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_H 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 0.000 174.575 174.600 -0.041 0.000 1.055 2 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 2 S CB 0.000 63.181 63.200 -0.031 0.000 0.593 3 Q N 3.503 123.279 119.800 -0.039 0.000 2.318 3 Q HA 0.611 4.951 4.340 0.000 0.000 0.222 3 Q C -2.525 173.399 176.000 -0.126 0.000 1.003 3 Q CA -1.595 54.175 55.803 -0.056 0.000 0.936 3 Q CB -0.434 28.297 28.738 -0.012 0.000 1.204 3 Q HN 0.405 nan 8.270 nan 0.000 0.524 4 P HA 0.185 nan 4.420 nan 0.000 0.276 4 P C -1.092 175.860 177.300 -0.581 0.000 1.230 4 P CA -0.307 62.486 63.100 -0.511 0.000 0.776 4 P CB 1.213 32.405 31.700 -0.847 0.000 0.888 5 S N 0.199 115.654 115.700 -0.408 0.000 2.697 5 S HA 0.418 4.888 4.470 0.000 0.000 0.289 5 S C 0.864 175.484 174.600 0.033 0.000 1.149 5 S CA -0.435 57.712 58.200 -0.087 0.000 0.850 5 S CB 0.949 64.154 63.200 0.008 0.000 1.151 5 S HN 0.239 nan 8.310 nan 0.000 0.491 6 T N 1.445 116.154 114.554 0.259 0.000 2.857 6 T HA 0.078 4.428 4.350 0.000 0.000 0.266 6 T C 2.001 176.761 174.700 0.099 0.000 1.048 6 T CA 1.474 63.713 62.100 0.232 0.000 1.139 6 T CB -0.789 68.223 68.868 0.241 0.000 0.874 6 T HN 0.884 nan 8.240 nan 0.000 0.455 7 A N 2.541 125.391 122.820 0.049 0.000 2.121 7 A HA -0.050 4.270 4.320 0.000 0.000 0.218 7 A C 1.764 179.352 177.584 0.006 0.000 1.154 7 A CA 1.348 53.395 52.037 0.017 0.000 0.679 7 A CB -0.381 18.609 19.000 -0.017 0.000 0.795 7 A HN 0.635 nan 8.150 nan 0.000 0.458 8 N N -2.376 116.319 118.700 -0.009 0.000 2.238 8 N HA 0.283 5.023 4.740 0.000 0.000 0.235 8 N C 0.740 176.229 175.510 -0.035 0.000 1.209 8 N CA 0.580 53.615 53.050 -0.026 0.000 0.879 8 N CB -0.275 38.185 38.487 -0.044 0.000 1.136 8 N HN 0.554 nan 8.380 nan 0.000 0.517 9 G N -0.843 107.948 108.800 -0.015 0.000 2.179 9 G HA2 -0.262 3.698 3.960 0.000 0.000 0.257 9 G HA3 -0.262 3.698 3.960 0.000 0.000 0.257 9 G C 0.931 175.789 174.900 -0.069 0.000 1.010 9 G CA 0.350 45.443 45.100 -0.011 0.000 0.736 9 G HN 0.682 nan 8.290 nan 0.000 0.513 10 G N -0.723 107.972 108.800 -0.174 0.000 2.394 10 G HA2 0.322 4.282 3.960 0.000 0.000 0.215 10 G HA3 0.322 4.282 3.960 0.000 0.000 0.215 10 G C 0.572 175.218 174.900 -0.423 0.000 1.165 10 G CA 0.940 45.818 45.100 -0.370 0.000 0.784 10 G HN 0.471 nan 8.290 nan 0.000 0.535 11 F N 0.519 120.490 119.950 0.034 0.000 2.557 11 F HA 0.557 5.084 4.527 0.000 0.000 0.336 11 F C -2.169 173.652 175.800 0.034 0.000 1.058 11 F CA -3.158 54.849 58.000 0.011 0.000 0.988 11 F CB 1.083 40.108 39.000 0.041 0.000 1.275 11 F HN -0.218 nan 8.300 nan 0.000 0.488 12 P HA 0.129 nan 4.420 nan 0.000 0.278 12 P C -0.629 176.783 177.300 0.187 0.000 1.238 12 P CA -0.602 62.587 63.100 0.148 0.000 0.794 12 P CB 1.050 32.805 31.700 0.091 0.000 0.955 13 S N 1.795 117.590 115.700 0.159 0.000 2.509 13 S HA 0.173 4.643 4.470 0.000 0.000 0.287 13 S C -0.124 174.578 174.600 0.170 0.000 1.248 13 S CA -0.386 57.917 58.200 0.171 0.000 1.089 13 S CB -0.817 62.469 63.200 0.143 0.000 0.900 13 S HN 0.182 nan 8.310 nan 0.000 0.496 14 V N 6.555 126.592 119.914 0.204 0.000 2.483 14 V HA 0.696 4.817 4.120 0.000 0.000 0.295 14 V C 0.208 176.400 176.094 0.164 0.000 1.035 14 V CA -0.673 61.739 62.300 0.186 0.000 0.896 14 V CB 1.360 33.346 31.823 0.272 0.000 0.986 14 V HN 0.839 nan 8.190 nan 0.000 0.447 15 V N 2.209 122.203 119.914 0.133 0.000 2.962 15 V HA 0.761 4.881 4.120 0.000 0.000 0.313 15 V C -0.605 175.541 176.094 0.087 0.000 1.099 15 V CA -0.846 61.527 62.300 0.122 0.000 0.971 15 V CB 2.120 34.004 31.823 0.100 0.000 1.028 15 V HN 0.478 nan 8.190 nan 0.000 0.430 16 V N 3.322 123.290 119.914 0.090 0.000 2.348 16 V HA 0.387 4.507 4.120 0.000 0.000 0.270 16 V C 1.332 177.415 176.094 -0.018 0.000 1.037 16 V CA 0.634 62.972 62.300 0.064 0.000 0.872 16 V CB 0.839 32.729 31.823 0.112 0.000 1.002 16 V HN 1.180 nan 8.190 nan 0.000 0.464 17 T N 0.858 115.388 114.554 -0.039 0.000 3.023 17 T HA 0.635 4.985 4.350 0.000 0.000 0.253 17 T C 0.354 175.000 174.700 -0.090 0.000 1.038 17 T CA 0.444 62.492 62.100 -0.087 0.000 0.962 17 T CB 0.559 69.370 68.868 -0.094 0.000 1.018 17 T HN 1.000 nan 8.240 nan 0.000 0.521 18 A N 0.828 123.609 122.820 -0.064 0.000 2.594 18 A HA 0.656 4.976 4.320 0.000 0.000 0.296 18 A C -1.191 176.372 177.584 -0.035 0.000 1.056 18 A CA -0.635 51.365 52.037 -0.061 0.000 0.693 18 A CB 1.231 20.186 19.000 -0.076 0.000 1.278 18 A HN 1.013 nan 8.150 nan 0.000 0.408 19 V N -1.396 118.494 119.914 -0.041 0.000 2.925 19 V HA 0.986 5.106 4.120 0.000 0.000 0.311 19 V C -0.431 175.651 176.094 -0.019 0.000 1.104 19 V CA -0.178 62.101 62.300 -0.034 0.000 0.954 19 V CB 1.394 33.171 31.823 -0.075 0.000 1.022 19 V HN 1.562 nan 8.190 nan 0.000 0.427 20 T N 1.719 116.272 114.554 -0.002 0.000 2.900 20 T HA 0.906 5.256 4.350 0.000 0.000 0.303 20 T C -0.861 173.847 174.700 0.013 0.000 1.142 20 T CA 0.294 62.399 62.100 0.008 0.000 1.007 20 T CB 1.629 70.510 68.868 0.022 0.000 1.156 20 T HN 2.296 nan 8.240 nan 0.000 0.490 21 A N 1.932 124.764 122.820 0.021 0.000 2.582 21 A HA 0.647 4.967 4.320 0.000 0.000 0.297 21 A C -0.648 176.964 177.584 0.048 0.000 1.059 21 A CA -0.599 51.457 52.037 0.033 0.000 0.705 21 A CB 1.667 20.685 19.000 0.031 0.000 1.279 21 A HN 0.797 nan 8.150 nan 0.000 0.404 22 T N 1.283 115.871 114.554 0.058 0.000 2.807 22 T HA 0.789 5.139 4.350 0.000 0.000 0.279 22 T C 0.120 174.875 174.700 0.093 0.000 0.993 22 T CA 0.568 62.715 62.100 0.078 0.000 0.970 22 T CB 0.767 69.685 68.868 0.084 0.000 0.950 22 T HN 1.873 nan 8.240 nan 0.000 0.441 23 T N 0.261 114.877 114.554 0.103 0.000 2.669 23 T HA 0.452 4.802 4.350 0.000 0.000 0.283 23 T C 1.389 176.164 174.700 0.124 0.000 1.019 23 T CA 0.048 62.213 62.100 0.108 0.000 1.039 23 T CB 0.835 69.763 68.868 0.101 0.000 1.374 23 T HN 0.479 nan 8.240 nan 0.000 0.523 24 S N -0.499 115.275 115.700 0.124 0.000 2.561 24 S HA 0.136 4.606 4.470 0.000 0.000 0.225 24 S C 1.618 176.301 174.600 0.138 0.000 0.977 24 S CA 0.144 58.433 58.200 0.148 0.000 0.926 24 S CB -0.822 62.457 63.200 0.131 0.000 0.769 24 S HN 0.616 nan 8.310 nan 0.000 0.533 25 I N -0.045 120.593 120.570 0.114 0.000 3.172 25 I HA 0.230 4.400 4.170 0.000 0.000 0.278 25 I C 0.878 177.050 176.117 0.091 0.000 1.174 25 I CA 0.224 61.584 61.300 0.099 0.000 1.445 25 I CB 0.387 38.441 38.000 0.090 0.000 1.175 25 I HN 0.300 nan 8.210 nan 0.000 0.447 26 S N -0.017 115.741 115.700 0.097 0.000 2.556 26 S HA 0.294 4.764 4.470 0.000 0.000 0.280 26 S C -2.377 172.279 174.600 0.094 0.000 1.141 26 S CA -0.788 57.467 58.200 0.090 0.000 0.883 26 S CB 1.747 64.997 63.200 0.083 0.000 1.103 26 S HN -0.157 nan 8.310 nan 0.000 0.453 27 P HA 0.116 nan 4.420 nan 0.000 0.242 27 P C -0.322 177.020 177.300 0.070 0.000 1.197 27 P CA 0.490 63.648 63.100 0.096 0.000 0.765 27 P CB -0.170 31.606 31.700 0.127 0.000 0.936 28 D N 0.307 120.749 120.400 0.070 0.000 2.414 28 D HA 0.091 4.731 4.640 0.000 0.000 0.232 28 D C 0.931 177.275 176.300 0.073 0.000 1.070 28 D CA -0.781 53.255 54.000 0.060 0.000 0.839 28 D CB 0.873 41.708 40.800 0.058 0.000 1.079 28 D HN -0.265 nan 8.370 nan 0.000 0.521 29 I N 3.714 124.321 120.570 0.061 0.000 2.335 29 I HA -0.180 3.990 4.170 0.000 0.000 0.251 29 I C 1.610 177.795 176.117 0.115 0.000 1.129 29 I CA 1.563 62.907 61.300 0.072 0.000 1.402 29 I CB 0.063 38.079 38.000 0.027 0.000 1.069 29 I HN 0.432 nan 8.210 nan 0.000 0.424 30 E N -0.179 120.082 120.200 0.101 0.000 2.274 30 E HA -0.074 4.276 4.350 0.000 0.000 0.194 30 E C 2.245 178.951 176.600 0.176 0.000 0.996 30 E CA 1.040 57.532 56.400 0.153 0.000 0.840 30 E CB -0.128 29.632 29.700 0.101 0.000 0.772 30 E HN 0.478 nan 8.360 nan 0.000 0.491 31 S N 0.206 115.980 115.700 0.123 0.000 2.425 31 S HA -0.031 4.439 4.470 0.000 0.000 0.225 31 S C 2.056 176.718 174.600 0.103 0.000 1.024 31 S CA 0.729 58.987 58.200 0.097 0.000 0.951 31 S CB 0.022 63.266 63.200 0.073 0.000 0.796 31 S HN 0.229 nan 8.310 nan 0.000 0.498 32 T N 1.545 116.176 114.554 0.129 0.000 2.652 32 T HA -0.163 4.187 4.350 0.000 0.000 0.267 32 T C 1.353 176.163 174.700 0.184 0.000 1.039 32 T CA 1.149 63.334 62.100 0.141 0.000 1.153 32 T CB -0.378 68.581 68.868 0.151 0.000 0.863 32 T HN 0.618 nan 8.240 nan 0.000 0.428 33 W N 2.016 123.322 121.300 0.010 0.000 2.338 33 W HA -0.196 4.464 4.660 0.000 0.000 0.304 33 W C 1.990 178.501 176.519 -0.014 0.000 1.212 33 W CA 1.262 58.602 57.345 -0.008 0.000 1.264 33 W CB -0.110 29.337 29.460 -0.020 0.000 1.142 33 W HN 0.273 nan 8.180 nan 0.000 0.512 34 K N -0.261 120.106 120.400 -0.054 0.000 2.057 34 K HA -0.089 4.231 4.320 0.000 0.000 0.206 34 K C 2.383 178.895 176.600 -0.146 0.000 1.050 34 K CA 1.452 57.641 56.287 -0.163 0.000 0.935 34 K CB -0.930 31.550 32.500 -0.032 0.000 0.715 34 K HN 0.202 nan 8.250 nan 0.000 0.439 35 G N 1.405 110.172 108.800 -0.054 0.000 2.446 35 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 35 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 35 G C 1.458 176.321 174.900 -0.063 0.000 1.168 35 G CA 0.803 45.885 45.100 -0.031 0.000 0.771 35 G HN 0.103 nan 8.290 nan 0.000 0.551 36 L N -0.041 121.134 121.223 -0.081 0.000 2.046 36 L HA -0.019 4.321 4.340 0.000 0.000 0.208 36 L C 2.916 179.644 176.870 -0.237 0.000 1.077 36 L CA 0.540 55.323 54.840 -0.096 0.000 0.747 36 L CB -0.431 41.615 42.059 -0.022 0.000 0.896 36 L HN 0.180 nan 8.230 nan 0.000 0.432 37 L N -0.290 120.677 121.223 -0.427 0.000 2.083 37 L HA -0.194 4.146 4.340 0.000 0.000 0.209 37 L C 2.790 179.524 176.870 -0.226 0.000 1.083 37 L CA 1.155 55.731 54.840 -0.440 0.000 0.752 37 L CB -0.732 40.990 42.059 -0.560 0.000 0.899 37 L HN 0.258 nan 8.230 nan 0.000 0.433 38 A N -0.481 122.244 122.820 -0.159 0.000 2.066 38 A HA 0.139 4.459 4.320 0.000 0.000 0.218 38 A C 1.756 179.310 177.584 -0.051 0.000 1.157 38 A CA 1.092 53.080 52.037 -0.082 0.000 0.670 38 A CB -0.458 18.509 19.000 -0.056 0.000 0.804 38 A HN 0.568 nan 8.150 nan 0.000 0.453 39 G N -0.633 108.135 108.800 -0.053 0.000 2.131 39 G HA2 -0.176 3.784 3.960 0.000 0.000 0.201 39 G HA3 -0.176 3.784 3.960 0.000 0.000 0.201 39 G C -0.251 174.655 174.900 0.010 0.000 1.000 39 G CA 0.152 45.244 45.100 -0.013 0.000 0.680 39 G HN 0.619 nan 8.290 nan 0.000 0.514 40 E N 0.231 120.436 120.200 0.007 0.000 2.374 40 E HA 0.505 4.855 4.350 0.000 0.000 0.260 40 E C 0.156 176.783 176.600 0.043 0.000 1.101 40 E CA 0.282 56.697 56.400 0.025 0.000 0.907 40 E CB 1.280 30.995 29.700 0.024 0.000 1.014 40 E HN 0.190 nan 8.360 nan 0.000 0.427 41 S N -0.135 115.596 115.700 0.051 0.000 2.500 41 S HA 0.456 4.926 4.470 0.000 0.000 0.301 41 S C 0.463 175.111 174.600 0.080 0.000 1.092 41 S CA -0.501 57.735 58.200 0.060 0.000 1.030 41 S CB 1.381 64.613 63.200 0.053 0.000 1.031 41 S HN 0.602 nan 8.310 nan 0.000 0.483 42 G N 3.531 112.382 108.800 0.085 0.000 3.042 42 G HA2 0.199 4.159 3.960 0.000 0.000 0.212 42 G HA3 0.199 4.159 3.960 0.000 0.000 0.212 42 G C 0.263 175.238 174.900 0.126 0.000 1.166 42 G CA -0.068 45.106 45.100 0.124 0.000 0.767 42 G HN 0.618 nan 8.290 nan 0.000 0.546 43 I N 2.019 122.621 120.570 0.052 0.000 2.395 43 I HA 0.385 4.555 4.170 0.000 0.000 0.289 43 I C 0.219 176.338 176.117 0.004 0.000 1.023 43 I CA -0.725 60.540 61.300 -0.058 0.000 1.350 43 I CB 0.302 38.276 38.000 -0.043 0.000 1.409 43 I HN 0.398 nan 8.210 nan 0.000 0.507 44 H N 2.861 121.936 119.070 0.009 0.000 2.966 44 H HA 0.808 5.364 4.556 0.000 0.000 0.330 44 H C -0.695 174.635 175.328 0.003 0.000 1.292 44 H CA -1.161 54.894 56.048 0.012 0.000 1.127 44 H CB 0.780 30.558 29.762 0.027 0.000 1.863 44 H HN 0.610 nan 8.280 nan 0.000 0.543 45 A N 1.336 124.271 122.820 0.192 0.000 2.440 45 A HA 0.384 4.704 4.320 0.000 0.000 0.251 45 A C -0.115 177.586 177.584 0.195 0.000 1.089 45 A CA -0.624 51.484 52.037 0.119 0.000 0.779 45 A CB -0.332 18.716 19.000 0.080 0.000 1.022 45 A HN 0.579 nan 8.150 nan 0.000 0.492 46 L N 2.647 123.927 121.223 0.096 0.000 2.361 46 L HA 0.181 4.521 4.340 0.000 0.000 0.278 46 L C 0.758 177.650 176.870 0.037 0.000 1.113 46 L CA -0.141 54.757 54.840 0.096 0.000 0.849 46 L CB 0.587 42.654 42.059 0.013 0.000 1.155 46 L HN 0.779 nan 8.230 nan 0.000 0.452 47 E N 1.148 121.382 120.200 0.056 0.000 2.481 47 E HA 0.065 4.415 4.350 0.000 0.000 0.198 47 E C -0.390 176.150 176.600 -0.099 0.000 1.027 47 E CA -0.039 56.350 56.400 -0.017 0.000 0.900 47 E CB 0.247 29.948 29.700 0.001 0.000 0.993 47 E HN 0.693 nan 8.360 nan 0.000 0.482 48 D N 1.930 122.211 120.400 -0.199 0.000 2.455 48 D HA -0.035 4.606 4.640 0.000 0.000 0.241 48 D C 1.129 177.203 176.300 -0.378 0.000 1.138 48 D CA 0.152 53.929 54.000 -0.372 0.000 0.877 48 D CB 0.836 41.136 40.800 -0.833 0.000 1.187 48 D HN -0.226 nan 8.370 nan 0.000 0.451 49 E N 1.237 121.327 120.200 -0.182 0.000 2.401 49 E HA -0.125 4.225 4.350 0.000 0.000 0.199 49 E C 1.531 178.108 176.600 -0.039 0.000 1.023 49 E CA 0.403 56.749 56.400 -0.090 0.000 0.859 49 E CB -0.098 29.585 29.700 -0.029 0.000 0.780 49 E HN 0.638 nan 8.360 nan 0.000 0.523 50 F N -2.005 118.000 119.950 0.091 0.000 2.512 50 F HA 0.044 4.571 4.527 0.000 0.000 0.296 50 F C 1.903 177.851 175.800 0.247 0.000 1.110 50 F CA 0.073 58.179 58.000 0.176 0.000 1.446 50 F CB -0.975 38.208 39.000 0.305 0.000 1.092 50 F HN -0.208 nan 8.300 nan 0.000 0.554 51 V N 1.508 121.423 119.914 0.001 0.000 2.261 51 V HA -0.277 3.843 4.120 0.000 0.000 0.246 51 V C 2.816 178.987 176.094 0.127 0.000 1.047 51 V CA 2.741 65.120 62.300 0.131 0.000 1.015 51 V CB -1.153 30.641 31.823 -0.048 0.000 0.642 51 V HN 0.647 nan 8.190 nan 0.000 0.446 52 T N -1.723 112.846 114.554 0.025 0.000 2.904 52 T HA -0.218 4.132 4.350 0.000 0.000 0.267 52 T C 1.867 176.557 174.700 -0.016 0.000 1.059 52 T CA 1.536 63.641 62.100 0.008 0.000 1.137 52 T CB -0.274 68.579 68.868 -0.026 0.000 0.879 52 T HN 0.453 nan 8.240 nan 0.000 0.467 53 K N 0.233 120.589 120.400 -0.073 0.000 2.032 53 K HA -0.127 4.193 4.320 0.000 0.000 0.209 53 K C 1.409 177.816 176.600 -0.321 0.000 1.048 53 K CA 1.624 57.742 56.287 -0.282 0.000 0.927 53 K CB -0.263 31.955 32.500 -0.470 0.000 0.712 53 K HN 0.613 nan 8.250 nan 0.000 0.441 54 W N 1.024 122.386 121.300 0.103 0.000 3.278 54 W HA 0.140 4.800 4.660 0.000 0.000 0.308 54 W C -0.281 176.281 176.519 0.071 0.000 1.253 54 W CA -0.341 57.056 57.345 0.088 0.000 1.759 54 W CB 0.208 29.733 29.460 0.109 0.000 1.093 54 W HN 0.238 nan 8.180 nan 0.000 0.648 55 D N 1.461 121.990 120.400 0.215 0.000 2.740 55 D HA -0.205 4.435 4.640 0.000 0.000 0.231 55 D C -0.276 176.125 176.300 0.169 0.000 1.194 55 D CA 0.530 54.618 54.000 0.147 0.000 0.673 55 D CB -0.925 39.935 40.800 0.101 0.000 0.995 55 D HN 0.093 nan 8.370 nan 0.000 0.411 56 L N 0.109 121.456 121.223 0.206 0.000 2.456 56 L HA 0.319 4.659 4.340 0.000 0.000 0.272 56 L C 2.090 179.023 176.870 0.105 0.000 1.189 56 L CA 0.051 54.995 54.840 0.174 0.000 0.846 56 L CB 0.515 42.708 42.059 0.224 0.000 1.111 56 L HN 0.275 nan 8.230 nan 0.000 0.475 57 A N 3.435 126.299 122.820 0.073 0.000 1.930 57 A HA 0.014 4.334 4.320 0.000 0.000 0.217 57 A C 0.863 178.462 177.584 0.025 0.000 1.175 57 A CA 0.725 52.785 52.037 0.039 0.000 0.627 57 A CB -0.179 18.833 19.000 0.020 0.000 0.815 57 A HN 0.421 nan 8.150 nan 0.000 0.443 58 V N 0.581 120.514 119.914 0.031 0.000 2.406 58 V HA 0.254 4.374 4.120 0.000 0.000 0.272 58 V C 0.227 176.353 176.094 0.055 0.000 1.043 58 V CA -0.090 62.217 62.300 0.011 0.000 0.915 58 V CB 1.030 32.839 31.823 -0.023 0.000 0.988 58 V HN 0.480 nan 8.190 nan 0.000 0.466 59 K N 5.410 125.827 120.400 0.029 0.000 2.619 59 K HA 0.443 4.763 4.320 0.000 0.000 0.201 59 K C -0.349 176.257 176.600 0.010 0.000 1.090 59 K CA -0.118 56.190 56.287 0.036 0.000 1.063 59 K CB 0.599 33.117 32.500 0.030 0.000 0.810 59 K HN 0.750 nan 8.250 nan 0.000 0.506 60 I N -3.350 117.212 120.570 -0.013 0.000 2.934 60 I HA 0.891 5.061 4.170 0.000 0.000 0.306 60 I C -0.195 175.868 176.117 -0.090 0.000 1.110 60 I CA -1.004 60.263 61.300 -0.056 0.000 1.019 60 I CB 2.411 40.379 38.000 -0.053 0.000 1.227 60 I HN 0.042 nan 8.210 nan 0.000 0.434 61 G N 1.242 109.926 108.800 -0.194 0.000 2.350 61 G HA2 0.457 4.417 3.960 0.000 0.000 0.304 61 G HA3 0.457 4.417 3.960 0.000 0.000 0.304 61 G C -1.308 173.263 174.900 -0.550 0.000 1.421 61 G CA -0.335 44.634 45.100 -0.219 0.000 0.934 61 G HN 1.083 nan 8.290 nan 0.000 0.632 62 G N -0.047 108.516 108.800 -0.395 0.000 2.487 62 G HA2 0.623 4.583 3.960 0.000 0.000 0.314 62 G HA3 0.623 4.583 3.960 0.000 0.000 0.314 62 G C -0.434 174.378 174.900 -0.147 0.000 1.267 62 G CA -0.534 44.317 45.100 -0.415 0.000 0.937 62 G HN 0.634 nan 8.290 nan 0.000 0.481 63 H N 1.403 120.608 119.070 0.224 0.000 2.546 63 H HA 0.199 4.755 4.556 0.000 0.000 0.365 63 H C 0.752 176.202 175.328 0.202 0.000 1.220 63 H CA -0.208 55.971 56.048 0.218 0.000 1.386 63 H CB 1.416 31.326 29.762 0.246 0.000 1.510 63 H HN 0.255 nan 8.280 nan 0.000 0.591 64 L N 2.019 123.421 121.223 0.298 0.000 2.540 64 L HA -0.117 4.223 4.340 0.000 0.000 0.276 64 L C 1.807 178.791 176.870 0.191 0.000 1.212 64 L CA 0.028 54.997 54.840 0.214 0.000 0.893 64 L CB 0.291 42.467 42.059 0.196 0.000 1.138 64 L HN 0.538 nan 8.230 nan 0.000 0.491 65 K N 1.786 122.280 120.400 0.157 0.000 2.074 65 K HA -0.188 4.132 4.320 0.000 0.000 0.209 65 K C 0.410 177.064 176.600 0.090 0.000 1.048 65 K CA 1.541 57.897 56.287 0.116 0.000 0.926 65 K CB -0.008 32.553 32.500 0.101 0.000 0.713 65 K HN 0.574 nan 8.250 nan 0.000 0.444 66 D N -0.148 120.315 120.400 0.104 0.000 2.462 66 D HA 0.256 4.896 4.640 0.000 0.000 0.245 66 D C -2.714 173.643 176.300 0.095 0.000 1.122 66 D CA -2.681 51.368 54.000 0.081 0.000 0.864 66 D CB 1.087 41.963 40.800 0.127 0.000 1.098 66 D HN -0.126 nan 8.370 nan 0.000 0.541 67 P HA -0.056 nan 4.420 nan 0.000 0.264 67 P C 1.298 178.657 177.300 0.098 0.000 1.183 67 P CA -0.321 62.829 63.100 0.083 0.000 0.763 67 P CB 0.970 32.688 31.700 0.030 0.000 0.807 68 V N 2.549 122.562 119.914 0.164 0.000 2.324 68 V HA -0.262 3.858 4.120 0.000 0.000 0.250 68 V C 1.454 177.617 176.094 0.115 0.000 1.060 68 V CA 2.175 64.555 62.300 0.134 0.000 1.042 68 V CB -0.818 30.965 31.823 -0.067 0.000 0.650 68 V HN 0.561 nan 8.190 nan 0.000 0.450 69 D N -0.127 120.330 120.400 0.095 0.000 2.347 69 D HA -0.046 4.594 4.640 0.000 0.000 0.215 69 D C 2.244 178.545 176.300 0.003 0.000 0.976 69 D CA 1.155 55.194 54.000 0.065 0.000 0.884 69 D CB -0.135 40.724 40.800 0.097 0.000 0.915 69 D HN 0.626 nan 8.370 nan 0.000 0.526 70 S N -0.724 114.929 115.700 -0.079 0.000 2.500 70 S HA -0.148 4.322 4.470 0.000 0.000 0.239 70 S C 1.282 175.728 174.600 -0.257 0.000 0.989 70 S CA 0.807 58.892 58.200 -0.192 0.000 0.951 70 S CB -0.464 62.567 63.200 -0.283 0.000 0.759 70 S HN 0.425 nan 8.310 nan 0.000 0.523 71 H N -0.483 118.598 119.070 0.018 0.000 2.705 71 H HA 0.427 4.983 4.556 0.000 0.000 0.269 71 H C 0.181 175.512 175.328 0.006 0.000 0.998 71 H CA -0.227 55.827 56.048 0.011 0.000 1.193 71 H CB 0.306 30.072 29.762 0.006 0.000 1.485 71 H HN 0.308 nan 8.280 nan 0.000 0.521 72 M N 1.015 120.671 119.600 0.095 0.000 2.336 72 M HA 0.340 4.820 4.480 0.000 0.000 0.342 72 M C 0.676 177.000 176.300 0.040 0.000 1.128 72 M CA -0.395 54.941 55.300 0.061 0.000 1.016 72 M CB 1.670 34.297 32.600 0.046 0.000 1.665 72 M HN 0.204 nan 8.290 nan 0.000 0.445 73 G N 1.438 110.258 108.800 0.033 0.000 2.502 73 G HA2 0.418 4.378 3.960 0.000 0.000 0.305 73 G HA3 0.418 4.378 3.960 0.000 0.000 0.305 73 G C 0.614 175.527 174.900 0.022 0.000 1.190 73 G CA -0.538 44.577 45.100 0.025 0.000 0.933 73 G HN 0.812 nan 8.290 nan 0.000 0.503 74 R N -0.511 120.000 120.500 0.019 0.000 2.261 74 R HA -0.064 4.276 4.340 0.000 0.000 0.236 74 R C 2.263 178.573 176.300 0.016 0.000 1.141 74 R CA 0.517 56.627 56.100 0.018 0.000 1.001 74 R CB -0.199 30.110 30.300 0.015 0.000 0.866 74 R HN 0.486 nan 8.270 nan 0.000 0.468 75 L N 0.723 121.955 121.223 0.014 0.000 1.973 75 L HA -0.229 4.111 4.340 0.000 0.000 0.208 75 L C 1.391 178.267 176.870 0.011 0.000 1.073 75 L CA 1.784 56.630 54.840 0.011 0.000 0.746 75 L CB -0.370 41.694 42.059 0.008 0.000 0.891 75 L HN 0.242 nan 8.230 nan 0.000 0.433 76 D N -0.219 120.187 120.400 0.011 0.000 2.123 76 D HA -0.220 4.420 4.640 0.000 0.000 0.196 76 D C 2.184 178.494 176.300 0.016 0.000 0.992 76 D CA 1.102 55.107 54.000 0.009 0.000 0.833 76 D CB -0.149 40.655 40.800 0.006 0.000 0.954 76 D HN 0.298 nan 8.370 nan 0.000 0.455 77 M N 0.353 119.967 119.600 0.023 0.000 2.530 77 M HA -0.146 4.334 4.480 0.000 0.000 0.261 77 M C 1.582 177.901 176.300 0.032 0.000 1.067 77 M CA 1.134 56.454 55.300 0.033 0.000 1.071 77 M CB -0.527 32.093 32.600 0.034 0.000 1.405 77 M HN 0.186 nan 8.290 nan 0.000 0.478 78 R N -0.394 120.120 120.500 0.023 0.000 2.541 78 R HA 0.190 4.530 4.340 0.000 0.000 0.332 78 R C 1.340 177.650 176.300 0.017 0.000 0.951 78 R CA -0.061 56.051 56.100 0.021 0.000 1.136 78 R CB 0.156 30.467 30.300 0.018 0.000 1.449 78 R HN 0.366 nan 8.270 nan 0.000 0.531 79 R N -0.124 120.384 120.500 0.014 0.000 2.521 79 R HA 0.420 4.760 4.340 0.000 0.000 0.289 79 R C -0.183 176.122 176.300 0.007 0.000 0.936 79 R CA -0.304 55.801 56.100 0.008 0.000 1.089 79 R CB 0.492 30.795 30.300 0.004 0.000 1.348 79 R HN 0.078 nan 8.270 nan 0.000 0.536 80 M N 1.537 121.144 119.600 0.011 0.000 2.591 80 M HA 0.336 4.816 4.480 0.000 0.000 0.306 80 M C -0.365 175.952 176.300 0.027 0.000 1.190 80 M CA -1.064 54.241 55.300 0.009 0.000 0.889 80 M CB 2.580 35.177 32.600 -0.005 0.000 1.728 80 M HN 0.182 nan 8.290 nan 0.000 0.458 81 S N 0.539 116.258 115.700 0.032 0.000 2.641 81 S HA 0.172 4.642 4.470 0.000 0.000 0.261 81 S C 0.767 175.419 174.600 0.088 0.000 1.257 81 S CA -0.343 57.897 58.200 0.067 0.000 0.983 81 S CB 0.475 63.712 63.200 0.062 0.000 0.990 81 S HN 0.756 nan 8.310 nan 0.000 0.572 82 Y N 1.242 121.547 120.300 0.008 0.000 2.097 82 Y HA -0.173 4.377 4.550 0.000 0.000 0.282 82 Y C 2.414 178.321 175.900 0.013 0.000 1.152 82 Y CA 2.510 60.618 58.100 0.013 0.000 1.136 82 Y CB -0.945 37.521 38.460 0.010 0.000 0.975 82 Y HN 0.512 nan 8.280 nan 0.000 0.498 83 V N -1.178 118.786 119.914 0.082 0.000 2.490 83 V HA -0.288 3.832 4.120 0.000 0.000 0.250 83 V C 1.944 177.998 176.094 -0.067 0.000 1.061 83 V CA 2.091 64.388 62.300 -0.006 0.000 1.064 83 V CB -1.109 30.756 31.823 0.070 0.000 0.670 83 V HN 0.514 nan 8.190 nan 0.000 0.461 84 Q N 0.259 120.035 119.800 -0.040 0.000 2.050 84 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 84 Q C 2.586 178.538 176.000 -0.080 0.000 0.980 84 Q CA 2.203 57.977 55.803 -0.048 0.000 0.840 84 Q CB -0.238 28.485 28.738 -0.024 0.000 0.898 84 Q HN 0.649 nan 8.270 nan 0.000 0.424 85 R N 0.207 120.640 120.500 -0.112 0.000 2.073 85 R HA -0.130 4.210 4.340 0.000 0.000 0.234 85 R C 2.334 178.528 176.300 -0.176 0.000 1.134 85 R CA 1.524 57.544 56.100 -0.133 0.000 0.952 85 R CB -0.427 29.786 30.300 -0.145 0.000 0.850 85 R HN 0.343 nan 8.270 nan 0.000 0.433 86 M N 0.408 119.830 119.600 -0.297 0.000 2.080 86 M HA -0.133 4.347 4.480 0.000 0.000 0.260 86 M C 2.146 178.376 176.300 -0.118 0.000 1.068 86 M CA 2.239 57.393 55.300 -0.244 0.000 1.109 86 M CB -0.488 31.924 32.600 -0.314 0.000 1.342 86 M HN 0.272 nan 8.290 nan 0.000 0.405 87 G N 0.439 109.182 108.800 -0.094 0.000 2.469 87 G HA2 -0.306 3.654 3.960 0.000 0.000 0.219 87 G HA3 -0.306 3.654 3.960 0.000 0.000 0.219 87 G C 1.537 176.409 174.900 -0.048 0.000 1.150 87 G CA 1.359 46.426 45.100 -0.053 0.000 0.763 87 G HN 0.576 nan 8.290 nan 0.000 0.561 88 K N -0.303 120.062 120.400 -0.058 0.000 2.057 88 K HA -0.042 4.278 4.320 0.000 0.000 0.207 88 K C 2.399 178.973 176.600 -0.043 0.000 1.049 88 K CA 1.181 57.439 56.287 -0.049 0.000 0.931 88 K CB -0.243 32.228 32.500 -0.048 0.000 0.714 88 K HN 0.265 nan 8.250 nan 0.000 0.440 89 L N 1.522 122.712 121.223 -0.055 0.000 1.988 89 L HA -0.118 4.222 4.340 0.000 0.000 0.207 89 L C 2.026 178.868 176.870 -0.047 0.000 1.071 89 L CA 1.603 56.405 54.840 -0.063 0.000 0.744 89 L CB -0.521 41.494 42.059 -0.073 0.000 0.893 89 L HN 0.219 nan 8.230 nan 0.000 0.433 90 L N -0.594 120.609 121.223 -0.033 0.000 2.131 90 L HA -0.098 4.242 4.340 0.000 0.000 0.210 90 L C 2.508 179.393 176.870 0.025 0.000 1.092 90 L CA 1.079 55.916 54.840 -0.005 0.000 0.759 90 L CB -1.321 40.739 42.059 0.002 0.000 0.903 90 L HN 0.495 nan 8.230 nan 0.000 0.435 91 G N -0.268 108.543 108.800 0.019 0.000 2.440 91 G HA2 -0.206 3.754 3.960 0.000 0.000 0.218 91 G HA3 -0.206 3.754 3.960 0.000 0.000 0.218 91 G C 1.542 176.495 174.900 0.088 0.000 1.154 91 G CA 0.819 45.947 45.100 0.047 0.000 0.767 91 G HN 0.496 nan 8.290 nan 0.000 0.552 92 G N -0.420 108.412 108.800 0.054 0.000 2.539 92 G HA2 0.029 3.990 3.960 0.000 0.000 0.215 92 G HA3 0.029 3.990 3.960 0.000 0.000 0.215 92 G C 1.732 176.692 174.900 0.100 0.000 1.141 92 G CA 0.647 45.798 45.100 0.086 0.000 0.806 92 G HN 0.489 nan 8.290 nan 0.000 0.533 93 Q N -0.454 119.375 119.800 0.049 0.000 2.050 93 Q HA -0.059 4.281 4.340 0.000 0.000 0.202 93 Q C 2.427 178.464 176.000 0.063 0.000 0.980 93 Q CA 1.148 56.970 55.803 0.032 0.000 0.840 93 Q CB -0.257 28.479 28.738 -0.005 0.000 0.898 93 Q HN 0.417 nan 8.270 nan 0.000 0.424 94 L N 0.195 121.473 121.223 0.092 0.000 1.994 94 L HA -0.155 4.185 4.340 0.000 0.000 0.208 94 L C 1.969 178.927 176.870 0.147 0.000 1.071 94 L CA 1.744 56.648 54.840 0.106 0.000 0.745 94 L CB -0.680 41.459 42.059 0.132 0.000 0.892 94 L HN 0.395 nan 8.230 nan 0.000 0.431 95 W N 0.818 122.114 121.300 -0.007 0.000 2.342 95 W HA -0.295 4.365 4.660 0.000 0.000 0.297 95 W C 2.375 178.879 176.519 -0.025 0.000 1.213 95 W CA 1.943 59.278 57.345 -0.017 0.000 1.251 95 W CB 0.020 29.480 29.460 -0.001 0.000 1.136 95 W HN 0.522 nan 8.180 nan 0.000 0.526 96 E N -0.297 119.983 120.200 0.134 0.000 2.208 96 E HA -0.148 4.202 4.350 0.000 0.000 0.193 96 E C 2.011 178.589 176.600 -0.036 0.000 0.988 96 E CA 1.514 57.934 56.400 0.033 0.000 0.828 96 E CB -0.289 29.445 29.700 0.057 0.000 0.763 96 E HN -0.071 nan 8.360 nan 0.000 0.478 97 S N 0.248 115.929 115.700 -0.033 0.000 2.383 97 S HA -0.027 4.443 4.470 0.000 0.000 0.227 97 S C 1.869 176.403 174.600 -0.109 0.000 1.026 97 S CA 0.827 58.994 58.200 -0.055 0.000 0.981 97 S CB -0.058 63.120 63.200 -0.036 0.000 0.818 97 S HN 0.494 nan 8.310 nan 0.000 0.472 98 A N 0.321 123.035 122.820 -0.176 0.000 2.239 98 A HA 0.426 4.746 4.320 0.000 0.000 0.209 98 A C 1.555 178.969 177.584 -0.283 0.000 1.171 98 A CA 0.887 52.763 52.037 -0.268 0.000 0.768 98 A CB -0.844 17.894 19.000 -0.436 0.000 0.790 98 A HN 0.904 nan 8.150 nan 0.000 0.478 99 G N -1.623 107.046 108.800 -0.219 0.000 2.132 99 G HA2 -0.122 3.838 3.960 0.000 0.000 0.228 99 G HA3 -0.122 3.838 3.960 0.000 0.000 0.228 99 G C 0.377 175.152 174.900 -0.209 0.000 1.000 99 G CA 0.304 45.299 45.100 -0.174 0.000 0.693 99 G HN 1.318 nan 8.290 nan 0.000 0.515 100 S N -0.044 115.474 115.700 -0.304 0.000 3.436 100 S HA -0.127 4.343 4.470 0.000 0.000 0.393 100 S C -1.136 173.272 174.600 -0.320 0.000 0.914 100 S CA 0.972 58.995 58.200 -0.295 0.000 1.317 100 S CB -0.656 62.551 63.200 0.011 0.000 0.920 100 S HN 0.991 nan 8.310 nan 0.000 0.564 101 P HA 0.324 nan 4.420 nan 0.000 0.274 101 P C -0.369 176.869 177.300 -0.102 0.000 1.246 101 P CA -0.194 62.669 63.100 -0.396 0.000 0.795 101 P CB 0.618 31.969 31.700 -0.582 0.000 1.006 102 E N 0.839 121.022 120.200 -0.029 0.000 2.070 102 E HA 0.280 4.630 4.350 0.000 0.000 0.261 102 E C -0.105 176.537 176.600 0.069 0.000 0.926 102 E CA -0.633 55.811 56.400 0.073 0.000 0.760 102 E CB 1.235 30.960 29.700 0.042 0.000 1.133 102 E HN 0.271 nan 8.360 nan 0.000 0.420 103 V N -0.512 119.483 119.914 0.136 0.000 2.834 103 V HA 0.397 4.517 4.120 0.000 0.000 0.313 103 V C 0.217 176.413 176.094 0.170 0.000 1.060 103 V CA -1.083 61.304 62.300 0.146 0.000 0.989 103 V CB 1.888 33.761 31.823 0.083 0.000 1.041 103 V HN 0.259 nan 8.190 nan 0.000 0.459 104 D N 3.519 124.028 120.400 0.182 0.000 2.346 104 D HA 0.310 4.950 4.640 0.000 0.000 0.260 104 D C -1.618 174.805 176.300 0.206 0.000 1.252 104 D CA -1.863 52.232 54.000 0.159 0.000 0.895 104 D CB 1.597 42.477 40.800 0.134 0.000 1.097 104 D HN 0.395 nan 8.370 nan 0.000 0.489 105 P HA -0.114 nan 4.420 nan 0.000 0.218 105 P C 0.523 177.917 177.300 0.156 0.000 1.148 105 P CA 0.863 64.095 63.100 0.219 0.000 0.822 105 P CB 0.303 32.081 31.700 0.131 0.000 0.784 106 D N -1.230 119.236 120.400 0.111 0.000 2.312 106 D HA -0.051 4.589 4.640 0.000 0.000 0.211 106 D C 1.083 177.434 176.300 0.085 0.000 0.964 106 D CA 0.812 54.856 54.000 0.072 0.000 0.877 106 D CB -0.136 40.696 40.800 0.054 0.000 0.924 106 D HN 0.114 nan 8.370 nan 0.000 0.515 107 R N 0.301 120.881 120.500 0.135 0.000 2.767 107 R HA 0.184 4.524 4.340 0.000 0.000 0.377 107 R C -0.605 175.825 176.300 0.217 0.000 1.151 107 R CA -0.468 55.714 56.100 0.137 0.000 1.046 107 R CB -0.108 30.272 30.300 0.133 0.000 1.404 107 R HN 0.009 nan 8.270 nan 0.000 0.580 108 F N 0.767 120.734 119.950 0.030 0.000 2.579 108 F HA 0.680 5.207 4.527 0.000 0.000 0.325 108 F C -1.314 174.492 175.800 0.011 0.000 1.162 108 F CA -1.948 56.073 58.000 0.035 0.000 0.946 108 F CB 1.251 40.303 39.000 0.086 0.000 1.211 108 F HN 0.074 nan 8.300 nan 0.000 0.447 109 A N 4.475 127.273 122.820 -0.036 0.000 2.387 109 A HA 0.941 5.261 4.320 0.000 0.000 0.303 109 A C -1.746 175.689 177.584 -0.248 0.000 1.145 109 A CA -0.772 51.132 52.037 -0.222 0.000 0.801 109 A CB 1.856 20.813 19.000 -0.070 0.000 1.342 109 A HN 0.599 nan 8.150 nan 0.000 0.440 110 V N 0.164 119.950 119.914 -0.213 0.000 2.709 110 V HA 0.593 4.713 4.120 0.000 0.000 0.308 110 V C -1.107 174.947 176.094 -0.067 0.000 1.062 110 V CA -0.396 61.824 62.300 -0.133 0.000 0.901 110 V CB 1.924 33.628 31.823 -0.198 0.000 1.003 110 V HN 0.765 nan 8.190 nan 0.000 0.425 111 V N 4.630 124.535 119.914 -0.014 0.000 2.488 111 V HA 0.584 4.704 4.120 0.000 0.000 0.293 111 V C -0.811 175.290 176.094 0.012 0.000 1.027 111 V CA -0.551 61.748 62.300 -0.002 0.000 0.862 111 V CB 1.807 33.652 31.823 0.036 0.000 1.008 111 V HN 0.549 nan 8.190 nan 0.000 0.428 112 V N 3.569 123.479 119.914 -0.007 0.000 2.488 112 V HA 0.731 4.851 4.120 0.000 0.000 0.293 112 V C 0.674 176.765 176.094 -0.004 0.000 1.027 112 V CA -0.271 62.030 62.300 0.002 0.000 0.862 112 V CB 1.954 33.775 31.823 -0.005 0.000 1.008 112 V HN 0.943 nan 8.190 nan 0.000 0.428 113 G N 2.044 110.848 108.800 0.006 0.000 2.420 113 G HA2 0.613 4.573 3.960 0.000 0.000 0.284 113 G HA3 0.613 4.573 3.960 0.000 0.000 0.284 113 G C -0.363 174.541 174.900 0.007 0.000 1.177 113 G CA -0.163 44.937 45.100 -0.000 0.000 0.841 113 G HN 0.688 nan 8.290 nan 0.000 0.527 114 T N -0.873 113.683 114.554 0.004 0.000 2.868 114 T HA 0.536 4.886 4.350 0.000 0.000 0.306 114 T C 1.368 176.079 174.700 0.019 0.000 1.224 114 T CA 0.487 62.597 62.100 0.017 0.000 1.012 114 T CB 1.361 70.242 68.868 0.020 0.000 1.221 114 T HN 0.670 nan 8.240 nan 0.000 0.499 115 G N 1.314 110.134 108.800 0.033 0.000 2.404 115 G HA2 0.078 4.038 3.960 0.000 0.000 0.215 115 G HA3 0.078 4.038 3.960 0.000 0.000 0.215 115 G C 0.979 175.905 174.900 0.043 0.000 1.174 115 G CA 1.257 46.383 45.100 0.043 0.000 0.780 115 G HN 0.499 nan 8.290 nan 0.000 0.537 116 L N -1.850 119.396 121.223 0.037 0.000 2.769 116 L HA 0.606 4.946 4.340 0.000 0.000 0.175 116 L C 1.041 177.921 176.870 0.018 0.000 1.099 116 L CA 1.832 56.688 54.840 0.027 0.000 0.876 116 L CB 0.390 42.465 42.059 0.028 0.000 1.498 116 L HN 0.636 nan 8.230 nan 0.000 0.499 117 G N -1.441 107.374 108.800 0.025 0.000 2.315 117 G HA2 0.157 4.117 3.960 0.000 0.000 0.296 117 G HA3 0.157 4.117 3.960 0.000 0.000 0.296 117 G C -0.023 174.897 174.900 0.033 0.000 1.289 117 G CA -0.405 44.709 45.100 0.023 0.000 0.996 117 G HN 0.592 nan 8.290 nan 0.000 0.487 118 G N 0.338 109.156 108.800 0.030 0.000 3.180 118 G HA2 0.551 4.511 3.960 0.000 0.000 0.252 118 G HA3 0.551 4.511 3.960 0.000 0.000 0.252 118 G C 1.200 176.115 174.900 0.024 0.000 0.871 118 G CA 1.272 46.395 45.100 0.039 0.000 1.979 118 G HN 1.783 nan 8.290 nan 0.000 0.624 119 A N 0.935 123.764 122.820 0.015 0.000 2.167 119 A HA 0.033 4.353 4.320 0.000 0.000 0.214 119 A C 2.180 179.759 177.584 -0.008 0.000 1.151 119 A CA 1.227 53.262 52.037 -0.003 0.000 0.735 119 A CB 0.037 19.030 19.000 -0.012 0.000 0.802 119 A HN 0.562 nan 8.150 nan 0.000 0.467 120 E N -0.053 120.147 120.200 0.001 0.000 2.371 120 E HA -0.108 4.242 4.350 0.000 0.000 0.194 120 E C 1.230 177.841 176.600 0.019 0.000 1.012 120 E CA 0.315 56.715 56.400 0.000 0.000 0.860 120 E CB -0.301 29.395 29.700 -0.006 0.000 0.811 120 E HN 0.390 nan 8.360 nan 0.000 0.502 121 R N 0.603 121.119 120.500 0.025 0.000 2.236 121 R HA 0.213 4.553 4.340 0.000 0.000 0.208 121 R C 2.291 178.611 176.300 0.033 0.000 1.036 121 R CA 0.312 56.431 56.100 0.031 0.000 1.001 121 R CB -0.334 29.985 30.300 0.030 0.000 0.896 121 R HN 0.344 nan 8.270 nan 0.000 0.464 122 I N 0.599 121.182 120.570 0.022 0.000 2.333 122 I HA -0.184 3.986 4.170 0.000 0.000 0.246 122 I C 2.351 178.496 176.117 0.047 0.000 1.106 122 I CA 0.978 62.289 61.300 0.018 0.000 1.411 122 I CB -0.320 37.668 38.000 -0.020 0.000 1.082 122 I HN -0.082 nan 8.210 nan 0.000 0.420 123 V N -0.717 119.221 119.914 0.040 0.000 2.548 123 V HA -0.194 3.926 4.120 0.000 0.000 0.249 123 V C 2.270 178.450 176.094 0.143 0.000 1.055 123 V CA 1.827 64.183 62.300 0.094 0.000 1.065 123 V CB -0.754 31.096 31.823 0.046 0.000 0.681 123 V HN 0.548 nan 8.190 nan 0.000 0.462 124 E N 1.372 121.624 120.200 0.087 0.000 2.051 124 E HA -0.194 4.156 4.350 0.000 0.000 0.192 124 E C 2.176 178.821 176.600 0.076 0.000 0.991 124 E CA 1.852 58.295 56.400 0.072 0.000 0.799 124 E CB -0.350 29.379 29.700 0.050 0.000 0.748 124 E HN 0.643 nan 8.360 nan 0.000 0.449 125 S N -0.497 115.253 115.700 0.084 0.000 2.423 125 S HA -0.138 4.332 4.470 0.000 0.000 0.231 125 S C 1.502 176.169 174.600 0.111 0.000 1.014 125 S CA 1.081 59.328 58.200 0.078 0.000 0.965 125 S CB -0.372 62.869 63.200 0.070 0.000 0.785 125 S HN 0.482 nan 8.310 nan 0.000 0.495 126 Y N 2.161 122.462 120.300 0.002 0.000 2.269 126 Y HA -0.071 4.479 4.550 0.000 0.000 0.294 126 Y C 1.770 177.673 175.900 0.004 0.000 1.120 126 Y CA 1.195 59.295 58.100 0.002 0.000 1.159 126 Y CB -0.131 38.328 38.460 -0.001 0.000 1.024 126 Y HN 0.096 nan 8.280 nan 0.000 0.532 127 D N 0.332 120.728 120.400 -0.007 0.000 2.178 127 D HA -0.144 4.496 4.640 0.000 0.000 0.201 127 D C 1.888 178.139 176.300 -0.082 0.000 0.980 127 D CA 1.008 54.956 54.000 -0.086 0.000 0.842 127 D CB -0.020 40.788 40.800 0.014 0.000 0.948 127 D HN 0.319 nan 8.370 nan 0.000 0.472 128 L N 0.030 121.232 121.223 -0.034 0.000 2.209 128 L HA 0.091 4.431 4.340 0.000 0.000 0.207 128 L C 2.208 179.055 176.870 -0.038 0.000 1.094 128 L CA 0.909 55.735 54.840 -0.023 0.000 0.790 128 L CB -0.540 41.521 42.059 0.003 0.000 0.932 128 L HN 0.043 nan 8.230 nan 0.000 0.447 129 M N -1.079 118.491 119.600 -0.051 0.000 2.193 129 M HA -0.123 4.357 4.480 0.000 0.000 0.265 129 M C 1.749 177.994 176.300 -0.092 0.000 1.071 129 M CA 1.151 56.420 55.300 -0.053 0.000 1.140 129 M CB -0.026 32.557 32.600 -0.028 0.000 1.369 129 M HN 0.195 nan 8.290 nan 0.000 0.423 130 N N 1.024 119.621 118.700 -0.171 0.000 2.223 130 N HA -0.079 4.661 4.740 0.000 0.000 0.185 130 N C 1.448 176.888 175.510 -0.117 0.000 1.016 130 N CA 1.692 54.626 53.050 -0.194 0.000 0.863 130 N CB -0.316 37.960 38.487 -0.351 0.000 0.983 130 N HN 0.481 nan 8.380 nan 0.000 0.429 131 A N -1.041 121.724 122.820 -0.093 0.000 2.095 131 A HA 0.405 4.725 4.320 0.000 0.000 0.212 131 A C 1.738 179.298 177.584 -0.040 0.000 1.162 131 A CA 1.063 53.065 52.037 -0.057 0.000 0.753 131 A CB 0.120 19.093 19.000 -0.045 0.000 0.840 131 A HN 0.321 nan 8.150 nan 0.000 0.468 132 G N -2.104 106.673 108.800 -0.038 0.000 3.738 132 G HA2 0.511 4.471 3.960 0.000 0.000 0.241 132 G HA3 0.511 4.471 3.960 0.000 0.000 0.241 132 G C 0.706 175.593 174.900 -0.022 0.000 1.068 132 G CA 0.637 45.722 45.100 -0.025 0.000 0.899 132 G HN 1.599 nan 8.290 nan 0.000 0.519 133 G N 0.346 109.130 108.800 -0.027 0.000 2.660 133 G HA2 -0.056 3.904 3.960 0.000 0.000 0.247 133 G HA3 -0.056 3.904 3.960 0.000 0.000 0.247 133 G C -1.751 173.141 174.900 -0.013 0.000 1.328 133 G CA -0.082 45.006 45.100 -0.020 0.000 0.884 133 G HN 0.040 nan 8.290 nan 0.000 0.531 134 P HA 0.078 nan 4.420 nan 0.000 0.222 134 P C 1.681 178.982 177.300 0.001 0.000 1.153 134 P CA 1.022 64.122 63.100 -0.000 0.000 0.798 134 P CB 0.043 31.744 31.700 0.002 0.000 0.796 135 R N -0.501 119.998 120.500 -0.001 0.000 2.307 135 R HA 0.067 4.407 4.340 0.000 0.000 0.199 135 R C 1.391 177.691 176.300 0.001 0.000 1.000 135 R CA 0.510 56.611 56.100 0.000 0.000 1.023 135 R CB -0.180 30.119 30.300 -0.001 0.000 0.908 135 R HN 0.004 nan 8.270 nan 0.000 0.473 136 K N 0.458 120.858 120.400 -0.001 0.000 2.432 136 K HA 0.075 4.395 4.320 0.000 0.000 0.196 136 K C 0.301 176.904 176.600 0.005 0.000 1.038 136 K CA 0.247 56.534 56.287 -0.000 0.000 0.986 136 K CB 0.138 32.634 32.500 -0.006 0.000 0.782 136 K HN -0.098 nan 8.250 nan 0.000 0.485 137 V N 0.954 120.872 119.914 0.007 0.000 2.649 137 V HA 0.114 4.234 4.120 0.000 0.000 0.292 137 V C 0.446 176.547 176.094 0.011 0.000 1.055 137 V CA -0.531 61.777 62.300 0.013 0.000 1.023 137 V CB 1.527 33.360 31.823 0.016 0.000 0.992 137 V HN 0.085 nan 8.190 nan 0.000 0.480 138 S N 4.810 120.518 115.700 0.013 0.000 2.562 138 S HA 0.374 4.844 4.470 0.000 0.000 0.275 138 S C -1.505 173.100 174.600 0.009 0.000 1.281 138 S CA -1.276 56.930 58.200 0.011 0.000 1.045 138 S CB 1.329 64.536 63.200 0.012 0.000 0.962 138 S HN 0.620 nan 8.310 nan 0.000 0.503 139 P HA 0.038 nan 4.420 nan 0.000 0.228 139 P C 0.647 177.949 177.300 0.003 0.000 1.151 139 P CA 0.871 63.974 63.100 0.004 0.000 0.770 139 P CB 0.078 31.779 31.700 0.002 0.000 0.786 140 L N -2.197 119.029 121.223 0.005 0.000 2.585 140 L HA 0.204 4.544 4.340 0.000 0.000 0.226 140 L C 2.221 179.095 176.870 0.007 0.000 1.113 140 L CA 0.314 55.157 54.840 0.004 0.000 0.876 140 L CB -0.707 41.355 42.059 0.005 0.000 1.072 140 L HN -0.083 nan 8.230 nan 0.000 0.468 141 A N 0.488 123.314 122.820 0.010 0.000 1.948 141 A HA -0.162 4.158 4.320 0.000 0.000 0.220 141 A C 2.265 179.855 177.584 0.010 0.000 1.177 141 A CA 1.975 54.020 52.037 0.014 0.000 0.636 141 A CB -0.556 18.454 19.000 0.018 0.000 0.815 141 A HN 0.211 nan 8.150 nan 0.000 0.449 142 V N 0.748 120.665 119.914 0.006 0.000 2.346 142 V HA -0.249 3.871 4.120 0.000 0.000 0.244 142 V C 2.696 178.789 176.094 -0.002 0.000 1.037 142 V CA 1.865 64.167 62.300 0.002 0.000 1.029 142 V CB -0.928 30.895 31.823 -0.000 0.000 0.663 142 V HN 0.897 nan 8.190 nan 0.000 0.454 143 Q N -0.428 119.370 119.800 -0.003 0.000 2.364 143 Q HA -0.127 4.213 4.340 0.000 0.000 0.207 143 Q C 1.985 177.982 176.000 -0.005 0.000 0.970 143 Q CA 1.557 57.355 55.803 -0.008 0.000 0.888 143 Q CB -0.224 28.508 28.738 -0.010 0.000 0.951 143 Q HN 0.541 nan 8.270 nan 0.000 0.469 144 M N 0.030 119.631 119.600 0.001 0.000 2.325 144 M HA 0.064 4.544 4.480 0.000 0.000 0.265 144 M C 2.005 178.311 176.300 0.009 0.000 1.094 144 M CA 0.960 56.264 55.300 0.007 0.000 1.161 144 M CB 0.104 32.713 32.600 0.014 0.000 1.358 144 M HN 0.202 nan 8.290 nan 0.000 0.446 145 I N 0.795 121.370 120.570 0.008 0.000 2.500 145 I HA -0.108 4.062 4.170 0.000 0.000 0.252 145 I C 1.137 177.255 176.117 0.002 0.000 1.142 145 I CA 0.010 61.315 61.300 0.008 0.000 1.451 145 I CB -0.129 37.876 38.000 0.007 0.000 1.093 145 I HN 0.335 nan 8.210 nan 0.000 0.430 146 M N 1.388 120.986 119.600 -0.003 0.000 2.338 146 M HA 0.065 4.545 4.480 0.000 0.000 0.360 146 M C -1.876 174.418 176.300 -0.009 0.000 1.547 146 M CA -0.922 54.372 55.300 -0.009 0.000 1.001 146 M CB -0.578 32.014 32.600 -0.013 0.000 2.008 146 M HN -0.243 nan 8.290 nan 0.000 0.464 147 P HA -0.228 nan 4.420 nan 0.000 0.217 147 P C 0.750 178.040 177.300 -0.016 0.000 1.151 147 P CA 1.747 64.841 63.100 -0.010 0.000 0.849 147 P CB -0.318 31.374 31.700 -0.014 0.000 0.787 148 N N -0.953 117.733 118.700 -0.023 0.000 2.515 148 N HA -0.021 4.719 4.740 0.000 0.000 0.191 148 N C 1.670 177.162 175.510 -0.031 0.000 1.182 148 N CA 1.035 54.066 53.050 -0.032 0.000 0.879 148 N CB -1.262 37.202 38.487 -0.038 0.000 0.984 148 N HN 0.113 nan 8.380 nan 0.000 0.453 149 G N 0.788 109.575 108.800 -0.022 0.000 2.418 149 G HA2 -0.152 3.808 3.960 0.000 0.000 0.217 149 G HA3 -0.152 3.808 3.960 0.000 0.000 0.217 149 G C 1.653 176.537 174.900 -0.027 0.000 1.158 149 G CA 1.117 46.204 45.100 -0.022 0.000 0.771 149 G HN 0.529 nan 8.290 nan 0.000 0.545 150 A N 1.320 124.127 122.820 -0.023 0.000 1.858 150 A HA 0.273 4.593 4.320 0.000 0.000 0.216 150 A C 2.864 180.425 177.584 -0.039 0.000 1.190 150 A CA 2.340 54.360 52.037 -0.028 0.000 0.617 150 A CB -0.997 17.992 19.000 -0.018 0.000 0.827 150 A HN 0.840 nan 8.150 nan 0.000 0.443 151 A N -0.046 122.750 122.820 -0.040 0.000 1.892 151 A HA 0.038 4.358 4.320 0.000 0.000 0.218 151 A C 2.530 180.070 177.584 -0.073 0.000 1.188 151 A CA 2.585 54.589 52.037 -0.055 0.000 0.631 151 A CB -1.149 17.818 19.000 -0.055 0.000 0.822 151 A HN 1.149 nan 8.150 nan 0.000 0.447 152 A N -0.658 122.122 122.820 -0.066 0.000 1.877 152 A HA -0.021 4.299 4.320 0.000 0.000 0.216 152 A C 2.245 179.784 177.584 -0.076 0.000 1.186 152 A CA 1.887 53.881 52.037 -0.072 0.000 0.620 152 A CB -1.081 17.885 19.000 -0.056 0.000 0.822 152 A HN 0.469 nan 8.150 nan 0.000 0.443 153 V N 0.480 120.356 119.914 -0.062 0.000 2.287 153 V HA -0.319 3.801 4.120 0.000 0.000 0.248 153 V C 2.440 178.486 176.094 -0.080 0.000 1.053 153 V CA 2.223 64.486 62.300 -0.063 0.000 1.027 153 V CB -0.803 30.989 31.823 -0.050 0.000 0.646 153 V HN 0.584 nan 8.190 nan 0.000 0.447 154 I N 0.680 121.201 120.570 -0.081 0.000 2.163 154 I HA -0.136 4.034 4.170 0.000 0.000 0.240 154 I C 2.682 178.712 176.117 -0.147 0.000 1.081 154 I CA 1.738 62.983 61.300 -0.093 0.000 1.353 154 I CB -1.146 36.815 38.000 -0.064 0.000 1.054 154 I HN 0.403 nan 8.210 nan 0.000 0.407 155 G N 1.190 109.887 108.800 -0.172 0.000 2.442 155 G HA2 -0.259 3.701 3.960 0.000 0.000 0.219 155 G HA3 -0.259 3.701 3.960 0.000 0.000 0.219 155 G C 1.661 176.432 174.900 -0.216 0.000 1.141 155 G CA 0.651 45.599 45.100 -0.253 0.000 0.763 155 G HN 0.258 nan 8.290 nan 0.000 0.554 156 L N 0.051 121.185 121.223 -0.149 0.000 2.179 156 L HA 0.135 4.475 4.340 0.000 0.000 0.208 156 L C 2.643 179.444 176.870 -0.116 0.000 1.096 156 L CA 1.892 56.662 54.840 -0.117 0.000 0.779 156 L CB -0.333 41.675 42.059 -0.086 0.000 0.922 156 L HN 0.369 nan 8.230 nan 0.000 0.443 157 Q N -0.949 118.775 119.800 -0.127 0.000 2.172 157 Q HA -0.108 4.232 4.340 0.000 0.000 0.200 157 Q C 1.857 177.740 176.000 -0.194 0.000 0.964 157 Q CA 1.378 57.103 55.803 -0.129 0.000 0.855 157 Q CB 0.107 28.778 28.738 -0.112 0.000 0.918 157 Q HN 0.589 nan 8.270 nan 0.000 0.444 158 L N -1.684 119.390 121.223 -0.249 0.000 2.515 158 L HA 0.279 4.619 4.340 0.000 0.000 0.223 158 L C 1.021 177.767 176.870 -0.207 0.000 1.079 158 L CA 0.601 55.200 54.840 -0.403 0.000 0.857 158 L CB 0.596 42.389 42.059 -0.442 0.000 1.050 158 L HN 0.453 nan 8.230 nan 0.000 0.476 159 G N 0.923 109.632 108.800 -0.152 0.000 2.167 159 G HA2 -0.157 3.803 3.960 0.000 0.000 0.194 159 G HA3 -0.157 3.803 3.960 0.000 0.000 0.194 159 G C 0.183 175.024 174.900 -0.098 0.000 1.027 159 G CA -0.125 44.933 45.100 -0.071 0.000 0.717 159 G HN 0.387 nan 8.290 nan 0.000 0.501 160 A N 0.127 122.702 122.820 -0.409 0.000 2.396 160 A HA 0.721 5.041 4.320 0.000 0.000 0.279 160 A C 1.150 178.558 177.584 -0.293 0.000 1.165 160 A CA 0.161 51.807 52.037 -0.651 0.000 0.824 160 A CB 0.176 18.502 19.000 -1.124 0.000 1.100 160 A HN 0.527 nan 8.150 nan 0.000 0.516 161 R N 2.531 122.938 120.500 -0.155 0.000 2.535 161 R HA 0.214 4.554 4.340 0.000 0.000 0.323 161 R C 0.937 177.200 176.300 -0.062 0.000 0.979 161 R CA 0.610 56.658 56.100 -0.087 0.000 1.120 161 R CB 0.779 31.058 30.300 -0.036 0.000 1.306 161 R HN 0.671 nan 8.270 nan 0.000 0.540 162 A N 1.281 124.058 122.820 -0.071 0.000 2.415 162 A HA 0.466 4.787 4.320 0.000 0.000 0.248 162 A C 0.522 178.067 177.584 -0.064 0.000 1.299 162 A CA 0.302 52.316 52.037 -0.039 0.000 0.899 162 A CB 0.255 19.260 19.000 0.008 0.000 0.997 162 A HN 0.315 nan 8.150 nan 0.000 0.506 163 G N -1.545 107.196 108.800 -0.097 0.000 2.764 163 G HA2 0.259 4.219 3.960 0.000 0.000 0.678 163 G HA3 0.259 4.219 3.960 0.000 0.000 0.678 163 G C -1.191 173.633 174.900 -0.126 0.000 1.341 163 G CA -0.381 44.662 45.100 -0.093 0.000 0.836 163 G HN 0.752 nan 8.290 nan 0.000 0.632 164 V N 4.054 123.901 119.914 -0.112 0.000 2.447 164 V HA 0.720 4.840 4.120 0.000 0.000 0.292 164 V C 0.361 176.401 176.094 -0.089 0.000 1.021 164 V CA -0.404 61.826 62.300 -0.116 0.000 0.850 164 V CB 1.400 33.148 31.823 -0.125 0.000 1.005 164 V HN 0.763 nan 8.190 nan 0.000 0.426 165 M N 3.433 122.984 119.600 -0.082 0.000 2.465 165 M HA 0.568 5.048 4.480 0.000 0.000 0.316 165 M C -0.665 175.589 176.300 -0.077 0.000 1.121 165 M CA -0.437 54.812 55.300 -0.085 0.000 0.934 165 M CB 2.512 35.054 32.600 -0.096 0.000 1.692 165 M HN 0.384 nan 8.290 nan 0.000 0.444 166 T N 2.738 117.241 114.554 -0.085 0.000 2.977 166 T HA 0.478 4.828 4.350 0.000 0.000 0.346 166 T C -2.595 172.050 174.700 -0.091 0.000 1.140 166 T CA -1.179 60.879 62.100 -0.070 0.000 1.040 166 T CB 0.530 69.366 68.868 -0.054 0.000 1.046 166 T HN 0.346 nan 8.240 nan 0.000 0.494 167 P HA 0.373 nan 4.420 nan 0.000 0.287 167 P C -0.510 176.746 177.300 -0.074 0.000 1.294 167 P CA -0.663 62.371 63.100 -0.111 0.000 0.776 167 P CB 0.748 32.394 31.700 -0.090 0.000 0.889 168 V N 1.145 121.007 119.914 -0.086 0.000 2.347 168 V HA 0.711 4.831 4.120 0.000 0.000 0.280 168 V C 0.190 176.189 176.094 -0.158 0.000 1.021 168 V CA -0.332 61.920 62.300 -0.081 0.000 0.847 168 V CB 1.290 33.084 31.823 -0.047 0.000 0.990 168 V HN 0.565 nan 8.190 nan 0.000 0.444 169 S N 3.236 118.828 115.700 -0.181 0.000 2.701 169 S HA 0.757 5.227 4.470 0.000 0.000 0.228 169 S C 0.537 175.091 174.600 -0.076 0.000 0.948 169 S CA 0.496 58.466 58.200 -0.383 0.000 1.129 169 S CB 0.284 63.085 63.200 -0.665 0.000 1.352 169 S HN 2.667 nan 8.310 nan 0.000 0.446 170 A N 2.242 125.067 122.820 0.008 0.000 5.277 170 A HA -0.365 3.955 4.320 0.000 0.000 0.304 170 A C 1.184 178.771 177.584 0.004 0.000 1.976 170 A CA 1.606 53.672 52.037 0.048 0.000 0.715 170 A CB -1.847 17.227 19.000 0.123 0.000 1.275 170 A HN 0.654 nan 8.150 nan 0.000 0.367 171 Q N 0.677 120.458 119.800 -0.031 0.000 2.515 171 Q HA 0.188 4.528 4.340 0.000 0.000 0.212 171 Q C 1.678 177.702 176.000 0.040 0.000 0.970 171 Q CA 1.266 57.086 55.803 0.027 0.000 0.941 171 Q CB -0.080 28.690 28.738 0.053 0.000 0.998 171 Q HN 1.005 nan 8.270 nan 0.000 0.518 172 S N -2.660 113.031 115.700 -0.015 0.000 2.578 172 S HA 0.181 4.652 4.470 0.000 0.000 0.231 172 S C 1.403 175.978 174.600 -0.040 0.000 0.994 172 S CA -0.256 57.904 58.200 -0.067 0.000 0.956 172 S CB 0.450 63.603 63.200 -0.078 0.000 0.870 172 S HN 0.077 nan 8.310 nan 0.000 0.494 173 S N 2.062 117.750 115.700 -0.021 0.000 2.382 173 S HA -0.005 4.465 4.470 0.000 0.000 0.228 173 S C 1.986 176.589 174.600 0.004 0.000 1.027 173 S CA 1.409 59.599 58.200 -0.017 0.000 0.991 173 S CB -0.804 62.388 63.200 -0.012 0.000 0.823 173 S HN 0.752 nan 8.310 nan 0.000 0.469 174 G N 0.448 109.254 108.800 0.009 0.000 2.511 174 G HA2 -0.034 3.926 3.960 0.000 0.000 0.217 174 G HA3 -0.034 3.926 3.960 0.000 0.000 0.217 174 G C 1.467 176.381 174.900 0.023 0.000 1.133 174 G CA 0.588 45.701 45.100 0.021 0.000 0.792 174 G HN 0.500 nan 8.290 nan 0.000 0.539 175 S N -0.295 115.406 115.700 0.001 0.000 2.406 175 S HA 0.002 4.472 4.470 0.000 0.000 0.224 175 S C 2.041 176.644 174.600 0.005 0.000 1.030 175 S CA 0.818 59.015 58.200 -0.006 0.000 0.958 175 S CB 0.052 63.213 63.200 -0.064 0.000 0.811 175 S HN 0.586 nan 8.310 nan 0.000 0.489 176 E N 1.080 121.290 120.200 0.016 0.000 2.208 176 E HA -0.050 4.300 4.350 0.000 0.000 0.193 176 E C 2.008 178.709 176.600 0.169 0.000 0.988 176 E CA 0.749 57.191 56.400 0.070 0.000 0.828 176 E CB -0.121 29.630 29.700 0.085 0.000 0.763 176 E HN 0.458 nan 8.360 nan 0.000 0.478 177 A N 1.460 124.348 122.820 0.112 0.000 1.845 177 A HA -0.170 4.150 4.320 0.000 0.000 0.215 177 A C 2.134 179.793 177.584 0.126 0.000 1.195 177 A CA 1.310 53.417 52.037 0.117 0.000 0.616 177 A CB -0.725 18.313 19.000 0.063 0.000 0.832 177 A HN 0.317 nan 8.150 nan 0.000 0.443 178 I N -0.048 120.579 120.570 0.095 0.000 2.315 178 I HA -0.339 3.831 4.170 0.000 0.000 0.251 178 I C 2.865 179.034 176.117 0.087 0.000 1.125 178 I CA 1.053 62.413 61.300 0.100 0.000 1.392 178 I CB -0.433 37.634 38.000 0.112 0.000 1.065 178 I HN 0.407 nan 8.210 nan 0.000 0.424 179 A N 0.181 123.028 122.820 0.045 0.000 1.873 179 A HA -0.202 4.118 4.320 0.000 0.000 0.215 179 A C 2.165 179.753 177.584 0.006 0.000 1.186 179 A CA 1.371 53.394 52.037 -0.023 0.000 0.616 179 A CB -0.775 18.134 19.000 -0.151 0.000 0.823 179 A HN 0.430 nan 8.150 nan 0.000 0.442 180 H N -0.780 118.332 119.070 0.070 0.000 2.512 180 H HA 0.158 4.714 4.556 0.000 0.000 0.279 180 H C 2.491 177.833 175.328 0.023 0.000 0.999 180 H CA 0.884 56.953 56.048 0.036 0.000 1.283 180 H CB -0.157 29.608 29.762 0.006 0.000 1.421 180 H HN 0.547 nan 8.280 nan 0.000 0.554 181 A N 1.380 124.295 122.820 0.159 0.000 1.851 181 A HA -0.223 4.097 4.320 0.000 0.000 0.216 181 A C 2.277 179.916 177.584 0.093 0.000 1.195 181 A CA 1.608 53.711 52.037 0.110 0.000 0.622 181 A CB -1.315 17.758 19.000 0.120 0.000 0.831 181 A HN 0.569 nan 8.150 nan 0.000 0.444 182 W N 0.889 122.149 121.300 -0.065 0.000 2.305 182 W HA -0.250 4.410 4.660 0.000 0.000 0.308 182 W C 2.370 178.801 176.519 -0.146 0.000 1.226 182 W CA 2.316 59.589 57.345 -0.120 0.000 1.253 182 W CB -0.228 29.122 29.460 -0.183 0.000 1.146 182 W HN 0.291 nan 8.180 nan 0.000 0.507 183 R N -0.464 119.901 120.500 -0.224 0.000 2.075 183 R HA -0.217 4.124 4.340 0.000 0.000 0.232 183 R C 2.214 178.324 176.300 -0.316 0.000 1.126 183 R CA 1.811 57.661 56.100 -0.418 0.000 0.963 183 R CB -0.837 29.364 30.300 -0.165 0.000 0.858 183 R HN 0.224 nan 8.270 nan 0.000 0.435 184 Q N 0.940 120.651 119.800 -0.148 0.000 2.135 184 Q HA -0.115 4.225 4.340 0.000 0.000 0.204 184 Q C 1.804 177.724 176.000 -0.133 0.000 0.981 184 Q CA 1.468 57.210 55.803 -0.101 0.000 0.856 184 Q CB -0.015 28.701 28.738 -0.036 0.000 0.902 184 Q HN 0.359 nan 8.270 nan 0.000 0.425 185 I N -0.480 119.983 120.570 -0.178 0.000 2.193 185 I HA -0.191 3.979 4.170 0.000 0.000 0.240 185 I C 2.129 178.113 176.117 -0.221 0.000 1.084 185 I CA 1.110 62.313 61.300 -0.161 0.000 1.365 185 I CB -0.436 37.491 38.000 -0.121 0.000 1.064 185 I HN 0.236 nan 8.210 nan 0.000 0.410 186 V N -1.639 118.011 119.914 -0.440 0.000 2.720 186 V HA -0.200 3.920 4.120 0.000 0.000 0.256 186 V C 2.059 178.022 176.094 -0.218 0.000 1.082 186 V CA 1.491 63.546 62.300 -0.409 0.000 1.101 186 V CB -0.659 30.606 31.823 -0.930 0.000 0.693 186 V HN 0.377 nan 8.190 nan 0.000 0.479 187 M N 0.401 119.863 119.600 -0.230 0.000 2.514 187 M HA 0.338 4.818 4.480 0.000 0.000 0.258 187 M C 1.625 177.886 176.300 -0.065 0.000 1.119 187 M CA 1.101 56.330 55.300 -0.119 0.000 1.111 187 M CB 0.441 32.967 32.600 -0.123 0.000 1.390 187 M HN 0.689 nan 8.290 nan 0.000 0.475 188 G N 0.673 109.432 108.800 -0.068 0.000 2.148 188 G HA2 -0.199 3.761 3.960 0.000 0.000 0.203 188 G HA3 -0.199 3.761 3.960 0.000 0.000 0.203 188 G C 0.051 174.936 174.900 -0.024 0.000 0.993 188 G CA 0.222 45.303 45.100 -0.032 0.000 0.661 188 G HN 0.443 nan 8.290 nan 0.000 0.518 189 D N 0.308 120.686 120.400 -0.038 0.000 2.354 189 D HA 0.547 5.187 4.640 0.000 0.000 0.209 189 D C 1.243 177.536 176.300 -0.011 0.000 1.015 189 D CA 1.517 55.502 54.000 -0.025 0.000 0.867 189 D CB 0.526 41.306 40.800 -0.034 0.000 0.933 189 D HN 0.984 nan 8.370 nan 0.000 0.520 190 A N -0.497 122.316 122.820 -0.012 0.000 2.610 190 A HA 0.473 4.793 4.320 0.000 0.000 0.291 190 A C -0.624 176.965 177.584 0.008 0.000 1.086 190 A CA -0.631 51.415 52.037 0.014 0.000 0.677 190 A CB 1.209 20.223 19.000 0.023 0.000 1.278 190 A HN -0.170 nan 8.150 nan 0.000 0.414 191 D N -0.977 119.433 120.400 0.016 0.000 2.470 191 D HA 0.273 4.913 4.640 0.000 0.000 0.238 191 D C -0.088 176.111 176.300 -0.168 0.000 1.054 191 D CA 1.316 55.302 54.000 -0.024 0.000 0.896 191 D CB 1.458 42.301 40.800 0.071 0.000 1.118 191 D HN 0.519 nan 8.370 nan 0.000 0.497 192 V N -0.167 119.668 119.914 -0.132 0.000 2.888 192 V HA 0.791 4.911 4.120 0.000 0.000 0.309 192 V C -1.913 174.280 176.094 0.164 0.000 1.114 192 V CA -0.595 61.625 62.300 -0.133 0.000 0.940 192 V CB 1.925 33.494 31.823 -0.424 0.000 1.021 192 V HN 0.060 nan 8.190 nan 0.000 0.426 193 A N 4.772 127.703 122.820 0.184 0.000 2.486 193 A HA 0.829 5.149 4.320 0.000 0.000 0.300 193 A C -1.436 176.324 177.584 0.293 0.000 1.048 193 A CA -0.510 51.691 52.037 0.273 0.000 0.696 193 A CB 2.133 21.216 19.000 0.138 0.000 1.278 193 A HN 1.219 nan 8.150 nan 0.000 0.405 194 V N 1.825 121.957 119.914 0.362 0.000 2.383 194 V HA 0.503 4.623 4.120 0.000 0.000 0.275 194 V C 0.011 176.191 176.094 0.144 0.000 1.036 194 V CA -0.092 62.372 62.300 0.273 0.000 0.889 194 V CB 0.328 32.361 31.823 0.351 0.000 0.985 194 V HN 1.301 nan 8.190 nan 0.000 0.459 195 C N 2.887 122.260 119.300 0.122 0.000 3.090 195 C HA 1.099 5.559 4.460 0.000 0.000 0.305 195 C C 0.406 175.443 174.990 0.078 0.000 1.292 195 C CA -0.059 59.013 59.018 0.090 0.000 1.482 195 C CB 1.051 28.851 27.740 0.100 0.000 1.897 195 C HN 1.317 nan 8.230 nan 0.000 0.469 196 G N -0.000 108.837 108.800 0.062 0.000 2.439 196 G HA2 0.633 4.593 3.960 0.000 0.000 0.186 196 G HA3 0.633 4.593 3.960 0.000 0.000 0.186 196 G C -0.542 174.381 174.900 0.038 0.000 1.260 196 G CA 0.314 45.445 45.100 0.051 0.000 1.020 196 G HN 2.384 nan 8.290 nan 0.000 0.470 197 G N -1.361 107.459 108.800 0.033 0.000 2.703 197 G HA2 0.857 4.817 3.960 0.000 0.000 0.294 197 G HA3 0.857 4.817 3.960 0.000 0.000 0.294 197 G C -0.938 173.981 174.900 0.031 0.000 1.451 197 G CA 0.736 45.853 45.100 0.029 0.000 0.869 197 G HN 2.022 nan 8.290 nan 0.000 0.516 198 V N -2.054 117.879 119.914 0.032 0.000 3.040 198 V HA 1.017 5.137 4.120 0.000 0.000 0.312 198 V C -0.991 175.141 176.094 0.063 0.000 1.115 198 V CA -1.133 61.192 62.300 0.041 0.000 0.998 198 V CB 2.071 33.905 31.823 0.018 0.000 1.042 198 V HN 0.949 nan 8.190 nan 0.000 0.433 199 E N 0.629 120.890 120.200 0.102 0.000 2.392 199 E HA 0.676 5.026 4.350 0.000 0.000 0.279 199 E C 0.011 176.729 176.600 0.196 0.000 0.964 199 E CA 0.246 56.712 56.400 0.110 0.000 0.777 199 E CB 1.886 31.628 29.700 0.071 0.000 1.249 199 E HN 1.300 nan 8.360 nan 0.000 0.449 200 G N 2.016 110.884 108.800 0.114 0.000 2.699 200 G HA2 0.415 4.375 3.960 0.000 0.000 0.246 200 G HA3 0.415 4.375 3.960 0.000 0.000 0.246 200 G C -2.211 172.592 174.900 -0.161 0.000 1.219 200 G CA -0.729 44.366 45.100 -0.009 0.000 0.866 200 G HN 0.415 nan 8.290 nan 0.000 0.572 201 P HA 0.336 nan 4.420 nan 0.000 0.282 201 P C 0.104 177.256 177.300 -0.246 0.000 1.259 201 P CA -0.772 62.154 63.100 -0.290 0.000 0.826 201 P CB 1.011 32.456 31.700 -0.425 0.000 1.064 202 I N 1.568 122.050 120.570 -0.147 0.000 2.828 202 I HA -0.032 4.138 4.170 0.000 0.000 0.292 202 I C 1.184 177.273 176.117 -0.047 0.000 1.206 202 I CA 1.232 62.428 61.300 -0.173 0.000 1.420 202 I CB -0.168 37.820 38.000 -0.021 0.000 1.368 202 I HN 0.252 nan 8.210 nan 0.000 0.556 203 E N 3.732 123.782 120.200 -0.250 0.000 2.456 203 E HA 0.485 4.835 4.350 0.000 0.000 0.276 203 E C 0.261 176.509 176.600 -0.587 0.000 0.981 203 E CA -0.508 55.557 56.400 -0.560 0.000 0.814 203 E CB 1.873 31.337 29.700 -0.394 0.000 1.382 203 E HN 0.486 nan 8.360 nan 0.000 0.459 204 A N 0.722 123.033 122.820 -0.848 0.000 1.872 204 A HA -0.124 4.196 4.320 0.000 0.000 0.214 204 A C 1.902 179.298 177.584 -0.312 0.000 1.187 204 A CA 1.376 53.112 52.037 -0.501 0.000 0.614 204 A CB -0.422 18.320 19.000 -0.429 0.000 0.826 204 A HN 0.411 nan 8.150 nan 0.000 0.442 205 L N 0.489 121.521 121.223 -0.319 0.000 1.994 205 L HA -0.008 4.332 4.340 0.000 0.000 0.208 205 L C -0.756 176.063 176.870 -0.085 0.000 1.071 205 L CA 2.202 56.902 54.840 -0.234 0.000 0.745 205 L CB -1.289 40.641 42.059 -0.216 0.000 0.892 205 L HN 0.129 nan 8.230 nan 0.000 0.431 206 P HA -0.211 nan 4.420 nan 0.000 0.215 206 P C 2.136 179.704 177.300 0.447 0.000 1.163 206 P CA 1.915 65.147 63.100 0.219 0.000 0.894 206 P CB -0.070 31.713 31.700 0.139 0.000 0.791 207 I N -0.869 119.927 120.570 0.376 0.000 2.163 207 I HA -0.306 3.864 4.170 0.000 0.000 0.243 207 I C 2.340 178.561 176.117 0.173 0.000 1.085 207 I CA 1.657 63.172 61.300 0.358 0.000 1.347 207 I CB -0.835 37.328 38.000 0.272 0.000 1.044 207 I HN -0.078 nan 8.210 nan 0.000 0.408 208 A N 0.751 123.607 122.820 0.059 0.000 1.883 208 A HA -0.240 4.080 4.320 0.000 0.000 0.217 208 A C 2.548 180.129 177.584 -0.006 0.000 1.186 208 A CA 2.158 54.187 52.037 -0.012 0.000 0.624 208 A CB -1.002 17.927 19.000 -0.118 0.000 0.822 208 A HN 0.457 nan 8.150 nan 0.000 0.444 209 A N -0.946 121.861 122.820 -0.021 0.000 1.849 209 A HA -0.091 4.229 4.320 0.000 0.000 0.217 209 A C 1.938 179.469 177.584 -0.089 0.000 1.202 209 A CA 1.770 53.741 52.037 -0.110 0.000 0.629 209 A CB -0.974 17.892 19.000 -0.223 0.000 0.834 209 A HN 0.492 nan 8.150 nan 0.000 0.447 210 F N 0.956 120.957 119.950 0.085 0.000 2.333 210 F HA -0.118 4.409 4.527 0.000 0.000 0.300 210 F C 2.822 178.624 175.800 0.003 0.000 1.083 210 F CA 1.433 59.496 58.000 0.104 0.000 1.395 210 F CB -0.161 38.929 39.000 0.150 0.000 1.056 210 F HN 0.363 nan 8.300 nan 0.000 0.529 211 S N -1.073 114.694 115.700 0.111 0.000 2.470 211 S HA -0.063 4.407 4.470 0.000 0.000 0.225 211 S C 1.851 176.462 174.600 0.017 0.000 1.006 211 S CA 0.356 58.569 58.200 0.023 0.000 0.934 211 S CB -0.185 63.014 63.200 -0.002 0.000 0.778 211 S HN 0.136 nan 8.310 nan 0.000 0.517 212 M N 1.003 120.610 119.600 0.013 0.000 2.492 212 M HA 0.318 4.798 4.480 0.000 0.000 0.262 212 M C 1.680 177.979 176.300 -0.001 0.000 1.090 212 M CA 0.788 56.085 55.300 -0.005 0.000 1.110 212 M CB -1.210 31.374 32.600 -0.027 0.000 1.407 212 M HN 0.426 nan 8.290 nan 0.000 0.470 213 M N -0.972 118.642 119.600 0.024 0.000 2.558 213 M HA 0.044 4.524 4.480 0.000 0.000 0.255 213 M C 0.013 176.341 176.300 0.047 0.000 1.113 213 M CA 0.228 55.548 55.300 0.034 0.000 1.097 213 M CB -0.016 32.630 32.600 0.076 0.000 1.426 213 M HN 0.104 nan 8.290 nan 0.000 0.488 214 R N 0.154 120.677 120.500 0.039 0.000 3.205 214 R HA -0.197 4.143 4.340 0.000 0.000 0.249 214 R C 0.263 176.585 176.300 0.036 0.000 0.937 214 R CA 0.241 56.352 56.100 0.018 0.000 0.641 214 R CB -1.769 28.535 30.300 0.006 0.000 1.114 214 R HN 0.541 nan 8.270 nan 0.000 0.451 215 A N -0.042 122.815 122.820 0.062 0.000 2.469 215 A HA 0.330 4.650 4.320 0.000 0.000 0.245 215 A C 0.612 178.140 177.584 -0.093 0.000 1.221 215 A CA -0.038 52.073 52.037 0.123 0.000 0.946 215 A CB 0.529 19.767 19.000 0.397 0.000 1.049 215 A HN 0.253 nan 8.150 nan 0.000 0.529 216 M N -0.185 119.234 119.600 -0.301 0.000 2.598 216 M HA 0.385 4.865 4.480 0.000 0.000 0.317 216 M C 0.189 176.297 176.300 -0.319 0.000 1.201 216 M CA -0.491 54.448 55.300 -0.601 0.000 0.971 216 M CB 1.767 33.930 32.600 -0.729 0.000 1.657 216 M HN 0.091 nan 8.290 nan 0.000 0.470 217 S N 0.229 115.741 115.700 -0.313 0.000 2.548 217 S HA 0.274 4.744 4.470 0.000 0.000 0.277 217 S C 0.581 175.100 174.600 -0.136 0.000 1.315 217 S CA -0.442 57.656 58.200 -0.171 0.000 1.050 217 S CB 0.340 63.460 63.200 -0.133 0.000 0.918 217 S HN 0.778 nan 8.310 nan 0.000 0.497 218 T N 1.825 116.328 114.554 -0.085 0.000 3.200 218 T HA 0.279 4.629 4.350 0.000 0.000 0.284 218 T C 0.599 175.276 174.700 -0.037 0.000 1.009 218 T CA -0.441 61.625 62.100 -0.057 0.000 0.907 218 T CB -0.172 68.670 68.868 -0.043 0.000 1.120 218 T HN 0.588 nan 8.240 nan 0.000 0.534 219 R N 2.066 122.542 120.500 -0.040 0.000 4.576 219 R HA 0.213 4.553 4.340 0.000 0.000 0.185 219 R C 0.160 176.447 176.300 -0.020 0.000 1.837 219 R CA -0.017 56.067 56.100 -0.026 0.000 1.520 219 R CB -0.813 29.471 30.300 -0.026 0.000 1.403 219 R HN 0.447 nan 8.270 nan 0.000 0.831 220 N N 0.464 119.154 118.700 -0.015 0.000 2.331 220 N HA -0.177 4.563 4.740 0.000 0.000 0.180 220 N C 1.106 176.617 175.510 0.001 0.000 1.019 220 N CA 1.067 54.113 53.050 -0.008 0.000 0.881 220 N CB 0.089 38.575 38.487 -0.001 0.000 0.972 220 N HN 0.549 nan 8.380 nan 0.000 0.435 221 D N 1.305 121.705 120.400 0.001 0.000 2.178 221 D HA -0.179 4.461 4.640 0.000 0.000 0.201 221 D C -0.097 176.207 176.300 0.008 0.000 0.980 221 D CA 1.156 55.159 54.000 0.005 0.000 0.842 221 D CB -0.108 40.694 40.800 0.003 0.000 0.948 221 D HN 0.347 nan 8.370 nan 0.000 0.472 222 E N 0.613 120.816 120.200 0.006 0.000 2.675 222 E HA 0.226 4.576 4.350 0.000 0.000 0.236 222 E C -2.132 174.473 176.600 0.008 0.000 1.059 222 E CA -1.854 54.552 56.400 0.010 0.000 0.775 222 E CB 2.110 31.815 29.700 0.009 0.000 1.356 222 E HN -0.024 nan 8.360 nan 0.000 0.403 223 P HA -0.246 nan 4.420 nan 0.000 0.216 223 P C 0.875 178.179 177.300 0.005 0.000 1.157 223 P CA 1.349 64.452 63.100 0.004 0.000 0.880 223 P CB 0.309 32.023 31.700 0.024 0.000 0.791 224 E N -0.832 119.381 120.200 0.022 0.000 2.268 224 E HA -0.118 4.232 4.350 0.000 0.000 0.195 224 E C 1.370 177.983 176.600 0.021 0.000 0.995 224 E CA 0.652 57.068 56.400 0.026 0.000 0.836 224 E CB -0.220 29.502 29.700 0.036 0.000 0.763 224 E HN 0.341 nan 8.360 nan 0.000 0.491 225 R N -0.306 120.203 120.500 0.016 0.000 2.507 225 R HA 0.268 4.608 4.340 0.000 0.000 0.298 225 R C 1.409 177.713 176.300 0.006 0.000 0.999 225 R CA 0.108 56.217 56.100 0.016 0.000 1.082 225 R CB 0.668 30.977 30.300 0.015 0.000 1.246 225 R HN 0.006 nan 8.270 nan 0.000 0.553 226 A N 0.774 123.592 122.820 -0.003 0.000 1.903 226 A HA 0.012 4.332 4.320 0.000 0.000 0.213 226 A C 1.271 178.845 177.584 -0.018 0.000 1.185 226 A CA 0.597 52.623 52.037 -0.018 0.000 0.628 226 A CB 0.195 19.175 19.000 -0.034 0.000 0.830 226 A HN 0.170 nan 8.150 nan 0.000 0.446 227 S N 0.812 116.506 115.700 -0.010 0.000 2.416 227 S HA 0.362 4.832 4.470 0.000 0.000 0.302 227 S C -0.001 174.603 174.600 0.007 0.000 1.120 227 S CA -0.551 57.644 58.200 -0.009 0.000 1.067 227 S CB -0.379 62.816 63.200 -0.008 0.000 1.057 227 S HN 0.394 nan 8.310 nan 0.000 0.518 228 R N 4.831 125.334 120.500 0.006 0.000 2.983 228 R HA 0.274 4.614 4.340 0.000 0.000 0.300 228 R C -2.798 173.524 176.300 0.038 0.000 1.367 228 R CA -1.764 54.360 56.100 0.040 0.000 1.564 228 R CB 0.685 31.006 30.300 0.036 0.000 1.314 228 R HN 0.432 nan 8.270 nan 0.000 0.622 229 P HA -0.047 nan 4.420 nan 0.000 0.264 229 P C -0.123 177.232 177.300 0.091 0.000 1.193 229 P CA 0.339 63.366 63.100 -0.121 0.000 0.763 229 P CB 0.246 31.845 31.700 -0.169 0.000 0.810 230 F N -1.461 118.556 119.950 0.112 0.000 2.748 230 F HA -0.217 4.310 4.527 0.000 0.000 0.370 230 F C 0.778 176.718 175.800 0.232 0.000 0.620 230 F CA 1.110 59.219 58.000 0.181 0.000 1.233 230 F CB -1.806 37.308 39.000 0.190 0.000 1.708 230 F HN 0.310 nan 8.300 nan 0.000 0.298 231 D N 0.712 121.270 120.400 0.262 0.000 2.225 231 D HA 0.213 4.854 4.640 0.000 0.000 0.249 231 D C 1.234 177.564 176.300 0.051 0.000 1.052 231 D CA -0.226 53.842 54.000 0.113 0.000 0.909 231 D CB 1.732 42.580 40.800 0.080 0.000 1.186 231 D HN -0.004 nan 8.370 nan 0.000 0.431 232 K N 1.563 121.966 120.400 0.005 0.000 2.113 232 K HA -0.136 4.184 4.320 0.000 0.000 0.208 232 K C 0.698 177.300 176.600 0.002 0.000 1.047 232 K CA 1.575 57.864 56.287 0.003 0.000 0.928 232 K CB 0.075 32.565 32.500 -0.017 0.000 0.716 232 K HN 0.418 nan 8.250 nan 0.000 0.446 233 D N 0.826 121.224 120.400 -0.003 0.000 2.358 233 D HA -0.013 4.627 4.640 0.000 0.000 0.224 233 D C -0.271 176.027 176.300 -0.003 0.000 1.123 233 D CA -0.056 53.941 54.000 -0.005 0.000 0.833 233 D CB 0.041 40.836 40.800 -0.009 0.000 0.946 233 D HN 0.348 nan 8.370 nan 0.000 0.505 234 R N 1.589 122.090 120.500 0.002 0.000 2.594 234 R HA 0.129 4.469 4.340 0.000 0.000 0.272 234 R C 0.030 176.323 176.300 -0.012 0.000 1.074 234 R CA 0.062 56.160 56.100 -0.005 0.000 1.105 234 R CB 0.502 30.798 30.300 -0.007 0.000 1.008 234 R HN -0.176 nan 8.270 nan 0.000 0.472 235 D N 0.887 121.274 120.400 -0.021 0.000 2.760 235 D HA 0.225 4.865 4.640 0.000 0.000 0.314 235 D C 0.157 176.432 176.300 -0.042 0.000 1.464 235 D CA 0.045 54.029 54.000 -0.027 0.000 0.797 235 D CB 0.452 41.234 40.800 -0.030 0.000 1.149 235 D HN 0.900 nan 8.370 nan 0.000 0.455 236 G N 0.586 109.369 108.800 -0.029 0.000 2.408 236 G HA2 0.164 4.124 3.960 0.000 0.000 0.682 236 G HA3 0.164 4.124 3.960 0.000 0.000 0.682 236 G C -0.676 174.210 174.900 -0.024 0.000 1.303 236 G CA -0.683 44.402 45.100 -0.025 0.000 0.966 236 G HN 0.352 nan 8.290 nan 0.000 0.560 237 F N -0.314 119.572 119.950 -0.106 0.000 2.382 237 F HA 0.792 5.319 4.527 0.000 0.000 0.331 237 F C 0.212 175.896 175.800 -0.194 0.000 1.121 237 F CA -1.238 56.680 58.000 -0.138 0.000 1.183 237 F CB 1.409 40.335 39.000 -0.123 0.000 1.207 237 F HN 0.406 nan 8.300 nan 0.000 0.555 238 V N 4.101 124.003 119.914 -0.021 0.000 2.513 238 V HA 0.255 4.375 4.120 0.000 0.000 0.299 238 V C -0.295 175.860 176.094 0.102 0.000 1.035 238 V CA -0.812 61.421 62.300 -0.112 0.000 0.889 238 V CB 1.168 32.959 31.823 -0.052 0.000 0.988 238 V HN 0.658 nan 8.190 nan 0.000 0.440 239 F N 2.702 122.657 119.950 0.009 0.000 2.572 239 F HA 0.521 5.048 4.527 0.000 0.000 0.370 239 F C 1.057 176.856 175.800 -0.002 0.000 1.103 239 F CA -0.045 57.986 58.000 0.051 0.000 1.286 239 F CB 0.821 39.813 39.000 -0.013 0.000 1.105 239 F HN 0.557 nan 8.300 nan 0.000 0.583 240 G N 4.152 113.121 108.800 0.282 0.000 2.782 240 G HA2 0.361 4.321 3.960 0.000 0.000 0.280 240 G HA3 0.361 4.321 3.960 0.000 0.000 0.280 240 G C -1.013 173.953 174.900 0.109 0.000 1.526 240 G CA -0.694 44.482 45.100 0.127 0.000 1.083 240 G HN 0.535 nan 8.290 nan 0.000 0.552 241 E N 0.445 120.690 120.200 0.075 0.000 2.415 241 E HA 0.486 4.836 4.350 0.000 0.000 0.262 241 E C 0.389 177.054 176.600 0.109 0.000 1.038 241 E CA 0.695 57.148 56.400 0.089 0.000 0.921 241 E CB 1.277 31.052 29.700 0.125 0.000 0.950 241 E HN 0.833 nan 8.360 nan 0.000 0.438 242 A N 1.401 124.288 122.820 0.111 0.000 2.569 242 A HA 0.661 4.981 4.320 0.000 0.000 0.292 242 A C -0.935 176.704 177.584 0.091 0.000 1.032 242 A CA -0.202 51.895 52.037 0.100 0.000 0.669 242 A CB 1.516 20.565 19.000 0.083 0.000 1.290 242 A HN 0.624 nan 8.150 nan 0.000 0.422 243 G N -0.926 107.918 108.800 0.073 0.000 2.696 243 G HA2 0.989 4.949 3.960 0.000 0.000 0.295 243 G HA3 0.989 4.949 3.960 0.000 0.000 0.295 243 G C -0.772 174.152 174.900 0.041 0.000 1.398 243 G CA 0.247 45.379 45.100 0.053 0.000 0.920 243 G HN 2.258 nan 8.290 nan 0.000 0.492 244 A N 0.674 123.514 122.820 0.034 0.000 2.540 244 A HA 0.808 5.128 4.320 0.000 0.000 0.297 244 A C -1.347 176.255 177.584 0.030 0.000 1.056 244 A CA -0.487 51.566 52.037 0.028 0.000 0.700 244 A CB 1.143 20.155 19.000 0.020 0.000 1.280 244 A HN 0.870 nan 8.150 nan 0.000 0.398 245 L N 2.214 123.457 121.223 0.033 0.000 2.371 245 L HA 0.821 5.161 4.340 0.000 0.000 0.262 245 L C -0.166 176.733 176.870 0.047 0.000 1.006 245 L CA -0.714 54.156 54.840 0.050 0.000 0.818 245 L CB 2.332 44.430 42.059 0.065 0.000 1.354 245 L HN 0.957 nan 8.230 nan 0.000 0.415 246 M N 1.405 121.044 119.600 0.064 0.000 2.644 246 M HA 0.655 5.135 4.480 0.000 0.000 0.304 246 M C -1.579 174.773 176.300 0.087 0.000 1.215 246 M CA -0.915 54.420 55.300 0.058 0.000 0.871 246 M CB 2.600 35.232 32.600 0.053 0.000 1.740 246 M HN 0.340 nan 8.290 nan 0.000 0.464 247 L N 3.885 125.144 121.223 0.061 0.000 2.272 247 L HA 0.708 5.048 4.340 0.000 0.000 0.289 247 L C -0.894 176.003 176.870 0.045 0.000 1.032 247 L CA -0.628 54.248 54.840 0.060 0.000 0.810 247 L CB 1.009 43.063 42.059 -0.008 0.000 1.205 247 L HN 0.815 nan 8.230 nan 0.000 0.422 248 I N 2.356 122.966 120.570 0.067 0.000 2.846 248 I HA 0.898 5.068 4.170 0.000 0.000 0.307 248 I C -1.080 175.045 176.117 0.014 0.000 1.053 248 I CA -0.434 60.903 61.300 0.061 0.000 1.050 248 I CB 2.267 40.331 38.000 0.106 0.000 1.239 248 I HN 0.830 nan 8.210 nan 0.000 0.439 249 E N 1.598 121.803 120.200 0.007 0.000 2.403 249 E HA 0.252 4.602 4.350 0.000 0.000 0.280 249 E C -1.199 175.418 176.600 0.029 0.000 1.101 249 E CA -0.975 55.393 56.400 -0.054 0.000 0.856 249 E CB 1.064 30.664 29.700 -0.167 0.000 1.303 249 E HN 0.794 nan 8.360 nan 0.000 0.441 250 T N -1.844 112.737 114.554 0.044 0.000 2.855 250 T HA 0.012 4.362 4.350 0.000 0.000 0.314 250 T C 0.998 175.770 174.700 0.120 0.000 1.077 250 T CA 0.367 62.525 62.100 0.097 0.000 1.095 250 T CB 1.225 70.155 68.868 0.103 0.000 0.987 250 T HN 0.716 nan 8.240 nan 0.000 0.546 251 E N 0.172 120.446 120.200 0.124 0.000 2.110 251 E HA -0.201 4.149 4.350 0.000 0.000 0.193 251 E C 1.995 178.660 176.600 0.108 0.000 0.988 251 E CA 1.174 57.651 56.400 0.128 0.000 0.804 251 E CB -0.030 29.760 29.700 0.150 0.000 0.745 251 E HN 0.877 nan 8.360 nan 0.000 0.458 252 E N 0.017 120.279 120.200 0.102 0.000 2.031 252 E HA -0.262 4.088 4.350 0.000 0.000 0.193 252 E C 2.171 178.816 176.600 0.075 0.000 0.994 252 E CA 1.042 57.488 56.400 0.077 0.000 0.800 252 E CB -0.255 29.486 29.700 0.068 0.000 0.752 252 E HN 0.399 nan 8.360 nan 0.000 0.447 253 H N 0.230 119.309 119.070 0.016 0.000 2.319 253 H HA -0.131 4.425 4.556 0.000 0.000 0.299 253 H C 1.855 177.171 175.328 -0.021 0.000 1.092 253 H CA 1.983 58.030 56.048 -0.001 0.000 1.302 253 H CB -0.116 29.648 29.762 0.003 0.000 1.373 253 H HN 0.277 nan 8.280 nan 0.000 0.497 254 A N 1.481 124.403 122.820 0.171 0.000 1.877 254 A HA -0.146 4.174 4.320 0.000 0.000 0.216 254 A C 2.462 180.048 177.584 0.003 0.000 1.186 254 A CA 1.608 53.690 52.037 0.074 0.000 0.620 254 A CB -0.422 18.598 19.000 0.033 0.000 0.822 254 A HN 0.234 nan 8.150 nan 0.000 0.443 255 K N 0.251 120.661 120.400 0.016 0.000 2.032 255 K HA -0.119 4.201 4.320 0.000 0.000 0.209 255 K C 2.188 178.772 176.600 -0.027 0.000 1.048 255 K CA 1.674 57.964 56.287 0.004 0.000 0.927 255 K CB -0.824 31.694 32.500 0.031 0.000 0.712 255 K HN 0.363 nan 8.250 nan 0.000 0.441 256 A N 1.968 124.758 122.820 -0.050 0.000 1.917 256 A HA -0.226 4.094 4.320 0.000 0.000 0.219 256 A C 2.050 179.577 177.584 -0.096 0.000 1.182 256 A CA 2.297 54.284 52.037 -0.084 0.000 0.633 256 A CB -0.544 18.374 19.000 -0.137 0.000 0.819 256 A HN 0.580 nan 8.150 nan 0.000 0.448 257 R N -1.127 119.304 120.500 -0.114 0.000 2.317 257 R HA 0.336 4.676 4.340 0.000 0.000 0.208 257 R C 1.007 177.259 176.300 -0.080 0.000 0.914 257 R CA 0.735 56.772 56.100 -0.107 0.000 1.060 257 R CB -0.655 29.568 30.300 -0.129 0.000 1.015 257 R HN 0.870 nan 8.270 nan 0.000 0.498 258 G N 0.637 109.399 108.800 -0.063 0.000 2.246 258 G HA2 -0.311 3.649 3.960 0.000 0.000 0.273 258 G HA3 -0.311 3.649 3.960 0.000 0.000 0.273 258 G C 0.115 174.975 174.900 -0.068 0.000 1.055 258 G CA 0.179 45.247 45.100 -0.054 0.000 0.851 258 G HN 0.687 nan 8.290 nan 0.000 0.500 259 A N -0.361 122.413 122.820 -0.077 0.000 2.328 259 A HA 0.718 5.038 4.320 0.000 0.000 0.284 259 A C 0.519 178.029 177.584 -0.123 0.000 1.160 259 A CA 0.082 52.059 52.037 -0.099 0.000 0.818 259 A CB 0.684 19.624 19.000 -0.100 0.000 1.087 259 A HN 0.823 nan 8.150 nan 0.000 0.504 260 K N 3.804 124.122 120.400 -0.136 0.000 2.316 260 K HA 0.437 4.757 4.320 0.000 0.000 0.289 260 K C -2.727 173.717 176.600 -0.260 0.000 1.070 260 K CA -1.595 54.579 56.287 -0.188 0.000 0.928 260 K CB 0.340 32.763 32.500 -0.128 0.000 1.039 260 K HN 0.361 nan 8.250 nan 0.000 0.480 261 P HA 0.085 nan 4.420 nan 0.000 0.275 261 P C -0.246 176.845 177.300 -0.348 0.000 1.228 261 P CA -0.217 62.593 63.100 -0.483 0.000 0.786 261 P CB 0.721 31.859 31.700 -0.936 0.000 0.927 262 L N 0.668 121.795 121.223 -0.160 0.000 2.590 262 L HA 0.539 4.879 4.340 0.000 0.000 0.227 262 L C 0.853 177.727 176.870 0.007 0.000 1.099 262 L CA 0.186 54.978 54.840 -0.081 0.000 0.872 262 L CB -0.058 41.943 42.059 -0.097 0.000 1.088 262 L HN 0.448 nan 8.230 nan 0.000 0.479 263 A N 0.137 123.002 122.820 0.073 0.000 2.481 263 A HA 0.586 4.906 4.320 0.000 0.000 0.295 263 A C -1.374 176.354 177.584 0.240 0.000 0.986 263 A CA -0.831 51.315 52.037 0.182 0.000 0.617 263 A CB 0.800 19.877 19.000 0.128 0.000 1.364 263 A HN 0.086 nan 8.150 nan 0.000 0.452 264 R N -0.186 120.477 120.500 0.272 0.000 2.460 264 R HA 0.621 4.961 4.340 0.000 0.000 0.303 264 R C -1.039 175.345 176.300 0.140 0.000 0.968 264 R CA -0.753 55.480 56.100 0.221 0.000 0.889 264 R CB 1.777 32.200 30.300 0.204 0.000 1.123 264 R HN 0.557 nan 8.270 nan 0.000 0.455 265 L N 4.399 125.623 121.223 0.001 0.000 2.257 265 L HA 0.246 4.586 4.340 0.000 0.000 0.290 265 L C -0.042 176.605 176.870 -0.372 0.000 1.044 265 L CA 0.244 54.851 54.840 -0.388 0.000 0.810 265 L CB 0.818 42.660 42.059 -0.362 0.000 1.193 265 L HN 0.769 nan 8.230 nan 0.000 0.425 266 L N 4.529 125.443 121.223 -0.515 0.000 2.357 266 L HA 0.550 4.890 4.340 0.000 0.000 0.211 266 L C 1.007 177.457 176.870 -0.700 0.000 1.075 266 L CA 0.460 55.080 54.840 -0.368 0.000 0.830 266 L CB -0.091 41.842 42.059 -0.209 0.000 0.996 266 L HN 0.796 nan 8.230 nan 0.000 0.467 267 G N -0.634 107.460 108.800 -1.178 0.000 2.356 267 G HA2 0.633 4.593 3.960 0.000 0.000 0.294 267 G HA3 0.633 4.593 3.960 0.000 0.000 0.294 267 G C -2.200 172.006 174.900 -1.156 0.000 1.423 267 G CA 0.087 44.253 45.100 -1.556 0.000 0.806 267 G HN 0.048 nan 8.290 nan 0.000 0.527 268 A N -0.921 121.389 122.820 -0.851 0.000 2.465 268 A HA 0.860 5.180 4.320 0.000 0.000 0.292 268 A C -0.152 177.316 177.584 -0.193 0.000 1.041 268 A CA 0.189 51.974 52.037 -0.421 0.000 0.718 268 A CB 1.578 20.394 19.000 -0.308 0.000 1.266 268 A HN 2.111 nan 8.150 nan 0.000 0.403 269 G N 1.233 109.949 108.800 -0.140 0.000 2.417 269 G HA2 0.609 4.569 3.960 0.000 0.000 0.320 269 G HA3 0.609 4.569 3.960 0.000 0.000 0.320 269 G C -0.753 174.122 174.900 -0.043 0.000 1.204 269 G CA -0.436 44.626 45.100 -0.064 0.000 0.923 269 G HN 0.669 nan 8.290 nan 0.000 0.466 270 I N 2.288 122.849 120.570 -0.015 0.000 2.436 270 I HA 0.474 4.644 4.170 0.000 0.000 0.289 270 I C 0.424 176.573 176.117 0.053 0.000 1.010 270 I CA -0.618 60.692 61.300 0.017 0.000 1.098 270 I CB 2.381 40.387 38.000 0.009 0.000 1.266 270 I HN 0.649 nan 8.210 nan 0.000 0.434 271 T N 1.596 116.198 114.554 0.080 0.000 2.742 271 T HA 0.809 5.160 4.350 0.000 0.000 0.282 271 T C -0.357 174.410 174.700 0.112 0.000 1.025 271 T CA -0.710 61.441 62.100 0.085 0.000 1.020 271 T CB 1.984 70.895 68.868 0.072 0.000 1.317 271 T HN 0.589 nan 8.240 nan 0.000 0.538 272 S N -0.883 114.871 115.700 0.089 0.000 2.618 272 S HA 0.585 5.055 4.470 0.000 0.000 0.277 272 S C -0.579 174.054 174.600 0.054 0.000 1.138 272 S CA -0.732 57.511 58.200 0.073 0.000 0.844 272 S CB 1.825 65.064 63.200 0.065 0.000 1.127 272 S HN 0.617 nan 8.310 nan 0.000 0.474 273 D N 0.845 121.273 120.400 0.046 0.000 2.259 273 D HA 0.336 4.976 4.640 0.000 0.000 0.216 273 D C 1.337 177.697 176.300 0.099 0.000 0.961 273 D CA 1.465 55.508 54.000 0.072 0.000 0.878 273 D CB -0.436 40.428 40.800 0.106 0.000 1.009 273 D HN 1.189 nan 8.370 nan 0.000 0.490 274 A N -0.305 122.561 122.820 0.077 0.000 2.745 274 A HA -0.264 4.056 4.320 0.000 0.000 0.296 274 A C 0.750 178.415 177.584 0.135 0.000 1.500 274 A CA 1.124 53.203 52.037 0.069 0.000 0.766 274 A CB -2.288 16.744 19.000 0.053 0.000 1.030 274 A HN 0.374 nan 8.150 nan 0.000 0.489 275 F N -0.717 119.233 119.950 0.000 0.000 2.534 275 F HA 0.405 4.932 4.527 0.000 0.000 0.274 275 F C 0.996 176.839 175.800 0.071 0.000 0.917 275 F CA 1.315 59.332 58.000 0.028 0.000 1.145 275 F CB 0.254 39.271 39.000 0.028 0.000 1.145 275 F HN 0.522 nan 8.300 nan 0.000 0.746 276 H N -0.243 118.681 119.070 -0.244 0.000 2.907 276 H HA 0.339 4.895 4.556 0.000 0.000 0.361 276 H C 0.471 175.718 175.328 -0.136 0.000 1.194 276 H CA -0.598 55.236 56.048 -0.358 0.000 1.152 276 H CB 2.193 31.714 29.762 -0.402 0.000 1.867 276 H HN 0.073 nan 8.280 nan 0.000 0.561 277 M N 1.779 121.084 119.600 -0.491 0.000 2.435 277 M HA -0.031 4.449 4.480 0.000 0.000 0.265 277 M C 1.526 177.758 176.300 -0.113 0.000 1.104 277 M CA 1.032 56.178 55.300 -0.258 0.000 1.140 277 M CB -0.077 32.332 32.600 -0.318 0.000 1.372 277 M HN 0.518 nan 8.290 nan 0.000 0.456 278 V N -4.171 115.710 119.914 -0.055 0.000 3.451 278 V HA 0.566 4.686 4.120 0.000 0.000 0.288 278 V C 0.577 176.598 176.094 -0.121 0.000 1.502 278 V CA -0.176 61.909 62.300 -0.358 0.000 1.026 278 V CB -0.449 30.901 31.823 -0.788 0.000 0.840 278 V HN 0.101 nan 8.190 nan 0.000 0.437 279 A N 2.545 125.490 122.820 0.207 0.000 2.330 279 A HA 0.908 5.228 4.320 0.000 0.000 0.327 279 A C -2.808 174.945 177.584 0.281 0.000 1.155 279 A CA -1.906 50.217 52.037 0.144 0.000 0.803 279 A CB 0.928 19.865 19.000 -0.105 0.000 1.208 279 A HN 0.253 nan 8.150 nan 0.000 0.477 280 P HA 0.318 nan 4.420 nan 0.000 0.275 280 P C -0.031 177.216 177.300 -0.088 0.000 1.228 280 P CA 0.029 63.167 63.100 0.065 0.000 0.786 280 P CB 0.989 32.655 31.700 -0.056 0.000 0.927 281 A N 2.672 125.316 122.820 -0.294 0.000 2.546 281 A HA 0.301 4.621 4.320 0.000 0.000 0.243 281 A C 1.699 179.014 177.584 -0.449 0.000 1.063 281 A CA 0.387 51.974 52.037 -0.750 0.000 0.757 281 A CB -0.401 18.276 19.000 -0.538 0.000 0.991 281 A HN 0.619 nan 8.150 nan 0.000 0.503 282 A N 2.328 124.878 122.820 -0.449 0.000 1.972 282 A HA -0.127 4.194 4.320 0.000 0.000 0.219 282 A C 1.526 178.999 177.584 -0.186 0.000 1.169 282 A CA 1.883 53.776 52.037 -0.239 0.000 0.635 282 A CB -0.610 18.284 19.000 -0.177 0.000 0.810 282 A HN 0.947 nan 8.150 nan 0.000 0.446 283 D N -1.127 119.151 120.400 -0.204 0.000 2.378 283 D HA 0.153 4.793 4.640 0.000 0.000 0.222 283 D C 1.273 177.502 176.300 -0.118 0.000 0.980 283 D CA 0.854 54.773 54.000 -0.136 0.000 0.907 283 D CB -1.084 39.643 40.800 -0.122 0.000 0.899 283 D HN 0.681 nan 8.370 nan 0.000 0.527 284 G N -0.061 108.646 108.800 -0.155 0.000 2.361 284 G HA2 -0.335 3.625 3.960 0.000 0.000 0.294 284 G HA3 -0.335 3.625 3.960 0.000 0.000 0.294 284 G C 1.032 175.879 174.900 -0.090 0.000 1.004 284 G CA 0.666 45.679 45.100 -0.145 0.000 0.870 284 G HN 0.371 nan 8.290 nan 0.000 0.510 285 V N -0.095 119.769 119.914 -0.083 0.000 2.283 285 V HA -0.121 3.999 4.120 0.000 0.000 0.243 285 V C 2.903 178.983 176.094 -0.023 0.000 1.039 285 V CA 2.292 64.565 62.300 -0.046 0.000 1.016 285 V CB -0.323 31.473 31.823 -0.045 0.000 0.650 285 V HN 0.454 nan 8.190 nan 0.000 0.449 286 R N 0.446 120.931 120.500 -0.025 0.000 2.092 286 R HA 0.058 4.398 4.340 0.000 0.000 0.231 286 R C 2.279 178.601 176.300 0.037 0.000 1.119 286 R CA 1.375 57.481 56.100 0.009 0.000 0.970 286 R CB -1.352 28.957 30.300 0.015 0.000 0.864 286 R HN 0.519 nan 8.270 nan 0.000 0.440 287 A N 0.412 123.244 122.820 0.020 0.000 1.930 287 A HA -0.025 4.295 4.320 0.000 0.000 0.217 287 A C 2.250 179.908 177.584 0.124 0.000 1.175 287 A CA 1.679 53.779 52.037 0.106 0.000 0.627 287 A CB -0.807 18.147 19.000 -0.077 0.000 0.815 287 A HN 0.398 nan 8.150 nan 0.000 0.443 288 G N -1.228 107.603 108.800 0.051 0.000 2.712 288 G HA2 -0.025 3.935 3.960 0.000 0.000 0.212 288 G HA3 -0.025 3.935 3.960 0.000 0.000 0.212 288 G C 1.533 176.454 174.900 0.035 0.000 1.142 288 G CA 0.785 45.913 45.100 0.045 0.000 0.789 288 G HN 0.458 nan 8.290 nan 0.000 0.535 289 R N 1.163 121.683 120.500 0.034 0.000 2.119 289 R HA 0.257 4.597 4.340 0.000 0.000 0.222 289 R C 2.539 178.858 176.300 0.031 0.000 1.088 289 R CA 1.480 57.596 56.100 0.028 0.000 0.984 289 R CB -0.721 29.595 30.300 0.027 0.000 0.884 289 R HN 0.134 nan 8.270 nan 0.000 0.447 290 A N 0.384 123.234 122.820 0.049 0.000 1.930 290 A HA -0.079 4.241 4.320 0.000 0.000 0.217 290 A C 2.173 179.763 177.584 0.010 0.000 1.175 290 A CA 1.549 53.608 52.037 0.037 0.000 0.627 290 A CB -0.419 18.621 19.000 0.067 0.000 0.815 290 A HN 0.373 nan 8.150 nan 0.000 0.443 291 M N -0.980 118.637 119.600 0.029 0.000 2.117 291 M HA -0.119 4.361 4.480 0.000 0.000 0.262 291 M C 2.234 178.526 176.300 -0.013 0.000 1.065 291 M CA 1.936 57.239 55.300 0.005 0.000 1.114 291 M CB -0.795 31.823 32.600 0.031 0.000 1.361 291 M HN 0.373 nan 8.290 nan 0.000 0.408 292 T N -0.135 114.419 114.554 -0.000 0.000 2.746 292 T HA -0.149 4.201 4.350 0.000 0.000 0.267 292 T C 1.825 176.518 174.700 -0.012 0.000 1.039 292 T CA 1.392 63.489 62.100 -0.006 0.000 1.142 292 T CB -0.274 68.597 68.868 0.004 0.000 0.866 292 T HN 0.191 nan 8.240 nan 0.000 0.444 293 R N 2.032 122.527 120.500 -0.007 0.000 2.091 293 R HA -0.078 4.262 4.340 0.000 0.000 0.238 293 R C 2.580 178.858 176.300 -0.035 0.000 1.136 293 R CA 2.283 58.380 56.100 -0.005 0.000 0.959 293 R CB -1.095 29.207 30.300 0.004 0.000 0.856 293 R HN 0.481 nan 8.270 nan 0.000 0.437 294 S N -0.351 115.301 115.700 -0.081 0.000 2.423 294 S HA -0.075 4.395 4.470 0.000 0.000 0.231 294 S C 2.004 176.515 174.600 -0.148 0.000 1.014 294 S CA 1.183 59.284 58.200 -0.165 0.000 0.965 294 S CB -0.380 62.697 63.200 -0.206 0.000 0.785 294 S HN 0.393 nan 8.310 nan 0.000 0.495 295 L N 0.669 121.837 121.223 -0.092 0.000 2.341 295 L HA 0.120 4.460 4.340 0.000 0.000 0.214 295 L C 2.727 179.564 176.870 -0.055 0.000 1.115 295 L CA 0.886 55.674 54.840 -0.087 0.000 0.820 295 L CB -0.421 41.598 42.059 -0.067 0.000 0.944 295 L HN 0.374 nan 8.230 nan 0.000 0.452 296 E N 0.517 120.705 120.200 -0.021 0.000 2.046 296 E HA -0.155 4.195 4.350 0.000 0.000 0.190 296 E C 2.302 178.941 176.600 0.064 0.000 0.982 296 E CA 0.979 57.388 56.400 0.015 0.000 0.800 296 E CB -0.058 29.660 29.700 0.031 0.000 0.756 296 E HN 0.414 nan 8.360 nan 0.000 0.449 297 L N 0.796 122.080 121.223 0.102 0.000 2.027 297 L HA -0.126 4.214 4.340 0.000 0.000 0.206 297 L C 2.645 179.650 176.870 0.225 0.000 1.074 297 L CA 1.016 56.026 54.840 0.283 0.000 0.745 297 L CB -0.548 41.671 42.059 0.267 0.000 0.898 297 L HN 0.118 nan 8.230 nan 0.000 0.433 298 A N -0.103 122.715 122.820 -0.004 0.000 1.978 298 A HA 0.002 4.322 4.320 0.000 0.000 0.220 298 A C 1.867 179.434 177.584 -0.029 0.000 1.170 298 A CA 1.452 53.453 52.037 -0.059 0.000 0.636 298 A CB -0.826 18.066 19.000 -0.179 0.000 0.810 298 A HN 0.628 nan 8.150 nan 0.000 0.448 299 G N -2.203 106.580 108.800 -0.028 0.000 2.132 299 G HA2 -0.167 3.793 3.960 0.000 0.000 0.228 299 G HA3 -0.167 3.793 3.960 0.000 0.000 0.228 299 G C -0.043 174.796 174.900 -0.102 0.000 1.000 299 G CA 0.279 45.353 45.100 -0.043 0.000 0.693 299 G HN 0.463 nan 8.290 nan 0.000 0.515 300 L N 0.766 121.906 121.223 -0.139 0.000 2.332 300 L HA 0.781 5.121 4.340 0.000 0.000 0.269 300 L C 1.016 177.820 176.870 -0.110 0.000 1.016 300 L CA -0.480 54.245 54.840 -0.191 0.000 0.809 300 L CB 1.887 43.766 42.059 -0.299 0.000 1.280 300 L HN 0.382 nan 8.230 nan 0.000 0.447 301 S N -0.566 115.079 115.700 -0.092 0.000 2.638 301 S HA 0.477 4.947 4.470 0.000 0.000 0.298 301 S C -2.235 172.348 174.600 -0.029 0.000 1.111 301 S CA -1.408 56.766 58.200 -0.045 0.000 1.027 301 S CB 1.654 64.840 63.200 -0.024 0.000 1.064 301 S HN 0.352 nan 8.310 nan 0.000 0.525 302 P HA 0.010 nan 4.420 nan 0.000 0.221 302 P C 1.201 178.516 177.300 0.024 0.000 1.145 302 P CA 1.366 64.469 63.100 0.005 0.000 0.795 302 P CB -0.188 31.516 31.700 0.006 0.000 0.775 303 A N -0.401 122.434 122.820 0.025 0.000 2.119 303 A HA -0.112 4.208 4.320 0.000 0.000 0.217 303 A C 1.616 179.245 177.584 0.076 0.000 1.153 303 A CA 1.298 53.361 52.037 0.043 0.000 0.692 303 A CB -0.779 18.241 19.000 0.034 0.000 0.799 303 A HN 0.077 nan 8.150 nan 0.000 0.458 304 D N -0.264 120.185 120.400 0.083 0.000 2.348 304 D HA 0.073 4.713 4.640 0.000 0.000 0.211 304 D C 0.169 176.636 176.300 0.278 0.000 0.998 304 D CA 0.188 54.300 54.000 0.186 0.000 0.873 304 D CB 0.104 40.955 40.800 0.084 0.000 0.925 304 D HN 0.217 nan 8.370 nan 0.000 0.524 305 I N 2.487 123.155 120.570 0.163 0.000 2.347 305 I HA 0.002 4.172 4.170 0.000 0.000 0.294 305 I C 0.996 177.213 176.117 0.166 0.000 1.090 305 I CA -0.006 61.396 61.300 0.170 0.000 1.314 305 I CB 0.682 38.735 38.000 0.089 0.000 1.423 305 I HN -0.165 nan 8.210 nan 0.000 0.503 306 D N 3.766 124.297 120.400 0.220 0.000 2.271 306 D HA -0.037 4.603 4.640 0.000 0.000 0.206 306 D C 0.520 176.971 176.300 0.251 0.000 0.967 306 D CA 0.990 55.136 54.000 0.243 0.000 0.867 306 D CB 0.497 41.486 40.800 0.315 0.000 0.960 306 D HN 0.532 nan 8.370 nan 0.000 0.509 307 H N -0.366 118.741 119.070 0.062 0.000 2.806 307 H HA 0.450 5.006 4.556 0.000 0.000 0.367 307 H C -1.663 173.661 175.328 -0.007 0.000 1.136 307 H CA -0.672 55.346 56.048 -0.050 0.000 1.178 307 H CB 1.752 31.384 29.762 -0.217 0.000 1.718 307 H HN -0.365 nan 8.280 nan 0.000 0.540 308 V N 5.048 124.558 119.914 -0.673 0.000 2.447 308 V HA 0.214 4.334 4.120 0.000 0.000 0.292 308 V C -0.139 175.566 176.094 -0.648 0.000 1.021 308 V CA -1.103 60.903 62.300 -0.491 0.000 0.850 308 V CB 1.308 33.015 31.823 -0.193 0.000 1.005 308 V HN 0.801 nan 8.190 nan 0.000 0.426 309 N N 3.815 122.226 118.700 -0.481 0.000 2.401 309 N HA 0.381 5.121 4.740 0.000 0.000 0.255 309 N C -0.040 175.423 175.510 -0.078 0.000 1.110 309 N CA 0.024 52.977 53.050 -0.161 0.000 0.949 309 N CB 1.688 40.167 38.487 -0.014 0.000 1.110 309 N HN 0.850 nan 8.380 nan 0.000 0.490 310 A N 3.185 125.989 122.820 -0.027 0.000 2.309 310 A HA 0.168 4.488 4.320 0.000 0.000 0.298 310 A C 1.154 178.781 177.584 0.072 0.000 1.165 310 A CA -0.419 51.674 52.037 0.094 0.000 0.821 310 A CB 0.413 19.570 19.000 0.262 0.000 1.102 310 A HN 0.904 nan 8.150 nan 0.000 0.500 311 H N 2.840 121.923 119.070 0.020 0.000 2.321 311 H HA -0.085 4.471 4.556 0.000 0.000 0.295 311 H C 1.584 176.861 175.328 -0.085 0.000 1.102 311 H CA 1.895 57.913 56.048 -0.050 0.000 1.266 311 H CB -0.455 29.373 29.762 0.110 0.000 1.363 311 H HN 1.256 nan 8.280 nan 0.000 0.492 312 G N 0.337 109.100 108.800 -0.063 0.000 2.121 312 G HA2 -0.306 3.654 3.960 0.000 0.000 0.237 312 G HA3 -0.306 3.654 3.960 0.000 0.000 0.237 312 G C 0.832 175.496 174.900 -0.395 0.000 0.628 312 G CA 0.959 45.865 45.100 -0.324 0.000 1.062 312 G HN 0.576 nan 8.290 nan 0.000 0.350 313 T N 0.786 115.114 114.554 -0.377 0.000 3.081 313 T HA 0.385 4.736 4.350 0.000 0.000 0.255 313 T C 2.032 176.662 174.700 -0.116 0.000 1.113 313 T CA 1.688 63.621 62.100 -0.279 0.000 1.082 313 T CB -0.251 68.503 68.868 -0.190 0.000 0.939 313 T HN 2.169 nan 8.240 nan 0.000 0.506 314 A N 1.271 123.983 122.820 -0.181 0.000 3.031 314 A HA -0.141 4.179 4.320 0.000 0.000 0.244 314 A C 0.800 178.357 177.584 -0.045 0.000 1.341 314 A CA 0.993 52.960 52.037 -0.116 0.000 0.943 314 A CB -2.681 16.283 19.000 -0.061 0.000 1.122 314 A HN 0.662 nan 8.150 nan 0.000 0.760 315 T N -3.528 111.013 114.554 -0.022 0.000 2.907 315 T HA 0.633 4.983 4.350 0.000 0.000 0.284 315 T C -1.164 173.531 174.700 -0.008 0.000 1.004 315 T CA -1.396 60.720 62.100 0.027 0.000 1.063 315 T CB 1.646 70.578 68.868 0.108 0.000 0.992 315 T HN -0.026 nan 8.240 nan 0.000 0.483 316 P HA -0.106 nan 4.420 nan 0.000 0.214 316 P C 1.481 178.781 177.300 -0.001 0.000 1.163 316 P CA 0.471 63.571 63.100 -0.000 0.000 0.889 316 P CB -0.002 31.702 31.700 0.006 0.000 0.790 317 I N -0.553 120.023 120.570 0.011 0.000 2.333 317 I HA 0.014 4.184 4.170 0.000 0.000 0.246 317 I C 2.103 178.218 176.117 -0.003 0.000 1.106 317 I CA 1.491 62.794 61.300 0.004 0.000 1.411 317 I CB -1.484 36.522 38.000 0.011 0.000 1.082 317 I HN -0.125 nan 8.210 nan 0.000 0.420 318 G N 0.085 108.896 108.800 0.019 0.000 2.459 318 G HA2 -0.291 3.669 3.960 0.000 0.000 0.217 318 G HA3 -0.291 3.669 3.960 0.000 0.000 0.217 318 G C 1.345 176.218 174.900 -0.045 0.000 1.183 318 G CA 1.153 46.263 45.100 0.017 0.000 0.776 318 G HN 0.381 nan 8.290 nan 0.000 0.552 319 D N 0.777 121.106 120.400 -0.118 0.000 2.178 319 D HA 0.050 4.690 4.640 0.000 0.000 0.201 319 D C 2.725 179.048 176.300 0.038 0.000 0.980 319 D CA 1.121 54.978 54.000 -0.238 0.000 0.842 319 D CB -0.352 40.166 40.800 -0.469 0.000 0.948 319 D HN 0.328 nan 8.370 nan 0.000 0.472 320 A N 0.945 123.782 122.820 0.028 0.000 1.854 320 A HA 0.049 4.369 4.320 0.000 0.000 0.214 320 A C 2.303 179.900 177.584 0.021 0.000 1.192 320 A CA 1.981 54.050 52.037 0.054 0.000 0.611 320 A CB -0.924 18.088 19.000 0.020 0.000 0.832 320 A HN 0.211 nan 8.150 nan 0.000 0.442 321 A N -0.270 122.527 122.820 -0.038 0.000 1.940 321 A HA -0.216 4.104 4.320 0.000 0.000 0.219 321 A C 2.022 179.533 177.584 -0.122 0.000 1.176 321 A CA 1.986 53.960 52.037 -0.104 0.000 0.631 321 A CB -0.540 18.367 19.000 -0.156 0.000 0.814 321 A HN 0.718 nan 8.150 nan 0.000 0.446 322 E N -0.239 119.914 120.200 -0.078 0.000 2.107 322 E HA -0.017 4.334 4.350 0.000 0.000 0.191 322 E C 2.047 178.713 176.600 0.111 0.000 0.982 322 E CA 0.863 57.251 56.400 -0.021 0.000 0.809 322 E CB -0.263 29.521 29.700 0.140 0.000 0.756 322 E HN 0.518 nan 8.360 nan 0.000 0.459 323 A N 1.298 124.224 122.820 0.178 0.000 1.933 323 A HA -0.198 4.122 4.320 0.000 0.000 0.218 323 A C 1.928 179.538 177.584 0.043 0.000 1.175 323 A CA 1.579 53.691 52.037 0.126 0.000 0.628 323 A CB -0.598 18.495 19.000 0.155 0.000 0.814 323 A HN 0.263 nan 8.150 nan 0.000 0.444 324 N N 0.311 119.022 118.700 0.018 0.000 2.309 324 N HA -0.052 4.688 4.740 0.000 0.000 0.182 324 N C 1.754 177.252 175.510 -0.020 0.000 1.018 324 N CA 1.348 54.391 53.050 -0.013 0.000 0.876 324 N CB -0.442 38.021 38.487 -0.039 0.000 0.972 324 N HN 0.498 nan 8.380 nan 0.000 0.434 325 A N 0.905 123.711 122.820 -0.023 0.000 1.872 325 A HA 0.029 4.349 4.320 0.000 0.000 0.214 325 A C 2.203 179.802 177.584 0.024 0.000 1.187 325 A CA 0.661 52.690 52.037 -0.014 0.000 0.614 325 A CB -0.547 18.431 19.000 -0.037 0.000 0.826 325 A HN 0.195 nan 8.150 nan 0.000 0.442 326 I N -0.876 119.719 120.570 0.041 0.000 2.454 326 I HA -0.234 3.936 4.170 0.000 0.000 0.254 326 I C 2.710 178.834 176.117 0.012 0.000 1.156 326 I CA 1.050 62.370 61.300 0.034 0.000 1.433 326 I CB -0.303 37.712 38.000 0.025 0.000 1.082 326 I HN 0.273 nan 8.210 nan 0.000 0.432 327 R N 0.216 120.720 120.500 0.006 0.000 2.073 327 R HA -0.064 4.276 4.340 0.000 0.000 0.229 327 R C 2.373 178.673 176.300 0.001 0.000 1.120 327 R CA 1.092 57.192 56.100 0.001 0.000 0.967 327 R CB -0.200 30.099 30.300 -0.002 0.000 0.862 327 R HN 0.191 nan 8.270 nan 0.000 0.436 328 V N 0.862 120.775 119.914 -0.001 0.000 2.427 328 V HA -0.196 3.924 4.120 0.000 0.000 0.248 328 V C 2.308 178.404 176.094 0.004 0.000 1.051 328 V CA 1.878 64.177 62.300 -0.002 0.000 1.048 328 V CB -0.544 31.274 31.823 -0.008 0.000 0.666 328 V HN 0.387 nan 8.190 nan 0.000 0.456 329 A N -0.446 122.379 122.820 0.010 0.000 2.067 329 A HA 0.239 4.559 4.320 0.000 0.000 0.219 329 A C 2.045 179.634 177.584 0.007 0.000 1.158 329 A CA 1.361 53.405 52.037 0.012 0.000 0.661 329 A CB -0.614 18.398 19.000 0.020 0.000 0.801 329 A HN 1.325 nan 8.150 nan 0.000 0.452 330 G N -3.092 105.712 108.800 0.007 0.000 2.132 330 G HA2 -0.241 3.719 3.960 0.000 0.000 0.228 330 G HA3 -0.241 3.719 3.960 0.000 0.000 0.228 330 G C 0.414 175.319 174.900 0.009 0.000 1.000 330 G CA 0.194 45.298 45.100 0.007 0.000 0.693 330 G HN 0.664 nan 8.290 nan 0.000 0.515 331 C N 1.361 120.666 119.300 0.009 0.000 2.884 331 C HA 0.256 4.716 4.460 0.000 0.000 0.287 331 C C 1.821 176.812 174.990 0.002 0.000 1.310 331 C CA 0.065 59.089 59.018 0.010 0.000 1.725 331 C CB -0.473 27.272 27.740 0.009 0.000 2.060 331 C HN 0.701 nan 8.230 nan 0.000 0.618 332 D N 0.275 120.674 120.400 -0.002 0.000 2.358 332 D HA -0.098 4.542 4.640 0.000 0.000 0.241 332 D C 1.328 177.623 176.300 -0.009 0.000 1.094 332 D CA 0.620 54.611 54.000 -0.015 0.000 0.907 332 D CB -0.070 40.721 40.800 -0.015 0.000 0.893 332 D HN 0.432 nan 8.370 nan 0.000 0.528 333 Q N 0.070 119.874 119.800 0.007 0.000 2.319 333 Q HA 0.260 4.600 4.340 0.000 0.000 0.209 333 Q C 0.761 176.781 176.000 0.032 0.000 0.884 333 Q CA -0.043 55.772 55.803 0.019 0.000 0.938 333 Q CB 0.904 29.659 28.738 0.028 0.000 1.098 333 Q HN 0.382 nan 8.270 nan 0.000 0.517 334 A N 1.087 123.924 122.820 0.027 0.000 2.386 334 A HA 0.550 4.870 4.320 0.000 0.000 0.248 334 A C 0.090 177.697 177.584 0.039 0.000 1.082 334 A CA 0.104 52.171 52.037 0.049 0.000 0.789 334 A CB 0.275 19.291 19.000 0.028 0.000 1.025 334 A HN 0.237 nan 8.150 nan 0.000 0.490 335 A N 0.974 123.850 122.820 0.094 0.000 2.440 335 A HA 0.513 4.833 4.320 0.000 0.000 0.251 335 A C -0.054 177.570 177.584 0.067 0.000 1.089 335 A CA -0.102 51.990 52.037 0.091 0.000 0.779 335 A CB -0.074 19.009 19.000 0.139 0.000 1.022 335 A HN 1.059 nan 8.150 nan 0.000 0.492 336 V N 2.771 122.684 119.914 -0.002 0.000 2.555 336 V HA 0.469 4.589 4.120 0.000 0.000 0.302 336 V C -0.912 175.226 176.094 0.073 0.000 1.038 336 V CA -0.418 61.843 62.300 -0.064 0.000 0.887 336 V CB 1.504 33.193 31.823 -0.223 0.000 0.991 336 V HN 0.811 nan 8.190 nan 0.000 0.434 337 Y N 3.117 123.393 120.300 -0.040 0.000 2.442 337 Y HA 0.756 5.307 4.550 0.000 0.000 0.344 337 Y C -0.214 175.715 175.900 0.048 0.000 0.976 337 Y CA -1.462 56.660 58.100 0.036 0.000 1.040 337 Y CB 2.046 40.612 38.460 0.177 0.000 1.228 337 Y HN 0.662 nan 8.280 nan 0.000 0.451 338 A N 8.634 131.229 122.820 -0.375 0.000 2.664 338 A HA 0.460 4.780 4.320 0.000 0.000 0.338 338 A C -2.315 174.848 177.584 -0.702 0.000 1.280 338 A CA -1.529 50.281 52.037 -0.379 0.000 0.809 338 A CB 0.319 19.311 19.000 -0.013 0.000 1.114 338 A HN 0.602 nan 8.150 nan 0.000 0.479 339 P HA -0.171 nan 4.420 nan 0.000 0.225 339 P C 0.941 178.087 177.300 -0.257 0.000 1.148 339 P CA 1.086 63.797 63.100 -0.648 0.000 0.779 339 P CB 0.231 31.726 31.700 -0.341 0.000 0.780 340 K N 0.433 120.682 120.400 -0.252 0.000 2.360 340 K HA -0.065 4.255 4.320 0.000 0.000 0.201 340 K C 2.331 178.876 176.600 -0.091 0.000 1.046 340 K CA 1.442 57.629 56.287 -0.166 0.000 0.945 340 K CB -0.365 31.996 32.500 -0.231 0.000 0.750 340 K HN 0.258 nan 8.250 nan 0.000 0.464 341 S N 0.794 116.436 115.700 -0.095 0.000 2.383 341 S HA -0.182 4.288 4.470 0.000 0.000 0.229 341 S C 2.119 176.725 174.600 0.010 0.000 1.030 341 S CA 1.209 59.395 58.200 -0.024 0.000 1.002 341 S CB -0.153 63.052 63.200 0.007 0.000 0.829 341 S HN 0.330 nan 8.310 nan 0.000 0.467 342 A N 0.387 123.218 122.820 0.018 0.000 2.055 342 A HA 0.569 4.889 4.320 0.000 0.000 0.205 342 A C 1.992 179.603 177.584 0.044 0.000 1.235 342 A CA 0.073 52.139 52.037 0.048 0.000 0.822 342 A CB -0.111 18.939 19.000 0.084 0.000 0.903 342 A HN 0.455 nan 8.150 nan 0.000 0.473 343 L N -0.955 120.286 121.223 0.029 0.000 2.590 343 L HA 0.342 4.683 4.340 0.000 0.000 0.227 343 L C 1.285 178.177 176.870 0.036 0.000 1.099 343 L CA 0.379 55.244 54.840 0.041 0.000 0.872 343 L CB -0.113 41.973 42.059 0.046 0.000 1.088 343 L HN 0.565 nan 8.230 nan 0.000 0.479 344 G N 0.179 108.991 108.800 0.020 0.000 2.796 344 G HA2 -0.299 3.661 3.960 0.000 0.000 0.226 344 G HA3 -0.299 3.661 3.960 0.000 0.000 0.226 344 G C -0.705 174.246 174.900 0.084 0.000 1.381 344 G CA -0.541 44.595 45.100 0.060 0.000 0.867 344 G HN 0.274 nan 8.290 nan 0.000 0.552 345 H N 0.648 119.758 119.070 0.067 0.000 2.594 345 H HA 0.593 5.149 4.556 0.000 0.000 0.304 345 H C 1.376 176.753 175.328 0.081 0.000 1.068 345 H CA -0.031 56.014 56.048 -0.004 0.000 1.308 345 H CB 0.972 30.651 29.762 -0.139 0.000 1.409 345 H HN 0.798 nan 8.280 nan 0.000 0.460 346 S N 5.504 121.424 115.700 0.366 0.000 2.575 346 S HA 0.166 4.636 4.470 0.000 0.000 0.237 346 S C 1.204 175.911 174.600 0.180 0.000 0.975 346 S CA -0.417 57.914 58.200 0.217 0.000 0.960 346 S CB -0.182 63.092 63.200 0.123 0.000 0.822 346 S HN 0.565 nan 8.310 nan 0.000 0.472 347 I N 1.462 122.182 120.570 0.250 0.000 4.907 347 I HA -0.350 3.820 4.170 0.000 0.000 0.038 347 I C 2.144 178.318 176.117 0.094 0.000 0.635 347 I CA 1.763 63.085 61.300 0.038 0.000 0.207 347 I CB -2.203 35.748 38.000 -0.082 0.000 0.321 347 I HN 0.426 nan 8.210 nan 0.000 0.150 348 G N 0.216 109.045 108.800 0.048 0.000 2.527 348 G HA2 0.100 4.060 3.960 0.000 0.000 0.219 348 G HA3 0.100 4.060 3.960 0.000 0.000 0.219 348 G C 1.281 176.207 174.900 0.044 0.000 1.117 348 G CA 1.601 46.726 45.100 0.041 0.000 0.759 348 G HN 1.064 nan 8.290 nan 0.000 0.556 349 A N -0.729 122.125 122.820 0.057 0.000 2.229 349 A HA 0.454 4.774 4.320 0.000 0.000 0.211 349 A C 2.178 179.787 177.584 0.042 0.000 1.193 349 A CA 0.759 52.826 52.037 0.050 0.000 0.879 349 A CB 0.019 19.055 19.000 0.059 0.000 0.911 349 A HN 0.220 nan 8.150 nan 0.000 0.492 350 V N 0.241 120.185 119.914 0.049 0.000 2.427 350 V HA -0.117 4.003 4.120 0.000 0.000 0.248 350 V C 2.352 178.435 176.094 -0.018 0.000 1.051 350 V CA 2.383 64.687 62.300 0.007 0.000 1.048 350 V CB -0.548 31.248 31.823 -0.044 0.000 0.666 350 V HN 0.517 nan 8.190 nan 0.000 0.456 351 G N -1.291 107.505 108.800 -0.006 0.000 2.471 351 G HA2 -0.084 3.876 3.960 0.000 0.000 0.219 351 G HA3 -0.084 3.876 3.960 0.000 0.000 0.219 351 G C 1.613 176.509 174.900 -0.006 0.000 1.125 351 G CA 0.882 45.969 45.100 -0.020 0.000 0.775 351 G HN 0.682 nan 8.290 nan 0.000 0.548 352 A N 0.475 123.299 122.820 0.008 0.000 1.903 352 A HA 0.240 4.560 4.320 0.000 0.000 0.213 352 A C 2.246 179.828 177.584 -0.003 0.000 1.185 352 A CA 1.261 53.308 52.037 0.016 0.000 0.628 352 A CB -0.329 18.687 19.000 0.027 0.000 0.830 352 A HN 0.447 nan 8.150 nan 0.000 0.446 353 L N 0.097 121.320 121.223 -0.001 0.000 2.083 353 L HA -0.102 4.238 4.340 0.000 0.000 0.209 353 L C 1.866 178.722 176.870 -0.023 0.000 1.083 353 L CA 2.372 57.210 54.840 -0.003 0.000 0.752 353 L CB -0.401 41.667 42.059 0.015 0.000 0.899 353 L HN 0.477 nan 8.230 nan 0.000 0.433 354 E N -1.128 119.053 120.200 -0.032 0.000 2.371 354 E HA -0.054 4.296 4.350 0.000 0.000 0.194 354 E C 2.041 178.590 176.600 -0.084 0.000 1.012 354 E CA 0.730 57.108 56.400 -0.037 0.000 0.860 354 E CB 0.127 29.798 29.700 -0.048 0.000 0.811 354 E HN 0.495 nan 8.360 nan 0.000 0.502 355 S N 0.296 115.936 115.700 -0.101 0.000 2.387 355 S HA -0.092 4.378 4.470 0.000 0.000 0.226 355 S C 2.163 176.537 174.600 -0.378 0.000 1.026 355 S CA 0.604 58.676 58.200 -0.213 0.000 0.972 355 S CB 0.045 63.231 63.200 -0.023 0.000 0.814 355 S HN 0.069 nan 8.310 nan 0.000 0.477 356 V N 2.534 122.316 119.914 -0.220 0.000 2.407 356 V HA -0.141 3.979 4.120 0.000 0.000 0.248 356 V C 2.094 177.996 176.094 -0.320 0.000 1.055 356 V CA 1.438 63.594 62.300 -0.240 0.000 1.049 356 V CB -0.825 30.917 31.823 -0.135 0.000 0.662 356 V HN 0.440 nan 8.190 nan 0.000 0.455 357 L N -0.310 120.775 121.223 -0.231 0.000 2.156 357 L HA -0.106 4.234 4.340 0.000 0.000 0.208 357 L C 2.591 179.296 176.870 -0.275 0.000 1.095 357 L CA 1.593 56.296 54.840 -0.227 0.000 0.770 357 L CB -1.126 40.984 42.059 0.085 0.000 0.914 357 L HN 0.359 nan 8.230 nan 0.000 0.439 358 T N -0.251 114.153 114.554 -0.249 0.000 2.708 358 T HA -0.138 4.212 4.350 0.000 0.000 0.266 358 T C 2.090 176.565 174.700 -0.375 0.000 1.037 358 T CA 1.179 63.135 62.100 -0.240 0.000 1.146 358 T CB -0.282 68.397 68.868 -0.316 0.000 0.865 358 T HN 0.039 nan 8.240 nan 0.000 0.435 359 V N 1.748 121.330 119.914 -0.554 0.000 2.255 359 V HA -0.135 3.986 4.120 0.000 0.000 0.247 359 V C 2.512 178.374 176.094 -0.388 0.000 1.051 359 V CA 1.554 63.592 62.300 -0.437 0.000 1.018 359 V CB -0.696 30.880 31.823 -0.411 0.000 0.641 359 V HN 0.454 nan 8.190 nan 0.000 0.445 360 L N -0.465 120.407 121.223 -0.586 0.000 2.265 360 L HA -0.150 4.190 4.340 0.000 0.000 0.215 360 L C 2.473 178.894 176.870 -0.749 0.000 1.117 360 L CA 1.507 55.822 54.840 -0.875 0.000 0.782 360 L CB -0.836 40.230 42.059 -1.654 0.000 0.914 360 L HN 0.413 nan 8.230 nan 0.000 0.441 361 T N 0.062 114.301 114.554 -0.525 0.000 2.809 361 T HA -0.065 4.285 4.350 0.000 0.000 0.260 361 T C 1.991 176.644 174.700 -0.079 0.000 1.039 361 T CA 0.906 62.879 62.100 -0.211 0.000 1.141 361 T CB -0.105 68.582 68.868 -0.301 0.000 0.869 361 T HN 0.172 nan 8.240 nan 0.000 0.437 362 L N 0.687 121.858 121.223 -0.087 0.000 2.017 362 L HA -0.074 4.266 4.340 0.000 0.000 0.208 362 L C 2.881 179.762 176.870 0.018 0.000 1.073 362 L CA 1.364 56.212 54.840 0.013 0.000 0.745 362 L CB -0.548 41.526 42.059 0.025 0.000 0.894 362 L HN 0.162 nan 8.230 nan 0.000 0.432 363 R N 0.349 120.827 120.500 -0.036 0.000 2.082 363 R HA -0.202 4.138 4.340 0.000 0.000 0.234 363 R C 1.666 177.986 176.300 0.033 0.000 1.136 363 R CA 2.283 58.375 56.100 -0.013 0.000 0.935 363 R CB -0.171 30.084 30.300 -0.075 0.000 0.842 363 R HN 0.300 nan 8.270 nan 0.000 0.430 364 D N -1.472 118.960 120.400 0.055 0.000 2.333 364 D HA 0.086 4.726 4.640 0.000 0.000 0.208 364 D C 0.839 177.231 176.300 0.154 0.000 0.984 364 D CA 1.138 55.225 54.000 0.145 0.000 0.873 364 D CB 0.387 41.364 40.800 0.294 0.000 0.935 364 D HN 0.594 nan 8.370 nan 0.000 0.521 365 G N 0.746 109.636 108.800 0.150 0.000 2.176 365 G HA2 -0.203 3.757 3.960 0.000 0.000 0.252 365 G HA3 -0.203 3.757 3.960 0.000 0.000 0.252 365 G C 0.061 175.077 174.900 0.194 0.000 1.024 365 G CA 0.539 45.736 45.100 0.163 0.000 0.755 365 G HN 0.441 nan 8.290 nan 0.000 0.507 366 V N 0.128 120.140 119.914 0.163 0.000 2.808 366 V HA 0.777 4.897 4.120 0.000 0.000 0.308 366 V C -0.406 175.598 176.094 -0.149 0.000 1.099 366 V CA -1.263 60.967 62.300 -0.117 0.000 0.920 366 V CB 1.819 33.268 31.823 -0.624 0.000 1.014 366 V HN 0.352 nan 8.190 nan 0.000 0.425 367 I N 7.770 128.159 120.570 -0.302 0.000 2.377 367 I HA 0.497 4.667 4.170 0.000 0.000 0.293 367 I C -2.355 173.444 176.117 -0.529 0.000 0.987 367 I CA -2.228 58.782 61.300 -0.482 0.000 1.185 367 I CB 2.225 39.893 38.000 -0.553 0.000 1.341 367 I HN 0.477 nan 8.210 nan 0.000 0.455 368 P HA 0.166 nan 4.420 nan 0.000 0.272 368 P C -2.531 174.530 177.300 -0.398 0.000 1.230 368 P CA -1.351 61.370 63.100 -0.632 0.000 0.788 368 P CB -0.222 31.049 31.700 -0.715 0.000 0.949 369 P HA 0.026 nan 4.420 nan 0.000 0.271 369 P C -0.526 176.884 177.300 0.183 0.000 1.216 369 P CA 0.302 63.405 63.100 0.004 0.000 0.776 369 P CB 0.029 31.737 31.700 0.013 0.000 0.881 370 T N 4.112 118.796 114.554 0.216 0.000 2.727 370 T HA 0.233 4.583 4.350 0.000 0.000 0.295 370 T C 0.709 175.515 174.700 0.177 0.000 0.915 370 T CA -0.280 61.954 62.100 0.222 0.000 1.066 370 T CB -0.267 68.659 68.868 0.096 0.000 0.891 370 T HN 0.177 nan 8.240 nan 0.000 0.516 371 L N 3.967 125.279 121.223 0.148 0.000 2.467 371 L HA 0.146 4.487 4.340 0.000 0.000 0.270 371 L C 0.980 177.931 176.870 0.134 0.000 1.205 371 L CA -0.403 54.509 54.840 0.120 0.000 0.828 371 L CB 0.085 42.196 42.059 0.085 0.000 1.101 371 L HN 0.736 nan 8.230 nan 0.000 0.479 372 N N 0.066 118.836 118.700 0.116 0.000 2.815 372 N HA -0.304 4.436 4.740 0.000 0.000 0.247 372 N C -0.210 175.386 175.510 0.143 0.000 1.030 372 N CA 0.959 54.070 53.050 0.101 0.000 0.881 372 N CB -1.549 36.981 38.487 0.071 0.000 1.134 372 N HN 0.611 nan 8.380 nan 0.000 0.582 373 Y N 1.946 122.282 120.300 0.059 0.000 2.570 373 Y HA 0.181 4.731 4.550 0.000 0.000 0.336 373 Y C 1.352 177.285 175.900 0.055 0.000 1.284 373 Y CA 0.180 58.323 58.100 0.072 0.000 1.761 373 Y CB -0.187 38.329 38.460 0.093 0.000 1.724 373 Y HN 0.082 nan 8.280 nan 0.000 0.455 374 E N 0.718 120.830 120.200 -0.146 0.000 2.110 374 E HA 0.094 4.444 4.350 0.000 0.000 0.193 374 E C -0.030 176.434 176.600 -0.228 0.000 0.950 374 E CA 0.696 57.013 56.400 -0.138 0.000 0.840 374 E CB 0.490 30.158 29.700 -0.052 0.000 0.809 374 E HN 0.283 nan 8.360 nan 0.000 0.465 375 T N 4.008 118.426 114.554 -0.226 0.000 2.963 375 T HA 0.261 4.611 4.350 0.000 0.000 0.343 375 T C -2.608 171.950 174.700 -0.238 0.000 1.146 375 T CA -1.520 60.462 62.100 -0.197 0.000 1.016 375 T CB 1.302 70.112 68.868 -0.098 0.000 1.046 375 T HN -0.021 nan 8.240 nan 0.000 0.496 376 P HA 0.016 nan 4.420 nan 0.000 0.270 376 P C -0.478 176.801 177.300 -0.036 0.000 1.221 376 P CA -0.154 62.814 63.100 -0.220 0.000 0.788 376 P CB 0.807 32.426 31.700 -0.135 0.000 0.904 377 D N 1.100 121.538 120.400 0.063 0.000 2.280 377 D HA 0.136 4.777 4.640 0.000 0.000 0.236 377 D C -1.250 175.086 176.300 0.061 0.000 1.082 377 D CA -2.215 51.824 54.000 0.065 0.000 0.834 377 D CB 1.260 42.124 40.800 0.106 0.000 1.100 377 D HN 0.146 nan 8.370 nan 0.000 0.486 378 P HA -0.116 nan 4.420 nan 0.000 0.221 378 P C 0.407 177.727 177.300 0.035 0.000 1.145 378 P CA 0.937 64.055 63.100 0.029 0.000 0.795 378 P CB 0.573 32.284 31.700 0.018 0.000 0.775 379 E N -1.212 119.014 120.200 0.043 0.000 2.465 379 E HA 0.148 4.498 4.350 0.000 0.000 0.195 379 E C 1.562 178.197 176.600 0.058 0.000 1.028 379 E CA -0.160 56.264 56.400 0.041 0.000 0.899 379 E CB 0.246 29.966 29.700 0.033 0.000 1.032 379 E HN 0.333 nan 8.360 nan 0.000 0.468 380 I N 0.079 120.696 120.570 0.079 0.000 3.098 380 I HA -0.015 4.155 4.170 0.000 0.000 0.241 380 I C 0.429 176.574 176.117 0.046 0.000 1.081 380 I CA 0.462 61.824 61.300 0.102 0.000 1.487 380 I CB -0.332 37.781 38.000 0.189 0.000 1.366 380 I HN -0.001 nan 8.210 nan 0.000 0.463 381 D N 1.688 122.113 120.400 0.042 0.000 2.872 381 D HA -0.151 4.489 4.640 0.000 0.000 0.248 381 D C -0.894 175.391 176.300 -0.026 0.000 1.104 381 D CA 0.438 54.448 54.000 0.017 0.000 0.784 381 D CB -1.119 39.690 40.800 0.015 0.000 1.036 381 D HN 0.138 nan 8.370 nan 0.000 0.426 382 L N 0.314 121.498 121.223 -0.065 0.000 2.350 382 L HA 0.441 4.781 4.340 0.000 0.000 0.260 382 L C 0.504 177.304 176.870 -0.117 0.000 1.015 382 L CA -1.089 53.665 54.840 -0.143 0.000 0.821 382 L CB 1.561 43.419 42.059 -0.336 0.000 1.370 382 L HN -0.133 nan 8.230 nan 0.000 0.416 383 D N 1.798 122.134 120.400 -0.107 0.000 2.508 383 D HA 0.162 4.802 4.640 0.000 0.000 0.224 383 D C -0.769 175.454 176.300 -0.128 0.000 1.171 383 D CA -0.012 53.948 54.000 -0.067 0.000 1.006 383 D CB 0.454 41.242 40.800 -0.020 0.000 1.073 383 D HN 0.078 nan 8.370 nan 0.000 0.513 384 V N 4.019 123.802 119.914 -0.218 0.000 2.353 384 V HA 0.073 4.193 4.120 0.000 0.000 0.264 384 V C 0.836 176.794 176.094 -0.227 0.000 1.049 384 V CA -0.881 61.182 62.300 -0.394 0.000 0.896 384 V CB 1.314 32.507 31.823 -1.051 0.000 1.025 384 V HN 0.157 nan 8.190 nan 0.000 0.475 385 V N 5.665 125.522 119.914 -0.096 0.000 2.452 385 V HA 0.372 4.492 4.120 0.000 0.000 0.286 385 V C 0.727 176.819 176.094 -0.003 0.000 0.995 385 V CA 0.913 63.198 62.300 -0.024 0.000 1.116 385 V CB -0.027 31.783 31.823 -0.022 0.000 0.954 385 V HN 1.053 nan 8.190 nan 0.000 0.473 386 A N 4.098 126.948 122.820 0.049 0.000 2.569 386 A HA 0.868 5.188 4.320 0.000 0.000 0.290 386 A C 0.986 178.629 177.584 0.098 0.000 1.136 386 A CA 0.118 52.225 52.037 0.116 0.000 0.710 386 A CB 1.484 20.654 19.000 0.283 0.000 1.303 386 A HN 1.680 nan 8.150 nan 0.000 0.413 387 G N -0.332 108.526 108.800 0.097 0.000 3.548 387 G HA2 -0.223 3.737 3.960 0.000 0.000 0.224 387 G HA3 -0.223 3.737 3.960 0.000 0.000 0.224 387 G C 0.255 175.178 174.900 0.039 0.000 1.351 387 G CA 0.991 46.131 45.100 0.067 0.000 0.905 387 G HN 1.002 nan 8.290 nan 0.000 0.561 388 E N 0.909 121.127 120.200 0.030 0.000 2.369 388 E HA 0.493 4.843 4.350 0.000 0.000 0.270 388 E C -2.826 173.761 176.600 -0.021 0.000 0.909 388 E CA -2.126 54.282 56.400 0.014 0.000 0.775 388 E CB 2.792 32.514 29.700 0.037 0.000 1.270 388 E HN 0.131 nan 8.360 nan 0.000 0.445 389 P HA 0.046 nan 4.420 nan 0.000 0.268 389 P C -0.960 176.278 177.300 -0.104 0.000 1.205 389 P CA 0.116 63.113 63.100 -0.171 0.000 0.771 389 P CB 0.427 31.967 31.700 -0.265 0.000 0.858 390 R N 3.415 123.830 120.500 -0.142 0.000 2.215 390 R HA 0.272 4.612 4.340 0.000 0.000 0.336 390 R C -0.797 175.481 176.300 -0.036 0.000 0.996 390 R CA -0.572 55.525 56.100 -0.005 0.000 0.847 390 R CB 0.029 30.366 30.300 0.061 0.000 1.127 390 R HN 0.429 nan 8.270 nan 0.000 0.465 391 Y N 2.626 122.947 120.300 0.035 0.000 2.480 391 Y HA 0.383 4.933 4.550 0.000 0.000 0.341 391 Y C 1.105 176.941 175.900 -0.106 0.000 1.031 391 Y CA 0.532 58.632 58.100 -0.000 0.000 1.295 391 Y CB 1.633 40.075 38.460 -0.029 0.000 1.162 391 Y HN 0.728 nan 8.280 nan 0.000 0.523 392 G N 1.393 110.030 108.800 -0.271 0.000 2.766 392 G HA2 0.272 4.232 3.960 0.000 0.000 0.288 392 G HA3 0.272 4.232 3.960 0.000 0.000 0.288 392 G C -1.536 172.834 174.900 -0.884 0.000 1.408 392 G CA -0.820 43.829 45.100 -0.751 0.000 0.852 392 G HN 0.410 nan 8.290 nan 0.000 0.487 393 D N -0.185 119.796 120.400 -0.698 0.000 3.139 393 D HA 0.271 4.911 4.640 0.000 0.000 0.268 393 D C -0.641 175.445 176.300 -0.357 0.000 1.322 393 D CA -0.569 53.187 54.000 -0.407 0.000 0.940 393 D CB -0.545 40.127 40.800 -0.213 0.000 1.050 393 D HN 0.187 nan 8.370 nan 0.000 0.503 394 Y N 0.441 120.711 120.300 -0.049 0.000 2.496 394 Y HA 0.249 4.799 4.550 0.000 0.000 0.334 394 Y C 1.747 177.578 175.900 -0.116 0.000 1.080 394 Y CA -0.227 57.839 58.100 -0.057 0.000 1.355 394 Y CB 0.687 39.114 38.460 -0.056 0.000 1.193 394 Y HN 0.047 nan 8.280 nan 0.000 0.523 395 R N 1.609 122.064 120.500 -0.074 0.000 2.164 395 R HA 0.186 4.526 4.340 0.000 0.000 0.198 395 R C -0.747 175.205 176.300 -0.580 0.000 1.028 395 R CA 0.357 56.203 56.100 -0.424 0.000 1.083 395 R CB 0.386 30.283 30.300 -0.672 0.000 1.026 395 R HN 0.542 nan 8.270 nan 0.000 0.514 396 Y N -0.688 119.688 120.300 0.127 0.000 2.576 396 Y HA 0.749 5.299 4.550 0.000 0.000 0.346 396 Y C -0.391 175.592 175.900 0.139 0.000 1.018 396 Y CA -1.485 56.684 58.100 0.115 0.000 1.050 396 Y CB 2.045 40.548 38.460 0.071 0.000 1.280 396 Y HN -0.029 nan 8.280 nan 0.000 0.474 397 A N 0.481 123.479 122.820 0.297 0.000 2.612 397 A HA 0.820 5.140 4.320 0.000 0.000 0.293 397 A C -2.133 175.541 177.584 0.150 0.000 1.075 397 A CA -0.747 51.411 52.037 0.202 0.000 0.680 397 A CB 1.310 20.457 19.000 0.244 0.000 1.279 397 A HN 0.480 nan 8.150 nan 0.000 0.411 398 V N 1.621 121.566 119.914 0.051 0.000 2.540 398 V HA 0.486 4.606 4.120 0.000 0.000 0.302 398 V C -0.446 175.646 176.094 -0.003 0.000 1.035 398 V CA -0.655 61.663 62.300 0.029 0.000 0.873 398 V CB 1.818 33.638 31.823 -0.005 0.000 0.992 398 V HN 0.888 nan 8.190 nan 0.000 0.428 399 N N 4.180 122.903 118.700 0.039 0.000 2.476 399 N HA 0.346 5.086 4.740 0.000 0.000 0.257 399 N C -0.664 174.801 175.510 -0.076 0.000 0.970 399 N CA -0.370 52.680 53.050 -0.000 0.000 0.938 399 N CB 0.737 39.268 38.487 0.074 0.000 1.144 399 N HN 0.615 nan 8.380 nan 0.000 0.500 400 N N 1.479 120.097 118.700 -0.136 0.000 2.498 400 N HA 0.396 5.136 4.740 0.000 0.000 0.287 400 N C -1.093 174.082 175.510 -0.558 0.000 1.097 400 N CA -0.170 52.669 53.050 -0.351 0.000 0.973 400 N CB 1.491 39.833 38.487 -0.243 0.000 1.153 400 N HN 0.383 nan 8.380 nan 0.000 0.472 401 S N 0.751 115.894 115.700 -0.928 0.000 2.540 401 S HA 0.689 5.159 4.470 0.000 0.000 0.275 401 S C -1.475 172.337 174.600 -1.312 0.000 1.123 401 S CA -0.585 57.034 58.200 -0.968 0.000 0.907 401 S CB 0.761 63.719 63.200 -0.404 0.000 1.081 401 S HN 0.332 nan 8.310 nan 0.000 0.476 402 F N 0.665 120.135 119.950 -0.799 0.000 2.569 402 F HA 0.737 5.264 4.527 0.000 0.000 0.312 402 F C 0.629 176.284 175.800 -0.241 0.000 1.109 402 F CA -0.749 57.012 58.000 -0.399 0.000 0.919 402 F CB 1.868 40.690 39.000 -0.298 0.000 1.211 402 F HN 0.666 nan 8.300 nan 0.000 0.446 403 G N 1.103 110.011 108.800 0.181 0.000 2.511 403 G HA2 0.618 4.579 3.960 0.000 0.000 0.318 403 G HA3 0.618 4.579 3.960 0.000 0.000 0.318 403 G C -1.358 173.757 174.900 0.357 0.000 1.210 403 G CA -0.648 44.574 45.100 0.204 0.000 0.969 403 G HN 0.255 nan 8.290 nan 0.000 0.484 404 F N 0.301 120.382 119.950 0.217 0.000 2.563 404 F HA 0.435 4.962 4.527 0.000 0.000 0.363 404 F C 1.583 177.466 175.800 0.138 0.000 1.123 404 F CA 0.611 58.709 58.000 0.164 0.000 1.307 404 F CB 1.110 40.206 39.000 0.161 0.000 1.115 404 F HN 0.917 nan 8.300 nan 0.000 0.592 405 G N 0.595 109.497 108.800 0.169 0.000 2.218 405 G HA2 0.083 4.043 3.960 0.000 0.000 0.216 405 G HA3 0.083 4.043 3.960 0.000 0.000 0.216 405 G C 0.802 175.443 174.900 -0.433 0.000 0.994 405 G CA 0.066 45.088 45.100 -0.130 0.000 0.637 405 G HN 1.849 nan 8.290 nan 0.000 0.505 406 G N -0.198 108.465 108.800 -0.228 0.000 2.164 406 G HA2 -0.140 3.820 3.960 0.000 0.000 0.212 406 G HA3 -0.140 3.820 3.960 0.000 0.000 0.212 406 G C -0.082 174.731 174.900 -0.145 0.000 1.031 406 G CA 0.498 45.528 45.100 -0.117 0.000 0.730 406 G HN 1.308 nan 8.290 nan 0.000 0.501 407 H N 0.583 119.749 119.070 0.159 0.000 2.502 407 H HA 0.450 5.006 4.556 0.000 0.000 0.327 407 H C -0.103 175.321 175.328 0.161 0.000 1.099 407 H CA -0.349 55.776 56.048 0.128 0.000 1.323 407 H CB 0.989 30.807 29.762 0.093 0.000 1.450 407 H HN 0.250 nan 8.280 nan 0.000 0.502 408 N N 2.597 121.449 118.700 0.254 0.000 2.504 408 N HA 0.204 4.944 4.740 0.000 0.000 0.280 408 N C -0.968 174.586 175.510 0.074 0.000 1.052 408 N CA -0.389 52.806 53.050 0.241 0.000 0.887 408 N CB 2.762 41.420 38.487 0.286 0.000 1.323 408 N HN 0.201 nan 8.380 nan 0.000 0.509 409 V N 0.909 120.774 119.914 -0.081 0.000 2.444 409 V HA 0.785 4.905 4.120 0.000 0.000 0.294 409 V C -0.151 175.836 176.094 -0.178 0.000 1.022 409 V CA -0.852 61.382 62.300 -0.109 0.000 0.850 409 V CB 1.403 33.164 31.823 -0.103 0.000 0.992 409 V HN 0.735 nan 8.190 nan 0.000 0.426 410 A N 5.862 128.610 122.820 -0.120 0.000 2.355 410 A HA 0.940 5.260 4.320 0.000 0.000 0.317 410 A C -1.061 176.438 177.584 -0.141 0.000 1.094 410 A CA -0.554 51.410 52.037 -0.120 0.000 0.764 410 A CB 1.190 20.148 19.000 -0.070 0.000 1.230 410 A HN 0.797 nan 8.150 nan 0.000 0.448 411 L N 1.941 123.093 121.223 -0.119 0.000 2.356 411 L HA 0.655 4.996 4.340 0.000 0.000 0.277 411 L C 0.332 177.090 176.870 -0.187 0.000 0.996 411 L CA -0.614 54.104 54.840 -0.204 0.000 0.822 411 L CB 2.044 44.041 42.059 -0.103 0.000 1.256 411 L HN 0.810 nan 8.230 nan 0.000 0.413 412 A N 3.908 126.505 122.820 -0.372 0.000 2.252 412 A HA 0.722 5.042 4.320 0.000 0.000 0.309 412 A C -1.042 176.313 177.584 -0.381 0.000 1.285 412 A CA -0.128 51.755 52.037 -0.257 0.000 0.900 412 A CB 0.009 18.857 19.000 -0.253 0.000 1.157 412 A HN 0.499 nan 8.150 nan 0.000 0.536 413 F N 1.329 121.260 119.950 -0.031 0.000 2.492 413 F HA 0.660 5.187 4.527 0.000 0.000 0.327 413 F C 0.886 176.758 175.800 0.120 0.000 1.079 413 F CA -0.122 57.886 58.000 0.013 0.000 0.967 413 F CB 2.645 41.648 39.000 0.005 0.000 1.169 413 F HN 0.673 nan 8.300 nan 0.000 0.472 414 G N 1.563 110.554 108.800 0.319 0.000 2.524 414 G HA2 0.436 4.396 3.960 0.000 0.000 0.310 414 G HA3 0.436 4.396 3.960 0.000 0.000 0.310 414 G C -1.465 173.545 174.900 0.184 0.000 1.279 414 G CA -1.022 44.264 45.100 0.309 0.000 0.974 414 G HN 0.599 nan 8.290 nan 0.000 0.484 415 R N 1.196 121.726 120.500 0.050 0.000 2.458 415 R HA 0.080 4.420 4.340 0.000 0.000 0.303 415 R C -0.120 176.223 176.300 0.072 0.000 1.013 415 R CA -0.379 55.745 56.100 0.041 0.000 1.026 415 R CB 0.119 30.391 30.300 -0.046 0.000 0.948 415 R HN 0.639 nan 8.270 nan 0.000 0.417 416 Y N 0.000 120.317 120.300 0.028 0.000 2.660 416 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 416 Y CA 0.000 58.121 58.100 0.035 0.000 1.940 416 Y CB 0.000 38.478 38.460 0.030 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758