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 2wgf_1_G DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.576 174.600 -0.041 0.000 1.055 2 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 2 S CB 0.000 63.182 63.200 -0.029 0.000 0.593 3 Q N 4.480 124.258 119.800 -0.037 0.000 2.279 3 Q HA 0.383 4.723 4.340 0.000 0.000 0.256 3 Q C -2.160 173.784 176.000 -0.094 0.000 0.937 3 Q CA -1.860 53.914 55.803 -0.048 0.000 0.933 3 Q CB 0.488 29.220 28.738 -0.009 0.000 1.189 3 Q HN 0.533 nan 8.270 nan 0.000 0.417 4 P HA -0.032 nan 4.420 nan 0.000 0.270 4 P C -0.434 176.652 177.300 -0.357 0.000 1.216 4 P CA 0.239 63.105 63.100 -0.390 0.000 0.788 4 P CB 0.628 31.901 31.700 -0.712 0.000 0.883 5 S N -1.737 113.762 115.700 -0.335 0.000 2.636 5 S HA 0.285 4.755 4.470 0.000 0.000 0.268 5 S C 0.798 175.526 174.600 0.213 0.000 1.159 5 S CA -0.499 57.749 58.200 0.081 0.000 0.815 5 S CB 0.703 63.964 63.200 0.101 0.000 1.130 5 S HN 0.322 nan 8.310 nan 0.000 0.471 6 T N 1.311 116.124 114.554 0.432 0.000 2.812 6 T HA 0.066 4.416 4.350 0.000 0.000 0.264 6 T C 2.168 176.980 174.700 0.186 0.000 1.042 6 T CA 1.723 64.038 62.100 0.358 0.000 1.140 6 T CB -0.893 68.192 68.868 0.362 0.000 0.870 6 T HN 0.867 nan 8.240 nan 0.000 0.445 7 A N 3.281 126.179 122.820 0.130 0.000 1.865 7 A HA -0.193 4.127 4.320 0.000 0.000 0.217 7 A C 2.077 179.696 177.584 0.058 0.000 1.191 7 A CA 2.100 54.186 52.037 0.081 0.000 0.623 7 A CB -0.749 18.277 19.000 0.043 0.000 0.826 7 A HN 0.657 nan 8.150 nan 0.000 0.444 8 N N -1.281 117.438 118.700 0.032 0.000 2.457 8 N HA 0.213 4.953 4.740 0.000 0.000 0.180 8 N C 1.072 176.580 175.510 -0.004 0.000 1.050 8 N CA 1.730 54.782 53.050 0.003 0.000 0.906 8 N CB -0.321 38.152 38.487 -0.023 0.000 0.968 8 N HN 0.996 nan 8.380 nan 0.000 0.445 9 G N -1.897 106.907 108.800 0.007 0.000 2.184 9 G HA2 -0.187 3.773 3.960 0.000 0.000 0.206 9 G HA3 -0.187 3.773 3.960 0.000 0.000 0.206 9 G C 1.008 175.879 174.900 -0.047 0.000 0.995 9 G CA 0.262 45.365 45.100 0.006 0.000 0.651 9 G HN 0.669 nan 8.290 nan 0.000 0.511 10 G N -0.218 108.495 108.800 -0.146 0.000 2.432 10 G HA2 0.257 4.217 3.960 0.000 0.000 0.219 10 G HA3 0.257 4.217 3.960 0.000 0.000 0.219 10 G C 0.499 175.169 174.900 -0.384 0.000 1.135 10 G CA 0.990 45.896 45.100 -0.325 0.000 0.767 10 G HN 0.445 nan 8.290 nan 0.000 0.550 11 F N 1.675 121.629 119.950 0.007 0.000 2.469 11 F HA 0.451 4.978 4.527 0.000 0.000 0.332 11 F C -1.705 174.096 175.800 0.001 0.000 1.103 11 F CA -3.366 54.613 58.000 -0.035 0.000 0.979 11 F CB 1.572 40.558 39.000 -0.024 0.000 1.137 11 F HN -0.154 nan 8.300 nan 0.000 0.463 12 P HA -0.029 nan 4.420 nan 0.000 0.271 12 P C -0.395 177.002 177.300 0.162 0.000 1.238 12 P CA -0.184 62.986 63.100 0.115 0.000 0.794 12 P CB 0.727 32.461 31.700 0.058 0.000 0.959 13 S N -0.264 115.528 115.700 0.154 0.000 2.513 13 S HA 0.346 4.816 4.470 0.000 0.000 0.276 13 S C -0.488 174.221 174.600 0.181 0.000 1.254 13 S CA -0.598 57.717 58.200 0.191 0.000 1.053 13 S CB -0.202 63.107 63.200 0.182 0.000 0.958 13 S HN 0.187 nan 8.310 nan 0.000 0.491 14 V N 6.548 126.599 119.914 0.229 0.000 2.407 14 V HA 0.470 4.590 4.120 0.000 0.000 0.291 14 V C 0.017 176.227 176.094 0.194 0.000 1.018 14 V CA -0.728 61.698 62.300 0.210 0.000 0.842 14 V CB 1.297 33.298 31.823 0.296 0.000 0.996 14 V HN 0.786 nan 8.190 nan 0.000 0.426 15 V N 3.214 123.204 119.914 0.126 0.000 2.975 15 V HA 0.749 4.869 4.120 0.000 0.000 0.318 15 V C -0.188 175.939 176.094 0.055 0.000 1.077 15 V CA -0.891 61.451 62.300 0.070 0.000 1.000 15 V CB 1.928 33.708 31.823 -0.072 0.000 1.066 15 V HN 0.429 nan 8.190 nan 0.000 0.452 16 V N 2.196 122.126 119.914 0.027 0.000 2.370 16 V HA 0.413 4.533 4.120 0.000 0.000 0.279 16 V C 1.171 177.231 176.094 -0.055 0.000 1.029 16 V CA 0.552 62.858 62.300 0.011 0.000 0.870 16 V CB 0.990 32.818 31.823 0.009 0.000 0.984 16 V HN 1.173 nan 8.190 nan 0.000 0.451 17 T N 0.667 115.193 114.554 -0.047 0.000 3.054 17 T HA 0.677 5.027 4.350 0.000 0.000 0.255 17 T C 0.245 174.900 174.700 -0.075 0.000 1.035 17 T CA 0.436 62.490 62.100 -0.077 0.000 0.941 17 T CB 0.451 69.278 68.868 -0.068 0.000 1.026 17 T HN 1.156 nan 8.240 nan 0.000 0.533 18 A N 0.599 123.386 122.820 -0.056 0.000 2.581 18 A HA 0.652 4.972 4.320 0.000 0.000 0.294 18 A C -1.300 176.261 177.584 -0.038 0.000 1.035 18 A CA -0.434 51.571 52.037 -0.053 0.000 0.684 18 A CB 1.070 20.039 19.000 -0.051 0.000 1.282 18 A HN 1.253 nan 8.150 nan 0.000 0.417 19 V N -1.504 118.383 119.914 -0.046 0.000 2.932 19 V HA 0.980 5.100 4.120 0.000 0.000 0.307 19 V C -0.567 175.509 176.094 -0.030 0.000 1.147 19 V CA -0.260 62.012 62.300 -0.046 0.000 0.951 19 V CB 1.356 33.120 31.823 -0.098 0.000 1.031 19 V HN 1.350 nan 8.190 nan 0.000 0.426 20 T N 1.688 116.233 114.554 -0.015 0.000 2.901 20 T HA 1.026 5.377 4.350 0.000 0.000 0.293 20 T C -0.270 174.425 174.700 -0.008 0.000 1.084 20 T CA -0.264 61.832 62.100 -0.006 0.000 1.008 20 T CB 1.774 70.647 68.868 0.009 0.000 1.170 20 T HN 2.060 nan 8.240 nan 0.000 0.509 21 A N 0.786 123.605 122.820 -0.002 0.000 2.586 21 A HA 0.694 5.014 4.320 0.000 0.000 0.296 21 A C -0.746 176.846 177.584 0.014 0.000 1.040 21 A CA -0.735 51.306 52.037 0.006 0.000 0.701 21 A CB 1.415 20.420 19.000 0.008 0.000 1.277 21 A HN 0.809 nan 8.150 nan 0.000 0.413 22 T N 0.904 115.471 114.554 0.021 0.000 2.829 22 T HA 0.828 5.178 4.350 0.000 0.000 0.280 22 T C 0.026 174.760 174.700 0.057 0.000 0.999 22 T CA 0.581 62.703 62.100 0.036 0.000 0.983 22 T CB 0.985 69.870 68.868 0.027 0.000 0.968 22 T HN 2.007 nan 8.240 nan 0.000 0.446 23 T N 0.059 114.656 114.554 0.072 0.000 2.716 23 T HA 0.443 4.793 4.350 0.000 0.000 0.286 23 T C 1.359 176.120 174.700 0.103 0.000 1.052 23 T CA 0.009 62.157 62.100 0.081 0.000 1.024 23 T CB 0.844 69.757 68.868 0.076 0.000 1.349 23 T HN 0.488 nan 8.240 nan 0.000 0.525 24 S N -0.413 115.351 115.700 0.107 0.000 2.515 24 S HA 0.102 4.572 4.470 0.000 0.000 0.231 24 S C 1.672 176.350 174.600 0.130 0.000 0.987 24 S CA 0.264 58.547 58.200 0.138 0.000 0.936 24 S CB -0.773 62.502 63.200 0.125 0.000 0.766 24 S HN 0.604 nan 8.310 nan 0.000 0.528 25 I N 0.087 120.718 120.570 0.103 0.000 2.927 25 I HA 0.191 4.361 4.170 0.000 0.000 0.268 25 I C 0.985 177.151 176.117 0.082 0.000 1.153 25 I CA 0.355 61.709 61.300 0.090 0.000 1.459 25 I CB 0.450 38.499 38.000 0.082 0.000 1.149 25 I HN 0.322 nan 8.210 nan 0.000 0.443 26 S N -0.934 114.816 115.700 0.082 0.000 2.565 26 S HA 0.327 4.798 4.470 0.000 0.000 0.274 26 S C -2.409 172.232 174.600 0.069 0.000 1.144 26 S CA -0.805 57.439 58.200 0.074 0.000 0.849 26 S CB 1.653 64.895 63.200 0.070 0.000 1.103 26 S HN -0.252 nan 8.310 nan 0.000 0.455 27 P HA 0.164 nan 4.420 nan 0.000 0.236 27 P C -0.451 176.867 177.300 0.031 0.000 1.177 27 P CA 0.518 63.644 63.100 0.044 0.000 0.773 27 P CB 0.044 31.776 31.700 0.053 0.000 0.878 28 D N -0.258 120.168 120.400 0.044 0.000 2.233 28 D HA 0.084 4.724 4.640 0.000 0.000 0.240 28 D C 0.915 177.247 176.300 0.055 0.000 1.074 28 D CA -0.613 53.412 54.000 0.042 0.000 0.838 28 D CB 0.951 41.779 40.800 0.047 0.000 1.124 28 D HN -0.210 nan 8.370 nan 0.000 0.475 29 I N 3.534 124.130 120.570 0.043 0.000 2.454 29 I HA -0.151 4.019 4.170 0.000 0.000 0.254 29 I C 1.481 177.658 176.117 0.100 0.000 1.156 29 I CA 1.523 62.854 61.300 0.052 0.000 1.433 29 I CB 0.105 38.108 38.000 0.005 0.000 1.082 29 I HN 0.360 nan 8.210 nan 0.000 0.432 30 E N 0.125 120.381 120.200 0.092 0.000 2.086 30 E HA -0.027 4.324 4.350 0.000 0.000 0.190 30 E C 2.297 178.984 176.600 0.146 0.000 0.975 30 E CA 1.197 57.680 56.400 0.139 0.000 0.813 30 E CB -0.434 29.323 29.700 0.094 0.000 0.768 30 E HN 0.426 nan 8.360 nan 0.000 0.457 31 S N 0.654 116.413 115.700 0.098 0.000 2.469 31 S HA -0.074 4.396 4.470 0.000 0.000 0.238 31 S C 1.916 176.569 174.600 0.088 0.000 0.998 31 S CA 1.127 59.375 58.200 0.079 0.000 0.957 31 S CB -0.098 63.139 63.200 0.061 0.000 0.764 31 S HN 0.246 nan 8.310 nan 0.000 0.514 32 T N 0.614 115.240 114.554 0.120 0.000 2.814 32 T HA -0.033 4.317 4.350 0.000 0.000 0.254 32 T C 1.341 176.152 174.700 0.185 0.000 1.037 32 T CA 0.464 62.645 62.100 0.135 0.000 1.143 32 T CB -0.277 68.673 68.868 0.137 0.000 0.866 32 T HN 0.626 nan 8.240 nan 0.000 0.431 33 W N 2.330 123.636 121.300 0.009 0.000 2.342 33 W HA -0.151 4.509 4.660 0.000 0.000 0.297 33 W C 1.800 178.313 176.519 -0.009 0.000 1.213 33 W CA 1.192 58.536 57.345 -0.002 0.000 1.251 33 W CB -0.060 29.394 29.460 -0.010 0.000 1.136 33 W HN 0.256 nan 8.180 nan 0.000 0.526 34 K N -0.338 120.060 120.400 -0.002 0.000 2.211 34 K HA -0.082 4.238 4.320 0.000 0.000 0.203 34 K C 2.306 178.837 176.600 -0.116 0.000 1.050 34 K CA 1.197 57.413 56.287 -0.117 0.000 0.945 34 K CB -0.665 31.831 32.500 -0.007 0.000 0.732 34 K HN 0.209 nan 8.250 nan 0.000 0.451 35 G N 1.218 109.990 108.800 -0.046 0.000 2.394 35 G HA2 -0.191 3.769 3.960 0.000 0.000 0.215 35 G HA3 -0.191 3.769 3.960 0.000 0.000 0.215 35 G C 1.441 176.301 174.900 -0.066 0.000 1.165 35 G CA 0.330 45.411 45.100 -0.031 0.000 0.784 35 G HN 0.082 nan 8.290 nan 0.000 0.535 36 L N -0.007 121.164 121.223 -0.087 0.000 2.083 36 L HA 0.018 4.358 4.340 0.000 0.000 0.209 36 L C 2.808 179.524 176.870 -0.257 0.000 1.083 36 L CA 0.504 55.276 54.840 -0.113 0.000 0.752 36 L CB -0.357 41.668 42.059 -0.057 0.000 0.899 36 L HN 0.186 nan 8.230 nan 0.000 0.433 37 L N -0.382 120.601 121.223 -0.400 0.000 2.201 37 L HA -0.103 4.238 4.340 0.000 0.000 0.212 37 L C 2.503 179.235 176.870 -0.229 0.000 1.105 37 L CA 0.791 55.379 54.840 -0.421 0.000 0.775 37 L CB -0.508 41.240 42.059 -0.519 0.000 0.913 37 L HN 0.208 nan 8.230 nan 0.000 0.440 38 A N -0.547 122.179 122.820 -0.158 0.000 2.251 38 A HA 0.330 4.651 4.320 0.000 0.000 0.209 38 A C 1.679 179.227 177.584 -0.059 0.000 1.187 38 A CA 0.653 52.637 52.037 -0.088 0.000 0.823 38 A CB -0.297 18.667 19.000 -0.060 0.000 0.846 38 A HN 0.482 nan 8.150 nan 0.000 0.486 39 G N -0.412 108.348 108.800 -0.066 0.000 2.136 39 G HA2 -0.223 3.737 3.960 0.000 0.000 0.242 39 G HA3 -0.223 3.737 3.960 0.000 0.000 0.242 39 G C -0.172 174.726 174.900 -0.004 0.000 0.989 39 G CA 0.291 45.373 45.100 -0.030 0.000 0.682 39 G HN 0.621 nan 8.290 nan 0.000 0.522 40 E N 0.254 120.451 120.200 -0.005 0.000 2.343 40 E HA 0.526 4.876 4.350 0.000 0.000 0.269 40 E C 0.120 176.741 176.600 0.035 0.000 1.047 40 E CA 0.219 56.629 56.400 0.017 0.000 0.874 40 E CB 1.325 31.035 29.700 0.017 0.000 1.033 40 E HN 0.176 nan 8.360 nan 0.000 0.409 41 S N 0.509 116.235 115.700 0.044 0.000 2.500 41 S HA 0.458 4.928 4.470 0.000 0.000 0.301 41 S C 0.573 175.214 174.600 0.069 0.000 1.092 41 S CA -0.509 57.722 58.200 0.053 0.000 1.030 41 S CB 1.404 64.632 63.200 0.047 0.000 1.031 41 S HN 0.613 nan 8.310 nan 0.000 0.483 42 G N 3.455 112.299 108.800 0.073 0.000 2.985 42 G HA2 0.168 4.128 3.960 0.000 0.000 0.209 42 G HA3 0.168 4.128 3.960 0.000 0.000 0.209 42 G C 0.311 175.276 174.900 0.107 0.000 1.165 42 G CA -0.010 45.153 45.100 0.104 0.000 0.776 42 G HN 0.605 nan 8.290 nan 0.000 0.541 43 I N 2.113 122.707 120.570 0.040 0.000 2.441 43 I HA 0.324 4.494 4.170 0.000 0.000 0.287 43 I C 0.529 176.645 176.117 -0.002 0.000 1.049 43 I CA -0.955 60.311 61.300 -0.058 0.000 1.381 43 I CB 0.187 38.160 38.000 -0.046 0.000 1.409 43 I HN 0.405 nan 8.210 nan 0.000 0.523 44 H N 3.418 122.501 119.070 0.021 0.000 3.218 44 H HA 0.882 5.439 4.556 0.000 0.000 0.303 44 H C -0.491 174.845 175.328 0.014 0.000 1.605 44 H CA -1.161 54.901 56.048 0.023 0.000 1.298 44 H CB 0.502 30.286 29.762 0.037 0.000 1.856 44 H HN 0.577 nan 8.280 nan 0.000 0.656 45 A N 0.604 123.562 122.820 0.231 0.000 2.340 45 A HA 0.444 4.764 4.320 0.000 0.000 0.268 45 A C -0.425 177.298 177.584 0.232 0.000 1.100 45 A CA -0.704 51.418 52.037 0.143 0.000 0.803 45 A CB -0.128 18.930 19.000 0.097 0.000 1.043 45 A HN 0.563 nan 8.150 nan 0.000 0.488 46 L N 2.278 123.562 121.223 0.102 0.000 2.268 46 L HA 0.247 4.588 4.340 0.000 0.000 0.289 46 L C 0.573 177.463 176.870 0.033 0.000 1.064 46 L CA -0.236 54.659 54.840 0.093 0.000 0.824 46 L CB 0.897 42.957 42.059 0.002 0.000 1.202 46 L HN 0.798 nan 8.230 nan 0.000 0.433 47 E N 0.922 121.158 120.200 0.060 0.000 2.479 47 E HA 0.039 4.389 4.350 0.000 0.000 0.193 47 E C -0.279 176.278 176.600 -0.072 0.000 1.049 47 E CA 0.034 56.430 56.400 -0.006 0.000 0.870 47 E CB 0.258 29.962 29.700 0.007 0.000 0.944 47 E HN 0.587 nan 8.360 nan 0.000 0.492 48 D N 1.820 122.135 120.400 -0.141 0.000 2.472 48 D HA -0.056 4.584 4.640 0.000 0.000 0.248 48 D C 0.862 176.928 176.300 -0.389 0.000 1.174 48 D CA 0.389 54.191 54.000 -0.329 0.000 0.883 48 D CB 1.052 41.412 40.800 -0.733 0.000 1.149 48 D HN -0.043 nan 8.370 nan 0.000 0.488 49 E N 1.438 121.532 120.200 -0.177 0.000 2.516 49 E HA -0.090 4.260 4.350 0.000 0.000 0.199 49 E C 1.230 177.816 176.600 -0.023 0.000 1.069 49 E CA 0.137 56.485 56.400 -0.088 0.000 0.876 49 E CB -0.290 29.393 29.700 -0.029 0.000 0.843 49 E HN 0.528 nan 8.360 nan 0.000 0.530 50 F N -2.693 117.317 119.950 0.101 0.000 2.804 50 F HA 0.173 4.700 4.527 0.000 0.000 0.303 50 F C 1.112 177.060 175.800 0.247 0.000 1.154 50 F CA -0.068 58.039 58.000 0.177 0.000 1.401 50 F CB -0.567 38.615 39.000 0.303 0.000 1.106 50 F HN -0.132 nan 8.300 nan 0.000 0.568 51 V N 0.579 120.481 119.914 -0.020 0.000 2.575 51 V HA -0.132 3.989 4.120 0.000 0.000 0.242 51 V C 2.472 178.626 176.094 0.099 0.000 1.045 51 V CA 2.002 64.341 62.300 0.065 0.000 1.065 51 V CB -0.440 31.327 31.823 -0.094 0.000 0.717 51 V HN 0.574 nan 8.190 nan 0.000 0.467 52 T N -2.282 112.288 114.554 0.027 0.000 3.054 52 T HA -0.056 4.294 4.350 0.000 0.000 0.259 52 T C 1.762 176.456 174.700 -0.010 0.000 1.092 52 T CA 0.910 63.021 62.100 0.018 0.000 1.121 52 T CB -0.030 68.832 68.868 -0.009 0.000 0.912 52 T HN 0.371 nan 8.240 nan 0.000 0.489 53 K N 0.211 120.578 120.400 -0.055 0.000 2.057 53 K HA -0.070 4.250 4.320 0.000 0.000 0.207 53 K C 1.207 177.613 176.600 -0.323 0.000 1.049 53 K CA 1.318 57.459 56.287 -0.243 0.000 0.931 53 K CB -0.157 32.124 32.500 -0.365 0.000 0.714 53 K HN 0.581 nan 8.250 nan 0.000 0.440 54 W N 0.745 122.112 121.300 0.111 0.000 3.220 54 W HA 0.131 4.791 4.660 0.000 0.000 0.328 54 W C -0.110 176.456 176.519 0.078 0.000 1.205 54 W CA -0.402 57.002 57.345 0.098 0.000 1.773 54 W CB 0.560 30.097 29.460 0.128 0.000 1.086 54 W HN 0.187 nan 8.180 nan 0.000 0.622 55 D N 1.179 121.712 120.400 0.221 0.000 2.708 55 D HA -0.200 4.440 4.640 0.000 0.000 0.236 55 D C -0.077 176.320 176.300 0.161 0.000 1.146 55 D CA 0.587 54.674 54.000 0.146 0.000 0.662 55 D CB -1.195 39.668 40.800 0.105 0.000 1.059 55 D HN 0.095 nan 8.370 nan 0.000 0.428 56 L N -0.460 120.890 121.223 0.211 0.000 2.543 56 L HA 0.152 4.492 4.340 0.000 0.000 0.285 56 L C 2.185 179.118 176.870 0.106 0.000 1.236 56 L CA 0.329 55.277 54.840 0.180 0.000 0.871 56 L CB 0.215 42.414 42.059 0.234 0.000 1.121 56 L HN 0.181 nan 8.230 nan 0.000 0.501 57 A N 3.556 126.420 122.820 0.074 0.000 1.969 57 A HA 0.032 4.352 4.320 0.000 0.000 0.218 57 A C 0.809 178.404 177.584 0.018 0.000 1.169 57 A CA 0.718 52.776 52.037 0.036 0.000 0.635 57 A CB -0.135 18.875 19.000 0.016 0.000 0.810 57 A HN 0.417 nan 8.150 nan 0.000 0.445 58 V N 0.083 120.012 119.914 0.025 0.000 2.439 58 V HA 0.316 4.436 4.120 0.000 0.000 0.282 58 V C 0.208 176.325 176.094 0.038 0.000 1.039 58 V CA -0.279 62.023 62.300 0.003 0.000 0.913 58 V CB 1.312 33.116 31.823 -0.032 0.000 0.983 58 V HN 0.452 nan 8.190 nan 0.000 0.460 59 K N 5.234 125.641 120.400 0.012 0.000 2.734 59 K HA 0.458 4.778 4.320 0.000 0.000 0.200 59 K C -0.409 176.189 176.600 -0.003 0.000 1.120 59 K CA -0.078 56.217 56.287 0.014 0.000 1.067 59 K CB 0.646 33.153 32.500 0.013 0.000 0.771 59 K HN 0.751 nan 8.250 nan 0.000 0.481 60 I N -4.138 116.418 120.570 -0.022 0.000 3.191 60 I HA 0.888 5.059 4.170 0.000 0.000 0.313 60 I C -0.232 175.824 176.117 -0.101 0.000 1.193 60 I CA -0.968 60.295 61.300 -0.061 0.000 0.968 60 I CB 2.352 40.318 38.000 -0.057 0.000 1.262 60 I HN 0.071 nan 8.210 nan 0.000 0.456 61 G N 0.619 109.294 108.800 -0.208 0.000 2.357 61 G HA2 0.454 4.414 3.960 0.000 0.000 0.289 61 G HA3 0.454 4.414 3.960 0.000 0.000 0.289 61 G C -1.222 173.339 174.900 -0.564 0.000 1.302 61 G CA -0.308 44.653 45.100 -0.232 0.000 0.936 61 G HN 1.275 nan 8.290 nan 0.000 0.513 62 G N -0.376 108.186 108.800 -0.396 0.000 2.730 62 G HA2 0.621 4.581 3.960 0.000 0.000 0.291 62 G HA3 0.621 4.581 3.960 0.000 0.000 0.291 62 G C -0.585 174.267 174.900 -0.079 0.000 1.456 62 G CA -0.510 44.382 45.100 -0.346 0.000 0.996 62 G HN 0.653 nan 8.290 nan 0.000 0.528 63 H N 1.551 120.802 119.070 0.301 0.000 2.607 63 H HA 0.199 4.755 4.556 0.000 0.000 0.367 63 H C 0.988 176.435 175.328 0.198 0.000 1.181 63 H CA -0.047 56.139 56.048 0.231 0.000 1.402 63 H CB 1.379 31.285 29.762 0.241 0.000 1.474 63 H HN 0.274 nan 8.280 nan 0.000 0.596 64 L N 1.702 123.096 121.223 0.286 0.000 2.529 64 L HA -0.144 4.196 4.340 0.000 0.000 0.287 64 L C 1.854 178.834 176.870 0.184 0.000 1.241 64 L CA 0.146 55.105 54.840 0.199 0.000 0.857 64 L CB 0.304 42.470 42.059 0.178 0.000 1.113 64 L HN 0.582 nan 8.230 nan 0.000 0.504 65 K N 1.324 121.809 120.400 0.142 0.000 2.057 65 K HA -0.124 4.196 4.320 0.000 0.000 0.207 65 K C 0.412 177.071 176.600 0.098 0.000 1.049 65 K CA 1.346 57.699 56.287 0.110 0.000 0.931 65 K CB 0.072 32.628 32.500 0.093 0.000 0.714 65 K HN 0.526 nan 8.250 nan 0.000 0.440 66 D N 0.470 120.938 120.400 0.115 0.000 2.414 66 D HA 0.254 4.894 4.640 0.000 0.000 0.232 66 D C -2.646 173.745 176.300 0.151 0.000 1.070 66 D CA -2.559 51.521 54.000 0.134 0.000 0.839 66 D CB 1.224 42.134 40.800 0.183 0.000 1.079 66 D HN -0.075 nan 8.370 nan 0.000 0.521 67 P HA -0.026 nan 4.420 nan 0.000 0.263 67 P C 1.265 178.668 177.300 0.170 0.000 1.195 67 P CA -0.308 62.873 63.100 0.135 0.000 0.762 67 P CB 1.047 32.796 31.700 0.082 0.000 0.799 68 V N 2.736 122.740 119.914 0.150 0.000 2.380 68 V HA -0.239 3.881 4.120 0.000 0.000 0.251 68 V C 1.408 177.566 176.094 0.106 0.000 1.063 68 V CA 2.040 64.391 62.300 0.084 0.000 1.055 68 V CB -0.726 31.021 31.823 -0.126 0.000 0.657 68 V HN 0.569 nan 8.190 nan 0.000 0.455 69 D N -0.318 120.135 120.400 0.087 0.000 2.363 69 D HA -0.047 4.593 4.640 0.000 0.000 0.220 69 D C 2.229 178.553 176.300 0.041 0.000 0.994 69 D CA 1.200 55.235 54.000 0.060 0.000 0.890 69 D CB 0.008 40.853 40.800 0.075 0.000 0.906 69 D HN 0.638 nan 8.370 nan 0.000 0.530 70 S N -0.714 115.003 115.700 0.027 0.000 2.489 70 S HA -0.095 4.375 4.470 0.000 0.000 0.228 70 S C 1.264 175.751 174.600 -0.188 0.000 0.995 70 S CA 0.429 58.579 58.200 -0.083 0.000 0.934 70 S CB -0.393 62.729 63.200 -0.130 0.000 0.771 70 S HN 0.301 nan 8.310 nan 0.000 0.522 71 H N 0.327 119.396 119.070 -0.002 0.000 2.529 71 H HA 0.439 4.995 4.556 0.000 0.000 0.277 71 H C -0.069 175.252 175.328 -0.011 0.000 1.004 71 H CA 0.061 56.105 56.048 -0.005 0.000 1.167 71 H CB 0.104 29.861 29.762 -0.008 0.000 1.445 71 H HN 0.289 nan 8.280 nan 0.000 0.554 72 M N 0.505 120.144 119.600 0.065 0.000 2.383 72 M HA 0.376 4.856 4.480 0.000 0.000 0.325 72 M C 0.785 177.096 176.300 0.018 0.000 1.092 72 M CA -0.559 54.763 55.300 0.036 0.000 0.961 72 M CB 1.815 34.427 32.600 0.021 0.000 1.672 72 M HN 0.226 nan 8.290 nan 0.000 0.438 73 G N 1.289 110.098 108.800 0.016 0.000 2.557 73 G HA2 0.423 4.383 3.960 0.000 0.000 0.292 73 G HA3 0.423 4.383 3.960 0.000 0.000 0.292 73 G C 0.601 175.507 174.900 0.010 0.000 1.237 73 G CA -0.332 44.774 45.100 0.011 0.000 0.978 73 G HN 0.824 nan 8.290 nan 0.000 0.498 74 R N -0.890 119.615 120.500 0.009 0.000 2.148 74 R HA 0.123 4.463 4.340 0.000 0.000 0.223 74 R C 2.430 178.735 176.300 0.010 0.000 1.088 74 R CA 0.615 56.721 56.100 0.010 0.000 0.985 74 R CB -0.299 30.006 30.300 0.008 0.000 0.880 74 R HN 0.523 nan 8.270 nan 0.000 0.451 75 L N 0.348 121.576 121.223 0.008 0.000 1.976 75 L HA -0.223 4.117 4.340 0.000 0.000 0.209 75 L C 1.444 178.318 176.870 0.006 0.000 1.071 75 L CA 1.650 56.494 54.840 0.007 0.000 0.746 75 L CB -0.390 41.672 42.059 0.005 0.000 0.890 75 L HN 0.271 nan 8.230 nan 0.000 0.432 76 D N -0.535 119.868 120.400 0.005 0.000 2.218 76 D HA -0.182 4.458 4.640 0.000 0.000 0.204 76 D C 2.145 178.449 176.300 0.006 0.000 0.976 76 D CA 1.038 55.040 54.000 0.002 0.000 0.853 76 D CB -0.015 40.784 40.800 -0.001 0.000 0.939 76 D HN 0.251 nan 8.370 nan 0.000 0.481 77 M N -0.096 119.511 119.600 0.013 0.000 2.476 77 M HA 0.009 4.489 4.480 0.000 0.000 0.262 77 M C 1.606 177.920 176.300 0.024 0.000 1.079 77 M CA 0.845 56.158 55.300 0.022 0.000 1.104 77 M CB -0.271 32.344 32.600 0.025 0.000 1.409 77 M HN 0.016 nan 8.290 nan 0.000 0.467 78 R N -0.626 119.884 120.500 0.018 0.000 2.206 78 R HA 0.128 4.468 4.340 0.000 0.000 0.198 78 R C 1.752 178.061 176.300 0.015 0.000 0.986 78 R CA 0.380 56.490 56.100 0.017 0.000 1.029 78 R CB 0.287 30.596 30.300 0.014 0.000 0.966 78 R HN 0.295 nan 8.270 nan 0.000 0.487 79 R N -0.638 119.868 120.500 0.011 0.000 2.365 79 R HA 0.327 4.668 4.340 0.000 0.000 0.223 79 R C 0.282 176.584 176.300 0.004 0.000 0.899 79 R CA 0.190 56.294 56.100 0.006 0.000 1.059 79 R CB 0.664 30.965 30.300 0.002 0.000 1.086 79 R HN 0.030 nan 8.270 nan 0.000 0.522 80 M N 0.061 119.665 119.600 0.007 0.000 2.644 80 M HA 0.272 4.752 4.480 0.000 0.000 0.304 80 M C -0.276 176.036 176.300 0.020 0.000 1.215 80 M CA -0.776 54.526 55.300 0.004 0.000 0.871 80 M CB 2.476 35.069 32.600 -0.011 0.000 1.740 80 M HN -0.061 nan 8.290 nan 0.000 0.464 81 S N 0.053 115.769 115.700 0.028 0.000 2.672 81 S HA 0.240 4.710 4.470 0.000 0.000 0.276 81 S C 0.744 175.394 174.600 0.084 0.000 1.207 81 S CA -0.564 57.674 58.200 0.062 0.000 1.002 81 S CB 0.713 63.949 63.200 0.061 0.000 0.998 81 S HN 0.794 nan 8.310 nan 0.000 0.542 82 Y N 2.052 122.356 120.300 0.006 0.000 2.062 82 Y HA -0.274 4.276 4.550 0.000 0.000 0.276 82 Y C 2.136 178.039 175.900 0.006 0.000 1.189 82 Y CA 2.826 60.931 58.100 0.009 0.000 1.130 82 Y CB -0.804 37.661 38.460 0.008 0.000 0.959 82 Y HN 0.543 nan 8.280 nan 0.000 0.499 83 V N -1.664 118.353 119.914 0.171 0.000 2.759 83 V HA -0.217 3.903 4.120 0.000 0.000 0.256 83 V C 1.763 177.842 176.094 -0.025 0.000 1.080 83 V CA 1.892 64.240 62.300 0.081 0.000 1.101 83 V CB -0.870 31.025 31.823 0.121 0.000 0.698 83 V HN 0.505 nan 8.190 nan 0.000 0.477 84 Q N 0.166 119.951 119.800 -0.026 0.000 2.245 84 Q HA 0.028 4.368 4.340 0.000 0.000 0.201 84 Q C 2.457 178.411 176.000 -0.077 0.000 0.955 84 Q CA 1.089 56.867 55.803 -0.042 0.000 0.870 84 Q CB -0.069 28.654 28.738 -0.024 0.000 0.945 84 Q HN 0.643 nan 8.270 nan 0.000 0.461 85 R N 0.086 120.512 120.500 -0.124 0.000 2.119 85 R HA 0.030 4.371 4.340 0.000 0.000 0.222 85 R C 2.211 178.386 176.300 -0.209 0.000 1.088 85 R CA 0.901 56.907 56.100 -0.158 0.000 0.984 85 R CB -0.182 30.012 30.300 -0.177 0.000 0.884 85 R HN 0.286 nan 8.270 nan 0.000 0.447 86 M N 0.408 119.827 119.600 -0.302 0.000 2.132 86 M HA -0.044 4.436 4.480 0.000 0.000 0.263 86 M C 2.039 178.268 176.300 -0.118 0.000 1.065 86 M CA 2.079 57.236 55.300 -0.239 0.000 1.122 86 M CB -0.313 32.140 32.600 -0.245 0.000 1.365 86 M HN 0.182 nan 8.290 nan 0.000 0.411 87 G N 0.636 109.383 108.800 -0.089 0.000 2.446 87 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 87 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 87 G C 1.603 176.472 174.900 -0.052 0.000 1.168 87 G CA 1.149 46.216 45.100 -0.054 0.000 0.771 87 G HN 0.515 nan 8.290 nan 0.000 0.551 88 K N -0.399 119.965 120.400 -0.060 0.000 2.057 88 K HA -0.052 4.269 4.320 0.000 0.000 0.207 88 K C 2.448 179.023 176.600 -0.043 0.000 1.049 88 K CA 1.150 57.408 56.287 -0.049 0.000 0.931 88 K CB -0.255 32.217 32.500 -0.046 0.000 0.714 88 K HN 0.260 nan 8.250 nan 0.000 0.440 89 L N 1.613 122.798 121.223 -0.064 0.000 1.989 89 L HA -0.170 4.170 4.340 0.000 0.000 0.211 89 L C 1.947 178.781 176.870 -0.060 0.000 1.071 89 L CA 1.677 56.471 54.840 -0.077 0.000 0.749 89 L CB -0.535 41.451 42.059 -0.123 0.000 0.890 89 L HN 0.199 nan 8.230 nan 0.000 0.431 90 L N -0.826 120.367 121.223 -0.050 0.000 2.141 90 L HA -0.046 4.294 4.340 0.000 0.000 0.209 90 L C 2.547 179.427 176.870 0.016 0.000 1.094 90 L CA 0.930 55.758 54.840 -0.021 0.000 0.763 90 L CB -1.466 40.583 42.059 -0.017 0.000 0.908 90 L HN 0.466 nan 8.230 nan 0.000 0.437 91 G N 0.340 109.147 108.800 0.011 0.000 2.459 91 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 91 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 91 G C 1.603 176.551 174.900 0.081 0.000 1.183 91 G CA 0.857 45.978 45.100 0.036 0.000 0.776 91 G HN 0.465 nan 8.290 nan 0.000 0.552 92 G N 0.123 108.954 108.800 0.052 0.000 2.446 92 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 92 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 92 G C 1.844 176.809 174.900 0.109 0.000 1.168 92 G CA 1.185 46.335 45.100 0.084 0.000 0.771 92 G HN 0.525 nan 8.290 nan 0.000 0.551 93 Q N -0.707 119.128 119.800 0.058 0.000 2.119 93 Q HA -0.003 4.337 4.340 0.000 0.000 0.201 93 Q C 2.486 178.527 176.000 0.068 0.000 0.972 93 Q CA 0.930 56.758 55.803 0.043 0.000 0.847 93 Q CB -0.227 28.511 28.738 -0.001 0.000 0.903 93 Q HN 0.416 nan 8.270 nan 0.000 0.433 94 L N -0.076 121.208 121.223 0.102 0.000 2.027 94 L HA -0.142 4.198 4.340 0.000 0.000 0.206 94 L C 1.844 178.821 176.870 0.177 0.000 1.074 94 L CA 1.739 56.653 54.840 0.123 0.000 0.745 94 L CB -0.597 41.554 42.059 0.154 0.000 0.898 94 L HN 0.391 nan 8.230 nan 0.000 0.433 95 W N 0.642 121.943 121.300 0.002 0.000 2.388 95 W HA -0.222 4.438 4.660 0.000 0.000 0.294 95 W C 2.364 178.876 176.519 -0.012 0.000 1.212 95 W CA 1.598 58.941 57.345 -0.004 0.000 1.271 95 W CB 0.113 29.581 29.460 0.014 0.000 1.126 95 W HN 0.479 nan 8.180 nan 0.000 0.535 96 E N -0.277 119.995 120.200 0.119 0.000 2.152 96 E HA -0.161 4.189 4.350 0.000 0.000 0.192 96 E C 1.927 178.500 176.600 -0.045 0.000 0.983 96 E CA 1.474 57.884 56.400 0.017 0.000 0.818 96 E CB -0.365 29.367 29.700 0.053 0.000 0.758 96 E HN -0.080 nan 8.360 nan 0.000 0.467 97 S N -0.145 115.537 115.700 -0.029 0.000 2.481 97 S HA 0.069 4.539 4.470 0.000 0.000 0.231 97 S C 1.568 176.108 174.600 -0.100 0.000 0.996 97 S CA 0.652 58.822 58.200 -0.049 0.000 0.942 97 S CB 0.193 63.379 63.200 -0.023 0.000 0.768 97 S HN 0.456 nan 8.310 nan 0.000 0.520 98 A N 0.242 122.961 122.820 -0.168 0.000 2.307 98 A HA 0.533 4.853 4.320 0.000 0.000 0.218 98 A C 1.386 178.786 177.584 -0.307 0.000 1.228 98 A CA 0.489 52.375 52.037 -0.252 0.000 0.857 98 A CB -0.602 18.184 19.000 -0.358 0.000 0.897 98 A HN 0.747 nan 8.150 nan 0.000 0.495 99 G N -0.845 107.805 108.800 -0.250 0.000 2.149 99 G HA2 -0.164 3.796 3.960 0.000 0.000 0.235 99 G HA3 -0.164 3.796 3.960 0.000 0.000 0.235 99 G C 0.438 175.157 174.900 -0.302 0.000 1.018 99 G CA 0.378 45.345 45.100 -0.221 0.000 0.728 99 G HN 1.207 nan 8.290 nan 0.000 0.508 100 S N -0.070 115.367 115.700 -0.438 0.000 3.410 100 S HA -0.160 4.310 4.470 0.000 0.000 0.369 100 S C -0.768 173.515 174.600 -0.528 0.000 0.961 100 S CA 1.005 58.871 58.200 -0.555 0.000 1.248 100 S CB -0.876 62.251 63.200 -0.122 0.000 0.914 100 S HN 1.001 nan 8.310 nan 0.000 0.497 101 P HA 0.073 nan 4.420 nan 0.000 0.270 101 P C -0.122 177.098 177.300 -0.132 0.000 1.221 101 P CA 0.304 63.143 63.100 -0.434 0.000 0.788 101 P CB 0.525 31.896 31.700 -0.548 0.000 0.904 102 E N 0.677 120.859 120.200 -0.029 0.000 2.063 102 E HA 0.288 4.638 4.350 0.000 0.000 0.265 102 E C -0.022 176.628 176.600 0.084 0.000 0.919 102 E CA -0.646 55.802 56.400 0.080 0.000 0.756 102 E CB 1.422 31.148 29.700 0.045 0.000 1.120 102 E HN 0.275 nan 8.360 nan 0.000 0.414 103 V N -0.088 119.918 119.914 0.155 0.000 3.093 103 V HA 0.467 4.588 4.120 0.000 0.000 0.320 103 V C 0.055 176.234 176.094 0.142 0.000 1.093 103 V CA -1.018 61.372 62.300 0.150 0.000 1.016 103 V CB 2.030 33.903 31.823 0.083 0.000 1.096 103 V HN 0.309 nan 8.190 nan 0.000 0.452 104 D N 2.969 123.463 120.400 0.156 0.000 2.365 104 D HA 0.382 5.022 4.640 0.000 0.000 0.237 104 D C -1.302 175.103 176.300 0.175 0.000 1.190 104 D CA -2.220 51.863 54.000 0.138 0.000 0.867 104 D CB 1.619 42.490 40.800 0.119 0.000 1.050 104 D HN 0.428 nan 8.370 nan 0.000 0.491 105 P HA -0.155 nan 4.420 nan 0.000 0.216 105 P C 0.449 177.833 177.300 0.140 0.000 1.150 105 P CA 0.889 64.115 63.100 0.210 0.000 0.843 105 P CB 0.414 32.191 31.700 0.129 0.000 0.787 106 D N -0.779 119.679 120.400 0.097 0.000 2.350 106 D HA -0.079 4.561 4.640 0.000 0.000 0.216 106 D C 1.462 177.805 176.300 0.071 0.000 0.968 106 D CA 0.747 54.785 54.000 0.063 0.000 0.894 106 D CB -0.159 40.671 40.800 0.049 0.000 0.909 106 D HN 0.159 nan 8.370 nan 0.000 0.520 107 R N -0.237 120.330 120.500 0.113 0.000 2.543 107 R HA 0.140 4.480 4.340 0.000 0.000 0.323 107 R C -0.284 176.116 176.300 0.168 0.000 1.002 107 R CA -0.429 55.734 56.100 0.105 0.000 1.106 107 R CB 0.062 30.418 30.300 0.094 0.000 1.280 107 R HN 0.033 nan 8.270 nan 0.000 0.549 108 F N 1.820 121.764 119.950 -0.009 0.000 2.347 108 F HA 0.660 5.188 4.527 0.000 0.000 0.366 108 F C -0.734 175.047 175.800 -0.032 0.000 1.107 108 F CA -2.370 55.620 58.000 -0.017 0.000 1.058 108 F CB 0.745 39.744 39.000 -0.002 0.000 1.236 108 F HN -0.014 nan 8.300 nan 0.000 0.456 109 A N 5.132 127.969 122.820 0.029 0.000 2.320 109 A HA 0.830 5.150 4.320 0.000 0.000 0.334 109 A C -1.401 176.045 177.584 -0.231 0.000 1.147 109 A CA -0.647 51.292 52.037 -0.162 0.000 0.820 109 A CB 1.442 20.416 19.000 -0.043 0.000 1.218 109 A HN 0.507 nan 8.150 nan 0.000 0.482 110 V N 1.469 121.226 119.914 -0.263 0.000 2.495 110 V HA 0.534 4.654 4.120 0.000 0.000 0.298 110 V C -0.773 175.270 176.094 -0.086 0.000 1.031 110 V CA -0.367 61.826 62.300 -0.178 0.000 0.871 110 V CB 1.761 33.431 31.823 -0.256 0.000 0.988 110 V HN 0.656 nan 8.190 nan 0.000 0.432 111 V N 5.415 125.314 119.914 -0.025 0.000 2.445 111 V HA 0.497 4.617 4.120 0.000 0.000 0.283 111 V C -0.589 175.510 176.094 0.008 0.000 1.014 111 V CA -0.469 61.829 62.300 -0.004 0.000 0.852 111 V CB 1.592 33.441 31.823 0.043 0.000 1.021 111 V HN 0.567 nan 8.190 nan 0.000 0.435 112 V N 3.144 123.050 119.914 -0.012 0.000 2.588 112 V HA 0.857 4.977 4.120 0.000 0.000 0.304 112 V C 0.672 176.761 176.094 -0.007 0.000 1.042 112 V CA -0.315 61.983 62.300 -0.003 0.000 0.877 112 V CB 2.108 33.924 31.823 -0.013 0.000 0.996 112 V HN 0.848 nan 8.190 nan 0.000 0.425 113 G N 2.426 111.228 108.800 0.004 0.000 2.434 113 G HA2 0.778 4.738 3.960 0.000 0.000 0.330 113 G HA3 0.778 4.738 3.960 0.000 0.000 0.330 113 G C -0.550 174.353 174.900 0.004 0.000 1.155 113 G CA -0.368 44.732 45.100 -0.001 0.000 0.917 113 G HN 0.706 nan 8.290 nan 0.000 0.493 114 T N -0.835 113.720 114.554 0.001 0.000 2.864 114 T HA 0.543 4.893 4.350 0.000 0.000 0.299 114 T C 1.157 175.865 174.700 0.013 0.000 1.166 114 T CA 0.090 62.198 62.100 0.013 0.000 1.007 114 T CB 1.716 70.594 68.868 0.017 0.000 1.219 114 T HN 0.638 nan 8.240 nan 0.000 0.506 115 G N -0.423 108.393 108.800 0.028 0.000 2.396 115 G HA2 0.197 4.157 3.960 0.000 0.000 0.214 115 G HA3 0.197 4.157 3.960 0.000 0.000 0.214 115 G C 0.825 175.751 174.900 0.043 0.000 1.166 115 G CA 0.404 45.529 45.100 0.042 0.000 0.793 115 G HN 0.537 nan 8.290 nan 0.000 0.533 116 L N -2.069 119.177 121.223 0.037 0.000 3.534 116 L HA 0.590 4.930 4.340 0.000 0.000 0.174 116 L C 1.115 177.996 176.870 0.019 0.000 1.215 116 L CA 0.817 55.676 54.840 0.030 0.000 0.857 116 L CB 0.834 42.914 42.059 0.034 0.000 1.502 116 L HN 0.429 nan 8.230 nan 0.000 0.614 117 G N -1.338 107.476 108.800 0.023 0.000 2.441 117 G HA2 0.089 4.049 3.960 0.000 0.000 0.222 117 G HA3 0.089 4.049 3.960 0.000 0.000 0.222 117 G C -0.373 174.547 174.900 0.032 0.000 1.254 117 G CA -0.187 44.926 45.100 0.022 0.000 0.959 117 G HN 0.350 nan 8.290 nan 0.000 0.474 118 G N 0.649 109.466 108.800 0.029 0.000 3.574 118 G HA2 0.559 4.519 3.960 0.000 0.000 0.262 118 G HA3 0.559 4.519 3.960 0.000 0.000 0.262 118 G C 1.215 176.131 174.900 0.028 0.000 1.231 118 G CA 1.337 46.460 45.100 0.039 0.000 1.608 118 G HN 1.548 nan 8.290 nan 0.000 0.628 119 A N 0.659 123.490 122.820 0.017 0.000 2.125 119 A HA -0.006 4.314 4.320 0.000 0.000 0.219 119 A C 2.104 179.690 177.584 0.003 0.000 1.156 119 A CA 1.619 53.658 52.037 0.003 0.000 0.671 119 A CB -0.028 18.968 19.000 -0.007 0.000 0.794 119 A HN 0.478 nan 8.150 nan 0.000 0.459 120 E N 0.203 120.409 120.200 0.010 0.000 2.118 120 E HA -0.176 4.174 4.350 0.000 0.000 0.195 120 E C 1.917 178.534 176.600 0.029 0.000 0.992 120 E CA 1.168 57.576 56.400 0.014 0.000 0.804 120 E CB -0.226 29.489 29.700 0.025 0.000 0.741 120 E HN 0.399 nan 8.360 nan 0.000 0.458 121 R N 0.339 120.859 120.500 0.033 0.000 2.236 121 R HA 0.092 4.432 4.340 0.000 0.000 0.208 121 R C 2.194 178.519 176.300 0.041 0.000 1.036 121 R CA 0.591 56.713 56.100 0.037 0.000 1.001 121 R CB -0.365 29.955 30.300 0.034 0.000 0.896 121 R HN 0.339 nan 8.270 nan 0.000 0.464 122 I N 0.736 121.325 120.570 0.031 0.000 2.163 122 I HA -0.214 3.957 4.170 0.000 0.000 0.240 122 I C 2.300 178.458 176.117 0.067 0.000 1.081 122 I CA 1.275 62.594 61.300 0.031 0.000 1.353 122 I CB -0.429 37.567 38.000 -0.007 0.000 1.054 122 I HN -0.074 nan 8.210 nan 0.000 0.407 123 V N -1.372 118.573 119.914 0.053 0.000 2.970 123 V HA -0.161 3.959 4.120 0.000 0.000 0.260 123 V C 2.101 178.284 176.094 0.147 0.000 1.100 123 V CA 1.726 64.091 62.300 0.108 0.000 1.122 123 V CB -0.759 31.095 31.823 0.052 0.000 0.721 123 V HN 0.555 nan 8.190 nan 0.000 0.483 124 E N 0.994 121.250 120.200 0.095 0.000 2.086 124 E HA -0.102 4.248 4.350 0.000 0.000 0.190 124 E C 2.171 178.814 176.600 0.072 0.000 0.975 124 E CA 1.115 57.559 56.400 0.074 0.000 0.813 124 E CB 0.009 29.741 29.700 0.053 0.000 0.768 124 E HN 0.623 nan 8.360 nan 0.000 0.457 125 S N 0.024 115.772 115.700 0.080 0.000 2.387 125 S HA -0.129 4.341 4.470 0.000 0.000 0.226 125 S C 1.564 176.222 174.600 0.097 0.000 1.026 125 S CA 0.928 59.171 58.200 0.071 0.000 0.972 125 S CB -0.471 62.767 63.200 0.064 0.000 0.814 125 S HN 0.446 nan 8.310 nan 0.000 0.477 126 Y N 2.529 122.831 120.300 0.004 0.000 2.128 126 Y HA -0.243 4.307 4.550 0.000 0.000 0.284 126 Y C 1.949 177.852 175.900 0.006 0.000 1.154 126 Y CA 1.796 59.898 58.100 0.003 0.000 1.149 126 Y CB -0.193 38.267 38.460 0.000 0.000 0.976 126 Y HN 0.158 nan 8.280 nan 0.000 0.505 127 D N 0.206 120.603 120.400 -0.006 0.000 2.117 127 D HA -0.150 4.490 4.640 0.000 0.000 0.198 127 D C 2.195 178.447 176.300 -0.079 0.000 0.982 127 D CA 1.358 55.309 54.000 -0.083 0.000 0.828 127 D CB -0.305 40.506 40.800 0.017 0.000 0.967 127 D HN 0.414 nan 8.370 nan 0.000 0.464 128 L N 0.142 121.346 121.223 -0.030 0.000 2.201 128 L HA -0.054 4.287 4.340 0.000 0.000 0.212 128 L C 2.384 179.230 176.870 -0.040 0.000 1.105 128 L CA 0.591 55.417 54.840 -0.023 0.000 0.775 128 L CB -0.143 41.917 42.059 0.001 0.000 0.913 128 L HN 0.061 nan 8.230 nan 0.000 0.440 129 M N -0.793 118.770 119.600 -0.061 0.000 2.466 129 M HA -0.051 4.429 4.480 0.000 0.000 0.265 129 M C 1.740 177.979 176.300 -0.101 0.000 1.122 129 M CA 0.927 56.189 55.300 -0.063 0.000 1.157 129 M CB 0.082 32.658 32.600 -0.041 0.000 1.352 129 M HN 0.174 nan 8.290 nan 0.000 0.464 130 N N 1.326 119.919 118.700 -0.179 0.000 2.166 130 N HA -0.087 4.653 4.740 0.000 0.000 0.186 130 N C 1.608 177.052 175.510 -0.110 0.000 1.019 130 N CA 1.786 54.721 53.050 -0.191 0.000 0.856 130 N CB -0.373 37.926 38.487 -0.315 0.000 0.993 130 N HN 0.468 nan 8.380 nan 0.000 0.426 131 A N -0.627 122.140 122.820 -0.089 0.000 1.930 131 A HA 0.250 4.570 4.320 0.000 0.000 0.215 131 A C 1.909 179.471 177.584 -0.038 0.000 1.176 131 A CA 1.594 53.599 52.037 -0.053 0.000 0.632 131 A CB -0.296 18.679 19.000 -0.041 0.000 0.819 131 A HN 0.367 nan 8.150 nan 0.000 0.445 132 G N -2.648 106.130 108.800 -0.036 0.000 3.738 132 G HA2 0.517 4.477 3.960 0.000 0.000 0.241 132 G HA3 0.517 4.477 3.960 0.000 0.000 0.241 132 G C 0.566 175.453 174.900 -0.021 0.000 1.068 132 G CA 0.604 45.689 45.100 -0.024 0.000 0.899 132 G HN 1.681 nan 8.290 nan 0.000 0.519 133 G N 0.288 109.072 108.800 -0.027 0.000 2.497 133 G HA2 0.071 4.031 3.960 0.000 0.000 0.686 133 G HA3 0.071 4.031 3.960 0.000 0.000 0.686 133 G C -1.802 173.089 174.900 -0.015 0.000 1.288 133 G CA -0.157 44.930 45.100 -0.021 0.000 0.899 133 G HN 0.001 nan 8.290 nan 0.000 0.608 134 P HA -0.097 nan 4.420 nan 0.000 0.223 134 P C 1.379 178.679 177.300 -0.000 0.000 1.144 134 P CA 0.996 64.095 63.100 -0.002 0.000 0.783 134 P CB 0.162 31.862 31.700 0.000 0.000 0.771 135 R N 0.106 120.604 120.500 -0.002 0.000 2.276 135 R HA 0.068 4.409 4.340 0.000 0.000 0.196 135 R C 1.516 177.815 176.300 -0.000 0.000 0.961 135 R CA 0.679 56.778 56.100 -0.001 0.000 1.024 135 R CB -0.163 30.136 30.300 -0.002 0.000 0.940 135 R HN -0.134 nan 8.270 nan 0.000 0.480 136 K N 0.003 120.402 120.400 -0.002 0.000 2.410 136 K HA 0.203 4.523 4.320 0.000 0.000 0.200 136 K C -0.423 176.179 176.600 0.004 0.000 1.023 136 K CA -0.016 56.270 56.287 -0.001 0.000 1.149 136 K CB 0.625 33.121 32.500 -0.005 0.000 0.859 136 K HN -0.042 nan 8.250 nan 0.000 0.514 137 V N 1.770 121.688 119.914 0.006 0.000 2.530 137 V HA 0.059 4.180 4.120 0.000 0.000 0.282 137 V C 0.877 176.978 176.094 0.011 0.000 1.048 137 V CA -0.531 61.777 62.300 0.012 0.000 0.997 137 V CB 1.382 33.214 31.823 0.015 0.000 0.987 137 V HN 0.190 nan 8.190 nan 0.000 0.477 138 S N 5.952 121.660 115.700 0.014 0.000 2.552 138 S HA 0.100 4.571 4.470 0.000 0.000 0.289 138 S C -1.233 173.373 174.600 0.010 0.000 1.304 138 S CA -0.725 57.483 58.200 0.012 0.000 1.063 138 S CB 0.745 63.953 63.200 0.015 0.000 0.848 138 S HN 0.665 nan 8.310 nan 0.000 0.499 139 P HA 0.015 nan 4.420 nan 0.000 0.228 139 P C 0.378 177.681 177.300 0.005 0.000 1.151 139 P CA 0.975 64.078 63.100 0.005 0.000 0.770 139 P CB 0.038 31.740 31.700 0.004 0.000 0.786 140 L N -2.713 118.514 121.223 0.006 0.000 2.728 140 L HA 0.346 4.686 4.340 0.000 0.000 0.238 140 L C 2.077 178.951 176.870 0.008 0.000 1.143 140 L CA -0.008 54.835 54.840 0.005 0.000 0.937 140 L CB -0.621 41.441 42.059 0.004 0.000 1.225 140 L HN -0.135 nan 8.230 nan 0.000 0.507 141 A N 1.183 124.009 122.820 0.011 0.000 1.927 141 A HA -0.224 4.096 4.320 0.000 0.000 0.220 141 A C 2.376 179.967 177.584 0.013 0.000 1.185 141 A CA 2.491 54.538 52.037 0.015 0.000 0.639 141 A CB -0.772 18.240 19.000 0.019 0.000 0.820 141 A HN 0.323 nan 8.150 nan 0.000 0.451 142 V N -0.839 119.080 119.914 0.008 0.000 2.453 142 V HA -0.266 3.854 4.120 0.000 0.000 0.247 142 V C 2.289 178.384 176.094 0.001 0.000 1.048 142 V CA 2.100 64.403 62.300 0.005 0.000 1.049 142 V CB -1.224 30.601 31.823 0.002 0.000 0.672 142 V HN 0.804 nan 8.190 nan 0.000 0.457 143 Q N -0.025 119.775 119.800 -0.001 0.000 2.369 143 Q HA -0.058 4.282 4.340 0.000 0.000 0.206 143 Q C 2.012 178.011 176.000 -0.002 0.000 0.963 143 Q CA 1.785 57.585 55.803 -0.005 0.000 0.894 143 Q CB -0.344 28.389 28.738 -0.008 0.000 0.965 143 Q HN 0.660 nan 8.270 nan 0.000 0.475 144 M N -0.078 119.525 119.600 0.004 0.000 2.394 144 M HA 0.086 4.566 4.480 0.000 0.000 0.266 144 M C 1.965 178.273 176.300 0.014 0.000 1.098 144 M CA 0.879 56.185 55.300 0.010 0.000 1.149 144 M CB 0.059 32.669 32.600 0.017 0.000 1.369 144 M HN 0.146 nan 8.290 nan 0.000 0.450 145 I N 0.930 121.507 120.570 0.012 0.000 2.277 145 I HA -0.089 4.081 4.170 0.000 0.000 0.243 145 I C 1.414 177.534 176.117 0.005 0.000 1.094 145 I CA 0.050 61.357 61.300 0.011 0.000 1.393 145 I CB -0.067 37.939 38.000 0.011 0.000 1.078 145 I HN 0.349 nan 8.210 nan 0.000 0.417 146 M N 2.229 121.829 119.600 0.000 0.000 2.274 146 M HA -0.021 4.459 4.480 0.000 0.000 0.377 146 M C -1.976 174.321 176.300 -0.006 0.000 1.428 146 M CA -0.563 54.734 55.300 -0.005 0.000 0.907 146 M CB -0.332 32.262 32.600 -0.010 0.000 1.974 146 M HN -0.207 nan 8.290 nan 0.000 0.479 147 P HA -0.171 nan 4.420 nan 0.000 0.218 147 P C 0.700 177.992 177.300 -0.014 0.000 1.148 147 P CA 1.603 64.698 63.100 -0.007 0.000 0.822 147 P CB -0.294 31.400 31.700 -0.010 0.000 0.784 148 N N -0.728 117.959 118.700 -0.021 0.000 2.521 148 N HA -0.037 4.704 4.740 0.000 0.000 0.188 148 N C 1.757 177.249 175.510 -0.031 0.000 1.146 148 N CA 1.009 54.040 53.050 -0.031 0.000 0.893 148 N CB -1.148 37.317 38.487 -0.037 0.000 0.975 148 N HN 0.085 nan 8.380 nan 0.000 0.451 149 G N 1.325 110.112 108.800 -0.021 0.000 2.491 149 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 149 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 149 G C 1.683 176.567 174.900 -0.027 0.000 1.180 149 G CA 1.514 46.602 45.100 -0.021 0.000 0.774 149 G HN 0.535 nan 8.290 nan 0.000 0.562 150 A N 0.939 123.746 122.820 -0.022 0.000 1.930 150 A HA 0.337 4.657 4.320 0.000 0.000 0.217 150 A C 2.808 180.367 177.584 -0.042 0.000 1.175 150 A CA 2.155 54.175 52.037 -0.028 0.000 0.627 150 A CB -0.711 18.280 19.000 -0.015 0.000 0.815 150 A HN 0.830 nan 8.150 nan 0.000 0.443 151 A N -0.131 122.662 122.820 -0.044 0.000 1.933 151 A HA 0.180 4.500 4.320 0.000 0.000 0.218 151 A C 2.455 179.989 177.584 -0.083 0.000 1.175 151 A CA 1.975 53.975 52.037 -0.062 0.000 0.628 151 A CB -0.876 18.088 19.000 -0.060 0.000 0.814 151 A HN 1.007 nan 8.150 nan 0.000 0.444 152 A N -0.735 122.042 122.820 -0.072 0.000 1.968 152 A HA 0.107 4.427 4.320 0.000 0.000 0.217 152 A C 2.190 179.726 177.584 -0.080 0.000 1.169 152 A CA 1.481 53.470 52.037 -0.079 0.000 0.638 152 A CB -0.718 18.245 19.000 -0.062 0.000 0.812 152 A HN 0.324 nan 8.150 nan 0.000 0.446 153 V N 0.350 120.224 119.914 -0.066 0.000 2.295 153 V HA -0.269 3.851 4.120 0.000 0.000 0.246 153 V C 2.401 178.446 176.094 -0.081 0.000 1.049 153 V CA 2.139 64.401 62.300 -0.063 0.000 1.024 153 V CB -0.644 31.149 31.823 -0.050 0.000 0.648 153 V HN 0.591 nan 8.190 nan 0.000 0.447 154 I N 0.660 121.178 120.570 -0.086 0.000 2.361 154 I HA -0.144 4.026 4.170 0.000 0.000 0.251 154 I C 2.519 178.539 176.117 -0.162 0.000 1.133 154 I CA 1.555 62.792 61.300 -0.103 0.000 1.413 154 I CB -0.844 37.108 38.000 -0.081 0.000 1.073 154 I HN 0.403 nan 8.210 nan 0.000 0.424 155 G N 0.910 109.603 108.800 -0.178 0.000 2.408 155 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 155 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 155 G C 1.608 176.387 174.900 -0.203 0.000 1.150 155 G CA 0.353 45.305 45.100 -0.245 0.000 0.776 155 G HN 0.214 nan 8.290 nan 0.000 0.542 156 L N 0.382 121.522 121.223 -0.138 0.000 2.044 156 L HA 0.046 4.386 4.340 0.000 0.000 0.205 156 L C 2.784 179.593 176.870 -0.103 0.000 1.075 156 L CA 2.254 57.031 54.840 -0.105 0.000 0.747 156 L CB -0.788 41.226 42.059 -0.076 0.000 0.903 156 L HN 0.373 nan 8.230 nan 0.000 0.435 157 Q N -0.688 119.048 119.800 -0.107 0.000 2.112 157 Q HA -0.210 4.130 4.340 0.000 0.000 0.206 157 Q C 1.848 177.756 176.000 -0.154 0.000 0.987 157 Q CA 2.127 57.867 55.803 -0.105 0.000 0.858 157 Q CB -0.080 28.602 28.738 -0.094 0.000 0.905 157 Q HN 0.603 nan 8.270 nan 0.000 0.420 158 L N -1.590 119.507 121.223 -0.211 0.000 2.664 158 L HA 0.289 4.629 4.340 0.000 0.000 0.233 158 L C 1.034 177.835 176.870 -0.114 0.000 1.113 158 L CA 0.361 55.008 54.840 -0.321 0.000 0.896 158 L CB 0.654 42.454 42.059 -0.431 0.000 1.163 158 L HN 0.453 nan 8.230 nan 0.000 0.497 159 G N 1.053 109.785 108.800 -0.112 0.000 2.149 159 G HA2 -0.235 3.726 3.960 0.000 0.000 0.235 159 G HA3 -0.235 3.726 3.960 0.000 0.000 0.235 159 G C 0.300 175.161 174.900 -0.064 0.000 1.018 159 G CA -0.007 45.066 45.100 -0.045 0.000 0.728 159 G HN 0.424 nan 8.290 nan 0.000 0.508 160 A N -0.143 122.438 122.820 -0.399 0.000 2.444 160 A HA 0.668 4.988 4.320 0.000 0.000 0.287 160 A C 1.176 178.578 177.584 -0.304 0.000 1.195 160 A CA 0.443 52.058 52.037 -0.702 0.000 0.858 160 A CB 0.073 18.320 19.000 -1.255 0.000 1.117 160 A HN 0.512 nan 8.150 nan 0.000 0.521 161 R N 2.288 122.707 120.500 -0.136 0.000 2.432 161 R HA 0.206 4.547 4.340 0.000 0.000 0.260 161 R C 1.241 177.507 176.300 -0.056 0.000 0.935 161 R CA 0.678 56.733 56.100 -0.076 0.000 1.080 161 R CB 0.646 30.932 30.300 -0.024 0.000 1.155 161 R HN 0.710 nan 8.270 nan 0.000 0.531 162 A N 0.693 123.475 122.820 -0.063 0.000 2.379 162 A HA 0.448 4.768 4.320 0.000 0.000 0.236 162 A C 0.426 177.975 177.584 -0.058 0.000 1.272 162 A CA 0.391 52.407 52.037 -0.034 0.000 0.886 162 A CB 0.278 19.282 19.000 0.007 0.000 0.962 162 A HN 0.278 nan 8.150 nan 0.000 0.504 163 G N -1.589 107.155 108.800 -0.093 0.000 2.764 163 G HA2 0.238 4.198 3.960 0.000 0.000 0.678 163 G HA3 0.238 4.198 3.960 0.000 0.000 0.678 163 G C -1.155 173.672 174.900 -0.121 0.000 1.341 163 G CA -0.409 44.639 45.100 -0.088 0.000 0.836 163 G HN 0.691 nan 8.290 nan 0.000 0.632 164 V N 3.598 123.446 119.914 -0.110 0.000 2.349 164 V HA 0.672 4.793 4.120 0.000 0.000 0.284 164 V C 0.424 176.464 176.094 -0.089 0.000 1.014 164 V CA -0.303 61.927 62.300 -0.117 0.000 0.826 164 V CB 1.309 33.056 31.823 -0.127 0.000 1.009 164 V HN 0.781 nan 8.190 nan 0.000 0.431 165 M N 3.157 122.709 119.600 -0.081 0.000 2.537 165 M HA 0.574 5.054 4.480 0.000 0.000 0.324 165 M C -0.170 176.085 176.300 -0.075 0.000 1.187 165 M CA 0.009 55.260 55.300 -0.082 0.000 0.993 165 M CB 2.366 34.912 32.600 -0.089 0.000 1.666 165 M HN 0.478 nan 8.290 nan 0.000 0.461 166 T N 2.797 117.301 114.554 -0.084 0.000 3.077 166 T HA 0.430 4.780 4.350 0.000 0.000 0.359 166 T C -2.598 172.049 174.700 -0.087 0.000 1.108 166 T CA -1.077 60.982 62.100 -0.068 0.000 1.170 166 T CB 0.432 69.269 68.868 -0.052 0.000 1.045 166 T HN 0.307 nan 8.240 nan 0.000 0.505 167 P HA 0.390 nan 4.420 nan 0.000 0.282 167 P C -0.629 176.632 177.300 -0.064 0.000 1.262 167 P CA -0.605 62.433 63.100 -0.104 0.000 0.773 167 P CB 0.728 32.381 31.700 -0.079 0.000 0.879 168 V N 0.764 120.633 119.914 -0.075 0.000 2.378 168 V HA 0.693 4.813 4.120 0.000 0.000 0.288 168 V C 0.319 176.316 176.094 -0.161 0.000 1.016 168 V CA -0.386 61.867 62.300 -0.079 0.000 0.840 168 V CB 1.297 33.091 31.823 -0.048 0.000 0.994 168 V HN 0.578 nan 8.190 nan 0.000 0.431 169 S N 2.728 118.291 115.700 -0.228 0.000 2.949 169 S HA 0.764 5.234 4.470 0.000 0.000 0.246 169 S C 0.527 174.947 174.600 -0.300 0.000 0.899 169 S CA 0.683 58.536 58.200 -0.578 0.000 1.091 169 S CB 0.305 63.085 63.200 -0.701 0.000 1.199 169 S HN 2.682 nan 8.310 nan 0.000 0.507 170 A N 2.115 124.880 122.820 -0.092 0.000 5.327 170 A HA -0.318 4.002 4.320 0.000 0.000 0.280 170 A C 1.051 178.643 177.584 0.013 0.000 2.126 170 A CA 1.237 53.286 52.037 0.020 0.000 0.716 170 A CB -1.840 17.224 19.000 0.106 0.000 1.154 170 A HN 0.615 nan 8.150 nan 0.000 0.349 171 Q N 0.679 120.489 119.800 0.016 0.000 2.472 171 Q HA 0.175 4.515 4.340 0.000 0.000 0.208 171 Q C 1.813 177.863 176.000 0.084 0.000 0.958 171 Q CA 1.472 57.328 55.803 0.088 0.000 0.932 171 Q CB -0.083 28.744 28.738 0.148 0.000 1.007 171 Q HN 1.129 nan 8.270 nan 0.000 0.508 172 S N -2.361 113.351 115.700 0.020 0.000 2.540 172 S HA 0.183 4.653 4.470 0.000 0.000 0.218 172 S C 1.515 176.109 174.600 -0.012 0.000 0.977 172 S CA -0.146 58.049 58.200 -0.009 0.000 0.918 172 S CB 0.311 63.509 63.200 -0.003 0.000 0.806 172 S HN 0.079 nan 8.310 nan 0.000 0.496 173 S N 2.186 117.877 115.700 -0.015 0.000 2.365 173 S HA -0.044 4.426 4.470 0.000 0.000 0.225 173 S C 2.096 176.700 174.600 0.008 0.000 1.039 173 S CA 1.620 59.811 58.200 -0.014 0.000 1.033 173 S CB -1.113 62.078 63.200 -0.016 0.000 0.887 173 S HN 0.779 nan 8.310 nan 0.000 0.447 174 G N 0.669 109.474 108.800 0.008 0.000 2.450 174 G HA2 -0.159 3.802 3.960 0.000 0.000 0.220 174 G HA3 -0.159 3.802 3.960 0.000 0.000 0.220 174 G C 1.494 176.406 174.900 0.021 0.000 1.130 174 G CA 1.216 46.324 45.100 0.013 0.000 0.760 174 G HN 0.551 nan 8.290 nan 0.000 0.557 175 S N -0.282 115.423 115.700 0.009 0.000 2.421 175 S HA 0.039 4.509 4.470 0.000 0.000 0.224 175 S C 1.960 176.568 174.600 0.014 0.000 1.035 175 S CA 0.727 58.931 58.200 0.006 0.000 0.953 175 S CB 0.047 63.229 63.200 -0.030 0.000 0.810 175 S HN 0.579 nan 8.310 nan 0.000 0.497 176 E N 1.629 121.849 120.200 0.033 0.000 2.118 176 E HA -0.148 4.202 4.350 0.000 0.000 0.195 176 E C 2.011 178.719 176.600 0.181 0.000 0.992 176 E CA 0.995 57.451 56.400 0.093 0.000 0.804 176 E CB -0.180 29.595 29.700 0.125 0.000 0.741 176 E HN 0.495 nan 8.360 nan 0.000 0.458 177 A N 0.664 123.555 122.820 0.119 0.000 1.972 177 A HA -0.125 4.195 4.320 0.000 0.000 0.219 177 A C 2.022 179.673 177.584 0.112 0.000 1.169 177 A CA 1.018 53.124 52.037 0.114 0.000 0.635 177 A CB -0.382 18.654 19.000 0.059 0.000 0.810 177 A HN 0.321 nan 8.150 nan 0.000 0.446 178 I N -0.954 119.667 120.570 0.085 0.000 3.059 178 I HA -0.062 4.108 4.170 0.000 0.000 0.270 178 I C 2.647 178.799 176.117 0.059 0.000 1.238 178 I CA 0.663 62.015 61.300 0.087 0.000 1.478 178 I CB -0.196 37.865 38.000 0.102 0.000 1.097 178 I HN 0.339 nan 8.210 nan 0.000 0.455 179 A N 0.498 123.326 122.820 0.013 0.000 1.874 179 A HA -0.140 4.181 4.320 0.000 0.000 0.214 179 A C 2.132 179.713 177.584 -0.005 0.000 1.189 179 A CA 1.058 53.061 52.037 -0.057 0.000 0.615 179 A CB -0.694 18.200 19.000 -0.175 0.000 0.830 179 A HN 0.357 nan 8.150 nan 0.000 0.443 180 H N -0.376 118.734 119.070 0.068 0.000 2.521 180 H HA 0.073 4.629 4.556 0.000 0.000 0.286 180 H C 2.370 177.729 175.328 0.051 0.000 1.034 180 H CA 1.053 57.133 56.048 0.053 0.000 1.278 180 H CB -0.080 29.696 29.762 0.023 0.000 1.386 180 H HN 0.544 nan 8.280 nan 0.000 0.567 181 A N 0.648 123.571 122.820 0.171 0.000 1.897 181 A HA -0.151 4.169 4.320 0.000 0.000 0.215 181 A C 2.287 179.949 177.584 0.129 0.000 1.181 181 A CA 0.909 53.023 52.037 0.128 0.000 0.620 181 A CB -0.906 18.170 19.000 0.127 0.000 0.821 181 A HN 0.478 nan 8.150 nan 0.000 0.443 182 W N 1.075 122.347 121.300 -0.046 0.000 2.332 182 W HA -0.221 4.439 4.660 0.000 0.000 0.321 182 W C 2.424 178.870 176.519 -0.121 0.000 1.219 182 W CA 2.267 59.555 57.345 -0.095 0.000 1.277 182 W CB -0.348 29.019 29.460 -0.155 0.000 1.161 182 W HN 0.252 nan 8.180 nan 0.000 0.476 183 R N -0.384 120.089 120.500 -0.046 0.000 2.119 183 R HA -0.285 4.055 4.340 0.000 0.000 0.246 183 R C 2.098 178.286 176.300 -0.188 0.000 1.146 183 R CA 2.056 58.025 56.100 -0.218 0.000 0.962 183 R CB -0.869 29.401 30.300 -0.051 0.000 0.863 183 R HN 0.253 nan 8.270 nan 0.000 0.442 184 Q N 0.792 120.548 119.800 -0.074 0.000 2.124 184 Q HA -0.065 4.275 4.340 0.000 0.000 0.202 184 Q C 1.848 177.796 176.000 -0.087 0.000 0.977 184 Q CA 1.443 57.217 55.803 -0.048 0.000 0.850 184 Q CB 0.015 28.756 28.738 0.004 0.000 0.901 184 Q HN 0.384 nan 8.270 nan 0.000 0.429 185 I N -0.579 119.913 120.570 -0.129 0.000 2.277 185 I HA -0.163 4.007 4.170 0.000 0.000 0.243 185 I C 2.072 178.065 176.117 -0.207 0.000 1.094 185 I CA 1.001 62.220 61.300 -0.135 0.000 1.393 185 I CB -0.451 37.486 38.000 -0.105 0.000 1.078 185 I HN 0.156 nan 8.210 nan 0.000 0.417 186 V N -1.704 117.957 119.914 -0.420 0.000 2.759 186 V HA -0.148 3.972 4.120 0.000 0.000 0.256 186 V C 2.046 178.019 176.094 -0.202 0.000 1.080 186 V CA 1.410 63.455 62.300 -0.424 0.000 1.101 186 V CB -0.623 30.592 31.823 -1.013 0.000 0.698 186 V HN 0.386 nan 8.190 nan 0.000 0.477 187 M N 0.620 120.110 119.600 -0.184 0.000 2.595 187 M HA 0.292 4.772 4.480 0.000 0.000 0.248 187 M C 1.545 177.816 176.300 -0.047 0.000 1.119 187 M CA 1.029 56.280 55.300 -0.081 0.000 1.079 187 M CB 0.108 32.667 32.600 -0.068 0.000 1.472 187 M HN 0.723 nan 8.290 nan 0.000 0.501 188 G N 0.964 109.729 108.800 -0.058 0.000 2.149 188 G HA2 -0.202 3.758 3.960 0.000 0.000 0.235 188 G HA3 -0.202 3.758 3.960 0.000 0.000 0.235 188 G C 0.136 175.025 174.900 -0.018 0.000 1.018 188 G CA 0.282 45.365 45.100 -0.029 0.000 0.728 188 G HN 0.456 nan 8.290 nan 0.000 0.508 189 D N -0.116 120.268 120.400 -0.026 0.000 2.346 189 D HA 0.423 5.063 4.640 0.000 0.000 0.206 189 D C 1.310 177.608 176.300 -0.003 0.000 1.001 189 D CA 1.359 55.351 54.000 -0.013 0.000 0.871 189 D CB 0.632 41.421 40.800 -0.017 0.000 0.943 189 D HN 0.963 nan 8.370 nan 0.000 0.518 190 A N 0.109 122.926 122.820 -0.005 0.000 2.606 190 A HA 0.416 4.736 4.320 0.000 0.000 0.293 190 A C -0.626 176.957 177.584 -0.003 0.000 1.082 190 A CA -0.581 51.465 52.037 0.014 0.000 0.685 190 A CB 1.563 20.580 19.000 0.028 0.000 1.284 190 A HN -0.257 nan 8.150 nan 0.000 0.408 191 D N -0.555 119.837 120.400 -0.012 0.000 2.423 191 D HA 0.249 4.889 4.640 0.000 0.000 0.212 191 D C -0.043 176.138 176.300 -0.198 0.000 1.060 191 D CA 1.072 55.033 54.000 -0.066 0.000 0.872 191 D CB 1.462 42.250 40.800 -0.019 0.000 1.012 191 D HN 0.440 nan 8.370 nan 0.000 0.503 192 V N -0.090 119.724 119.914 -0.166 0.000 2.888 192 V HA 0.767 4.888 4.120 0.000 0.000 0.309 192 V C -1.918 174.262 176.094 0.143 0.000 1.114 192 V CA -0.637 61.572 62.300 -0.151 0.000 0.940 192 V CB 1.974 33.532 31.823 -0.442 0.000 1.021 192 V HN 0.057 nan 8.190 nan 0.000 0.426 193 A N 5.020 127.948 122.820 0.180 0.000 2.488 193 A HA 0.818 5.138 4.320 0.000 0.000 0.298 193 A C -1.358 176.390 177.584 0.274 0.000 1.044 193 A CA -0.500 51.697 52.037 0.265 0.000 0.693 193 A CB 2.054 21.139 19.000 0.141 0.000 1.272 193 A HN 1.192 nan 8.150 nan 0.000 0.402 194 V N 1.726 121.839 119.914 0.331 0.000 2.432 194 V HA 0.500 4.620 4.120 0.000 0.000 0.275 194 V C 0.257 176.424 176.094 0.120 0.000 1.043 194 V CA -0.113 62.327 62.300 0.234 0.000 0.925 194 V CB 0.279 32.261 31.823 0.265 0.000 0.985 194 V HN 1.289 nan 8.190 nan 0.000 0.466 195 C N 2.526 121.889 119.300 0.105 0.000 3.236 195 C HA 1.106 5.566 4.460 0.000 0.000 0.312 195 C C 0.429 175.458 174.990 0.064 0.000 1.374 195 C CA -0.142 58.922 59.018 0.078 0.000 1.455 195 C CB 1.071 28.868 27.740 0.094 0.000 1.834 195 C HN 1.436 nan 8.230 nan 0.000 0.460 196 G N -0.541 108.291 108.800 0.052 0.000 2.247 196 G HA2 0.583 4.543 3.960 0.000 0.000 0.229 196 G HA3 0.583 4.543 3.960 0.000 0.000 0.229 196 G C -0.579 174.337 174.900 0.027 0.000 1.345 196 G CA 0.189 45.313 45.100 0.039 0.000 1.100 196 G HN 2.473 nan 8.290 nan 0.000 0.473 197 G N -1.353 107.459 108.800 0.020 0.000 2.742 197 G HA2 0.890 4.850 3.960 0.000 0.000 0.296 197 G HA3 0.890 4.850 3.960 0.000 0.000 0.296 197 G C -0.752 174.159 174.900 0.019 0.000 1.436 197 G CA 0.793 45.904 45.100 0.017 0.000 0.928 197 G HN 2.073 nan 8.290 nan 0.000 0.520 198 V N -1.649 118.280 119.914 0.024 0.000 3.126 198 V HA 1.037 5.157 4.120 0.000 0.000 0.314 198 V C -0.840 175.290 176.094 0.060 0.000 1.138 198 V CA -1.121 61.202 62.300 0.040 0.000 1.034 198 V CB 2.059 33.899 31.823 0.029 0.000 1.075 198 V HN 1.008 nan 8.190 nan 0.000 0.442 199 E N 0.337 120.598 120.200 0.103 0.000 2.390 199 E HA 0.658 5.008 4.350 0.000 0.000 0.280 199 E C 0.032 176.727 176.600 0.158 0.000 0.992 199 E CA 0.236 56.691 56.400 0.092 0.000 0.790 199 E CB 1.739 31.458 29.700 0.031 0.000 1.248 199 E HN 1.281 nan 8.360 nan 0.000 0.447 200 G N 1.791 110.602 108.800 0.018 0.000 2.647 200 G HA2 0.387 4.347 3.960 0.000 0.000 0.271 200 G HA3 0.387 4.347 3.960 0.000 0.000 0.271 200 G C -2.177 172.478 174.900 -0.409 0.000 1.300 200 G CA -0.547 44.400 45.100 -0.254 0.000 0.997 200 G HN 0.450 nan 8.290 nan 0.000 0.533 201 P HA 0.397 nan 4.420 nan 0.000 0.321 201 P C -0.266 176.849 177.300 -0.308 0.000 1.304 201 P CA -0.840 62.038 63.100 -0.370 0.000 0.759 201 P CB 0.842 32.330 31.700 -0.353 0.000 1.385 202 I N 0.270 120.744 120.570 -0.159 0.000 2.395 202 I HA 0.270 4.440 4.170 0.000 0.000 0.289 202 I C 0.804 176.947 176.117 0.043 0.000 1.023 202 I CA 0.303 61.498 61.300 -0.175 0.000 1.350 202 I CB 0.268 38.207 38.000 -0.102 0.000 1.409 202 I HN 0.181 nan 8.210 nan 0.000 0.507 203 E N 2.977 123.128 120.200 -0.082 0.000 2.433 203 E HA 0.404 4.754 4.350 0.000 0.000 0.278 203 E C 0.223 176.562 176.600 -0.436 0.000 0.976 203 E CA -0.532 55.642 56.400 -0.378 0.000 0.793 203 E CB 2.069 31.566 29.700 -0.340 0.000 1.311 203 E HN 0.568 nan 8.360 nan 0.000 0.460 204 A N 2.013 124.238 122.820 -0.991 0.000 1.884 204 A HA -0.202 4.118 4.320 0.000 0.000 0.219 204 A C 1.846 179.295 177.584 -0.226 0.000 1.197 204 A CA 1.475 53.254 52.037 -0.429 0.000 0.637 204 A CB -0.447 18.295 19.000 -0.430 0.000 0.827 204 A HN 0.499 nan 8.150 nan 0.000 0.450 205 L N 0.005 121.068 121.223 -0.267 0.000 2.017 205 L HA -0.083 4.257 4.340 0.000 0.000 0.208 205 L C -0.464 176.398 176.870 -0.013 0.000 1.073 205 L CA 2.487 57.223 54.840 -0.174 0.000 0.745 205 L CB -2.137 39.820 42.059 -0.170 0.000 0.894 205 L HN 0.184 nan 8.230 nan 0.000 0.432 206 P HA -0.163 nan 4.420 nan 0.000 0.215 206 P C 2.086 179.703 177.300 0.528 0.000 1.153 206 P CA 1.504 64.788 63.100 0.307 0.000 0.853 206 P CB 0.100 31.907 31.700 0.179 0.000 0.788 207 I N -0.759 120.047 120.570 0.394 0.000 2.202 207 I HA -0.219 3.951 4.170 0.000 0.000 0.242 207 I C 2.348 178.579 176.117 0.190 0.000 1.091 207 I CA 1.390 62.898 61.300 0.345 0.000 1.368 207 I CB -0.880 37.295 38.000 0.293 0.000 1.058 207 I HN -0.108 nan 8.210 nan 0.000 0.410 208 A N 0.812 123.688 122.820 0.093 0.000 1.978 208 A HA -0.202 4.118 4.320 0.000 0.000 0.220 208 A C 2.501 180.095 177.584 0.018 0.000 1.170 208 A CA 2.031 54.077 52.037 0.014 0.000 0.636 208 A CB -0.751 18.195 19.000 -0.090 0.000 0.810 208 A HN 0.461 nan 8.150 nan 0.000 0.448 209 A N -1.341 121.508 122.820 0.049 0.000 1.872 209 A HA 0.112 4.432 4.320 0.000 0.000 0.214 209 A C 1.899 179.429 177.584 -0.090 0.000 1.187 209 A CA 1.347 53.354 52.037 -0.049 0.000 0.614 209 A CB -0.626 18.322 19.000 -0.088 0.000 0.826 209 A HN 0.470 nan 8.150 nan 0.000 0.442 210 F N -0.156 119.837 119.950 0.072 0.000 2.512 210 F HA 0.005 4.532 4.527 0.000 0.000 0.296 210 F C 2.728 178.511 175.800 -0.028 0.000 1.110 210 F CA 0.986 59.034 58.000 0.080 0.000 1.446 210 F CB -0.127 38.955 39.000 0.137 0.000 1.092 210 F HN 0.122 nan 8.300 nan 0.000 0.554 211 S N -0.001 115.761 115.700 0.103 0.000 2.343 211 S HA -0.165 4.305 4.470 0.000 0.000 0.219 211 S C 2.091 176.691 174.600 0.000 0.000 1.033 211 S CA 1.134 59.338 58.200 0.007 0.000 1.014 211 S CB -0.205 62.999 63.200 0.007 0.000 0.915 211 S HN 0.156 nan 8.310 nan 0.000 0.435 212 M N 0.861 120.458 119.600 -0.005 0.000 2.530 212 M HA 0.045 4.525 4.480 0.000 0.000 0.261 212 M C 1.461 177.745 176.300 -0.027 0.000 1.067 212 M CA 1.034 56.321 55.300 -0.023 0.000 1.071 212 M CB -1.183 31.394 32.600 -0.038 0.000 1.405 212 M HN 0.386 nan 8.290 nan 0.000 0.478 213 M N -1.404 118.187 119.600 -0.015 0.000 2.561 213 M HA 0.044 4.524 4.480 0.000 0.000 0.238 213 M C 0.584 176.893 176.300 0.015 0.000 1.131 213 M CA 0.109 55.402 55.300 -0.011 0.000 1.046 213 M CB -0.093 32.511 32.600 0.008 0.000 1.532 213 M HN 0.175 nan 8.290 nan 0.000 0.497 214 R N 0.415 120.918 120.500 0.005 0.000 3.502 214 R HA -0.232 4.108 4.340 0.000 0.000 0.266 214 R C 0.516 176.824 176.300 0.013 0.000 1.077 214 R CA 0.374 56.471 56.100 -0.005 0.000 0.718 214 R CB -1.190 29.106 30.300 -0.007 0.000 1.120 214 R HN 0.539 nan 8.270 nan 0.000 0.457 215 A N -0.308 122.539 122.820 0.044 0.000 2.169 215 A HA 0.239 4.559 4.320 0.000 0.000 0.210 215 A C 0.890 178.404 177.584 -0.118 0.000 1.168 215 A CA 0.213 52.324 52.037 0.124 0.000 0.813 215 A CB 0.364 19.608 19.000 0.405 0.000 0.861 215 A HN 0.293 nan 8.150 nan 0.000 0.481 216 M N 0.286 119.685 119.600 -0.335 0.000 2.423 216 M HA 0.320 4.800 4.480 0.000 0.000 0.335 216 M C 0.211 176.294 176.300 -0.363 0.000 1.177 216 M CA -0.319 54.574 55.300 -0.678 0.000 1.038 216 M CB 1.707 33.875 32.600 -0.719 0.000 1.641 216 M HN 0.160 nan 8.290 nan 0.000 0.455 217 S N 0.656 116.145 115.700 -0.353 0.000 2.565 217 S HA 0.263 4.733 4.470 0.000 0.000 0.276 217 S C 0.622 175.131 174.600 -0.152 0.000 1.326 217 S CA -0.468 57.619 58.200 -0.188 0.000 1.045 217 S CB 0.420 63.537 63.200 -0.139 0.000 0.918 217 S HN 0.786 nan 8.310 nan 0.000 0.505 218 T N 1.869 116.366 114.554 -0.095 0.000 3.266 218 T HA 0.307 4.657 4.350 0.000 0.000 0.278 218 T C 0.462 175.136 174.700 -0.044 0.000 1.010 218 T CA -0.478 61.582 62.100 -0.066 0.000 0.909 218 T CB -0.260 68.579 68.868 -0.049 0.000 1.122 218 T HN 0.604 nan 8.240 nan 0.000 0.536 219 R N 2.055 122.528 120.500 -0.045 0.000 3.688 219 R HA 0.167 4.507 4.340 0.000 0.000 0.194 219 R C 0.296 176.581 176.300 -0.024 0.000 1.677 219 R CA -0.219 55.864 56.100 -0.029 0.000 1.351 219 R CB -0.349 29.936 30.300 -0.025 0.000 1.338 219 R HN 0.232 nan 8.270 nan 0.000 0.731 220 N N 1.362 120.051 118.700 -0.020 0.000 2.396 220 N HA -0.148 4.592 4.740 0.000 0.000 0.180 220 N C 0.780 176.288 175.510 -0.003 0.000 1.028 220 N CA 1.103 54.146 53.050 -0.012 0.000 0.893 220 N CB 0.151 38.634 38.487 -0.007 0.000 0.967 220 N HN 0.601 nan 8.380 nan 0.000 0.440 221 D N 0.369 120.767 120.400 -0.002 0.000 2.224 221 D HA -0.084 4.556 4.640 0.000 0.000 0.205 221 D C 0.048 176.351 176.300 0.005 0.000 0.965 221 D CA 0.973 54.974 54.000 0.002 0.000 0.852 221 D CB -0.293 40.507 40.800 0.001 0.000 0.947 221 D HN 0.234 nan 8.370 nan 0.000 0.494 222 E N 0.219 120.420 120.200 0.002 0.000 3.108 222 E HA 0.181 4.532 4.350 0.000 0.000 0.228 222 E C -2.123 174.479 176.600 0.004 0.000 1.176 222 E CA -1.697 54.707 56.400 0.006 0.000 0.881 222 E CB 2.049 31.752 29.700 0.006 0.000 1.354 222 E HN 0.011 nan 8.360 nan 0.000 0.400 223 P HA -0.244 nan 4.420 nan 0.000 0.215 223 P C 0.882 178.183 177.300 0.001 0.000 1.157 223 P CA 1.376 64.475 63.100 -0.002 0.000 0.874 223 P CB 0.265 31.972 31.700 0.010 0.000 0.790 224 E N -0.666 119.544 120.200 0.016 0.000 2.418 224 E HA -0.091 4.259 4.350 0.000 0.000 0.197 224 E C 1.721 178.334 176.600 0.021 0.000 1.026 224 E CA 0.597 57.010 56.400 0.022 0.000 0.862 224 E CB -0.328 29.391 29.700 0.032 0.000 0.799 224 E HN 0.396 nan 8.360 nan 0.000 0.518 225 R N 0.201 120.710 120.500 0.015 0.000 2.312 225 R HA 0.218 4.558 4.340 0.000 0.000 0.205 225 R C 2.038 178.343 176.300 0.009 0.000 0.904 225 R CA 0.451 56.560 56.100 0.016 0.000 1.052 225 R CB 0.234 30.541 30.300 0.012 0.000 1.014 225 R HN 0.053 nan 8.270 nan 0.000 0.503 226 A N 1.111 123.930 122.820 -0.001 0.000 1.832 226 A HA -0.070 4.250 4.320 0.000 0.000 0.214 226 A C 1.350 178.929 177.584 -0.009 0.000 1.200 226 A CA 0.953 52.981 52.037 -0.014 0.000 0.610 226 A CB -0.330 18.651 19.000 -0.033 0.000 0.842 226 A HN 0.191 nan 8.150 nan 0.000 0.444 227 S N 0.678 116.378 115.700 -0.000 0.000 2.429 227 S HA 0.304 4.774 4.470 0.000 0.000 0.292 227 S C 0.018 174.632 174.600 0.024 0.000 1.183 227 S CA -0.377 57.829 58.200 0.010 0.000 1.088 227 S CB -0.399 62.811 63.200 0.017 0.000 1.018 227 S HN 0.364 nan 8.310 nan 0.000 0.511 228 R N 4.839 125.354 120.500 0.024 0.000 2.651 228 R HA 0.266 4.606 4.340 0.000 0.000 0.282 228 R C -2.969 173.368 176.300 0.062 0.000 1.565 228 R CA -1.838 54.297 56.100 0.059 0.000 1.661 228 R CB 0.811 31.143 30.300 0.052 0.000 1.189 228 R HN 0.368 nan 8.270 nan 0.000 0.621 229 P HA -0.038 nan 4.420 nan 0.000 0.260 229 P C -0.279 177.099 177.300 0.130 0.000 1.185 229 P CA 0.349 63.398 63.100 -0.084 0.000 0.763 229 P CB 0.094 31.753 31.700 -0.069 0.000 0.776 230 F N -0.520 119.516 119.950 0.143 0.000 2.825 230 F HA -0.266 4.261 4.527 0.000 0.000 0.358 230 F C 0.946 176.961 175.800 0.357 0.000 0.639 230 F CA 1.010 59.136 58.000 0.210 0.000 1.153 230 F CB -2.234 36.849 39.000 0.139 0.000 1.610 230 F HN 0.280 nan 8.300 nan 0.000 0.305 231 D N 0.386 121.013 120.400 0.379 0.000 2.360 231 D HA 0.167 4.807 4.640 0.000 0.000 0.242 231 D C 1.287 177.634 176.300 0.080 0.000 1.184 231 D CA 0.090 54.179 54.000 0.148 0.000 0.930 231 D CB 0.792 41.635 40.800 0.073 0.000 1.161 231 D HN 0.186 nan 8.370 nan 0.000 0.447 232 K N 0.291 120.689 120.400 -0.002 0.000 2.243 232 K HA -0.002 4.318 4.320 0.000 0.000 0.201 232 K C -0.117 176.486 176.600 0.005 0.000 1.051 232 K CA 0.603 56.897 56.287 0.010 0.000 0.970 232 K CB 0.302 32.794 32.500 -0.014 0.000 0.755 232 K HN 0.440 nan 8.250 nan 0.000 0.465 233 D N 2.144 122.541 120.400 -0.006 0.000 2.722 233 D HA 0.004 4.644 4.640 0.000 0.000 0.239 233 D C -0.475 175.825 176.300 0.001 0.000 1.249 233 D CA -0.062 53.935 54.000 -0.005 0.000 0.830 233 D CB 0.274 41.065 40.800 -0.014 0.000 1.025 233 D HN 0.296 nan 8.370 nan 0.000 0.486 234 R N 1.266 121.772 120.500 0.010 0.000 2.298 234 R HA 0.149 4.489 4.340 0.000 0.000 0.310 234 R C -0.157 176.142 176.300 -0.002 0.000 1.068 234 R CA -0.259 55.845 56.100 0.007 0.000 0.957 234 R CB 0.564 30.870 30.300 0.010 0.000 1.003 234 R HN -0.191 nan 8.270 nan 0.000 0.454 235 D N 2.148 122.540 120.400 -0.013 0.000 2.670 235 D HA 0.247 4.888 4.640 0.000 0.000 0.255 235 D C 0.353 176.629 176.300 -0.040 0.000 1.286 235 D CA -0.181 53.806 54.000 -0.022 0.000 0.830 235 D CB 0.540 41.323 40.800 -0.028 0.000 1.065 235 D HN 0.891 nan 8.370 nan 0.000 0.486 236 G N 0.179 108.964 108.800 -0.024 0.000 2.384 236 G HA2 0.153 4.113 3.960 0.000 0.000 0.668 236 G HA3 0.153 4.113 3.960 0.000 0.000 0.668 236 G C -0.609 174.281 174.900 -0.016 0.000 1.280 236 G CA -0.660 44.424 45.100 -0.028 0.000 0.992 236 G HN 0.325 nan 8.290 nan 0.000 0.512 237 F N -0.533 119.381 119.950 -0.060 0.000 2.362 237 F HA 0.867 5.394 4.527 0.000 0.000 0.311 237 F C 0.120 175.839 175.800 -0.136 0.000 1.161 237 F CA -1.304 56.645 58.000 -0.085 0.000 1.085 237 F CB 1.299 40.261 39.000 -0.063 0.000 1.311 237 F HN 0.554 nan 8.300 nan 0.000 0.524 238 V N 2.334 122.379 119.914 0.218 0.000 2.686 238 V HA 0.252 4.372 4.120 0.000 0.000 0.306 238 V C -0.852 175.422 176.094 0.300 0.000 1.065 238 V CA -0.775 61.552 62.300 0.045 0.000 0.894 238 V CB 1.462 33.287 31.823 0.004 0.000 1.004 238 V HN 0.655 nan 8.190 nan 0.000 0.424 239 F N 2.959 122.991 119.950 0.137 0.000 2.543 239 F HA 0.560 5.087 4.527 0.000 0.000 0.375 239 F C 1.040 176.831 175.800 -0.014 0.000 1.075 239 F CA -0.201 57.853 58.000 0.090 0.000 1.225 239 F CB 0.940 39.949 39.000 0.015 0.000 1.099 239 F HN 0.541 nan 8.300 nan 0.000 0.561 240 G N 4.639 113.574 108.800 0.226 0.000 2.753 240 G HA2 0.367 4.327 3.960 0.000 0.000 0.282 240 G HA3 0.367 4.327 3.960 0.000 0.000 0.282 240 G C -0.974 173.953 174.900 0.046 0.000 1.512 240 G CA -0.718 44.427 45.100 0.076 0.000 1.076 240 G HN 0.516 nan 8.290 nan 0.000 0.545 241 E N 0.358 120.568 120.200 0.017 0.000 2.398 241 E HA 0.506 4.856 4.350 0.000 0.000 0.263 241 E C 0.299 176.934 176.600 0.059 0.000 1.046 241 E CA 0.468 56.885 56.400 0.028 0.000 0.908 241 E CB 1.391 31.136 29.700 0.076 0.000 0.963 241 E HN 0.809 nan 8.360 nan 0.000 0.431 242 A N 1.152 124.009 122.820 0.060 0.000 2.581 242 A HA 0.652 4.972 4.320 0.000 0.000 0.294 242 A C -0.930 176.688 177.584 0.057 0.000 1.035 242 A CA -0.166 51.904 52.037 0.056 0.000 0.684 242 A CB 1.738 20.759 19.000 0.034 0.000 1.282 242 A HN 0.618 nan 8.150 nan 0.000 0.417 243 G N -0.630 108.198 108.800 0.046 0.000 2.746 243 G HA2 0.938 4.898 3.960 0.000 0.000 0.297 243 G HA3 0.938 4.898 3.960 0.000 0.000 0.297 243 G C -0.806 174.104 174.900 0.018 0.000 1.426 243 G CA 0.351 45.471 45.100 0.033 0.000 0.989 243 G HN 2.187 nan 8.290 nan 0.000 0.520 244 A N 1.303 124.130 122.820 0.012 0.000 2.517 244 A HA 0.849 5.170 4.320 0.000 0.000 0.297 244 A C -1.282 176.308 177.584 0.010 0.000 1.050 244 A CA -0.479 51.561 52.037 0.005 0.000 0.694 244 A CB 1.306 20.303 19.000 -0.005 0.000 1.277 244 A HN 0.808 nan 8.150 nan 0.000 0.400 245 L N 2.204 123.435 121.223 0.013 0.000 2.371 245 L HA 0.841 5.181 4.340 0.000 0.000 0.262 245 L C -0.122 176.765 176.870 0.029 0.000 1.006 245 L CA -0.697 54.161 54.840 0.030 0.000 0.818 245 L CB 2.352 44.438 42.059 0.045 0.000 1.354 245 L HN 0.964 nan 8.230 nan 0.000 0.415 246 M N 1.276 120.904 119.600 0.047 0.000 2.619 246 M HA 0.649 5.129 4.480 0.000 0.000 0.297 246 M C -1.852 174.500 176.300 0.087 0.000 1.229 246 M CA -0.865 54.461 55.300 0.043 0.000 0.860 246 M CB 2.583 35.193 32.600 0.017 0.000 1.741 246 M HN 0.340 nan 8.290 nan 0.000 0.462 247 L N 3.649 124.919 121.223 0.077 0.000 2.296 247 L HA 0.744 5.085 4.340 0.000 0.000 0.286 247 L C -0.923 175.992 176.870 0.076 0.000 1.023 247 L CA -0.557 54.346 54.840 0.104 0.000 0.812 247 L CB 1.375 43.484 42.059 0.084 0.000 1.223 247 L HN 0.806 nan 8.230 nan 0.000 0.421 248 I N 1.609 122.236 120.570 0.096 0.000 2.892 248 I HA 0.851 5.021 4.170 0.000 0.000 0.306 248 I C -1.214 174.935 176.117 0.053 0.000 1.078 248 I CA -0.553 60.799 61.300 0.088 0.000 1.032 248 I CB 2.386 40.465 38.000 0.133 0.000 1.229 248 I HN 0.760 nan 8.210 nan 0.000 0.435 249 E N 1.059 121.287 120.200 0.046 0.000 2.422 249 E HA 0.281 4.631 4.350 0.000 0.000 0.280 249 E C -1.177 175.455 176.600 0.053 0.000 1.091 249 E CA -1.045 55.352 56.400 -0.005 0.000 0.849 249 E CB 1.222 30.897 29.700 -0.042 0.000 1.353 249 E HN 0.758 nan 8.360 nan 0.000 0.449 250 T N -1.989 112.597 114.554 0.052 0.000 2.932 250 T HA 0.004 4.354 4.350 0.000 0.000 0.312 250 T C 0.918 175.689 174.700 0.119 0.000 1.071 250 T CA 0.063 62.218 62.100 0.092 0.000 1.128 250 T CB 1.285 70.208 68.868 0.092 0.000 0.984 250 T HN 0.701 nan 8.240 nan 0.000 0.549 251 E N 0.604 120.873 120.200 0.116 0.000 2.204 251 E HA -0.204 4.146 4.350 0.000 0.000 0.195 251 E C 1.939 178.599 176.600 0.101 0.000 0.990 251 E CA 1.171 57.638 56.400 0.112 0.000 0.821 251 E CB 0.007 29.799 29.700 0.153 0.000 0.750 251 E HN 0.928 nan 8.360 nan 0.000 0.477 252 E N -0.203 120.058 120.200 0.102 0.000 2.106 252 E HA -0.250 4.100 4.350 0.000 0.000 0.192 252 E C 2.142 178.788 176.600 0.076 0.000 0.984 252 E CA 0.924 57.372 56.400 0.080 0.000 0.806 252 E CB -0.164 29.582 29.700 0.075 0.000 0.750 252 E HN 0.367 nan 8.360 nan 0.000 0.458 253 H N -0.081 118.998 119.070 0.016 0.000 2.357 253 H HA -0.034 4.522 4.556 0.000 0.000 0.301 253 H C 1.810 177.128 175.328 -0.017 0.000 1.082 253 H CA 1.673 57.722 56.048 0.002 0.000 1.342 253 H CB 0.070 29.836 29.762 0.008 0.000 1.389 253 H HN 0.287 nan 8.280 nan 0.000 0.511 254 A N 1.549 124.441 122.820 0.119 0.000 1.898 254 A HA -0.107 4.214 4.320 0.000 0.000 0.216 254 A C 2.482 180.046 177.584 -0.033 0.000 1.181 254 A CA 1.103 53.159 52.037 0.032 0.000 0.620 254 A CB -0.381 18.624 19.000 0.007 0.000 0.819 254 A HN 0.244 nan 8.150 nan 0.000 0.442 255 K N -0.103 120.293 120.400 -0.006 0.000 2.001 255 K HA -0.173 4.147 4.320 0.000 0.000 0.214 255 K C 2.142 178.718 176.600 -0.039 0.000 1.050 255 K CA 1.545 57.830 56.287 -0.003 0.000 0.934 255 K CB -0.526 31.993 32.500 0.030 0.000 0.718 255 K HN 0.391 nan 8.250 nan 0.000 0.443 256 A N 1.706 124.487 122.820 -0.064 0.000 2.186 256 A HA -0.184 4.137 4.320 0.000 0.000 0.219 256 A C 1.719 179.231 177.584 -0.120 0.000 1.159 256 A CA 1.685 53.667 52.037 -0.091 0.000 0.680 256 A CB -0.404 18.527 19.000 -0.115 0.000 0.787 256 A HN 0.545 nan 8.150 nan 0.000 0.467 257 R N -2.517 117.900 120.500 -0.139 0.000 2.543 257 R HA 0.411 4.751 4.340 0.000 0.000 0.323 257 R C 0.976 177.216 176.300 -0.099 0.000 1.002 257 R CA 0.578 56.595 56.100 -0.139 0.000 1.106 257 R CB -0.549 29.634 30.300 -0.195 0.000 1.280 257 R HN 0.651 nan 8.270 nan 0.000 0.549 258 G N 0.557 109.313 108.800 -0.074 0.000 2.155 258 G HA2 -0.362 3.598 3.960 0.000 0.000 0.257 258 G HA3 -0.362 3.598 3.960 0.000 0.000 0.257 258 G C 0.306 175.170 174.900 -0.061 0.000 0.983 258 G CA 0.176 45.243 45.100 -0.055 0.000 0.676 258 G HN 0.687 nan 8.290 nan 0.000 0.528 259 A N -0.144 122.630 122.820 -0.076 0.000 2.409 259 A HA 0.638 4.958 4.320 0.000 0.000 0.267 259 A C 0.571 178.100 177.584 -0.093 0.000 1.127 259 A CA 0.582 52.567 52.037 -0.087 0.000 0.795 259 A CB 0.468 19.412 19.000 -0.093 0.000 1.061 259 A HN 0.854 nan 8.150 nan 0.000 0.502 260 K N 4.428 124.774 120.400 -0.089 0.000 2.310 260 K HA 0.399 4.719 4.320 0.000 0.000 0.290 260 K C -2.669 173.831 176.600 -0.167 0.000 1.077 260 K CA -1.528 54.698 56.287 -0.101 0.000 0.922 260 K CB 0.191 32.660 32.500 -0.051 0.000 1.057 260 K HN 0.363 nan 8.250 nan 0.000 0.479 261 P HA 0.005 nan 4.420 nan 0.000 0.269 261 P C -0.107 177.049 177.300 -0.241 0.000 1.215 261 P CA -0.093 62.769 63.100 -0.397 0.000 0.780 261 P CB 0.612 31.741 31.700 -0.951 0.000 0.898 262 L N 0.221 121.353 121.223 -0.152 0.000 2.425 262 L HA 0.468 4.808 4.340 0.000 0.000 0.215 262 L C 1.039 177.888 176.870 -0.035 0.000 1.065 262 L CA 0.392 55.181 54.840 -0.086 0.000 0.842 262 L CB -0.202 41.790 42.059 -0.111 0.000 1.033 262 L HN 0.421 nan 8.230 nan 0.000 0.474 263 A N -0.092 122.716 122.820 -0.020 0.000 2.483 263 A HA 0.730 5.050 4.320 0.000 0.000 0.306 263 A C -1.311 176.358 177.584 0.142 0.000 1.137 263 A CA -0.684 51.403 52.037 0.085 0.000 0.626 263 A CB 1.075 20.098 19.000 0.039 0.000 1.352 263 A HN 0.033 nan 8.150 nan 0.000 0.508 264 R N -0.892 119.753 120.500 0.241 0.000 2.740 264 R HA 0.652 4.992 4.340 0.000 0.000 0.282 264 R C -1.536 174.940 176.300 0.294 0.000 0.969 264 R CA -0.759 55.494 56.100 0.256 0.000 0.918 264 R CB 1.929 32.392 30.300 0.272 0.000 1.175 264 R HN 0.458 nan 8.270 nan 0.000 0.464 265 L N 3.935 125.275 121.223 0.195 0.000 2.283 265 L HA 0.288 4.628 4.340 0.000 0.000 0.281 265 L C -0.050 176.713 176.870 -0.178 0.000 1.033 265 L CA 0.175 54.982 54.840 -0.056 0.000 0.848 265 L CB 0.789 42.857 42.059 0.015 0.000 1.226 265 L HN 0.745 nan 8.230 nan 0.000 0.429 266 L N 3.805 124.844 121.223 -0.307 0.000 2.249 266 L HA 0.482 4.822 4.340 0.000 0.000 0.207 266 L C 1.100 177.647 176.870 -0.538 0.000 1.090 266 L CA 0.520 55.245 54.840 -0.193 0.000 0.802 266 L CB -0.411 41.595 42.059 -0.089 0.000 0.947 266 L HN 0.727 nan 8.230 nan 0.000 0.453 267 G N -0.791 107.350 108.800 -1.097 0.000 2.495 267 G HA2 0.680 4.640 3.960 0.000 0.000 0.294 267 G HA3 0.680 4.640 3.960 0.000 0.000 0.294 267 G C -2.212 171.917 174.900 -1.285 0.000 1.397 267 G CA 0.079 44.227 45.100 -1.588 0.000 0.790 267 G HN 0.072 nan 8.290 nan 0.000 0.486 268 A N -1.120 121.124 122.820 -0.960 0.000 2.517 268 A HA 0.911 5.231 4.320 0.000 0.000 0.297 268 A C -0.216 177.220 177.584 -0.246 0.000 1.050 268 A CA 0.103 51.838 52.037 -0.503 0.000 0.694 268 A CB 1.770 20.533 19.000 -0.395 0.000 1.277 268 A HN 2.107 nan 8.150 nan 0.000 0.400 269 G N 0.664 109.357 108.800 -0.179 0.000 2.566 269 G HA2 0.640 4.600 3.960 0.000 0.000 0.311 269 G HA3 0.640 4.600 3.960 0.000 0.000 0.311 269 G C -1.118 173.751 174.900 -0.053 0.000 1.322 269 G CA -0.457 44.590 45.100 -0.089 0.000 0.969 269 G HN 0.676 nan 8.290 nan 0.000 0.490 270 I N 1.867 122.425 120.570 -0.021 0.000 2.499 270 I HA 0.498 4.669 4.170 0.000 0.000 0.288 270 I C 0.236 176.375 176.117 0.038 0.000 1.048 270 I CA -0.613 60.696 61.300 0.015 0.000 1.062 270 I CB 2.670 40.677 38.000 0.011 0.000 1.238 270 I HN 0.699 nan 8.210 nan 0.000 0.426 271 T N 1.518 116.105 114.554 0.055 0.000 2.716 271 T HA 0.843 5.193 4.350 0.000 0.000 0.286 271 T C -0.470 174.261 174.700 0.051 0.000 1.052 271 T CA -0.695 61.431 62.100 0.044 0.000 1.024 271 T CB 2.011 70.895 68.868 0.026 0.000 1.349 271 T HN 0.568 nan 8.240 nan 0.000 0.525 272 S N -0.737 114.978 115.700 0.023 0.000 2.607 272 S HA 0.572 5.042 4.470 0.000 0.000 0.273 272 S C -0.494 174.101 174.600 -0.009 0.000 1.148 272 S CA -0.776 57.423 58.200 -0.003 0.000 0.833 272 S CB 1.772 64.962 63.200 -0.017 0.000 1.130 272 S HN 0.628 nan 8.310 nan 0.000 0.470 273 D N 0.843 121.235 120.400 -0.012 0.000 2.262 273 D HA 0.319 4.959 4.640 0.000 0.000 0.212 273 D C 1.275 177.619 176.300 0.073 0.000 0.964 273 D CA 1.357 55.372 54.000 0.026 0.000 0.875 273 D CB -0.377 40.457 40.800 0.058 0.000 0.996 273 D HN 1.098 nan 8.370 nan 0.000 0.497 274 A N -0.209 122.639 122.820 0.047 0.000 2.511 274 A HA -0.260 4.060 4.320 0.000 0.000 0.297 274 A C 0.671 178.323 177.584 0.112 0.000 1.476 274 A CA 1.070 53.134 52.037 0.045 0.000 0.757 274 A CB -2.127 16.889 19.000 0.027 0.000 1.072 274 A HN 0.410 nan 8.150 nan 0.000 0.413 275 F N -0.982 118.961 119.950 -0.012 0.000 2.423 275 F HA 0.404 4.931 4.527 0.000 0.000 0.269 275 F C 0.874 176.718 175.800 0.073 0.000 0.880 275 F CA 1.090 59.103 58.000 0.023 0.000 1.134 275 F CB 0.483 39.496 39.000 0.022 0.000 1.143 275 F HN 0.544 nan 8.300 nan 0.000 0.802 276 H N 0.069 119.155 119.070 0.027 0.000 2.985 276 H HA 0.336 4.892 4.556 0.000 0.000 0.360 276 H C 0.401 175.728 175.328 -0.001 0.000 1.221 276 H CA -0.503 55.492 56.048 -0.088 0.000 1.121 276 H CB 2.149 31.924 29.762 0.022 0.000 1.854 276 H HN 0.036 nan 8.280 nan 0.000 0.551 277 M N 2.122 121.563 119.600 -0.264 0.000 2.419 277 M HA -0.046 4.434 4.480 0.000 0.000 0.264 277 M C 1.539 177.863 176.300 0.038 0.000 1.082 277 M CA 1.088 56.324 55.300 -0.107 0.000 1.119 277 M CB -0.134 32.336 32.600 -0.217 0.000 1.398 277 M HN 0.516 nan 8.290 nan 0.000 0.453 278 V N -4.377 115.657 119.914 0.201 0.000 3.245 278 V HA 0.499 4.619 4.120 0.000 0.000 0.246 278 V C 0.888 177.124 176.094 0.238 0.000 1.487 278 V CA -0.054 62.214 62.300 -0.054 0.000 1.154 278 V CB -0.546 30.898 31.823 -0.632 0.000 0.971 278 V HN 0.089 nan 8.190 nan 0.000 0.443 279 A N 2.835 125.794 122.820 0.232 0.000 2.331 279 A HA 0.847 5.167 4.320 0.000 0.000 0.283 279 A C -2.548 175.177 177.584 0.234 0.000 1.142 279 A CA -1.415 50.699 52.037 0.127 0.000 0.812 279 A CB -0.001 18.915 19.000 -0.140 0.000 1.074 279 A HN 0.412 nan 8.150 nan 0.000 0.497 280 P HA 0.371 nan 4.420 nan 0.000 0.276 280 P C -0.200 176.886 177.300 -0.356 0.000 1.244 280 P CA -0.260 62.809 63.100 -0.053 0.000 0.801 280 P CB 0.660 32.284 31.700 -0.127 0.000 1.006 281 A N 1.600 124.107 122.820 -0.522 0.000 2.546 281 A HA 0.312 4.632 4.320 0.000 0.000 0.243 281 A C 1.576 178.807 177.584 -0.588 0.000 1.063 281 A CA 0.479 51.957 52.037 -0.930 0.000 0.757 281 A CB -0.662 18.034 19.000 -0.506 0.000 0.991 281 A HN 0.595 nan 8.150 nan 0.000 0.503 282 A N 2.142 124.609 122.820 -0.589 0.000 2.066 282 A HA -0.062 4.258 4.320 0.000 0.000 0.218 282 A C 1.475 178.933 177.584 -0.209 0.000 1.157 282 A CA 1.662 53.520 52.037 -0.299 0.000 0.670 282 A CB -0.417 18.457 19.000 -0.210 0.000 0.804 282 A HN 0.914 nan 8.150 nan 0.000 0.453 283 D N -1.432 118.833 120.400 -0.225 0.000 2.363 283 D HA 0.170 4.810 4.640 0.000 0.000 0.220 283 D C 1.276 177.492 176.300 -0.139 0.000 0.994 283 D CA 0.789 54.703 54.000 -0.144 0.000 0.890 283 D CB -0.986 39.744 40.800 -0.117 0.000 0.906 283 D HN 0.593 nan 8.370 nan 0.000 0.530 284 G N 0.095 108.780 108.800 -0.191 0.000 2.269 284 G HA2 -0.351 3.609 3.960 0.000 0.000 0.277 284 G HA3 -0.351 3.609 3.960 0.000 0.000 0.277 284 G C 1.068 175.876 174.900 -0.153 0.000 1.008 284 G CA 0.766 45.746 45.100 -0.199 0.000 0.774 284 G HN 0.374 nan 8.290 nan 0.000 0.511 285 V N 0.081 119.918 119.914 -0.128 0.000 2.255 285 V HA -0.095 4.025 4.120 0.000 0.000 0.243 285 V C 2.903 178.955 176.094 -0.070 0.000 1.038 285 V CA 2.267 64.517 62.300 -0.082 0.000 1.008 285 V CB -0.347 31.438 31.823 -0.064 0.000 0.645 285 V HN 0.415 nan 8.190 nan 0.000 0.449 286 R N 0.391 120.846 120.500 -0.076 0.000 2.120 286 R HA -0.036 4.304 4.340 0.000 0.000 0.234 286 R C 2.280 178.546 176.300 -0.057 0.000 1.123 286 R CA 1.472 57.541 56.100 -0.052 0.000 0.975 286 R CB -1.324 28.951 30.300 -0.041 0.000 0.866 286 R HN 0.543 nan 8.270 nan 0.000 0.446 287 A N 0.377 123.124 122.820 -0.121 0.000 1.877 287 A HA -0.056 4.265 4.320 0.000 0.000 0.216 287 A C 2.414 179.985 177.584 -0.021 0.000 1.186 287 A CA 1.802 53.757 52.037 -0.137 0.000 0.620 287 A CB -1.083 17.634 19.000 -0.471 0.000 0.822 287 A HN 0.401 nan 8.150 nan 0.000 0.443 288 G N -0.606 108.168 108.800 -0.044 0.000 2.448 288 G HA2 -0.227 3.733 3.960 0.000 0.000 0.219 288 G HA3 -0.227 3.733 3.960 0.000 0.000 0.219 288 G C 1.630 176.529 174.900 -0.001 0.000 1.127 288 G CA 1.187 46.284 45.100 -0.005 0.000 0.766 288 G HN 0.532 nan 8.290 nan 0.000 0.552 289 R N 1.175 121.669 120.500 -0.009 0.000 2.189 289 R HA 0.244 4.584 4.340 0.000 0.000 0.218 289 R C 2.480 178.781 176.300 0.001 0.000 1.074 289 R CA 1.457 57.553 56.100 -0.006 0.000 0.991 289 R CB -0.637 29.659 30.300 -0.008 0.000 0.883 289 R HN 0.199 nan 8.270 nan 0.000 0.457 290 A N 0.583 123.412 122.820 0.016 0.000 1.873 290 A HA -0.102 4.218 4.320 0.000 0.000 0.215 290 A C 2.155 179.737 177.584 -0.005 0.000 1.186 290 A CA 1.639 53.689 52.037 0.021 0.000 0.616 290 A CB -0.435 18.608 19.000 0.072 0.000 0.823 290 A HN 0.407 nan 8.150 nan 0.000 0.442 291 M N -0.522 119.084 119.600 0.011 0.000 2.149 291 M HA -0.130 4.350 4.480 0.000 0.000 0.261 291 M C 2.161 178.438 176.300 -0.039 0.000 1.064 291 M CA 1.920 57.210 55.300 -0.018 0.000 1.102 291 M CB -0.914 31.690 32.600 0.006 0.000 1.369 291 M HN 0.417 nan 8.290 nan 0.000 0.408 292 T N -0.057 114.482 114.554 -0.024 0.000 2.674 292 T HA -0.153 4.197 4.350 0.000 0.000 0.265 292 T C 1.832 176.512 174.700 -0.034 0.000 1.039 292 T CA 1.543 63.627 62.100 -0.027 0.000 1.150 292 T CB -0.323 68.536 68.868 -0.015 0.000 0.864 292 T HN 0.233 nan 8.240 nan 0.000 0.427 293 R N 1.884 122.367 120.500 -0.028 0.000 2.091 293 R HA -0.098 4.242 4.340 0.000 0.000 0.238 293 R C 2.594 178.858 176.300 -0.061 0.000 1.136 293 R CA 2.110 58.196 56.100 -0.025 0.000 0.959 293 R CB -0.909 29.382 30.300 -0.014 0.000 0.856 293 R HN 0.503 nan 8.270 nan 0.000 0.437 294 S N -0.353 115.281 115.700 -0.109 0.000 2.399 294 S HA -0.110 4.360 4.470 0.000 0.000 0.231 294 S C 2.030 176.521 174.600 -0.181 0.000 1.022 294 S CA 1.243 59.323 58.200 -0.199 0.000 0.983 294 S CB -0.437 62.624 63.200 -0.231 0.000 0.803 294 S HN 0.369 nan 8.310 nan 0.000 0.480 295 L N 1.033 122.183 121.223 -0.121 0.000 2.023 295 L HA -0.013 4.327 4.340 0.000 0.000 0.205 295 L C 3.031 179.859 176.870 -0.069 0.000 1.073 295 L CA 1.571 56.345 54.840 -0.111 0.000 0.745 295 L CB -0.719 41.287 42.059 -0.088 0.000 0.900 295 L HN 0.361 nan 8.230 nan 0.000 0.435 296 E N 0.350 120.530 120.200 -0.033 0.000 2.108 296 E HA -0.290 4.060 4.350 0.000 0.000 0.203 296 E C 2.248 178.885 176.600 0.062 0.000 1.022 296 E CA 1.561 57.968 56.400 0.010 0.000 0.823 296 E CB -0.266 29.449 29.700 0.025 0.000 0.744 296 E HN 0.451 nan 8.360 nan 0.000 0.456 297 L N -0.098 121.173 121.223 0.080 0.000 2.156 297 L HA -0.073 4.267 4.340 0.000 0.000 0.208 297 L C 2.379 179.400 176.870 0.251 0.000 1.095 297 L CA 0.692 55.679 54.840 0.245 0.000 0.770 297 L CB -0.196 41.981 42.059 0.198 0.000 0.914 297 L HN 0.111 nan 8.230 nan 0.000 0.439 298 A N -0.374 122.467 122.820 0.035 0.000 2.169 298 A HA 0.251 4.571 4.320 0.000 0.000 0.212 298 A C 1.576 179.170 177.584 0.016 0.000 1.153 298 A CA 0.745 52.783 52.037 0.002 0.000 0.756 298 A CB -0.374 18.532 19.000 -0.157 0.000 0.813 298 A HN 0.473 nan 8.150 nan 0.000 0.471 299 G N -0.947 107.859 108.800 0.011 0.000 2.303 299 G HA2 -0.152 3.808 3.960 0.000 0.000 0.260 299 G HA3 -0.152 3.808 3.960 0.000 0.000 0.260 299 G C -0.253 174.593 174.900 -0.091 0.000 1.106 299 G CA 0.394 45.486 45.100 -0.014 0.000 0.900 299 G HN 0.464 nan 8.290 nan 0.000 0.495 300 L N -0.402 120.748 121.223 -0.123 0.000 2.283 300 L HA 0.895 5.235 4.340 0.000 0.000 0.259 300 L C 0.621 177.427 176.870 -0.106 0.000 1.027 300 L CA -0.597 54.133 54.840 -0.184 0.000 0.828 300 L CB 2.299 44.172 42.059 -0.310 0.000 1.380 300 L HN 0.521 nan 8.230 nan 0.000 0.425 301 S N -1.462 114.182 115.700 -0.093 0.000 2.634 301 S HA 0.550 5.020 4.470 0.000 0.000 0.296 301 S C -2.490 172.087 174.600 -0.038 0.000 1.104 301 S CA -1.357 56.814 58.200 -0.049 0.000 0.920 301 S CB 2.036 65.221 63.200 -0.024 0.000 1.111 301 S HN 0.329 nan 8.310 nan 0.000 0.493 302 P HA 0.076 nan 4.420 nan 0.000 0.222 302 P C 1.101 178.407 177.300 0.011 0.000 1.147 302 P CA 1.294 64.388 63.100 -0.010 0.000 0.790 302 P CB -0.173 31.523 31.700 -0.007 0.000 0.780 303 A N -0.780 122.050 122.820 0.016 0.000 2.235 303 A HA -0.074 4.246 4.320 0.000 0.000 0.208 303 A C 1.529 179.150 177.584 0.063 0.000 1.172 303 A CA 1.121 53.179 52.037 0.035 0.000 0.786 303 A CB -0.716 18.301 19.000 0.029 0.000 0.804 303 A HN 0.041 nan 8.150 nan 0.000 0.479 304 D N -0.452 119.986 120.400 0.063 0.000 2.324 304 D HA 0.090 4.730 4.640 0.000 0.000 0.212 304 D C 0.456 176.888 176.300 0.219 0.000 0.984 304 D CA 0.123 54.207 54.000 0.140 0.000 0.885 304 D CB 0.033 40.851 40.800 0.030 0.000 0.996 304 D HN 0.198 nan 8.370 nan 0.000 0.505 305 I N 2.263 122.910 120.570 0.128 0.000 2.598 305 I HA -0.061 4.110 4.170 0.000 0.000 0.284 305 I C 1.171 177.378 176.117 0.150 0.000 1.140 305 I CA 0.433 61.818 61.300 0.141 0.000 1.420 305 I CB 0.537 38.570 38.000 0.055 0.000 1.387 305 I HN -0.057 nan 8.210 nan 0.000 0.553 306 D N 3.672 124.189 120.400 0.195 0.000 2.388 306 D HA 0.010 4.650 4.640 0.000 0.000 0.208 306 D C 0.359 176.760 176.300 0.167 0.000 1.035 306 D CA 0.735 54.869 54.000 0.222 0.000 0.875 306 D CB 0.643 41.651 40.800 0.347 0.000 0.984 306 D HN 0.664 nan 8.370 nan 0.000 0.508 307 H N -0.848 118.207 119.070 -0.024 0.000 3.042 307 H HA 0.443 4.999 4.556 0.000 0.000 0.346 307 H C -2.000 173.299 175.328 -0.049 0.000 1.294 307 H CA -0.648 55.324 56.048 -0.127 0.000 1.141 307 H CB 1.308 30.847 29.762 -0.372 0.000 1.872 307 H HN -0.324 nan 8.280 nan 0.000 0.541 308 V N 3.514 122.951 119.914 -0.795 0.000 2.686 308 V HA 0.298 4.418 4.120 0.000 0.000 0.306 308 V C -0.453 175.240 176.094 -0.669 0.000 1.065 308 V CA -1.054 60.864 62.300 -0.637 0.000 0.894 308 V CB 1.816 33.501 31.823 -0.230 0.000 1.004 308 V HN 0.841 nan 8.190 nan 0.000 0.424 309 N N 3.260 121.710 118.700 -0.417 0.000 2.437 309 N HA 0.484 5.224 4.740 0.000 0.000 0.243 309 N C -0.190 175.258 175.510 -0.104 0.000 1.041 309 N CA -0.073 52.901 53.050 -0.127 0.000 0.940 309 N CB 1.708 40.179 38.487 -0.027 0.000 1.133 309 N HN 0.887 nan 8.380 nan 0.000 0.506 310 A N 2.966 125.754 122.820 -0.052 0.000 2.331 310 A HA 0.161 4.481 4.320 0.000 0.000 0.283 310 A C 1.207 178.772 177.584 -0.031 0.000 1.142 310 A CA -0.353 51.710 52.037 0.043 0.000 0.812 310 A CB 0.350 19.514 19.000 0.272 0.000 1.074 310 A HN 0.912 nan 8.150 nan 0.000 0.497 311 H N 2.959 121.926 119.070 -0.172 0.000 2.292 311 H HA -0.089 4.467 4.556 0.000 0.000 0.292 311 H C 1.507 176.720 175.328 -0.191 0.000 1.100 311 H CA 2.217 58.106 56.048 -0.266 0.000 1.238 311 H CB -0.359 29.170 29.762 -0.388 0.000 1.355 311 H HN 1.298 nan 8.280 nan 0.000 0.484 312 G N -0.028 108.726 108.800 -0.077 0.000 2.186 312 G HA2 -0.292 3.669 3.960 0.000 0.000 0.229 312 G HA3 -0.292 3.669 3.960 0.000 0.000 0.229 312 G C 0.960 175.672 174.900 -0.314 0.000 0.553 312 G CA 0.893 45.824 45.100 -0.283 0.000 1.032 312 G HN 0.803 nan 8.290 nan 0.000 0.354 313 T N -0.981 113.447 114.554 -0.210 0.000 3.054 313 T HA 0.474 4.824 4.350 0.000 0.000 0.259 313 T C 1.845 176.542 174.700 -0.005 0.000 1.092 313 T CA 1.451 63.486 62.100 -0.109 0.000 1.121 313 T CB 0.210 69.111 68.868 0.056 0.000 0.912 313 T HN 2.438 nan 8.240 nan 0.000 0.489 314 A N 0.872 123.641 122.820 -0.085 0.000 3.447 314 A HA -0.092 4.229 4.320 0.000 0.000 0.239 314 A C 0.803 178.386 177.584 -0.002 0.000 1.238 314 A CA 0.714 52.715 52.037 -0.060 0.000 1.344 314 A CB -2.886 16.104 19.000 -0.017 0.000 1.092 314 A HN 1.238 nan 8.150 nan 0.000 0.899 315 T N -2.684 111.893 114.554 0.038 0.000 2.899 315 T HA 0.549 4.899 4.350 0.000 0.000 0.295 315 T C -0.991 173.721 174.700 0.021 0.000 1.033 315 T CA -0.897 61.237 62.100 0.057 0.000 1.084 315 T CB 1.155 70.097 68.868 0.123 0.000 0.979 315 T HN 0.028 nan 8.240 nan 0.000 0.532 316 P HA -0.116 nan 4.420 nan 0.000 0.212 316 P C 1.870 179.183 177.300 0.022 0.000 1.178 316 P CA 1.253 64.365 63.100 0.020 0.000 0.915 316 P CB -0.185 31.527 31.700 0.020 0.000 0.788 317 I N -3.341 117.245 120.570 0.026 0.000 2.394 317 I HA -0.043 4.127 4.170 0.000 0.000 0.251 317 I C 2.101 178.230 176.117 0.021 0.000 1.136 317 I CA 1.927 63.237 61.300 0.016 0.000 1.425 317 I CB -1.555 36.451 38.000 0.011 0.000 1.079 317 I HN -0.116 nan 8.210 nan 0.000 0.425 318 G N 1.896 110.725 108.800 0.049 0.000 2.545 318 G HA2 -0.265 3.696 3.960 0.000 0.000 0.217 318 G HA3 -0.265 3.696 3.960 0.000 0.000 0.217 318 G C 1.214 176.133 174.900 0.032 0.000 1.218 318 G CA 1.349 46.491 45.100 0.070 0.000 0.787 318 G HN 0.437 nan 8.290 nan 0.000 0.571 319 D N 0.961 121.335 120.400 -0.042 0.000 2.183 319 D HA 0.035 4.675 4.640 0.000 0.000 0.203 319 D C 2.788 179.148 176.300 0.099 0.000 0.969 319 D CA 1.003 54.926 54.000 -0.130 0.000 0.842 319 D CB -0.408 40.094 40.800 -0.497 0.000 0.957 319 D HN 0.313 nan 8.370 nan 0.000 0.484 320 A N 1.373 124.236 122.820 0.071 0.000 1.902 320 A HA -0.078 4.243 4.320 0.000 0.000 0.217 320 A C 2.352 179.965 177.584 0.048 0.000 1.181 320 A CA 2.114 54.201 52.037 0.084 0.000 0.623 320 A CB -0.631 18.394 19.000 0.042 0.000 0.818 320 A HN 0.239 nan 8.150 nan 0.000 0.443 321 A N -0.360 122.459 122.820 -0.003 0.000 1.902 321 A HA -0.188 4.132 4.320 0.000 0.000 0.217 321 A C 2.031 179.580 177.584 -0.059 0.000 1.181 321 A CA 1.881 53.871 52.037 -0.078 0.000 0.623 321 A CB -0.541 18.369 19.000 -0.149 0.000 0.818 321 A HN 0.678 nan 8.150 nan 0.000 0.443 322 E N -0.175 120.051 120.200 0.043 0.000 2.106 322 E HA -0.080 4.271 4.350 0.000 0.000 0.192 322 E C 2.100 178.818 176.600 0.197 0.000 0.984 322 E CA 1.007 57.506 56.400 0.165 0.000 0.806 322 E CB -0.286 29.662 29.700 0.413 0.000 0.750 322 E HN 0.522 nan 8.360 nan 0.000 0.458 323 A N 1.323 124.290 122.820 0.245 0.000 1.917 323 A HA -0.251 4.069 4.320 0.000 0.000 0.219 323 A C 2.026 179.640 177.584 0.051 0.000 1.182 323 A CA 1.825 53.947 52.037 0.141 0.000 0.633 323 A CB -0.705 18.392 19.000 0.162 0.000 0.819 323 A HN 0.281 nan 8.150 nan 0.000 0.448 324 N N 0.090 118.807 118.700 0.030 0.000 2.188 324 N HA -0.066 4.674 4.740 0.000 0.000 0.184 324 N C 1.935 177.432 175.510 -0.022 0.000 1.018 324 N CA 1.385 54.429 53.050 -0.009 0.000 0.858 324 N CB -0.552 37.915 38.487 -0.034 0.000 0.989 324 N HN 0.459 nan 8.380 nan 0.000 0.426 325 A N 1.274 124.074 122.820 -0.032 0.000 1.892 325 A HA -0.133 4.187 4.320 0.000 0.000 0.218 325 A C 2.311 179.897 177.584 0.004 0.000 1.188 325 A CA 1.154 53.168 52.037 -0.038 0.000 0.631 325 A CB -0.740 18.219 19.000 -0.067 0.000 0.822 325 A HN 0.246 nan 8.150 nan 0.000 0.447 326 I N -1.044 119.542 120.570 0.027 0.000 2.315 326 I HA -0.237 3.933 4.170 0.000 0.000 0.248 326 I C 2.769 178.885 176.117 -0.003 0.000 1.117 326 I CA 1.137 62.447 61.300 0.017 0.000 1.404 326 I CB -0.265 37.739 38.000 0.008 0.000 1.071 326 I HN 0.285 nan 8.210 nan 0.000 0.419 327 R N 0.100 120.595 120.500 -0.007 0.000 2.066 327 R HA -0.111 4.229 4.340 0.000 0.000 0.232 327 R C 2.346 178.640 176.300 -0.010 0.000 1.131 327 R CA 1.291 57.386 56.100 -0.010 0.000 0.955 327 R CB -0.711 29.583 30.300 -0.009 0.000 0.851 327 R HN 0.178 nan 8.270 nan 0.000 0.432 328 V N 1.496 121.402 119.914 -0.014 0.000 2.250 328 V HA -0.336 3.785 4.120 0.000 0.000 0.253 328 V C 2.448 178.535 176.094 -0.012 0.000 1.065 328 V CA 2.251 64.541 62.300 -0.016 0.000 1.039 328 V CB -0.778 31.030 31.823 -0.026 0.000 0.647 328 V HN 0.484 nan 8.190 nan 0.000 0.446 329 A N -1.046 121.768 122.820 -0.009 0.000 2.067 329 A HA 0.246 4.566 4.320 0.000 0.000 0.219 329 A C 1.977 179.556 177.584 -0.009 0.000 1.158 329 A CA 1.416 53.448 52.037 -0.008 0.000 0.661 329 A CB -0.646 18.352 19.000 -0.003 0.000 0.801 329 A HN 1.552 nan 8.150 nan 0.000 0.452 330 G N -2.859 105.937 108.800 -0.007 0.000 2.142 330 G HA2 -0.235 3.725 3.960 0.000 0.000 0.225 330 G HA3 -0.235 3.725 3.960 0.000 0.000 0.225 330 G C 0.282 175.180 174.900 -0.004 0.000 1.015 330 G CA 0.148 45.245 45.100 -0.005 0.000 0.716 330 G HN 0.794 nan 8.290 nan 0.000 0.508 331 C N 1.197 120.493 119.300 -0.007 0.000 2.647 331 C HA 0.339 4.799 4.460 0.000 0.000 0.296 331 C C 1.517 176.499 174.990 -0.014 0.000 1.403 331 C CA -0.209 58.805 59.018 -0.007 0.000 1.781 331 C CB -0.492 27.240 27.740 -0.013 0.000 2.464 331 C HN 0.668 nan 8.230 nan 0.000 0.559 332 D N 0.136 120.527 120.400 -0.015 0.000 2.319 332 D HA -0.063 4.577 4.640 0.000 0.000 0.230 332 D C 1.358 177.647 176.300 -0.018 0.000 1.094 332 D CA 0.499 54.483 54.000 -0.027 0.000 0.856 332 D CB 0.037 40.821 40.800 -0.027 0.000 0.915 332 D HN 0.394 nan 8.370 nan 0.000 0.517 333 Q N 0.255 120.053 119.800 -0.002 0.000 2.396 333 Q HA 0.264 4.604 4.340 0.000 0.000 0.209 333 Q C 0.939 176.952 176.000 0.021 0.000 0.906 333 Q CA 0.060 55.870 55.803 0.011 0.000 0.927 333 Q CB 0.481 29.232 28.738 0.022 0.000 1.069 333 Q HN 0.383 nan 8.270 nan 0.000 0.523 334 A N 1.339 124.169 122.820 0.016 0.000 2.448 334 A HA 0.464 4.785 4.320 0.000 0.000 0.239 334 A C 0.068 177.664 177.584 0.020 0.000 1.080 334 A CA 0.282 52.337 52.037 0.031 0.000 0.779 334 A CB 0.183 19.188 19.000 0.009 0.000 1.026 334 A HN 0.241 nan 8.150 nan 0.000 0.499 335 A N 1.225 124.077 122.820 0.052 0.000 2.362 335 A HA 0.532 4.852 4.320 0.000 0.000 0.276 335 A C -0.213 177.434 177.584 0.105 0.000 1.153 335 A CA -0.297 51.767 52.037 0.044 0.000 0.813 335 A CB 0.059 19.074 19.000 0.025 0.000 1.081 335 A HN 0.990 nan 8.150 nan 0.000 0.507 336 V N 3.967 123.892 119.914 0.017 0.000 2.370 336 V HA 0.305 4.425 4.120 0.000 0.000 0.283 336 V C -0.726 175.435 176.094 0.112 0.000 1.023 336 V CA -0.359 61.943 62.300 0.004 0.000 0.857 336 V CB 0.915 32.617 31.823 -0.203 0.000 0.985 336 V HN 0.787 nan 8.190 nan 0.000 0.443 337 Y N 4.183 124.535 120.300 0.087 0.000 2.409 337 Y HA 0.762 5.312 4.550 0.000 0.000 0.339 337 Y C -0.037 175.920 175.900 0.095 0.000 1.033 337 Y CA -1.719 56.435 58.100 0.090 0.000 1.094 337 Y CB 1.996 40.554 38.460 0.163 0.000 1.210 337 Y HN 0.607 nan 8.280 nan 0.000 0.456 338 A N 8.523 131.122 122.820 -0.369 0.000 2.815 338 A HA 0.422 4.742 4.320 0.000 0.000 0.318 338 A C -2.355 174.877 177.584 -0.587 0.000 1.186 338 A CA -1.377 50.444 52.037 -0.361 0.000 0.754 338 A CB 0.419 19.432 19.000 0.023 0.000 1.151 338 A HN 0.605 nan 8.150 nan 0.000 0.452 339 P HA -0.198 nan 4.420 nan 0.000 0.221 339 P C 0.977 178.139 177.300 -0.231 0.000 1.145 339 P CA 1.143 63.899 63.100 -0.573 0.000 0.795 339 P CB 0.231 31.694 31.700 -0.395 0.000 0.775 340 K N 0.390 120.646 120.400 -0.240 0.000 2.442 340 K HA -0.052 4.268 4.320 0.000 0.000 0.198 340 K C 2.200 178.758 176.600 -0.071 0.000 1.044 340 K CA 1.357 57.549 56.287 -0.159 0.000 0.948 340 K CB -0.303 32.062 32.500 -0.224 0.000 0.762 340 K HN 0.273 nan 8.250 nan 0.000 0.472 341 S N -0.001 115.662 115.700 -0.061 0.000 2.423 341 S HA -0.067 4.404 4.470 0.000 0.000 0.231 341 S C 1.906 176.526 174.600 0.034 0.000 1.014 341 S CA 0.875 59.080 58.200 0.009 0.000 0.965 341 S CB 0.140 63.371 63.200 0.051 0.000 0.785 341 S HN 0.300 nan 8.310 nan 0.000 0.495 342 A N 0.329 123.170 122.820 0.035 0.000 2.074 342 A HA 0.590 4.910 4.320 0.000 0.000 0.200 342 A C 1.835 179.446 177.584 0.045 0.000 1.335 342 A CA -0.095 51.975 52.037 0.055 0.000 0.922 342 A CB -0.007 19.047 19.000 0.090 0.000 0.972 342 A HN 0.415 nan 8.150 nan 0.000 0.475 343 L N -1.013 120.227 121.223 0.028 0.000 2.609 343 L HA 0.387 4.727 4.340 0.000 0.000 0.230 343 L C 1.321 178.205 176.870 0.022 0.000 1.087 343 L CA 0.515 55.373 54.840 0.029 0.000 0.874 343 L CB 0.134 42.210 42.059 0.027 0.000 1.114 343 L HN 0.593 nan 8.230 nan 0.000 0.488 344 G N 0.023 108.830 108.800 0.012 0.000 2.681 344 G HA2 -0.273 3.687 3.960 0.000 0.000 0.220 344 G HA3 -0.273 3.687 3.960 0.000 0.000 0.220 344 G C -0.831 174.092 174.900 0.039 0.000 1.353 344 G CA -0.565 44.568 45.100 0.054 0.000 0.872 344 G HN 0.237 nan 8.290 nan 0.000 0.557 345 H N 0.749 119.824 119.070 0.008 0.000 2.504 345 H HA 0.632 5.188 4.556 0.000 0.000 0.322 345 H C 1.127 176.432 175.328 -0.038 0.000 1.055 345 H CA 0.043 56.022 56.048 -0.115 0.000 1.231 345 H CB 1.145 30.702 29.762 -0.342 0.000 1.417 345 H HN 0.813 nan 8.280 nan 0.000 0.472 346 S N 5.744 121.570 115.700 0.211 0.000 2.588 346 S HA 0.161 4.631 4.470 0.000 0.000 0.245 346 S C 1.331 175.999 174.600 0.112 0.000 1.021 346 S CA -0.469 57.798 58.200 0.112 0.000 1.006 346 S CB -0.115 63.106 63.200 0.035 0.000 0.830 346 S HN 0.562 nan 8.310 nan 0.000 0.468 347 I N 1.743 122.464 120.570 0.252 0.000 4.904 347 I HA -0.386 3.784 4.170 0.000 0.000 0.038 347 I C 2.254 178.421 176.117 0.082 0.000 0.635 347 I CA 2.053 63.404 61.300 0.085 0.000 0.228 347 I CB -2.186 35.781 38.000 -0.055 0.000 0.331 347 I HN 0.453 nan 8.210 nan 0.000 0.150 348 G N 0.009 108.834 108.800 0.041 0.000 2.471 348 G HA2 0.092 4.052 3.960 0.000 0.000 0.219 348 G HA3 0.092 4.052 3.960 0.000 0.000 0.219 348 G C 1.460 176.374 174.900 0.023 0.000 1.125 348 G CA 1.673 46.791 45.100 0.030 0.000 0.775 348 G HN 0.980 nan 8.290 nan 0.000 0.548 349 A N -0.370 122.464 122.820 0.024 0.000 2.095 349 A HA 0.374 4.694 4.320 0.000 0.000 0.212 349 A C 2.315 179.895 177.584 -0.006 0.000 1.162 349 A CA 0.899 52.946 52.037 0.015 0.000 0.753 349 A CB -0.215 18.800 19.000 0.025 0.000 0.840 349 A HN 0.228 nan 8.150 nan 0.000 0.468 350 V N 0.138 120.038 119.914 -0.023 0.000 2.594 350 V HA -0.141 3.979 4.120 0.000 0.000 0.253 350 V C 2.381 178.414 176.094 -0.102 0.000 1.069 350 V CA 2.183 64.427 62.300 -0.092 0.000 1.082 350 V CB -0.556 31.136 31.823 -0.220 0.000 0.680 350 V HN 0.550 nan 8.190 nan 0.000 0.469 351 G N -1.167 107.596 108.800 -0.062 0.000 2.403 351 G HA2 -0.115 3.845 3.960 0.000 0.000 0.216 351 G HA3 -0.115 3.845 3.960 0.000 0.000 0.216 351 G C 1.726 176.611 174.900 -0.024 0.000 1.154 351 G CA 0.854 45.924 45.100 -0.049 0.000 0.784 351 G HN 0.645 nan 8.290 nan 0.000 0.538 352 A N 0.587 123.401 122.820 -0.011 0.000 1.873 352 A HA 0.102 4.422 4.320 0.000 0.000 0.215 352 A C 2.331 179.903 177.584 -0.021 0.000 1.186 352 A CA 1.584 53.623 52.037 0.002 0.000 0.616 352 A CB -0.557 18.450 19.000 0.011 0.000 0.823 352 A HN 0.395 nan 8.150 nan 0.000 0.442 353 L N 0.361 121.567 121.223 -0.029 0.000 1.971 353 L HA -0.217 4.123 4.340 0.000 0.000 0.215 353 L C 2.169 179.008 176.870 -0.052 0.000 1.072 353 L CA 2.666 57.485 54.840 -0.035 0.000 0.758 353 L CB -0.773 41.271 42.059 -0.026 0.000 0.889 353 L HN 0.548 nan 8.230 nan 0.000 0.433 354 E N -1.214 118.949 120.200 -0.062 0.000 2.333 354 E HA -0.152 4.198 4.350 0.000 0.000 0.198 354 E C 2.100 178.661 176.600 -0.065 0.000 1.007 354 E CA 0.957 57.318 56.400 -0.065 0.000 0.845 354 E CB -0.057 29.577 29.700 -0.110 0.000 0.766 354 E HN 0.499 nan 8.360 nan 0.000 0.507 355 S N 0.167 115.829 115.700 -0.063 0.000 2.368 355 S HA -0.102 4.368 4.470 0.000 0.000 0.224 355 S C 2.130 176.538 174.600 -0.321 0.000 1.029 355 S CA 0.591 58.729 58.200 -0.105 0.000 0.988 355 S CB 0.015 63.242 63.200 0.045 0.000 0.838 355 S HN 0.081 nan 8.310 nan 0.000 0.462 356 V N 2.448 122.231 119.914 -0.218 0.000 2.343 356 V HA -0.141 3.979 4.120 0.000 0.000 0.247 356 V C 2.166 178.060 176.094 -0.333 0.000 1.051 356 V CA 1.432 63.574 62.300 -0.263 0.000 1.036 356 V CB -0.693 31.033 31.823 -0.161 0.000 0.654 356 V HN 0.434 nan 8.190 nan 0.000 0.451 357 L N -0.398 120.688 121.223 -0.229 0.000 2.042 357 L HA -0.211 4.130 4.340 0.000 0.000 0.210 357 L C 2.607 179.306 176.870 -0.285 0.000 1.076 357 L CA 2.114 56.808 54.840 -0.242 0.000 0.749 357 L CB -1.307 40.819 42.059 0.111 0.000 0.893 357 L HN 0.350 nan 8.230 nan 0.000 0.432 358 T N -0.399 114.049 114.554 -0.178 0.000 2.803 358 T HA -0.162 4.188 4.350 0.000 0.000 0.269 358 T C 2.001 176.521 174.700 -0.299 0.000 1.052 358 T CA 1.222 63.241 62.100 -0.135 0.000 1.136 358 T CB -0.190 68.607 68.868 -0.118 0.000 0.864 358 T HN 0.074 nan 8.240 nan 0.000 0.467 359 V N 1.310 120.919 119.914 -0.509 0.000 2.323 359 V HA -0.042 4.078 4.120 0.000 0.000 0.244 359 V C 2.415 178.270 176.094 -0.399 0.000 1.041 359 V CA 1.304 63.328 62.300 -0.461 0.000 1.025 359 V CB -0.498 31.032 31.823 -0.487 0.000 0.656 359 V HN 0.471 nan 8.190 nan 0.000 0.451 360 L N -0.472 120.375 121.223 -0.626 0.000 2.191 360 L HA -0.152 4.188 4.340 0.000 0.000 0.212 360 L C 2.500 178.942 176.870 -0.713 0.000 1.103 360 L CA 1.572 55.842 54.840 -0.950 0.000 0.769 360 L CB -1.047 39.880 42.059 -1.886 0.000 0.908 360 L HN 0.373 nan 8.230 nan 0.000 0.438 361 T N 0.308 114.592 114.554 -0.449 0.000 2.777 361 T HA -0.078 4.272 4.350 0.000 0.000 0.266 361 T C 1.941 176.695 174.700 0.089 0.000 1.040 361 T CA 1.046 63.169 62.100 0.037 0.000 1.141 361 T CB -0.068 68.815 68.868 0.025 0.000 0.868 361 T HN 0.223 nan 8.240 nan 0.000 0.444 362 L N 0.436 121.668 121.223 0.016 0.000 2.395 362 L HA 0.158 4.499 4.340 0.000 0.000 0.218 362 L C 2.668 179.574 176.870 0.060 0.000 1.130 362 L CA 0.639 55.529 54.840 0.083 0.000 0.826 362 L CB -0.330 41.772 42.059 0.072 0.000 0.941 362 L HN 0.120 nan 8.230 nan 0.000 0.451 363 R N 0.011 120.512 120.500 0.002 0.000 2.161 363 R HA -0.080 4.260 4.340 0.000 0.000 0.213 363 R C 0.610 176.948 176.300 0.064 0.000 1.055 363 R CA 1.162 57.269 56.100 0.012 0.000 0.996 363 R CB 0.311 30.576 30.300 -0.059 0.000 0.901 363 R HN 0.270 nan 8.270 nan 0.000 0.456 364 D N -1.674 118.796 120.400 0.116 0.000 2.500 364 D HA 0.179 4.820 4.640 0.000 0.000 0.218 364 D C 0.629 177.044 176.300 0.191 0.000 1.140 364 D CA 0.768 54.874 54.000 0.177 0.000 0.830 364 D CB 1.193 42.165 40.800 0.287 0.000 1.055 364 D HN 0.328 nan 8.370 nan 0.000 0.512 365 G N 1.144 110.061 108.800 0.195 0.000 2.160 365 G HA2 -0.209 3.751 3.960 0.000 0.000 0.251 365 G HA3 -0.209 3.751 3.960 0.000 0.000 0.251 365 G C 0.077 175.133 174.900 0.260 0.000 1.008 365 G CA 0.618 45.825 45.100 0.179 0.000 0.724 365 G HN 0.409 nan 8.290 nan 0.000 0.514 366 V N 0.329 120.408 119.914 0.275 0.000 2.823 366 V HA 0.838 4.958 4.120 0.000 0.000 0.312 366 V C -0.347 175.718 176.094 -0.047 0.000 1.072 366 V CA -1.251 61.056 62.300 0.012 0.000 0.937 366 V CB 1.878 33.488 31.823 -0.354 0.000 1.013 366 V HN 0.394 nan 8.190 nan 0.000 0.430 367 I N 6.532 126.926 120.570 -0.293 0.000 2.447 367 I HA 0.488 4.658 4.170 0.000 0.000 0.287 367 I C -2.515 173.219 176.117 -0.637 0.000 1.023 367 I CA -2.157 58.850 61.300 -0.490 0.000 1.083 367 I CB 1.954 39.579 38.000 -0.624 0.000 1.245 367 I HN 0.440 nan 8.210 nan 0.000 0.434 368 P HA 0.109 nan 4.420 nan 0.000 0.271 368 P C -2.504 174.426 177.300 -0.617 0.000 1.233 368 P CA -1.085 61.538 63.100 -0.795 0.000 0.789 368 P CB -0.343 30.851 31.700 -0.842 0.000 0.951 369 P HA 0.015 nan 4.420 nan 0.000 0.271 369 P C -0.572 176.760 177.300 0.053 0.000 1.220 369 P CA 0.346 63.377 63.100 -0.113 0.000 0.768 369 P CB -0.049 31.611 31.700 -0.067 0.000 0.848 370 T N 5.120 119.763 114.554 0.148 0.000 2.743 370 T HA 0.197 4.547 4.350 0.000 0.000 0.290 370 T C 0.838 175.646 174.700 0.180 0.000 0.908 370 T CA -0.206 62.038 62.100 0.240 0.000 1.092 370 T CB -0.402 68.571 68.868 0.175 0.000 0.882 370 T HN 0.192 nan 8.240 nan 0.000 0.531 371 L N 3.719 125.037 121.223 0.158 0.000 2.482 371 L HA 0.107 4.448 4.340 0.000 0.000 0.273 371 L C 1.150 178.105 176.870 0.142 0.000 1.228 371 L CA -0.435 54.479 54.840 0.123 0.000 0.827 371 L CB -0.001 42.112 42.059 0.089 0.000 1.099 371 L HN 0.668 nan 8.230 nan 0.000 0.494 372 N N -0.973 117.796 118.700 0.115 0.000 2.900 372 N HA -0.299 4.441 4.740 0.000 0.000 0.240 372 N C -0.363 175.228 175.510 0.136 0.000 0.953 372 N CA 1.078 54.188 53.050 0.100 0.000 0.950 372 N CB -1.495 37.039 38.487 0.078 0.000 1.102 372 N HN 0.602 nan 8.380 nan 0.000 0.593 373 Y N 1.886 122.222 120.300 0.060 0.000 2.585 373 Y HA 0.248 4.798 4.550 0.000 0.000 0.354 373 Y C 1.283 177.214 175.900 0.052 0.000 1.024 373 Y CA 0.569 58.711 58.100 0.070 0.000 1.321 373 Y CB 0.202 38.718 38.460 0.093 0.000 1.151 373 Y HN 0.081 nan 8.280 nan 0.000 0.525 374 E N 1.430 121.458 120.200 -0.286 0.000 2.555 374 E HA 0.121 4.471 4.350 0.000 0.000 0.209 374 E C -0.408 176.041 176.600 -0.250 0.000 0.847 374 E CA 0.171 56.456 56.400 -0.191 0.000 1.438 374 E CB 0.981 30.636 29.700 -0.075 0.000 1.420 374 E HN 0.368 nan 8.360 nan 0.000 0.755 375 T N 3.519 117.882 114.554 -0.319 0.000 3.060 375 T HA 0.299 4.649 4.350 0.000 0.000 0.367 375 T C -2.779 171.741 174.700 -0.300 0.000 1.229 375 T CA -1.483 60.478 62.100 -0.233 0.000 1.104 375 T CB 1.285 70.080 68.868 -0.122 0.000 1.083 375 T HN -0.166 nan 8.240 nan 0.000 0.524 376 P HA -0.009 nan 4.420 nan 0.000 0.260 376 P C -0.174 177.116 177.300 -0.017 0.000 1.172 376 P CA 0.106 63.112 63.100 -0.156 0.000 0.760 376 P CB 0.434 32.123 31.700 -0.018 0.000 0.773 377 D N 4.915 125.359 120.400 0.073 0.000 2.264 377 D HA 0.127 4.767 4.640 0.000 0.000 0.250 377 D C -1.663 174.689 176.300 0.088 0.000 1.113 377 D CA -2.058 51.992 54.000 0.083 0.000 0.871 377 D CB 1.117 41.994 40.800 0.129 0.000 1.167 377 D HN 0.143 nan 8.370 nan 0.000 0.447 378 P HA 0.053 nan 4.420 nan 0.000 0.237 378 P C 0.477 177.807 177.300 0.050 0.000 1.178 378 P CA 0.454 63.583 63.100 0.048 0.000 0.766 378 P CB 0.494 32.214 31.700 0.032 0.000 0.876 379 E N -1.131 119.107 120.200 0.062 0.000 2.481 379 E HA 0.123 4.473 4.350 0.000 0.000 0.198 379 E C 1.346 177.993 176.600 0.078 0.000 1.027 379 E CA 0.080 56.515 56.400 0.058 0.000 0.900 379 E CB 0.212 29.943 29.700 0.052 0.000 0.993 379 E HN 0.233 nan 8.360 nan 0.000 0.482 380 I N 0.213 120.844 120.570 0.102 0.000 2.681 380 I HA -0.034 4.136 4.170 0.000 0.000 0.247 380 I C 0.340 176.482 176.117 0.042 0.000 1.091 380 I CA 0.436 61.806 61.300 0.117 0.000 1.442 380 I CB -0.743 37.378 38.000 0.202 0.000 1.219 380 I HN -0.012 nan 8.210 nan 0.000 0.451 381 D N 1.609 122.035 120.400 0.043 0.000 2.927 381 D HA -0.181 4.459 4.640 0.000 0.000 0.236 381 D C -0.770 175.513 176.300 -0.029 0.000 1.163 381 D CA 0.540 54.550 54.000 0.016 0.000 0.801 381 D CB -0.834 39.975 40.800 0.015 0.000 0.975 381 D HN 0.152 nan 8.370 nan 0.000 0.413 382 L N 0.731 121.918 121.223 -0.061 0.000 2.422 382 L HA 0.336 4.676 4.340 0.000 0.000 0.264 382 L C 0.129 176.923 176.870 -0.126 0.000 0.984 382 L CA -1.131 53.623 54.840 -0.143 0.000 0.819 382 L CB 1.848 43.708 42.059 -0.331 0.000 1.330 382 L HN -0.122 nan 8.230 nan 0.000 0.410 383 D N 2.235 122.570 120.400 -0.108 0.000 2.541 383 D HA 0.151 4.791 4.640 0.000 0.000 0.231 383 D C -0.516 175.706 176.300 -0.130 0.000 1.163 383 D CA -0.004 53.950 54.000 -0.077 0.000 1.077 383 D CB 0.166 40.946 40.800 -0.034 0.000 1.110 383 D HN 0.060 nan 8.370 nan 0.000 0.499 384 V N 3.439 123.224 119.914 -0.215 0.000 2.455 384 V HA 0.094 4.214 4.120 0.000 0.000 0.273 384 V C 0.697 176.670 176.094 -0.201 0.000 1.045 384 V CA -0.862 61.238 62.300 -0.333 0.000 0.976 384 V CB 1.343 32.683 31.823 -0.805 0.000 0.993 384 V HN 0.135 nan 8.190 nan 0.000 0.475 385 V N 5.259 125.113 119.914 -0.101 0.000 2.479 385 V HA 0.617 4.737 4.120 0.000 0.000 0.281 385 V C 0.592 176.665 176.094 -0.034 0.000 1.031 385 V CA 0.493 62.759 62.300 -0.057 0.000 1.038 385 V CB 0.374 32.152 31.823 -0.076 0.000 0.981 385 V HN 1.098 nan 8.190 nan 0.000 0.478 386 A N 3.629 126.447 122.820 -0.004 0.000 2.602 386 A HA 0.813 5.133 4.320 0.000 0.000 0.290 386 A C 0.981 178.593 177.584 0.047 0.000 1.114 386 A CA 0.054 52.124 52.037 0.055 0.000 0.683 386 A CB 1.205 20.305 19.000 0.167 0.000 1.281 386 A HN 1.753 nan 8.150 nan 0.000 0.416 387 G N -0.784 108.051 108.800 0.058 0.000 2.530 387 G HA2 -0.178 3.782 3.960 0.000 0.000 0.247 387 G HA3 -0.178 3.782 3.960 0.000 0.000 0.247 387 G C 0.217 175.121 174.900 0.007 0.000 1.067 387 G CA 1.720 46.844 45.100 0.040 0.000 0.650 387 G HN 1.358 nan 8.290 nan 0.000 0.531 388 E N -0.150 120.041 120.200 -0.015 0.000 2.378 388 E HA 0.553 4.904 4.350 0.000 0.000 0.283 388 E C -2.895 173.652 176.600 -0.088 0.000 0.979 388 E CA -1.543 54.835 56.400 -0.036 0.000 0.795 388 E CB 1.891 31.590 29.700 -0.002 0.000 1.221 388 E HN 0.047 nan 8.360 nan 0.000 0.428 389 P HA 0.103 nan 4.420 nan 0.000 0.266 389 P C -1.019 176.125 177.300 -0.261 0.000 1.215 389 P CA 0.028 62.954 63.100 -0.290 0.000 0.763 389 P CB 0.360 31.837 31.700 -0.371 0.000 0.806 390 R N 3.660 124.001 120.500 -0.265 0.000 2.297 390 R HA 0.347 4.687 4.340 0.000 0.000 0.308 390 R C -0.775 175.417 176.300 -0.181 0.000 1.029 390 R CA -0.323 55.707 56.100 -0.116 0.000 0.929 390 R CB 0.272 30.555 30.300 -0.029 0.000 1.046 390 R HN 0.366 nan 8.270 nan 0.000 0.461 391 Y N 1.537 121.853 120.300 0.026 0.000 2.496 391 Y HA 0.717 5.267 4.550 0.000 0.000 0.331 391 Y C 0.864 176.667 175.900 -0.161 0.000 1.140 391 Y CA 0.043 58.131 58.100 -0.021 0.000 1.166 391 Y CB 2.594 41.020 38.460 -0.057 0.000 1.249 391 Y HN 0.841 nan 8.280 nan 0.000 0.479 392 G N 0.375 108.990 108.800 -0.308 0.000 2.368 392 G HA2 0.194 4.154 3.960 0.000 0.000 0.293 392 G HA3 0.194 4.154 3.960 0.000 0.000 0.293 392 G C -2.033 172.374 174.900 -0.821 0.000 1.467 392 G CA -0.943 43.726 45.100 -0.717 0.000 0.804 392 G HN 0.428 nan 8.290 nan 0.000 0.535 393 D N 0.341 120.425 120.400 -0.526 0.000 2.741 393 D HA 0.332 4.972 4.640 0.000 0.000 0.233 393 D C -0.425 175.735 176.300 -0.233 0.000 1.160 393 D CA -0.390 53.429 54.000 -0.302 0.000 1.003 393 D CB -0.529 40.178 40.800 -0.155 0.000 1.064 393 D HN 0.232 nan 8.370 nan 0.000 0.503 394 Y N 0.823 121.126 120.300 0.005 0.000 2.496 394 Y HA 0.249 4.799 4.550 0.000 0.000 0.334 394 Y C 1.840 177.714 175.900 -0.043 0.000 1.080 394 Y CA -0.326 57.780 58.100 0.010 0.000 1.355 394 Y CB 0.742 39.228 38.460 0.043 0.000 1.193 394 Y HN 0.070 nan 8.280 nan 0.000 0.523 395 R N 1.804 122.315 120.500 0.019 0.000 2.279 395 R HA 0.159 4.499 4.340 0.000 0.000 0.195 395 R C -0.934 175.082 176.300 -0.473 0.000 0.905 395 R CA 0.250 56.179 56.100 -0.285 0.000 1.044 395 R CB 0.562 30.578 30.300 -0.473 0.000 1.056 395 R HN 0.536 nan 8.270 nan 0.000 0.535 396 Y N -0.478 119.908 120.300 0.145 0.000 2.470 396 Y HA 0.600 5.150 4.550 0.000 0.000 0.341 396 Y C -0.273 175.696 175.900 0.114 0.000 1.021 396 Y CA -1.302 56.865 58.100 0.112 0.000 1.025 396 Y CB 2.041 40.544 38.460 0.071 0.000 1.266 396 Y HN -0.077 nan 8.280 nan 0.000 0.448 397 A N 1.338 124.319 122.820 0.270 0.000 2.530 397 A HA 0.970 5.291 4.320 0.000 0.000 0.288 397 A C -1.828 175.800 177.584 0.073 0.000 1.172 397 A CA -0.881 51.244 52.037 0.146 0.000 0.733 397 A CB 1.627 20.742 19.000 0.192 0.000 1.320 397 A HN 0.464 nan 8.150 nan 0.000 0.419 398 V N 1.435 121.325 119.914 -0.039 0.000 2.569 398 V HA 0.365 4.485 4.120 0.000 0.000 0.301 398 V C -0.867 175.187 176.094 -0.066 0.000 1.044 398 V CA -0.741 61.527 62.300 -0.055 0.000 0.874 398 V CB 1.840 33.616 31.823 -0.078 0.000 1.002 398 V HN 0.864 nan 8.190 nan 0.000 0.424 399 N N 4.305 123.005 118.700 0.000 0.000 2.426 399 N HA 0.332 5.073 4.740 0.000 0.000 0.257 399 N C -0.421 175.033 175.510 -0.093 0.000 1.002 399 N CA -0.101 52.947 53.050 -0.004 0.000 0.942 399 N CB 0.670 39.249 38.487 0.154 0.000 1.112 399 N HN 0.640 nan 8.380 nan 0.000 0.499 400 N N 1.100 119.709 118.700 -0.153 0.000 2.495 400 N HA 0.467 5.207 4.740 0.000 0.000 0.280 400 N C -1.186 174.055 175.510 -0.448 0.000 1.168 400 N CA -0.231 52.633 53.050 -0.310 0.000 0.978 400 N CB 1.402 39.706 38.487 -0.305 0.000 1.191 400 N HN 0.456 nan 8.380 nan 0.000 0.497 401 S N 0.452 115.663 115.700 -0.816 0.000 2.570 401 S HA 0.584 5.054 4.470 0.000 0.000 0.286 401 S C -2.136 171.900 174.600 -0.940 0.000 1.143 401 S CA -0.584 57.219 58.200 -0.663 0.000 0.921 401 S CB -0.091 62.980 63.200 -0.214 0.000 1.108 401 S HN 0.293 nan 8.310 nan 0.000 0.456 402 F N 2.115 121.610 119.950 -0.758 0.000 2.536 402 F HA 0.698 5.225 4.527 0.000 0.000 0.322 402 F C 0.728 176.292 175.800 -0.393 0.000 1.144 402 F CA -0.749 56.947 58.000 -0.507 0.000 0.924 402 F CB 1.828 40.550 39.000 -0.463 0.000 1.181 402 F HN 0.630 nan 8.300 nan 0.000 0.438 403 G N 1.191 110.046 108.800 0.091 0.000 2.471 403 G HA2 0.583 4.543 3.960 0.000 0.000 0.332 403 G HA3 0.583 4.543 3.960 0.000 0.000 0.332 403 G C -1.132 173.928 174.900 0.266 0.000 1.176 403 G CA -0.665 44.496 45.100 0.102 0.000 0.949 403 G HN 0.247 nan 8.290 nan 0.000 0.488 404 F N 0.404 120.505 119.950 0.252 0.000 2.608 404 F HA 0.386 4.913 4.527 0.000 0.000 0.380 404 F C 1.532 177.486 175.800 0.258 0.000 1.083 404 F CA 0.933 59.061 58.000 0.213 0.000 1.266 404 F CB 0.912 40.015 39.000 0.173 0.000 1.076 404 F HN 0.862 nan 8.300 nan 0.000 0.574 405 G N 0.803 109.777 108.800 0.289 0.000 2.205 405 G HA2 0.167 4.127 3.960 0.000 0.000 0.180 405 G HA3 0.167 4.127 3.960 0.000 0.000 0.180 405 G C 0.847 175.524 174.900 -0.371 0.000 1.004 405 G CA 0.016 45.099 45.100 -0.029 0.000 0.670 405 G HN 1.749 nan 8.290 nan 0.000 0.496 406 G N -0.362 108.358 108.800 -0.135 0.000 2.143 406 G HA2 -0.249 3.711 3.960 0.000 0.000 0.249 406 G HA3 -0.249 3.711 3.960 0.000 0.000 0.249 406 G C 0.174 174.983 174.900 -0.152 0.000 0.981 406 G CA 0.623 45.655 45.100 -0.114 0.000 0.665 406 G HN 1.349 nan 8.290 nan 0.000 0.528 407 H N 0.831 119.965 119.070 0.107 0.000 2.722 407 H HA 0.371 4.927 4.556 0.000 0.000 0.328 407 H C -0.042 175.366 175.328 0.135 0.000 1.067 407 H CA 0.124 56.232 56.048 0.099 0.000 1.447 407 H CB 0.596 30.412 29.762 0.090 0.000 1.469 407 H HN 0.237 nan 8.280 nan 0.000 0.544 408 N N 2.604 121.447 118.700 0.239 0.000 2.410 408 N HA 0.235 4.976 4.740 0.000 0.000 0.287 408 N C -1.009 174.608 175.510 0.179 0.000 1.044 408 N CA -0.457 52.778 53.050 0.308 0.000 0.881 408 N CB 2.908 41.528 38.487 0.220 0.000 1.405 408 N HN 0.223 nan 8.380 nan 0.000 0.490 409 V N 0.821 120.794 119.914 0.099 0.000 2.483 409 V HA 0.776 4.896 4.120 0.000 0.000 0.297 409 V C -0.336 175.716 176.094 -0.069 0.000 1.027 409 V CA -0.883 61.415 62.300 -0.003 0.000 0.855 409 V CB 1.537 33.344 31.823 -0.027 0.000 0.995 409 V HN 0.768 nan 8.190 nan 0.000 0.424 410 A N 5.749 128.526 122.820 -0.071 0.000 2.331 410 A HA 0.938 5.258 4.320 0.000 0.000 0.320 410 A C -1.063 176.405 177.584 -0.192 0.000 1.138 410 A CA -0.521 51.450 52.037 -0.109 0.000 0.790 410 A CB 1.096 20.059 19.000 -0.062 0.000 1.206 410 A HN 0.802 nan 8.150 nan 0.000 0.470 411 L N 2.032 123.120 121.223 -0.225 0.000 2.356 411 L HA 0.646 4.986 4.340 0.000 0.000 0.277 411 L C 0.374 176.956 176.870 -0.480 0.000 0.996 411 L CA -0.530 54.061 54.840 -0.415 0.000 0.822 411 L CB 2.018 43.838 42.059 -0.398 0.000 1.256 411 L HN 0.812 nan 8.230 nan 0.000 0.413 412 A N 3.878 126.336 122.820 -0.604 0.000 2.276 412 A HA 0.715 5.036 4.320 0.000 0.000 0.300 412 A C -1.116 176.135 177.584 -0.554 0.000 1.235 412 A CA -0.101 51.672 52.037 -0.441 0.000 0.867 412 A CB -0.027 18.762 19.000 -0.351 0.000 1.137 412 A HN 0.468 nan 8.150 nan 0.000 0.527 413 F N 1.679 121.608 119.950 -0.034 0.000 2.493 413 F HA 0.593 5.120 4.527 0.000 0.000 0.329 413 F C 0.844 176.720 175.800 0.126 0.000 1.126 413 F CA -0.433 57.577 58.000 0.017 0.000 0.937 413 F CB 2.382 41.380 39.000 -0.004 0.000 1.146 413 F HN 0.688 nan 8.300 nan 0.000 0.442 414 G N 2.392 111.402 108.800 0.350 0.000 2.441 414 G HA2 0.521 4.481 3.960 0.000 0.000 0.334 414 G HA3 0.521 4.481 3.960 0.000 0.000 0.334 414 G C -1.011 174.002 174.900 0.189 0.000 1.161 414 G CA -0.933 44.358 45.100 0.319 0.000 0.935 414 G HN 0.600 nan 8.290 nan 0.000 0.488 415 R N -0.413 120.116 120.500 0.048 0.000 2.641 415 R HA 0.306 4.646 4.340 0.000 0.000 0.269 415 R C -0.908 175.461 176.300 0.114 0.000 1.074 415 R CA -0.385 55.746 56.100 0.052 0.000 1.133 415 R CB 0.518 30.794 30.300 -0.041 0.000 1.029 415 R HN 0.574 nan 8.270 nan 0.000 0.488 416 Y N 0.000 120.308 120.300 0.013 0.000 2.660 416 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 416 Y CA 0.000 58.113 58.100 0.021 0.000 1.940 416 Y CB 0.000 38.477 38.460 0.028 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758