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 2hdi_1_A DATA FIRST_RESID 31 DATA SEQUENCE ETMVVTASSV EQNLKDAPAS ISVITQEDLQ RKPVQNLKDV LKEVPGVQLT DATA SEQUENCE NEGDNRKGVS IRGLDSSYTL ILVDGKRVNS RNAVFRHNDF DLNWIPVDSI DATA SEQUENCE ERIEVVRGPM SSLYGSDALG GVVNIITKKI GQKWSGTVTV DTTIQEHRDR DATA SEQUENCE GDTYNGQFFT SGPLIDGVLG MKAYGSLAKR EKDDXXXXXX XXXXXXXXXE DATA SEQUENCE GFSSRDGNVE FAWTPNQNHD FTAGYGFDRQ DRDSXXXXXN RLERQNYSVS DATA SEQUENCE HNGRWDYGTS ELKYYGEKVE NKNPGNSSPI TSESNTVDGK YTLPLTAINQ DATA SEQUENCE FLTVGGEMRH DKMSDAVNLT GGTSSKTSAS QYALFVEDEW RIFEPLALTT DATA SEQUENCE GVRMDDHETY GEHWSPRAYL VYNATDTVTV KGGWATAFKA PSLLQLSPDW DATA SEQUENCE TSNScRGAcK IVGSPDLKPE TSESWELGLY YMGEEGWLEG VESSVTVFRN DATA SEQUENCE DVKDRISISR TSDVNAAPGY QNFVGFETGA NGRRIPVFSY YNVNKARIQG DATA SEQUENCE VETELKIPFN DEWKLSINYT YNDGRDVSNG ENKPLSDLPF HTANGTLDWK DATA SEQUENCE PLALEDWSMY MSGHYTGQKX XXXXXXXXXG GYTIWNTGAA WQVTKDVKLR DATA SEQUENCE AGVLNLGDKD LSRXXXXXNE DGRRYFMAVD YRF 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 31 E HA 0.000 nan 4.350 nan 0.000 0.291 31 E C 0.000 176.567 176.600 -0.054 0.000 1.382 31 E CA 0.000 56.371 56.400 -0.048 0.000 0.976 31 E CB 0.000 29.673 29.700 -0.045 0.000 0.812 32 T N 4.976 119.496 114.554 -0.056 0.000 2.761 32 T HA 0.382 4.722 4.350 -0.017 0.000 0.296 32 T C 0.330 174.989 174.700 -0.069 0.000 0.934 32 T CA -0.527 61.535 62.100 -0.063 0.000 1.091 32 T CB 0.114 68.947 68.868 -0.059 0.000 0.896 32 T HN 0.286 nan 8.240 nan 0.000 0.515 33 M N 4.063 123.618 119.600 -0.074 0.000 2.233 33 M HA 0.480 4.950 4.480 -0.017 0.000 0.355 33 M C 0.107 176.356 176.300 -0.085 0.000 1.191 33 M CA -1.011 54.240 55.300 -0.081 0.000 1.101 33 M CB 1.020 33.571 32.600 -0.082 0.000 1.592 33 M HN 0.534 nan 8.290 nan 0.000 0.461 34 V N 1.663 121.524 119.914 -0.088 0.000 2.864 34 V HA 0.802 4.912 4.120 -0.017 0.000 0.314 34 V C 0.175 176.217 176.094 -0.086 0.000 1.073 34 V CA -0.731 61.517 62.300 -0.086 0.000 0.956 34 V CB 1.851 33.624 31.823 -0.084 0.000 1.023 34 V HN 0.743 nan 8.190 nan 0.000 0.435 35 V N -1.593 118.277 119.914 -0.073 0.000 3.502 35 V HA 0.246 4.356 4.120 -0.017 0.000 0.288 35 V C 1.190 177.274 176.094 -0.018 0.000 1.461 35 V CA 1.188 63.453 62.300 -0.057 0.000 1.029 35 V CB -0.139 31.650 31.823 -0.055 0.000 0.843 35 V HN 0.911 nan 8.190 nan 0.000 0.438 36 T N 0.719 115.261 114.554 -0.020 0.000 3.037 36 T HA 0.397 4.737 4.350 -0.017 0.000 0.251 36 T C 1.929 176.654 174.700 0.043 0.000 1.079 36 T CA 1.067 63.193 62.100 0.044 0.000 1.067 36 T CB 0.497 69.342 68.868 -0.037 0.000 0.948 36 T HN 0.618 nan 8.240 nan 0.000 0.496 37 A N 1.821 124.612 122.820 -0.048 0.000 2.067 37 A HA 0.351 4.661 4.320 -0.017 0.000 0.217 37 A C 1.396 178.903 177.584 -0.127 0.000 1.156 37 A CA 0.807 52.781 52.037 -0.105 0.000 0.683 37 A CB -0.108 18.801 19.000 -0.151 0.000 0.808 37 A HN 0.540 nan 8.150 nan 0.000 0.455 38 S N -2.663 112.970 115.700 -0.110 0.000 2.643 38 S HA 0.363 4.823 4.470 -0.017 0.000 0.270 38 S C 0.539 175.067 174.600 -0.121 0.000 1.166 38 S CA 0.353 58.478 58.200 -0.125 0.000 0.815 38 S CB 0.688 63.821 63.200 -0.112 0.000 1.139 38 S HN 0.776 nan 8.310 nan 0.000 0.472 39 S N -0.310 115.328 115.700 -0.104 0.000 2.603 39 S HA 0.220 4.680 4.470 -0.017 0.000 0.229 39 S C 0.355 174.925 174.600 -0.049 0.000 0.972 39 S CA 0.241 58.408 58.200 -0.055 0.000 0.935 39 S CB -0.641 62.602 63.200 0.072 0.000 0.769 39 S HN 0.871 nan 8.310 nan 0.000 0.536 40 V N 1.919 121.769 119.914 -0.108 0.000 2.448 40 V HA 0.384 4.494 4.120 -0.017 0.000 0.295 40 V C -0.025 175.957 176.094 -0.187 0.000 1.025 40 V CA -1.102 61.090 62.300 -0.179 0.000 0.859 40 V CB 1.554 33.172 31.823 -0.342 0.000 0.988 40 V HN 0.434 nan 8.190 nan 0.000 0.431 41 E N 5.239 125.341 120.200 -0.162 0.000 2.415 41 E HA 0.197 4.537 4.350 -0.017 0.000 0.260 41 E C -0.267 176.229 176.600 -0.173 0.000 1.016 41 E CA 0.030 56.344 56.400 -0.143 0.000 0.924 41 E CB 0.505 30.135 29.700 -0.116 0.000 0.961 41 E HN 0.802 nan 8.360 nan 0.000 0.459 42 Q N 3.583 123.294 119.800 -0.149 0.000 2.565 42 Q HA 0.300 4.630 4.340 -0.017 0.000 0.294 42 Q C -0.824 175.111 176.000 -0.109 0.000 1.005 42 Q CA -1.123 54.592 55.803 -0.146 0.000 0.771 42 Q CB 0.602 29.241 28.738 -0.166 0.000 1.486 42 Q HN 0.386 nan 8.270 nan 0.000 0.422 43 N N 0.706 119.349 118.700 -0.094 0.000 2.458 43 N HA -0.042 4.687 4.740 -0.017 0.000 0.258 43 N C 0.767 176.223 175.510 -0.090 0.000 1.219 43 N CA -0.007 52.995 53.050 -0.081 0.000 0.902 43 N CB 0.968 39.414 38.487 -0.068 0.000 1.076 43 N HN 0.731 nan 8.380 nan 0.000 0.455 44 L N 4.944 126.116 121.223 -0.085 0.000 2.043 44 L HA -0.145 4.185 4.340 -0.017 0.000 0.212 44 L C 2.209 179.010 176.870 -0.115 0.000 1.075 44 L CA 1.884 56.669 54.840 -0.090 0.000 0.752 44 L CB -0.543 41.475 42.059 -0.068 0.000 0.891 44 L HN 0.689 nan 8.230 nan 0.000 0.432 45 K N -1.028 119.307 120.400 -0.107 0.000 2.211 45 K HA -0.180 4.130 4.320 -0.017 0.000 0.204 45 K C 0.731 177.245 176.600 -0.144 0.000 1.047 45 K CA 1.689 57.897 56.287 -0.131 0.000 0.935 45 K CB -0.047 32.395 32.500 -0.096 0.000 0.728 45 K HN 0.459 nan 8.250 nan 0.000 0.452 46 D N -0.189 120.145 120.400 -0.110 0.000 2.398 46 D HA 0.091 4.721 4.640 -0.017 0.000 0.210 46 D C -0.321 175.925 176.300 -0.089 0.000 1.094 46 D CA 0.062 54.014 54.000 -0.080 0.000 0.839 46 D CB 0.582 41.350 40.800 -0.053 0.000 0.963 46 D HN 0.186 nan 8.370 nan 0.000 0.506 47 A N 2.650 125.394 122.820 -0.127 0.000 2.522 47 A HA 0.249 4.559 4.320 -0.017 0.000 0.256 47 A C -1.826 175.643 177.584 -0.191 0.000 1.086 47 A CA -0.749 51.199 52.037 -0.148 0.000 0.763 47 A CB 0.209 19.122 19.000 -0.145 0.000 1.024 47 A HN -0.110 nan 8.150 nan 0.000 0.502 48 P HA 0.339 nan 4.420 nan 0.000 0.228 48 P C -0.291 176.268 177.300 -1.236 0.000 1.748 48 P CA 0.806 63.544 63.100 -0.603 0.000 0.909 48 P CB -0.280 31.229 31.700 -0.319 0.000 1.882 49 A N -0.569 121.823 122.820 -0.713 0.000 2.599 49 A HA 0.562 4.872 4.320 -0.017 0.000 0.290 49 A C -0.575 176.954 177.584 -0.093 0.000 1.101 49 A CA -0.497 51.267 52.037 -0.456 0.000 0.674 49 A CB 0.646 19.483 19.000 -0.272 0.000 1.277 49 A HN -0.088 nan 8.150 nan 0.000 0.419 50 S N 0.790 116.510 115.700 0.034 0.000 2.681 50 S HA 0.429 4.889 4.470 -0.017 0.000 0.313 50 S C -0.320 174.295 174.600 0.025 0.000 1.137 50 S CA 0.080 58.343 58.200 0.105 0.000 1.045 50 S CB -0.697 62.569 63.200 0.109 0.000 1.208 50 S HN 0.537 nan 8.310 nan 0.000 0.523 51 I N 2.570 123.154 120.570 0.025 0.000 2.465 51 I HA 0.462 4.622 4.170 -0.017 0.000 0.291 51 I C -0.560 175.566 176.117 0.014 0.000 1.014 51 I CA -0.139 61.152 61.300 -0.015 0.000 1.093 51 I CB 1.642 39.607 38.000 -0.058 0.000 1.267 51 I HN 0.388 nan 8.210 nan 0.000 0.431 52 S N 5.362 121.057 115.700 -0.008 0.000 2.568 52 S HA 0.645 5.105 4.470 -0.017 0.000 0.302 52 S C -0.944 173.636 174.600 -0.033 0.000 1.082 52 S CA -0.623 57.574 58.200 -0.004 0.000 1.009 52 S CB 2.212 65.410 63.200 -0.004 0.000 1.069 52 S HN 0.391 nan 8.310 nan 0.000 0.500 53 V N 2.726 122.620 119.914 -0.033 0.000 2.409 53 V HA 0.404 4.514 4.120 -0.017 0.000 0.291 53 V C -0.525 175.535 176.094 -0.056 0.000 1.020 53 V CA -0.556 61.712 62.300 -0.054 0.000 0.848 53 V CB 1.292 33.080 31.823 -0.058 0.000 0.990 53 V HN 0.779 nan 8.190 nan 0.000 0.430 54 I N 5.529 126.056 120.570 -0.071 0.000 2.363 54 I HA 0.199 4.359 4.170 -0.017 0.000 0.292 54 I C 1.146 177.207 176.117 -0.093 0.000 1.075 54 I CA 0.155 61.408 61.300 -0.078 0.000 1.333 54 I CB 1.161 39.109 38.000 -0.087 0.000 1.415 54 I HN 0.756 nan 8.210 nan 0.000 0.502 55 T N 1.435 115.937 114.554 -0.086 0.000 2.788 55 T HA 0.099 4.439 4.350 -0.017 0.000 0.280 55 T C 0.843 175.475 174.700 -0.114 0.000 0.984 55 T CA -0.516 61.527 62.100 -0.095 0.000 0.972 55 T CB 1.356 70.178 68.868 -0.077 0.000 1.039 55 T HN 0.553 nan 8.240 nan 0.000 0.530 56 Q N 0.112 119.839 119.800 -0.123 0.000 2.112 56 Q HA -0.186 4.143 4.340 -0.017 0.000 0.206 56 Q C 2.211 178.140 176.000 -0.119 0.000 0.987 56 Q CA 2.327 58.048 55.803 -0.137 0.000 0.858 56 Q CB -0.434 28.221 28.738 -0.138 0.000 0.905 56 Q HN 0.889 nan 8.270 nan 0.000 0.420 57 E N -0.578 119.564 120.200 -0.096 0.000 2.051 57 E HA -0.219 4.121 4.350 -0.017 0.000 0.192 57 E C 1.239 177.778 176.600 -0.100 0.000 0.991 57 E CA 1.444 57.794 56.400 -0.084 0.000 0.799 57 E CB -0.062 29.602 29.700 -0.060 0.000 0.748 57 E HN 0.470 nan 8.360 nan 0.000 0.449 58 D N 0.509 120.849 120.400 -0.101 0.000 2.182 58 D HA -0.163 4.466 4.640 -0.017 0.000 0.201 58 D C 2.054 178.273 176.300 -0.134 0.000 0.986 58 D CA 0.784 54.715 54.000 -0.115 0.000 0.847 58 D CB -0.191 40.552 40.800 -0.095 0.000 0.942 58 D HN 0.295 nan 8.370 nan 0.000 0.467 59 L N 0.169 121.312 121.223 -0.133 0.000 2.217 59 L HA -0.084 4.245 4.340 -0.017 0.000 0.211 59 L C 2.143 178.929 176.870 -0.141 0.000 1.107 59 L CA 0.755 55.509 54.840 -0.143 0.000 0.783 59 L CB -0.088 41.876 42.059 -0.157 0.000 0.919 59 L HN -0.069 nan 8.230 nan 0.000 0.442 60 Q N -0.605 119.118 119.800 -0.128 0.000 2.396 60 Q HA -0.003 4.327 4.340 -0.017 0.000 0.209 60 Q C 1.996 177.942 176.000 -0.089 0.000 0.906 60 Q CA 0.234 55.974 55.803 -0.105 0.000 0.927 60 Q CB 0.225 28.909 28.738 -0.090 0.000 1.069 60 Q HN 0.386 nan 8.270 nan 0.000 0.523 61 R N 1.571 121.992 120.500 -0.130 0.000 2.103 61 R HA -0.122 4.208 4.340 -0.017 0.000 0.242 61 R C 0.596 176.827 176.300 -0.115 0.000 1.142 61 R CA 1.308 57.300 56.100 -0.181 0.000 0.960 61 R CB 0.234 30.305 30.300 -0.383 0.000 0.858 61 R HN -0.038 nan 8.270 nan 0.000 0.439 62 K N 0.006 120.300 120.400 -0.176 0.000 2.498 62 K HA 0.351 4.661 4.320 -0.017 0.000 0.254 62 K C -2.842 173.561 176.600 -0.329 0.000 0.933 62 K CA -2.090 54.036 56.287 -0.268 0.000 0.806 62 K CB 2.414 34.794 32.500 -0.201 0.000 1.301 62 K HN -0.217 nan 8.250 nan 0.000 0.432 63 P HA -0.038 nan 4.420 nan 0.000 0.261 63 P C -1.147 176.015 177.300 -0.230 0.000 1.183 63 P CA -0.243 62.674 63.100 -0.305 0.000 0.761 63 P CB 0.597 32.100 31.700 -0.328 0.000 0.785 64 V N 4.955 124.782 119.914 -0.145 0.000 2.409 64 V HA 0.155 4.265 4.120 -0.017 0.000 0.291 64 V C 0.872 176.930 176.094 -0.060 0.000 1.020 64 V CA -0.297 61.939 62.300 -0.106 0.000 0.848 64 V CB 1.640 33.397 31.823 -0.111 0.000 0.990 64 V HN 0.492 nan 8.190 nan 0.000 0.430 65 Q N 2.125 121.911 119.800 -0.023 0.000 2.389 65 Q HA 0.204 4.534 4.340 -0.017 0.000 0.198 65 Q C 0.634 176.655 176.000 0.034 0.000 0.967 65 Q CA 0.411 56.234 55.803 0.034 0.000 0.863 65 Q CB 0.050 28.846 28.738 0.096 0.000 0.987 65 Q HN 0.621 nan 8.270 nan 0.000 0.557 66 N N 1.261 119.974 118.700 0.022 0.000 2.438 66 N HA 0.202 4.932 4.740 -0.017 0.000 0.282 66 N C 0.768 176.263 175.510 -0.024 0.000 1.037 66 N CA -0.020 53.029 53.050 -0.002 0.000 0.942 66 N CB 1.482 39.962 38.487 -0.012 0.000 1.136 66 N HN 0.083 nan 8.380 nan 0.000 0.481 67 L N 3.159 124.373 121.223 -0.015 0.000 2.376 67 L HA -0.078 4.252 4.340 -0.017 0.000 0.219 67 L C 2.173 179.014 176.870 -0.047 0.000 1.133 67 L CA 0.690 55.511 54.840 -0.031 0.000 0.816 67 L CB -0.163 41.896 42.059 0.000 0.000 0.933 67 L HN 0.595 nan 8.230 nan 0.000 0.449 68 K N -0.790 119.581 120.400 -0.048 0.000 2.442 68 K HA -0.140 4.170 4.320 -0.017 0.000 0.198 68 K C 0.783 177.336 176.600 -0.078 0.000 1.042 68 K CA 1.134 57.383 56.287 -0.063 0.000 0.958 68 K CB -0.085 32.378 32.500 -0.061 0.000 0.766 68 K HN 0.198 nan 8.250 nan 0.000 0.474 69 D N 1.026 121.383 120.400 -0.071 0.000 2.277 69 D HA -0.085 4.544 4.640 -0.017 0.000 0.208 69 D C 1.715 177.960 176.300 -0.092 0.000 0.962 69 D CA 0.634 54.585 54.000 -0.081 0.000 0.865 69 D CB 0.400 41.163 40.800 -0.062 0.000 0.939 69 D HN 0.139 nan 8.370 nan 0.000 0.510 70 V N 0.080 119.943 119.914 -0.085 0.000 3.431 70 V HA 0.076 4.186 4.120 -0.017 0.000 0.253 70 V C 1.996 178.043 176.094 -0.077 0.000 1.184 70 V CA 0.316 62.564 62.300 -0.086 0.000 1.104 70 V CB 0.183 31.950 31.823 -0.093 0.000 0.799 70 V HN 0.049 nan 8.190 nan 0.000 0.462 71 L N 0.739 121.916 121.223 -0.076 0.000 2.217 71 L HA -0.100 4.230 4.340 -0.017 0.000 0.211 71 L C 2.540 179.371 176.870 -0.065 0.000 1.107 71 L CA 1.852 56.651 54.840 -0.068 0.000 0.783 71 L CB -0.475 41.544 42.059 -0.067 0.000 0.919 71 L HN 0.416 nan 8.230 nan 0.000 0.442 72 K N 0.158 120.500 120.400 -0.097 0.000 2.360 72 K HA -0.180 4.130 4.320 -0.017 0.000 0.201 72 K C 1.284 177.866 176.600 -0.029 0.000 1.046 72 K CA 1.404 57.614 56.287 -0.128 0.000 0.945 72 K CB -0.203 32.084 32.500 -0.355 0.000 0.750 72 K HN 0.364 nan 8.250 nan 0.000 0.464 73 E N 1.064 121.251 120.200 -0.022 0.000 2.478 73 E HA 0.053 4.393 4.350 -0.017 0.000 0.194 73 E C -0.421 176.194 176.600 0.025 0.000 1.045 73 E CA -0.195 56.222 56.400 0.028 0.000 0.868 73 E CB 0.602 30.302 29.700 0.000 0.000 0.885 73 E HN 0.039 nan 8.360 nan 0.000 0.505 74 V N 3.147 123.064 119.914 0.005 0.000 2.546 74 V HA 0.152 4.262 4.120 -0.017 0.000 0.284 74 V C -2.190 173.908 176.094 0.008 0.000 1.050 74 V CA -2.048 60.251 62.300 -0.003 0.000 0.981 74 V CB 0.944 32.751 31.823 -0.027 0.000 0.990 74 V HN -0.028 nan 8.190 nan 0.000 0.474 75 P HA 0.280 nan 4.420 nan 0.000 0.271 75 P C 0.937 178.228 177.300 -0.015 0.000 1.218 75 P CA 1.035 64.139 63.100 0.006 0.000 0.780 75 P CB 0.765 32.473 31.700 0.013 0.000 0.901 76 G N 0.583 109.371 108.800 -0.020 0.000 2.225 76 G HA2 -0.211 3.738 3.960 -0.017 0.000 0.254 76 G HA3 -0.211 3.738 3.960 -0.017 0.000 0.254 76 G C -0.016 174.856 174.900 -0.047 0.000 0.988 76 G CA 0.023 45.098 45.100 -0.042 0.000 0.625 76 G HN 0.539 nan 8.290 nan 0.000 0.527 77 V N 1.610 121.509 119.914 -0.024 0.000 2.465 77 V HA 0.619 4.728 4.120 -0.017 0.000 0.279 77 V C 0.252 176.364 176.094 0.031 0.000 1.045 77 V CA -0.160 62.130 62.300 -0.016 0.000 0.938 77 V CB 1.524 33.332 31.823 -0.024 0.000 0.986 77 V HN 0.445 nan 8.190 nan 0.000 0.467 78 Q N 3.992 123.808 119.800 0.027 0.000 2.347 78 Q HA 0.568 4.898 4.340 -0.017 0.000 0.271 78 Q C -1.348 174.690 176.000 0.063 0.000 1.064 78 Q CA -0.763 55.098 55.803 0.096 0.000 0.800 78 Q CB 3.011 31.826 28.738 0.128 0.000 1.304 78 Q HN 0.586 nan 8.270 nan 0.000 0.438 79 L N 2.389 123.680 121.223 0.114 0.000 2.331 79 L HA 0.402 4.732 4.340 -0.017 0.000 0.278 79 L C 0.615 177.538 176.870 0.089 0.000 1.106 79 L CA 0.086 54.963 54.840 0.062 0.000 0.824 79 L CB 0.727 42.807 42.059 0.034 0.000 1.142 79 L HN 0.838 nan 8.230 nan 0.000 0.443 80 T N -0.603 113.962 114.554 0.019 0.000 2.633 80 T HA 0.549 4.889 4.350 -0.017 0.000 0.262 80 T C -0.452 174.255 174.700 0.011 0.000 0.920 80 T CA -0.951 61.143 62.100 -0.009 0.000 1.062 80 T CB 1.488 70.295 68.868 -0.102 0.000 1.390 80 T HN 0.567 nan 8.240 nan 0.000 0.549 81 N N -0.657 118.040 118.700 -0.006 0.000 2.619 81 N HA 0.516 5.246 4.740 -0.017 0.000 0.294 81 N C 0.373 175.876 175.510 -0.012 0.000 1.279 81 N CA -0.949 52.104 53.050 0.005 0.000 0.867 81 N CB 1.157 39.656 38.487 0.020 0.000 1.329 81 N HN 0.803 nan 8.380 nan 0.000 0.557 82 E N -1.032 119.164 120.200 -0.007 0.000 2.162 82 E HA 0.229 4.569 4.350 -0.017 0.000 0.193 82 E C 1.526 178.116 176.600 -0.018 0.000 0.953 82 E CA 0.906 57.296 56.400 -0.017 0.000 0.849 82 E CB -0.587 29.103 29.700 -0.017 0.000 0.810 82 E HN 0.713 nan 8.360 nan 0.000 0.470 83 G N 0.087 108.881 108.800 -0.009 0.000 2.417 83 G HA2 -0.172 3.778 3.960 -0.017 0.000 0.212 83 G HA3 -0.172 3.778 3.960 -0.017 0.000 0.212 83 G C 0.792 175.695 174.900 0.004 0.000 1.187 83 G CA 0.756 45.857 45.100 0.001 0.000 0.804 83 G HN 0.419 nan 8.290 nan 0.000 0.534 84 D N 0.255 120.655 120.400 0.001 0.000 4.315 84 D HA -0.314 4.316 4.640 -0.017 0.000 0.333 84 D C 1.772 178.082 176.300 0.016 0.000 0.542 84 D CA 2.305 56.308 54.000 0.005 0.000 1.002 84 D CB -1.087 39.711 40.800 -0.004 0.000 0.440 84 D HN 0.279 nan 8.370 nan 0.000 0.310 85 N N -0.324 118.390 118.700 0.023 0.000 2.131 85 N HA 0.206 4.936 4.740 -0.017 0.000 0.190 85 N C 0.314 175.842 175.510 0.030 0.000 1.055 85 N CA 1.459 54.528 53.050 0.032 0.000 0.853 85 N CB 0.132 38.646 38.487 0.045 0.000 1.035 85 N HN 0.482 nan 8.380 nan 0.000 0.440 86 R N -1.037 119.481 120.500 0.030 0.000 3.681 86 R HA 0.166 4.496 4.340 -0.017 0.000 0.252 86 R C -2.114 174.200 176.300 0.023 0.000 1.000 86 R CA -0.544 55.574 56.100 0.029 0.000 1.056 86 R CB 0.350 30.665 30.300 0.026 0.000 1.243 86 R HN -0.084 nan 8.270 nan 0.000 0.549 87 K N 1.110 121.521 120.400 0.019 0.000 2.206 87 K HA 0.651 4.961 4.320 -0.017 0.000 0.264 87 K C -0.568 176.027 176.600 -0.008 0.000 0.967 87 K CA -0.156 56.139 56.287 0.013 0.000 0.844 87 K CB 2.123 34.633 32.500 0.018 0.000 1.099 87 K HN 0.647 nan 8.250 nan 0.000 0.441 88 G N 0.583 109.375 108.800 -0.014 0.000 2.511 88 G HA2 0.543 4.493 3.960 -0.017 0.000 0.318 88 G HA3 0.543 4.493 3.960 -0.017 0.000 0.318 88 G C -1.429 173.449 174.900 -0.037 0.000 1.210 88 G CA -0.571 44.510 45.100 -0.032 0.000 0.969 88 G HN 0.452 nan 8.290 nan 0.000 0.484 89 V N 0.908 120.793 119.914 -0.048 0.000 2.417 89 V HA 0.659 4.769 4.120 -0.017 0.000 0.291 89 V C 0.246 176.307 176.094 -0.055 0.000 1.024 89 V CA -0.497 61.773 62.300 -0.051 0.000 0.861 89 V CB 1.447 33.235 31.823 -0.057 0.000 0.985 89 V HN 1.065 nan 8.190 nan 0.000 0.436 90 S N 7.599 123.264 115.700 -0.060 0.000 2.525 90 S HA 0.749 5.208 4.470 -0.017 0.000 0.290 90 S C -0.719 173.835 174.600 -0.076 0.000 1.152 90 S CA -0.712 57.444 58.200 -0.074 0.000 1.072 90 S CB 1.462 64.597 63.200 -0.109 0.000 1.027 90 S HN 0.580 nan 8.310 nan 0.000 0.500 91 I N 2.557 123.072 120.570 -0.090 0.000 2.418 91 I HA 0.482 4.642 4.170 -0.017 0.000 0.287 91 I C 0.418 176.439 176.117 -0.161 0.000 1.008 91 I CA -0.903 60.327 61.300 -0.116 0.000 1.104 91 I CB 1.551 39.481 38.000 -0.117 0.000 1.264 91 I HN 0.795 nan 8.210 nan 0.000 0.438 92 R N 4.348 124.736 120.500 -0.186 0.000 3.333 92 R HA -0.221 4.109 4.340 -0.017 0.000 0.256 92 R C 0.899 177.147 176.300 -0.087 0.000 1.010 92 R CA 0.672 56.635 56.100 -0.227 0.000 0.680 92 R CB -1.799 28.159 30.300 -0.570 0.000 1.102 92 R HN 1.236 nan 8.270 nan 0.000 0.440 93 G N -0.991 107.759 108.800 -0.084 0.000 2.176 93 G HA2 -0.316 3.634 3.960 -0.017 0.000 0.253 93 G HA3 -0.316 3.634 3.960 -0.017 0.000 0.253 93 G C 0.096 174.892 174.900 -0.174 0.000 0.979 93 G CA 0.361 45.392 45.100 -0.116 0.000 0.641 93 G HN 0.293 nan 8.290 nan 0.000 0.530 94 L N 1.332 122.445 121.223 -0.184 0.000 2.362 94 L HA 0.517 4.847 4.340 -0.017 0.000 0.271 94 L C 0.443 177.261 176.870 -0.086 0.000 1.002 94 L CA -1.059 53.645 54.840 -0.226 0.000 0.818 94 L CB 1.584 43.390 42.059 -0.422 0.000 1.298 94 L HN 0.325 nan 8.230 nan 0.000 0.420 95 D N 0.069 120.477 120.400 0.013 0.000 2.349 95 D HA -0.057 4.573 4.640 -0.017 0.000 0.239 95 D C 1.119 177.469 176.300 0.084 0.000 1.315 95 D CA 0.073 54.100 54.000 0.045 0.000 0.937 95 D CB 0.572 41.397 40.800 0.040 0.000 1.133 95 D HN 0.512 nan 8.370 nan 0.000 0.489 96 S N -1.203 114.496 115.700 -0.001 0.000 2.481 96 S HA -0.172 4.287 4.470 -0.017 0.000 0.231 96 S C 1.769 176.322 174.600 -0.079 0.000 0.996 96 S CA 0.797 58.970 58.200 -0.044 0.000 0.942 96 S CB -0.985 62.171 63.200 -0.072 0.000 0.768 96 S HN 0.593 nan 8.310 nan 0.000 0.520 97 S N 0.272 115.908 115.700 -0.106 0.000 2.474 97 S HA -0.019 4.441 4.470 -0.017 0.000 0.235 97 S C 1.163 175.544 174.600 -0.365 0.000 0.997 97 S CA 0.265 58.310 58.200 -0.258 0.000 0.949 97 S CB -0.868 62.129 63.200 -0.338 0.000 0.766 97 S HN 0.677 nan 8.310 nan 0.000 0.517 98 Y N 1.741 121.958 120.300 -0.137 0.000 2.457 98 Y HA 0.334 4.874 4.550 -0.017 0.000 0.263 98 Y C 0.787 176.593 175.900 -0.156 0.000 1.164 98 Y CA -0.201 57.810 58.100 -0.148 0.000 1.274 98 Y CB -0.041 38.338 38.460 -0.136 0.000 1.097 98 Y HN 0.164 nan 8.280 nan 0.000 0.523 99 T N 2.269 116.801 114.554 -0.038 0.000 2.767 99 T HA 0.310 4.650 4.350 -0.017 0.000 0.288 99 T C -0.608 174.012 174.700 -0.134 0.000 0.963 99 T CA -0.493 61.554 62.100 -0.089 0.000 1.019 99 T CB 0.993 69.808 68.868 -0.089 0.000 0.923 99 T HN -0.060 nan 8.240 nan 0.000 0.468 100 L N 5.166 126.294 121.223 -0.158 0.000 2.331 100 L HA 0.509 4.839 4.340 -0.017 0.000 0.278 100 L C -0.766 175.991 176.870 -0.189 0.000 1.106 100 L CA -0.003 54.725 54.840 -0.187 0.000 0.824 100 L CB 0.104 42.028 42.059 -0.224 0.000 1.142 100 L HN 0.575 nan 8.230 nan 0.000 0.443 101 I N 6.392 126.863 120.570 -0.164 0.000 2.339 101 I HA 0.367 4.527 4.170 -0.017 0.000 0.290 101 I C -0.669 175.371 176.117 -0.127 0.000 0.994 101 I CA -0.340 60.881 61.300 -0.132 0.000 1.191 101 I CB 1.134 39.075 38.000 -0.099 0.000 1.343 101 I HN 0.475 nan 8.210 nan 0.000 0.458 102 L N 6.549 127.684 121.223 -0.147 0.000 2.354 102 L HA 0.658 4.988 4.340 -0.017 0.000 0.269 102 L C -0.754 176.055 176.870 -0.103 0.000 1.005 102 L CA -1.101 53.646 54.840 -0.156 0.000 0.819 102 L CB 2.267 44.173 42.059 -0.255 0.000 1.311 102 L HN 0.205 nan 8.230 nan 0.000 0.423 103 V N 1.270 121.121 119.914 -0.104 0.000 2.350 103 V HA 0.226 4.336 4.120 -0.017 0.000 0.285 103 V C -0.417 175.585 176.094 -0.153 0.000 1.014 103 V CA -0.524 61.713 62.300 -0.105 0.000 0.831 103 V CB 1.128 32.917 31.823 -0.056 0.000 1.000 103 V HN 0.849 nan 8.190 nan 0.000 0.433 104 D N 4.692 125.006 120.400 -0.143 0.000 2.686 104 D HA -0.215 4.415 4.640 -0.017 0.000 0.235 104 D C 1.356 177.575 176.300 -0.135 0.000 1.160 104 D CA 1.532 55.454 54.000 -0.130 0.000 0.645 104 D CB -0.894 39.837 40.800 -0.114 0.000 1.039 104 D HN 1.338 nan 8.370 nan 0.000 0.423 105 G N -0.508 108.210 108.800 -0.137 0.000 2.267 105 G HA2 -0.376 3.574 3.960 -0.017 0.000 0.257 105 G HA3 -0.376 3.574 3.960 -0.017 0.000 0.257 105 G C 0.329 175.130 174.900 -0.165 0.000 0.998 105 G CA 0.726 45.766 45.100 -0.099 0.000 0.620 105 G HN 0.478 nan 8.290 nan 0.000 0.529 106 K N 0.900 121.101 120.400 -0.331 0.000 2.258 106 K HA 0.453 4.763 4.320 -0.017 0.000 0.284 106 K C 0.682 177.093 176.600 -0.315 0.000 1.051 106 K CA -0.736 55.142 56.287 -0.681 0.000 0.923 106 K CB 1.124 32.895 32.500 -1.216 0.000 1.046 106 K HN 0.301 nan 8.250 nan 0.000 0.474 107 R N 2.272 122.752 120.500 -0.034 0.000 2.504 107 R HA -0.022 4.308 4.340 -0.017 0.000 0.291 107 R C -0.709 175.628 176.300 0.062 0.000 0.974 107 R CA 0.020 56.161 56.100 0.069 0.000 1.077 107 R CB 0.295 30.706 30.300 0.185 0.000 0.926 107 R HN 0.320 nan 8.270 nan 0.000 0.407 108 V N 5.643 125.550 119.914 -0.012 0.000 2.348 108 V HA 0.151 4.261 4.120 -0.017 0.000 0.270 108 V C -0.194 175.856 176.094 -0.073 0.000 1.037 108 V CA -0.531 61.758 62.300 -0.018 0.000 0.872 108 V CB 1.035 32.853 31.823 -0.009 0.000 1.002 108 V HN 0.710 nan 8.190 nan 0.000 0.464 109 N N 3.192 121.845 118.700 -0.077 0.000 2.524 109 N HA 0.293 5.023 4.740 -0.017 0.000 0.261 109 N C 0.266 175.674 175.510 -0.171 0.000 0.998 109 N CA -0.074 52.906 53.050 -0.116 0.000 0.915 109 N CB 1.964 40.405 38.487 -0.078 0.000 1.187 109 N HN 0.582 nan 8.380 nan 0.000 0.507 110 S N 1.071 116.634 115.700 -0.227 0.000 2.819 110 S HA 0.188 4.648 4.470 -0.017 0.000 0.249 110 S C 1.610 175.994 174.600 -0.360 0.000 1.030 110 S CA 0.006 58.023 58.200 -0.305 0.000 1.052 110 S CB 0.125 63.105 63.200 -0.367 0.000 1.017 110 S HN 0.498 nan 8.310 nan 0.000 0.576 111 R N 2.180 122.507 120.500 -0.288 0.000 2.237 111 R HA 0.199 4.529 4.340 -0.017 0.000 0.219 111 R C 1.386 177.529 176.300 -0.262 0.000 1.080 111 R CA 1.349 57.277 56.100 -0.287 0.000 0.995 111 R CB -1.364 nan 30.300 nan 0.000 0.875 111 R HN 0.586 nan 8.270 nan 0.000 0.462 112 N N -0.766 117.799 118.700 -0.224 0.000 2.270 112 N HA 0.254 4.984 4.740 -0.017 0.000 0.198 112 N C 0.716 176.148 175.510 -0.131 0.000 1.117 112 N CA 0.909 53.898 53.050 -0.100 0.000 0.845 112 N CB 1.397 39.848 38.487 -0.059 0.000 0.980 112 N HN 0.550 nan 8.380 nan 0.000 0.486 113 A N -0.842 121.689 122.820 -0.482 0.000 1.999 113 A HA 0.259 4.569 4.320 -0.017 0.000 0.190 113 A C 0.130 177.269 177.584 -0.741 0.000 1.737 113 A CA 0.154 51.932 52.037 -0.431 0.000 1.257 113 A CB 0.838 19.678 19.000 -0.266 0.000 1.401 113 A HN -0.028 nan 8.150 nan 0.000 0.430 114 V N 0.666 119.979 119.914 -1.002 0.000 2.448 114 V HA 0.535 4.645 4.120 -0.017 0.000 0.295 114 V C -0.139 175.401 176.094 -0.923 0.000 1.025 114 V CA -0.160 61.698 62.300 -0.737 0.000 0.859 114 V CB 0.963 32.545 31.823 -0.402 0.000 0.988 114 V HN 0.439 nan 8.190 nan 0.000 0.431 115 F N 1.751 121.664 119.950 -0.061 0.000 2.784 115 F HA 0.308 4.825 4.527 -0.017 0.000 0.316 115 F C 1.999 177.737 175.800 -0.104 0.000 1.026 115 F CA -0.218 57.732 58.000 -0.084 0.000 1.188 115 F CB 0.304 39.265 39.000 -0.065 0.000 0.999 115 F HN 0.279 nan 8.300 nan 0.000 0.605 116 R N -0.560 119.940 120.500 0.000 0.000 2.128 116 R HA 0.139 4.468 4.340 -0.017 0.000 0.211 116 R C -0.195 175.908 176.300 -0.327 0.000 1.067 116 R CA 0.587 56.567 56.100 -0.200 0.000 1.010 116 R CB -0.114 29.986 30.300 -0.333 0.000 0.922 116 R HN 0.276 nan 8.270 nan 0.000 0.457 117 H N -1.137 117.902 119.070 -0.051 0.000 2.615 117 H HA 0.329 4.875 4.556 -0.017 0.000 0.346 117 H C -0.271 174.987 175.328 -0.116 0.000 1.200 117 H CA -0.858 55.142 56.048 -0.080 0.000 1.264 117 H CB 0.905 30.614 29.762 -0.089 0.000 1.699 117 H HN -0.166 nan 8.280 nan 0.000 0.567 118 N N 0.008 118.718 118.700 0.016 0.000 2.545 118 N HA 0.063 4.793 4.740 -0.017 0.000 0.283 118 N C -0.697 174.753 175.510 -0.098 0.000 1.596 118 N CA 0.041 53.047 53.050 -0.073 0.000 0.862 118 N CB 0.376 38.803 38.487 -0.100 0.000 1.422 118 N HN 0.527 nan 8.380 nan 0.000 0.489 119 D N -0.894 119.451 120.400 -0.092 0.000 2.366 119 D HA 0.109 4.739 4.640 -0.017 0.000 0.205 119 D C 1.306 177.473 176.300 -0.221 0.000 1.022 119 D CA 0.063 53.968 54.000 -0.159 0.000 0.868 119 D CB 0.152 40.835 40.800 -0.194 0.000 0.953 119 D HN 0.346 nan 8.370 nan 0.000 0.514 120 F N 1.686 121.422 119.950 -0.356 0.000 2.102 120 F HA -0.155 4.362 4.527 -0.017 0.000 0.298 120 F C 1.170 176.507 175.800 -0.772 0.000 1.105 120 F CA 1.203 58.927 58.000 -0.460 0.000 1.239 120 F CB 0.168 38.904 39.000 -0.439 0.000 0.991 120 F HN -0.212 nan 8.300 nan 0.000 0.474 121 D N 0.423 120.532 120.400 -0.485 0.000 2.379 121 D HA -0.012 4.618 4.640 -0.017 0.000 0.243 121 D C 1.202 177.007 176.300 -0.825 0.000 1.088 121 D CA 0.882 54.364 54.000 -0.863 0.000 0.925 121 D CB -0.112 40.435 40.800 -0.422 0.000 0.888 121 D HN 0.379 nan 8.370 nan 0.000 0.529 122 L N -1.288 119.633 121.223 -0.503 0.000 3.467 122 L HA 0.174 4.504 4.340 -0.017 0.000 0.315 122 L C 0.665 177.622 176.870 0.145 0.000 1.184 122 L CA -0.048 54.784 54.840 -0.014 0.000 1.124 122 L CB 0.785 42.802 42.059 -0.070 0.000 1.585 122 L HN -0.144 nan 8.230 nan 0.000 0.617 123 N N 0.076 118.800 118.700 0.039 0.000 2.696 123 N HA 0.119 4.849 4.740 -0.017 0.000 0.308 123 N C -0.143 175.415 175.510 0.080 0.000 1.915 123 N CA -0.067 53.001 53.050 0.029 0.000 0.906 123 N CB 0.671 39.062 38.487 -0.160 0.000 1.284 123 N HN 0.488 nan 8.380 nan 0.000 0.488 124 W N 0.664 121.750 121.300 -0.356 0.000 4.862 124 W HA 0.438 5.088 4.660 -0.017 0.000 0.164 124 W C -0.713 175.678 176.519 -0.213 0.000 1.072 124 W CA -0.215 56.897 57.345 -0.388 0.000 1.730 124 W CB 0.209 29.202 29.460 -0.778 0.000 0.542 124 W HN -0.184 nan 8.180 nan 0.000 1.046 125 I N 5.764 125.657 120.570 -1.127 0.000 2.406 125 I HA 0.163 4.323 4.170 -0.017 0.000 0.293 125 I C -1.744 174.104 176.117 -0.448 0.000 1.101 125 I CA -2.623 58.119 61.300 -0.930 0.000 1.334 125 I CB -0.465 36.763 38.000 -1.287 0.000 1.421 125 I HN -0.161 nan 8.210 nan 0.000 0.513 126 P HA -0.029 nan 4.420 nan 0.000 0.266 126 P C 1.016 178.180 177.300 -0.227 0.000 1.195 126 P CA 0.104 63.107 63.100 -0.162 0.000 0.768 126 P CB 1.582 33.239 31.700 -0.072 0.000 0.838 127 V N 2.464 122.265 119.914 -0.187 0.000 2.427 127 V HA -0.212 3.898 4.120 -0.017 0.000 0.248 127 V C 1.460 177.396 176.094 -0.264 0.000 1.051 127 V CA 2.109 64.278 62.300 -0.218 0.000 1.048 127 V CB -1.057 30.666 31.823 -0.166 0.000 0.666 127 V HN 0.397 nan 8.190 nan 0.000 0.456 128 D N 0.460 120.730 120.400 -0.217 0.000 2.315 128 D HA -0.116 4.514 4.640 -0.017 0.000 0.211 128 D C 2.175 178.185 176.300 -0.484 0.000 0.977 128 D CA 1.601 55.452 54.000 -0.247 0.000 0.894 128 D CB -0.154 40.591 40.800 -0.092 0.000 0.910 128 D HN 0.721 nan 8.370 nan 0.000 0.490 129 S N -0.751 114.616 115.700 -0.556 0.000 2.575 129 S HA 0.113 4.573 4.470 -0.017 0.000 0.215 129 S C 0.753 174.830 174.600 -0.871 0.000 0.966 129 S CA -0.406 57.221 58.200 -0.955 0.000 0.911 129 S CB 0.063 62.610 63.200 -1.088 0.000 0.780 129 S HN 0.082 nan 8.310 nan 0.000 0.514 130 I N 1.732 121.936 120.570 -0.609 0.000 2.359 130 I HA 0.399 4.559 4.170 -0.017 0.000 0.294 130 I C 1.224 177.098 176.117 -0.404 0.000 0.987 130 I CA -0.490 60.533 61.300 -0.461 0.000 1.225 130 I CB 1.930 39.717 38.000 -0.355 0.000 1.366 130 I HN 0.103 nan 8.210 nan 0.000 0.466 131 E N 6.169 126.160 120.200 -0.348 0.000 2.075 131 E HA 0.057 4.397 4.350 -0.017 0.000 0.190 131 E C 0.152 176.622 176.600 -0.218 0.000 0.969 131 E CA 0.864 57.096 56.400 -0.281 0.000 0.815 131 E CB 0.486 30.038 29.700 -0.247 0.000 0.776 131 E HN 0.657 nan 8.360 nan 0.000 0.457 132 R N -1.229 119.150 120.500 -0.202 0.000 2.765 132 R HA 0.384 4.714 4.340 -0.017 0.000 0.277 132 R C -1.492 174.714 176.300 -0.157 0.000 1.028 132 R CA -0.704 55.298 56.100 -0.164 0.000 0.860 132 R CB 0.197 30.415 30.300 -0.137 0.000 1.270 132 R HN -0.024 nan 8.270 nan 0.000 0.484 133 I N 1.307 121.796 120.570 -0.135 0.000 2.389 133 I HA 0.325 4.485 4.170 -0.017 0.000 0.288 133 I C -0.393 175.660 176.117 -0.106 0.000 0.999 133 I CA -0.809 60.417 61.300 -0.124 0.000 1.129 133 I CB 2.130 40.061 38.000 -0.116 0.000 1.288 133 I HN 0.550 nan 8.210 nan 0.000 0.444 134 E N 5.326 125.462 120.200 -0.107 0.000 2.197 134 E HA 0.497 4.837 4.350 -0.017 0.000 0.281 134 E C -1.187 175.354 176.600 -0.099 0.000 0.995 134 E CA -0.541 55.801 56.400 -0.097 0.000 0.808 134 E CB 2.348 31.990 29.700 -0.097 0.000 1.093 134 E HN 0.260 nan 8.360 nan 0.000 0.394 135 V N 4.082 123.944 119.914 -0.085 0.000 2.447 135 V HA 0.203 4.313 4.120 -0.017 0.000 0.292 135 V C -0.402 175.644 176.094 -0.080 0.000 1.021 135 V CA -0.857 61.390 62.300 -0.088 0.000 0.850 135 V CB 1.671 33.447 31.823 -0.078 0.000 1.005 135 V HN 0.406 nan 8.190 nan 0.000 0.426 136 V N 6.111 125.969 119.914 -0.094 0.000 2.383 136 V HA 0.461 4.570 4.120 -0.017 0.000 0.275 136 V C 0.276 176.306 176.094 -0.107 0.000 1.036 136 V CA -0.667 61.580 62.300 -0.090 0.000 0.889 136 V CB 1.503 33.274 31.823 -0.087 0.000 0.985 136 V HN 0.852 nan 8.190 nan 0.000 0.459 137 R N 3.790 124.223 120.500 -0.111 0.000 2.229 137 R HA 0.735 5.065 4.340 -0.017 0.000 0.328 137 R C 0.490 176.673 176.300 -0.195 0.000 1.009 137 R CA 0.108 56.105 56.100 -0.172 0.000 0.864 137 R CB 1.309 31.492 30.300 -0.196 0.000 1.085 137 R HN 1.083 nan 8.270 nan 0.000 0.453 138 G N 3.221 111.887 108.800 -0.223 0.000 2.462 138 G HA2 -0.116 3.833 3.960 -0.017 0.000 0.685 138 G HA3 -0.116 3.833 3.960 -0.017 0.000 0.685 138 G C -3.020 171.809 174.900 -0.118 0.000 1.295 138 G CA -1.257 43.728 45.100 -0.190 0.000 0.941 138 G HN 0.436 nan 8.290 nan 0.000 0.554 139 P HA 0.600 nan 4.420 nan 0.000 0.281 139 P C -0.138 177.142 177.300 -0.035 0.000 1.249 139 P CA -0.265 62.797 63.100 -0.063 0.000 0.810 139 P CB 1.559 33.220 31.700 -0.065 0.000 1.008 140 M N 1.168 120.764 119.600 -0.007 0.000 4.050 140 M HA 0.163 4.633 4.480 -0.017 0.000 0.524 140 M C 0.822 177.154 176.300 0.053 0.000 1.863 140 M CA 0.327 55.649 55.300 0.037 0.000 0.644 140 M CB -0.628 32.051 32.600 0.131 0.000 1.477 140 M HN 0.062 nan 8.290 nan 0.000 0.570 141 S N -0.788 114.930 115.700 0.031 0.000 2.419 141 S HA -0.112 4.348 4.470 -0.017 0.000 0.233 141 S C 1.792 176.432 174.600 0.067 0.000 1.016 141 S CA 1.657 59.899 58.200 0.070 0.000 0.974 141 S CB -0.129 63.184 63.200 0.187 0.000 0.786 141 S HN 0.776 nan 8.310 nan 0.000 0.492 142 S N 1.002 116.712 115.700 0.016 0.000 2.469 142 S HA 0.064 4.523 4.470 -0.017 0.000 0.238 142 S C 1.509 175.988 174.600 -0.203 0.000 0.998 142 S CA 0.758 58.949 58.200 -0.014 0.000 0.957 142 S CB -0.290 62.918 63.200 0.013 0.000 0.764 142 S HN 0.433 nan 8.310 nan 0.000 0.514 143 L N -1.956 119.046 121.223 -0.368 0.000 2.526 143 L HA 0.331 4.661 4.340 -0.017 0.000 0.210 143 L C 1.558 177.951 176.870 -0.795 0.000 1.048 143 L CA 0.539 54.881 54.840 -0.830 0.000 0.852 143 L CB 0.045 41.480 42.059 -1.040 0.000 1.128 143 L HN 0.251 nan 8.230 nan 0.000 0.482 144 Y N -0.220 119.961 120.300 -0.199 0.000 2.445 144 Y HA 0.413 4.953 4.550 -0.016 0.000 0.247 144 Y C 1.431 177.274 175.900 -0.096 0.000 1.129 144 Y CA 0.214 58.232 58.100 -0.137 0.000 1.251 144 Y CB 0.744 39.126 38.460 -0.130 0.000 1.176 144 Y HN 0.223 nan 8.280 nan 0.000 0.522 145 G N 0.476 109.307 108.800 0.053 0.000 2.512 145 G HA2 -0.296 3.654 3.960 -0.017 0.000 0.240 145 G HA3 -0.296 3.654 3.960 -0.017 0.000 0.240 145 G C -0.118 174.520 174.900 -0.436 0.000 1.246 145 G CA -0.301 44.815 45.100 0.028 0.000 0.919 145 G HN 0.265 nan 8.290 nan 0.000 0.577 146 S N 0.371 115.602 115.700 -0.782 0.000 2.566 146 S HA 0.396 4.856 4.470 -0.017 0.000 0.280 146 S C 1.188 175.447 174.600 -0.568 0.000 1.343 146 S CA 1.655 59.164 58.200 -1.152 0.000 1.036 146 S CB 0.039 62.810 63.200 -0.715 0.000 0.866 146 S HN 1.535 nan 8.310 nan 0.000 0.526 147 D N 0.160 120.254 120.400 -0.510 0.000 2.202 147 D HA -0.166 4.463 4.640 -0.017 0.000 0.165 147 D C 0.314 176.488 176.300 -0.209 0.000 1.170 147 D CA 1.616 55.432 54.000 -0.307 0.000 1.110 147 D CB -1.655 38.986 40.800 -0.264 0.000 1.160 147 D HN 0.714 nan 8.370 nan 0.000 0.496 148 A N 0.476 123.175 122.820 -0.203 0.000 3.074 148 A HA 0.501 4.811 4.320 -0.017 0.000 0.251 148 A C 1.493 179.023 177.584 -0.091 0.000 1.695 148 A CA 0.087 52.049 52.037 -0.125 0.000 1.343 148 A CB -0.682 18.280 19.000 -0.063 0.000 1.078 148 A HN 0.368 nan 8.150 nan 0.000 0.644 149 L N -0.489 120.694 121.223 -0.067 0.000 2.269 149 L HA 0.243 4.572 4.340 -0.017 0.000 0.200 149 L C 2.246 179.077 176.870 -0.065 0.000 1.069 149 L CA 1.396 56.217 54.840 -0.032 0.000 0.804 149 L CB -0.002 42.096 42.059 0.065 0.000 0.987 149 L HN 0.505 nan 8.230 nan 0.000 0.468 150 G N -0.879 107.892 108.800 -0.049 0.000 2.411 150 G HA2 0.378 4.328 3.960 -0.017 0.000 0.213 150 G HA3 0.378 4.328 3.960 -0.017 0.000 0.213 150 G C 0.571 175.384 174.900 -0.146 0.000 1.166 150 G CA 0.635 45.665 45.100 -0.117 0.000 0.802 150 G HN 0.552 nan 8.290 nan 0.000 0.533 151 G N -2.044 106.687 108.800 -0.116 0.000 2.342 151 G HA2 0.458 4.408 3.960 -0.017 0.000 0.297 151 G HA3 0.458 4.408 3.960 -0.017 0.000 0.297 151 G C -2.220 172.603 174.900 -0.128 0.000 1.313 151 G CA -0.133 44.891 45.100 -0.127 0.000 0.830 151 G HN 0.588 nan 8.290 nan 0.000 0.506 152 V N -0.376 119.454 119.914 -0.141 0.000 2.760 152 V HA 0.667 4.777 4.120 -0.017 0.000 0.309 152 V C -0.500 175.494 176.094 -0.167 0.000 1.077 152 V CA -0.753 61.436 62.300 -0.185 0.000 0.910 152 V CB 1.777 33.451 31.823 -0.249 0.000 1.008 152 V HN 0.747 nan 8.190 nan 0.000 0.424 153 V N 3.608 123.421 119.914 -0.168 0.000 2.378 153 V HA 0.509 4.619 4.120 -0.017 0.000 0.288 153 V C -0.382 175.619 176.094 -0.155 0.000 1.016 153 V CA -0.510 61.708 62.300 -0.136 0.000 0.840 153 V CB 1.693 33.455 31.823 -0.101 0.000 0.994 153 V HN 0.855 nan 8.190 nan 0.000 0.431 154 N N 4.962 123.569 118.700 -0.155 0.000 2.518 154 N HA 0.482 5.211 4.740 -0.017 0.000 0.254 154 N C -0.814 174.616 175.510 -0.134 0.000 0.979 154 N CA -0.421 52.533 53.050 -0.160 0.000 0.930 154 N CB 1.173 39.553 38.487 -0.179 0.000 1.152 154 N HN 0.600 nan 8.380 nan 0.000 0.505 155 I N 4.172 124.667 120.570 -0.125 0.000 2.352 155 I HA 0.245 4.405 4.170 -0.017 0.000 0.290 155 I C 0.187 176.204 176.117 -0.168 0.000 1.036 155 I CA -0.400 60.811 61.300 -0.147 0.000 1.336 155 I CB 0.707 38.615 38.000 -0.153 0.000 1.407 155 I HN 0.254 nan 8.210 nan 0.000 0.497 156 I N 5.898 126.360 120.570 -0.179 0.000 2.321 156 I HA 0.213 4.372 4.170 -0.017 0.000 0.291 156 I C 0.784 176.763 176.117 -0.231 0.000 0.998 156 I CA -0.354 60.838 61.300 -0.180 0.000 1.227 156 I CB 1.057 38.963 38.000 -0.156 0.000 1.368 156 I HN 0.567 nan 8.210 nan 0.000 0.466 157 T N 3.578 117.992 114.554 -0.233 0.000 2.849 157 T HA 0.363 4.703 4.350 -0.017 0.000 0.284 157 T C 0.255 174.780 174.700 -0.291 0.000 1.004 157 T CA -0.804 61.110 62.100 -0.311 0.000 1.021 157 T CB 1.255 69.955 68.868 -0.280 0.000 1.013 157 T HN 0.415 nan 8.240 nan 0.000 0.527 158 K N 1.205 121.357 120.400 -0.414 0.000 2.295 158 K HA 0.277 4.586 4.320 -0.017 0.000 0.270 158 K C -0.029 176.491 176.600 -0.133 0.000 1.011 158 K CA -0.555 55.518 56.287 -0.357 0.000 0.953 158 K CB 0.491 32.588 32.500 -0.672 0.000 0.956 158 K HN 0.403 nan 8.250 nan 0.000 0.477 159 K N 1.879 122.220 120.400 -0.100 0.000 2.185 159 K HA 0.208 4.517 4.320 -0.017 0.000 0.271 159 K C -0.175 176.422 176.600 -0.005 0.000 1.013 159 K CA -0.198 56.062 56.287 -0.045 0.000 0.943 159 K CB 0.471 32.931 32.500 -0.066 0.000 0.998 159 K HN 0.376 nan 8.250 nan 0.000 0.468 160 I N 2.528 123.091 120.570 -0.011 0.000 2.742 160 I HA -0.023 4.137 4.170 -0.017 0.000 0.287 160 I C 1.153 177.216 176.117 -0.090 0.000 1.186 160 I CA 0.312 61.574 61.300 -0.064 0.000 1.417 160 I CB 0.128 38.078 38.000 -0.083 0.000 1.377 160 I HN 0.588 nan 8.210 nan 0.000 0.556 161 G N 4.550 113.275 108.800 -0.125 0.000 2.537 161 G HA2 0.142 4.091 3.960 -0.017 0.000 0.273 161 G HA3 0.142 4.091 3.960 -0.017 0.000 0.273 161 G C 0.512 175.329 174.900 -0.139 0.000 1.189 161 G CA -0.449 44.583 45.100 -0.114 0.000 0.881 161 G HN 0.598 nan 8.290 nan 0.000 0.535 162 Q N -0.530 119.218 119.800 -0.086 0.000 2.369 162 Q HA 0.067 4.397 4.340 -0.017 0.000 0.206 162 Q C 0.580 176.547 176.000 -0.055 0.000 0.963 162 Q CA 1.030 56.795 55.803 -0.062 0.000 0.894 162 Q CB 0.115 28.836 28.738 -0.028 0.000 0.965 162 Q HN 0.443 nan 8.270 nan 0.000 0.475 163 K N -0.957 119.407 120.400 -0.060 0.000 2.375 163 K HA 0.245 4.554 4.320 -0.017 0.000 0.249 163 K C -1.392 175.199 176.600 -0.015 0.000 0.942 163 K CA -0.643 55.648 56.287 0.007 0.000 0.806 163 K CB 1.379 33.917 32.500 0.064 0.000 1.227 163 K HN -0.107 nan 8.250 nan 0.000 0.430 164 W N 2.057 123.404 121.300 0.079 0.000 2.295 164 W HA 0.077 4.727 4.660 -0.017 0.000 0.335 164 W C 0.646 177.232 176.519 0.112 0.000 1.351 164 W CA 0.925 58.341 57.345 0.118 0.000 1.273 164 W CB 0.522 30.085 29.460 0.172 0.000 1.214 164 W HN 0.562 nan 8.180 nan 0.000 0.563 165 S N 2.543 118.381 115.700 0.230 0.000 2.643 165 S HA 0.954 5.414 4.470 -0.017 0.000 0.270 165 S C -0.516 173.800 174.600 -0.473 0.000 1.166 165 S CA -0.424 57.698 58.200 -0.129 0.000 0.815 165 S CB 1.854 64.987 63.200 -0.112 0.000 1.139 165 S HN 1.138 nan 8.310 nan 0.000 0.472 166 G N -0.274 107.922 108.800 -1.007 0.000 2.328 166 G HA2 0.563 4.513 3.960 -0.017 0.000 0.295 166 G HA3 0.563 4.513 3.960 -0.017 0.000 0.295 166 G C -1.565 172.977 174.900 -0.596 0.000 1.413 166 G CA -0.253 44.405 45.100 -0.736 0.000 0.817 166 G HN 1.071 nan 8.290 nan 0.000 0.546 167 T N -0.670 113.825 114.554 -0.098 0.000 2.916 167 T HA 0.660 5.000 4.350 -0.017 0.000 0.305 167 T C -1.002 173.841 174.700 0.238 0.000 1.119 167 T CA -0.525 61.590 62.100 0.026 0.000 1.008 167 T CB 2.052 70.919 68.868 -0.002 0.000 1.129 167 T HN 0.850 nan 8.240 nan 0.000 0.480 168 V N 2.232 122.311 119.914 0.275 0.000 2.588 168 V HA 0.671 4.781 4.120 -0.017 0.000 0.304 168 V C -0.328 175.894 176.094 0.213 0.000 1.042 168 V CA -0.666 61.816 62.300 0.303 0.000 0.877 168 V CB 2.090 34.117 31.823 0.341 0.000 0.996 168 V HN 1.036 nan 8.190 nan 0.000 0.425 169 T N 3.969 118.628 114.554 0.175 0.000 2.841 169 T HA 0.593 4.932 4.350 -0.017 0.000 0.285 169 T C -0.632 174.141 174.700 0.121 0.000 0.991 169 T CA -0.399 61.775 62.100 0.123 0.000 0.966 169 T CB 1.722 70.637 68.868 0.078 0.000 0.962 169 T HN 0.336 nan 8.240 nan 0.000 0.438 170 V N 4.377 124.358 119.914 0.112 0.000 2.409 170 V HA 0.594 4.704 4.120 -0.017 0.000 0.291 170 V C -0.578 175.584 176.094 0.112 0.000 1.020 170 V CA -0.761 61.606 62.300 0.112 0.000 0.848 170 V CB 1.586 33.472 31.823 0.104 0.000 0.990 170 V HN 1.083 nan 8.190 nan 0.000 0.430 171 D N 2.350 122.819 120.400 0.115 0.000 2.581 171 D HA 0.724 5.354 4.640 -0.017 0.000 0.232 171 D C -0.690 175.678 176.300 0.114 0.000 1.143 171 D CA -0.564 53.505 54.000 0.116 0.000 0.881 171 D CB 2.470 43.321 40.800 0.084 0.000 1.500 171 D HN 0.456 nan 8.370 nan 0.000 0.458 172 T N -0.690 113.925 114.554 0.102 0.000 2.883 172 T HA 0.640 4.980 4.350 -0.017 0.000 0.301 172 T C -1.535 173.178 174.700 0.021 0.000 1.158 172 T CA -0.513 61.583 62.100 -0.006 0.000 1.007 172 T CB 1.801 70.656 68.868 -0.023 0.000 1.186 172 T HN 0.418 nan 8.240 nan 0.000 0.499 173 T N 3.524 118.024 114.554 -0.090 0.000 2.930 173 T HA 0.515 4.855 4.350 -0.017 0.000 0.313 173 T C -0.547 174.119 174.700 -0.056 0.000 1.019 173 T CA -0.374 61.729 62.100 0.005 0.000 1.004 173 T CB 0.045 68.926 68.868 0.021 0.000 0.987 173 T HN 0.482 nan 8.240 nan 0.000 0.456 174 I N 3.228 123.819 120.570 0.034 0.000 2.330 174 I HA 0.355 4.515 4.170 -0.017 0.000 0.289 174 I C 0.443 176.625 176.117 0.109 0.000 1.001 174 I CA -0.811 60.516 61.300 0.045 0.000 1.193 174 I CB 1.508 39.552 38.000 0.074 0.000 1.345 174 I HN 0.413 nan 8.210 nan 0.000 0.461 175 Q N 3.946 123.782 119.800 0.059 0.000 2.340 175 Q HA 0.056 4.386 4.340 -0.017 0.000 0.249 175 Q C 1.005 177.049 176.000 0.075 0.000 0.957 175 Q CA 0.098 55.931 55.803 0.050 0.000 0.882 175 Q CB 1.490 30.255 28.738 0.046 0.000 1.235 175 Q HN 0.608 nan 8.270 nan 0.000 0.439 176 E N 1.705 121.911 120.200 0.010 0.000 2.072 176 E HA -0.126 4.214 4.350 -0.017 0.000 0.190 176 E C -0.426 176.140 176.600 -0.056 0.000 0.982 176 E CA 0.510 56.905 56.400 -0.009 0.000 0.803 176 E CB 0.189 29.809 29.700 -0.132 0.000 0.755 176 E HN 0.655 nan 8.360 nan 0.000 0.453 177 H N 0.811 119.920 119.070 0.067 0.000 3.157 177 H HA 0.138 4.684 4.556 -0.017 0.000 0.260 177 H C 0.505 175.861 175.328 0.048 0.000 1.232 177 H CA -0.747 55.331 56.048 0.050 0.000 1.488 177 H CB 0.614 30.399 29.762 0.038 0.000 1.548 177 H HN 0.014 nan 8.280 nan 0.000 0.487 178 R N 2.162 122.753 120.500 0.150 0.000 2.377 178 R HA -0.102 4.228 4.340 -0.017 0.000 0.207 178 R C 0.690 177.044 176.300 0.089 0.000 1.075 178 R CA 0.495 56.656 56.100 0.101 0.000 1.035 178 R CB -0.218 30.130 30.300 0.080 0.000 0.857 178 R HN 0.780 nan 8.270 nan 0.000 0.475 179 D N -0.081 120.378 120.400 0.098 0.000 2.340 179 D HA -0.045 4.585 4.640 -0.017 0.000 0.220 179 D C 0.053 176.396 176.300 0.070 0.000 1.039 179 D CA 0.002 54.044 54.000 0.069 0.000 0.866 179 D CB 0.295 41.123 40.800 0.048 0.000 0.913 179 D HN -0.093 nan 8.370 nan 0.000 0.523 180 R N 0.642 121.196 120.500 0.090 0.000 2.598 180 R HA 0.554 4.884 4.340 -0.017 0.000 0.279 180 R C 0.541 176.877 176.300 0.061 0.000 0.984 180 R CA -0.671 55.476 56.100 0.078 0.000 0.999 180 R CB 1.254 31.614 30.300 0.099 0.000 1.114 180 R HN -0.006 nan 8.270 nan 0.000 0.493 181 G N 1.227 110.056 108.800 0.047 0.000 2.390 181 G HA2 0.165 4.115 3.960 -0.017 0.000 0.270 181 G HA3 0.165 4.115 3.960 -0.017 0.000 0.270 181 G C -0.480 174.418 174.900 -0.004 0.000 1.211 181 G CA -0.375 44.744 45.100 0.030 0.000 0.842 181 G HN 0.383 nan 8.290 nan 0.000 0.519 182 D N 0.614 120.997 120.400 -0.028 0.000 2.313 182 D HA 0.389 5.019 4.640 -0.017 0.000 0.247 182 D C 0.238 176.386 176.300 -0.254 0.000 1.094 182 D CA 0.410 54.319 54.000 -0.151 0.000 0.925 182 D CB 1.500 42.178 40.800 -0.204 0.000 1.188 182 D HN 0.183 nan 8.370 nan 0.000 0.430 183 T N 1.475 115.815 114.554 -0.356 0.000 2.823 183 T HA 0.456 4.796 4.350 -0.017 0.000 0.279 183 T C -0.665 173.748 174.700 -0.479 0.000 0.998 183 T CA -0.468 61.450 62.100 -0.305 0.000 0.994 183 T CB 0.486 69.261 68.868 -0.153 0.000 0.960 183 T HN 0.136 nan 8.240 nan 0.000 0.448 184 Y N 1.880 122.161 120.300 -0.033 0.000 2.462 184 Y HA 0.636 5.176 4.550 -0.017 0.000 0.346 184 Y C 0.247 176.143 175.900 -0.007 0.000 0.976 184 Y CA -1.075 57.023 58.100 -0.003 0.000 1.044 184 Y CB 1.920 40.379 38.460 -0.003 0.000 1.230 184 Y HN 0.555 nan 8.280 nan 0.000 0.455 185 N N 0.743 119.541 118.700 0.165 0.000 2.336 185 N HA 0.616 5.346 4.740 -0.017 0.000 0.290 185 N C -1.272 174.309 175.510 0.118 0.000 1.058 185 N CA -0.426 52.689 53.050 0.109 0.000 0.865 185 N CB 1.952 40.480 38.487 0.068 0.000 1.581 185 N HN 0.866 nan 8.380 nan 0.000 0.480 186 G N 1.480 110.348 108.800 0.115 0.000 2.566 186 G HA2 0.607 4.557 3.960 -0.017 0.000 0.311 186 G HA3 0.607 4.557 3.960 -0.017 0.000 0.311 186 G C -1.468 173.521 174.900 0.149 0.000 1.322 186 G CA -0.505 44.671 45.100 0.127 0.000 0.969 186 G HN 0.741 nan 8.290 nan 0.000 0.490 187 Q N 0.218 120.125 119.800 0.179 0.000 2.534 187 Q HA 0.795 5.125 4.340 -0.017 0.000 0.290 187 Q C -1.760 174.439 176.000 0.331 0.000 0.991 187 Q CA -1.159 54.772 55.803 0.212 0.000 0.783 187 Q CB 2.435 31.235 28.738 0.105 0.000 1.470 187 Q HN 0.980 nan 8.270 nan 0.000 0.406 188 F N -0.557 119.474 119.950 0.136 0.000 2.654 188 F HA 0.860 5.377 4.527 -0.017 0.000 0.308 188 F C -2.326 173.619 175.800 0.241 0.000 1.108 188 F CA -1.181 56.920 58.000 0.169 0.000 0.957 188 F CB 1.856 40.952 39.000 0.161 0.000 1.309 188 F HN 0.634 nan 8.300 nan 0.000 0.446 189 F N 1.939 121.871 119.950 -0.030 0.000 2.574 189 F HA 0.701 5.218 4.527 -0.017 0.000 0.313 189 F C -1.206 174.638 175.800 0.074 0.000 1.130 189 F CA -0.160 57.760 58.000 -0.134 0.000 0.936 189 F CB 2.098 40.973 39.000 -0.209 0.000 1.219 189 F HN 0.923 nan 8.300 nan 0.000 0.445 190 T N 3.542 117.725 114.554 -0.618 0.000 2.900 190 T HA 0.758 5.097 4.350 -0.017 0.000 0.303 190 T C -1.516 172.832 174.700 -0.586 0.000 1.142 190 T CA -0.176 61.753 62.100 -0.284 0.000 1.007 190 T CB 1.401 70.502 68.868 0.389 0.000 1.156 190 T HN 1.059 nan 8.240 nan 0.000 0.490 191 S N 1.569 117.041 115.700 -0.380 0.000 2.547 191 S HA 0.936 5.396 4.470 -0.017 0.000 0.270 191 S C -0.420 173.547 174.600 -1.056 0.000 1.150 191 S CA 0.006 57.836 58.200 -0.616 0.000 0.850 191 S CB 1.444 64.418 63.200 -0.375 0.000 1.118 191 S HN 1.622 nan 8.310 nan 0.000 0.461 192 G N 0.773 108.673 108.800 -1.501 0.000 2.316 192 G HA2 0.556 4.506 3.960 -0.017 0.000 0.296 192 G HA3 0.556 4.506 3.960 -0.017 0.000 0.296 192 G C -3.690 170.581 174.900 -1.047 0.000 1.399 192 G CA -0.654 43.422 45.100 -1.707 0.000 0.833 192 G HN 0.679 nan 8.290 nan 0.000 0.565 193 P HA 0.395 nan 4.420 nan 0.000 0.278 193 P C 0.494 177.933 177.300 0.232 0.000 1.238 193 P CA -0.425 62.644 63.100 -0.051 0.000 0.794 193 P CB 1.828 33.543 31.700 0.024 0.000 0.955 194 L N 1.312 122.670 121.223 0.226 0.000 2.362 194 L HA 0.237 4.567 4.340 -0.017 0.000 0.204 194 L C 0.646 177.628 176.870 0.187 0.000 1.060 194 L CA 0.680 55.681 54.840 0.268 0.000 0.827 194 L CB 0.046 42.260 42.059 0.258 0.000 1.027 194 L HN 0.251 nan 8.230 nan 0.000 0.474 195 I N -0.159 120.504 120.570 0.155 0.000 2.439 195 I HA 0.153 4.313 4.170 -0.017 0.000 0.283 195 I C -0.930 175.257 176.117 0.117 0.000 1.023 195 I CA -0.516 60.860 61.300 0.126 0.000 1.100 195 I CB 1.489 39.557 38.000 0.113 0.000 1.238 195 I HN -0.089 nan 8.210 nan 0.000 0.445 196 D N 5.357 125.818 120.400 0.101 0.000 2.531 196 D HA 0.343 4.972 4.640 -0.017 0.000 0.239 196 D C 1.279 177.621 176.300 0.070 0.000 1.144 196 D CA 1.614 55.661 54.000 0.078 0.000 0.869 196 D CB 0.420 41.263 40.800 0.072 0.000 1.160 196 D HN 0.910 nan 8.370 nan 0.000 0.484 197 G N 1.035 109.869 108.800 0.057 0.000 2.168 197 G HA2 -0.301 3.649 3.960 -0.017 0.000 0.263 197 G HA3 -0.301 3.649 3.960 -0.017 0.000 0.263 197 G C 0.793 175.739 174.900 0.077 0.000 0.977 197 G CA 0.473 45.603 45.100 0.051 0.000 0.659 197 G HN 0.461 nan 8.290 nan 0.000 0.533 198 V N -1.479 118.506 119.914 0.118 0.000 3.141 198 V HA 0.580 4.689 4.120 -0.017 0.000 0.225 198 V C 0.200 176.466 176.094 0.286 0.000 1.352 198 V CA 1.324 63.739 62.300 0.191 0.000 1.316 198 V CB 0.973 32.911 31.823 0.192 0.000 1.126 198 V HN 0.541 nan 8.190 nan 0.000 0.493 199 L N 0.539 121.898 121.223 0.227 0.000 2.516 199 L HA 0.867 5.197 4.340 -0.017 0.000 0.267 199 L C -0.473 176.513 176.870 0.193 0.000 0.957 199 L CA 0.290 55.280 54.840 0.250 0.000 0.860 199 L CB 1.492 43.673 42.059 0.204 0.000 1.265 199 L HN 0.175 nan 8.230 nan 0.000 0.403 200 G N 4.385 113.300 108.800 0.190 0.000 2.730 200 G HA2 0.791 4.741 3.960 -0.017 0.000 0.289 200 G HA3 0.791 4.741 3.960 -0.017 0.000 0.289 200 G C -1.385 173.590 174.900 0.126 0.000 1.341 200 G CA -0.629 44.530 45.100 0.098 0.000 0.932 200 G HN 0.845 nan 8.290 nan 0.000 0.481 201 M N -0.449 119.131 119.600 -0.033 0.000 2.569 201 M HA 0.774 5.244 4.480 -0.017 0.000 0.279 201 M C -1.655 174.504 176.300 -0.236 0.000 1.253 201 M CA -1.000 54.224 55.300 -0.127 0.000 0.867 201 M CB 2.805 35.336 32.600 -0.116 0.000 1.727 201 M HN 0.548 nan 8.290 nan 0.000 0.467 202 K N 1.466 121.725 120.400 -0.235 0.000 2.426 202 K HA 0.973 5.283 4.320 -0.017 0.000 0.251 202 K C -1.872 174.611 176.600 -0.194 0.000 0.941 202 K CA -0.841 55.291 56.287 -0.259 0.000 0.808 202 K CB 2.648 35.032 32.500 -0.194 0.000 1.265 202 K HN 0.932 nan 8.250 nan 0.000 0.432 203 A N 1.997 124.699 122.820 -0.196 0.000 2.449 203 A HA 0.768 5.077 4.320 -0.017 0.000 0.302 203 A C -1.696 175.741 177.584 -0.245 0.000 1.048 203 A CA -0.799 51.165 52.037 -0.122 0.000 0.708 203 A CB 0.829 19.886 19.000 0.095 0.000 1.274 203 A HN 0.871 nan 8.150 nan 0.000 0.410 204 Y N -0.970 119.031 120.300 -0.500 0.000 2.744 204 Y HA 0.902 5.441 4.550 -0.017 0.000 0.330 204 Y C 0.043 175.535 175.900 -0.681 0.000 1.263 204 Y CA -0.815 56.755 58.100 -0.883 0.000 1.065 204 Y CB 0.868 39.124 38.460 -0.339 0.000 1.306 204 Y HN 1.729 nan 8.280 nan 0.000 0.459 205 G N 0.058 108.578 108.800 -0.467 0.000 2.358 205 G HA2 0.533 4.483 3.960 -0.017 0.000 0.301 205 G HA3 0.533 4.483 3.960 -0.017 0.000 0.301 205 G C -1.719 173.216 174.900 0.058 0.000 1.539 205 G CA -0.432 44.602 45.100 -0.110 0.000 0.893 205 G HN 1.486 nan 8.290 nan 0.000 0.636 206 S N -0.853 114.908 115.700 0.102 0.000 2.607 206 S HA 0.861 5.321 4.470 -0.017 0.000 0.273 206 S C -1.265 173.409 174.600 0.124 0.000 1.148 206 S CA -0.930 57.342 58.200 0.121 0.000 0.833 206 S CB 2.026 65.265 63.200 0.065 0.000 1.130 206 S HN 0.986 nan 8.310 nan 0.000 0.470 207 L N 1.342 122.638 121.223 0.122 0.000 2.406 207 L HA 0.816 5.146 4.340 -0.017 0.000 0.272 207 L C -0.373 176.554 176.870 0.094 0.000 0.980 207 L CA -0.694 54.210 54.840 0.107 0.000 0.831 207 L CB 1.797 43.916 42.059 0.102 0.000 1.253 207 L HN 1.035 nan 8.230 nan 0.000 0.406 208 A N 3.839 126.711 122.820 0.087 0.000 2.374 208 A HA 0.826 5.136 4.320 -0.017 0.000 0.317 208 A C -1.047 176.520 177.584 -0.028 0.000 1.094 208 A CA -0.630 51.439 52.037 0.052 0.000 0.765 208 A CB 1.992 21.052 19.000 0.100 0.000 1.268 208 A HN 0.628 nan 8.150 nan 0.000 0.438 209 K N 1.577 121.924 120.400 -0.087 0.000 2.615 209 K HA 0.403 4.713 4.320 -0.017 0.000 0.249 209 K C -1.233 175.233 176.600 -0.223 0.000 0.977 209 K CA -0.430 55.767 56.287 -0.150 0.000 0.833 209 K CB 1.472 33.978 32.500 0.010 0.000 1.208 209 K HN 0.793 nan 8.250 nan 0.000 0.443 210 R N 3.502 123.708 120.500 -0.490 0.000 2.387 210 R HA 0.215 4.545 4.340 -0.017 0.000 0.314 210 R C -0.787 175.419 176.300 -0.157 0.000 0.958 210 R CA -0.466 55.428 56.100 -0.344 0.000 0.846 210 R CB 1.126 31.133 30.300 -0.488 0.000 1.147 210 R HN 0.684 nan 8.270 nan 0.000 0.447 211 E N 2.209 122.386 120.200 -0.039 0.000 2.408 211 E HA -0.021 4.318 4.350 -0.017 0.000 0.259 211 E C -0.531 176.082 176.600 0.021 0.000 1.110 211 E CA -0.136 56.273 56.400 0.016 0.000 0.929 211 E CB 0.702 30.436 29.700 0.057 0.000 0.971 211 E HN 0.235 nan 8.360 nan 0.000 0.438 212 K N 1.499 121.923 120.400 0.041 0.000 2.202 212 K HA 0.031 4.341 4.320 -0.017 0.000 0.264 212 K C -0.876 175.755 176.600 0.052 0.000 1.010 212 K CA -0.205 56.114 56.287 0.054 0.000 0.940 212 K CB 0.554 33.089 32.500 0.058 0.000 0.983 212 K HN 0.231 nan 8.250 nan 0.000 0.475 213 D N 3.221 123.655 120.400 0.056 0.000 2.343 213 D HA 0.053 4.683 4.640 -0.017 0.000 0.255 213 D C -0.261 176.066 176.300 0.045 0.000 1.187 213 D CA 0.006 54.037 54.000 0.052 0.000 0.875 213 D CB 0.477 41.308 40.800 0.052 0.000 1.136 213 D HN 0.491 nan 8.370 nan 0.000 0.469 231 G N 0.733 109.630 108.800 0.163 0.000 2.400 231 G HA2 0.766 4.716 3.960 -0.017 0.000 0.333 231 G HA3 0.766 4.716 3.960 -0.017 0.000 0.333 231 G C -1.010 174.040 174.900 0.250 0.000 1.143 231 G CA -0.687 44.502 45.100 0.149 0.000 0.914 231 G HN 0.704 nan 8.290 nan 0.000 0.480 232 F N -0.284 119.687 119.950 0.035 0.000 2.713 232 F HA 0.809 5.326 4.527 -0.017 0.000 0.311 232 F C -0.491 175.333 175.800 0.040 0.000 1.141 232 F CA -1.278 56.738 58.000 0.027 0.000 0.939 232 F CB 1.676 40.678 39.000 0.005 0.000 1.325 232 F HN 0.696 nan 8.300 nan 0.000 0.453 233 S N 0.909 116.716 115.700 0.178 0.000 2.536 233 S HA 0.858 5.317 4.470 -0.017 0.000 0.287 233 S C -1.083 173.657 174.600 0.233 0.000 1.101 233 S CA -0.031 58.227 58.200 0.097 0.000 0.950 233 S CB 1.441 64.673 63.200 0.052 0.000 1.056 233 S HN 1.598 nan 8.310 nan 0.000 0.481 234 S N 1.752 117.572 115.700 0.199 0.000 2.569 234 S HA 0.797 5.256 4.470 -0.017 0.000 0.280 234 S C -0.938 173.734 174.600 0.120 0.000 1.111 234 S CA -0.963 57.343 58.200 0.177 0.000 0.887 234 S CB 1.908 65.235 63.200 0.212 0.000 1.095 234 S HN 0.993 nan 8.310 nan 0.000 0.476 235 R N 0.924 121.481 120.500 0.095 0.000 2.628 235 R HA 0.516 4.845 4.340 -0.017 0.000 0.288 235 R C -2.067 174.269 176.300 0.061 0.000 0.980 235 R CA -0.372 55.787 56.100 0.098 0.000 0.891 235 R CB 1.536 31.914 30.300 0.130 0.000 1.188 235 R HN 0.889 nan 8.270 nan 0.000 0.450 236 D N 2.516 122.958 120.400 0.071 0.000 2.879 236 D HA 0.490 5.120 4.640 -0.017 0.000 0.236 236 D C -1.430 174.897 176.300 0.044 0.000 1.171 236 D CA -0.394 53.621 54.000 0.025 0.000 0.868 236 D CB 2.276 43.059 40.800 -0.028 0.000 1.598 236 D HN 0.726 nan 8.370 nan 0.000 0.497 237 G N 2.258 111.070 108.800 0.020 0.000 2.731 237 G HA2 0.451 4.401 3.960 -0.017 0.000 0.298 237 G HA3 0.451 4.401 3.960 -0.017 0.000 0.298 237 G C -1.274 173.522 174.900 -0.174 0.000 1.424 237 G CA -0.574 44.520 45.100 -0.009 0.000 1.029 237 G HN 0.462 nan 8.290 nan 0.000 0.518 238 N N -0.194 118.267 118.700 -0.397 0.000 2.331 238 N HA 0.598 5.328 4.740 -0.017 0.000 0.280 238 N C -1.694 173.538 175.510 -0.464 0.000 1.155 238 N CA -0.430 52.278 53.050 -0.571 0.000 0.822 238 N CB 3.098 40.847 38.487 -1.230 0.000 1.619 238 N HN 0.476 nan 8.380 nan 0.000 0.476 239 V N 0.602 120.373 119.914 -0.238 0.000 2.925 239 V HA 0.547 4.657 4.120 -0.017 0.000 0.311 239 V C -1.256 174.741 176.094 -0.161 0.000 1.104 239 V CA -0.409 61.772 62.300 -0.199 0.000 0.954 239 V CB 2.363 34.113 31.823 -0.121 0.000 1.022 239 V HN 0.730 nan 8.190 nan 0.000 0.427 240 E N 3.889 123.934 120.200 -0.259 0.000 2.290 240 E HA 0.485 4.825 4.350 -0.017 0.000 0.274 240 E C -1.997 174.417 176.600 -0.311 0.000 0.889 240 E CA -0.495 55.819 56.400 -0.143 0.000 0.760 240 E CB 1.873 31.587 29.700 0.023 0.000 1.206 240 E HN 0.573 nan 8.360 nan 0.000 0.419 241 F N 1.411 121.442 119.950 0.135 0.000 2.458 241 F HA 0.680 5.197 4.527 -0.017 0.000 0.330 241 F C 0.365 176.265 175.800 0.166 0.000 1.082 241 F CA -0.675 57.406 58.000 0.135 0.000 0.995 241 F CB 2.022 41.101 39.000 0.130 0.000 1.170 241 F HN 0.419 nan 8.300 nan 0.000 0.478 242 A N 2.503 125.533 122.820 0.350 0.000 2.335 242 A HA 0.536 4.846 4.320 -0.017 0.000 0.304 242 A C -2.176 175.642 177.584 0.390 0.000 1.118 242 A CA -0.464 51.758 52.037 0.308 0.000 0.757 242 A CB 0.498 19.605 19.000 0.177 0.000 1.188 242 A HN 0.786 nan 8.150 nan 0.000 0.460 243 W N 3.412 124.846 121.300 0.224 0.000 2.417 243 W HA 0.574 5.224 4.660 -0.017 0.000 0.315 243 W C -0.244 176.435 176.519 0.267 0.000 1.045 243 W CA -0.525 56.939 57.345 0.199 0.000 1.221 243 W CB 1.729 31.273 29.460 0.140 0.000 1.309 243 W HN 0.696 nan 8.180 nan 0.000 0.453 244 T N 5.281 119.838 114.554 0.005 0.000 3.250 244 T HA 0.274 4.614 4.350 -0.017 0.000 0.391 244 T C -1.651 172.897 174.700 -0.254 0.000 1.502 244 T CA -1.715 60.310 62.100 -0.125 0.000 1.320 244 T CB 1.239 70.100 68.868 -0.012 0.000 1.102 244 T HN 0.323 nan 8.240 nan 0.000 0.610 245 P HA -0.095 nan 4.420 nan 0.000 0.216 245 P C 0.240 177.472 177.300 -0.113 0.000 1.150 245 P CA 1.227 64.106 63.100 -0.369 0.000 0.837 245 P CB 0.106 31.447 31.700 -0.599 0.000 0.786 246 N N -1.636 117.008 118.700 -0.092 0.000 3.316 246 N HA 0.027 4.757 4.740 -0.017 0.000 0.300 246 N C 0.758 176.244 175.510 -0.038 0.000 1.567 246 N CA -0.733 52.299 53.050 -0.030 0.000 0.821 246 N CB -0.309 38.177 38.487 -0.002 0.000 1.748 246 N HN -0.219 nan 8.380 nan 0.000 0.603 247 Q N -0.774 119.002 119.800 -0.041 0.000 2.472 247 Q HA 0.068 4.398 4.340 -0.017 0.000 0.208 247 Q C -0.558 175.363 176.000 -0.131 0.000 0.958 247 Q CA 1.092 56.852 55.803 -0.071 0.000 0.932 247 Q CB -0.396 28.308 28.738 -0.057 0.000 1.007 247 Q HN 0.567 nan 8.270 nan 0.000 0.508 248 N N 0.182 118.789 118.700 -0.154 0.000 2.282 248 N HA 0.066 4.796 4.740 -0.017 0.000 0.185 248 N C -0.416 174.667 175.510 -0.712 0.000 1.099 248 N CA 0.200 53.023 53.050 -0.378 0.000 0.878 248 N CB 0.503 38.764 38.487 -0.376 0.000 0.993 248 N HN 0.340 nan 8.380 nan 0.000 0.481 249 H N 0.430 119.333 119.070 -0.278 0.000 2.689 249 H HA 0.318 4.864 4.556 -0.017 0.000 0.346 249 H C -1.009 174.142 175.328 -0.295 0.000 1.037 249 H CA -0.509 55.341 56.048 -0.330 0.000 1.234 249 H CB 1.781 31.454 29.762 -0.148 0.000 1.572 249 H HN -0.082 nan 8.280 nan 0.000 0.524 250 D N 3.322 123.509 120.400 -0.353 0.000 2.391 250 D HA 0.295 4.925 4.640 -0.017 0.000 0.245 250 D C -0.478 175.656 176.300 -0.277 0.000 1.069 250 D CA -0.215 53.661 54.000 -0.207 0.000 0.831 250 D CB 1.542 42.226 40.800 -0.193 0.000 1.204 250 D HN 0.231 nan 8.370 nan 0.000 0.503 251 F N 0.555 120.569 119.950 0.107 0.000 2.508 251 F HA 0.514 5.031 4.527 -0.016 0.000 0.325 251 F C 0.915 176.866 175.800 0.252 0.000 1.090 251 F CA -0.615 57.533 58.000 0.247 0.000 0.945 251 F CB 2.199 41.432 39.000 0.390 0.000 1.156 251 F HN 0.092 nan 8.300 nan 0.000 0.463 252 T N -0.337 114.465 114.554 0.413 0.000 2.906 252 T HA 0.930 5.270 4.350 -0.017 0.000 0.295 252 T C -1.220 173.697 174.700 0.362 0.000 1.075 252 T CA -0.984 61.321 62.100 0.341 0.000 1.005 252 T CB 1.956 70.956 68.868 0.220 0.000 1.136 252 T HN 1.015 nan 8.240 nan 0.000 0.498 253 A N 0.369 123.400 122.820 0.353 0.000 2.465 253 A HA 0.894 5.203 4.320 -0.017 0.000 0.292 253 A C -0.223 177.578 177.584 0.361 0.000 1.041 253 A CA -0.364 51.887 52.037 0.357 0.000 0.718 253 A CB 1.271 20.477 19.000 0.342 0.000 1.266 253 A HN 1.604 nan 8.150 nan 0.000 0.403 254 G N -0.009 108.986 108.800 0.326 0.000 2.660 254 G HA2 0.668 4.617 3.960 -0.017 0.000 0.294 254 G HA3 0.668 4.617 3.960 -0.017 0.000 0.294 254 G C -1.822 173.294 174.900 0.361 0.000 1.369 254 G CA -0.555 44.711 45.100 0.278 0.000 0.912 254 G HN 1.490 nan 8.290 nan 0.000 0.479 255 Y N -0.224 120.177 120.300 0.168 0.000 2.562 255 Y HA 0.740 5.279 4.550 -0.017 0.000 0.345 255 Y C -0.085 175.884 175.900 0.115 0.000 1.045 255 Y CA -0.297 57.925 58.100 0.202 0.000 1.028 255 Y CB 2.291 40.883 38.460 0.219 0.000 1.297 255 Y HN 1.055 nan 8.280 nan 0.000 0.463 256 G N 2.804 111.086 108.800 -0.863 0.000 2.677 256 G HA2 0.553 4.503 3.960 -0.017 0.000 0.291 256 G HA3 0.553 4.503 3.960 -0.017 0.000 0.291 256 G C -2.710 171.886 174.900 -0.507 0.000 1.435 256 G CA -0.751 43.995 45.100 -0.590 0.000 0.826 256 G HN 0.635 nan 8.290 nan 0.000 0.491 257 F N 0.598 120.361 119.950 -0.312 0.000 2.596 257 F HA 0.623 5.140 4.527 -0.017 0.000 0.311 257 F C -1.650 174.181 175.800 0.051 0.000 1.116 257 F CA -0.947 56.999 58.000 -0.090 0.000 0.957 257 F CB 2.398 41.401 39.000 0.005 0.000 1.250 257 F HN 0.376 nan 8.300 nan 0.000 0.444 258 D N 4.409 124.448 120.400 -0.601 0.000 2.879 258 D HA 0.366 4.996 4.640 -0.017 0.000 0.236 258 D C -1.380 174.598 176.300 -0.538 0.000 1.171 258 D CA -0.580 53.223 54.000 -0.328 0.000 0.868 258 D CB 2.994 43.919 40.800 0.209 0.000 1.598 258 D HN 0.595 nan 8.370 nan 0.000 0.497 259 R N 1.509 121.848 120.500 -0.268 0.000 2.575 259 R HA 0.334 4.664 4.340 -0.017 0.000 0.293 259 R C -1.225 175.109 176.300 0.057 0.000 0.983 259 R CA -0.489 55.543 56.100 -0.113 0.000 0.887 259 R CB 1.619 31.886 30.300 -0.055 0.000 1.184 259 R HN 0.355 nan 8.270 nan 0.000 0.445 260 Q N 2.618 122.477 119.800 0.099 0.000 2.337 260 Q HA 0.298 4.627 4.340 -0.017 0.000 0.270 260 Q C -1.473 174.575 176.000 0.080 0.000 1.043 260 Q CA -1.063 54.808 55.803 0.113 0.000 0.794 260 Q CB 2.743 31.555 28.738 0.122 0.000 1.281 260 Q HN 0.517 nan 8.270 nan 0.000 0.446 261 D N 2.313 122.780 120.400 0.111 0.000 2.308 261 D HA 0.371 5.001 4.640 -0.017 0.000 0.242 261 D C -0.498 175.873 176.300 0.120 0.000 1.059 261 D CA -0.338 53.718 54.000 0.094 0.000 0.830 261 D CB 1.384 42.241 40.800 0.095 0.000 1.161 261 D HN 0.152 nan 8.370 nan 0.000 0.494 262 R N 1.492 122.033 120.500 0.069 0.000 2.664 262 R HA 0.457 4.787 4.340 -0.017 0.000 0.286 262 R C -0.900 175.455 176.300 0.092 0.000 0.967 262 R CA -0.867 55.282 56.100 0.081 0.000 0.933 262 R CB 1.555 31.834 30.300 -0.034 0.000 1.146 262 R HN 0.418 nan 8.270 nan 0.000 0.468 263 D N 0.879 121.347 120.400 0.114 0.000 2.386 263 D HA 0.119 4.749 4.640 -0.017 0.000 0.247 263 D C -0.668 175.693 176.300 0.101 0.000 1.336 263 D CA -0.593 53.465 54.000 0.097 0.000 0.976 263 D CB 1.245 42.094 40.800 0.082 0.000 1.257 263 D HN 0.451 nan 8.370 nan 0.000 0.570 271 R N 0.457 120.972 120.500 0.025 0.000 2.409 271 R HA 0.520 4.850 4.340 -0.017 0.000 0.313 271 R C -1.479 174.811 176.300 -0.017 0.000 0.953 271 R CA -0.684 55.427 56.100 0.018 0.000 0.849 271 R CB 0.786 31.111 30.300 0.042 0.000 1.171 271 R HN 0.534 nan 8.270 nan 0.000 0.458 272 L N 3.800 124.993 121.223 -0.050 0.000 2.272 272 L HA 0.416 4.746 4.340 -0.017 0.000 0.289 272 L C -0.790 176.001 176.870 -0.131 0.000 1.032 272 L CA 0.153 54.908 54.840 -0.140 0.000 0.810 272 L CB 1.465 43.379 42.059 -0.242 0.000 1.205 272 L HN 0.645 nan 8.230 nan 0.000 0.422 273 E N 4.796 124.908 120.200 -0.146 0.000 2.199 273 E HA 0.558 4.898 4.350 -0.017 0.000 0.269 273 E C -1.069 175.423 176.600 -0.180 0.000 0.899 273 E CA -0.886 55.432 56.400 -0.136 0.000 0.772 273 E CB 2.461 32.186 29.700 0.043 0.000 1.155 273 E HN 0.415 nan 8.360 nan 0.000 0.408 274 R N 2.243 122.625 120.500 -0.198 0.000 2.621 274 R HA 0.274 4.604 4.340 -0.017 0.000 0.284 274 R C -1.258 175.082 176.300 0.066 0.000 0.998 274 R CA -0.392 55.652 56.100 -0.094 0.000 0.895 274 R CB 1.487 31.719 30.300 -0.113 0.000 1.195 274 R HN 0.515 nan 8.270 nan 0.000 0.450 275 Q N 2.143 122.043 119.800 0.167 0.000 2.365 275 Q HA 0.348 4.678 4.340 -0.017 0.000 0.269 275 Q C -1.222 174.796 176.000 0.030 0.000 1.061 275 Q CA -1.103 54.849 55.803 0.248 0.000 0.816 275 Q CB 2.573 31.610 28.738 0.498 0.000 1.325 275 Q HN 0.740 nan 8.270 nan 0.000 0.446 276 N N 0.070 118.712 118.700 -0.097 0.000 2.284 276 N HA 0.666 5.396 4.740 -0.017 0.000 0.289 276 N C -1.767 173.647 175.510 -0.160 0.000 1.179 276 N CA -0.570 52.278 53.050 -0.337 0.000 0.774 276 N CB 1.325 39.720 38.487 -0.153 0.000 1.548 276 N HN 0.499 nan 8.380 nan 0.000 0.473 277 Y N -1.610 118.794 120.300 0.174 0.000 2.521 277 Y HA 0.776 5.315 4.550 -0.017 0.000 0.332 277 Y C -1.099 174.920 175.900 0.198 0.000 1.121 277 Y CA -1.160 57.093 58.100 0.255 0.000 1.037 277 Y CB 1.394 40.080 38.460 0.377 0.000 1.330 277 Y HN 0.854 nan 8.280 nan 0.000 0.452 278 S N 0.903 116.826 115.700 0.371 0.000 2.570 278 S HA 0.836 5.296 4.470 -0.017 0.000 0.270 278 S C -2.189 172.628 174.600 0.363 0.000 1.149 278 S CA -0.772 57.605 58.200 0.294 0.000 0.837 278 S CB 1.834 65.130 63.200 0.161 0.000 1.124 278 S HN 1.421 nan 8.310 nan 0.000 0.465 279 V N 1.041 121.190 119.914 0.392 0.000 2.808 279 V HA 0.861 4.971 4.120 -0.017 0.000 0.308 279 V C -1.147 175.158 176.094 0.352 0.000 1.099 279 V CA -0.031 62.501 62.300 0.387 0.000 0.920 279 V CB 2.032 34.107 31.823 0.420 0.000 1.014 279 V HN 1.212 nan 8.190 nan 0.000 0.425 280 S N 4.914 120.808 115.700 0.323 0.000 2.595 280 S HA 0.673 5.133 4.470 -0.017 0.000 0.281 280 S C -1.497 173.259 174.600 0.260 0.000 1.117 280 S CA -0.552 57.803 58.200 0.259 0.000 0.873 280 S CB 1.691 64.986 63.200 0.159 0.000 1.108 280 S HN 0.974 nan 8.310 nan 0.000 0.477 281 H N 1.302 120.389 119.070 0.028 0.000 2.771 281 H HA 0.488 5.034 4.556 -0.017 0.000 0.361 281 H C -1.750 173.478 175.328 -0.167 0.000 1.108 281 H CA -0.581 55.310 56.048 -0.262 0.000 1.201 281 H CB 1.130 30.723 29.762 -0.283 0.000 1.681 281 H HN 0.620 nan 8.280 nan 0.000 0.534 282 N N 2.078 120.266 118.700 -0.853 0.000 2.399 282 N HA 0.396 5.125 4.740 -0.017 0.000 0.280 282 N C -0.721 174.191 175.510 -0.996 0.000 1.008 282 N CA -0.397 52.252 53.050 -0.668 0.000 0.894 282 N CB 2.197 40.470 38.487 -0.357 0.000 1.273 282 N HN 0.673 nan 8.380 nan 0.000 0.486 283 G N 1.121 109.443 108.800 -0.796 0.000 2.416 283 G HA2 0.555 4.505 3.960 -0.017 0.000 0.329 283 G HA3 0.555 4.505 3.960 -0.017 0.000 0.329 283 G C -0.674 173.740 174.900 -0.810 0.000 1.173 283 G CA -0.622 43.897 45.100 -0.969 0.000 0.929 283 G HN 0.422 nan 8.290 nan 0.000 0.475 284 R N 1.275 121.165 120.500 -1.017 0.000 2.320 284 R HA 0.335 4.665 4.340 -0.017 0.000 0.319 284 R C -0.974 174.992 176.300 -0.557 0.000 0.969 284 R CA -0.494 55.265 56.100 -0.569 0.000 0.857 284 R CB 1.360 31.434 30.300 -0.376 0.000 1.160 284 R HN 0.597 nan 8.270 nan 0.000 0.491 285 W N 1.295 122.568 121.300 -0.045 0.000 2.568 285 W HA 0.292 4.942 4.660 -0.017 0.000 0.396 285 W C 1.158 177.670 176.519 -0.010 0.000 1.554 285 W CA -0.681 56.690 57.345 0.044 0.000 1.605 285 W CB 0.369 29.940 29.460 0.185 0.000 1.543 285 W HN 0.415 nan 8.180 nan 0.000 0.692 286 D N -0.499 120.043 120.400 0.237 0.000 2.104 286 D HA -0.205 4.425 4.640 -0.017 0.000 0.194 286 D C 1.382 177.519 176.300 -0.273 0.000 0.994 286 D CA 2.032 55.956 54.000 -0.127 0.000 0.830 286 D CB -0.191 40.433 40.800 -0.294 0.000 0.959 286 D HN 0.328 nan 8.370 nan 0.000 0.452 287 Y N -0.519 119.905 120.300 0.206 0.000 2.445 287 Y HA 0.426 4.967 4.550 -0.016 0.000 0.247 287 Y C 1.363 177.338 175.900 0.125 0.000 1.129 287 Y CA 0.014 58.204 58.100 0.151 0.000 1.251 287 Y CB 1.405 39.952 38.460 0.145 0.000 1.176 287 Y HN -0.047 nan 8.280 nan 0.000 0.522 288 G N -1.228 107.724 108.800 0.254 0.000 2.490 288 G HA2 0.441 4.391 3.960 -0.017 0.000 0.308 288 G HA3 0.441 4.391 3.960 -0.017 0.000 0.308 288 G C -1.413 173.486 174.900 -0.001 0.000 1.286 288 G CA -0.679 44.401 45.100 -0.034 0.000 0.825 288 G HN -0.255 nan 8.290 nan 0.000 0.479 289 T N 0.636 115.048 114.554 -0.238 0.000 2.879 289 T HA 0.687 5.027 4.350 -0.017 0.000 0.290 289 T C -0.129 174.553 174.700 -0.030 0.000 0.993 289 T CA -0.078 61.989 62.100 -0.056 0.000 0.975 289 T CB 1.297 70.114 68.868 -0.085 0.000 0.981 289 T HN 1.186 nan 8.240 nan 0.000 0.439 290 S N 2.500 118.350 115.700 0.251 0.000 2.568 290 S HA 0.803 5.262 4.470 -0.017 0.000 0.302 290 S C -0.941 173.754 174.600 0.157 0.000 1.082 290 S CA -0.803 57.602 58.200 0.341 0.000 1.009 290 S CB 2.416 66.037 63.200 0.702 0.000 1.069 290 S HN 0.779 nan 8.310 nan 0.000 0.500 291 E N 0.674 120.971 120.200 0.163 0.000 2.340 291 E HA 0.691 5.031 4.350 -0.017 0.000 0.273 291 E C -2.167 174.540 176.600 0.178 0.000 0.891 291 E CA -0.924 55.537 56.400 0.103 0.000 0.757 291 E CB 1.760 31.502 29.700 0.069 0.000 1.231 291 E HN 0.614 nan 8.360 nan 0.000 0.439 292 L N 3.804 125.138 121.223 0.186 0.000 2.543 292 L HA 0.479 4.809 4.340 -0.017 0.000 0.265 292 L C -1.987 175.028 176.870 0.242 0.000 0.945 292 L CA -0.233 54.747 54.840 0.233 0.000 0.869 292 L CB 1.569 43.798 42.059 0.283 0.000 1.294 292 L HN 0.608 nan 8.230 nan 0.000 0.405 293 K N 3.529 124.087 120.400 0.263 0.000 2.501 293 K HA 0.452 4.761 4.320 -0.017 0.000 0.252 293 K C -1.914 174.901 176.600 0.358 0.000 0.934 293 K CA -0.851 55.620 56.287 0.306 0.000 0.797 293 K CB 2.304 34.967 32.500 0.272 0.000 1.270 293 K HN 0.448 nan 8.250 nan 0.000 0.431 294 Y N 3.254 123.724 120.300 0.283 0.000 2.341 294 Y HA 0.515 5.054 4.550 -0.017 0.000 0.337 294 Y C -1.579 174.534 175.900 0.355 0.000 1.014 294 Y CA -0.582 57.663 58.100 0.242 0.000 1.111 294 Y CB 1.146 39.722 38.460 0.193 0.000 1.194 294 Y HN 0.670 nan 8.280 nan 0.000 0.462 295 Y N 2.855 122.554 120.300 -1.000 0.000 2.552 295 Y HA 0.876 5.415 4.550 -0.018 0.000 0.337 295 Y C -0.862 174.608 175.900 -0.716 0.000 1.094 295 Y CA -1.271 56.333 58.100 -0.827 0.000 1.028 295 Y CB 1.261 39.541 38.460 -0.300 0.000 1.321 295 Y HN 0.888 nan 8.280 nan 0.000 0.456 296 G N 1.323 109.874 108.800 -0.415 0.000 2.672 296 G HA2 0.648 4.598 3.960 -0.017 0.000 0.292 296 G HA3 0.648 4.598 3.960 -0.017 0.000 0.292 296 G C -2.045 172.505 174.900 -0.584 0.000 1.375 296 G CA -1.118 43.811 45.100 -0.284 0.000 0.890 296 G HN 1.008 nan 8.290 nan 0.000 0.476 297 E N -0.327 119.691 120.200 -0.304 0.000 2.372 297 E HA 0.564 4.904 4.350 -0.017 0.000 0.279 297 E C -1.561 175.027 176.600 -0.021 0.000 0.946 297 E CA -1.044 55.199 56.400 -0.262 0.000 0.769 297 E CB 2.447 32.057 29.700 -0.150 0.000 1.230 297 E HN 0.298 nan 8.360 nan 0.000 0.442 298 K N 1.416 121.851 120.400 0.057 0.000 2.345 298 K HA 0.558 4.868 4.320 -0.017 0.000 0.255 298 K C -1.302 175.314 176.600 0.027 0.000 0.934 298 K CA -0.910 55.442 56.287 0.108 0.000 0.801 298 K CB 2.477 35.110 32.500 0.221 0.000 1.137 298 K HN 0.328 nan 8.250 nan 0.000 0.424 299 V N 2.761 122.659 119.914 -0.028 0.000 2.531 299 V HA 0.291 4.401 4.120 -0.017 0.000 0.301 299 V C -0.718 175.332 176.094 -0.073 0.000 1.034 299 V CA -0.878 61.352 62.300 -0.117 0.000 0.865 299 V CB 1.798 33.481 31.823 -0.234 0.000 0.995 299 V HN 0.748 nan 8.190 nan 0.000 0.424 300 E N 3.216 123.377 120.200 -0.066 0.000 2.199 300 E HA 0.466 4.806 4.350 -0.017 0.000 0.269 300 E C -0.982 175.578 176.600 -0.068 0.000 0.899 300 E CA -0.758 55.624 56.400 -0.030 0.000 0.772 300 E CB 2.282 31.998 29.700 0.028 0.000 1.155 300 E HN 0.560 nan 8.360 nan 0.000 0.408 301 N N 2.883 121.559 118.700 -0.040 0.000 2.531 301 N HA 0.154 4.883 4.740 -0.017 0.000 0.268 301 N C -1.682 173.840 175.510 0.020 0.000 1.023 301 N CA -0.716 52.312 53.050 -0.038 0.000 0.896 301 N CB 0.912 39.365 38.487 -0.056 0.000 1.233 301 N HN 0.206 nan 8.380 nan 0.000 0.512 302 K N 2.513 122.928 120.400 0.025 0.000 2.265 302 K HA 0.451 4.761 4.320 -0.017 0.000 0.267 302 K C -0.941 175.690 176.600 0.052 0.000 0.994 302 K CA -0.532 55.782 56.287 0.045 0.000 0.860 302 K CB 0.375 32.902 32.500 0.046 0.000 1.099 302 K HN 0.424 nan 8.250 nan 0.000 0.448 303 N N 5.523 124.261 118.700 0.063 0.000 2.443 303 N HA 0.236 4.966 4.740 -0.017 0.000 0.295 303 N C -2.062 173.482 175.510 0.057 0.000 1.076 303 N CA -1.681 51.410 53.050 0.067 0.000 0.919 303 N CB 1.603 40.138 38.487 0.080 0.000 1.176 303 N HN 0.455 nan 8.380 nan 0.000 0.487 304 P HA -0.056 nan 4.420 nan 0.000 0.225 304 P C 0.956 178.281 177.300 0.041 0.000 1.148 304 P CA 0.889 64.017 63.100 0.046 0.000 0.779 304 P CB 0.173 31.901 31.700 0.046 0.000 0.780 305 G N 0.038 108.864 108.800 0.043 0.000 3.088 305 G HA2 -0.012 3.938 3.960 -0.017 0.000 0.212 305 G HA3 -0.012 3.938 3.960 -0.017 0.000 0.212 305 G C 0.408 175.328 174.900 0.033 0.000 1.173 305 G CA -0.184 44.937 45.100 0.035 0.000 0.779 305 G HN 0.391 nan 8.290 nan 0.000 0.540 306 N N -1.147 117.576 118.700 0.038 0.000 2.455 306 N HA 0.176 4.906 4.740 -0.017 0.000 0.278 306 N C 0.970 176.501 175.510 0.035 0.000 1.291 306 N CA -0.013 53.058 53.050 0.034 0.000 0.780 306 N CB 1.160 39.669 38.487 0.036 0.000 1.520 306 N HN -0.091 nan 8.380 nan 0.000 0.486 307 S N -0.304 115.414 115.700 0.030 0.000 2.402 307 S HA -0.022 4.438 4.470 -0.017 0.000 0.229 307 S C 0.769 175.391 174.600 0.036 0.000 1.021 307 S CA 0.766 58.984 58.200 0.030 0.000 0.974 307 S CB -0.604 62.611 63.200 0.024 0.000 0.800 307 S HN 0.877 nan 8.310 nan 0.000 0.484 308 S N 1.676 117.400 115.700 0.041 0.000 2.566 308 S HA 0.729 5.189 4.470 -0.017 0.000 0.298 308 S C -3.183 171.452 174.600 0.057 0.000 1.083 308 S CA -1.837 56.391 58.200 0.048 0.000 0.978 308 S CB 1.946 65.175 63.200 0.048 0.000 1.073 308 S HN 0.176 nan 8.310 nan 0.000 0.491 309 P HA 0.384 nan 4.420 nan 0.000 0.276 309 P C -0.671 176.674 177.300 0.076 0.000 1.252 309 P CA -0.655 62.482 63.100 0.063 0.000 0.802 309 P CB 0.469 32.200 31.700 0.052 0.000 1.035 310 I N 1.139 121.762 120.570 0.089 0.000 2.416 310 I HA 0.182 4.342 4.170 -0.017 0.000 0.288 310 I C 1.122 177.276 176.117 0.061 0.000 1.051 310 I CA 0.232 61.599 61.300 0.111 0.000 1.375 310 I CB 0.677 38.787 38.000 0.183 0.000 1.407 310 I HN 0.379 nan 8.210 nan 0.000 0.516 311 T N 2.047 116.638 114.554 0.063 0.000 2.887 311 T HA 0.724 5.064 4.350 -0.017 0.000 0.288 311 T C -0.396 174.320 174.700 0.028 0.000 1.021 311 T CA -0.783 61.338 62.100 0.036 0.000 1.000 311 T CB 1.882 70.782 68.868 0.053 0.000 1.034 311 T HN 0.618 nan 8.240 nan 0.000 0.467 312 S N 0.892 116.591 115.700 -0.002 0.000 2.546 312 S HA 0.664 5.123 4.470 -0.017 0.000 0.274 312 S C -1.340 173.266 174.600 0.010 0.000 1.121 312 S CA -0.784 57.411 58.200 -0.008 0.000 0.887 312 S CB 2.145 65.310 63.200 -0.059 0.000 1.094 312 S HN 1.068 nan 8.310 nan 0.000 0.474 313 E N 1.391 121.611 120.200 0.034 0.000 2.256 313 E HA 0.631 4.970 4.350 -0.017 0.000 0.268 313 E C -1.524 175.113 176.600 0.061 0.000 0.877 313 E CA -0.632 55.813 56.400 0.074 0.000 0.757 313 E CB 2.003 31.780 29.700 0.129 0.000 1.183 313 E HN 0.695 nan 8.360 nan 0.000 0.418 314 S N 3.694 119.427 115.700 0.055 0.000 2.500 314 S HA 0.549 5.008 4.470 -0.017 0.000 0.301 314 S C -0.775 173.859 174.600 0.056 0.000 1.092 314 S CA -1.008 57.208 58.200 0.026 0.000 1.030 314 S CB 1.175 64.354 63.200 -0.034 0.000 1.031 314 S HN 0.467 nan 8.310 nan 0.000 0.483 315 N N 1.395 120.144 118.700 0.080 0.000 2.258 315 N HA 0.605 5.335 4.740 -0.017 0.000 0.299 315 N C -1.396 174.092 175.510 -0.037 0.000 1.047 315 N CA -0.426 52.689 53.050 0.108 0.000 0.814 315 N CB 2.337 41.001 38.487 0.296 0.000 1.413 315 N HN 0.493 nan 8.380 nan 0.000 0.478 316 T N 0.412 114.822 114.554 -0.240 0.000 3.032 316 T HA 0.359 4.699 4.350 -0.017 0.000 0.312 316 T C -0.562 174.026 174.700 -0.187 0.000 1.078 316 T CA -0.470 61.422 62.100 -0.347 0.000 1.028 316 T CB 1.834 70.188 68.868 -0.856 0.000 1.091 316 T HN 0.072 nan 8.240 nan 0.000 0.457 317 V N 3.500 123.433 119.914 0.032 0.000 2.495 317 V HA 0.737 4.846 4.120 -0.017 0.000 0.298 317 V C -0.719 175.463 176.094 0.147 0.000 1.031 317 V CA -0.849 61.539 62.300 0.146 0.000 0.871 317 V CB 1.755 33.691 31.823 0.188 0.000 0.988 317 V HN 1.079 nan 8.190 nan 0.000 0.432 318 D N 2.229 122.753 120.400 0.206 0.000 2.645 318 D HA 0.803 5.433 4.640 -0.017 0.000 0.228 318 D C -0.320 176.111 176.300 0.218 0.000 1.148 318 D CA -0.507 53.627 54.000 0.223 0.000 0.860 318 D CB 2.303 43.264 40.800 0.270 0.000 1.548 318 D HN 0.823 nan 8.370 nan 0.000 0.460 319 G N -0.364 108.556 108.800 0.200 0.000 2.733 319 G HA2 0.632 4.582 3.960 -0.017 0.000 0.297 319 G HA3 0.632 4.582 3.960 -0.017 0.000 0.297 319 G C -1.562 173.427 174.900 0.148 0.000 1.422 319 G CA -1.186 44.019 45.100 0.176 0.000 0.942 319 G HN 0.739 nan 8.290 nan 0.000 0.510 320 K N -0.385 120.110 120.400 0.159 0.000 2.536 320 K HA 0.698 5.008 4.320 -0.017 0.000 0.269 320 K C -2.326 174.394 176.600 0.200 0.000 0.965 320 K CA -1.173 55.187 56.287 0.123 0.000 0.860 320 K CB 2.694 35.308 32.500 0.191 0.000 1.423 320 K HN 0.504 nan 8.250 nan 0.000 0.438 321 Y N 0.515 120.825 120.300 0.017 0.000 2.421 321 Y HA 0.378 4.917 4.550 -0.018 0.000 0.339 321 Y C -1.578 174.357 175.900 0.059 0.000 0.996 321 Y CA -0.222 57.907 58.100 0.048 0.000 1.046 321 Y CB 2.712 41.177 38.460 0.008 0.000 1.226 321 Y HN 0.726 nan 8.280 nan 0.000 0.445 322 T N 7.633 121.936 114.554 -0.419 0.000 2.809 322 T HA 0.552 4.892 4.350 -0.017 0.000 0.284 322 T C -1.383 173.135 174.700 -0.304 0.000 0.992 322 T CA -0.584 61.397 62.100 -0.198 0.000 0.957 322 T CB 0.472 69.303 68.868 -0.062 0.000 0.942 322 T HN 0.489 nan 8.240 nan 0.000 0.439 323 L N 2.538 123.709 121.223 -0.087 0.000 2.305 323 L HA 0.663 4.993 4.340 -0.017 0.000 0.284 323 L C -2.926 173.961 176.870 0.028 0.000 1.013 323 L CA -2.611 52.217 54.840 -0.020 0.000 0.819 323 L CB 0.262 42.364 42.059 0.070 0.000 1.227 323 L HN 0.195 nan 8.230 nan 0.000 0.417 324 P HA 0.263 nan 4.420 nan 0.000 0.271 324 P C -0.684 176.506 177.300 -0.182 0.000 1.226 324 P CA 0.250 63.213 63.100 -0.229 0.000 0.765 324 P CB 0.626 32.242 31.700 -0.141 0.000 0.835 325 L N 2.999 124.064 121.223 -0.264 0.000 2.599 325 L HA 0.197 4.527 4.340 -0.017 0.000 0.241 325 L C 1.713 178.472 176.870 -0.185 0.000 1.207 325 L CA -0.255 54.490 54.840 -0.158 0.000 0.987 325 L CB 0.085 42.073 42.059 -0.118 0.000 1.318 325 L HN 0.372 nan 8.230 nan 0.000 0.458 326 T N -2.349 112.099 114.554 -0.177 0.000 2.759 326 T HA -0.243 4.097 4.350 -0.017 0.000 0.269 326 T C 1.965 176.622 174.700 -0.072 0.000 1.042 326 T CA 1.284 63.296 62.100 -0.148 0.000 1.140 326 T CB 0.032 68.838 68.868 -0.102 0.000 0.864 326 T HN 0.463 nan 8.240 nan 0.000 0.455 327 A N 2.280 125.070 122.820 -0.050 0.000 1.978 327 A HA 0.100 4.410 4.320 -0.017 0.000 0.220 327 A C 2.244 179.815 177.584 -0.021 0.000 1.170 327 A CA 1.544 53.566 52.037 -0.025 0.000 0.636 327 A CB -0.887 18.100 19.000 -0.021 0.000 0.810 327 A HN 0.943 nan 8.150 nan 0.000 0.448 328 I N -5.186 115.356 120.570 -0.046 0.000 3.889 328 I HA 0.311 4.471 4.170 -0.017 0.000 0.332 328 I C -0.073 176.043 176.117 -0.002 0.000 1.493 328 I CA -0.040 61.232 61.300 -0.047 0.000 1.158 328 I CB -0.876 37.054 38.000 -0.116 0.000 1.117 328 I HN 0.292 nan 8.210 nan 0.000 0.411 329 N N 1.265 119.977 118.700 0.020 0.000 2.725 329 N HA -0.223 4.506 4.740 -0.017 0.000 0.249 329 N C -0.446 175.128 175.510 0.108 0.000 1.103 329 N CA 0.683 53.785 53.050 0.087 0.000 0.707 329 N CB -0.952 37.664 38.487 0.215 0.000 1.043 329 N HN 0.709 nan 8.380 nan 0.000 0.553 330 Q N -0.543 119.221 119.800 -0.061 0.000 2.423 330 Q HA 0.649 4.979 4.340 -0.017 0.000 0.278 330 Q C -1.223 174.628 176.000 -0.249 0.000 1.097 330 Q CA -0.644 55.136 55.803 -0.039 0.000 0.809 330 Q CB 1.615 30.324 28.738 -0.049 0.000 1.391 330 Q HN 0.124 nan 8.270 nan 0.000 0.428 331 F N 1.429 121.413 119.950 0.056 0.000 2.482 331 F HA 0.525 5.041 4.527 -0.018 0.000 0.331 331 F C -0.713 175.109 175.800 0.036 0.000 1.115 331 F CA -0.896 57.125 58.000 0.034 0.000 0.955 331 F CB 1.355 40.374 39.000 0.031 0.000 1.136 331 F HN 0.256 nan 8.300 nan 0.000 0.452 332 L N 3.237 124.570 121.223 0.184 0.000 2.372 332 L HA 0.630 4.960 4.340 -0.017 0.000 0.274 332 L C -0.734 176.207 176.870 0.119 0.000 0.988 332 L CA -0.029 54.887 54.840 0.127 0.000 0.833 332 L CB 1.623 43.723 42.059 0.068 0.000 1.236 332 L HN 0.534 nan 8.230 nan 0.000 0.410 333 T N 4.449 119.078 114.554 0.125 0.000 2.779 333 T HA 0.691 5.031 4.350 -0.017 0.000 0.280 333 T C -0.459 174.267 174.700 0.043 0.000 0.987 333 T CA -0.419 61.744 62.100 0.105 0.000 0.966 333 T CB 1.556 70.523 68.868 0.166 0.000 0.933 333 T HN 0.330 nan 8.240 nan 0.000 0.442 334 V N 2.011 121.910 119.914 -0.025 0.000 2.769 334 V HA 0.994 5.104 4.120 -0.017 0.000 0.312 334 V C 0.588 176.433 176.094 -0.416 0.000 1.058 334 V CA -0.441 61.740 62.300 -0.198 0.000 0.952 334 V CB 1.899 33.673 31.823 -0.082 0.000 1.019 334 V HN 1.135 nan 8.190 nan 0.000 0.445 335 G N 0.659 108.960 108.800 -0.832 0.000 2.559 335 G HA2 0.742 4.692 3.960 -0.017 0.000 0.291 335 G HA3 0.742 4.692 3.960 -0.017 0.000 0.291 335 G C -0.826 173.697 174.900 -0.629 0.000 1.424 335 G CA 0.038 44.604 45.100 -0.890 0.000 0.786 335 G HN 1.170 nan 8.290 nan 0.000 0.485 336 G N -1.292 107.429 108.800 -0.132 0.000 2.660 336 G HA2 0.697 4.647 3.960 -0.017 0.000 0.290 336 G HA3 0.697 4.647 3.960 -0.017 0.000 0.290 336 G C -1.782 173.240 174.900 0.204 0.000 1.432 336 G CA -0.215 44.936 45.100 0.085 0.000 0.807 336 G HN 0.722 nan 8.290 nan 0.000 0.485 337 E N -0.694 119.633 120.200 0.210 0.000 2.390 337 E HA 0.666 5.006 4.350 -0.017 0.000 0.277 337 E C -1.266 175.444 176.600 0.184 0.000 0.939 337 E CA -0.769 55.747 56.400 0.194 0.000 0.769 337 E CB 2.100 31.919 29.700 0.199 0.000 1.251 337 E HN 0.443 nan 8.360 nan 0.000 0.450 338 M N 2.650 122.338 119.600 0.146 0.000 2.393 338 M HA 0.546 5.015 4.480 -0.017 0.000 0.299 338 M C -0.770 175.588 176.300 0.097 0.000 1.103 338 M CA -0.581 54.803 55.300 0.141 0.000 0.910 338 M CB 2.569 35.238 32.600 0.115 0.000 1.659 338 M HN 0.340 nan 8.290 nan 0.000 0.445 339 R N 0.438 120.994 120.500 0.094 0.000 2.725 339 R HA 0.605 4.935 4.340 -0.017 0.000 0.277 339 R C -1.589 174.775 176.300 0.107 0.000 0.987 339 R CA -0.986 55.153 56.100 0.065 0.000 0.901 339 R CB 2.662 32.981 30.300 0.032 0.000 1.207 339 R HN 0.674 nan 8.270 nan 0.000 0.463 340 H N 0.576 119.648 119.070 0.004 0.000 2.759 340 H HA 0.398 4.944 4.556 -0.017 0.000 0.354 340 H C -1.650 173.685 175.328 0.012 0.000 1.074 340 H CA -0.530 55.522 56.048 0.006 0.000 1.226 340 H CB 1.469 31.245 29.762 0.023 0.000 1.648 340 H HN 0.430 nan 8.280 nan 0.000 0.529 341 D N 2.541 122.697 120.400 -0.407 0.000 2.780 341 D HA 0.297 4.927 4.640 -0.017 0.000 0.242 341 D C -0.966 175.147 176.300 -0.311 0.000 1.135 341 D CA -0.723 53.140 54.000 -0.230 0.000 0.859 341 D CB 2.038 42.768 40.800 -0.116 0.000 1.530 341 D HN 0.536 nan 8.370 nan 0.000 0.493 342 K N 1.091 121.423 120.400 -0.114 0.000 2.435 342 K HA 0.799 5.109 4.320 -0.017 0.000 0.251 342 K C -1.518 175.085 176.600 0.005 0.000 0.954 342 K CA -0.825 55.438 56.287 -0.040 0.000 0.820 342 K CB 1.919 34.459 32.500 0.067 0.000 1.292 342 K HN 0.485 nan 8.250 nan 0.000 0.436 343 M N -0.378 119.238 119.600 0.027 0.000 2.578 343 M HA 0.516 4.986 4.480 -0.017 0.000 0.276 343 M C -1.759 174.587 176.300 0.077 0.000 1.245 343 M CA -0.231 55.097 55.300 0.048 0.000 0.871 343 M CB 2.336 34.959 32.600 0.039 0.000 1.722 343 M HN 0.328 nan 8.290 nan 0.000 0.473 344 S N 0.785 116.541 115.700 0.092 0.000 2.538 344 S HA 0.705 5.164 4.470 -0.017 0.000 0.288 344 S C -1.657 173.027 174.600 0.140 0.000 1.108 344 S CA -0.459 57.805 58.200 0.108 0.000 0.971 344 S CB 1.510 64.763 63.200 0.087 0.000 1.041 344 S HN 0.811 nan 8.310 nan 0.000 0.483 345 D N 1.371 121.871 120.400 0.167 0.000 2.823 345 D HA 0.426 5.056 4.640 -0.017 0.000 0.255 345 D C 0.730 177.110 176.300 0.133 0.000 1.257 345 D CA -0.366 53.750 54.000 0.193 0.000 0.803 345 D CB 0.292 41.290 40.800 0.331 0.000 1.384 345 D HN 0.456 nan 8.370 nan 0.000 0.541 346 A N 0.666 123.539 122.820 0.088 0.000 1.917 346 A HA -0.161 4.149 4.320 -0.017 0.000 0.219 346 A C 2.234 179.827 177.584 0.015 0.000 1.182 346 A CA 2.176 54.244 52.037 0.052 0.000 0.633 346 A CB -0.746 18.280 19.000 0.044 0.000 0.819 346 A HN 0.751 nan 8.150 nan 0.000 0.448 347 V N -2.199 117.719 119.914 0.007 0.000 2.720 347 V HA -0.154 3.956 4.120 -0.017 0.000 0.256 347 V C 1.301 177.334 176.094 -0.102 0.000 1.082 347 V CA 2.289 64.570 62.300 -0.033 0.000 1.101 347 V CB -0.818 30.992 31.823 -0.021 0.000 0.693 347 V HN 0.521 nan 8.190 nan 0.000 0.479 348 N N -0.038 118.578 118.700 -0.141 0.000 2.236 348 N HA 0.260 4.990 4.740 -0.017 0.000 0.196 348 N C -0.014 175.298 175.510 -0.328 0.000 1.114 348 N CA 0.024 52.845 53.050 -0.382 0.000 0.859 348 N CB 0.682 38.756 38.487 -0.689 0.000 0.982 348 N HN 0.337 nan 8.380 nan 0.000 0.493 349 L N 0.723 121.884 121.223 -0.103 0.000 2.309 349 L HA 0.296 4.625 4.340 -0.017 0.000 0.282 349 L C 1.754 178.606 176.870 -0.029 0.000 1.036 349 L CA 0.136 54.964 54.840 -0.020 0.000 0.806 349 L CB 1.165 43.263 42.059 0.064 0.000 1.220 349 L HN -0.084 nan 8.230 nan 0.000 0.429 350 T N 2.524 117.067 114.554 -0.018 0.000 2.652 350 T HA -0.144 4.195 4.350 -0.017 0.000 0.267 350 T C 1.507 176.205 174.700 -0.003 0.000 1.039 350 T CA 1.902 63.992 62.100 -0.017 0.000 1.153 350 T CB -0.107 68.757 68.868 -0.008 0.000 0.863 350 T HN 0.871 nan 8.240 nan 0.000 0.428 351 G N -0.221 108.587 108.800 0.013 0.000 2.598 351 G HA2 0.324 4.274 3.960 -0.017 0.000 0.215 351 G HA3 0.324 4.274 3.960 -0.017 0.000 0.215 351 G C 1.117 176.028 174.900 0.018 0.000 1.131 351 G CA 0.708 45.818 45.100 0.017 0.000 0.785 351 G HN 0.835 nan 8.290 nan 0.000 0.539 352 G N -0.270 108.541 108.800 0.018 0.000 2.687 352 G HA2 -0.413 3.537 3.960 -0.017 0.000 0.303 352 G HA3 -0.413 3.537 3.960 -0.017 0.000 0.303 352 G C 1.366 176.286 174.900 0.034 0.000 1.209 352 G CA 1.261 46.373 45.100 0.020 0.000 0.968 352 G HN 0.603 nan 8.290 nan 0.000 0.549 353 T N -0.276 114.297 114.554 0.031 0.000 2.942 353 T HA 0.279 4.619 4.350 -0.017 0.000 0.265 353 T C 1.805 176.530 174.700 0.042 0.000 1.062 353 T CA 2.879 65.001 62.100 0.036 0.000 1.139 353 T CB -0.411 68.475 68.868 0.030 0.000 0.883 353 T HN 2.149 nan 8.240 nan 0.000 0.468 354 S N -1.729 113.996 115.700 0.041 0.000 1.208 354 S HA -0.179 4.281 4.470 -0.017 0.000 0.253 354 S C 1.414 176.038 174.600 0.040 0.000 0.564 354 S CA 1.514 59.735 58.200 0.036 0.000 0.961 354 S CB -1.975 61.242 63.200 0.028 0.000 0.864 354 S HN 0.444 nan 8.310 nan 0.000 0.489 355 S N 1.512 117.240 115.700 0.047 0.000 2.297 355 S HA 0.305 4.765 4.470 -0.017 0.000 0.200 355 S C 0.257 174.896 174.600 0.064 0.000 1.011 355 S CA 1.762 59.995 58.200 0.054 0.000 0.938 355 S CB -0.363 62.872 63.200 0.058 0.000 0.924 355 S HN 1.092 nan 8.310 nan 0.000 0.504 356 K N 1.644 122.089 120.400 0.076 0.000 6.999 356 K HA -0.168 4.141 4.320 -0.017 0.000 0.712 356 K C -1.233 175.413 176.600 0.077 0.000 2.465 356 K CA 0.814 57.149 56.287 0.081 0.000 1.780 356 K CB -1.358 31.186 32.500 0.074 0.000 1.897 356 K HN 0.437 nan 8.250 nan 0.000 0.299 357 T N 2.661 117.262 114.554 0.077 0.000 2.855 357 T HA 0.635 4.975 4.350 -0.017 0.000 0.281 357 T C -0.771 173.945 174.700 0.027 0.000 1.007 357 T CA 0.279 62.416 62.100 0.062 0.000 1.009 357 T CB 0.819 69.733 68.868 0.078 0.000 0.983 357 T HN 0.772 nan 8.240 nan 0.000 0.455 358 S N 2.138 117.843 115.700 0.008 0.000 2.607 358 S HA 0.928 5.388 4.470 -0.017 0.000 0.273 358 S C -1.260 173.281 174.600 -0.099 0.000 1.148 358 S CA -0.726 57.430 58.200 -0.073 0.000 0.833 358 S CB 1.733 64.910 63.200 -0.040 0.000 1.130 358 S HN 1.147 nan 8.310 nan 0.000 0.470 359 A N 0.968 123.642 122.820 -0.243 0.000 2.574 359 A HA 0.849 5.159 4.320 -0.017 0.000 0.297 359 A C -0.593 176.811 177.584 -0.299 0.000 1.062 359 A CA -0.683 51.218 52.037 -0.227 0.000 0.686 359 A CB 1.552 20.467 19.000 -0.141 0.000 1.285 359 A HN 0.911 nan 8.150 nan 0.000 0.403 360 S N 0.186 115.751 115.700 -0.226 0.000 2.648 360 S HA 0.854 5.313 4.470 -0.017 0.000 0.305 360 S C -0.650 173.794 174.600 -0.260 0.000 1.094 360 S CA -0.512 57.623 58.200 -0.108 0.000 0.983 360 S CB 1.621 64.861 63.200 0.066 0.000 1.101 360 S HN 0.883 nan 8.310 nan 0.000 0.514 361 Q N 0.227 119.973 119.800 -0.090 0.000 2.687 361 Q HA 0.639 4.969 4.340 -0.017 0.000 0.295 361 Q C -1.936 174.134 176.000 0.116 0.000 0.920 361 Q CA -1.122 54.637 55.803 -0.073 0.000 0.766 361 Q CB 1.323 29.989 28.738 -0.119 0.000 1.467 361 Q HN 0.775 nan 8.270 nan 0.000 0.415 362 Y N -1.875 118.409 120.300 -0.026 0.000 2.638 362 Y HA 0.950 5.490 4.550 -0.017 0.000 0.335 362 Y C -1.879 174.029 175.900 0.013 0.000 1.155 362 Y CA -0.791 57.312 58.100 0.005 0.000 1.046 362 Y CB 1.407 39.864 38.460 -0.005 0.000 1.303 362 Y HN 1.012 nan 8.280 nan 0.000 0.460 363 A N 1.835 124.711 122.820 0.094 0.000 2.556 363 A HA 0.841 5.150 4.320 -0.017 0.000 0.294 363 A C -2.483 175.194 177.584 0.155 0.000 1.091 363 A CA -0.770 51.279 52.037 0.020 0.000 0.704 363 A CB 1.940 20.995 19.000 0.092 0.000 1.300 363 A HN 0.627 nan 8.150 nan 0.000 0.406 364 L N 1.400 122.676 121.223 0.089 0.000 2.431 364 L HA 0.831 5.161 4.340 -0.017 0.000 0.266 364 L C -0.937 176.017 176.870 0.140 0.000 0.978 364 L CA -0.470 54.418 54.840 0.080 0.000 0.822 364 L CB 1.361 43.453 42.059 0.054 0.000 1.310 364 L HN 0.781 nan 8.230 nan 0.000 0.409 365 F N 2.520 122.491 119.950 0.036 0.000 2.626 365 F HA 0.930 5.446 4.527 -0.019 0.000 0.311 365 F C -0.934 174.903 175.800 0.061 0.000 1.088 365 F CA -1.375 56.650 58.000 0.042 0.000 0.949 365 F CB 1.587 40.599 39.000 0.020 0.000 1.322 365 F HN 0.228 nan 8.300 nan 0.000 0.461 366 V N -0.547 119.547 119.914 0.300 0.000 2.709 366 V HA 0.770 4.880 4.120 -0.017 0.000 0.308 366 V C -1.283 174.989 176.094 0.296 0.000 1.062 366 V CA -0.609 61.815 62.300 0.207 0.000 0.901 366 V CB 1.534 33.436 31.823 0.132 0.000 1.003 366 V HN 1.121 nan 8.190 nan 0.000 0.425 367 E N 1.777 122.131 120.200 0.257 0.000 2.292 367 E HA 0.554 4.894 4.350 -0.017 0.000 0.272 367 E C -2.002 174.699 176.600 0.168 0.000 0.881 367 E CA -0.485 56.038 56.400 0.206 0.000 0.754 367 E CB 2.669 32.484 29.700 0.191 0.000 1.201 367 E HN 1.022 nan 8.360 nan 0.000 0.425 368 D N 2.385 122.882 120.400 0.162 0.000 2.505 368 D HA 0.161 4.791 4.640 -0.017 0.000 0.249 368 D C -1.338 175.081 176.300 0.199 0.000 1.082 368 D CA -0.424 53.675 54.000 0.167 0.000 0.839 368 D CB 1.366 42.248 40.800 0.137 0.000 1.317 368 D HN 0.261 nan 8.370 nan 0.000 0.497 369 E N 3.948 124.292 120.200 0.240 0.000 2.129 369 E HA 0.247 4.587 4.350 -0.017 0.000 0.268 369 E C -1.523 175.281 176.600 0.341 0.000 0.900 369 E CA -0.885 55.677 56.400 0.269 0.000 0.755 369 E CB 0.758 30.610 29.700 0.255 0.000 1.117 369 E HN 0.444 nan 8.360 nan 0.000 0.410 370 W N 6.243 127.593 121.300 0.083 0.000 2.318 370 W HA 0.313 4.957 4.660 -0.027 0.000 0.315 370 W C -0.745 175.783 176.519 0.016 0.000 1.033 370 W CA -1.570 55.794 57.345 0.031 0.000 1.275 370 W CB 0.697 30.153 29.460 -0.006 0.000 1.250 370 W HN 0.480 nan 8.180 nan 0.000 0.421 371 R N 6.763 127.375 120.500 0.187 0.000 2.429 371 R HA 0.168 4.498 4.340 -0.017 0.000 0.302 371 R C 1.131 177.239 176.300 -0.321 0.000 1.268 371 R CA 0.047 56.127 56.100 -0.033 0.000 1.090 371 R CB -0.191 30.155 30.300 0.077 0.000 1.102 371 R HN 0.725 nan 8.270 nan 0.000 0.522 372 I N 3.262 123.319 120.570 -0.854 0.000 2.113 372 I HA -0.185 3.974 4.170 -0.017 0.000 0.238 372 I C 0.283 175.776 176.117 -1.040 0.000 1.070 372 I CA 1.364 61.784 61.300 -1.467 0.000 1.332 372 I CB -0.125 36.777 38.000 -1.831 0.000 1.044 372 I HN 0.357 nan 8.210 nan 0.000 0.402 373 F N -0.572 119.257 119.950 -0.201 0.000 2.598 373 F HA 0.311 4.827 4.527 -0.019 0.000 0.327 373 F C 1.425 177.210 175.800 -0.025 0.000 1.057 373 F CA -0.929 57.027 58.000 -0.073 0.000 0.957 373 F CB 0.633 39.601 39.000 -0.054 0.000 1.278 373 F HN -0.201 nan 8.300 nan 0.000 0.484 374 E N 0.735 121.055 120.200 0.201 0.000 2.086 374 E HA -0.188 4.152 4.350 -0.017 0.000 0.200 374 E C -0.972 175.701 176.600 0.122 0.000 1.012 374 E CA 1.645 58.120 56.400 0.124 0.000 0.812 374 E CB -1.037 28.721 29.700 0.097 0.000 0.743 374 E HN 0.372 nan 8.360 nan 0.000 0.453 375 P HA 0.090 nan 4.420 nan 0.000 0.257 375 P C -0.435 177.022 177.300 0.261 0.000 1.281 375 P CA 0.234 63.432 63.100 0.165 0.000 0.826 375 P CB 0.194 31.991 31.700 0.162 0.000 1.237 376 L N 0.360 121.719 121.223 0.226 0.000 2.404 376 L HA 0.722 5.051 4.340 -0.017 0.000 0.272 376 L C -1.083 175.791 176.870 0.007 0.000 0.980 376 L CA -0.879 54.065 54.840 0.172 0.000 0.836 376 L CB 1.697 43.870 42.059 0.189 0.000 1.238 376 L HN -0.160 nan 8.230 nan 0.000 0.408 377 A N 4.892 127.738 122.820 0.044 0.000 2.304 377 A HA 0.697 5.006 4.320 -0.017 0.000 0.314 377 A C -1.464 176.153 177.584 0.054 0.000 1.187 377 A CA -0.489 51.566 52.037 0.031 0.000 0.810 377 A CB 1.057 20.105 19.000 0.082 0.000 1.183 377 A HN 0.652 nan 8.150 nan 0.000 0.487 378 L N 2.777 124.017 121.223 0.029 0.000 2.272 378 L HA 0.642 4.971 4.340 -0.017 0.000 0.289 378 L C -0.187 176.791 176.870 0.179 0.000 1.032 378 L CA 0.485 55.382 54.840 0.094 0.000 0.810 378 L CB 1.502 43.588 42.059 0.044 0.000 1.205 378 L HN 0.571 nan 8.230 nan 0.000 0.422 379 T N 3.711 118.389 114.554 0.207 0.000 2.758 379 T HA 0.633 4.972 4.350 -0.017 0.000 0.285 379 T C -0.208 174.621 174.700 0.215 0.000 0.981 379 T CA -0.409 61.811 62.100 0.199 0.000 0.965 379 T CB 0.895 69.854 68.868 0.151 0.000 0.927 379 T HN 0.781 nan 8.240 nan 0.000 0.448 380 T N 0.274 114.948 114.554 0.200 0.000 2.908 380 T HA 0.916 5.256 4.350 -0.017 0.000 0.290 380 T C -0.108 174.701 174.700 0.181 0.000 1.034 380 T CA -0.987 61.234 62.100 0.201 0.000 1.010 380 T CB 2.237 71.223 68.868 0.197 0.000 1.068 380 T HN 0.839 nan 8.240 nan 0.000 0.481 381 G N -0.571 108.342 108.800 0.189 0.000 2.547 381 G HA2 0.573 4.523 3.960 -0.017 0.000 0.291 381 G HA3 0.573 4.523 3.960 -0.017 0.000 0.291 381 G C -2.041 172.983 174.900 0.207 0.000 1.471 381 G CA -0.418 44.794 45.100 0.187 0.000 0.798 381 G HN 1.235 nan 8.290 nan 0.000 0.504 382 V N 0.120 120.174 119.914 0.234 0.000 2.851 382 V HA 0.860 4.970 4.120 -0.017 0.000 0.307 382 V C -0.778 175.479 176.094 0.272 0.000 1.129 382 V CA -0.949 61.514 62.300 0.271 0.000 0.932 382 V CB 1.926 33.957 31.823 0.347 0.000 1.024 382 V HN 1.039 nan 8.190 nan 0.000 0.426 383 R N 6.355 126.986 120.500 0.218 0.000 2.494 383 R HA 0.631 4.960 4.340 -0.017 0.000 0.305 383 R C -0.892 175.393 176.300 -0.025 0.000 0.959 383 R CA -0.714 55.480 56.100 0.157 0.000 0.864 383 R CB 1.627 32.003 30.300 0.126 0.000 1.159 383 R HN 0.719 nan 8.270 nan 0.000 0.446 384 M N 4.112 123.566 119.600 -0.244 0.000 2.101 384 M HA 0.287 4.757 4.480 -0.017 0.000 0.340 384 M C -1.551 174.498 176.300 -0.418 0.000 1.057 384 M CA -0.272 54.610 55.300 -0.698 0.000 0.984 384 M CB 1.043 32.941 32.600 -1.171 0.000 1.560 384 M HN 0.676 nan 8.290 nan 0.000 0.435 385 D N 3.118 123.301 120.400 -0.362 0.000 2.193 385 D HA 0.344 4.973 4.640 -0.017 0.000 0.244 385 D C -1.133 174.945 176.300 -0.369 0.000 1.064 385 D CA 0.049 53.898 54.000 -0.252 0.000 0.845 385 D CB 1.377 42.190 40.800 0.022 0.000 1.148 385 D HN 0.413 nan 8.370 nan 0.000 0.464 386 D N 0.989 121.078 120.400 -0.519 0.000 2.505 386 D HA 0.095 4.725 4.640 -0.017 0.000 0.250 386 D C -1.366 174.730 176.300 -0.340 0.000 1.164 386 D CA -0.530 53.187 54.000 -0.472 0.000 0.870 386 D CB 0.511 40.906 40.800 -0.675 0.000 1.160 386 D HN 0.326 nan 8.370 nan 0.000 0.549 387 H N 2.610 121.434 119.070 -0.410 0.000 2.458 387 H HA 0.159 4.704 4.556 -0.017 0.000 0.330 387 H C 1.044 176.177 175.328 -0.325 0.000 1.111 387 H CA -0.128 55.624 56.048 -0.493 0.000 1.245 387 H CB 1.613 30.656 29.762 -1.199 0.000 1.456 387 H HN 0.616 nan 8.280 nan 0.000 0.488 388 E N 1.946 121.890 120.200 -0.426 0.000 2.153 388 E HA -0.133 4.207 4.350 -0.017 0.000 0.194 388 E C 0.530 177.121 176.600 -0.014 0.000 0.988 388 E CA 1.698 57.995 56.400 -0.172 0.000 0.811 388 E CB 0.140 29.738 29.700 -0.170 0.000 0.746 388 E HN 0.529 nan 8.360 nan 0.000 0.466 389 T N 0.231 114.886 114.554 0.169 0.000 2.837 389 T HA -0.080 4.259 4.350 -0.017 0.000 0.248 389 T C 1.354 176.171 174.700 0.194 0.000 1.033 389 T CA 1.131 63.363 62.100 0.220 0.000 1.150 389 T CB -0.402 68.635 68.868 0.280 0.000 0.865 389 T HN 0.497 nan 8.240 nan 0.000 0.425 390 Y N 1.308 121.725 120.300 0.196 0.000 2.466 390 Y HA 0.563 5.102 4.550 -0.018 0.000 0.272 390 Y C 0.956 176.886 175.900 0.050 0.000 1.169 390 Y CA -0.663 57.454 58.100 0.028 0.000 1.285 390 Y CB -0.644 37.747 38.460 -0.115 0.000 1.078 390 Y HN 0.382 nan 8.280 nan 0.000 0.523 391 G N 1.235 110.053 108.800 0.030 0.000 2.587 391 G HA2 -0.199 3.751 3.960 -0.017 0.000 0.212 391 G HA3 -0.199 3.751 3.960 -0.017 0.000 0.212 391 G C -0.908 173.992 174.900 0.001 0.000 1.327 391 G CA -0.442 44.685 45.100 0.045 0.000 0.898 391 G HN 0.783 nan 8.290 nan 0.000 0.551 392 E N -0.773 119.433 120.200 0.010 0.000 2.319 392 E HA 0.710 5.049 4.350 -0.017 0.000 0.268 392 E C -0.209 176.387 176.600 -0.006 0.000 1.050 392 E CA -0.625 55.733 56.400 -0.070 0.000 0.878 392 E CB 1.650 31.303 29.700 -0.078 0.000 1.066 392 E HN 0.911 nan 8.360 nan 0.000 0.406 393 H N 0.585 119.475 119.070 -0.299 0.000 2.996 393 H HA 0.432 4.979 4.556 -0.014 0.000 0.368 393 H C -2.047 173.031 175.328 -0.416 0.000 1.185 393 H CA -0.844 55.019 56.048 -0.309 0.000 1.160 393 H CB 1.109 30.500 29.762 -0.617 0.000 1.820 393 H HN 0.571 nan 8.280 nan 0.000 0.547 394 W N 2.583 123.607 121.300 -0.459 0.000 2.656 394 W HA 0.570 5.227 4.660 -0.004 0.000 0.327 394 W C -0.718 175.738 176.519 -0.106 0.000 1.041 394 W CA -0.621 56.616 57.345 -0.180 0.000 1.229 394 W CB 2.239 31.623 29.460 -0.126 0.000 1.397 394 W HN 0.435 nan 8.180 nan 0.000 0.479 395 S N 4.767 120.614 115.700 0.245 0.000 2.542 395 S HA 0.395 4.855 4.470 -0.017 0.000 0.245 395 S C -2.537 172.181 174.600 0.196 0.000 1.325 395 S CA -1.119 57.215 58.200 0.222 0.000 1.176 395 S CB 0.818 64.182 63.200 0.274 0.000 1.045 395 S HN 0.127 nan 8.310 nan 0.000 0.481 396 P HA 0.618 nan 4.420 nan 0.000 0.285 396 P C -0.756 176.619 177.300 0.125 0.000 1.269 396 P CA -0.827 62.405 63.100 0.220 0.000 0.844 396 P CB 1.088 32.996 31.700 0.347 0.000 1.094 397 R N 0.145 120.772 120.500 0.212 0.000 2.734 397 R HA 0.889 5.219 4.340 -0.017 0.000 0.271 397 R C -2.075 174.433 176.300 0.347 0.000 1.021 397 R CA -1.109 55.130 56.100 0.231 0.000 0.893 397 R CB 1.148 31.523 30.300 0.125 0.000 1.244 397 R HN 0.422 nan 8.270 nan 0.000 0.464 398 A N 1.599 124.671 122.820 0.419 0.000 2.437 398 A HA 0.643 4.953 4.320 -0.017 0.000 0.293 398 A C -2.141 175.656 177.584 0.355 0.000 1.038 398 A CA -0.570 51.678 52.037 0.352 0.000 0.708 398 A CB 1.418 20.607 19.000 0.314 0.000 1.251 398 A HN 0.669 nan 8.150 nan 0.000 0.409 399 Y N 1.558 121.954 120.300 0.161 0.000 2.470 399 Y HA 0.656 5.195 4.550 -0.017 0.000 0.341 399 Y C -1.247 174.714 175.900 0.102 0.000 1.021 399 Y CA -0.621 57.559 58.100 0.134 0.000 1.025 399 Y CB 1.883 40.408 38.460 0.107 0.000 1.266 399 Y HN 0.665 nan 8.280 nan 0.000 0.448 400 L N 6.097 127.330 121.223 0.016 0.000 2.341 400 L HA 0.731 5.061 4.340 -0.017 0.000 0.278 400 L C -1.232 175.722 176.870 0.140 0.000 1.005 400 L CA -1.156 53.728 54.840 0.073 0.000 0.818 400 L CB 1.851 43.904 42.059 -0.009 0.000 1.259 400 L HN 0.335 nan 8.230 nan 0.000 0.418 401 V N 2.957 122.984 119.914 0.189 0.000 2.444 401 V HA 0.360 4.470 4.120 -0.017 0.000 0.294 401 V C -1.296 174.918 176.094 0.200 0.000 1.022 401 V CA -0.697 61.711 62.300 0.180 0.000 0.850 401 V CB 1.716 33.622 31.823 0.138 0.000 0.992 401 V HN 0.491 nan 8.190 nan 0.000 0.426 402 Y N 4.217 124.543 120.300 0.044 0.000 2.326 402 Y HA 0.488 5.029 4.550 -0.014 0.000 0.329 402 Y C -0.034 175.889 175.900 0.038 0.000 0.973 402 Y CA -1.679 56.445 58.100 0.040 0.000 1.162 402 Y CB 1.598 40.082 38.460 0.039 0.000 1.147 402 Y HN 0.743 nan 8.280 nan 0.000 0.456 403 N N 5.359 123.881 118.700 -0.297 0.000 2.605 403 N HA 0.367 5.097 4.740 -0.017 0.000 0.258 403 N C 0.877 175.942 175.510 -0.743 0.000 1.156 403 N CA 0.354 53.175 53.050 -0.383 0.000 1.008 403 N CB 1.274 39.660 38.487 -0.167 0.000 1.354 403 N HN 0.778 nan 8.380 nan 0.000 0.509 404 A N 1.746 124.033 122.820 -0.887 0.000 1.908 404 A HA -0.124 4.185 4.320 -0.017 0.000 0.218 404 A C 1.436 178.851 177.584 -0.281 0.000 1.181 404 A CA 1.757 53.371 52.037 -0.704 0.000 0.627 404 A CB -0.367 18.458 19.000 -0.291 0.000 0.818 404 A HN 0.602 nan 8.150 nan 0.000 0.445 405 T N -4.199 110.244 114.554 -0.185 0.000 2.693 405 T HA 0.451 4.791 4.350 -0.017 0.000 0.278 405 T C 0.065 174.705 174.700 -0.100 0.000 0.994 405 T CA 0.147 62.190 62.100 -0.096 0.000 1.033 405 T CB 0.979 69.829 68.868 -0.031 0.000 1.342 405 T HN 0.173 nan 8.240 nan 0.000 0.538 406 D N 0.011 120.370 120.400 -0.069 0.000 2.347 406 D HA 0.030 4.660 4.640 -0.017 0.000 0.215 406 D C 1.726 177.966 176.300 -0.101 0.000 0.976 406 D CA 1.149 55.104 54.000 -0.075 0.000 0.884 406 D CB -0.372 40.394 40.800 -0.056 0.000 0.915 406 D HN 0.727 nan 8.370 nan 0.000 0.526 407 T N -2.863 111.630 114.554 -0.101 0.000 3.000 407 T HA 0.213 4.553 4.350 -0.017 0.000 0.248 407 T C 0.610 175.232 174.700 -0.131 0.000 1.034 407 T CA -0.295 61.687 62.100 -0.197 0.000 1.060 407 T CB -0.050 68.677 68.868 -0.235 0.000 0.983 407 T HN -0.039 nan 8.240 nan 0.000 0.482 408 V N 2.587 122.496 119.914 -0.008 0.000 2.370 408 V HA 0.550 4.660 4.120 -0.017 0.000 0.283 408 V C -0.381 175.708 176.094 -0.009 0.000 1.023 408 V CA -0.546 61.795 62.300 0.068 0.000 0.857 408 V CB 1.295 33.180 31.823 0.104 0.000 0.985 408 V HN 0.373 nan 8.190 nan 0.000 0.443 409 T N 4.431 119.021 114.554 0.059 0.000 2.807 409 T HA 0.600 4.940 4.350 -0.017 0.000 0.279 409 T C -0.425 174.360 174.700 0.142 0.000 0.993 409 T CA -0.412 61.705 62.100 0.028 0.000 0.970 409 T CB 1.778 70.638 68.868 -0.014 0.000 0.950 409 T HN 0.346 nan 8.240 nan 0.000 0.441 410 V N 3.983 123.976 119.914 0.131 0.000 2.417 410 V HA 0.516 4.626 4.120 -0.017 0.000 0.291 410 V C 0.028 176.245 176.094 0.204 0.000 1.024 410 V CA -0.863 61.568 62.300 0.218 0.000 0.861 410 V CB 1.425 33.407 31.823 0.265 0.000 0.985 410 V HN 0.711 nan 8.190 nan 0.000 0.436 411 K N 2.545 123.081 120.400 0.226 0.000 2.259 411 K HA 0.848 5.158 4.320 -0.017 0.000 0.249 411 K C -0.114 176.519 176.600 0.054 0.000 0.942 411 K CA -0.616 55.782 56.287 0.186 0.000 0.816 411 K CB 2.495 35.177 32.500 0.303 0.000 1.155 411 K HN 0.972 nan 8.250 nan 0.000 0.428 412 G N 0.191 108.807 108.800 -0.307 0.000 2.702 412 G HA2 0.628 4.578 3.960 -0.017 0.000 0.296 412 G HA3 0.628 4.578 3.960 -0.017 0.000 0.296 412 G C -1.194 173.187 174.900 -0.864 0.000 1.463 412 G CA -0.433 44.446 45.100 -0.368 0.000 0.890 412 G HN 0.768 nan 8.290 nan 0.000 0.534 413 G N -1.116 107.429 108.800 -0.426 0.000 2.488 413 G HA2 0.639 4.589 3.960 -0.017 0.000 0.301 413 G HA3 0.639 4.589 3.960 -0.017 0.000 0.301 413 G C -2.460 172.609 174.900 0.283 0.000 1.339 413 G CA -0.481 44.513 45.100 -0.176 0.000 0.803 413 G HN 1.465 nan 8.290 nan 0.000 0.482 414 W N 0.076 121.472 121.300 0.161 0.000 3.256 414 W HA 0.785 5.442 4.660 -0.004 0.000 0.324 414 W C -0.731 175.905 176.519 0.195 0.000 1.196 414 W CA 0.007 57.469 57.345 0.196 0.000 1.206 414 W CB 1.812 31.358 29.460 0.144 0.000 1.385 414 W HN 1.427 nan 8.180 nan 0.000 0.522 415 A N 2.420 124.692 122.820 -0.914 0.000 2.601 415 A HA 0.724 5.034 4.320 -0.017 0.000 0.291 415 A C -0.713 176.345 177.584 -0.878 0.000 1.075 415 A CA -0.281 51.239 52.037 -0.862 0.000 0.671 415 A CB 1.220 20.077 19.000 -0.238 0.000 1.277 415 A HN 0.951 nan 8.150 nan 0.000 0.417 416 T N -0.982 113.241 114.554 -0.552 0.000 2.918 416 T HA 0.915 5.255 4.350 -0.017 0.000 0.286 416 T C -0.031 174.671 174.700 0.004 0.000 1.026 416 T CA 0.093 62.072 62.100 -0.201 0.000 1.031 416 T CB 1.678 70.515 68.868 -0.053 0.000 1.046 416 T HN 2.267 nan 8.240 nan 0.000 0.479 417 A N 1.685 124.559 122.820 0.089 0.000 2.486 417 A HA 0.976 5.286 4.320 -0.017 0.000 0.289 417 A C -1.074 176.678 177.584 0.281 0.000 1.176 417 A CA -1.278 50.858 52.037 0.164 0.000 0.757 417 A CB 1.274 20.290 19.000 0.027 0.000 1.337 417 A HN 1.330 nan 8.150 nan 0.000 0.423 418 F N -1.345 118.555 119.950 -0.083 0.000 2.645 418 F HA 0.790 5.307 4.527 -0.016 0.000 0.310 418 F C -0.734 174.967 175.800 -0.165 0.000 1.102 418 F CA -0.904 56.984 58.000 -0.186 0.000 0.952 418 F CB 2.001 40.685 39.000 -0.525 0.000 1.326 418 F HN 0.554 nan 8.300 nan 0.000 0.456 419 K N 2.721 123.014 120.400 -0.178 0.000 2.572 419 K HA 0.742 5.052 4.320 -0.017 0.000 0.244 419 K C -0.628 175.804 176.600 -0.281 0.000 0.965 419 K CA -0.625 55.484 56.287 -0.297 0.000 0.943 419 K CB 1.463 33.819 32.500 -0.242 0.000 1.154 419 K HN 1.046 nan 8.250 nan 0.000 0.447 420 A N 4.906 127.533 122.820 -0.322 0.000 2.520 420 A HA 0.243 4.552 4.320 -0.017 0.000 0.235 420 A C -2.235 175.145 177.584 -0.340 0.000 1.065 420 A CA -0.764 51.049 52.037 -0.372 0.000 0.764 420 A CB -0.425 18.476 19.000 -0.165 0.000 1.002 420 A HN 0.586 nan 8.150 nan 0.000 0.502 421 P HA 0.174 nan 4.420 nan 0.000 0.271 421 P C 0.216 177.383 177.300 -0.221 0.000 1.218 421 P CA -0.101 62.822 63.100 -0.296 0.000 0.780 421 P CB 0.660 32.194 31.700 -0.276 0.000 0.901 422 S N 2.016 117.574 115.700 -0.237 0.000 2.587 422 S HA 0.072 4.531 4.470 -0.017 0.000 0.260 422 S C 1.414 175.918 174.600 -0.160 0.000 1.353 422 S CA -0.360 57.732 58.200 -0.180 0.000 0.995 422 S CB -0.221 62.876 63.200 -0.172 0.000 0.912 422 S HN 0.319 nan 8.310 nan 0.000 0.568 423 L N 0.504 121.663 121.223 -0.106 0.000 2.079 423 L HA -0.111 4.219 4.340 -0.017 0.000 0.210 423 L C 2.469 179.246 176.870 -0.155 0.000 1.081 423 L CA 1.114 55.908 54.840 -0.077 0.000 0.752 423 L CB -0.724 41.312 42.059 -0.039 0.000 0.896 423 L HN 0.731 nan 8.230 nan 0.000 0.433 424 L N -1.600 119.432 121.223 -0.318 0.000 2.109 424 L HA -0.145 4.185 4.340 -0.017 0.000 0.207 424 L C 2.115 178.650 176.870 -0.559 0.000 1.086 424 L CA 1.593 56.084 54.840 -0.581 0.000 0.760 424 L CB -1.554 39.756 42.059 -1.248 0.000 0.910 424 L HN 0.360 nan 8.230 nan 0.000 0.437 425 Q N 0.364 119.774 119.800 -0.650 0.000 2.291 425 Q HA -0.059 4.271 4.340 -0.017 0.000 0.206 425 Q C 2.276 178.129 176.000 -0.245 0.000 0.976 425 Q CA 1.326 56.663 55.803 -0.776 0.000 0.875 425 Q CB -0.110 28.021 28.738 -1.011 0.000 0.927 425 Q HN 0.552 nan 8.270 nan 0.000 0.450 426 L N -0.290 120.843 121.223 -0.150 0.000 2.529 426 L HA 0.095 4.425 4.340 -0.017 0.000 0.223 426 L C 0.935 177.840 176.870 0.057 0.000 1.113 426 L CA -0.271 54.564 54.840 -0.008 0.000 0.861 426 L CB 0.492 42.563 42.059 0.020 0.000 1.012 426 L HN -0.067 nan 8.230 nan 0.000 0.461 427 S N 0.696 116.435 115.700 0.065 0.000 2.513 427 S HA 0.247 4.707 4.470 -0.017 0.000 0.276 427 S C -1.467 173.242 174.600 0.181 0.000 1.254 427 S CA -1.501 56.776 58.200 0.129 0.000 1.053 427 S CB 0.987 64.279 63.200 0.153 0.000 0.958 427 S HN -0.046 nan 8.310 nan 0.000 0.491 428 P HA 0.051 nan 4.420 nan 0.000 0.233 428 P C 0.038 177.404 177.300 0.111 0.000 1.167 428 P CA 0.669 63.839 63.100 0.117 0.000 0.770 428 P CB 0.119 31.866 31.700 0.077 0.000 0.837 429 D N -1.955 118.523 120.400 0.130 0.000 2.350 429 D HA -0.014 4.616 4.640 -0.017 0.000 0.213 429 D C 0.124 176.505 176.300 0.134 0.000 1.031 429 D CA 0.078 54.140 54.000 0.103 0.000 0.861 429 D CB -0.168 40.686 40.800 0.089 0.000 0.926 429 D HN 0.241 nan 8.370 nan 0.000 0.520 430 W N 2.135 123.452 121.300 0.028 0.000 2.331 430 W HA 0.364 5.014 4.660 -0.016 0.000 0.306 430 W C -0.259 176.279 176.519 0.032 0.000 1.162 430 W CA 0.044 57.406 57.345 0.028 0.000 1.232 430 W CB 1.117 30.597 29.460 0.033 0.000 1.235 430 W HN -0.387 nan 8.180 nan 0.000 0.479 431 T N 4.613 118.807 114.554 -0.601 0.000 2.923 431 T HA 0.620 4.960 4.350 -0.017 0.000 0.311 431 T C -1.498 172.696 174.700 -0.845 0.000 1.183 431 T CA -0.437 61.336 62.100 -0.543 0.000 1.020 431 T CB 1.535 70.270 68.868 -0.222 0.000 1.165 431 T HN 0.304 nan 8.240 nan 0.000 0.482 432 S N 2.179 117.504 115.700 -0.625 0.000 2.537 432 S HA 0.562 5.022 4.470 -0.017 0.000 0.271 432 S C -1.162 173.316 174.600 -0.203 0.000 1.148 432 S CA -0.766 57.157 58.200 -0.462 0.000 0.868 432 S CB 1.208 64.060 63.200 -0.580 0.000 1.115 432 S HN 0.751 nan 8.310 nan 0.000 0.461 433 N N 1.385 120.006 118.700 -0.133 0.000 2.424 433 N HA 0.602 5.332 4.740 -0.017 0.000 0.257 433 N C -0.288 175.204 175.510 -0.030 0.000 1.250 433 N CA -0.096 52.916 53.050 -0.062 0.000 0.946 433 N CB 1.490 39.949 38.487 -0.047 0.000 1.175 433 N HN 0.509 nan 8.380 nan 0.000 0.477 434 S N -1.217 114.479 115.700 -0.005 0.000 2.752 434 S HA 0.340 4.800 4.470 -0.017 0.000 0.284 434 S C -0.800 173.802 174.600 0.004 0.000 1.189 434 S CA -0.365 57.835 58.200 0.001 0.000 0.835 434 S CB 0.093 63.294 63.200 0.001 0.000 1.192 434 S HN 0.688 nan 8.310 nan 0.000 0.506 435 c N 2.315 120.913 118.600 -0.004 0.000 4.365 435 c HA -0.079 4.481 4.570 -0.017 0.000 0.299 435 c C 0.658 174.751 174.090 0.005 0.000 1.409 435 c CA 0.903 57.231 56.329 -0.002 0.000 2.007 435 c CB -2.807 39.705 42.510 0.003 0.000 1.264 435 c HN 0.994 nan 8.230 nan 0.000 0.777 436 R N -1.888 118.614 120.500 0.003 0.000 3.516 436 R HA -0.211 4.119 4.340 -0.017 0.000 0.271 436 R C 1.298 177.601 176.300 0.005 0.000 1.098 436 R CA 1.250 57.352 56.100 0.004 0.000 0.732 436 R CB -2.017 28.286 30.300 0.005 0.000 1.152 436 R HN 2.036 nan 8.270 nan 0.000 0.455 437 G N -2.119 106.684 108.800 0.005 0.000 2.213 437 G HA2 -0.320 3.630 3.960 -0.017 0.000 0.236 437 G HA3 -0.320 3.630 3.960 -0.017 0.000 0.236 437 G C 0.619 175.530 174.900 0.018 0.000 0.991 437 G CA 0.186 45.289 45.100 0.006 0.000 0.629 437 G HN 0.736 nan 8.290 nan 0.000 0.517 438 A N -0.485 122.351 122.820 0.027 0.000 2.307 438 A HA 0.616 4.926 4.320 -0.017 0.000 0.218 438 A C 1.281 178.911 177.584 0.076 0.000 1.228 438 A CA 1.649 53.713 52.037 0.044 0.000 0.857 438 A CB -0.719 18.305 19.000 0.038 0.000 0.897 438 A HN 2.106 nan 8.150 nan 0.000 0.495 439 c N -2.502 116.144 118.600 0.076 0.000 3.288 439 c HA 0.783 5.343 4.570 -0.017 0.000 0.318 439 c C -0.999 173.143 174.090 0.088 0.000 1.356 439 c CA -1.276 55.134 56.329 0.135 0.000 1.359 439 c CB 1.173 43.806 42.510 0.204 0.000 1.688 439 c HN 0.248 nan 8.230 nan 0.000 0.467 440 K N 1.209 121.667 120.400 0.097 0.000 2.328 440 K HA 0.793 5.103 4.320 -0.017 0.000 0.246 440 K C -0.825 175.818 176.600 0.071 0.000 0.955 440 K CA -0.464 55.840 56.287 0.028 0.000 0.817 440 K CB 2.257 34.731 32.500 -0.044 0.000 1.208 440 K HN 0.862 nan 8.250 nan 0.000 0.432 441 I N -1.601 118.979 120.570 0.017 0.000 2.693 441 I HA 0.730 4.890 4.170 -0.017 0.000 0.303 441 I C -0.798 175.338 176.117 0.031 0.000 1.025 441 I CA -0.978 60.333 61.300 0.019 0.000 1.086 441 I CB 1.931 39.937 38.000 0.010 0.000 1.268 441 I HN 0.271 nan 8.210 nan 0.000 0.440 442 V N 2.818 122.776 119.914 0.073 0.000 3.049 442 V HA 0.797 4.907 4.120 -0.017 0.000 0.309 442 V C 0.305 176.614 176.094 0.358 0.000 1.148 442 V CA -0.215 62.199 62.300 0.191 0.000 0.990 442 V CB 2.178 34.031 31.823 0.049 0.000 1.039 442 V HN 1.097 nan 8.190 nan 0.000 0.430 443 G N 1.699 110.790 108.800 0.485 0.000 2.572 443 G HA2 0.493 4.443 3.960 -0.017 0.000 0.261 443 G HA3 0.493 4.443 3.960 -0.017 0.000 0.261 443 G C -0.438 174.630 174.900 0.280 0.000 1.197 443 G CA 0.221 45.586 45.100 0.443 0.000 0.870 443 G HN 1.102 nan 8.290 nan 0.000 0.548 444 S N 0.507 116.351 115.700 0.241 0.000 2.779 444 S HA 0.537 4.997 4.470 -0.017 0.000 0.293 444 S C -1.764 172.909 174.600 0.121 0.000 1.150 444 S CA -1.319 56.981 58.200 0.168 0.000 1.057 444 S CB 2.307 65.622 63.200 0.192 0.000 1.021 444 S HN 0.357 nan 8.310 nan 0.000 0.485 445 P HA 0.098 nan 4.420 nan 0.000 0.242 445 P C 0.092 177.452 177.300 0.100 0.000 1.197 445 P CA 0.552 63.710 63.100 0.097 0.000 0.765 445 P CB 0.133 31.885 31.700 0.087 0.000 0.936 446 D N -0.748 119.710 120.400 0.098 0.000 2.349 446 D HA 0.062 4.691 4.640 -0.017 0.000 0.214 446 D C 0.764 177.120 176.300 0.094 0.000 1.063 446 D CA -0.231 53.827 54.000 0.096 0.000 0.847 446 D CB 0.224 41.076 40.800 0.087 0.000 0.933 446 D HN 0.147 nan 8.370 nan 0.000 0.513 447 L N 1.789 123.065 121.223 0.088 0.000 2.490 447 L HA 0.024 4.354 4.340 -0.017 0.000 0.274 447 L C 0.230 177.097 176.870 -0.005 0.000 1.201 447 L CA 0.554 55.425 54.840 0.052 0.000 0.869 447 L CB 0.329 42.406 42.059 0.030 0.000 1.123 447 L HN -0.324 nan 8.230 nan 0.000 0.484 448 K N 5.087 125.459 120.400 -0.047 0.000 2.221 448 K HA 0.560 4.870 4.320 -0.017 0.000 0.243 448 K C -2.457 173.994 176.600 -0.247 0.000 0.968 448 K CA -2.192 54.023 56.287 -0.121 0.000 0.846 448 K CB 1.108 33.596 32.500 -0.020 0.000 1.141 448 K HN 0.297 nan 8.250 nan 0.000 0.434 449 P HA -0.012 nan 4.420 nan 0.000 0.268 449 P C -0.401 176.816 177.300 -0.137 0.000 1.208 449 P CA 0.195 63.095 63.100 -0.333 0.000 0.777 449 P CB 0.432 31.948 31.700 -0.307 0.000 0.875 450 E N 0.340 120.481 120.200 -0.099 0.000 2.390 450 E HA 0.262 4.602 4.350 -0.017 0.000 0.261 450 E C -0.181 176.444 176.600 0.041 0.000 1.076 450 E CA 0.203 56.597 56.400 -0.011 0.000 0.905 450 E CB 0.300 30.023 29.700 0.037 0.000 0.984 450 E HN 0.324 nan 8.360 nan 0.000 0.427 451 T N 0.767 115.364 114.554 0.072 0.000 2.909 451 T HA 0.447 4.787 4.350 -0.017 0.000 0.299 451 T C -1.120 173.633 174.700 0.088 0.000 1.073 451 T CA -0.680 61.491 62.100 0.119 0.000 0.999 451 T CB 1.521 70.475 68.868 0.143 0.000 1.098 451 T HN 0.546 nan 8.240 nan 0.000 0.477 452 S N 1.916 117.673 115.700 0.095 0.000 2.579 452 S HA 0.746 5.206 4.470 -0.017 0.000 0.272 452 S C -1.628 172.993 174.600 0.035 0.000 1.141 452 S CA -0.848 57.379 58.200 0.045 0.000 0.843 452 S CB 2.393 65.597 63.200 0.006 0.000 1.122 452 S HN 0.743 nan 8.310 nan 0.000 0.468 453 E N 0.562 120.776 120.200 0.024 0.000 2.246 453 E HA 0.599 4.938 4.350 -0.017 0.000 0.266 453 E C -1.571 175.031 176.600 0.003 0.000 0.880 453 E CA -0.451 55.950 56.400 0.003 0.000 0.762 453 E CB 2.047 31.829 29.700 0.137 0.000 1.180 453 E HN 0.627 nan 8.360 nan 0.000 0.416 454 S N 4.895 120.543 115.700 -0.087 0.000 2.526 454 S HA 0.685 5.144 4.470 -0.017 0.000 0.293 454 S C -1.577 173.109 174.600 0.145 0.000 1.092 454 S CA -0.735 57.459 58.200 -0.009 0.000 0.980 454 S CB 0.686 63.854 63.200 -0.054 0.000 1.048 454 S HN 0.554 nan 8.310 nan 0.000 0.483 455 W N 4.111 125.504 121.300 0.156 0.000 2.936 455 W HA 0.774 5.425 4.660 -0.014 0.000 0.338 455 W C -1.286 175.352 176.519 0.198 0.000 1.121 455 W CA -0.834 56.632 57.345 0.201 0.000 1.209 455 W CB 0.751 30.360 29.460 0.249 0.000 1.420 455 W HN 0.827 nan 8.180 nan 0.000 0.516 456 E N 2.521 123.063 120.200 0.571 0.000 2.383 456 E HA 0.714 5.054 4.350 -0.017 0.000 0.275 456 E C -2.554 174.324 176.600 0.463 0.000 0.918 456 E CA -1.079 55.573 56.400 0.421 0.000 0.764 456 E CB 2.856 32.721 29.700 0.274 0.000 1.252 456 E HN 0.400 nan 8.360 nan 0.000 0.449 457 L N 1.419 122.896 121.223 0.424 0.000 2.439 457 L HA 0.741 5.071 4.340 -0.017 0.000 0.270 457 L C -0.966 176.065 176.870 0.269 0.000 0.972 457 L CA -0.003 55.025 54.840 0.313 0.000 0.836 457 L CB 2.078 44.333 42.059 0.327 0.000 1.255 457 L HN 0.792 nan 8.230 nan 0.000 0.404 458 G N 3.996 112.960 108.800 0.273 0.000 2.495 458 G HA2 0.594 4.544 3.960 -0.017 0.000 0.318 458 G HA3 0.594 4.544 3.960 -0.017 0.000 0.318 458 G C -2.139 172.946 174.900 0.308 0.000 1.257 458 G CA -0.560 44.719 45.100 0.300 0.000 0.962 458 G HN 0.572 nan 8.290 nan 0.000 0.483 459 L N 1.784 123.110 121.223 0.171 0.000 2.305 459 L HA 0.729 5.059 4.340 -0.017 0.000 0.284 459 L C -1.450 175.465 176.870 0.074 0.000 1.013 459 L CA -0.959 53.986 54.840 0.175 0.000 0.819 459 L CB 0.892 43.012 42.059 0.101 0.000 1.227 459 L HN 0.488 nan 8.230 nan 0.000 0.417 460 Y N 4.283 124.639 120.300 0.095 0.000 2.549 460 Y HA 0.580 5.120 4.550 -0.017 0.000 0.339 460 Y C -1.117 174.865 175.900 0.137 0.000 1.053 460 Y CA -0.473 57.684 58.100 0.094 0.000 1.105 460 Y CB 1.932 40.427 38.460 0.059 0.000 1.258 460 Y HN 0.542 nan 8.280 nan 0.000 0.478 461 Y N 2.898 123.269 120.300 0.118 0.000 2.401 461 Y HA 0.580 5.119 4.550 -0.017 0.000 0.330 461 Y C -1.747 174.166 175.900 0.023 0.000 1.071 461 Y CA -1.337 56.787 58.100 0.041 0.000 1.049 461 Y CB 1.613 40.063 38.460 -0.016 0.000 1.239 461 Y HN 0.637 nan 8.280 nan 0.000 0.437 462 M N 6.153 125.354 119.600 -0.665 0.000 2.067 462 M HA 0.618 5.087 4.480 -0.017 0.000 0.286 462 M C -0.621 175.192 176.300 -0.812 0.000 0.922 462 M CA -0.331 54.651 55.300 -0.532 0.000 0.937 462 M CB 1.023 33.481 32.600 -0.237 0.000 1.550 462 M HN 0.779 nan 8.290 nan 0.000 0.433 463 G N 2.701 111.055 108.800 -0.743 0.000 2.569 463 G HA2 0.395 4.345 3.960 -0.017 0.000 0.249 463 G HA3 0.395 4.345 3.960 -0.017 0.000 0.249 463 G C -0.133 174.631 174.900 -0.228 0.000 1.216 463 G CA -0.265 44.572 45.100 -0.437 0.000 0.845 463 G HN 0.888 nan 8.290 nan 0.000 0.568 464 E N -0.545 119.566 120.200 -0.149 0.000 2.535 464 E HA 0.101 4.441 4.350 -0.017 0.000 0.216 464 E C 0.125 176.695 176.600 -0.051 0.000 0.845 464 E CA 0.103 56.446 56.400 -0.095 0.000 1.306 464 E CB 0.976 30.622 29.700 -0.090 0.000 1.291 464 E HN 0.606 nan 8.360 nan 0.000 0.635 465 E N -0.110 120.066 120.200 -0.040 0.000 2.343 465 E HA 0.480 4.820 4.350 -0.017 0.000 0.270 465 E C 0.055 176.657 176.600 0.004 0.000 0.895 465 E CA -0.308 56.089 56.400 -0.005 0.000 0.767 465 E CB 2.177 31.885 29.700 0.012 0.000 1.248 465 E HN 0.188 nan 8.360 nan 0.000 0.440 466 G N 2.229 111.057 108.800 0.048 0.000 2.574 466 G HA2 -0.327 3.623 3.960 -0.017 0.000 0.282 466 G HA3 -0.327 3.623 3.960 -0.017 0.000 0.282 466 G C 0.676 175.646 174.900 0.117 0.000 1.257 466 G CA 0.469 45.637 45.100 0.113 0.000 0.956 466 G HN 0.857 nan 8.290 nan 0.000 0.560 467 W N -0.293 121.023 121.300 0.027 0.000 2.560 467 W HA 0.233 4.883 4.660 -0.017 0.000 0.252 467 W C 1.192 177.720 176.519 0.015 0.000 1.242 467 W CA 1.244 58.600 57.345 0.020 0.000 1.242 467 W CB -0.699 28.769 29.460 0.014 0.000 1.136 467 W HN 0.305 nan 8.180 nan 0.000 0.625 468 L N 0.606 121.556 121.223 -0.455 0.000 2.906 468 L HA 0.232 4.561 4.340 -0.017 0.000 0.255 468 L C 0.866 177.620 176.870 -0.194 0.000 1.166 468 L CA -0.174 54.364 54.840 -0.503 0.000 0.977 468 L CB -0.141 41.535 42.059 -0.638 0.000 1.313 468 L HN -0.205 nan 8.230 nan 0.000 0.549 469 E N 0.813 120.944 120.200 -0.116 0.000 2.480 469 E HA 0.137 4.476 4.350 -0.017 0.000 0.258 469 E C 1.201 177.761 176.600 -0.067 0.000 0.984 469 E CA 0.910 57.268 56.400 -0.071 0.000 0.930 469 E CB 0.420 30.104 29.700 -0.027 0.000 0.936 469 E HN 0.337 nan 8.360 nan 0.000 0.466 470 G N 2.868 111.624 108.800 -0.072 0.000 2.184 470 G HA2 -0.278 3.671 3.960 -0.017 0.000 0.264 470 G HA3 -0.278 3.671 3.960 -0.017 0.000 0.264 470 G C 0.209 175.074 174.900 -0.059 0.000 0.975 470 G CA 0.203 45.269 45.100 -0.057 0.000 0.642 470 G HN 0.512 nan 8.290 nan 0.000 0.536 471 V N 2.064 121.937 119.914 -0.069 0.000 2.455 471 V HA 0.491 4.601 4.120 -0.017 0.000 0.273 471 V C 0.502 176.611 176.094 0.025 0.000 1.045 471 V CA 0.460 62.735 62.300 -0.041 0.000 0.976 471 V CB 1.104 32.877 31.823 -0.084 0.000 0.993 471 V HN 0.604 nan 8.190 nan 0.000 0.475 472 E N 4.407 124.624 120.200 0.028 0.000 2.222 472 E HA 0.789 5.129 4.350 -0.017 0.000 0.267 472 E C -0.725 175.922 176.600 0.078 0.000 0.884 472 E CA -0.724 55.713 56.400 0.062 0.000 0.764 472 E CB 2.203 31.920 29.700 0.028 0.000 1.169 472 E HN 0.587 nan 8.360 nan 0.000 0.413 473 S N 1.690 117.457 115.700 0.112 0.000 2.607 473 S HA 0.808 5.268 4.470 -0.017 0.000 0.273 473 S C -0.866 173.714 174.600 -0.034 0.000 1.148 473 S CA -0.413 57.810 58.200 0.039 0.000 0.833 473 S CB 1.561 64.776 63.200 0.025 0.000 1.130 473 S HN 1.059 nan 8.310 nan 0.000 0.470 474 S N -0.283 115.338 115.700 -0.132 0.000 2.552 474 S HA 0.719 5.179 4.470 -0.017 0.000 0.272 474 S C -1.718 172.759 174.600 -0.206 0.000 1.150 474 S CA -0.741 57.258 58.200 -0.335 0.000 0.849 474 S CB 1.100 63.788 63.200 -0.853 0.000 1.113 474 S HN 1.341 nan 8.310 nan 0.000 0.458 475 V N 1.782 121.585 119.914 -0.185 0.000 2.577 475 V HA 0.749 4.859 4.120 -0.017 0.000 0.303 475 V C -0.621 175.455 176.094 -0.031 0.000 1.042 475 V CA -0.370 61.893 62.300 -0.061 0.000 0.872 475 V CB 1.870 33.691 31.823 -0.004 0.000 0.998 475 V HN 1.066 nan 8.190 nan 0.000 0.423 476 T N 3.832 118.404 114.554 0.031 0.000 2.881 476 T HA 0.658 4.998 4.350 -0.017 0.000 0.290 476 T C -0.670 174.122 174.700 0.155 0.000 1.000 476 T CA -0.456 61.713 62.100 0.115 0.000 0.978 476 T CB 1.934 70.881 68.868 0.131 0.000 0.997 476 T HN 0.343 nan 8.240 nan 0.000 0.443 477 V N 4.581 124.595 119.914 0.168 0.000 2.628 477 V HA 0.858 4.967 4.120 -0.017 0.000 0.306 477 V C -0.845 175.269 176.094 0.033 0.000 1.045 477 V CA -0.847 61.500 62.300 0.079 0.000 0.905 477 V CB 1.352 33.236 31.823 0.103 0.000 0.997 477 V HN 0.893 nan 8.190 nan 0.000 0.436 478 F N 2.340 122.111 119.950 -0.298 0.000 2.645 478 F HA 0.838 5.354 4.527 -0.018 0.000 0.310 478 F C -0.905 174.450 175.800 -0.742 0.000 1.102 478 F CA -1.182 56.488 58.000 -0.551 0.000 0.952 478 F CB 1.801 40.636 39.000 -0.275 0.000 1.326 478 F HN 0.434 nan 8.300 nan 0.000 0.456 479 R N 2.425 122.404 120.500 -0.870 0.000 2.575 479 R HA 0.514 4.843 4.340 -0.017 0.000 0.293 479 R C -2.082 174.095 176.300 -0.204 0.000 0.983 479 R CA -0.735 55.001 56.100 -0.607 0.000 0.887 479 R CB 1.696 31.557 30.300 -0.731 0.000 1.184 479 R HN 0.897 nan 8.270 nan 0.000 0.445 480 N N 2.474 121.159 118.700 -0.026 0.000 2.504 480 N HA 0.230 4.960 4.740 -0.017 0.000 0.280 480 N C -1.918 173.580 175.510 -0.020 0.000 1.052 480 N CA -0.535 52.516 53.050 0.002 0.000 0.887 480 N CB 1.583 40.087 38.487 0.029 0.000 1.323 480 N HN 0.454 nan 8.380 nan 0.000 0.509 481 D N 1.727 122.127 120.400 0.000 0.000 2.233 481 D HA 0.365 4.995 4.640 -0.017 0.000 0.240 481 D C -0.566 175.733 176.300 -0.002 0.000 1.074 481 D CA -0.123 53.882 54.000 0.009 0.000 0.838 481 D CB 1.761 42.594 40.800 0.056 0.000 1.124 481 D HN 0.128 nan 8.370 nan 0.000 0.475 482 V N 3.206 123.104 119.914 -0.026 0.000 2.487 482 V HA 0.466 4.576 4.120 -0.017 0.000 0.298 482 V C 0.067 176.153 176.094 -0.012 0.000 1.028 482 V CA -0.808 61.472 62.300 -0.032 0.000 0.860 482 V CB 1.574 33.337 31.823 -0.102 0.000 0.991 482 V HN 0.479 nan 8.190 nan 0.000 0.427 483 K N 1.536 121.943 120.400 0.012 0.000 2.349 483 K HA 0.737 5.047 4.320 -0.017 0.000 0.243 483 K C -0.508 176.100 176.600 0.012 0.000 1.058 483 K CA -0.906 55.389 56.287 0.012 0.000 0.871 483 K CB 1.253 33.769 32.500 0.027 0.000 1.337 483 K HN 0.321 nan 8.250 nan 0.000 0.469 484 D N 0.079 120.479 120.400 -0.001 0.000 2.911 484 D HA -0.159 4.470 4.640 -0.017 0.000 0.227 484 D C -0.825 175.451 176.300 -0.039 0.000 1.164 484 D CA 0.892 54.883 54.000 -0.016 0.000 0.782 484 D CB -0.778 40.025 40.800 0.006 0.000 1.094 484 D HN 0.523 nan 8.370 nan 0.000 0.425 485 R N 0.085 120.559 120.500 -0.043 0.000 2.590 485 R HA 0.383 4.713 4.340 -0.017 0.000 0.274 485 R C 0.978 177.226 176.300 -0.088 0.000 1.061 485 R CA -0.174 55.906 56.100 -0.033 0.000 1.081 485 R CB 0.718 31.010 30.300 -0.013 0.000 0.984 485 R HN 0.159 nan 8.270 nan 0.000 0.448 486 I N 1.204 121.734 120.570 -0.065 0.000 2.529 486 I HA 0.030 4.190 4.170 -0.017 0.000 0.284 486 I C 0.664 176.748 176.117 -0.054 0.000 1.082 486 I CA 0.539 61.798 61.300 -0.067 0.000 1.406 486 I CB 1.243 39.211 38.000 -0.053 0.000 1.405 486 I HN 0.515 nan 8.210 nan 0.000 0.548 487 S N 6.285 121.937 115.700 -0.080 0.000 2.569 487 S HA 0.612 5.072 4.470 -0.017 0.000 0.280 487 S C -0.601 174.085 174.600 0.142 0.000 1.111 487 S CA -0.619 57.562 58.200 -0.032 0.000 0.887 487 S CB 1.494 64.574 63.200 -0.201 0.000 1.095 487 S HN 0.562 nan 8.310 nan 0.000 0.476 488 I N 3.197 123.843 120.570 0.128 0.000 2.944 488 I HA 0.355 4.515 4.170 -0.017 0.000 0.334 488 I C -0.190 175.953 176.117 0.044 0.000 1.420 488 I CA 0.037 61.381 61.300 0.073 0.000 0.856 488 I CB 0.364 38.247 38.000 -0.195 0.000 2.091 488 I HN 0.568 nan 8.210 nan 0.000 0.571 489 S N 3.818 119.608 115.700 0.150 0.000 2.563 489 S HA 0.320 4.779 4.470 -0.017 0.000 0.284 489 S C 0.073 174.626 174.600 -0.079 0.000 1.331 489 S CA 0.019 58.278 58.200 0.098 0.000 1.047 489 S CB 0.343 63.664 63.200 0.201 0.000 0.859 489 S HN 0.687 nan 8.310 nan 0.000 0.514 490 R N 0.025 120.338 120.500 -0.313 0.000 2.756 490 R HA 0.723 5.053 4.340 -0.017 0.000 0.273 490 R C -1.444 174.345 176.300 -0.852 0.000 1.030 490 R CA -0.930 54.405 56.100 -1.276 0.000 0.887 490 R CB 1.458 30.950 30.300 -1.347 0.000 1.274 490 R HN 0.554 nan 8.270 nan 0.000 0.461 491 T N -0.875 113.083 114.554 -0.994 0.000 2.942 491 T HA 0.218 4.558 4.350 -0.017 0.000 0.327 491 T C 0.069 174.723 174.700 -0.078 0.000 1.360 491 T CA -0.030 61.861 62.100 -0.348 0.000 1.055 491 T CB 1.537 70.248 68.868 -0.263 0.000 1.261 491 T HN 0.707 nan 8.240 nan 0.000 0.485 492 S N 1.679 117.374 115.700 -0.008 0.000 2.593 492 S HA 0.150 4.610 4.470 -0.017 0.000 0.217 492 S C 0.400 175.044 174.600 0.073 0.000 0.966 492 S CA -0.076 58.162 58.200 0.064 0.000 0.914 492 S CB -0.082 63.141 63.200 0.038 0.000 0.776 492 S HN 0.688 nan 8.310 nan 0.000 0.523 493 D N 1.931 122.362 120.400 0.050 0.000 2.374 493 D HA 0.190 4.820 4.640 -0.017 0.000 0.240 493 D C 1.095 177.436 176.300 0.068 0.000 1.229 493 D CA -0.253 53.776 54.000 0.049 0.000 0.895 493 D CB 1.026 41.848 40.800 0.037 0.000 1.046 493 D HN -0.025 nan 8.370 nan 0.000 0.498 494 V N 4.413 124.385 119.914 0.097 0.000 2.568 494 V HA -0.236 3.874 4.120 -0.017 0.000 0.253 494 V C 1.883 178.049 176.094 0.119 0.000 1.072 494 V CA 1.410 63.813 62.300 0.172 0.000 1.084 494 V CB -0.362 31.532 31.823 0.117 0.000 0.676 494 V HN 0.583 nan 8.190 nan 0.000 0.469 495 N N -0.027 118.702 118.700 0.048 0.000 2.376 495 N HA 0.040 4.770 4.740 -0.017 0.000 0.177 495 N C 1.771 177.280 175.510 -0.003 0.000 1.024 495 N CA 1.308 54.370 53.050 0.021 0.000 0.893 495 N CB -0.039 38.456 38.487 0.013 0.000 0.980 495 N HN 0.493 nan 8.380 nan 0.000 0.439 496 A N 0.903 123.729 122.820 0.009 0.000 1.975 496 A HA 0.305 4.615 4.320 -0.017 0.000 0.215 496 A C 2.316 179.900 177.584 -0.001 0.000 1.170 496 A CA 1.061 53.124 52.037 0.043 0.000 0.656 496 A CB -0.457 18.610 19.000 0.113 0.000 0.821 496 A HN 0.216 nan 8.150 nan 0.000 0.449 497 A N 0.992 123.717 122.820 -0.158 0.000 1.903 497 A HA -0.139 4.171 4.320 -0.017 0.000 0.219 497 A C 0.027 177.112 177.584 -0.833 0.000 1.191 497 A CA 2.178 53.967 52.037 -0.414 0.000 0.638 497 A CB -1.826 16.895 19.000 -0.466 0.000 0.823 497 A HN 0.442 nan 8.150 nan 0.000 0.451 498 P HA -0.023 nan 4.420 nan 0.000 0.228 498 P C 1.356 178.504 177.300 -0.253 0.000 1.151 498 P CA 1.372 63.895 63.100 -0.961 0.000 0.770 498 P CB -0.295 31.085 31.700 -0.534 0.000 0.786 499 G N -2.079 106.677 108.800 -0.073 0.000 2.511 499 G HA2 -0.127 3.822 3.960 -0.017 0.000 0.217 499 G HA3 -0.127 3.822 3.960 -0.017 0.000 0.217 499 G C 0.204 175.182 174.900 0.129 0.000 1.133 499 G CA -0.053 45.079 45.100 0.053 0.000 0.792 499 G HN 0.251 nan 8.290 nan 0.000 0.539 500 Y N 0.710 120.998 120.300 -0.020 0.000 2.511 500 Y HA 0.021 4.561 4.550 -0.017 0.000 0.332 500 Y C 1.982 177.873 175.900 -0.016 0.000 1.177 500 Y CA -0.192 57.929 58.100 0.035 0.000 1.422 500 Y CB 0.906 39.494 38.460 0.213 0.000 1.271 500 Y HN 0.087 nan 8.280 nan 0.000 0.550 501 Q N 2.452 122.226 119.800 -0.044 0.000 2.152 501 Q HA -0.257 4.072 4.340 -0.017 0.000 0.206 501 Q C 1.239 177.116 176.000 -0.205 0.000 0.985 501 Q CA 1.836 57.551 55.803 -0.147 0.000 0.863 501 Q CB 0.007 28.599 28.738 -0.243 0.000 0.904 501 Q HN 0.812 nan 8.270 nan 0.000 0.422 502 N N -0.558 117.966 118.700 -0.294 0.000 2.268 502 N HA -0.056 4.674 4.740 -0.017 0.000 0.204 502 N C -0.366 175.176 175.510 0.053 0.000 1.124 502 N CA -0.240 52.696 53.050 -0.190 0.000 0.838 502 N CB -0.285 37.992 38.487 -0.350 0.000 0.994 502 N HN 0.095 nan 8.380 nan 0.000 0.489 503 F N 2.540 122.453 119.950 -0.063 0.000 2.543 503 F HA 0.122 4.639 4.527 -0.017 0.000 0.375 503 F C 1.021 176.637 175.800 -0.307 0.000 1.075 503 F CA -0.501 57.302 58.000 -0.329 0.000 1.225 503 F CB 0.905 39.704 39.000 -0.334 0.000 1.099 503 F HN -0.033 nan 8.300 nan 0.000 0.561 504 V N 4.039 123.359 119.914 -0.991 0.000 3.006 504 V HA 0.729 4.839 4.120 -0.017 0.000 0.357 504 V C 0.555 176.024 176.094 -1.042 0.000 1.377 504 V CA 0.267 62.102 62.300 -0.774 0.000 1.198 504 V CB -0.738 30.840 31.823 -0.408 0.000 1.216 504 V HN 1.440 nan 8.190 nan 0.000 0.520 505 G N 0.451 107.994 108.800 -2.094 0.000 2.466 505 G HA2 -0.022 3.928 3.960 -0.017 0.000 0.316 505 G HA3 -0.022 3.928 3.960 -0.017 0.000 0.316 505 G C -0.963 173.249 174.900 -1.147 0.000 1.270 505 G CA -0.454 43.809 45.100 -1.395 0.000 0.982 505 G HN 0.388 nan 8.290 nan 0.000 0.506 506 F N 0.787 120.593 119.950 -0.239 0.000 2.522 506 F HA 0.753 5.270 4.527 -0.017 0.000 0.324 506 F C 0.603 176.340 175.800 -0.105 0.000 1.077 506 F CA -0.655 57.287 58.000 -0.097 0.000 0.944 506 F CB 2.219 41.227 39.000 0.014 0.000 1.175 506 F HN 0.468 nan 8.300 nan 0.000 0.468 507 E N 0.019 120.292 120.200 0.122 0.000 2.440 507 E HA 0.415 4.755 4.350 -0.017 0.000 0.263 507 E C -1.103 175.532 176.600 0.059 0.000 0.938 507 E CA -0.805 55.624 56.400 0.048 0.000 0.831 507 E CB 1.850 31.543 29.700 -0.012 0.000 1.456 507 E HN 0.389 nan 8.360 nan 0.000 0.427 508 T N 0.380 114.947 114.554 0.021 0.000 2.845 508 T HA 0.529 4.869 4.350 -0.017 0.000 0.288 508 T C 0.165 174.870 174.700 0.009 0.000 0.980 508 T CA -0.499 61.609 62.100 0.013 0.000 1.071 508 T CB 1.177 70.045 68.868 -0.001 0.000 0.941 508 T HN 0.485 nan 8.240 nan 0.000 0.487 509 G N 0.513 109.320 108.800 0.012 0.000 2.511 509 G HA2 0.535 4.485 3.960 -0.017 0.000 0.316 509 G HA3 0.535 4.485 3.960 -0.017 0.000 0.316 509 G C 1.191 176.091 174.900 0.000 0.000 1.210 509 G CA -0.331 44.774 45.100 0.009 0.000 0.969 509 G HN 0.811 nan 8.290 nan 0.000 0.492 510 A N 0.816 123.634 122.820 -0.002 0.000 1.944 510 A HA -0.263 4.047 4.320 -0.017 0.000 0.222 510 A C 1.979 179.560 177.584 -0.004 0.000 1.237 510 A CA 2.617 54.651 52.037 -0.005 0.000 0.668 510 A CB -0.627 18.371 19.000 -0.004 0.000 0.830 510 A HN 0.871 nan 8.150 nan 0.000 0.471 511 N N -1.605 117.094 118.700 -0.002 0.000 2.268 511 N HA 0.332 5.062 4.740 -0.017 0.000 0.204 511 N C 0.926 176.432 175.510 -0.005 0.000 1.124 511 N CA 1.298 54.346 53.050 -0.003 0.000 0.838 511 N CB 0.056 38.542 38.487 -0.002 0.000 0.994 511 N HN 1.040 nan 8.380 nan 0.000 0.489 512 G N 0.205 109.001 108.800 -0.006 0.000 2.254 512 G HA2 -0.294 3.656 3.960 -0.017 0.000 0.225 512 G HA3 -0.294 3.656 3.960 -0.017 0.000 0.225 512 G C 0.184 175.076 174.900 -0.012 0.000 1.003 512 G CA 0.132 45.227 45.100 -0.009 0.000 0.622 512 G HN 0.728 nan 8.290 nan 0.000 0.507 513 R N 1.512 122.006 120.500 -0.011 0.000 2.583 513 R HA 0.562 4.892 4.340 -0.017 0.000 0.268 513 R C 0.016 176.310 176.300 -0.010 0.000 1.101 513 R CA -0.553 55.535 56.100 -0.019 0.000 1.180 513 R CB 0.439 30.727 30.300 -0.020 0.000 1.128 513 R HN 0.277 nan 8.270 nan 0.000 0.568 514 R N 1.126 121.607 120.500 -0.032 0.000 2.442 514 R HA 0.201 4.530 4.340 -0.017 0.000 0.291 514 R C -0.019 176.337 176.300 0.095 0.000 1.069 514 R CA 0.062 56.157 56.100 -0.009 0.000 1.022 514 R CB 0.155 30.342 30.300 -0.188 0.000 0.976 514 R HN 0.614 nan 8.270 nan 0.000 0.443 515 I N 1.092 121.770 120.570 0.180 0.000 2.608 515 I HA 0.594 4.754 4.170 -0.017 0.000 0.295 515 I C -2.601 173.686 176.117 0.282 0.000 1.049 515 I CA -3.138 58.289 61.300 0.211 0.000 1.063 515 I CB 2.550 40.616 38.000 0.110 0.000 1.248 515 I HN 0.388 nan 8.210 nan 0.000 0.424 516 P HA 0.258 nan 4.420 nan 0.000 0.278 516 P C -0.844 176.268 177.300 -0.312 0.000 1.238 516 P CA -0.308 62.750 63.100 -0.069 0.000 0.794 516 P CB 1.818 33.499 31.700 -0.031 0.000 0.955 517 V N 3.197 122.684 119.914 -0.711 0.000 2.495 517 V HA 0.480 4.589 4.120 -0.017 0.000 0.298 517 V C -0.201 175.361 176.094 -0.888 0.000 1.031 517 V CA -0.308 61.646 62.300 -0.577 0.000 0.871 517 V CB 0.795 32.361 31.823 -0.429 0.000 0.988 517 V HN 0.361 nan 8.190 nan 0.000 0.432 518 F N 1.557 121.394 119.950 -0.189 0.000 2.579 518 F HA 0.811 5.328 4.527 -0.017 0.000 0.324 518 F C 0.487 176.184 175.800 -0.171 0.000 1.058 518 F CA -0.660 57.245 58.000 -0.158 0.000 0.944 518 F CB 2.182 41.124 39.000 -0.097 0.000 1.245 518 F HN 0.545 nan 8.300 nan 0.000 0.477 519 S N -0.447 115.274 115.700 0.035 0.000 2.715 519 S HA 0.669 5.128 4.470 -0.017 0.000 0.307 519 S C -1.356 173.236 174.600 -0.013 0.000 1.119 519 S CA -0.851 57.325 58.200 -0.041 0.000 0.937 519 S CB 0.868 64.098 63.200 0.051 0.000 1.150 519 S HN 0.399 nan 8.310 nan 0.000 0.521 520 Y N 1.445 121.857 120.300 0.187 0.000 2.511 520 Y HA 0.377 4.916 4.550 -0.017 0.000 0.332 520 Y C 0.307 176.378 175.900 0.285 0.000 1.177 520 Y CA 0.107 58.325 58.100 0.195 0.000 1.422 520 Y CB 0.025 38.529 38.460 0.074 0.000 1.271 520 Y HN 0.756 nan 8.280 nan 0.000 0.550 521 Y N -0.889 119.513 120.300 0.169 0.000 2.609 521 Y HA 0.600 5.140 4.550 -0.017 0.000 0.342 521 Y C -1.412 174.541 175.900 0.088 0.000 1.058 521 Y CA -1.813 56.356 58.100 0.116 0.000 1.055 521 Y CB 1.188 39.707 38.460 0.098 0.000 1.292 521 Y HN 0.469 nan 8.280 nan 0.000 0.476 522 N N 1.224 119.927 118.700 0.006 0.000 2.419 522 N HA 0.417 5.146 4.740 -0.017 0.000 0.264 522 N C -0.239 175.165 175.510 -0.177 0.000 1.031 522 N CA -0.278 52.712 53.050 -0.100 0.000 0.951 522 N CB 2.206 40.689 38.487 -0.007 0.000 1.101 522 N HN 0.665 nan 8.380 nan 0.000 0.488 523 V N 2.111 121.859 119.914 -0.276 0.000 3.602 523 V HA 0.182 4.292 4.120 -0.017 0.000 0.186 523 V C -0.360 175.656 176.094 -0.130 0.000 1.444 523 V CA 0.142 62.307 62.300 -0.225 0.000 1.221 523 V CB -0.004 31.549 31.823 -0.449 0.000 1.180 523 V HN 0.525 nan 8.190 nan 0.000 0.554 524 N N 2.280 120.893 118.700 -0.146 0.000 2.444 524 N HA 0.372 5.102 4.740 -0.017 0.000 0.255 524 N C -0.681 174.799 175.510 -0.051 0.000 1.255 524 N CA 0.331 53.331 53.050 -0.084 0.000 0.933 524 N CB 0.587 39.026 38.487 -0.081 0.000 1.143 524 N HN 0.517 nan 8.380 nan 0.000 0.453 525 K N 0.311 120.687 120.400 -0.039 0.000 2.464 525 K HA 0.763 5.072 4.320 -0.017 0.000 0.253 525 K C -1.278 175.299 176.600 -0.038 0.000 0.933 525 K CA -0.830 55.440 56.287 -0.029 0.000 0.801 525 K CB 2.297 34.789 32.500 -0.013 0.000 1.271 525 K HN 0.582 nan 8.250 nan 0.000 0.430 526 A N 2.157 124.949 122.820 -0.046 0.000 2.475 526 A HA 0.672 4.982 4.320 -0.017 0.000 0.301 526 A C -1.425 176.128 177.584 -0.052 0.000 1.059 526 A CA -0.763 51.238 52.037 -0.061 0.000 0.710 526 A CB 1.595 20.536 19.000 -0.098 0.000 1.288 526 A HN 0.775 nan 8.150 nan 0.000 0.408 527 R N 2.062 122.532 120.500 -0.050 0.000 2.409 527 R HA 0.684 5.014 4.340 -0.017 0.000 0.313 527 R C -1.884 174.374 176.300 -0.071 0.000 0.953 527 R CA -0.397 55.676 56.100 -0.045 0.000 0.849 527 R CB 0.656 30.942 30.300 -0.022 0.000 1.171 527 R HN 0.602 nan 8.270 nan 0.000 0.458 528 I N 3.597 124.122 120.570 -0.076 0.000 2.404 528 I HA 0.323 4.483 4.170 -0.017 0.000 0.293 528 I C -0.312 175.689 176.117 -0.193 0.000 0.992 528 I CA -0.462 60.782 61.300 -0.093 0.000 1.149 528 I CB 2.068 40.060 38.000 -0.013 0.000 1.315 528 I HN 0.530 nan 8.210 nan 0.000 0.446 529 Q N 4.060 123.661 119.800 -0.331 0.000 2.372 529 Q HA 0.822 5.152 4.340 -0.017 0.000 0.273 529 Q C -0.489 175.054 176.000 -0.762 0.000 1.078 529 Q CA -0.973 54.465 55.803 -0.607 0.000 0.806 529 Q CB 3.130 31.667 28.738 -0.335 0.000 1.332 529 Q HN 0.871 nan 8.270 nan 0.000 0.435 530 G N -0.055 107.969 108.800 -1.293 0.000 2.645 530 G HA2 0.602 4.551 3.960 -0.017 0.000 0.292 530 G HA3 0.602 4.551 3.960 -0.017 0.000 0.292 530 G C -1.929 172.725 174.900 -0.410 0.000 1.415 530 G CA -0.494 44.144 45.100 -0.770 0.000 0.785 530 G HN 0.424 nan 8.290 nan 0.000 0.483 531 V N -0.419 119.479 119.914 -0.027 0.000 2.668 531 V HA 0.753 4.863 4.120 -0.017 0.000 0.304 531 V C -1.529 174.619 176.094 0.091 0.000 1.071 531 V CA -0.662 61.680 62.300 0.069 0.000 0.894 531 V CB 1.795 33.662 31.823 0.074 0.000 1.008 531 V HN 0.816 nan 8.190 nan 0.000 0.425 532 E N 4.292 124.560 120.200 0.113 0.000 2.191 532 E HA 0.641 4.981 4.350 -0.017 0.000 0.263 532 E C -0.653 175.980 176.600 0.056 0.000 0.881 532 E CA -0.595 55.846 56.400 0.067 0.000 0.757 532 E CB 2.187 31.931 29.700 0.073 0.000 1.147 532 E HN 0.886 nan 8.360 nan 0.000 0.414 533 T N 0.156 114.757 114.554 0.078 0.000 2.916 533 T HA 0.676 5.016 4.350 -0.017 0.000 0.292 533 T C -0.521 174.214 174.700 0.057 0.000 1.055 533 T CA -0.875 61.266 62.100 0.068 0.000 1.009 533 T CB 2.183 71.130 68.868 0.131 0.000 1.118 533 T HN 0.449 nan 8.240 nan 0.000 0.497 534 E N 0.355 120.567 120.200 0.020 0.000 2.363 534 E HA 0.569 4.909 4.350 -0.017 0.000 0.281 534 E C -2.318 174.293 176.600 0.018 0.000 0.953 534 E CA -0.893 55.522 56.400 0.025 0.000 0.778 534 E CB 2.088 31.791 29.700 0.005 0.000 1.220 534 E HN 0.603 nan 8.360 nan 0.000 0.431 535 L N 3.534 124.777 121.223 0.034 0.000 2.476 535 L HA 0.517 4.847 4.340 -0.017 0.000 0.269 535 L C -1.858 175.034 176.870 0.036 0.000 0.965 535 L CA -0.266 54.590 54.840 0.027 0.000 0.845 535 L CB 1.486 43.559 42.059 0.023 0.000 1.259 535 L HN 0.449 nan 8.230 nan 0.000 0.403 536 K N 6.602 127.016 120.400 0.023 0.000 2.376 536 K HA 0.705 5.015 4.320 -0.017 0.000 0.257 536 K C -1.305 175.280 176.600 -0.025 0.000 0.939 536 K CA -0.489 55.812 56.287 0.023 0.000 0.809 536 K CB 2.232 34.750 32.500 0.029 0.000 1.121 536 K HN 0.505 nan 8.250 nan 0.000 0.425 537 I N 4.198 124.739 120.570 -0.050 0.000 2.439 537 I HA 0.261 4.421 4.170 -0.017 0.000 0.285 537 I C -2.460 173.560 176.117 -0.162 0.000 1.021 537 I CA -2.425 58.747 61.300 -0.214 0.000 1.091 537 I CB 2.042 39.748 38.000 -0.491 0.000 1.242 537 I HN 0.291 nan 8.210 nan 0.000 0.439 538 P HA 0.273 nan 4.420 nan 0.000 0.283 538 P C 0.172 177.486 177.300 0.024 0.000 1.412 538 P CA -0.284 62.842 63.100 0.042 0.000 0.912 538 P CB 0.161 31.893 31.700 0.054 0.000 1.132 539 F N 1.545 121.601 119.950 0.177 0.000 2.186 539 F HA -0.083 4.434 4.527 -0.017 0.000 0.299 539 F C 1.230 177.141 175.800 0.184 0.000 1.090 539 F CA 1.409 59.510 58.000 0.168 0.000 1.307 539 F CB -0.244 38.846 39.000 0.150 0.000 1.019 539 F HN 0.290 nan 8.300 nan 0.000 0.489 540 N N -1.870 117.082 118.700 0.420 0.000 3.316 540 N HA 0.103 4.833 4.740 -0.017 0.000 0.300 540 N C -0.380 175.276 175.510 0.244 0.000 1.567 540 N CA -0.715 52.526 53.050 0.320 0.000 0.821 540 N CB 0.752 39.479 38.487 0.401 0.000 1.748 540 N HN -0.304 nan 8.380 nan 0.000 0.603 541 D N 0.585 121.099 120.400 0.190 0.000 2.378 541 D HA -0.085 4.545 4.640 -0.017 0.000 0.222 541 D C 0.553 176.930 176.300 0.128 0.000 0.980 541 D CA 1.141 55.222 54.000 0.134 0.000 0.907 541 D CB 0.131 40.992 40.800 0.101 0.000 0.899 541 D HN 0.581 nan 8.370 nan 0.000 0.527 542 E N -1.676 118.633 120.200 0.181 0.000 2.641 542 E HA 0.051 4.391 4.350 -0.017 0.000 0.224 542 E C -0.285 176.315 176.600 0.000 0.000 0.951 542 E CA -0.395 56.049 56.400 0.073 0.000 1.102 542 E CB 0.055 29.781 29.700 0.043 0.000 1.091 542 E HN 0.039 nan 8.360 nan 0.000 0.507 543 W N 2.065 123.542 121.300 0.296 0.000 2.554 543 W HA 0.493 5.142 4.660 -0.017 0.000 0.324 543 W C -0.295 176.432 176.519 0.347 0.000 1.018 543 W CA -0.802 56.724 57.345 0.301 0.000 1.243 543 W CB 1.781 31.355 29.460 0.190 0.000 1.345 543 W HN -0.276 nan 8.180 nan 0.000 0.441 544 K N 3.992 124.687 120.400 0.492 0.000 2.426 544 K HA 0.529 4.839 4.320 -0.017 0.000 0.254 544 K C -1.784 175.045 176.600 0.382 0.000 0.936 544 K CA -0.998 55.514 56.287 0.375 0.000 0.801 544 K CB 2.060 34.695 32.500 0.226 0.000 1.139 544 K HN 0.607 nan 8.250 nan 0.000 0.424 545 L N 2.175 123.624 121.223 0.377 0.000 2.322 545 L HA 0.488 4.818 4.340 -0.017 0.000 0.281 545 L C -1.066 175.922 176.870 0.197 0.000 1.014 545 L CA 0.098 55.135 54.840 0.327 0.000 0.815 545 L CB 1.901 44.230 42.059 0.452 0.000 1.247 545 L HN 0.478 nan 8.230 nan 0.000 0.421 546 S N 6.222 122.023 115.700 0.169 0.000 2.594 546 S HA 0.783 5.243 4.470 -0.017 0.000 0.296 546 S C -0.801 173.867 174.600 0.114 0.000 1.124 546 S CA -0.514 57.756 58.200 0.116 0.000 1.011 546 S CB 1.193 64.448 63.200 0.092 0.000 1.016 546 S HN 0.644 nan 8.310 nan 0.000 0.485 547 I N 0.963 121.591 120.570 0.095 0.000 2.769 547 I HA 0.828 4.988 4.170 -0.017 0.000 0.298 547 I C -1.310 174.857 176.117 0.084 0.000 1.128 547 I CA -0.919 60.437 61.300 0.093 0.000 1.031 547 I CB 2.419 40.475 38.000 0.093 0.000 1.235 547 I HN 0.628 nan 8.210 nan 0.000 0.423 548 N N 3.151 121.908 118.700 0.094 0.000 2.571 548 N HA 0.652 5.381 4.740 -0.017 0.000 0.273 548 N C -1.707 173.906 175.510 0.172 0.000 1.340 548 N CA -0.788 52.327 53.050 0.109 0.000 0.789 548 N CB 1.594 40.126 38.487 0.074 0.000 1.514 548 N HN 0.825 nan 8.380 nan 0.000 0.499 549 Y N -1.005 119.314 120.300 0.032 0.000 2.544 549 Y HA 0.670 5.209 4.550 -0.017 0.000 0.342 549 Y C -1.850 174.088 175.900 0.064 0.000 1.062 549 Y CA -0.442 57.685 58.100 0.045 0.000 1.023 549 Y CB 2.256 40.740 38.460 0.040 0.000 1.308 549 Y HN 0.709 nan 8.280 nan 0.000 0.457 550 T N 5.812 119.876 114.554 -0.817 0.000 3.011 550 T HA 0.242 4.582 4.350 -0.017 0.000 0.303 550 T C -2.184 172.083 174.700 -0.722 0.000 0.997 550 T CA -0.427 61.339 62.100 -0.557 0.000 1.007 550 T CB 0.447 69.196 68.868 -0.198 0.000 1.017 550 T HN 0.523 nan 8.240 nan 0.000 0.443 551 Y N 4.223 124.125 120.300 -0.664 0.000 2.334 551 Y HA 0.566 5.105 4.550 -0.018 0.000 0.336 551 Y C -0.619 175.138 175.900 -0.238 0.000 0.960 551 Y CA -0.771 57.045 58.100 -0.472 0.000 1.164 551 Y CB 0.695 38.948 38.460 -0.346 0.000 1.155 551 Y HN 0.468 nan 8.280 nan 0.000 0.478 552 N N 4.581 122.937 118.700 -0.573 0.000 2.321 552 N HA 0.206 4.935 4.740 -0.017 0.000 0.299 552 N C -1.883 173.255 175.510 -0.620 0.000 1.048 552 N CA -0.583 52.203 53.050 -0.440 0.000 0.836 552 N CB 1.818 40.208 38.487 -0.163 0.000 1.269 552 N HN 0.660 nan 8.380 nan 0.000 0.486 553 D N 0.359 120.486 120.400 -0.456 0.000 2.421 553 D HA 0.385 5.015 4.640 -0.017 0.000 0.254 553 D C -0.466 175.723 176.300 -0.186 0.000 1.238 553 D CA -0.441 53.370 54.000 -0.315 0.000 0.919 553 D CB 0.816 41.491 40.800 -0.207 0.000 1.152 553 D HN 0.549 nan 8.370 nan 0.000 0.552 554 G N 3.200 111.908 108.800 -0.154 0.000 2.332 554 G HA2 0.552 4.502 3.960 -0.017 0.000 0.310 554 G HA3 0.552 4.502 3.960 -0.017 0.000 0.310 554 G C -0.267 174.582 174.900 -0.085 0.000 1.123 554 G CA -0.713 44.315 45.100 -0.120 0.000 0.873 554 G HN 0.267 nan 8.290 nan 0.000 0.460 555 R N 1.808 122.267 120.500 -0.069 0.000 2.514 555 R HA 0.296 4.625 4.340 -0.017 0.000 0.301 555 R C -1.163 175.109 176.300 -0.048 0.000 0.962 555 R CA -0.978 55.094 56.100 -0.047 0.000 0.882 555 R CB 2.162 32.445 30.300 -0.029 0.000 1.143 555 R HN 0.593 nan 8.270 nan 0.000 0.452 556 D N 2.702 123.077 120.400 -0.041 0.000 2.339 556 D HA 0.080 4.710 4.640 -0.017 0.000 0.241 556 D C 0.498 176.782 176.300 -0.025 0.000 1.183 556 D CA -0.292 53.685 54.000 -0.038 0.000 0.859 556 D CB 1.064 41.842 40.800 -0.035 0.000 1.067 556 D HN 0.335 nan 8.370 nan 0.000 0.484 557 V N 1.303 121.203 119.914 -0.023 0.000 3.043 557 V HA 0.306 4.416 4.120 -0.017 0.000 0.357 557 V C 0.397 176.485 176.094 -0.010 0.000 1.372 557 V CA -0.721 61.572 62.300 -0.012 0.000 1.214 557 V CB -0.551 31.269 31.823 -0.005 0.000 1.224 557 V HN 0.304 nan 8.190 nan 0.000 0.507 558 S N 1.999 117.689 115.700 -0.016 0.000 2.549 558 S HA 0.264 4.724 4.470 -0.017 0.000 0.283 558 S C 0.509 175.105 174.600 -0.007 0.000 1.320 558 S CA 0.231 58.421 58.200 -0.016 0.000 1.058 558 S CB -0.297 62.887 63.200 -0.026 0.000 0.882 558 S HN 0.901 nan 8.310 nan 0.000 0.498 559 N N 1.358 120.058 118.700 0.000 0.000 2.641 559 N HA -0.181 4.549 4.740 -0.017 0.000 0.267 559 N C 0.863 176.376 175.510 0.005 0.000 1.087 559 N CA 0.213 53.267 53.050 0.006 0.000 0.731 559 N CB -1.433 37.057 38.487 0.005 0.000 0.886 559 N HN 1.130 nan 8.380 nan 0.000 0.547 560 G N -0.954 107.851 108.800 0.008 0.000 2.230 560 G HA2 -0.394 3.556 3.960 -0.017 0.000 0.270 560 G HA3 -0.394 3.556 3.960 -0.017 0.000 0.270 560 G C 0.132 175.036 174.900 0.006 0.000 0.987 560 G CA 1.214 46.319 45.100 0.008 0.000 0.664 560 G HN 0.600 nan 8.290 nan 0.000 0.539 561 E N 0.057 120.259 120.200 0.002 0.000 2.283 561 E HA 0.397 4.737 4.350 -0.017 0.000 0.267 561 E C -0.379 176.221 176.600 -0.000 0.000 1.045 561 E CA -0.747 55.653 56.400 0.001 0.000 0.884 561 E CB 1.081 30.779 29.700 -0.003 0.000 1.106 561 E HN 0.180 nan 8.360 nan 0.000 0.408 562 N N 2.070 120.770 118.700 0.000 0.000 2.664 562 N HA 0.167 4.897 4.740 -0.017 0.000 0.257 562 N C -1.436 174.073 175.510 -0.002 0.000 1.108 562 N CA -0.161 52.888 53.050 -0.001 0.000 0.822 562 N CB 0.534 39.024 38.487 0.004 0.000 1.199 562 N HN 0.283 nan 8.380 nan 0.000 0.529 563 K N 1.700 122.096 120.400 -0.007 0.000 2.350 563 K HA 0.645 4.955 4.320 -0.017 0.000 0.241 563 K C -2.593 173.998 176.600 -0.014 0.000 0.994 563 K CA -1.868 54.415 56.287 -0.007 0.000 0.839 563 K CB 1.606 34.101 32.500 -0.008 0.000 1.244 563 K HN 0.231 nan 8.250 nan 0.000 0.443 564 P HA 0.071 nan 4.420 nan 0.000 0.272 564 P C -0.473 176.806 177.300 -0.035 0.000 1.223 564 P CA -0.205 62.883 63.100 -0.021 0.000 0.784 564 P CB 0.545 32.240 31.700 -0.008 0.000 0.923 565 L N 0.813 122.003 121.223 -0.055 0.000 2.744 565 L HA 0.131 4.461 4.340 -0.017 0.000 0.218 565 L C 2.008 178.830 176.870 -0.079 0.000 1.190 565 L CA -0.121 54.675 54.840 -0.072 0.000 0.869 565 L CB -0.103 41.897 42.059 -0.099 0.000 1.652 565 L HN 0.406 nan 8.230 nan 0.000 0.519 566 S N -0.612 115.027 115.700 -0.100 0.000 2.389 566 S HA -0.181 4.279 4.470 -0.017 0.000 0.229 566 S C -0.104 174.409 174.600 -0.146 0.000 1.048 566 S CA 1.431 59.562 58.200 -0.115 0.000 1.117 566 S CB -0.317 62.799 63.200 -0.140 0.000 1.020 566 S HN 0.557 nan 8.310 nan 0.000 0.430 567 D N 0.495 120.751 120.400 -0.239 0.000 2.217 567 D HA 0.543 5.173 4.640 -0.017 0.000 0.243 567 D C 0.572 176.789 176.300 -0.137 0.000 1.054 567 D CA -0.317 53.502 54.000 -0.302 0.000 0.838 567 D CB 1.022 41.287 40.800 -0.891 0.000 1.162 567 D HN 0.110 nan 8.370 nan 0.000 0.472 568 L N 2.209 123.441 121.223 0.014 0.000 2.656 568 L HA 0.308 4.638 4.340 -0.017 0.000 0.149 568 L C -1.335 175.540 176.870 0.007 0.000 1.500 568 L CA -1.043 53.811 54.840 0.024 0.000 2.484 568 L CB -1.030 41.070 42.059 0.067 0.000 2.776 568 L HN 0.241 nan 8.230 nan 0.000 0.674 569 P HA 0.042 nan 4.420 nan 0.000 0.235 569 P C -0.527 176.754 177.300 -0.031 0.000 1.765 569 P CA 0.119 63.161 63.100 -0.095 0.000 1.034 569 P CB -0.685 31.100 31.700 0.143 0.000 1.984 570 F N 2.708 122.497 119.950 -0.268 0.000 2.602 570 F HA 0.045 4.562 4.527 -0.017 0.000 0.367 570 F C 1.409 177.088 175.800 -0.201 0.000 1.126 570 F CA 0.682 58.592 58.000 -0.149 0.000 1.321 570 F CB 0.231 39.128 39.000 -0.171 0.000 1.094 570 F HN 0.296 nan 8.300 nan 0.000 0.594 571 H N 2.412 121.359 119.070 -0.206 0.000 2.538 571 H HA 0.418 4.964 4.556 -0.017 0.000 0.353 571 H C -0.689 174.554 175.328 -0.142 0.000 1.109 571 H CA -0.706 55.336 56.048 -0.009 0.000 1.192 571 H CB 2.047 31.966 29.762 0.262 0.000 1.555 571 H HN 0.426 nan 8.280 nan 0.000 0.518 572 T N 1.669 116.225 114.554 0.003 0.000 2.952 572 T HA 0.625 4.965 4.350 -0.017 0.000 0.305 572 T C -1.002 173.725 174.700 0.043 0.000 1.064 572 T CA -0.622 61.447 62.100 -0.053 0.000 1.008 572 T CB 1.900 70.736 68.868 -0.053 0.000 1.078 572 T HN 0.764 nan 8.240 nan 0.000 0.459 573 A N 3.239 126.070 122.820 0.019 0.000 2.572 573 A HA 0.867 5.177 4.320 -0.017 0.000 0.295 573 A C -1.272 176.274 177.584 -0.063 0.000 1.072 573 A CA -0.878 51.199 52.037 0.067 0.000 0.691 573 A CB 1.486 20.589 19.000 0.172 0.000 1.291 573 A HN 0.705 nan 8.150 nan 0.000 0.404 574 N N -0.285 118.434 118.700 0.032 0.000 2.262 574 N HA 0.723 5.452 4.740 -0.017 0.000 0.295 574 N C -0.673 174.874 175.510 0.062 0.000 1.161 574 N CA -0.341 52.742 53.050 0.056 0.000 0.767 574 N CB 2.565 41.123 38.487 0.118 0.000 1.499 574 N HN 1.047 nan 8.380 nan 0.000 0.476 575 G N -0.133 108.708 108.800 0.068 0.000 2.753 575 G HA2 0.535 4.485 3.960 -0.017 0.000 0.295 575 G HA3 0.535 4.485 3.960 -0.017 0.000 0.295 575 G C -1.420 173.580 174.900 0.166 0.000 1.437 575 G CA -0.210 44.958 45.100 0.115 0.000 1.094 575 G HN 0.308 nan 8.290 nan 0.000 0.540 576 T N 1.641 116.310 114.554 0.191 0.000 2.991 576 T HA 0.453 4.793 4.350 -0.017 0.000 0.303 576 T C -1.217 173.643 174.700 0.266 0.000 1.015 576 T CA -0.450 61.791 62.100 0.234 0.000 1.007 576 T CB 1.733 70.701 68.868 0.167 0.000 1.034 576 T HN 0.519 nan 8.240 nan 0.000 0.446 577 L N 3.749 125.168 121.223 0.327 0.000 2.280 577 L HA 0.539 4.868 4.340 -0.017 0.000 0.287 577 L C -0.933 176.166 176.870 0.380 0.000 1.023 577 L CA -0.221 54.833 54.840 0.356 0.000 0.819 577 L CB 0.833 43.103 42.059 0.352 0.000 1.212 577 L HN 0.519 nan 8.230 nan 0.000 0.420 578 D N 4.457 125.065 120.400 0.345 0.000 2.233 578 D HA 0.176 4.806 4.640 -0.017 0.000 0.240 578 D C -1.472 174.972 176.300 0.239 0.000 1.074 578 D CA 0.016 54.191 54.000 0.292 0.000 0.838 578 D CB 1.533 42.457 40.800 0.207 0.000 1.124 578 D HN 0.480 nan 8.370 nan 0.000 0.475 579 W N 3.169 124.395 121.300 -0.123 0.000 2.471 579 W HA 0.304 4.953 4.660 -0.017 0.000 0.318 579 W C -0.622 175.722 176.519 -0.292 0.000 1.034 579 W CA -1.073 55.965 57.345 -0.512 0.000 1.224 579 W CB 0.780 29.791 29.460 -0.749 0.000 1.335 579 W HN 0.124 nan 8.180 nan 0.000 0.452 580 K N 8.017 128.222 120.400 -0.326 0.000 2.679 580 K HA 0.226 4.536 4.320 -0.017 0.000 0.188 580 K C -2.374 173.984 176.600 -0.404 0.000 1.055 580 K CA -1.570 54.521 56.287 -0.328 0.000 1.006 580 K CB 1.249 33.684 32.500 -0.109 0.000 1.317 580 K HN 0.157 nan 8.250 nan 0.000 0.584 581 P HA -0.068 nan 4.420 nan 0.000 0.267 581 P C 1.094 178.286 177.300 -0.180 0.000 1.200 581 P CA -0.109 62.703 63.100 -0.479 0.000 0.772 581 P CB 0.672 31.911 31.700 -0.768 0.000 0.855 582 L N 1.469 122.670 121.223 -0.037 0.000 1.956 582 L HA -0.191 4.139 4.340 -0.017 0.000 0.216 582 L C 2.212 179.079 176.870 -0.005 0.000 1.073 582 L CA 2.475 57.320 54.840 0.008 0.000 0.762 582 L CB -1.958 40.136 42.059 0.058 0.000 0.889 582 L HN 0.278 nan 8.230 nan 0.000 0.433 583 A N 0.011 122.825 122.820 -0.009 0.000 2.016 583 A HA 0.231 4.541 4.320 -0.017 0.000 0.217 583 A C 1.518 179.099 177.584 -0.004 0.000 1.162 583 A CA 0.672 52.708 52.037 -0.002 0.000 0.662 583 A CB -0.644 18.355 19.000 -0.001 0.000 0.812 583 A HN 0.430 nan 8.150 nan 0.000 0.450 584 L N 1.312 122.510 121.223 -0.042 0.000 2.417 584 L HA 0.181 4.510 4.340 -0.017 0.000 0.258 584 L C 1.235 178.143 176.870 0.063 0.000 1.088 584 L CA -0.241 54.609 54.840 0.017 0.000 0.975 584 L CB 0.677 42.667 42.059 -0.114 0.000 1.341 584 L HN 0.533 nan 8.230 nan 0.000 0.431 585 E N -0.956 119.291 120.200 0.078 0.000 2.427 585 E HA -0.126 4.214 4.350 -0.017 0.000 0.196 585 E C -0.062 176.582 176.600 0.074 0.000 1.028 585 E CA 0.612 57.042 56.400 0.051 0.000 0.864 585 E CB 0.301 30.025 29.700 0.040 0.000 0.813 585 E HN 0.513 nan 8.360 nan 0.000 0.514 586 D N -0.233 120.256 120.400 0.148 0.000 2.369 586 D HA 0.094 4.724 4.640 -0.017 0.000 0.211 586 D C -0.654 175.708 176.300 0.104 0.000 1.077 586 D CA 0.177 54.248 54.000 0.118 0.000 0.842 586 D CB 0.061 40.963 40.800 0.169 0.000 0.947 586 D HN 0.169 nan 8.370 nan 0.000 0.509 587 W N 1.142 122.467 121.300 0.042 0.000 2.627 587 W HA 0.426 5.076 4.660 -0.017 0.000 0.339 587 W C 0.408 176.840 176.519 -0.145 0.000 1.058 587 W CA -0.397 56.923 57.345 -0.042 0.000 1.223 587 W CB 1.430 30.757 29.460 -0.222 0.000 1.389 587 W HN -0.303 nan 8.180 nan 0.000 0.541 588 S N 2.038 117.847 115.700 0.181 0.000 2.671 588 S HA 0.881 5.341 4.470 -0.017 0.000 0.277 588 S C -1.113 173.580 174.600 0.156 0.000 1.165 588 S CA -1.043 57.189 58.200 0.053 0.000 0.822 588 S CB 2.270 65.505 63.200 0.058 0.000 1.150 588 S HN 0.614 nan 8.310 nan 0.000 0.479 589 M N 1.207 120.912 119.600 0.175 0.000 2.562 589 M HA 0.590 5.060 4.480 -0.017 0.000 0.281 589 M C -2.456 174.059 176.300 0.359 0.000 1.195 589 M CA -0.615 54.839 55.300 0.258 0.000 0.888 589 M CB 2.166 34.921 32.600 0.258 0.000 1.731 589 M HN 1.082 nan 8.290 nan 0.000 0.493 590 Y N 0.635 121.069 120.300 0.224 0.000 2.625 590 Y HA 0.822 5.362 4.550 -0.017 0.000 0.338 590 Y C -1.984 174.055 175.900 0.232 0.000 1.123 590 Y CA -1.267 56.967 58.100 0.224 0.000 1.046 590 Y CB 1.803 40.380 38.460 0.195 0.000 1.299 590 Y HN 0.613 nan 8.280 nan 0.000 0.464 591 M N 3.462 123.275 119.600 0.354 0.000 2.327 591 M HA 0.523 4.993 4.480 -0.017 0.000 0.298 591 M C -1.219 175.368 176.300 0.478 0.000 1.065 591 M CA -0.444 55.043 55.300 0.312 0.000 0.916 591 M CB 2.408 35.163 32.600 0.258 0.000 1.630 591 M HN 1.005 nan 8.290 nan 0.000 0.442 592 S N 2.029 118.029 115.700 0.499 0.000 2.599 592 S HA 0.980 5.439 4.470 -0.017 0.000 0.287 592 S C -0.569 174.195 174.600 0.273 0.000 1.105 592 S CA -0.707 57.731 58.200 0.396 0.000 0.899 592 S CB 2.411 65.824 63.200 0.355 0.000 1.100 592 S HN 0.870 nan 8.310 nan 0.000 0.482 593 G N 0.417 109.199 108.800 -0.030 0.000 2.707 593 G HA2 0.552 4.502 3.960 -0.017 0.000 0.299 593 G HA3 0.552 4.502 3.960 -0.017 0.000 0.299 593 G C -1.849 172.904 174.900 -0.245 0.000 1.442 593 G CA -0.640 44.144 45.100 -0.528 0.000 1.009 593 G HN 0.903 nan 8.290 nan 0.000 0.515 594 H N 1.457 120.362 119.070 -0.276 0.000 2.504 594 H HA 0.550 5.096 4.556 -0.017 0.000 0.322 594 H C -1.482 173.726 175.328 -0.199 0.000 1.055 594 H CA -0.669 55.280 56.048 -0.165 0.000 1.231 594 H CB 1.152 30.853 29.762 -0.101 0.000 1.417 594 H HN 0.502 nan 8.280 nan 0.000 0.472 595 Y N 4.203 124.089 120.300 -0.691 0.000 2.330 595 Y HA 0.413 4.952 4.550 -0.017 0.000 0.336 595 Y C -0.870 174.617 175.900 -0.688 0.000 1.036 595 Y CA -0.551 57.206 58.100 -0.571 0.000 1.125 595 Y CB 1.220 39.466 38.460 -0.358 0.000 1.194 595 Y HN 0.655 nan 8.280 nan 0.000 0.469 596 T N 5.503 119.259 114.554 -1.330 0.000 2.812 596 T HA 0.559 4.899 4.350 -0.017 0.000 0.282 596 T C 0.315 174.175 174.700 -1.401 0.000 0.990 596 T CA -0.469 60.942 62.100 -1.148 0.000 0.960 596 T CB 1.277 69.650 68.868 -0.826 0.000 0.948 596 T HN 0.957 nan 8.240 nan 0.000 0.438 597 G N 1.854 109.981 108.800 -1.122 0.000 2.535 597 G HA2 0.467 4.417 3.960 -0.017 0.000 0.282 597 G HA3 0.467 4.417 3.960 -0.017 0.000 0.282 597 G C 0.069 174.627 174.900 -0.570 0.000 1.350 597 G CA -0.747 43.898 45.100 -0.759 0.000 1.039 597 G HN 0.767 nan 8.290 nan 0.000 0.509 598 Q N -0.480 119.152 119.800 -0.279 0.000 2.454 598 Q HA 0.300 4.630 4.340 -0.017 0.000 0.247 598 Q C -0.711 175.265 176.000 -0.039 0.000 1.028 598 Q CA 0.348 56.086 55.803 -0.108 0.000 0.910 598 Q CB 1.003 29.732 28.738 -0.014 0.000 1.276 598 Q HN 0.381 nan 8.270 nan 0.000 0.489 611 G N -1.464 107.372 108.800 0.060 0.000 3.119 611 G HA2 0.770 4.719 3.960 -0.017 0.000 0.206 611 G HA3 0.770 4.719 3.960 -0.017 0.000 0.206 611 G C -1.133 173.820 174.900 0.089 0.000 1.313 611 G CA -0.119 44.950 45.100 -0.051 0.000 1.010 611 G HN 1.455 nan 8.290 nan 0.000 0.578 612 Y N -2.172 118.011 120.300 -0.195 0.000 2.576 612 Y HA 0.779 5.319 4.550 -0.017 0.000 0.346 612 Y C -0.721 175.155 175.900 -0.040 0.000 1.018 612 Y CA -1.258 56.822 58.100 -0.033 0.000 1.050 612 Y CB 1.634 40.080 38.460 -0.024 0.000 1.280 612 Y HN 0.406 nan 8.280 nan 0.000 0.474 613 T N 4.670 119.331 114.554 0.178 0.000 2.815 613 T HA 0.455 4.795 4.350 -0.017 0.000 0.289 613 T C -0.654 174.015 174.700 -0.052 0.000 1.000 613 T CA -0.525 61.557 62.100 -0.029 0.000 0.958 613 T CB 0.776 69.620 68.868 -0.040 0.000 0.944 613 T HN 0.464 nan 8.240 nan 0.000 0.442 614 I N 2.857 123.370 120.570 -0.095 0.000 2.395 614 I HA 0.333 4.493 4.170 -0.017 0.000 0.289 614 I C -0.411 175.566 176.117 -0.234 0.000 1.023 614 I CA -1.278 60.023 61.300 0.002 0.000 1.350 614 I CB 0.528 38.606 38.000 0.130 0.000 1.409 614 I HN 0.685 nan 8.210 nan 0.000 0.507 615 W N 5.668 127.054 121.300 0.143 0.000 2.551 615 W HA 0.457 5.107 4.660 -0.017 0.000 0.330 615 W C 0.151 176.741 176.519 0.119 0.000 1.063 615 W CA -0.407 57.013 57.345 0.126 0.000 1.222 615 W CB 0.992 30.508 29.460 0.093 0.000 1.349 615 W HN 0.366 nan 8.180 nan 0.000 0.536 616 N N 1.067 119.991 118.700 0.372 0.000 2.321 616 N HA 0.557 5.287 4.740 -0.017 0.000 0.290 616 N C -1.364 174.278 175.510 0.220 0.000 1.212 616 N CA -0.683 52.538 53.050 0.286 0.000 0.767 616 N CB 2.302 40.984 38.487 0.325 0.000 1.494 616 N HN 0.272 nan 8.380 nan 0.000 0.479 617 T N -0.997 113.584 114.554 0.046 0.000 2.889 617 T HA 0.780 5.120 4.350 -0.017 0.000 0.315 617 T C -1.000 173.471 174.700 -0.382 0.000 1.291 617 T CA -0.507 61.438 62.100 -0.259 0.000 1.028 617 T CB 1.534 70.336 68.868 -0.111 0.000 1.235 617 T HN 0.693 nan 8.240 nan 0.000 0.491 618 G N 0.708 109.059 108.800 -0.748 0.000 2.576 618 G HA2 0.802 4.752 3.960 -0.017 0.000 0.290 618 G HA3 0.802 4.752 3.960 -0.017 0.000 0.290 618 G C -1.667 173.191 174.900 -0.070 0.000 1.442 618 G CA -0.062 44.872 45.100 -0.277 0.000 0.792 618 G HN 1.091 nan 8.290 nan 0.000 0.491 619 A N -1.090 121.834 122.820 0.174 0.000 2.539 619 A HA 1.013 5.322 4.320 -0.017 0.000 0.296 619 A C -0.436 177.323 177.584 0.292 0.000 1.073 619 A CA 0.015 52.210 52.037 0.264 0.000 0.700 619 A CB 1.679 20.854 19.000 0.291 0.000 1.296 619 A HN 2.366 nan 8.150 nan 0.000 0.405 620 A N 0.414 123.387 122.820 0.254 0.000 2.343 620 A HA 0.680 4.990 4.320 -0.017 0.000 0.316 620 A C -1.542 176.053 177.584 0.018 0.000 1.104 620 A CA -0.255 51.869 52.037 0.144 0.000 0.768 620 A CB 0.761 19.834 19.000 0.123 0.000 1.213 620 A HN 1.507 nan 8.150 nan 0.000 0.456 621 W N 2.858 123.901 121.300 -0.428 0.000 2.499 621 W HA 0.532 5.181 4.660 -0.017 0.000 0.320 621 W C -0.373 175.854 176.519 -0.487 0.000 1.010 621 W CA -1.055 55.777 57.345 -0.855 0.000 1.267 621 W CB 1.580 30.080 29.460 -1.601 0.000 1.316 621 W HN 0.653 nan 8.180 nan 0.000 0.431 622 Q N 4.799 124.391 119.800 -0.346 0.000 2.815 622 Q HA 0.086 4.416 4.340 -0.017 0.000 0.235 622 Q C 1.049 176.652 176.000 -0.661 0.000 1.354 622 Q CA 0.252 55.827 55.803 -0.380 0.000 0.953 622 Q CB 0.435 29.066 28.738 -0.179 0.000 1.613 622 Q HN 0.591 nan 8.270 nan 0.000 0.572 623 V N 2.315 121.570 119.914 -1.097 0.000 2.332 623 V HA -0.133 3.977 4.120 -0.017 0.000 0.248 623 V C 0.803 176.542 176.094 -0.591 0.000 1.055 623 V CA 2.268 63.737 62.300 -1.385 0.000 1.038 623 V CB -0.114 30.825 31.823 -1.474 0.000 0.651 623 V HN 0.868 nan 8.190 nan 0.000 0.450 624 T N -3.515 110.811 114.554 -0.380 0.000 2.864 624 T HA 0.373 4.713 4.350 -0.017 0.000 0.289 624 T C 0.768 175.381 174.700 -0.145 0.000 1.082 624 T CA -0.175 61.808 62.100 -0.195 0.000 1.009 624 T CB 1.681 70.473 68.868 -0.127 0.000 1.234 624 T HN 0.430 nan 8.240 nan 0.000 0.526 625 K N 0.651 121.001 120.400 -0.085 0.000 2.074 625 K HA -0.155 4.154 4.320 -0.017 0.000 0.209 625 K C 0.718 177.270 176.600 -0.080 0.000 1.048 625 K CA 2.373 58.620 56.287 -0.067 0.000 0.926 625 K CB -0.665 31.813 32.500 -0.036 0.000 0.713 625 K HN 0.765 nan 8.250 nan 0.000 0.444 626 D N -0.422 119.938 120.400 -0.067 0.000 2.535 626 D HA 0.146 4.776 4.640 -0.017 0.000 0.229 626 D C -0.761 175.507 176.300 -0.054 0.000 1.238 626 D CA -0.568 53.375 54.000 -0.096 0.000 0.824 626 D CB 0.778 41.509 40.800 -0.114 0.000 1.045 626 D HN -0.002 nan 8.370 nan 0.000 0.500 627 V N 0.497 120.378 119.914 -0.055 0.000 2.577 627 V HA 0.400 4.509 4.120 -0.017 0.000 0.303 627 V C -0.580 175.425 176.094 -0.149 0.000 1.042 627 V CA -0.947 61.328 62.300 -0.041 0.000 0.872 627 V CB 2.107 33.918 31.823 -0.020 0.000 0.998 627 V HN 0.121 nan 8.190 nan 0.000 0.423 628 K N 4.988 125.322 120.400 -0.109 0.000 2.324 628 K HA 0.750 5.060 4.320 -0.017 0.000 0.253 628 K C -1.684 174.862 176.600 -0.090 0.000 0.932 628 K CA -0.675 55.528 56.287 -0.140 0.000 0.799 628 K CB 1.819 34.265 32.500 -0.091 0.000 1.154 628 K HN 0.619 nan 8.250 nan 0.000 0.425 629 L N 4.018 125.173 121.223 -0.113 0.000 2.334 629 L HA 0.607 4.937 4.340 -0.017 0.000 0.276 629 L C -0.158 176.755 176.870 0.071 0.000 1.014 629 L CA -0.949 53.885 54.840 -0.010 0.000 0.815 629 L CB 1.837 43.891 42.059 -0.009 0.000 1.268 629 L HN 0.558 nan 8.230 nan 0.000 0.428 630 R N 1.891 122.482 120.500 0.152 0.000 2.621 630 R HA 0.875 5.205 4.340 -0.017 0.000 0.284 630 R C -1.299 175.182 176.300 0.303 0.000 0.998 630 R CA -0.671 55.589 56.100 0.267 0.000 0.895 630 R CB 2.486 32.983 30.300 0.329 0.000 1.195 630 R HN 0.763 nan 8.270 nan 0.000 0.450 631 A N 1.044 123.975 122.820 0.185 0.000 2.572 631 A HA 0.932 5.242 4.320 -0.017 0.000 0.295 631 A C -1.026 176.141 177.584 -0.694 0.000 1.072 631 A CA -0.434 51.477 52.037 -0.211 0.000 0.691 631 A CB 2.305 21.273 19.000 -0.054 0.000 1.291 631 A HN 0.825 nan 8.150 nan 0.000 0.404 632 G N -1.135 106.873 108.800 -1.320 0.000 2.390 632 G HA2 0.612 4.562 3.960 -0.017 0.000 0.294 632 G HA3 0.612 4.562 3.960 -0.017 0.000 0.294 632 G C -1.848 172.692 174.900 -0.601 0.000 1.388 632 G CA 0.014 44.535 45.100 -0.965 0.000 0.804 632 G HN 1.439 nan 8.290 nan 0.000 0.505 633 V N 0.412 120.189 119.914 -0.229 0.000 2.495 633 V HA 0.658 4.768 4.120 -0.017 0.000 0.298 633 V C -0.064 176.024 176.094 -0.010 0.000 1.031 633 V CA -0.652 61.540 62.300 -0.179 0.000 0.871 633 V CB 1.277 33.012 31.823 -0.146 0.000 0.988 633 V HN 0.642 nan 8.190 nan 0.000 0.432 634 L N 3.598 124.823 121.223 0.002 0.000 2.317 634 L HA 0.604 4.934 4.340 -0.017 0.000 0.281 634 L C 0.526 177.416 176.870 0.033 0.000 1.024 634 L CA -0.624 54.276 54.840 0.101 0.000 0.810 634 L CB 1.187 43.338 42.059 0.154 0.000 1.240 634 L HN 0.779 nan 8.230 nan 0.000 0.427 635 N N 1.926 120.685 118.700 0.098 0.000 2.648 635 N HA -0.198 4.532 4.740 -0.017 0.000 0.265 635 N C 0.306 175.866 175.510 0.083 0.000 1.100 635 N CA 0.256 53.370 53.050 0.106 0.000 0.715 635 N CB -0.343 38.190 38.487 0.077 0.000 0.881 635 N HN 0.668 nan 8.380 nan 0.000 0.548 636 L N 0.932 122.239 121.223 0.140 0.000 2.081 636 L HA 0.029 4.359 4.340 -0.017 0.000 0.212 636 L C 2.225 179.149 176.870 0.090 0.000 1.080 636 L CA 2.697 57.596 54.840 0.099 0.000 0.754 636 L CB -0.600 41.544 42.059 0.142 0.000 0.893 636 L HN 0.570 nan 8.230 nan 0.000 0.433 637 G N -2.219 106.676 108.800 0.158 0.000 2.880 637 G HA2 -0.123 3.827 3.960 -0.017 0.000 0.209 637 G HA3 -0.123 3.827 3.960 -0.017 0.000 0.209 637 G C 0.351 175.310 174.900 0.100 0.000 1.157 637 G CA 0.557 45.735 45.100 0.130 0.000 0.779 637 G HN 0.490 nan 8.290 nan 0.000 0.539 638 D N -0.664 119.788 120.400 0.086 0.000 2.699 638 D HA -0.171 4.458 4.640 -0.017 0.000 0.239 638 D C 0.380 176.732 176.300 0.087 0.000 1.136 638 D CA 0.631 54.673 54.000 0.071 0.000 0.668 638 D CB -1.183 39.649 40.800 0.053 0.000 1.060 638 D HN 0.379 nan 8.370 nan 0.000 0.429 639 K N 1.691 122.145 120.400 0.090 0.000 2.378 639 K HA 0.203 4.513 4.320 -0.017 0.000 0.288 639 K C -0.513 176.085 176.600 -0.003 0.000 1.057 639 K CA -0.193 56.124 56.287 0.051 0.000 0.971 639 K CB 0.432 32.979 32.500 0.078 0.000 0.975 639 K HN 0.239 nan 8.250 nan 0.000 0.475 640 D N 5.036 125.426 120.400 -0.017 0.000 2.498 640 D HA 0.274 4.904 4.640 -0.017 0.000 0.247 640 D C 0.173 176.420 176.300 -0.088 0.000 1.070 640 D CA -0.706 53.265 54.000 -0.048 0.000 0.842 640 D CB 1.205 42.003 40.800 -0.003 0.000 1.361 640 D HN 0.387 nan 8.370 nan 0.000 0.484 641 L N 0.112 121.257 121.223 -0.130 0.000 2.694 641 L HA 0.690 5.020 4.340 -0.017 0.000 0.198 641 L C 1.089 177.914 176.870 -0.076 0.000 1.903 641 L CA -0.458 54.300 54.840 -0.137 0.000 2.945 641 L CB -0.325 41.587 42.059 -0.245 0.000 2.882 641 L HN 0.562 nan 8.230 nan 0.000 0.702 642 S N -2.807 112.854 115.700 -0.064 0.000 2.323 642 S HA 0.215 4.675 4.470 -0.017 0.000 0.233 642 S C 1.157 175.746 174.600 -0.018 0.000 0.898 642 S CA 0.135 58.316 58.200 -0.032 0.000 1.321 642 S CB -0.661 62.526 63.200 -0.022 0.000 0.921 642 S HN 0.784 nan 8.310 nan 0.000 0.398 650 E N -0.111 120.103 120.200 0.024 0.000 7.832 650 E HA -0.104 4.236 4.350 -0.017 0.000 0.464 650 E C -1.343 175.280 176.600 0.039 0.000 0.594 650 E CA 0.650 57.071 56.400 0.035 0.000 1.043 650 E CB -0.218 29.489 29.700 0.011 0.000 0.978 650 E HN 0.932 nan 8.360 nan 0.000 0.263 651 D N 1.423 121.857 120.400 0.055 0.000 2.264 651 D HA 0.571 5.201 4.640 -0.017 0.000 0.249 651 D C 0.713 177.053 176.300 0.066 0.000 1.070 651 D CA 0.563 54.600 54.000 0.062 0.000 0.912 651 D CB 1.042 41.878 40.800 0.059 0.000 1.193 651 D HN 0.486 nan 8.370 nan 0.000 0.427 652 G N 0.638 109.492 108.800 0.089 0.000 2.588 652 G HA2 0.155 4.105 3.960 -0.017 0.000 0.278 652 G HA3 0.155 4.105 3.960 -0.017 0.000 0.278 652 G C -0.106 174.786 174.900 -0.012 0.000 1.307 652 G CA -0.676 44.480 45.100 0.092 0.000 1.016 652 G HN 0.352 nan 8.290 nan 0.000 0.503 653 R N 0.191 120.634 120.500 -0.096 0.000 2.486 653 R HA 0.072 4.402 4.340 -0.017 0.000 0.303 653 R C 0.080 176.208 176.300 -0.286 0.000 0.958 653 R CA 0.761 56.732 56.100 -0.215 0.000 1.077 653 R CB 0.242 30.385 30.300 -0.261 0.000 0.921 653 R HN 0.405 nan 8.270 nan 0.000 0.406 654 R N 2.336 122.640 120.500 -0.328 0.000 2.803 654 R HA 0.376 4.705 4.340 -0.017 0.000 0.276 654 R C -1.186 174.814 176.300 -0.500 0.000 0.978 654 R CA -0.742 55.205 56.100 -0.256 0.000 0.939 654 R CB 1.555 31.826 30.300 -0.047 0.000 1.179 654 R HN 0.436 nan 8.270 nan 0.000 0.472 655 Y N 1.705 122.015 120.300 0.018 0.000 2.341 655 Y HA 0.363 4.903 4.550 -0.017 0.000 0.338 655 Y C -0.364 175.560 175.900 0.040 0.000 0.965 655 Y CA -0.967 57.116 58.100 -0.029 0.000 1.108 655 Y CB 1.236 39.661 38.460 -0.057 0.000 1.180 655 Y HN 0.467 nan 8.280 nan 0.000 0.458 656 F N 1.316 121.352 119.950 0.144 0.000 2.492 656 F HA 0.912 5.429 4.527 -0.017 0.000 0.327 656 F C -1.017 174.851 175.800 0.112 0.000 1.079 656 F CA -1.285 56.774 58.000 0.098 0.000 0.967 656 F CB 1.453 40.498 39.000 0.074 0.000 1.169 656 F HN 0.322 nan 8.300 nan 0.000 0.472 657 M N 3.463 123.285 119.600 0.370 0.000 2.324 657 M HA 0.696 5.166 4.480 -0.017 0.000 0.288 657 M C -1.403 175.057 176.300 0.266 0.000 1.097 657 M CA -0.650 54.805 55.300 0.258 0.000 0.928 657 M CB 2.534 35.223 32.600 0.148 0.000 1.648 657 M HN 0.969 nan 8.290 nan 0.000 0.460 658 A N 2.919 125.886 122.820 0.245 0.000 2.422 658 A HA 0.867 5.177 4.320 -0.017 0.000 0.302 658 A C -1.491 176.168 177.584 0.125 0.000 1.041 658 A CA -0.651 51.491 52.037 0.174 0.000 0.708 658 A CB 1.587 20.686 19.000 0.164 0.000 1.257 658 A HN 0.554 nan 8.150 nan 0.000 0.414 659 V N 2.105 122.078 119.914 0.099 0.000 2.444 659 V HA 0.440 4.549 4.120 -0.017 0.000 0.294 659 V C -1.223 174.921 176.094 0.084 0.000 1.022 659 V CA -0.568 61.778 62.300 0.076 0.000 0.850 659 V CB 1.608 33.472 31.823 0.069 0.000 0.992 659 V HN 0.902 nan 8.190 nan 0.000 0.426 660 D N 3.319 123.759 120.400 0.066 0.000 2.381 660 D HA 0.406 5.036 4.640 -0.017 0.000 0.235 660 D C -0.923 175.443 176.300 0.111 0.000 1.068 660 D CA -0.249 53.797 54.000 0.076 0.000 0.832 660 D CB 1.539 42.353 40.800 0.023 0.000 1.101 660 D HN 0.566 nan 8.370 nan 0.000 0.515 661 Y N 2.412 122.738 120.300 0.043 0.000 2.320 661 Y HA 0.431 4.971 4.550 -0.017 0.000 0.334 661 Y C -0.216 175.742 175.900 0.096 0.000 1.055 661 Y CA -0.564 57.574 58.100 0.063 0.000 1.143 661 Y CB 0.703 39.214 38.460 0.086 0.000 1.193 661 Y HN 0.217 nan 8.280 nan 0.000 0.477 662 R N 5.763 125.880 120.500 -0.637 0.000 2.787 662 R HA 0.582 4.911 4.340 -0.017 0.000 0.271 662 R C -1.432 174.478 176.300 -0.649 0.000 0.993 662 R CA -0.726 55.054 56.100 -0.532 0.000 0.993 662 R CB 1.685 31.806 30.300 -0.297 0.000 1.155 662 R HN 0.784 nan 8.270 nan 0.000 0.486 663 F N 0.000 119.722 119.950 -0.380 0.000 2.286 663 F HA 0.000 4.517 4.527 -0.017 0.000 0.279 663 F CA 0.000 57.881 58.000 -0.198 0.000 1.383 663 F CB 0.000 38.944 39.000 -0.094 0.000 1.145 663 F HN 0.000 nan 8.300 nan 0.000 0.574