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 2nyk_1_A DATA FIRST_RESID 8 DATA SEQUENCE DTYIVNMDDF QFTFTMEFEV TVTRGGVHKR TISVDNGRPV VVWDVXXRDP DATA SEQUENCE KICKICPDVS STDIEYVFLD IQKMRLNNLL TQSLWDTQRI CVRYAcLFLG DATA SEQUENCE FDVIcDVYHT TDTVRVAYTG QTGKXXXXXX XXXXXXXXXE IGTYMIKSNV DATA SEQUENCE REIKNRWRST VQKLKQLAYM NATEVEFWYN XXXLTTcVVT SRSNVPFTVE DATA SEQUENCE LSLXXXXSAI VTDESTVDCQ ILTVKAPGSH AQRcYVTSSL GWKGVVTPPS DATA SEQUENCE QYRTKRVPVN I 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 8 D HA 0.000 nan 4.640 nan 0.000 0.175 8 D C 0.000 176.341 176.300 0.068 0.000 2.045 8 D CA 0.000 54.036 54.000 0.060 0.000 0.868 8 D CB 0.000 40.855 40.800 0.091 0.000 0.688 9 T N -1.298 113.303 114.554 0.079 0.000 2.685 9 T HA -0.307 4.045 4.350 0.004 0.000 0.268 9 T C 1.550 176.324 174.700 0.124 0.000 1.034 9 T CA 2.326 64.476 62.100 0.085 0.000 1.149 9 T CB -0.667 68.248 68.868 0.078 0.000 0.860 9 T HN 0.420 nan 8.240 nan 0.000 0.449 10 Y N 1.507 121.825 120.300 0.029 0.000 2.081 10 Y HA -0.096 4.456 4.550 0.004 0.000 0.280 10 Y C 2.027 177.951 175.900 0.040 0.000 1.163 10 Y CA 1.512 59.631 58.100 0.032 0.000 1.135 10 Y CB -0.722 37.751 38.460 0.021 0.000 0.970 10 Y HN 0.363 nan 8.280 nan 0.000 0.498 11 I N -0.937 119.465 120.570 -0.281 0.000 2.315 11 I HA -0.259 3.914 4.170 0.004 0.000 0.248 11 I C 2.292 178.319 176.117 -0.149 0.000 1.117 11 I CA 1.081 62.175 61.300 -0.344 0.000 1.404 11 I CB -0.558 37.332 38.000 -0.184 0.000 1.071 11 I HN 0.096 nan 8.210 nan 0.000 0.419 12 V N 1.318 121.201 119.914 -0.051 0.000 2.332 12 V HA -0.330 3.792 4.120 0.004 0.000 0.248 12 V C 2.011 178.135 176.094 0.049 0.000 1.055 12 V CA 2.372 64.673 62.300 0.003 0.000 1.038 12 V CB -1.058 30.777 31.823 0.021 0.000 0.651 12 V HN 0.497 nan 8.190 nan 0.000 0.450 13 N N -0.343 118.392 118.700 0.058 0.000 2.084 13 N HA -0.180 4.562 4.740 0.004 0.000 0.190 13 N C 1.923 177.518 175.510 0.142 0.000 1.030 13 N CA 1.572 54.707 53.050 0.141 0.000 0.849 13 N CB -0.211 38.364 38.487 0.147 0.000 1.012 13 N HN 0.401 nan 8.380 nan 0.000 0.423 14 M N 0.592 120.194 119.600 0.004 0.000 2.117 14 M HA -0.138 4.344 4.480 0.004 0.000 0.262 14 M C 1.040 177.390 176.300 0.083 0.000 1.065 14 M CA 1.266 56.563 55.300 -0.005 0.000 1.114 14 M CB -0.232 32.281 32.600 -0.147 0.000 1.361 14 M HN 0.105 nan 8.290 nan 0.000 0.408 15 D N 0.555 120.989 120.400 0.057 0.000 2.178 15 D HA -0.129 4.513 4.640 0.004 0.000 0.202 15 D C 1.496 177.907 176.300 0.184 0.000 0.974 15 D CA 1.122 55.178 54.000 0.094 0.000 0.841 15 D CB -0.408 40.408 40.800 0.026 0.000 0.953 15 D HN 0.291 nan 8.370 nan 0.000 0.478 16 D N -0.116 120.415 120.400 0.219 0.000 2.117 16 D HA -0.134 4.509 4.640 0.004 0.000 0.197 16 D C 1.771 178.282 176.300 0.351 0.000 0.987 16 D CA 0.420 54.619 54.000 0.331 0.000 0.829 16 D CB -0.431 40.596 40.800 0.378 0.000 0.961 16 D HN 0.192 nan 8.370 nan 0.000 0.460 17 F N 1.118 121.092 119.950 0.039 0.000 2.113 17 F HA -0.178 4.352 4.527 0.004 0.000 0.297 17 F C 2.383 178.106 175.800 -0.128 0.000 1.103 17 F CA 1.243 59.019 58.000 -0.373 0.000 1.248 17 F CB -0.043 38.584 39.000 -0.623 0.000 0.999 17 F HN -0.181 nan 8.300 nan 0.000 0.475 18 Q N -0.040 119.835 119.800 0.125 0.000 2.172 18 Q HA -0.066 4.276 4.340 0.004 0.000 0.200 18 Q C 0.144 176.204 176.000 0.099 0.000 0.964 18 Q CA 0.641 56.499 55.803 0.090 0.000 0.855 18 Q CB -0.504 28.335 28.738 0.168 0.000 0.918 18 Q HN 0.330 nan 8.270 nan 0.000 0.444 19 F N 1.301 121.277 119.950 0.044 0.000 2.502 19 F HA 0.222 4.751 4.527 0.003 0.000 0.371 19 F C -0.396 175.513 175.800 0.181 0.000 1.083 19 F CA -0.012 58.060 58.000 0.120 0.000 1.174 19 F CB 0.486 39.581 39.000 0.159 0.000 1.096 19 F HN -0.245 nan 8.300 nan 0.000 0.545 20 T N 8.205 122.496 114.554 -0.439 0.000 2.845 20 T HA 0.594 4.946 4.350 0.004 0.000 0.288 20 T C -0.849 173.594 174.700 -0.430 0.000 0.980 20 T CA -0.012 61.875 62.100 -0.355 0.000 1.071 20 T CB 0.583 69.317 68.868 -0.224 0.000 0.941 20 T HN 0.501 nan 8.240 nan 0.000 0.487 21 F N -0.733 119.027 119.950 -0.318 0.000 2.807 21 F HA 0.686 5.215 4.527 0.004 0.000 0.316 21 F C -0.707 175.098 175.800 0.008 0.000 1.162 21 F CA -1.310 56.579 58.000 -0.186 0.000 0.910 21 F CB 0.928 39.826 39.000 -0.169 0.000 1.314 21 F HN 0.566 nan 8.300 nan 0.000 0.454 22 T N 0.108 114.744 114.554 0.138 0.000 2.912 22 T HA 0.717 5.070 4.350 0.004 0.000 0.288 22 T C -1.069 173.703 174.700 0.119 0.000 1.030 22 T CA -0.670 61.407 62.100 -0.039 0.000 1.020 22 T CB 1.969 70.795 68.868 -0.069 0.000 1.056 22 T HN 1.075 nan 8.240 nan 0.000 0.480 23 M N 1.772 121.340 119.600 -0.054 0.000 2.393 23 M HA 0.597 5.080 4.480 0.004 0.000 0.299 23 M C -1.889 174.199 176.300 -0.354 0.000 1.103 23 M CA -0.467 54.722 55.300 -0.185 0.000 0.910 23 M CB 2.083 34.603 32.600 -0.134 0.000 1.659 23 M HN 0.718 nan 8.290 nan 0.000 0.445 24 E N 3.764 123.719 120.200 -0.409 0.000 2.191 24 E HA 0.461 4.813 4.350 0.004 0.000 0.263 24 E C -1.785 174.635 176.600 -0.300 0.000 0.881 24 E CA -0.087 56.182 56.400 -0.217 0.000 0.757 24 E CB 1.284 30.939 29.700 -0.074 0.000 1.147 24 E HN 0.413 nan 8.360 nan 0.000 0.414 25 F N 1.522 121.550 119.950 0.130 0.000 2.427 25 F HA 0.428 4.957 4.527 0.003 0.000 0.346 25 F C 0.484 176.420 175.800 0.228 0.000 1.120 25 F CA -0.725 57.387 58.000 0.186 0.000 1.033 25 F CB 1.491 40.637 39.000 0.243 0.000 1.126 25 F HN 0.314 nan 8.300 nan 0.000 0.462 26 E N 2.561 122.957 120.200 0.326 0.000 2.272 26 E HA 0.744 5.096 4.350 0.004 0.000 0.269 26 E C -1.977 174.730 176.600 0.178 0.000 0.877 26 E CA -0.708 55.829 56.400 0.228 0.000 0.755 26 E CB 2.257 32.045 29.700 0.146 0.000 1.192 26 E HN 0.441 nan 8.360 nan 0.000 0.422 27 V N 2.886 122.875 119.914 0.124 0.000 2.686 27 V HA 0.465 4.587 4.120 0.004 0.000 0.306 27 V C -0.672 175.458 176.094 0.060 0.000 1.065 27 V CA -0.678 61.665 62.300 0.072 0.000 0.894 27 V CB 2.205 34.026 31.823 -0.003 0.000 1.004 27 V HN 0.777 nan 8.190 nan 0.000 0.424 28 T N 3.767 118.364 114.554 0.072 0.000 2.824 28 T HA 0.677 5.029 4.350 0.004 0.000 0.282 28 T C -0.702 174.047 174.700 0.082 0.000 0.993 28 T CA -0.444 61.696 62.100 0.066 0.000 0.967 28 T CB 1.790 70.698 68.868 0.066 0.000 0.960 28 T HN 0.359 nan 8.240 nan 0.000 0.441 29 V N 3.452 123.402 119.914 0.060 0.000 2.540 29 V HA 0.622 4.744 4.120 0.004 0.000 0.302 29 V C -0.092 176.029 176.094 0.046 0.000 1.035 29 V CA -0.618 61.723 62.300 0.068 0.000 0.873 29 V CB 2.205 34.048 31.823 0.032 0.000 0.992 29 V HN 1.011 nan 8.190 nan 0.000 0.428 30 T N 4.319 118.904 114.554 0.051 0.000 2.887 30 T HA 0.466 4.818 4.350 0.004 0.000 0.288 30 T C -0.159 174.559 174.700 0.029 0.000 1.021 30 T CA -0.825 61.294 62.100 0.031 0.000 1.000 30 T CB 1.404 70.288 68.868 0.026 0.000 1.034 30 T HN 0.442 nan 8.240 nan 0.000 0.467 31 R N 1.532 122.045 120.500 0.022 0.000 2.458 31 R HA 0.360 4.703 4.340 0.004 0.000 0.303 31 R C 1.191 177.509 176.300 0.030 0.000 1.013 31 R CA 0.748 56.865 56.100 0.028 0.000 1.026 31 R CB -0.115 30.206 30.300 0.036 0.000 0.948 31 R HN 1.162 nan 8.270 nan 0.000 0.417 32 G N 0.971 109.790 108.800 0.031 0.000 2.164 32 G HA2 -0.167 3.795 3.960 0.004 0.000 0.154 32 G HA3 -0.167 3.795 3.960 0.004 0.000 0.154 32 G C 0.696 175.608 174.900 0.020 0.000 1.014 32 G CA -0.004 45.111 45.100 0.026 0.000 0.683 32 G HN 1.006 nan 8.290 nan 0.000 0.500 33 G N -1.781 107.037 108.800 0.030 0.000 2.179 33 G HA2 -0.066 3.896 3.960 0.004 0.000 0.260 33 G HA3 -0.066 3.896 3.960 0.004 0.000 0.260 33 G C 0.480 175.370 174.900 -0.017 0.000 0.977 33 G CA 0.639 45.760 45.100 0.034 0.000 0.641 33 G HN 1.626 nan 8.290 nan 0.000 0.533 34 V N 2.906 122.804 119.914 -0.026 0.000 2.389 34 V HA 0.574 4.696 4.120 0.004 0.000 0.264 34 V C 0.579 176.657 176.094 -0.028 0.000 1.049 34 V CA 0.183 62.433 62.300 -0.082 0.000 0.932 34 V CB 0.193 31.992 31.823 -0.039 0.000 1.011 34 V HN 0.694 nan 8.190 nan 0.000 0.475 35 H N 2.753 121.843 119.070 0.033 0.000 2.771 35 H HA 0.900 5.458 4.556 0.004 0.000 0.367 35 H C -0.707 174.656 175.328 0.058 0.000 1.172 35 H CA -1.413 54.655 56.048 0.033 0.000 1.186 35 H CB 1.760 31.532 29.762 0.016 0.000 1.790 35 H HN 0.454 nan 8.280 nan 0.000 0.556 36 K N 1.137 121.711 120.400 0.289 0.000 2.557 36 K HA 0.441 4.763 4.320 0.004 0.000 0.257 36 K C -1.502 175.229 176.600 0.218 0.000 0.933 36 K CA -0.777 55.661 56.287 0.251 0.000 0.820 36 K CB 1.795 34.387 32.500 0.152 0.000 1.330 36 K HN 0.840 nan 8.250 nan 0.000 0.432 37 R N 1.395 122.062 120.500 0.280 0.000 2.599 37 R HA 0.491 4.833 4.340 0.004 0.000 0.295 37 R C -1.034 175.514 176.300 0.413 0.000 0.963 37 R CA -0.708 55.551 56.100 0.265 0.000 0.883 37 R CB 2.191 32.563 30.300 0.120 0.000 1.171 37 R HN 0.806 nan 8.270 nan 0.000 0.450 38 T N -0.519 114.237 114.554 0.336 0.000 2.883 38 T HA 0.657 5.010 4.350 0.004 0.000 0.301 38 T C -0.440 174.412 174.700 0.255 0.000 1.158 38 T CA -0.774 61.501 62.100 0.291 0.000 1.007 38 T CB 1.317 70.284 68.868 0.164 0.000 1.186 38 T HN 0.361 nan 8.240 nan 0.000 0.499 39 I N 1.652 122.325 120.570 0.172 0.000 2.498 39 I HA 0.585 4.757 4.170 0.004 0.000 0.290 39 I C -0.316 175.754 176.117 -0.078 0.000 1.032 39 I CA -0.717 60.576 61.300 -0.010 0.000 1.073 39 I CB 2.409 40.408 38.000 -0.003 0.000 1.251 39 I HN 0.743 nan 8.210 nan 0.000 0.426 40 S N 4.278 119.875 115.700 -0.172 0.000 2.634 40 S HA 0.810 5.282 4.470 0.004 0.000 0.296 40 S C -0.704 173.790 174.600 -0.177 0.000 1.104 40 S CA -0.775 57.356 58.200 -0.114 0.000 0.920 40 S CB 2.676 65.840 63.200 -0.060 0.000 1.111 40 S HN 0.499 nan 8.310 nan 0.000 0.493 41 V N -1.766 118.102 119.914 -0.077 0.000 2.876 41 V HA 0.681 4.803 4.120 0.004 0.000 0.312 41 V C -0.960 175.163 176.094 0.048 0.000 1.085 41 V CA -0.979 61.312 62.300 -0.014 0.000 0.945 41 V CB 1.428 33.261 31.823 0.016 0.000 1.017 41 V HN 0.793 nan 8.190 nan 0.000 0.428 42 D N 2.000 122.461 120.400 0.101 0.000 2.751 42 D HA -0.227 4.416 4.640 0.004 0.000 0.233 42 D C 0.759 177.083 176.300 0.040 0.000 1.149 42 D CA 1.676 55.728 54.000 0.087 0.000 0.682 42 D CB -1.232 39.636 40.800 0.113 0.000 1.068 42 D HN 1.268 nan 8.370 nan 0.000 0.429 43 N N -1.855 116.852 118.700 0.011 0.000 2.708 43 N HA -0.208 4.534 4.740 0.004 0.000 0.249 43 N C 0.511 176.020 175.510 -0.002 0.000 1.097 43 N CA 1.549 54.595 53.050 -0.006 0.000 0.710 43 N CB -0.757 37.724 38.487 -0.009 0.000 1.032 43 N HN 0.614 nan 8.380 nan 0.000 0.551 44 G N -0.769 108.036 108.800 0.008 0.000 2.702 44 G HA2 0.642 4.604 3.960 0.004 0.000 0.254 44 G HA3 0.642 4.604 3.960 0.004 0.000 0.254 44 G C -0.166 174.736 174.900 0.004 0.000 1.380 44 G CA -0.704 44.405 45.100 0.015 0.000 1.042 44 G HN 0.232 nan 8.290 nan 0.000 0.557 45 R N -0.087 120.422 120.500 0.014 0.000 2.707 45 R HA 0.266 4.608 4.340 0.004 0.000 0.270 45 R C -2.489 173.820 176.300 0.016 0.000 1.083 45 R CA -1.772 54.334 56.100 0.009 0.000 1.182 45 R CB -0.486 29.823 30.300 0.015 0.000 1.084 45 R HN 0.187 nan 8.270 nan 0.000 0.528 46 P HA -0.033 nan 4.420 nan 0.000 0.268 46 P C 0.706 178.029 177.300 0.038 0.000 1.205 46 P CA 0.102 63.217 63.100 0.025 0.000 0.771 46 P CB 0.519 32.242 31.700 0.037 0.000 0.858 47 V N 0.784 120.730 119.914 0.053 0.000 3.605 47 V HA 0.264 4.386 4.120 0.004 0.000 0.284 47 V C 0.196 176.343 176.094 0.090 0.000 1.386 47 V CA 0.228 62.581 62.300 0.088 0.000 1.053 47 V CB 0.128 32.043 31.823 0.154 0.000 0.857 47 V HN 0.156 nan 8.190 nan 0.000 0.436 48 V N 0.644 120.598 119.914 0.067 0.000 2.668 48 V HA 0.634 4.756 4.120 0.004 0.000 0.304 48 V C -0.847 175.225 176.094 -0.038 0.000 1.071 48 V CA -0.420 61.866 62.300 -0.023 0.000 0.894 48 V CB 1.990 33.840 31.823 0.046 0.000 1.008 48 V HN 0.083 nan 8.190 nan 0.000 0.425 49 V N 3.559 123.384 119.914 -0.148 0.000 2.577 49 V HA 0.489 4.611 4.120 0.004 0.000 0.303 49 V C -1.099 174.948 176.094 -0.078 0.000 1.042 49 V CA -0.541 61.752 62.300 -0.012 0.000 0.872 49 V CB 2.484 34.318 31.823 0.018 0.000 0.998 49 V HN 0.856 nan 8.190 nan 0.000 0.423 50 W N 3.169 124.542 121.300 0.122 0.000 2.278 50 W HA 0.449 5.112 4.660 0.005 0.000 0.317 50 W C -0.382 176.221 176.519 0.141 0.000 1.030 50 W CA -0.501 56.928 57.345 0.139 0.000 1.334 50 W CB 1.721 31.269 29.460 0.148 0.000 1.215 50 W HN 0.547 nan 8.180 nan 0.000 0.405 51 D N 1.337 121.904 120.400 0.278 0.000 2.253 51 D HA 0.140 4.782 4.640 0.004 0.000 0.249 51 D C 0.426 176.810 176.300 0.139 0.000 1.049 51 D CA -0.227 53.876 54.000 0.172 0.000 0.929 51 D CB 3.139 43.990 40.800 0.086 0.000 1.176 51 D HN 0.025 nan 8.370 nan 0.000 0.437 56 D N 1.529 122.016 120.400 0.144 0.000 2.198 56 D HA 0.442 5.084 4.640 0.004 0.000 0.247 56 D C -2.246 174.051 176.300 -0.005 0.000 1.010 56 D CA -1.205 52.859 54.000 0.108 0.000 0.880 56 D CB 1.989 42.816 40.800 0.044 0.000 1.209 56 D HN 0.246 nan 8.370 nan 0.000 0.451 57 P HA 0.191 nan 4.420 nan 0.000 0.277 57 P C -0.694 176.407 177.300 -0.332 0.000 1.240 57 P CA -0.528 62.197 63.100 -0.624 0.000 0.798 57 P CB 1.184 31.936 31.700 -1.580 0.000 0.979 58 K N 2.036 122.279 120.400 -0.262 0.000 2.349 58 K HA 0.391 4.713 4.320 0.004 0.000 0.288 58 K C -0.040 176.452 176.600 -0.179 0.000 1.058 58 K CA -0.053 56.140 56.287 -0.156 0.000 0.953 58 K CB 0.064 32.512 32.500 -0.086 0.000 0.997 58 K HN 0.422 nan 8.250 nan 0.000 0.477 59 I N 3.499 123.992 120.570 -0.128 0.000 2.436 59 I HA 0.145 4.318 4.170 0.004 0.000 0.289 59 I C 0.368 176.457 176.117 -0.046 0.000 1.010 59 I CA -1.182 60.063 61.300 -0.093 0.000 1.098 59 I CB 1.474 39.416 38.000 -0.097 0.000 1.266 59 I HN 0.762 nan 8.210 nan 0.000 0.434 60 C N 6.110 125.405 119.300 -0.008 0.000 2.634 60 C HA 0.082 4.544 4.460 0.004 0.000 0.417 60 C C 1.794 176.767 174.990 -0.028 0.000 1.334 60 C CA -0.485 58.532 59.018 -0.001 0.000 1.829 60 C CB 0.327 28.089 27.740 0.036 0.000 2.665 60 C HN 0.825 nan 8.230 nan 0.000 0.614 61 K N 3.168 123.551 120.400 -0.028 0.000 2.211 61 K HA -0.130 4.192 4.320 0.004 0.000 0.204 61 K C 1.446 178.011 176.600 -0.057 0.000 1.047 61 K CA 2.112 58.375 56.287 -0.041 0.000 0.935 61 K CB -0.394 32.087 32.500 -0.031 0.000 0.728 61 K HN 0.987 nan 8.250 nan 0.000 0.452 62 I N -2.517 118.020 120.570 -0.055 0.000 3.904 62 I HA 0.138 4.310 4.170 0.004 0.000 0.333 62 I C 0.149 176.193 176.117 -0.121 0.000 1.361 62 I CA -0.601 60.652 61.300 -0.078 0.000 1.116 62 I CB -0.136 37.827 38.000 -0.062 0.000 1.028 62 I HN -0.231 nan 8.210 nan 0.000 0.398 63 C N 3.441 122.662 119.300 -0.132 0.000 2.459 63 C HA 0.443 4.905 4.460 0.004 0.000 0.374 63 C C -1.561 173.214 174.990 -0.357 0.000 1.241 63 C CA -0.717 58.144 59.018 -0.261 0.000 2.352 63 C CB 0.570 28.234 27.740 -0.127 0.000 2.490 63 C HN 0.377 nan 8.230 nan 0.000 0.583 64 P HA 0.110 nan 4.420 nan 0.000 0.272 64 P C -0.935 176.195 177.300 -0.282 0.000 1.230 64 P CA 0.068 62.892 63.100 -0.461 0.000 0.788 64 P CB 0.459 31.759 31.700 -0.667 0.000 0.949 65 D N 0.364 120.668 120.400 -0.161 0.000 2.424 65 D HA 0.148 4.791 4.640 0.004 0.000 0.244 65 D C -0.713 175.586 176.300 -0.000 0.000 1.134 65 D CA 0.037 53.996 54.000 -0.070 0.000 0.881 65 D CB 0.333 41.105 40.800 -0.047 0.000 1.191 65 D HN -0.067 nan 8.370 nan 0.000 0.445 66 V N 4.335 124.302 119.914 0.088 0.000 2.304 66 V HA 0.269 4.392 4.120 0.004 0.000 0.278 66 V C 0.381 176.613 176.094 0.231 0.000 1.018 66 V CA -0.692 61.754 62.300 0.243 0.000 0.814 66 V CB 0.496 32.595 31.823 0.460 0.000 1.021 66 V HN 0.706 nan 8.190 nan 0.000 0.440 67 S N 3.035 118.809 115.700 0.124 0.000 2.681 67 S HA 0.232 4.704 4.470 0.004 0.000 0.270 67 S C 1.494 176.000 174.600 -0.156 0.000 1.209 67 S CA 0.120 58.324 58.200 0.007 0.000 0.988 67 S CB 1.353 64.543 63.200 -0.017 0.000 1.006 67 S HN 0.928 nan 8.310 nan 0.000 0.558 68 S N -0.568 114.887 115.700 -0.408 0.000 2.500 68 S HA -0.084 4.389 4.470 0.004 0.000 0.239 68 S C 1.381 175.757 174.600 -0.372 0.000 0.989 68 S CA 1.033 58.683 58.200 -0.917 0.000 0.951 68 S CB -1.265 61.577 63.200 -0.596 0.000 0.759 68 S HN 1.047 nan 8.310 nan 0.000 0.523 69 T N -2.605 111.878 114.554 -0.118 0.000 3.044 69 T HA 0.233 4.585 4.350 0.004 0.000 0.260 69 T C 0.026 174.771 174.700 0.076 0.000 1.019 69 T CA -0.502 61.602 62.100 0.008 0.000 0.921 69 T CB -0.141 68.725 68.868 -0.003 0.000 1.053 69 T HN 0.103 nan 8.240 nan 0.000 0.533 70 D N 1.360 121.829 120.400 0.114 0.000 2.399 70 D HA 0.158 4.801 4.640 0.004 0.000 0.241 70 D C 1.334 177.757 176.300 0.204 0.000 1.133 70 D CA -0.310 53.788 54.000 0.164 0.000 0.890 70 D CB 1.466 42.394 40.800 0.213 0.000 1.201 70 D HN 0.074 nan 8.370 nan 0.000 0.432 71 I N 2.229 122.897 120.570 0.163 0.000 2.194 71 I HA -0.316 3.857 4.170 0.004 0.000 0.246 71 I C 1.653 177.865 176.117 0.159 0.000 1.093 71 I CA 1.857 63.232 61.300 0.125 0.000 1.355 71 I CB -0.064 37.975 38.000 0.064 0.000 1.046 71 I HN 0.326 nan 8.210 nan 0.000 0.413 72 E N -0.438 119.923 120.200 0.268 0.000 2.058 72 E HA -0.292 4.060 4.350 0.004 0.000 0.194 72 E C 2.112 178.883 176.600 0.285 0.000 0.997 72 E CA 2.115 58.727 56.400 0.354 0.000 0.801 72 E CB -0.794 29.264 29.700 0.596 0.000 0.746 72 E HN 0.721 nan 8.360 nan 0.000 0.450 73 Y N 0.828 121.238 120.300 0.183 0.000 2.145 73 Y HA -0.240 4.311 4.550 0.003 0.000 0.286 73 Y C 2.117 177.935 175.900 -0.136 0.000 1.145 73 Y CA 1.351 59.422 58.100 -0.049 0.000 1.148 73 Y CB -0.241 38.253 38.460 0.057 0.000 0.981 73 Y HN -0.121 nan 8.280 nan 0.000 0.507 74 V N 0.211 120.212 119.914 0.146 0.000 2.343 74 V HA -0.291 3.832 4.120 0.004 0.000 0.247 74 V C 2.163 178.179 176.094 -0.129 0.000 1.051 74 V CA 2.015 64.332 62.300 0.029 0.000 1.036 74 V CB -1.070 30.816 31.823 0.105 0.000 0.654 74 V HN 0.547 nan 8.190 nan 0.000 0.451 75 F N 0.503 120.314 119.950 -0.231 0.000 2.091 75 F HA -0.230 4.299 4.527 0.003 0.000 0.299 75 F C 2.044 177.627 175.800 -0.361 0.000 1.103 75 F CA 1.855 59.652 58.000 -0.339 0.000 1.228 75 F CB -0.269 38.425 39.000 -0.511 0.000 0.984 75 F HN 0.035 nan 8.300 nan 0.000 0.477 76 L N -0.218 120.810 121.223 -0.324 0.000 2.093 76 L HA -0.192 4.150 4.340 0.004 0.000 0.208 76 L C 2.200 178.750 176.870 -0.534 0.000 1.085 76 L CA 1.607 56.205 54.840 -0.403 0.000 0.755 76 L CB -0.822 41.024 42.059 -0.355 0.000 0.904 76 L HN 0.147 nan 8.230 nan 0.000 0.435 77 D N 0.582 120.595 120.400 -0.646 0.000 2.097 77 D HA -0.188 4.455 4.640 0.004 0.000 0.195 77 D C 2.189 178.263 176.300 -0.377 0.000 0.989 77 D CA 1.374 55.036 54.000 -0.563 0.000 0.827 77 D CB 0.015 40.479 40.800 -0.560 0.000 0.966 77 D HN 0.230 nan 8.370 nan 0.000 0.456 78 I N 0.217 120.572 120.570 -0.359 0.000 2.179 78 I HA -0.265 3.907 4.170 0.004 0.000 0.242 78 I C 2.410 178.329 176.117 -0.329 0.000 1.088 78 I CA 0.875 61.992 61.300 -0.305 0.000 1.357 78 I CB -0.302 37.521 38.000 -0.296 0.000 1.051 78 I HN 0.111 nan 8.210 nan 0.000 0.409 79 Q N 0.765 120.288 119.800 -0.463 0.000 2.050 79 Q HA -0.244 4.098 4.340 0.004 0.000 0.202 79 Q C 2.145 178.011 176.000 -0.222 0.000 0.980 79 Q CA 1.504 57.094 55.803 -0.355 0.000 0.840 79 Q CB -0.459 28.014 28.738 -0.442 0.000 0.898 79 Q HN 0.473 nan 8.270 nan 0.000 0.424 80 K N 0.278 120.525 120.400 -0.255 0.000 2.032 80 K HA -0.120 4.202 4.320 0.004 0.000 0.209 80 K C 2.211 178.709 176.600 -0.170 0.000 1.048 80 K CA 1.444 57.604 56.287 -0.211 0.000 0.927 80 K CB -0.052 32.271 32.500 -0.295 0.000 0.712 80 K HN 0.144 nan 8.250 nan 0.000 0.441 81 M N -0.023 119.469 119.600 -0.181 0.000 2.117 81 M HA -0.190 4.293 4.480 0.004 0.000 0.262 81 M C 2.407 178.644 176.300 -0.104 0.000 1.065 81 M CA 1.518 56.739 55.300 -0.133 0.000 1.114 81 M CB -0.366 32.158 32.600 -0.127 0.000 1.361 81 M HN 0.171 nan 8.290 nan 0.000 0.408 82 R N 1.203 121.637 120.500 -0.110 0.000 2.083 82 R HA -0.154 4.188 4.340 0.004 0.000 0.237 82 R C 1.971 178.238 176.300 -0.056 0.000 1.137 82 R CA 1.506 57.560 56.100 -0.077 0.000 0.951 82 R CB -0.327 29.929 30.300 -0.073 0.000 0.851 82 R HN 0.387 nan 8.270 nan 0.000 0.434 83 L N 0.759 121.951 121.223 -0.052 0.000 2.056 83 L HA -0.168 4.175 4.340 0.004 0.000 0.207 83 L C 2.156 178.994 176.870 -0.053 0.000 1.078 83 L CA 1.038 55.860 54.840 -0.031 0.000 0.749 83 L CB -0.782 41.268 42.059 -0.014 0.000 0.901 83 L HN 0.284 nan 8.230 nan 0.000 0.433 84 N N 0.766 119.429 118.700 -0.063 0.000 2.094 84 N HA -0.200 4.542 4.740 0.004 0.000 0.191 84 N C 1.607 177.071 175.510 -0.078 0.000 1.023 84 N CA 1.542 54.555 53.050 -0.062 0.000 0.857 84 N CB -0.525 37.927 38.487 -0.059 0.000 1.013 84 N HN 0.336 nan 8.380 nan 0.000 0.426 85 N N 0.922 119.577 118.700 -0.076 0.000 2.120 85 N HA -0.028 4.714 4.740 0.004 0.000 0.188 85 N C 1.900 177.342 175.510 -0.113 0.000 1.024 85 N CA 0.572 53.572 53.050 -0.082 0.000 0.852 85 N CB -0.401 38.046 38.487 -0.067 0.000 1.003 85 N HN 0.208 nan 8.380 nan 0.000 0.424 86 L N 0.131 121.291 121.223 -0.106 0.000 2.046 86 L HA -0.149 4.193 4.340 0.004 0.000 0.208 86 L C 2.078 178.821 176.870 -0.213 0.000 1.077 86 L CA 0.849 55.611 54.840 -0.131 0.000 0.747 86 L CB -0.401 41.609 42.059 -0.082 0.000 0.896 86 L HN 0.217 nan 8.230 nan 0.000 0.432 87 L N -0.991 120.114 121.223 -0.197 0.000 1.976 87 L HA -0.210 4.132 4.340 0.004 0.000 0.209 87 L C 2.666 179.271 176.870 -0.442 0.000 1.071 87 L CA 1.843 56.518 54.840 -0.274 0.000 0.746 87 L CB -0.936 41.026 42.059 -0.161 0.000 0.890 87 L HN 0.264 nan 8.230 nan 0.000 0.432 88 T N -0.763 113.621 114.554 -0.284 0.000 2.684 88 T HA -0.284 4.068 4.350 0.004 0.000 0.267 88 T C 2.162 176.659 174.700 -0.338 0.000 1.036 88 T CA 1.981 63.938 62.100 -0.238 0.000 1.148 88 T CB -0.532 68.282 68.868 -0.089 0.000 0.863 88 T HN 0.537 nan 8.240 nan 0.000 0.436 89 Q N 1.092 120.713 119.800 -0.298 0.000 1.965 89 Q HA 0.059 4.401 4.340 0.004 0.000 0.200 89 Q C 1.956 177.696 176.000 -0.433 0.000 0.981 89 Q CA 1.763 57.427 55.803 -0.232 0.000 0.834 89 Q CB -0.553 28.108 28.738 -0.129 0.000 0.900 89 Q HN 0.757 nan 8.270 nan 0.000 0.426 90 S N -1.790 113.598 115.700 -0.519 0.000 2.607 90 S HA 0.536 5.008 4.470 0.004 0.000 0.196 90 S C -0.601 173.805 174.600 -0.323 0.000 0.911 90 S CA -0.442 57.518 58.200 -0.399 0.000 1.133 90 S CB -0.531 62.620 63.200 -0.082 0.000 1.612 90 S HN 0.469 nan 8.310 nan 0.000 0.437 91 L N 1.541 122.439 121.223 -0.541 0.000 2.472 91 L HA 0.408 4.750 4.340 0.004 0.000 0.256 91 L C 0.257 176.986 176.870 -0.234 0.000 1.560 91 L CA -0.385 54.303 54.840 -0.254 0.000 0.805 91 L CB 0.279 42.231 42.059 -0.178 0.000 1.017 91 L HN 0.496 nan 8.230 nan 0.000 0.519 92 W N 0.502 121.805 121.300 0.006 0.000 2.770 92 W HA -0.023 4.639 4.660 0.003 0.000 0.256 92 W C 1.285 177.808 176.519 0.006 0.000 1.291 92 W CA 0.524 57.873 57.345 0.007 0.000 1.396 92 W CB 0.104 29.567 29.460 0.005 0.000 1.114 92 W HN 0.610 nan 8.180 nan 0.000 0.637 93 D N -0.735 119.781 120.400 0.194 0.000 2.332 93 D HA -0.017 4.625 4.640 0.004 0.000 0.244 93 D C 0.317 176.659 176.300 0.070 0.000 1.136 93 D CA 0.570 54.639 54.000 0.116 0.000 0.884 93 D CB -0.199 40.655 40.800 0.090 0.000 0.906 93 D HN -0.264 nan 8.370 nan 0.000 0.520 94 T N -0.673 113.916 114.554 0.059 0.000 2.933 94 T HA 0.147 4.499 4.350 0.004 0.000 0.305 94 T C -0.123 174.593 174.700 0.028 0.000 1.092 94 T CA -0.623 61.495 62.100 0.031 0.000 1.008 94 T CB 1.619 70.493 68.868 0.009 0.000 1.102 94 T HN -0.236 nan 8.240 nan 0.000 0.469 95 Q N 2.127 121.944 119.800 0.028 0.000 2.408 95 Q HA 0.194 4.536 4.340 0.004 0.000 0.205 95 Q C 0.634 176.645 176.000 0.017 0.000 0.919 95 Q CA 0.498 56.318 55.803 0.028 0.000 0.932 95 Q CB 0.376 29.133 28.738 0.031 0.000 1.058 95 Q HN 0.690 nan 8.270 nan 0.000 0.517 96 R N -0.826 119.682 120.500 0.012 0.000 2.710 96 R HA 0.661 5.003 4.340 0.004 0.000 0.270 96 R C -1.333 174.974 176.300 0.013 0.000 1.021 96 R CA -0.710 55.398 56.100 0.013 0.000 0.889 96 R CB 1.189 31.500 30.300 0.019 0.000 1.243 96 R HN -0.003 nan 8.270 nan 0.000 0.464 97 I N 0.859 121.440 120.570 0.018 0.000 2.656 97 I HA 0.506 4.679 4.170 0.004 0.000 0.292 97 I C -1.570 174.569 176.117 0.037 0.000 1.144 97 I CA -0.748 60.569 61.300 0.029 0.000 1.038 97 I CB 2.097 40.113 38.000 0.027 0.000 1.244 97 I HN 0.880 nan 8.210 nan 0.000 0.420 98 C N 7.171 126.497 119.300 0.042 0.000 2.563 98 C HA 0.830 5.292 4.460 0.004 0.000 0.314 98 C C -1.177 173.817 174.990 0.007 0.000 1.199 98 C CA -0.320 58.717 59.018 0.033 0.000 1.564 98 C CB 1.428 29.185 27.740 0.028 0.000 2.173 98 C HN 0.648 nan 8.230 nan 0.000 0.485 99 V N 6.148 126.052 119.914 -0.016 0.000 2.735 99 V HA 0.759 4.881 4.120 0.004 0.000 0.310 99 V C -0.720 175.391 176.094 0.027 0.000 1.061 99 V CA -0.467 61.751 62.300 -0.137 0.000 0.913 99 V CB 1.776 33.485 31.823 -0.190 0.000 1.005 99 V HN 0.981 nan 8.190 nan 0.000 0.428 100 R N 4.833 125.347 120.500 0.023 0.000 2.514 100 R HA 0.471 4.814 4.340 0.004 0.000 0.296 100 R C -2.237 174.178 176.300 0.192 0.000 1.012 100 R CA -0.533 55.683 56.100 0.194 0.000 0.897 100 R CB 1.623 32.030 30.300 0.178 0.000 1.184 100 R HN 0.737 nan 8.270 nan 0.000 0.440 101 Y N 2.141 122.587 120.300 0.244 0.000 2.385 101 Y HA 0.463 5.016 4.550 0.003 0.000 0.341 101 Y C 0.127 176.140 175.900 0.189 0.000 0.965 101 Y CA -0.514 57.720 58.100 0.223 0.000 1.180 101 Y CB 2.178 40.818 38.460 0.300 0.000 1.139 101 Y HN 0.639 nan 8.280 nan 0.000 0.502 102 A N 3.730 126.669 122.820 0.199 0.000 2.273 102 A HA 0.626 4.948 4.320 0.004 0.000 0.320 102 A C -0.933 176.647 177.584 -0.008 0.000 1.358 102 A CA -0.470 51.631 52.037 0.107 0.000 0.910 102 A CB -0.341 18.762 19.000 0.171 0.000 1.159 102 A HN 0.797 nan 8.150 nan 0.000 0.526 103 c N 2.662 121.193 118.600 -0.116 0.000 2.379 103 c HA 0.636 5.208 4.570 0.004 0.000 0.323 103 c C -0.108 173.641 174.090 -0.568 0.000 1.262 103 c CA -0.610 55.512 56.329 -0.345 0.000 1.581 103 c CB 0.728 42.966 42.510 -0.453 0.000 2.221 103 c HN 0.848 nan 8.230 nan 0.000 0.497 104 L N 3.289 124.198 121.223 -0.523 0.000 2.282 104 L HA 0.630 4.972 4.340 0.004 0.000 0.288 104 L C -1.102 175.396 176.870 -0.619 0.000 1.033 104 L CA 0.024 54.578 54.840 -0.476 0.000 0.807 104 L CB 0.096 42.002 42.059 -0.255 0.000 1.209 104 L HN 0.554 nan 8.230 nan 0.000 0.423 105 F N 6.643 126.364 119.950 -0.381 0.000 2.313 105 F HA 0.432 4.961 4.527 0.003 0.000 0.369 105 F C -0.296 175.299 175.800 -0.342 0.000 1.109 105 F CA -0.488 57.271 58.000 -0.402 0.000 1.132 105 F CB 1.023 39.609 39.000 -0.689 0.000 1.291 105 F HN 0.292 nan 8.300 nan 0.000 0.496 106 L N 3.861 125.017 121.223 -0.112 0.000 2.294 106 L HA 0.768 5.110 4.340 0.004 0.000 0.283 106 L C 0.520 177.232 176.870 -0.262 0.000 1.015 106 L CA 0.141 54.875 54.840 -0.178 0.000 0.831 106 L CB 0.544 42.518 42.059 -0.141 0.000 1.217 106 L HN 0.750 nan 8.230 nan 0.000 0.420 107 G N 4.319 112.785 108.800 -0.558 0.000 2.622 107 G HA2 -0.367 3.595 3.960 0.004 0.000 0.307 107 G HA3 -0.367 3.595 3.960 0.004 0.000 0.307 107 G C 0.310 174.854 174.900 -0.593 0.000 1.226 107 G CA 0.708 45.031 45.100 -1.295 0.000 0.997 107 G HN 0.473 nan 8.290 nan 0.000 0.551 108 F N 3.032 122.892 119.950 -0.150 0.000 2.708 108 F HA 0.398 4.927 4.527 0.004 0.000 0.300 108 F C 0.785 176.619 175.800 0.057 0.000 1.118 108 F CA -0.941 57.095 58.000 0.061 0.000 1.307 108 F CB 0.173 39.302 39.000 0.215 0.000 0.986 108 F HN 0.141 nan 8.300 nan 0.000 0.522 109 D N -0.160 120.338 120.400 0.164 0.000 2.326 109 D HA 0.592 5.234 4.640 0.004 0.000 0.251 109 D C -0.362 175.970 176.300 0.054 0.000 1.023 109 D CA -0.094 53.963 54.000 0.095 0.000 0.966 109 D CB 3.100 43.925 40.800 0.042 0.000 1.156 109 D HN -0.248 nan 8.370 nan 0.000 0.494 110 V N 1.414 121.328 119.914 0.001 0.000 2.808 110 V HA 0.433 4.555 4.120 0.004 0.000 0.308 110 V C -0.387 175.640 176.094 -0.112 0.000 1.099 110 V CA -0.712 61.523 62.300 -0.108 0.000 0.920 110 V CB 2.155 33.917 31.823 -0.101 0.000 1.014 110 V HN 0.364 nan 8.190 nan 0.000 0.425 111 I N 3.314 123.782 120.570 -0.170 0.000 2.410 111 I HA 0.530 4.702 4.170 0.004 0.000 0.286 111 I C -0.725 175.304 176.117 -0.146 0.000 1.009 111 I CA -0.185 61.042 61.300 -0.121 0.000 1.111 111 I CB 1.676 39.616 38.000 -0.100 0.000 1.262 111 I HN 0.513 nan 8.210 nan 0.000 0.443 112 c N 3.780 122.325 118.600 -0.092 0.000 2.417 112 c HA 0.470 5.042 4.570 0.004 0.000 0.324 112 c C -0.349 173.687 174.090 -0.091 0.000 1.240 112 c CA -0.765 55.523 56.329 -0.069 0.000 1.632 112 c CB 1.372 43.905 42.510 0.039 0.000 2.241 112 c HN 0.592 nan 8.230 nan 0.000 0.499 113 D N 1.801 122.123 120.400 -0.129 0.000 2.233 113 D HA 0.459 5.101 4.640 0.004 0.000 0.240 113 D C -0.666 175.339 176.300 -0.490 0.000 1.074 113 D CA 0.002 53.823 54.000 -0.299 0.000 0.838 113 D CB 1.888 42.535 40.800 -0.255 0.000 1.124 113 D HN 0.240 nan 8.370 nan 0.000 0.475 114 V N 3.290 122.843 119.914 -0.601 0.000 2.384 114 V HA 0.312 4.434 4.120 0.004 0.000 0.287 114 V C -0.881 174.811 176.094 -0.670 0.000 1.020 114 V CA -0.742 61.183 62.300 -0.624 0.000 0.850 114 V CB 0.599 32.147 31.823 -0.457 0.000 0.987 114 V HN 0.364 nan 8.190 nan 0.000 0.436 115 Y N 3.002 123.147 120.300 -0.259 0.000 2.364 115 Y HA 0.668 5.220 4.550 0.004 0.000 0.340 115 Y C 0.043 175.771 175.900 -0.287 0.000 0.975 115 Y CA -0.673 57.312 58.100 -0.191 0.000 1.089 115 Y CB 1.606 39.989 38.460 -0.129 0.000 1.192 115 Y HN 0.656 nan 8.280 nan 0.000 0.454 116 H N 0.482 119.560 119.070 0.013 0.000 2.538 116 H HA 0.684 5.242 4.556 0.004 0.000 0.353 116 H C -0.860 174.472 175.328 0.006 0.000 1.109 116 H CA -0.747 55.306 56.048 0.007 0.000 1.192 116 H CB 1.908 31.655 29.762 -0.025 0.000 1.555 116 H HN 0.559 nan 8.280 nan 0.000 0.518 117 T N 2.334 116.953 114.554 0.107 0.000 2.921 117 T HA 0.471 4.823 4.350 0.004 0.000 0.297 117 T C -0.297 174.431 174.700 0.047 0.000 1.013 117 T CA -0.950 61.184 62.100 0.057 0.000 0.990 117 T CB 1.325 70.209 68.868 0.026 0.000 1.023 117 T HN 0.769 nan 8.240 nan 0.000 0.447 118 T N -0.946 113.627 114.554 0.032 0.000 2.858 118 T HA 0.459 4.811 4.350 0.004 0.000 0.285 118 T C 0.496 175.204 174.700 0.014 0.000 1.052 118 T CA -0.777 61.336 62.100 0.021 0.000 1.009 118 T CB 1.362 70.239 68.868 0.015 0.000 1.241 118 T HN 0.227 nan 8.240 nan 0.000 0.542 119 D N 1.213 121.622 120.400 0.014 0.000 2.116 119 D HA -0.102 4.541 4.640 0.004 0.000 0.193 119 D C 2.060 178.366 176.300 0.010 0.000 0.998 119 D CA 2.451 56.459 54.000 0.013 0.000 0.836 119 D CB -0.463 40.348 40.800 0.018 0.000 0.951 119 D HN 0.861 nan 8.370 nan 0.000 0.449 120 T N -2.921 111.640 114.554 0.012 0.000 3.023 120 T HA 0.320 4.672 4.350 0.004 0.000 0.253 120 T C 0.445 175.148 174.700 0.004 0.000 1.038 120 T CA -0.355 61.750 62.100 0.009 0.000 0.962 120 T CB 0.472 69.348 68.868 0.013 0.000 1.018 120 T HN -0.139 nan 8.240 nan 0.000 0.521 121 V N 0.911 120.827 119.914 0.004 0.000 2.638 121 V HA 0.682 4.804 4.120 0.004 0.000 0.306 121 V C -0.756 175.339 176.094 0.002 0.000 1.052 121 V CA -1.168 61.131 62.300 -0.001 0.000 0.885 121 V CB 2.126 33.946 31.823 -0.006 0.000 0.999 121 V HN 0.248 nan 8.190 nan 0.000 0.424 122 R N 2.431 122.927 120.500 -0.006 0.000 2.513 122 R HA 0.837 5.179 4.340 0.004 0.000 0.301 122 R C -1.607 174.678 176.300 -0.025 0.000 0.968 122 R CA -0.268 55.833 56.100 0.001 0.000 0.872 122 R CB 2.010 32.310 30.300 -0.000 0.000 1.177 122 R HN 0.591 nan 8.270 nan 0.000 0.444 123 V N 2.278 122.170 119.914 -0.035 0.000 2.735 123 V HA 0.874 4.996 4.120 0.004 0.000 0.310 123 V C -0.789 175.190 176.094 -0.191 0.000 1.061 123 V CA -0.927 61.275 62.300 -0.164 0.000 0.913 123 V CB 1.973 33.629 31.823 -0.278 0.000 1.005 123 V HN 0.885 nan 8.190 nan 0.000 0.428 124 A N 3.244 125.871 122.820 -0.321 0.000 2.375 124 A HA 0.803 5.125 4.320 0.004 0.000 0.295 124 A C -1.686 175.623 177.584 -0.457 0.000 1.066 124 A CA -0.409 51.411 52.037 -0.361 0.000 0.722 124 A CB 0.861 19.805 19.000 -0.094 0.000 1.206 124 A HN 0.703 nan 8.150 nan 0.000 0.435 125 Y N 2.013 122.176 120.300 -0.229 0.000 2.434 125 Y HA 0.466 5.018 4.550 0.003 0.000 0.341 125 Y C 1.205 176.960 175.900 -0.241 0.000 0.965 125 Y CA -0.434 57.559 58.100 -0.179 0.000 1.205 125 Y CB 1.230 39.605 38.460 -0.140 0.000 1.121 125 Y HN 0.673 nan 8.280 nan 0.000 0.507 126 T N -1.591 112.929 114.554 -0.056 0.000 2.934 126 T HA 0.552 4.904 4.350 0.004 0.000 0.283 126 T C 1.055 175.730 174.700 -0.041 0.000 1.005 126 T CA -0.288 61.758 62.100 -0.091 0.000 1.041 126 T CB 1.550 70.377 68.868 -0.067 0.000 1.042 126 T HN 1.111 nan 8.240 nan 0.000 0.505 127 G N 1.368 110.138 108.800 -0.051 0.000 2.198 127 G HA2 -0.211 3.751 3.960 0.004 0.000 0.260 127 G HA3 -0.211 3.751 3.960 0.004 0.000 0.260 127 G C 0.061 174.946 174.900 -0.026 0.000 1.025 127 G CA -0.140 44.939 45.100 -0.035 0.000 0.769 127 G HN 0.895 nan 8.290 nan 0.000 0.507 128 Q N 0.013 119.797 119.800 -0.028 0.000 2.337 128 Q HA 0.361 4.703 4.340 0.004 0.000 0.270 128 Q C 1.511 177.506 176.000 -0.008 0.000 1.002 128 Q CA 1.095 56.890 55.803 -0.012 0.000 0.888 128 Q CB 0.980 29.717 28.738 -0.002 0.000 1.222 128 Q HN 0.684 nan 8.270 nan 0.000 0.400 129 T N -2.874 111.684 114.554 0.006 0.000 3.003 129 T HA 0.268 4.621 4.350 0.004 0.000 0.261 129 T C 1.063 175.788 174.700 0.041 0.000 1.003 129 T CA 0.215 62.322 62.100 0.011 0.000 0.917 129 T CB 0.285 69.160 68.868 0.012 0.000 1.084 129 T HN 0.797 nan 8.240 nan 0.000 0.522 130 G N 2.820 111.658 108.800 0.063 0.000 2.249 130 G HA2 -0.295 3.667 3.960 0.004 0.000 0.273 130 G HA3 -0.295 3.667 3.960 0.004 0.000 0.273 130 G C -0.119 174.875 174.900 0.156 0.000 1.036 130 G CA 0.838 46.013 45.100 0.126 0.000 0.824 130 G HN 1.001 nan 8.290 nan 0.000 0.504 148 I N 0.790 121.392 120.570 0.052 0.000 2.252 148 I HA 0.056 4.228 4.170 0.004 0.000 0.245 148 I C 2.348 178.598 176.117 0.221 0.000 1.102 148 I CA 1.663 63.026 61.300 0.105 0.000 1.385 148 I CB -0.676 37.347 38.000 0.037 0.000 1.064 148 I HN 0.254 nan 8.210 nan 0.000 0.414 149 G N 0.264 109.207 108.800 0.239 0.000 2.553 149 G HA2 -0.287 3.675 3.960 0.004 0.000 0.218 149 G HA3 -0.287 3.675 3.960 0.004 0.000 0.218 149 G C 1.714 176.778 174.900 0.273 0.000 1.195 149 G CA 1.784 47.071 45.100 0.311 0.000 0.779 149 G HN 0.365 nan 8.290 nan 0.000 0.577 150 T N -0.033 114.713 114.554 0.320 0.000 2.803 150 T HA -0.182 4.170 4.350 0.004 0.000 0.269 150 T C 1.910 176.662 174.700 0.086 0.000 1.052 150 T CA 1.387 63.588 62.100 0.167 0.000 1.136 150 T CB -0.336 68.627 68.868 0.159 0.000 0.864 150 T HN 0.429 nan 8.240 nan 0.000 0.467 151 Y N 1.697 122.018 120.300 0.034 0.000 2.114 151 Y HA -0.231 4.322 4.550 0.004 0.000 0.282 151 Y C 2.421 178.321 175.900 -0.000 0.000 1.165 151 Y CA 1.766 59.874 58.100 0.014 0.000 1.148 151 Y CB -0.484 37.984 38.460 0.013 0.000 0.972 151 Y HN 0.156 nan 8.280 nan 0.000 0.504 152 M N -0.266 119.247 119.600 -0.144 0.000 2.080 152 M HA -0.219 4.263 4.480 0.004 0.000 0.260 152 M C 2.003 178.147 176.300 -0.261 0.000 1.068 152 M CA 2.298 57.465 55.300 -0.221 0.000 1.109 152 M CB -0.350 32.268 32.600 0.029 0.000 1.342 152 M HN 0.442 nan 8.290 nan 0.000 0.405 153 I N 0.193 120.597 120.570 -0.277 0.000 2.142 153 I HA -0.307 3.865 4.170 0.004 0.000 0.240 153 I C 2.437 178.489 176.117 -0.110 0.000 1.078 153 I CA 1.328 62.468 61.300 -0.265 0.000 1.343 153 I CB -0.577 37.211 38.000 -0.353 0.000 1.046 153 I HN 0.279 nan 8.210 nan 0.000 0.405 154 K N 1.406 121.738 120.400 -0.112 0.000 2.044 154 K HA -0.173 4.149 4.320 0.004 0.000 0.210 154 K C 2.010 178.532 176.600 -0.129 0.000 1.049 154 K CA 2.160 58.406 56.287 -0.069 0.000 0.927 154 K CB -0.519 31.952 32.500 -0.049 0.000 0.713 154 K HN 0.164 nan 8.250 nan 0.000 0.443 155 S N 0.611 116.136 115.700 -0.292 0.000 2.500 155 S HA -0.011 4.462 4.470 0.004 0.000 0.239 155 S C 0.622 175.110 174.600 -0.186 0.000 0.989 155 S CA 0.992 59.013 58.200 -0.298 0.000 0.951 155 S CB -0.229 62.651 63.200 -0.535 0.000 0.759 155 S HN 0.385 nan 8.310 nan 0.000 0.523 156 N N 0.306 118.914 118.700 -0.153 0.000 2.241 156 N HA 0.199 4.941 4.740 0.004 0.000 0.238 156 N C 0.898 176.343 175.510 -0.108 0.000 1.244 156 N CA 0.088 53.068 53.050 -0.117 0.000 0.880 156 N CB 0.790 39.220 38.487 -0.095 0.000 1.179 156 N HN 0.125 nan 8.380 nan 0.000 0.513 157 V N 1.477 121.334 119.914 -0.096 0.000 2.252 157 V HA -0.284 3.838 4.120 0.004 0.000 0.249 157 V C 2.400 178.373 176.094 -0.201 0.000 1.056 157 V CA 1.808 64.056 62.300 -0.087 0.000 1.022 157 V CB -0.337 31.526 31.823 0.066 0.000 0.641 157 V HN 0.294 nan 8.190 nan 0.000 0.445 158 R N -0.322 119.954 120.500 -0.373 0.000 2.096 158 R HA -0.248 4.094 4.340 0.004 0.000 0.240 158 R C 2.433 178.626 176.300 -0.178 0.000 1.139 158 R CA 2.081 57.875 56.100 -0.511 0.000 0.952 158 R CB -0.412 29.477 30.300 -0.686 0.000 0.854 158 R HN 0.650 nan 8.270 nan 0.000 0.436 159 E N 0.787 120.913 120.200 -0.124 0.000 2.051 159 E HA -0.188 4.164 4.350 0.004 0.000 0.192 159 E C 1.993 178.617 176.600 0.040 0.000 0.991 159 E CA 1.169 57.550 56.400 -0.031 0.000 0.799 159 E CB -0.011 29.678 29.700 -0.019 0.000 0.748 159 E HN 0.284 nan 8.360 nan 0.000 0.449 160 I N 1.001 121.581 120.570 0.018 0.000 2.142 160 I HA -0.309 3.863 4.170 0.004 0.000 0.240 160 I C 2.517 178.758 176.117 0.206 0.000 1.078 160 I CA 1.319 62.685 61.300 0.109 0.000 1.343 160 I CB -0.271 37.654 38.000 -0.125 0.000 1.046 160 I HN 0.039 nan 8.210 nan 0.000 0.405 161 K N 0.524 120.960 120.400 0.060 0.000 2.063 161 K HA -0.228 4.094 4.320 0.004 0.000 0.208 161 K C 2.007 178.781 176.600 0.288 0.000 1.048 161 K CA 1.658 58.125 56.287 0.299 0.000 0.928 161 K CB -0.495 32.169 32.500 0.274 0.000 0.713 161 K HN 0.405 nan 8.250 nan 0.000 0.442 162 N N 1.480 120.286 118.700 0.177 0.000 2.120 162 N HA -0.183 4.560 4.740 0.004 0.000 0.188 162 N C 1.757 177.306 175.510 0.066 0.000 1.024 162 N CA 1.258 54.379 53.050 0.117 0.000 0.852 162 N CB 0.106 38.636 38.487 0.071 0.000 1.003 162 N HN 0.166 nan 8.380 nan 0.000 0.424 163 R N -1.163 119.382 120.500 0.075 0.000 2.092 163 R HA -0.092 4.251 4.340 0.004 0.000 0.231 163 R C 1.410 177.576 176.300 -0.223 0.000 1.119 163 R CA 1.651 57.711 56.100 -0.067 0.000 0.970 163 R CB -0.120 30.165 30.300 -0.025 0.000 0.864 163 R HN 0.385 nan 8.270 nan 0.000 0.440 164 W N -0.562 120.735 121.300 -0.004 0.000 2.993 164 W HA 0.262 4.924 4.660 0.003 0.000 0.290 164 W C 2.029 178.406 176.519 -0.237 0.000 1.203 164 W CA -0.563 56.727 57.345 -0.093 0.000 1.582 164 W CB 0.118 29.545 29.460 -0.055 0.000 1.033 164 W HN -0.034 nan 8.180 nan 0.000 0.594 165 R N 0.645 121.156 120.500 0.019 0.000 2.115 165 R HA -0.257 4.085 4.340 0.004 0.000 0.239 165 R C 2.335 178.468 176.300 -0.278 0.000 1.133 165 R CA 2.378 58.411 56.100 -0.112 0.000 0.935 165 R CB -0.889 29.422 30.300 0.018 0.000 0.853 165 R HN 0.060 nan 8.270 nan 0.000 0.433 166 S N -0.888 114.690 115.700 -0.202 0.000 2.370 166 S HA -0.149 4.323 4.470 0.004 0.000 0.226 166 S C 1.784 176.275 174.600 -0.181 0.000 1.033 166 S CA 1.979 60.054 58.200 -0.208 0.000 1.011 166 S CB -0.435 62.671 63.200 -0.157 0.000 0.852 166 S HN 0.606 nan 8.310 nan 0.000 0.457 167 T N 1.579 116.046 114.554 -0.145 0.000 2.684 167 T HA -0.069 4.283 4.350 0.004 0.000 0.267 167 T C 1.828 176.503 174.700 -0.041 0.000 1.036 167 T CA 1.631 63.681 62.100 -0.083 0.000 1.148 167 T CB -0.505 68.329 68.868 -0.058 0.000 0.863 167 T HN 0.298 nan 8.240 nan 0.000 0.436 168 V N 1.533 121.410 119.914 -0.061 0.000 2.427 168 V HA -0.174 3.949 4.120 0.004 0.000 0.248 168 V C 2.592 178.689 176.094 0.005 0.000 1.051 168 V CA 1.512 63.799 62.300 -0.020 0.000 1.048 168 V CB -0.688 31.061 31.823 -0.122 0.000 0.666 168 V HN 0.524 nan 8.190 nan 0.000 0.456 169 Q N -0.042 119.653 119.800 -0.175 0.000 2.084 169 Q HA -0.218 4.124 4.340 0.004 0.000 0.202 169 Q C 2.346 178.265 176.000 -0.134 0.000 0.978 169 Q CA 1.457 57.135 55.803 -0.208 0.000 0.844 169 Q CB -0.242 28.230 28.738 -0.442 0.000 0.898 169 Q HN 0.599 nan 8.270 nan 0.000 0.426 170 K N 0.676 120.995 120.400 -0.135 0.000 2.057 170 K HA -0.111 4.211 4.320 0.004 0.000 0.207 170 K C 2.131 178.669 176.600 -0.104 0.000 1.049 170 K CA 0.980 57.195 56.287 -0.121 0.000 0.931 170 K CB -0.178 32.262 32.500 -0.101 0.000 0.714 170 K HN 0.174 nan 8.250 nan 0.000 0.440 171 L N 1.335 122.527 121.223 -0.053 0.000 2.127 171 L HA -0.229 4.113 4.340 0.004 0.000 0.211 171 L C 2.263 179.116 176.870 -0.028 0.000 1.089 171 L CA 1.398 56.228 54.840 -0.016 0.000 0.757 171 L CB -0.351 41.728 42.059 0.034 0.000 0.899 171 L HN 0.197 nan 8.230 nan 0.000 0.434 172 K N -0.280 120.100 120.400 -0.034 0.000 2.025 172 K HA -0.177 4.145 4.320 0.004 0.000 0.207 172 K C 2.057 178.458 176.600 -0.332 0.000 1.049 172 K CA 1.215 57.482 56.287 -0.034 0.000 0.933 172 K CB -0.229 32.315 32.500 0.073 0.000 0.714 172 K HN 0.403 nan 8.250 nan 0.000 0.438 173 Q N 0.806 120.290 119.800 -0.526 0.000 2.170 173 Q HA -0.071 4.271 4.340 0.004 0.000 0.203 173 Q C 2.063 177.670 176.000 -0.654 0.000 0.976 173 Q CA 0.935 56.105 55.803 -1.054 0.000 0.858 173 Q CB -0.116 28.281 28.738 -0.567 0.000 0.907 173 Q HN 0.320 nan 8.270 nan 0.000 0.433 174 L N -0.170 120.879 121.223 -0.291 0.000 2.465 174 L HA -0.036 4.306 4.340 0.004 0.000 0.224 174 L C 2.000 178.850 176.870 -0.033 0.000 1.145 174 L CA 0.309 55.074 54.840 -0.124 0.000 0.834 174 L CB -0.187 41.833 42.059 -0.065 0.000 0.944 174 L HN 0.148 nan 8.230 nan 0.000 0.451 175 A N -1.756 121.057 122.820 -0.011 0.000 2.238 175 A HA 0.045 4.367 4.320 0.004 0.000 0.210 175 A C 0.450 178.308 177.584 0.456 0.000 1.179 175 A CA -0.161 51.993 52.037 0.194 0.000 0.827 175 A CB -0.144 18.982 19.000 0.210 0.000 0.856 175 A HN 0.131 nan 8.150 nan 0.000 0.488 176 Y N -0.528 119.854 120.300 0.137 0.000 2.550 176 Y HA 0.022 4.575 4.550 0.004 0.000 0.343 176 Y C 1.674 177.406 175.900 -0.280 0.000 1.245 176 Y CA -0.496 57.572 58.100 -0.053 0.000 1.462 176 Y CB 0.160 38.553 38.460 -0.112 0.000 1.340 176 Y HN 0.299 nan 8.280 nan 0.000 0.604 177 M N 1.943 121.050 119.600 -0.821 0.000 2.108 177 M HA -0.263 4.219 4.480 0.004 0.000 0.261 177 M C 1.310 177.360 176.300 -0.417 0.000 1.066 177 M CA 2.358 56.966 55.300 -1.153 0.000 1.107 177 M CB -0.159 31.551 32.600 -1.483 0.000 1.356 177 M HN 0.814 nan 8.290 nan 0.000 0.406 178 N N 0.373 118.915 118.700 -0.264 0.000 2.521 178 N HA 0.006 4.748 4.740 0.004 0.000 0.188 178 N C 0.668 176.144 175.510 -0.057 0.000 1.146 178 N CA 1.028 54.000 53.050 -0.131 0.000 0.893 178 N CB -0.489 37.938 38.487 -0.100 0.000 0.975 178 N HN 0.356 nan 8.380 nan 0.000 0.451 179 A N -0.977 121.823 122.820 -0.033 0.000 2.431 179 A HA 0.263 4.586 4.320 0.004 0.000 0.239 179 A C 0.286 177.862 177.584 -0.012 0.000 1.230 179 A CA -0.298 51.732 52.037 -0.013 0.000 0.928 179 A CB -0.023 18.973 19.000 -0.007 0.000 1.006 179 A HN 0.186 nan 8.150 nan 0.000 0.520 180 T N 1.720 116.262 114.554 -0.020 0.000 2.767 180 T HA 0.411 4.763 4.350 0.004 0.000 0.288 180 T C -0.469 174.225 174.700 -0.010 0.000 0.963 180 T CA -0.183 61.907 62.100 -0.016 0.000 1.019 180 T CB 1.091 69.983 68.868 0.039 0.000 0.923 180 T HN 0.427 nan 8.240 nan 0.000 0.468 181 E N 1.722 121.922 120.200 0.000 0.000 2.204 181 E HA 0.595 4.947 4.350 0.004 0.000 0.276 181 E C -0.970 175.661 176.600 0.053 0.000 0.974 181 E CA -0.872 55.542 56.400 0.024 0.000 0.815 181 E CB 1.745 31.460 29.700 0.025 0.000 1.119 181 E HN 0.256 nan 8.360 nan 0.000 0.393 182 V N 2.724 122.684 119.914 0.076 0.000 2.569 182 V HA 0.180 4.302 4.120 0.004 0.000 0.301 182 V C -0.819 175.383 176.094 0.180 0.000 1.044 182 V CA -0.811 61.564 62.300 0.125 0.000 0.874 182 V CB 1.689 33.576 31.823 0.106 0.000 1.002 182 V HN 0.670 nan 8.190 nan 0.000 0.424 183 E N 4.741 125.094 120.200 0.254 0.000 2.063 183 E HA 0.415 4.767 4.350 0.004 0.000 0.265 183 E C -1.378 175.631 176.600 0.682 0.000 0.919 183 E CA -0.412 56.193 56.400 0.341 0.000 0.756 183 E CB 1.502 31.321 29.700 0.198 0.000 1.120 183 E HN 0.474 nan 8.360 nan 0.000 0.414 184 F N 5.675 125.868 119.950 0.405 0.000 2.430 184 F HA 0.454 4.983 4.527 0.003 0.000 0.362 184 F C -1.407 174.623 175.800 0.383 0.000 1.103 184 F CA -1.532 56.661 58.000 0.321 0.000 1.045 184 F CB 0.322 39.405 39.000 0.138 0.000 1.276 184 F HN 0.470 nan 8.300 nan 0.000 0.444 185 W N 5.447 126.673 121.300 -0.123 0.000 3.039 185 W HA 0.803 5.465 4.660 0.003 0.000 0.354 185 W C -2.111 174.271 176.519 -0.228 0.000 1.206 185 W CA -1.528 55.674 57.345 -0.237 0.000 1.134 185 W CB 0.574 29.973 29.460 -0.102 0.000 1.493 185 W HN 0.557 nan 8.180 nan 0.000 0.591 186 Y N 1.378 121.560 120.300 -0.196 0.000 2.425 186 Y HA 0.658 5.210 4.550 0.004 0.000 0.344 186 Y C -1.293 174.542 175.900 -0.109 0.000 0.969 186 Y CA -1.210 56.736 58.100 -0.257 0.000 1.052 186 Y CB 1.459 39.794 38.460 -0.208 0.000 1.215 186 Y HN 0.788 nan 8.280 nan 0.000 0.451 192 T N 1.686 116.139 114.554 -0.169 0.000 2.824 192 T HA 0.690 5.042 4.350 0.004 0.000 0.280 192 T C -0.282 174.266 174.700 -0.252 0.000 0.995 192 T CA -0.275 61.700 62.100 -0.210 0.000 1.009 192 T CB 1.763 70.606 68.868 -0.041 0.000 0.955 192 T HN 0.490 nan 8.240 nan 0.000 0.452 193 T N 1.399 115.667 114.554 -0.476 0.000 2.893 193 T HA 0.526 4.878 4.350 0.004 0.000 0.293 193 T C -1.069 173.533 174.700 -0.163 0.000 1.027 193 T CA -0.546 61.259 62.100 -0.491 0.000 0.988 193 T CB 1.338 69.584 68.868 -1.036 0.000 1.043 193 T HN 0.712 nan 8.240 nan 0.000 0.461 194 c N 3.468 122.080 118.600 0.019 0.000 2.383 194 c HA 0.705 5.277 4.570 0.004 0.000 0.330 194 c C -0.796 173.399 174.090 0.174 0.000 1.168 194 c CA -0.296 56.129 56.329 0.160 0.000 1.374 194 c CB -0.756 41.719 42.510 -0.059 0.000 2.014 194 c HN 0.769 nan 8.230 nan 0.000 0.439 195 V N 7.115 127.212 119.914 0.306 0.000 2.357 195 V HA 0.465 4.587 4.120 0.004 0.000 0.284 195 V C -0.096 176.131 176.094 0.222 0.000 1.018 195 V CA -0.364 62.096 62.300 0.266 0.000 0.841 195 V CB 1.451 33.470 31.823 0.327 0.000 0.991 195 V HN 0.667 nan 8.190 nan 0.000 0.437 196 V N 4.236 124.277 119.914 0.212 0.000 2.370 196 V HA 0.481 4.603 4.120 0.004 0.000 0.283 196 V C 0.281 176.503 176.094 0.212 0.000 1.023 196 V CA -0.230 62.185 62.300 0.192 0.000 0.857 196 V CB 1.947 33.907 31.823 0.228 0.000 0.985 196 V HN 0.912 nan 8.190 nan 0.000 0.443 197 T N 3.622 118.247 114.554 0.119 0.000 2.779 197 T HA 0.541 4.893 4.350 0.004 0.000 0.280 197 T C -0.255 174.470 174.700 0.042 0.000 0.987 197 T CA -0.376 61.791 62.100 0.112 0.000 0.966 197 T CB 1.465 70.382 68.868 0.083 0.000 0.933 197 T HN 0.660 nan 8.240 nan 0.000 0.442 198 S N 1.680 117.431 115.700 0.085 0.000 2.538 198 S HA 0.410 4.883 4.470 0.004 0.000 0.288 198 S C 0.399 175.049 174.600 0.083 0.000 1.108 198 S CA -0.906 57.317 58.200 0.038 0.000 0.971 198 S CB 1.096 64.287 63.200 -0.015 0.000 1.041 198 S HN 0.662 nan 8.310 nan 0.000 0.483 199 R N 1.722 122.250 120.500 0.048 0.000 2.388 199 R HA 0.220 4.562 4.340 0.004 0.000 0.247 199 R C 0.402 176.730 176.300 0.047 0.000 0.931 199 R CA -0.088 56.037 56.100 0.042 0.000 1.082 199 R CB 0.434 30.744 30.300 0.016 0.000 1.135 199 R HN 0.464 nan 8.270 nan 0.000 0.525 200 S N 1.070 116.812 115.700 0.071 0.000 2.681 200 S HA 0.128 4.600 4.470 0.004 0.000 0.299 200 S C 0.836 175.505 174.600 0.115 0.000 1.113 200 S CA -0.890 57.358 58.200 0.079 0.000 1.013 200 S CB 1.010 64.257 63.200 0.078 0.000 1.076 200 S HN 0.388 nan 8.310 nan 0.000 0.534 201 N N 1.890 120.649 118.700 0.098 0.000 2.336 201 N HA 0.014 4.756 4.740 0.004 0.000 0.189 201 N C -0.165 175.406 175.510 0.101 0.000 1.113 201 N CA 0.001 53.107 53.050 0.093 0.000 0.858 201 N CB -0.292 38.237 38.487 0.069 0.000 0.970 201 N HN 0.275 nan 8.380 nan 0.000 0.471 202 V N 2.819 122.811 119.914 0.130 0.000 2.529 202 V HA 0.139 4.261 4.120 0.004 0.000 0.292 202 V C -1.929 174.269 176.094 0.174 0.000 1.028 202 V CA -0.913 61.467 62.300 0.132 0.000 1.074 202 V CB 0.562 32.471 31.823 0.143 0.000 0.958 202 V HN 0.144 nan 8.190 nan 0.000 0.481 203 P HA 0.327 nan 4.420 nan 0.000 0.269 203 P C -0.877 176.475 177.300 0.087 0.000 1.209 203 P CA 0.138 63.248 63.100 0.018 0.000 0.776 203 P CB 0.377 32.050 31.700 -0.044 0.000 0.876 204 F N -1.738 118.158 119.950 -0.090 0.000 2.713 204 F HA 0.764 5.293 4.527 0.003 0.000 0.311 204 F C -1.091 174.645 175.800 -0.107 0.000 1.141 204 F CA -0.967 56.944 58.000 -0.148 0.000 0.939 204 F CB 0.981 39.871 39.000 -0.183 0.000 1.325 204 F HN 0.312 nan 8.300 nan 0.000 0.453 205 T N -0.466 114.105 114.554 0.028 0.000 2.907 205 T HA 0.820 5.172 4.350 0.004 0.000 0.292 205 T C -1.536 173.231 174.700 0.112 0.000 1.043 205 T CA -0.843 61.236 62.100 -0.036 0.000 1.003 205 T CB 1.677 70.508 68.868 -0.061 0.000 1.084 205 T HN 0.800 nan 8.240 nan 0.000 0.483 206 V N 1.895 121.850 119.914 0.069 0.000 2.487 206 V HA 0.596 4.718 4.120 0.004 0.000 0.298 206 V C -0.539 175.578 176.094 0.039 0.000 1.028 206 V CA -0.725 61.634 62.300 0.098 0.000 0.860 206 V CB 1.410 33.310 31.823 0.127 0.000 0.991 206 V HN 1.024 nan 8.190 nan 0.000 0.427 207 E N 4.248 124.480 120.200 0.055 0.000 2.272 207 E HA 0.605 4.958 4.350 0.004 0.000 0.269 207 E C -1.315 175.329 176.600 0.074 0.000 0.877 207 E CA -0.740 55.684 56.400 0.041 0.000 0.755 207 E CB 2.815 32.524 29.700 0.015 0.000 1.192 207 E HN 0.500 nan 8.360 nan 0.000 0.422 208 L N 1.538 122.781 121.223 0.033 0.000 2.399 208 L HA 0.249 4.592 4.340 0.004 0.000 0.266 208 L C 0.764 177.705 176.870 0.118 0.000 1.114 208 L CA -0.543 54.321 54.840 0.039 0.000 0.804 208 L CB 1.089 43.162 42.059 0.024 0.000 1.146 208 L HN 0.598 nan 8.230 nan 0.000 0.451 209 S N 2.197 118.006 115.700 0.183 0.000 3.811 209 S HA 0.290 4.763 4.470 0.004 0.000 0.205 209 S C 0.147 174.809 174.600 0.104 0.000 1.445 209 S CA -0.614 57.701 58.200 0.191 0.000 1.097 209 S CB -0.936 62.438 63.200 0.289 0.000 1.350 209 S HN 0.384 nan 8.310 nan 0.000 0.471 216 A N 4.502 127.315 122.820 -0.012 0.000 2.469 216 A HA 0.918 5.240 4.320 0.004 0.000 0.299 216 A C -1.112 176.464 177.584 -0.014 0.000 1.098 216 A CA -0.743 51.286 52.037 -0.013 0.000 0.737 216 A CB 1.220 20.213 19.000 -0.012 0.000 1.312 216 A HN 0.769 nan 8.150 nan 0.000 0.414 217 I N 1.353 121.914 120.570 -0.014 0.000 2.362 217 I HA 0.434 4.606 4.170 0.004 0.000 0.289 217 I C -0.943 175.167 176.117 -0.011 0.000 0.994 217 I CA -0.797 60.495 61.300 -0.012 0.000 1.158 217 I CB 1.815 39.809 38.000 -0.010 0.000 1.315 217 I HN 0.279 nan 8.210 nan 0.000 0.451 218 V N 4.930 124.836 119.914 -0.014 0.000 2.448 218 V HA 0.450 4.572 4.120 0.004 0.000 0.295 218 V C 0.003 176.088 176.094 -0.014 0.000 1.025 218 V CA -0.408 61.883 62.300 -0.015 0.000 0.859 218 V CB 1.719 33.526 31.823 -0.027 0.000 0.988 218 V HN 0.714 nan 8.190 nan 0.000 0.431 219 T N 3.312 117.863 114.554 -0.005 0.000 2.807 219 T HA 0.398 4.750 4.350 0.004 0.000 0.279 219 T C -0.863 173.830 174.700 -0.012 0.000 0.993 219 T CA -0.369 61.729 62.100 -0.003 0.000 0.970 219 T CB 1.483 70.362 68.868 0.017 0.000 0.950 219 T HN 0.736 nan 8.240 nan 0.000 0.441 220 D N 2.955 123.339 120.400 -0.027 0.000 2.454 220 D HA 0.223 4.865 4.640 0.004 0.000 0.247 220 D C -0.608 175.677 176.300 -0.024 0.000 1.129 220 D CA -0.393 53.578 54.000 -0.049 0.000 0.877 220 D CB 0.906 41.653 40.800 -0.088 0.000 1.082 220 D HN 0.465 nan 8.370 nan 0.000 0.537 221 E N 1.163 121.363 120.200 0.000 0.000 2.166 221 E HA 0.525 4.878 4.350 0.004 0.000 0.275 221 E C -0.606 176.005 176.600 0.019 0.000 0.941 221 E CA -0.746 55.662 56.400 0.014 0.000 0.784 221 E CB 1.652 31.370 29.700 0.031 0.000 1.115 221 E HN 0.418 nan 8.360 nan 0.000 0.399 222 S N 1.162 116.872 115.700 0.016 0.000 2.541 222 S HA 0.676 5.148 4.470 0.004 0.000 0.271 222 S C -0.422 174.192 174.600 0.023 0.000 1.133 222 S CA -0.849 57.364 58.200 0.023 0.000 0.876 222 S CB 1.802 65.007 63.200 0.009 0.000 1.105 222 S HN 0.486 nan 8.310 nan 0.000 0.470 223 T N -1.672 112.899 114.554 0.029 0.000 2.864 223 T HA 0.593 4.946 4.350 0.004 0.000 0.289 223 T C 1.399 176.114 174.700 0.024 0.000 1.082 223 T CA -0.225 61.888 62.100 0.022 0.000 1.009 223 T CB 0.609 69.489 68.868 0.020 0.000 1.234 223 T HN 1.575 nan 8.240 nan 0.000 0.526 224 V N -1.384 118.540 119.914 0.016 0.000 2.867 224 V HA -0.015 4.107 4.120 0.004 0.000 0.260 224 V C 1.276 177.387 176.094 0.028 0.000 1.099 224 V CA 1.716 64.028 62.300 0.020 0.000 1.122 224 V CB -0.934 30.892 31.823 0.005 0.000 0.708 224 V HN 0.812 nan 8.190 nan 0.000 0.490 225 D N 0.161 120.575 120.400 0.024 0.000 2.355 225 D HA 0.204 4.846 4.640 0.004 0.000 0.206 225 D C 0.816 177.139 176.300 0.038 0.000 1.010 225 D CA 1.270 55.284 54.000 0.024 0.000 0.875 225 D CB 1.036 41.844 40.800 0.013 0.000 0.966 225 D HN 0.784 nan 8.370 nan 0.000 0.512 226 C N -0.947 118.384 119.300 0.051 0.000 3.275 226 C HA 0.614 5.076 4.460 0.004 0.000 0.340 226 C C -1.674 173.372 174.990 0.094 0.000 1.366 226 C CA -1.009 58.053 59.018 0.074 0.000 1.227 226 C CB 1.578 29.357 27.740 0.065 0.000 1.512 226 C HN -0.007 nan 8.230 nan 0.000 0.461 227 Q N 0.760 120.649 119.800 0.148 0.000 2.353 227 Q HA 0.766 5.108 4.340 0.004 0.000 0.268 227 Q C -1.270 174.858 176.000 0.214 0.000 1.045 227 Q CA -0.481 55.423 55.803 0.168 0.000 0.811 227 Q CB 2.560 31.440 28.738 0.236 0.000 1.305 227 Q HN 0.720 nan 8.270 nan 0.000 0.447 228 I N 3.413 124.071 120.570 0.147 0.000 2.439 228 I HA 0.284 4.456 4.170 0.004 0.000 0.283 228 I C -1.317 174.875 176.117 0.124 0.000 1.023 228 I CA -0.766 60.630 61.300 0.160 0.000 1.100 228 I CB 1.157 39.226 38.000 0.115 0.000 1.238 228 I HN 0.304 nan 8.210 nan 0.000 0.445 229 L N 6.163 127.493 121.223 0.178 0.000 2.305 229 L HA 0.521 4.863 4.340 0.004 0.000 0.284 229 L C 0.021 176.964 176.870 0.123 0.000 1.013 229 L CA 0.055 54.949 54.840 0.090 0.000 0.819 229 L CB 1.810 43.865 42.059 -0.006 0.000 1.227 229 L HN 0.467 nan 8.230 nan 0.000 0.417 230 T N 2.612 117.212 114.554 0.078 0.000 2.807 230 T HA 0.604 4.956 4.350 0.004 0.000 0.279 230 T C -0.931 173.793 174.700 0.040 0.000 0.993 230 T CA -0.500 61.650 62.100 0.082 0.000 0.970 230 T CB 1.964 70.885 68.868 0.089 0.000 0.950 230 T HN 0.294 nan 8.240 nan 0.000 0.441 231 V N 5.258 125.188 119.914 0.028 0.000 2.443 231 V HA 0.688 4.810 4.120 0.004 0.000 0.293 231 V C -1.063 175.019 176.094 -0.020 0.000 1.021 231 V CA -0.768 61.532 62.300 0.001 0.000 0.848 231 V CB 1.039 32.860 31.823 -0.004 0.000 0.998 231 V HN 0.897 nan 8.190 nan 0.000 0.424 232 K N 5.589 125.972 120.400 -0.029 0.000 2.316 232 K HA 0.919 5.241 4.320 0.004 0.000 0.251 232 K C -0.937 175.641 176.600 -0.037 0.000 0.934 232 K CA -0.716 55.538 56.287 -0.054 0.000 0.802 232 K CB 2.608 35.063 32.500 -0.076 0.000 1.171 232 K HN 0.777 nan 8.250 nan 0.000 0.426 233 A N 3.784 126.581 122.820 -0.038 0.000 2.409 233 A HA 0.417 4.739 4.320 0.004 0.000 0.300 233 A C -2.579 174.985 177.584 -0.034 0.000 1.273 233 A CA -1.681 50.342 52.037 -0.024 0.000 0.774 233 A CB 0.624 19.620 19.000 -0.006 0.000 1.144 233 A HN 0.603 nan 8.150 nan 0.000 0.472 234 P HA 0.229 nan 4.420 nan 0.000 0.268 234 P C 0.944 178.229 177.300 -0.025 0.000 1.204 234 P CA 1.483 64.564 63.100 -0.032 0.000 0.768 234 P CB 0.970 32.656 31.700 -0.023 0.000 0.842 235 G N 1.420 110.203 108.800 -0.028 0.000 2.203 235 G HA2 -0.240 3.722 3.960 0.004 0.000 0.263 235 G HA3 -0.240 3.722 3.960 0.004 0.000 0.263 235 G C 0.273 175.163 174.900 -0.017 0.000 1.012 235 G CA 0.437 45.525 45.100 -0.021 0.000 0.749 235 G HN 0.833 nan 8.290 nan 0.000 0.512 236 S N -1.212 114.476 115.700 -0.020 0.000 2.541 236 S HA 0.658 5.131 4.470 0.004 0.000 0.283 236 S C 0.653 175.247 174.600 -0.010 0.000 1.196 236 S CA 0.946 59.142 58.200 -0.006 0.000 1.062 236 S CB 1.133 64.336 63.200 0.005 0.000 1.009 236 S HN 1.658 nan 8.310 nan 0.000 0.502 237 H N 1.267 120.340 119.070 0.004 0.000 2.481 237 H HA 0.768 5.326 4.556 0.004 0.000 0.273 237 H C 0.578 175.926 175.328 0.032 0.000 1.145 237 H CA -0.074 55.974 56.048 -0.001 0.000 0.964 237 H CB -0.395 29.363 29.762 -0.006 0.000 1.722 237 H HN 1.064 nan 8.280 nan 0.000 0.573 238 A N 0.406 123.269 122.820 0.072 0.000 2.540 238 A HA 0.274 4.597 4.320 0.004 0.000 0.239 238 A C 0.984 178.695 177.584 0.213 0.000 1.061 238 A CA -0.058 52.062 52.037 0.140 0.000 0.758 238 A CB 0.446 19.544 19.000 0.164 0.000 0.991 238 A HN 0.631 nan 8.150 nan 0.000 0.502 239 Q N 0.709 120.633 119.800 0.206 0.000 2.281 239 Q HA 0.137 4.479 4.340 0.004 0.000 0.215 239 Q C -0.135 176.062 176.000 0.329 0.000 0.867 239 Q CA 0.667 56.589 55.803 0.198 0.000 0.940 239 Q CB 0.591 29.389 28.738 0.101 0.000 1.111 239 Q HN 0.758 nan 8.270 nan 0.000 0.513 240 R N -0.525 120.141 120.500 0.276 0.000 2.621 240 R HA 0.448 4.791 4.340 0.004 0.000 0.284 240 R C -1.356 174.723 176.300 -0.369 0.000 0.998 240 R CA -0.324 55.766 56.100 -0.018 0.000 0.895 240 R CB 2.210 32.391 30.300 -0.197 0.000 1.195 240 R HN -0.009 nan 8.270 nan 0.000 0.450 241 c N 4.301 122.418 118.600 -0.807 0.000 2.301 241 c HA 0.581 5.153 4.570 0.004 0.000 0.323 241 c C -0.953 172.854 174.090 -0.472 0.000 1.265 241 c CA -0.668 55.195 56.329 -0.777 0.000 1.503 241 c CB -0.470 41.285 42.510 -1.258 0.000 2.195 241 c HN 0.771 nan 8.230 nan 0.000 0.477 242 Y N 4.000 124.211 120.300 -0.149 0.000 2.361 242 Y HA 0.606 5.158 4.550 0.003 0.000 0.332 242 Y C 0.330 176.225 175.900 -0.008 0.000 1.101 242 Y CA -0.505 57.569 58.100 -0.043 0.000 1.137 242 Y CB 1.414 39.858 38.460 -0.026 0.000 1.207 242 Y HN 0.426 nan 8.280 nan 0.000 0.463 243 V N 2.817 122.844 119.914 0.188 0.000 2.443 243 V HA 0.427 4.550 4.120 0.004 0.000 0.293 243 V C -0.571 175.527 176.094 0.007 0.000 1.021 243 V CA -0.779 61.599 62.300 0.131 0.000 0.848 243 V CB 1.686 33.609 31.823 0.167 0.000 0.998 243 V HN 0.835 nan 8.190 nan 0.000 0.424 244 T N 3.067 117.571 114.554 -0.084 0.000 2.786 244 T HA 0.416 4.768 4.350 0.004 0.000 0.283 244 T C -0.128 174.347 174.700 -0.375 0.000 0.992 244 T CA -0.348 61.616 62.100 -0.227 0.000 0.954 244 T CB 1.543 70.358 68.868 -0.089 0.000 0.934 244 T HN 0.616 nan 8.240 nan 0.000 0.440 245 S N 1.707 116.936 115.700 -0.786 0.000 2.489 245 S HA 0.311 4.783 4.470 0.004 0.000 0.291 245 S C 1.448 175.835 174.600 -0.354 0.000 1.151 245 S CA -0.722 57.048 58.200 -0.717 0.000 1.082 245 S CB 0.943 63.216 63.200 -1.545 0.000 1.019 245 S HN 0.605 nan 8.310 nan 0.000 0.492 246 S N 3.594 119.200 115.700 -0.157 0.000 2.440 246 S HA -0.106 4.366 4.470 0.004 0.000 0.238 246 S C 1.585 176.163 174.600 -0.036 0.000 1.010 246 S CA 0.826 58.984 58.200 -0.070 0.000 0.972 246 S CB -0.416 62.770 63.200 -0.022 0.000 0.774 246 S HN 0.697 nan 8.310 nan 0.000 0.501 247 L N 1.022 122.225 121.223 -0.033 0.000 2.353 247 L HA 0.102 4.444 4.340 0.004 0.000 0.220 247 L C 1.389 178.323 176.870 0.107 0.000 1.133 247 L CA 1.394 56.291 54.840 0.095 0.000 0.798 247 L CB -0.579 41.631 42.059 0.253 0.000 0.922 247 L HN 0.437 nan 8.230 nan 0.000 0.445 248 G N -2.224 106.582 108.800 0.010 0.000 2.181 248 G HA2 -0.169 3.793 3.960 0.004 0.000 0.152 248 G HA3 -0.169 3.793 3.960 0.004 0.000 0.152 248 G C -0.295 174.694 174.900 0.149 0.000 1.026 248 G CA -0.150 44.985 45.100 0.057 0.000 0.699 248 G HN 0.400 nan 8.290 nan 0.000 0.497 249 W N -0.473 120.851 121.300 0.039 0.000 2.962 249 W HA 0.850 5.512 4.660 0.003 0.000 0.341 249 W C -1.001 175.544 176.519 0.043 0.000 1.155 249 W CA -1.567 55.795 57.345 0.028 0.000 1.165 249 W CB 1.470 30.936 29.460 0.011 0.000 1.435 249 W HN 0.154 nan 8.180 nan 0.000 0.546 250 K N 1.270 121.953 120.400 0.471 0.000 2.482 250 K HA 0.617 4.939 4.320 0.004 0.000 0.251 250 K C -0.604 176.273 176.600 0.462 0.000 0.936 250 K CA -0.363 56.139 56.287 0.358 0.000 0.791 250 K CB 2.123 34.736 32.500 0.188 0.000 1.213 250 K HN 0.825 nan 8.250 nan 0.000 0.428 251 G N 1.229 110.313 108.800 0.474 0.000 2.680 251 G HA2 0.662 4.624 3.960 0.004 0.000 0.290 251 G HA3 0.662 4.624 3.960 0.004 0.000 0.290 251 G C -1.554 173.436 174.900 0.149 0.000 1.355 251 G CA -0.575 44.699 45.100 0.290 0.000 0.903 251 G HN 0.373 nan 8.290 nan 0.000 0.474 252 V N -0.324 119.591 119.914 0.002 0.000 2.789 252 V HA 0.648 4.770 4.120 0.004 0.000 0.311 252 V C -0.540 175.483 176.094 -0.118 0.000 1.073 252 V CA -0.793 61.387 62.300 -0.200 0.000 0.921 252 V CB 1.901 33.525 31.823 -0.332 0.000 1.009 252 V HN 0.580 nan 8.190 nan 0.000 0.426 253 V N 2.741 122.566 119.914 -0.149 0.000 2.409 253 V HA 0.821 4.943 4.120 0.004 0.000 0.291 253 V C -0.127 176.036 176.094 0.114 0.000 1.020 253 V CA -0.069 62.235 62.300 0.006 0.000 0.848 253 V CB 1.714 33.580 31.823 0.072 0.000 0.990 253 V HN 1.049 nan 8.190 nan 0.000 0.430 254 T N 5.979 120.625 114.554 0.154 0.000 3.047 254 T HA 0.562 4.914 4.350 0.004 0.000 0.340 254 T C -2.927 171.831 174.700 0.097 0.000 1.421 254 T CA -0.649 61.562 62.100 0.184 0.000 1.090 254 T CB 2.092 71.012 68.868 0.087 0.000 1.292 254 T HN 0.629 nan 8.240 nan 0.000 0.480 255 P HA 0.570 nan 4.420 nan 0.000 0.280 255 P C -2.857 174.369 177.300 -0.123 0.000 1.272 255 P CA -1.636 61.478 63.100 0.022 0.000 0.819 255 P CB -0.203 31.486 31.700 -0.019 0.000 1.122 256 P HA -0.004 nan 4.420 nan 0.000 0.264 256 P C 0.341 177.462 177.300 -0.299 0.000 1.193 256 P CA 0.298 62.929 63.100 -0.783 0.000 0.763 256 P CB 0.420 31.542 31.700 -0.962 0.000 0.810 257 S N 2.182 117.791 115.700 -0.152 0.000 2.634 257 S HA 0.296 4.769 4.470 0.004 0.000 0.261 257 S C 1.674 176.218 174.600 -0.093 0.000 1.271 257 S CA 0.534 58.704 58.200 -0.050 0.000 0.985 257 S CB 0.312 63.546 63.200 0.056 0.000 0.968 257 S HN 0.530 nan 8.310 nan 0.000 0.568 258 Q N 0.066 119.706 119.800 -0.267 0.000 2.402 258 Q HA 0.275 4.617 4.340 0.004 0.000 0.206 258 Q C -0.329 175.324 176.000 -0.578 0.000 0.919 258 Q CA 0.783 56.291 55.803 -0.493 0.000 0.923 258 Q CB -0.323 27.932 28.738 -0.805 0.000 1.048 258 Q HN 0.772 nan 8.270 nan 0.000 0.515 259 Y N -1.014 119.299 120.300 0.020 0.000 2.509 259 Y HA 0.542 5.094 4.550 0.003 0.000 0.341 259 Y C 0.177 175.886 175.900 -0.317 0.000 1.038 259 Y CA -1.921 56.101 58.100 -0.130 0.000 1.089 259 Y CB 1.789 40.187 38.460 -0.103 0.000 1.241 259 Y HN 0.152 nan 8.280 nan 0.000 0.468 260 R N 1.624 121.822 120.500 -0.504 0.000 2.351 260 R HA 0.288 4.630 4.340 0.004 0.000 0.321 260 R C -0.760 175.353 176.300 -0.311 0.000 1.182 260 R CA 0.232 55.855 56.100 -0.795 0.000 1.011 260 R CB -0.124 29.483 30.300 -1.155 0.000 1.048 260 R HN 0.802 nan 8.270 nan 0.000 0.490 261 T N 2.806 117.274 114.554 -0.143 0.000 2.893 261 T HA 0.319 4.672 4.350 0.004 0.000 0.293 261 T C -0.895 173.804 174.700 -0.001 0.000 1.027 261 T CA -0.861 61.208 62.100 -0.051 0.000 0.988 261 T CB 1.072 69.940 68.868 -0.000 0.000 1.043 261 T HN 0.502 nan 8.240 nan 0.000 0.461 262 K N 3.555 123.955 120.400 -0.001 0.000 2.276 262 K HA 0.535 4.857 4.320 0.004 0.000 0.283 262 K C 0.228 176.848 176.600 0.034 0.000 1.044 262 K CA -0.562 55.741 56.287 0.027 0.000 0.944 262 K CB 0.798 33.306 32.500 0.014 0.000 1.012 262 K HN 0.481 nan 8.250 nan 0.000 0.472 263 R N 0.811 121.344 120.500 0.055 0.000 2.888 263 R HA 0.453 4.795 4.340 0.004 0.000 0.264 263 R C -0.726 175.594 176.300 0.033 0.000 1.045 263 R CA -1.119 55.008 56.100 0.045 0.000 0.962 263 R CB 1.398 31.738 30.300 0.067 0.000 1.210 263 R HN 0.399 nan 8.270 nan 0.000 0.479 264 V N -1.036 118.884 119.914 0.009 0.000 2.532 264 V HA 0.519 4.641 4.120 0.004 0.000 0.295 264 V C -2.444 173.639 176.094 -0.018 0.000 1.041 264 V CA -2.563 59.728 62.300 -0.015 0.000 0.926 264 V CB 1.132 32.926 31.823 -0.048 0.000 0.992 264 V HN 0.548 nan 8.190 nan 0.000 0.457 265 P HA 0.263 nan 4.420 nan 0.000 0.269 265 P C -0.574 176.692 177.300 -0.058 0.000 1.209 265 P CA -0.030 63.064 63.100 -0.011 0.000 0.776 265 P CB 0.686 32.426 31.700 0.067 0.000 0.876 266 V N 2.844 122.739 119.914 -0.032 0.000 2.472 266 V HA 0.194 4.316 4.120 0.004 0.000 0.290 266 V C 0.740 176.824 176.094 -0.016 0.000 1.037 266 V CA -0.746 61.531 62.300 -0.038 0.000 0.908 266 V CB 1.136 32.946 31.823 -0.022 0.000 0.985 266 V HN 0.556 nan 8.190 nan 0.000 0.454 267 N N 2.699 121.381 118.700 -0.031 0.000 2.429 267 N HA 0.428 5.170 4.740 0.004 0.000 0.271 267 N C -0.425 175.112 175.510 0.044 0.000 1.272 267 N CA 0.316 53.370 53.050 0.008 0.000 0.921 267 N CB 0.128 38.601 38.487 -0.024 0.000 1.128 267 N HN 0.766 nan 8.380 nan 0.000 0.481 268 I N 0.000 120.626 120.570 0.093 0.000 2.984 268 I HA 0.000 4.172 4.170 0.004 0.000 0.288 268 I CA 0.000 61.365 61.300 0.109 0.000 1.566 268 I CB 0.000 38.048 38.000 0.081 0.000 1.214 268 I HN 0.000 nan 8.210 nan 0.000 0.494