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 3ofn_1_K DATA FIRST_RESID 21 DATA SEQUENCE VSDEANLNET GRVLAVGDGI ARVFGLNNIQ AEELVEFSSG VKGMALILEP DATA SEQUENCE GQVGIVLFGS DRLVKEGELV KRTGNIVDVP VGPGLLGRVV DALGNPIDGK DATA SEQUENCE GPIDAAGRSR AQVKAPGILP RRSVHEPVQT GLKAVDALVP IGRGQRELII DATA SEQUENCE GDRQTGKTAV ALDTILNQKR WNNGSDESKK LYCVYVAVGQ KRSTVAQLVQ DATA SEQUENCE TLEQHDAMKY SIIVAATASE AAPLQYLAPF TAASIGEWFR DNGKHALIVY DATA SEQUENCE DDLSKQAVAY RQLSLLLRRP PGREAYPGDV FYLHSRLLER AAKLSEKEGS DATA SEQUENCE GSLTALPVIE TQGGDVSAYI PTNVISITDG QIFLEAELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QVKALKQVAG SLKLFLAQYR EVAAFAQXXX XLDASTKQTL DATA SEQUENCE VRGERLTQLL KQNQYSPLAT EEQVPLIYAG VNGHLDGIEL SRIGEFESSF DATA SEQUENCE LSYLKSNHNE LLTEIREKGE LSKELLASLK SATESFV 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 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 176.119 176.094 0.042 0.000 1.182 21 V CA 0.000 62.319 62.300 0.032 0.000 1.235 21 V CB 0.000 31.844 31.823 0.034 0.000 1.184 22 S N 1.465 117.189 115.700 0.040 0.000 2.279 22 S HA 0.796 5.266 4.470 -0.000 0.000 0.176 22 S C -1.068 173.567 174.600 0.057 0.000 1.554 22 S CA -0.427 57.797 58.200 0.040 0.000 1.242 22 S CB 1.217 64.423 63.200 0.010 0.000 1.163 22 S HN 0.907 nan 8.310 nan 0.000 0.449 23 D N 0.700 121.166 120.400 0.110 0.000 2.721 23 D HA 0.090 4.730 4.640 -0.000 0.000 0.221 23 D C 0.247 176.657 176.300 0.184 0.000 1.208 23 D CA -0.323 53.757 54.000 0.134 0.000 0.755 23 D CB 1.739 42.585 40.800 0.076 0.000 1.732 23 D HN 0.417 nan 8.370 nan 0.000 0.490 24 E N 1.838 122.180 120.200 0.237 0.000 2.072 24 E HA -0.104 4.245 4.350 -0.000 0.000 0.191 24 E C 1.795 178.406 176.600 0.019 0.000 0.985 24 E CA 1.209 57.682 56.400 0.121 0.000 0.801 24 E CB 0.123 29.862 29.700 0.065 0.000 0.750 24 E HN 0.492 nan 8.360 nan 0.000 0.452 25 A N 1.449 124.290 122.820 0.036 0.000 1.986 25 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 25 A C 1.712 179.301 177.584 0.008 0.000 1.171 25 A CA 1.627 53.672 52.037 0.013 0.000 0.640 25 A CB -0.406 18.606 19.000 0.020 0.000 0.811 25 A HN 0.275 nan 8.150 nan 0.000 0.451 26 N N -0.644 118.069 118.700 0.022 0.000 2.353 26 N HA 0.118 4.857 4.740 -0.000 0.000 0.185 26 N C -0.097 175.421 175.510 0.014 0.000 1.098 26 N CA 0.164 53.224 53.050 0.018 0.000 0.872 26 N CB 0.213 38.716 38.487 0.026 0.000 0.970 26 N HN 0.397 nan 8.380 nan 0.000 0.467 27 L N 1.958 123.188 121.223 0.011 0.000 2.389 27 L HA 0.229 4.569 4.340 -0.000 0.000 0.265 27 L C 0.830 177.677 176.870 -0.038 0.000 1.167 27 L CA -0.162 54.678 54.840 -0.001 0.000 1.045 27 L CB 0.054 42.127 42.059 0.022 0.000 1.351 27 L HN 0.043 nan 8.230 nan 0.000 0.419 28 N N 0.626 119.310 118.700 -0.028 0.000 2.684 28 N HA -0.046 4.694 4.740 -0.000 0.000 0.220 28 N C 1.068 176.557 175.510 -0.035 0.000 1.037 28 N CA 0.265 53.293 53.050 -0.036 0.000 0.975 28 N CB 0.609 39.080 38.487 -0.026 0.000 1.426 28 N HN 0.382 nan 8.380 nan 0.000 0.450 29 E N 0.484 120.668 120.200 -0.026 0.000 2.442 29 E HA 0.167 4.517 4.350 -0.000 0.000 0.195 29 E C -0.425 176.154 176.600 -0.035 0.000 1.030 29 E CA 0.457 56.840 56.400 -0.028 0.000 0.869 29 E CB 0.447 30.136 29.700 -0.020 0.000 0.857 29 E HN 0.035 nan 8.360 nan 0.000 0.505 30 T N -1.122 113.415 114.554 -0.029 0.000 2.906 30 T HA 0.756 5.106 4.350 -0.000 0.000 0.295 30 T C -0.476 174.214 174.700 -0.015 0.000 1.075 30 T CA -0.350 61.735 62.100 -0.025 0.000 1.005 30 T CB 1.739 70.604 68.868 -0.006 0.000 1.136 30 T HN 0.119 nan 8.240 nan 0.000 0.498 31 G N 1.205 109.999 108.800 -0.011 0.000 2.642 31 G HA2 0.684 4.644 3.960 -0.000 0.000 0.293 31 G HA3 0.684 4.644 3.960 -0.000 0.000 0.293 31 G C -1.503 173.444 174.900 0.079 0.000 1.341 31 G CA -0.736 44.384 45.100 0.033 0.000 0.916 31 G HN 0.500 nan 8.290 nan 0.000 0.474 32 R N 0.524 121.112 120.500 0.147 0.000 2.437 32 R HA 0.382 4.722 4.340 -0.000 0.000 0.310 32 R C -0.627 175.769 176.300 0.159 0.000 0.955 32 R CA -0.638 55.547 56.100 0.142 0.000 0.851 32 R CB 2.036 32.414 30.300 0.130 0.000 1.161 32 R HN 0.326 nan 8.270 nan 0.000 0.446 33 V N 5.624 125.630 119.914 0.154 0.000 2.446 33 V HA 0.009 4.129 4.120 -0.000 0.000 0.276 33 V C 1.944 178.100 176.094 0.103 0.000 1.030 33 V CA 0.179 62.577 62.300 0.162 0.000 1.033 33 V CB 0.401 32.334 31.823 0.183 0.000 0.993 33 V HN 0.737 nan 8.190 nan 0.000 0.477 34 L N 3.735 125.019 121.223 0.102 0.000 2.068 34 L HA 0.295 4.635 4.340 -0.000 0.000 0.204 34 L C 1.046 177.939 176.870 0.037 0.000 1.076 34 L CA 1.455 56.331 54.840 0.060 0.000 0.753 34 L CB 0.035 42.142 42.059 0.080 0.000 0.910 34 L HN 0.822 nan 8.230 nan 0.000 0.439 35 A N -1.206 121.640 122.820 0.044 0.000 2.604 35 A HA 0.616 4.936 4.320 -0.000 0.000 0.295 35 A C -1.705 175.890 177.584 0.017 0.000 1.067 35 A CA -0.357 51.693 52.037 0.022 0.000 0.683 35 A CB 1.905 20.914 19.000 0.015 0.000 1.281 35 A HN -0.190 nan 8.150 nan 0.000 0.407 36 V N 0.332 120.244 119.914 -0.004 0.000 2.971 36 V HA 0.972 5.092 4.120 -0.000 0.000 0.309 36 V C -0.103 175.972 176.094 -0.031 0.000 1.130 36 V CA 0.795 63.081 62.300 -0.024 0.000 0.964 36 V CB 2.076 33.866 31.823 -0.055 0.000 1.029 36 V HN 2.537 nan 8.190 nan 0.000 0.427 37 G N 2.915 111.692 108.800 -0.038 0.000 2.340 37 G HA2 0.475 4.435 3.960 -0.000 0.000 0.298 37 G HA3 0.475 4.435 3.960 -0.000 0.000 0.298 37 G C -0.903 173.973 174.900 -0.041 0.000 1.498 37 G CA 0.124 45.202 45.100 -0.037 0.000 0.847 37 G HN 0.992 nan 8.290 nan 0.000 0.594 38 D N -0.948 119.427 120.400 -0.041 0.000 2.751 38 D HA -0.115 4.525 4.640 -0.000 0.000 0.233 38 D C 1.737 178.004 176.300 -0.055 0.000 1.149 38 D CA 3.115 57.088 54.000 -0.044 0.000 0.682 38 D CB -1.201 39.573 40.800 -0.042 0.000 1.068 38 D HN 2.277 nan 8.370 nan 0.000 0.429 39 G N -1.551 107.213 108.800 -0.059 0.000 2.189 39 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.267 39 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.267 39 G C 0.356 175.208 174.900 -0.079 0.000 0.975 39 G CA 0.618 45.675 45.100 -0.072 0.000 0.644 39 G HN 0.517 nan 8.290 nan 0.000 0.537 40 I N 0.433 120.965 120.570 -0.063 0.000 2.607 40 I HA 0.811 4.981 4.170 -0.000 0.000 0.305 40 I C 0.415 176.518 176.117 -0.024 0.000 0.995 40 I CA -1.083 60.191 61.300 -0.043 0.000 1.148 40 I CB 1.449 39.427 38.000 -0.036 0.000 1.323 40 I HN 0.494 nan 8.210 nan 0.000 0.461 41 A N 5.000 127.833 122.820 0.022 0.000 2.359 41 A HA 0.663 4.983 4.320 -0.000 0.000 0.303 41 A C -0.346 177.293 177.584 0.092 0.000 1.066 41 A CA -0.734 51.336 52.037 0.056 0.000 0.730 41 A CB 1.142 20.194 19.000 0.087 0.000 1.211 41 A HN 0.709 nan 8.150 nan 0.000 0.439 42 R N 1.203 121.747 120.500 0.074 0.000 2.265 42 R HA 0.536 4.875 4.340 -0.000 0.000 0.314 42 R C -0.951 175.418 176.300 0.115 0.000 1.053 42 R CA -0.057 56.091 56.100 0.080 0.000 0.931 42 R CB 1.176 31.512 30.300 0.060 0.000 1.024 42 R HN 0.488 nan 8.270 nan 0.000 0.457 43 V N 4.430 124.416 119.914 0.120 0.000 2.735 43 V HA 0.381 4.501 4.120 -0.000 0.000 0.310 43 V C -0.784 175.406 176.094 0.160 0.000 1.061 43 V CA -0.891 61.495 62.300 0.143 0.000 0.913 43 V CB 1.860 33.752 31.823 0.115 0.000 1.005 43 V HN 0.543 nan 8.190 nan 0.000 0.428 44 F N 2.883 122.847 119.950 0.024 0.000 2.422 44 F HA 0.775 5.302 4.527 -0.000 0.000 0.333 44 F C 0.873 176.677 175.800 0.006 0.000 1.095 44 F CA 1.270 59.279 58.000 0.014 0.000 1.038 44 F CB 1.352 40.361 39.000 0.015 0.000 1.156 44 F HN 0.928 nan 8.300 nan 0.000 0.483 45 G N 4.110 112.578 108.800 -0.553 0.000 2.509 45 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.256 45 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.256 45 G C 0.201 174.998 174.900 -0.171 0.000 1.152 45 G CA -0.295 44.603 45.100 -0.336 0.000 0.951 45 G HN 1.404 nan 8.290 nan 0.000 0.559 46 L N -0.033 121.133 121.223 -0.095 0.000 3.739 46 L HA -0.226 4.114 4.340 -0.000 0.000 0.442 46 L C 1.670 178.492 176.870 -0.080 0.000 1.241 46 L CA 0.568 55.363 54.840 -0.075 0.000 0.819 46 L CB -1.258 40.761 42.059 -0.067 0.000 1.679 46 L HN 0.656 nan 8.230 nan 0.000 0.889 47 N N 0.291 118.937 118.700 -0.090 0.000 2.149 47 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 47 N C 1.205 176.680 175.510 -0.057 0.000 1.019 47 N CA 1.525 54.524 53.050 -0.086 0.000 0.857 47 N CB -0.137 38.298 38.487 -0.087 0.000 0.997 47 N HN 0.541 nan 8.380 nan 0.000 0.426 48 N N 0.680 119.353 118.700 -0.046 0.000 2.314 48 N HA 0.094 4.834 4.740 -0.000 0.000 0.200 48 N C 0.130 175.623 175.510 -0.029 0.000 1.135 48 N CA -0.088 52.943 53.050 -0.033 0.000 0.835 48 N CB 0.502 38.973 38.487 -0.027 0.000 0.989 48 N HN 0.330 nan 8.380 nan 0.000 0.478 49 I N 1.408 121.958 120.570 -0.033 0.000 2.496 49 I HA -0.027 4.143 4.170 -0.000 0.000 0.285 49 I C 0.207 176.314 176.117 -0.017 0.000 1.080 49 I CA -0.360 60.924 61.300 -0.026 0.000 1.404 49 I CB 0.651 38.632 38.000 -0.032 0.000 1.403 49 I HN -0.005 nan 8.210 nan 0.000 0.539 50 Q N 5.550 125.345 119.800 -0.008 0.000 2.354 50 Q HA 0.418 4.758 4.340 -0.000 0.000 0.244 50 Q C -0.101 175.902 176.000 0.006 0.000 0.969 50 Q CA -0.684 55.119 55.803 -0.001 0.000 0.885 50 Q CB 1.016 29.756 28.738 0.004 0.000 1.241 50 Q HN 0.778 nan 8.270 nan 0.000 0.461 51 A N 1.804 124.630 122.820 0.009 0.000 2.440 51 A HA 0.152 4.472 4.320 -0.000 0.000 0.251 51 A C 0.303 177.904 177.584 0.029 0.000 1.089 51 A CA 0.122 52.169 52.037 0.017 0.000 0.779 51 A CB 0.048 19.057 19.000 0.016 0.000 1.022 51 A HN 1.014 nan 8.150 nan 0.000 0.492 52 E N -0.658 119.567 120.200 0.042 0.000 3.763 52 E HA -0.184 4.166 4.350 -0.000 0.000 0.319 52 E C 0.094 176.735 176.600 0.068 0.000 0.804 52 E CA 1.270 57.707 56.400 0.062 0.000 1.196 52 E CB -1.229 28.502 29.700 0.051 0.000 1.607 52 E HN 0.904 nan 8.360 nan 0.000 0.431 53 E N 0.736 120.968 120.200 0.052 0.000 2.316 53 E HA 0.229 4.579 4.350 -0.000 0.000 0.275 53 E C -0.320 176.323 176.600 0.072 0.000 1.029 53 E CA -0.406 56.021 56.400 0.046 0.000 0.871 53 E CB 0.608 30.320 29.700 0.020 0.000 1.022 53 E HN 0.128 nan 8.360 nan 0.000 0.418 54 L N 5.376 126.644 121.223 0.075 0.000 2.456 54 L HA 0.146 4.486 4.340 -0.000 0.000 0.272 54 L C -0.465 176.439 176.870 0.056 0.000 1.189 54 L CA 0.296 55.195 54.840 0.099 0.000 0.846 54 L CB 0.964 43.054 42.059 0.051 0.000 1.111 54 L HN 0.432 nan 8.230 nan 0.000 0.475 55 V N 1.061 121.016 119.914 0.068 0.000 3.158 55 V HA 0.733 4.853 4.120 -0.000 0.000 0.311 55 V C -0.896 175.185 176.094 -0.022 0.000 1.181 55 V CA -0.818 61.462 62.300 -0.033 0.000 1.054 55 V CB 1.879 33.615 31.823 -0.145 0.000 1.085 55 V HN 0.840 nan 8.190 nan 0.000 0.446 56 E N 0.030 120.159 120.200 -0.120 0.000 2.308 56 E HA 0.553 4.903 4.350 -0.000 0.000 0.275 56 E C -1.857 174.661 176.600 -0.136 0.000 0.890 56 E CA -0.573 55.809 56.400 -0.030 0.000 0.754 56 E CB 2.339 32.054 29.700 0.024 0.000 1.207 56 E HN 0.622 nan 8.360 nan 0.000 0.426 57 F N 0.504 120.485 119.950 0.051 0.000 2.377 57 F HA 0.211 4.738 4.527 -0.000 0.000 0.335 57 F C 1.802 177.623 175.800 0.036 0.000 1.099 57 F CA -0.484 57.542 58.000 0.043 0.000 1.072 57 F CB 0.948 39.975 39.000 0.045 0.000 1.417 57 F HN 0.401 nan 8.300 nan 0.000 0.495 58 S N -0.915 114.941 115.700 0.261 0.000 2.595 58 S HA -0.080 4.389 4.470 -0.000 0.000 0.235 58 S C 1.384 176.058 174.600 0.123 0.000 0.974 58 S CA 0.667 58.954 58.200 0.145 0.000 0.942 58 S CB -0.277 62.993 63.200 0.116 0.000 0.766 58 S HN 0.493 nan 8.310 nan 0.000 0.536 59 S N -0.328 115.464 115.700 0.154 0.000 2.512 59 S HA 0.387 4.857 4.470 -0.000 0.000 0.216 59 S C 1.660 176.320 174.600 0.101 0.000 1.006 59 S CA 0.484 58.743 58.200 0.099 0.000 0.915 59 S CB 0.416 63.654 63.200 0.062 0.000 0.824 59 S HN 0.689 nan 8.310 nan 0.000 0.497 60 G N 1.187 110.067 108.800 0.133 0.000 2.234 60 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 60 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 60 G C 0.353 175.340 174.900 0.144 0.000 0.987 60 G CA 0.362 45.531 45.100 0.115 0.000 0.625 60 G HN 0.626 nan 8.290 nan 0.000 0.532 61 V N 1.649 121.665 119.914 0.170 0.000 2.493 61 V HA 0.427 4.547 4.120 -0.000 0.000 0.292 61 V C 0.978 177.268 176.094 0.327 0.000 1.016 61 V CA 0.585 63.000 62.300 0.192 0.000 1.097 61 V CB 0.516 32.401 31.823 0.103 0.000 0.947 61 V HN 0.403 nan 8.190 nan 0.000 0.479 62 K N 4.411 124.982 120.400 0.284 0.000 2.138 62 K HA 0.704 5.024 4.320 -0.000 0.000 0.251 62 K C 0.300 177.230 176.600 0.551 0.000 1.015 62 K CA 0.542 57.026 56.287 0.329 0.000 0.917 62 K CB 1.309 33.904 32.500 0.159 0.000 1.021 62 K HN 0.969 nan 8.250 nan 0.000 0.485 63 G N 0.194 109.338 108.800 0.573 0.000 2.663 63 G HA2 0.569 4.529 3.960 -0.000 0.000 0.299 63 G HA3 0.569 4.529 3.960 -0.000 0.000 0.299 63 G C -1.844 173.338 174.900 0.470 0.000 1.372 63 G CA -0.797 44.634 45.100 0.551 0.000 0.781 63 G HN 0.515 nan 8.290 nan 0.000 0.491 64 M N 0.954 120.706 119.600 0.254 0.000 2.183 64 M HA 0.667 5.147 4.480 -0.000 0.000 0.277 64 M C -0.337 176.024 176.300 0.102 0.000 0.995 64 M CA -0.721 54.711 55.300 0.220 0.000 0.969 64 M CB 1.733 34.492 32.600 0.266 0.000 1.659 64 M HN 0.888 nan 8.290 nan 0.000 0.462 65 A N 4.545 127.414 122.820 0.081 0.000 2.476 65 A HA 0.329 4.649 4.320 -0.000 0.000 0.275 65 A C 0.132 177.740 177.584 0.040 0.000 1.133 65 A CA -0.161 51.903 52.037 0.046 0.000 0.797 65 A CB -0.065 18.949 19.000 0.022 0.000 1.081 65 A HN 1.037 nan 8.150 nan 0.000 0.510 66 L N 2.790 124.029 121.223 0.027 0.000 2.575 66 L HA 0.463 4.802 4.340 -0.000 0.000 0.228 66 L C -0.079 176.798 176.870 0.011 0.000 1.075 66 L CA 0.677 55.529 54.840 0.019 0.000 0.867 66 L CB 0.301 42.360 42.059 -0.001 0.000 1.097 66 L HN 0.666 nan 8.230 nan 0.000 0.485 67 I N 1.036 121.611 120.570 0.008 0.000 2.493 67 I HA 0.244 4.414 4.170 -0.000 0.000 0.279 67 I C -1.209 174.910 176.117 0.003 0.000 1.045 67 I CA -0.303 61.000 61.300 0.004 0.000 1.106 67 I CB 1.444 39.444 38.000 0.000 0.000 1.216 67 I HN -0.132 nan 8.210 nan 0.000 0.459 68 L N 6.225 127.447 121.223 -0.001 0.000 2.264 68 L HA 0.601 4.941 4.340 -0.000 0.000 0.289 68 L C -0.164 176.700 176.870 -0.010 0.000 1.044 68 L CA -0.390 54.444 54.840 -0.009 0.000 0.807 68 L CB 0.765 42.817 42.059 -0.012 0.000 1.192 68 L HN 0.564 nan 8.230 nan 0.000 0.425 69 E N 3.449 123.641 120.200 -0.014 0.000 2.410 69 E HA 0.429 4.779 4.350 -0.000 0.000 0.269 69 E C -2.540 174.047 176.600 -0.022 0.000 0.937 69 E CA -2.009 54.384 56.400 -0.011 0.000 0.793 69 E CB 1.705 31.404 29.700 -0.002 0.000 1.314 69 E HN 0.389 nan 8.360 nan 0.000 0.447 70 P HA 0.043 nan 4.420 nan 0.000 0.264 70 P C 0.408 177.693 177.300 -0.025 0.000 1.236 70 P CA 0.690 63.775 63.100 -0.025 0.000 0.811 70 P CB 0.215 31.908 31.700 -0.011 0.000 0.840 71 G N 2.880 111.640 108.800 -0.067 0.000 2.238 71 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 71 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 71 G C -0.138 174.708 174.900 -0.090 0.000 0.996 71 G CA 0.195 45.242 45.100 -0.088 0.000 0.632 71 G HN 0.747 nan 8.290 nan 0.000 0.503 72 Q N -1.053 118.722 119.800 -0.042 0.000 2.534 72 Q HA 0.749 5.089 4.340 -0.000 0.000 0.290 72 Q C -1.400 174.596 176.000 -0.007 0.000 0.991 72 Q CA -1.168 54.634 55.803 -0.002 0.000 0.783 72 Q CB 2.512 31.296 28.738 0.077 0.000 1.470 72 Q HN 0.583 nan 8.270 nan 0.000 0.406 73 V N 0.183 120.104 119.914 0.013 0.000 2.638 73 V HA 0.778 4.898 4.120 -0.000 0.000 0.306 73 V C -0.054 176.061 176.094 0.035 0.000 1.052 73 V CA -0.405 61.902 62.300 0.012 0.000 0.885 73 V CB 1.839 33.661 31.823 -0.002 0.000 0.999 73 V HN 0.888 nan 8.190 nan 0.000 0.424 74 G N 3.930 112.747 108.800 0.028 0.000 2.329 74 G HA2 0.697 4.657 3.960 -0.000 0.000 0.309 74 G HA3 0.697 4.657 3.960 -0.000 0.000 0.309 74 G C -0.905 174.018 174.900 0.039 0.000 1.110 74 G CA -0.293 44.826 45.100 0.032 0.000 0.923 74 G HN 0.585 nan 8.290 nan 0.000 0.430 75 I N 2.390 123.003 120.570 0.071 0.000 2.406 75 I HA 0.188 4.357 4.170 -0.000 0.000 0.290 75 I C -0.031 176.120 176.117 0.056 0.000 0.999 75 I CA -0.833 60.525 61.300 0.097 0.000 1.124 75 I CB 2.401 40.526 38.000 0.207 0.000 1.289 75 I HN 0.112 nan 8.210 nan 0.000 0.441 76 V N 7.224 127.124 119.914 -0.024 0.000 2.455 76 V HA 0.216 4.336 4.120 -0.000 0.000 0.273 76 V C 0.475 176.463 176.094 -0.177 0.000 1.045 76 V CA -0.459 61.764 62.300 -0.130 0.000 0.976 76 V CB 0.600 32.290 31.823 -0.222 0.000 0.993 76 V HN 0.455 nan 8.190 nan 0.000 0.475 77 L N 4.475 125.617 121.223 -0.136 0.000 2.452 77 L HA 0.325 4.664 4.340 -0.000 0.000 0.267 77 L C 0.314 177.081 176.870 -0.171 0.000 1.188 77 L CA -0.068 54.721 54.840 -0.085 0.000 0.821 77 L CB 0.202 42.201 42.059 -0.099 0.000 1.102 77 L HN 0.499 nan 8.230 nan 0.000 0.470 78 F N 0.565 120.569 119.950 0.090 0.000 2.750 78 F HA 0.438 4.965 4.527 -0.000 0.000 0.297 78 F C 0.901 176.739 175.800 0.065 0.000 1.138 78 F CA -0.230 57.825 58.000 0.092 0.000 1.346 78 F CB 0.670 39.735 39.000 0.109 0.000 0.965 78 F HN 0.549 nan 8.300 nan 0.000 0.514 79 G N -1.254 107.640 108.800 0.156 0.000 2.489 79 G HA2 0.286 4.246 3.960 -0.000 0.000 0.305 79 G HA3 0.286 4.246 3.960 -0.000 0.000 0.305 79 G C -1.165 173.754 174.900 0.031 0.000 1.311 79 G CA -0.797 44.362 45.100 0.098 0.000 0.813 79 G HN -0.130 nan 8.290 nan 0.000 0.480 80 S N -0.492 115.218 115.700 0.017 0.000 2.563 80 S HA 0.096 4.566 4.470 -0.000 0.000 0.294 80 S C 1.230 175.804 174.600 -0.044 0.000 1.279 80 S CA 0.678 58.873 58.200 -0.008 0.000 1.069 80 S CB 0.270 63.468 63.200 -0.004 0.000 0.828 80 S HN 0.423 nan 8.310 nan 0.000 0.497 81 D N 3.637 124.007 120.400 -0.050 0.000 2.133 81 D HA -0.183 4.457 4.640 -0.000 0.000 0.192 81 D C 1.959 178.210 176.300 -0.081 0.000 1.001 81 D CA 1.688 55.644 54.000 -0.075 0.000 0.844 81 D CB -0.246 40.520 40.800 -0.056 0.000 0.944 81 D HN 0.720 nan 8.370 nan 0.000 0.447 82 R N 0.347 120.815 120.500 -0.054 0.000 2.190 82 R HA -0.213 4.127 4.340 -0.000 0.000 0.255 82 R C 2.094 178.358 176.300 -0.060 0.000 1.143 82 R CA 1.371 57.443 56.100 -0.045 0.000 0.965 82 R CB -0.548 29.736 30.300 -0.027 0.000 0.889 82 R HN 0.249 nan 8.270 nan 0.000 0.448 83 L N 0.442 121.621 121.223 -0.073 0.000 2.450 83 L HA -0.023 4.317 4.340 -0.000 0.000 0.224 83 L C 0.153 176.946 176.870 -0.128 0.000 1.149 83 L CA 0.198 54.991 54.840 -0.078 0.000 0.816 83 L CB 0.099 42.121 42.059 -0.062 0.000 0.932 83 L HN 0.015 nan 8.230 nan 0.000 0.449 84 V N -0.435 119.363 119.914 -0.194 0.000 2.581 84 V HA 0.352 4.472 4.120 -0.000 0.000 0.303 84 V C -0.111 175.915 176.094 -0.114 0.000 1.041 84 V CA -0.879 61.278 62.300 -0.239 0.000 0.907 84 V CB 1.880 33.401 31.823 -0.502 0.000 0.994 84 V HN 0.080 nan 8.190 nan 0.000 0.442 85 K N 1.447 121.816 120.400 -0.052 0.000 2.400 85 K HA 0.478 4.797 4.320 -0.000 0.000 0.246 85 K C -0.540 176.067 176.600 0.012 0.000 0.995 85 K CA -0.890 55.386 56.287 -0.018 0.000 0.840 85 K CB 2.438 34.935 32.500 -0.005 0.000 1.293 85 K HN 0.779 nan 8.250 nan 0.000 0.445 86 E N 0.206 120.412 120.200 0.010 0.000 2.384 86 E HA 0.048 4.398 4.350 -0.000 0.000 0.266 86 E C 0.460 177.076 176.600 0.026 0.000 1.012 86 E CA 1.140 57.552 56.400 0.021 0.000 0.901 86 E CB 0.333 30.038 29.700 0.008 0.000 0.967 86 E HN 0.757 nan 8.360 nan 0.000 0.435 87 G N 3.773 112.595 108.800 0.035 0.000 2.268 87 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.240 87 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.240 87 G C 0.253 175.186 174.900 0.054 0.000 1.010 87 G CA 0.291 45.410 45.100 0.032 0.000 0.618 87 G HN 0.615 nan 8.290 nan 0.000 0.516 88 E N -0.236 120.010 120.200 0.076 0.000 2.410 88 E HA 0.474 4.824 4.350 -0.000 0.000 0.255 88 E C 0.055 176.734 176.600 0.131 0.000 1.194 88 E CA -0.411 56.051 56.400 0.103 0.000 0.955 88 E CB 1.048 30.820 29.700 0.120 0.000 0.988 88 E HN 0.310 nan 8.360 nan 0.000 0.461 89 L N 1.382 122.681 121.223 0.127 0.000 2.334 89 L HA 0.270 4.610 4.340 -0.000 0.000 0.277 89 L C -1.201 175.718 176.870 0.081 0.000 1.075 89 L CA -0.445 54.451 54.840 0.092 0.000 0.804 89 L CB 1.361 43.457 42.059 0.062 0.000 1.174 89 L HN 0.161 nan 8.230 nan 0.000 0.438 90 V N 4.063 123.965 119.914 -0.021 0.000 2.483 90 V HA 0.466 4.586 4.120 -0.000 0.000 0.297 90 V C -0.410 175.583 176.094 -0.168 0.000 1.027 90 V CA -0.895 61.270 62.300 -0.225 0.000 0.855 90 V CB 1.335 32.945 31.823 -0.356 0.000 0.995 90 V HN 0.668 nan 8.190 nan 0.000 0.424 91 K N 3.371 123.668 120.400 -0.173 0.000 2.138 91 K HA 0.585 4.905 4.320 -0.000 0.000 0.263 91 K C -0.025 176.506 176.600 -0.115 0.000 0.965 91 K CA -0.768 55.457 56.287 -0.102 0.000 0.868 91 K CB 2.027 34.494 32.500 -0.055 0.000 1.083 91 K HN 0.543 nan 8.250 nan 0.000 0.443 92 R N 0.366 120.820 120.500 -0.077 0.000 2.679 92 R HA 0.079 4.419 4.340 -0.000 0.000 0.269 92 R C 0.292 176.567 176.300 -0.041 0.000 1.076 92 R CA 0.327 56.391 56.100 -0.060 0.000 1.160 92 R CB 0.650 30.925 30.300 -0.043 0.000 1.054 92 R HN 0.661 nan 8.270 nan 0.000 0.507 93 T N -0.263 114.274 114.554 -0.028 0.000 2.971 93 T HA 0.131 4.481 4.350 -0.000 0.000 0.252 93 T C 0.951 175.645 174.700 -0.010 0.000 1.022 93 T CA 0.371 62.462 62.100 -0.015 0.000 0.980 93 T CB 0.676 69.540 68.868 -0.007 0.000 1.044 93 T HN 0.894 nan 8.240 nan 0.000 0.501 94 G N 2.425 111.219 108.800 -0.011 0.000 2.233 94 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.270 94 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.270 94 G C -0.127 174.772 174.900 -0.002 0.000 1.011 94 G CA 0.106 45.201 45.100 -0.007 0.000 0.762 94 G HN 0.489 nan 8.290 nan 0.000 0.511 95 N N -0.318 118.383 118.700 0.002 0.000 2.410 95 N HA 0.511 5.251 4.740 -0.000 0.000 0.287 95 N C 0.283 175.802 175.510 0.014 0.000 1.044 95 N CA -0.819 52.235 53.050 0.006 0.000 0.881 95 N CB 0.917 39.405 38.487 0.002 0.000 1.405 95 N HN 0.021 nan 8.380 nan 0.000 0.490 96 I N 1.693 122.272 120.570 0.016 0.000 2.813 96 I HA -0.009 4.161 4.170 -0.000 0.000 0.287 96 I C 0.659 176.790 176.117 0.025 0.000 1.196 96 I CA -0.225 61.090 61.300 0.024 0.000 1.421 96 I CB 0.090 38.102 38.000 0.019 0.000 1.365 96 I HN 0.253 nan 8.210 nan 0.000 0.591 97 V N 6.694 126.633 119.914 0.041 0.000 2.703 97 V HA -0.123 3.997 4.120 -0.000 0.000 0.300 97 V C 0.287 176.384 176.094 0.005 0.000 1.063 97 V CA 0.595 62.913 62.300 0.030 0.000 1.240 97 V CB -0.950 30.913 31.823 0.068 0.000 0.845 97 V HN 0.929 nan 8.190 nan 0.000 0.476 98 D N 4.114 124.506 120.400 -0.013 0.000 2.579 98 D HA 0.729 5.369 4.640 -0.000 0.000 0.257 98 D C -0.735 175.552 176.300 -0.021 0.000 1.176 98 D CA -0.575 53.421 54.000 -0.008 0.000 0.914 98 D CB 2.269 43.068 40.800 -0.001 0.000 1.431 98 D HN 0.458 nan 8.370 nan 0.000 0.454 99 V N -4.647 115.262 119.914 -0.008 0.000 3.114 99 V HA 0.705 4.824 4.120 -0.000 0.000 0.308 99 V C -2.999 173.088 176.094 -0.012 0.000 1.168 99 V CA -2.397 59.895 62.300 -0.015 0.000 1.015 99 V CB 1.835 33.654 31.823 -0.006 0.000 1.050 99 V HN 0.408 nan 8.190 nan 0.000 0.433 100 P HA 0.373 nan 4.420 nan 0.000 0.276 100 P C -0.265 177.005 177.300 -0.050 0.000 1.253 100 P CA 0.089 63.164 63.100 -0.041 0.000 0.766 100 P CB 0.958 32.629 31.700 -0.048 0.000 0.845 101 V N 1.164 121.037 119.914 -0.069 0.000 3.177 101 V HA 1.027 5.146 4.120 -0.000 0.000 0.319 101 V C 0.375 176.252 176.094 -0.362 0.000 1.125 101 V CA -0.110 62.127 62.300 -0.106 0.000 1.029 101 V CB 1.153 32.989 31.823 0.021 0.000 1.119 101 V HN 0.862 nan 8.190 nan 0.000 0.452 102 G N 0.785 109.204 108.800 -0.636 0.000 2.280 102 G HA2 0.081 4.041 3.960 -0.000 0.000 0.277 102 G HA3 0.081 4.041 3.960 -0.000 0.000 0.277 102 G C -2.468 171.680 174.900 -1.254 0.000 1.288 102 G CA 0.072 44.248 45.100 -1.541 0.000 1.075 102 G HN 0.726 nan 8.290 nan 0.000 0.480 103 P HA 0.063 nan 4.420 nan 0.000 0.218 103 P C 1.909 179.033 177.300 -0.293 0.000 1.152 103 P CA 2.074 64.740 63.100 -0.722 0.000 0.826 103 P CB -0.294 31.053 31.700 -0.588 0.000 0.790 104 G N 0.288 108.919 108.800 -0.282 0.000 2.470 104 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.220 104 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.220 104 G C 1.385 176.244 174.900 -0.069 0.000 1.121 104 G CA 0.316 45.333 45.100 -0.138 0.000 0.766 104 G HN 0.185 nan 8.290 nan 0.000 0.553 105 L N 0.236 121.421 121.223 -0.063 0.000 2.395 105 L HA 0.186 4.526 4.340 -0.000 0.000 0.218 105 L C 0.839 177.739 176.870 0.050 0.000 1.130 105 L CA -0.075 54.764 54.840 -0.002 0.000 0.826 105 L CB -0.481 41.582 42.059 0.007 0.000 0.941 105 L HN 0.041 nan 8.230 nan 0.000 0.451 106 L N 0.843 122.125 121.223 0.100 0.000 2.593 106 L HA 0.057 4.397 4.340 -0.000 0.000 0.287 106 L C 1.603 178.513 176.870 0.066 0.000 1.243 106 L CA 1.413 56.334 54.840 0.134 0.000 0.890 106 L CB -0.746 41.444 42.059 0.219 0.000 1.134 106 L HN 0.476 nan 8.230 nan 0.000 0.502 107 G N 2.709 111.531 108.800 0.037 0.000 2.284 107 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.261 107 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.261 107 G C 0.783 175.679 174.900 -0.007 0.000 0.997 107 G CA 0.197 45.294 45.100 -0.005 0.000 0.621 107 G HN 0.509 nan 8.290 nan 0.000 0.534 108 R N -0.178 120.326 120.500 0.006 0.000 2.546 108 R HA 0.673 5.013 4.340 -0.000 0.000 0.266 108 R C -0.048 176.256 176.300 0.006 0.000 1.086 108 R CA -0.402 55.700 56.100 0.003 0.000 1.160 108 R CB 1.025 31.326 30.300 0.003 0.000 1.138 108 R HN 0.267 nan 8.270 nan 0.000 0.567 109 V N 1.420 121.338 119.914 0.006 0.000 2.540 109 V HA 0.465 4.585 4.120 -0.000 0.000 0.302 109 V C -0.141 175.962 176.094 0.016 0.000 1.035 109 V CA -0.819 61.490 62.300 0.015 0.000 0.873 109 V CB 1.899 33.730 31.823 0.014 0.000 0.992 109 V HN 0.625 nan 8.190 nan 0.000 0.428 110 V N 0.530 120.457 119.914 0.022 0.000 2.962 110 V HA 0.825 4.944 4.120 -0.000 0.000 0.313 110 V C -0.577 175.529 176.094 0.020 0.000 1.099 110 V CA -0.906 61.404 62.300 0.015 0.000 0.971 110 V CB 2.009 33.838 31.823 0.009 0.000 1.028 110 V HN 0.858 nan 8.190 nan 0.000 0.430 111 D N 2.476 122.883 120.400 0.013 0.000 2.447 111 D HA 0.550 5.190 4.640 -0.000 0.000 0.265 111 D C 1.334 177.636 176.300 0.004 0.000 1.250 111 D CA 0.112 54.121 54.000 0.016 0.000 1.046 111 D CB 0.955 41.765 40.800 0.016 0.000 1.095 111 D HN 0.821 nan 8.370 nan 0.000 0.555 112 A N -0.545 122.279 122.820 0.006 0.000 1.940 112 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 112 A C 2.161 179.708 177.584 -0.061 0.000 1.176 112 A CA 1.196 53.228 52.037 -0.008 0.000 0.631 112 A CB -1.009 18.005 19.000 0.023 0.000 0.814 112 A HN 0.554 nan 8.150 nan 0.000 0.446 113 L N -0.915 120.248 121.223 -0.100 0.000 2.627 113 L HA 0.214 4.554 4.340 -0.000 0.000 0.233 113 L C 1.495 178.322 176.870 -0.072 0.000 1.144 113 L CA 0.409 55.169 54.840 -0.133 0.000 0.892 113 L CB -0.378 41.572 42.059 -0.183 0.000 1.039 113 L HN 0.569 nan 8.230 nan 0.000 0.442 114 G N -0.077 108.698 108.800 -0.041 0.000 2.147 114 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 114 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 114 G C 0.090 174.977 174.900 -0.022 0.000 1.005 114 G CA -0.233 44.852 45.100 -0.024 0.000 0.713 114 G HN 0.386 nan 8.290 nan 0.000 0.515 115 N N 1.058 119.746 118.700 -0.020 0.000 2.508 115 N HA 0.428 5.167 4.740 -0.000 0.000 0.285 115 N C -2.401 173.105 175.510 -0.006 0.000 1.144 115 N CA -1.266 51.775 53.050 -0.015 0.000 0.978 115 N CB 1.544 40.022 38.487 -0.014 0.000 1.180 115 N HN 0.083 nan 8.380 nan 0.000 0.484 116 P HA 0.101 nan 4.420 nan 0.000 0.271 116 P C 0.321 177.624 177.300 0.003 0.000 1.226 116 P CA 0.216 63.315 63.100 -0.002 0.000 0.765 116 P CB 0.360 32.057 31.700 -0.004 0.000 0.835 117 I N 0.174 120.748 120.570 0.006 0.000 4.655 117 I HA 0.143 4.313 4.170 -0.000 0.000 0.333 117 I C 1.000 177.122 176.117 0.009 0.000 1.312 117 I CA -0.117 61.189 61.300 0.010 0.000 1.270 117 I CB 0.064 38.074 38.000 0.016 0.000 1.318 117 I HN 0.046 nan 8.210 nan 0.000 0.456 118 D N 2.203 122.606 120.400 0.005 0.000 2.277 118 D HA 0.079 4.719 4.640 -0.000 0.000 0.208 118 D C 1.682 177.982 176.300 0.000 0.000 0.962 118 D CA 1.101 55.102 54.000 0.002 0.000 0.865 118 D CB -0.270 40.529 40.800 -0.001 0.000 0.939 118 D HN 0.529 nan 8.370 nan 0.000 0.510 119 G N 0.324 109.124 108.800 0.001 0.000 2.207 119 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.216 119 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.216 119 G C -0.053 174.846 174.900 -0.002 0.000 1.053 119 G CA -0.026 45.074 45.100 0.000 0.000 0.764 119 G HN 0.422 nan 8.290 nan 0.000 0.495 120 K N 0.512 120.910 120.400 -0.003 0.000 3.122 120 K HA 0.516 4.836 4.320 -0.000 0.000 0.193 120 K C 1.151 177.748 176.600 -0.006 0.000 1.141 120 K CA -0.113 56.171 56.287 -0.005 0.000 0.975 120 K CB 0.870 33.367 32.500 -0.006 0.000 1.173 120 K HN 1.457 nan 8.250 nan 0.000 0.546 121 G N 2.388 111.185 108.800 -0.005 0.000 2.697 121 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.240 121 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.240 121 G C -2.391 172.504 174.900 -0.009 0.000 1.346 121 G CA -0.993 44.103 45.100 -0.007 0.000 0.887 121 G HN 0.258 nan 8.290 nan 0.000 0.569 122 P HA 0.503 nan 4.420 nan 0.000 0.286 122 P C 0.223 177.511 177.300 -0.020 0.000 1.293 122 P CA -0.647 62.444 63.100 -0.015 0.000 0.770 122 P CB 0.380 32.071 31.700 -0.015 0.000 1.206 123 I N 0.970 121.525 120.570 -0.026 0.000 2.336 123 I HA 0.094 4.264 4.170 -0.000 0.000 0.292 123 I C 0.211 176.299 176.117 -0.049 0.000 0.991 123 I CA -0.355 60.923 61.300 -0.036 0.000 1.227 123 I CB 0.858 38.835 38.000 -0.038 0.000 1.366 123 I HN 0.288 nan 8.210 nan 0.000 0.466 124 D N 6.518 126.883 120.400 -0.058 0.000 2.441 124 D HA 0.234 4.874 4.640 -0.000 0.000 0.243 124 D C 0.043 176.275 176.300 -0.114 0.000 1.257 124 D CA 0.066 54.021 54.000 -0.074 0.000 1.027 124 D CB 0.248 41.006 40.800 -0.070 0.000 1.084 124 D HN 0.536 nan 8.370 nan 0.000 0.514 125 A N 2.694 125.452 122.820 -0.103 0.000 2.252 125 A HA 0.582 4.902 4.320 -0.000 0.000 0.309 125 A C 1.124 178.624 177.584 -0.141 0.000 1.285 125 A CA -0.193 51.767 52.037 -0.129 0.000 0.900 125 A CB 1.165 20.113 19.000 -0.086 0.000 1.157 125 A HN 0.516 nan 8.150 nan 0.000 0.536 126 A N 2.386 125.069 122.820 -0.228 0.000 2.119 126 A HA 0.500 4.820 4.320 -0.000 0.000 0.216 126 A C 1.159 178.703 177.584 -0.067 0.000 1.152 126 A CA 1.313 53.242 52.037 -0.180 0.000 0.708 126 A CB -0.259 18.534 19.000 -0.345 0.000 0.805 126 A HN 2.128 nan 8.150 nan 0.000 0.460 127 G N -1.446 107.310 108.800 -0.073 0.000 2.322 127 G HA2 0.470 4.430 3.960 -0.000 0.000 0.295 127 G HA3 0.470 4.430 3.960 -0.000 0.000 0.295 127 G C -1.398 173.496 174.900 -0.010 0.000 1.369 127 G CA -1.066 44.029 45.100 -0.007 0.000 0.821 127 G HN 0.113 nan 8.290 nan 0.000 0.536 128 R N 0.767 121.273 120.500 0.010 0.000 2.312 128 R HA 0.529 4.869 4.340 -0.000 0.000 0.310 128 R C -0.421 175.894 176.300 0.025 0.000 1.064 128 R CA -0.484 55.621 56.100 0.009 0.000 0.983 128 R CB 1.517 31.817 30.300 0.000 0.000 1.139 128 R HN 0.346 nan 8.270 nan 0.000 0.536 129 S N 2.214 117.936 115.700 0.038 0.000 2.545 129 S HA 0.266 4.736 4.470 -0.000 0.000 0.275 129 S C 0.422 175.043 174.600 0.034 0.000 1.299 129 S CA -0.552 57.677 58.200 0.048 0.000 1.048 129 S CB 0.817 64.062 63.200 0.074 0.000 0.938 129 S HN 0.371 nan 8.310 nan 0.000 0.496 130 R N 1.362 121.881 120.500 0.031 0.000 2.679 130 R HA 0.114 4.454 4.340 -0.000 0.000 0.268 130 R C 1.330 177.649 176.300 0.031 0.000 1.044 130 R CA 0.141 56.255 56.100 0.023 0.000 1.105 130 R CB 0.171 30.482 30.300 0.018 0.000 0.989 130 R HN 0.754 nan 8.270 nan 0.000 0.447 131 A N 2.870 125.703 122.820 0.021 0.000 1.929 131 A HA -0.087 4.232 4.320 -0.000 0.000 0.216 131 A C 0.451 178.056 177.584 0.036 0.000 1.176 131 A CA 1.034 53.096 52.037 0.041 0.000 0.628 131 A CB 0.171 19.184 19.000 0.021 0.000 0.816 131 A HN 0.573 nan 8.150 nan 0.000 0.444 132 Q N 0.808 120.586 119.800 -0.037 0.000 2.421 132 Q HA 0.457 4.796 4.340 -0.000 0.000 0.242 132 Q C -1.286 174.706 176.000 -0.014 0.000 1.024 132 Q CA -0.053 55.702 55.803 -0.080 0.000 0.891 132 Q CB 1.251 29.886 28.738 -0.172 0.000 1.222 132 Q HN 0.197 nan 8.270 nan 0.000 0.483 133 V N 2.149 122.076 119.914 0.022 0.000 2.581 133 V HA 0.328 4.448 4.120 -0.000 0.000 0.303 133 V C 0.226 176.338 176.094 0.031 0.000 1.041 133 V CA -1.003 61.315 62.300 0.029 0.000 0.907 133 V CB 2.219 34.068 31.823 0.042 0.000 0.994 133 V HN 0.552 nan 8.190 nan 0.000 0.442 134 K N 2.713 123.131 120.400 0.030 0.000 2.368 134 K HA 0.535 4.855 4.320 -0.000 0.000 0.282 134 K C 0.376 176.998 176.600 0.036 0.000 1.035 134 K CA -0.108 56.201 56.287 0.037 0.000 0.973 134 K CB 0.773 33.297 32.500 0.041 0.000 0.957 134 K HN 0.931 nan 8.250 nan 0.000 0.474 135 A N 5.794 128.636 122.820 0.037 0.000 2.483 135 A HA 0.193 4.512 4.320 -0.000 0.000 0.238 135 A C -2.093 175.509 177.584 0.031 0.000 1.070 135 A CA -1.050 51.007 52.037 0.033 0.000 0.770 135 A CB -0.442 18.576 19.000 0.030 0.000 1.008 135 A HN 0.587 nan 8.150 nan 0.000 0.497 136 P HA 0.128 nan 4.420 nan 0.000 0.264 136 P C 0.904 178.218 177.300 0.025 0.000 1.179 136 P CA 0.869 63.982 63.100 0.022 0.000 0.763 136 P CB 0.382 32.093 31.700 0.019 0.000 0.806 137 G N 1.491 110.304 108.800 0.022 0.000 2.418 137 G HA2 0.029 3.989 3.960 -0.000 0.000 0.276 137 G HA3 0.029 3.989 3.960 -0.000 0.000 0.276 137 G C 0.782 175.696 174.900 0.023 0.000 1.442 137 G CA -0.255 44.859 45.100 0.024 0.000 1.066 137 G HN 0.394 nan 8.290 nan 0.000 0.553 138 I N -1.112 119.471 120.570 0.022 0.000 3.030 138 I HA 0.164 4.334 4.170 -0.000 0.000 0.270 138 I C 2.139 178.267 176.117 0.018 0.000 1.211 138 I CA 0.463 61.776 61.300 0.022 0.000 1.479 138 I CB 0.045 38.058 38.000 0.022 0.000 1.105 138 I HN 0.230 nan 8.210 nan 0.000 0.447 139 L N 0.519 121.751 121.223 0.016 0.000 2.425 139 L HA 0.244 4.584 4.340 -0.000 0.000 0.215 139 L C -1.023 175.855 176.870 0.012 0.000 1.065 139 L CA 0.711 55.559 54.840 0.013 0.000 0.842 139 L CB -0.756 41.309 42.059 0.010 0.000 1.033 139 L HN 0.072 nan 8.230 nan 0.000 0.474 140 P HA 0.036 nan 4.420 nan 0.000 0.279 140 P C -0.407 176.902 177.300 0.015 0.000 1.451 140 P CA 0.548 63.654 63.100 0.010 0.000 0.783 140 P CB -0.067 31.637 31.700 0.007 0.000 1.490 141 R N -0.488 120.024 120.500 0.020 0.000 2.950 141 R HA 0.732 5.072 4.340 -0.000 0.000 0.253 141 R C -0.121 176.198 176.300 0.032 0.000 1.168 141 R CA -0.875 55.241 56.100 0.026 0.000 1.014 141 R CB 2.178 32.493 30.300 0.026 0.000 1.228 141 R HN -0.117 nan 8.270 nan 0.000 0.487 142 R N 0.097 120.622 120.500 0.042 0.000 2.664 142 R HA 0.184 4.524 4.340 -0.000 0.000 0.266 142 R C -1.043 175.297 176.300 0.066 0.000 1.046 142 R CA -0.408 55.724 56.100 0.054 0.000 0.885 142 R CB 1.888 32.231 30.300 0.073 0.000 1.254 142 R HN 0.931 nan 8.270 nan 0.000 0.465 143 S N 0.496 116.240 115.700 0.072 0.000 2.572 143 S HA 0.129 4.599 4.470 -0.000 0.000 0.267 143 S C 0.555 175.229 174.600 0.124 0.000 1.361 143 S CA -0.477 57.771 58.200 0.080 0.000 1.009 143 S CB 0.670 63.910 63.200 0.066 0.000 0.888 143 S HN 0.504 nan 8.310 nan 0.000 0.553 144 V N 0.870 120.829 119.914 0.075 0.000 2.348 144 V HA 0.511 4.631 4.120 -0.000 0.000 0.270 144 V C 0.797 176.918 176.094 0.045 0.000 1.037 144 V CA -0.438 61.872 62.300 0.017 0.000 0.872 144 V CB 0.116 31.922 31.823 -0.029 0.000 1.002 144 V HN 1.121 nan 8.190 nan 0.000 0.464 145 H N 2.174 121.221 119.070 -0.038 0.000 3.205 145 H HA 0.399 4.955 4.556 -0.000 0.000 0.252 145 H C 0.103 175.395 175.328 -0.060 0.000 1.015 145 H CA -0.269 55.756 56.048 -0.039 0.000 1.192 145 H CB 0.540 30.285 29.762 -0.028 0.000 1.474 145 H HN 0.647 nan 8.280 nan 0.000 0.484 146 E N 4.557 124.445 120.200 -0.519 0.000 2.289 146 E HA 0.242 4.592 4.350 -0.000 0.000 0.278 146 E C -2.464 173.978 176.600 -0.263 0.000 1.032 146 E CA -2.048 54.123 56.400 -0.381 0.000 0.854 146 E CB 1.362 30.759 29.700 -0.506 0.000 1.046 146 E HN 0.277 nan 8.360 nan 0.000 0.409 147 P HA 0.046 nan 4.420 nan 0.000 0.286 147 P C -0.562 176.577 177.300 -0.269 0.000 1.269 147 P CA -0.335 62.648 63.100 -0.195 0.000 0.787 147 P CB 0.893 32.505 31.700 -0.146 0.000 0.920 148 V N 5.038 124.822 119.914 -0.218 0.000 2.356 148 V HA 0.034 4.154 4.120 -0.000 0.000 0.258 148 V C 0.994 176.976 176.094 -0.185 0.000 1.065 148 V CA -0.118 62.047 62.300 -0.224 0.000 0.935 148 V CB -0.219 31.511 31.823 -0.156 0.000 1.061 148 V HN 0.488 nan 8.190 nan 0.000 0.484 149 Q N 2.876 122.522 119.800 -0.256 0.000 2.337 149 Q HA 0.120 4.460 4.340 -0.000 0.000 0.270 149 Q C 1.301 177.275 176.000 -0.044 0.000 1.002 149 Q CA 0.511 56.232 55.803 -0.136 0.000 0.888 149 Q CB 1.409 30.059 28.738 -0.146 0.000 1.222 149 Q HN 0.933 nan 8.270 nan 0.000 0.400 150 T N -1.882 112.672 114.554 0.002 0.000 3.046 150 T HA 0.204 4.554 4.350 -0.000 0.000 0.242 150 T C 1.127 175.853 174.700 0.043 0.000 1.018 150 T CA 0.603 62.711 62.100 0.013 0.000 1.131 150 T CB 0.126 68.998 68.868 0.006 0.000 0.904 150 T HN 0.827 nan 8.240 nan 0.000 0.459 151 G N 1.412 110.248 108.800 0.061 0.000 2.137 151 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.237 151 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.237 151 G C -0.275 174.652 174.900 0.045 0.000 1.002 151 G CA 0.215 45.354 45.100 0.066 0.000 0.702 151 G HN 0.687 nan 8.290 nan 0.000 0.515 152 L N -0.893 120.352 121.223 0.038 0.000 2.385 152 L HA 0.516 4.856 4.340 -0.000 0.000 0.273 152 L C 1.472 178.366 176.870 0.038 0.000 0.990 152 L CA -1.030 53.830 54.840 0.032 0.000 0.821 152 L CB 1.639 43.711 42.059 0.021 0.000 1.279 152 L HN 0.039 nan 8.230 nan 0.000 0.412 153 K N 1.793 122.219 120.400 0.043 0.000 1.987 153 K HA -0.207 4.113 4.320 -0.000 0.000 0.216 153 K C 1.854 178.483 176.600 0.049 0.000 1.051 153 K CA 2.110 58.428 56.287 0.051 0.000 0.942 153 K CB -0.138 32.396 32.500 0.057 0.000 0.722 153 K HN 0.807 nan 8.250 nan 0.000 0.444 154 A N 0.571 123.421 122.820 0.049 0.000 1.969 154 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 154 A C 2.286 179.897 177.584 0.045 0.000 1.169 154 A CA 1.475 53.543 52.037 0.052 0.000 0.635 154 A CB -0.514 18.520 19.000 0.056 0.000 0.810 154 A HN 0.123 nan 8.150 nan 0.000 0.445 155 V N 0.315 120.251 119.914 0.037 0.000 2.307 155 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 155 V C 2.006 178.116 176.094 0.026 0.000 1.045 155 V CA 2.173 64.490 62.300 0.028 0.000 1.024 155 V CB -0.856 30.978 31.823 0.019 0.000 0.651 155 V HN 0.419 nan 8.190 nan 0.000 0.449 156 D N 0.251 120.668 120.400 0.028 0.000 2.224 156 D HA 0.018 4.658 4.640 -0.000 0.000 0.205 156 D C 2.062 178.382 176.300 0.033 0.000 0.965 156 D CA 1.387 55.403 54.000 0.027 0.000 0.852 156 D CB -0.071 40.748 40.800 0.033 0.000 0.947 156 D HN 0.446 nan 8.370 nan 0.000 0.494 157 A N -0.472 122.372 122.820 0.040 0.000 1.943 157 A HA 0.118 4.438 4.320 -0.000 0.000 0.213 157 A C 2.056 179.667 177.584 0.044 0.000 1.181 157 A CA 0.520 52.583 52.037 0.044 0.000 0.653 157 A CB -0.129 18.902 19.000 0.051 0.000 0.833 157 A HN 0.174 nan 8.150 nan 0.000 0.451 158 L N -0.761 120.490 121.223 0.046 0.000 2.445 158 L HA 0.136 4.476 4.340 -0.000 0.000 0.207 158 L C 0.367 177.262 176.870 0.041 0.000 1.053 158 L CA 0.425 55.294 54.840 0.050 0.000 0.841 158 L CB 0.414 42.509 42.059 0.060 0.000 1.074 158 L HN 0.208 nan 8.230 nan 0.000 0.479 159 V N -1.877 118.058 119.914 0.036 0.000 2.271 159 V HA 0.418 4.538 4.120 -0.000 0.000 0.259 159 V C -2.630 173.474 176.094 0.015 0.000 1.030 159 V CA -1.970 60.347 62.300 0.028 0.000 0.957 159 V CB -0.324 31.518 31.823 0.032 0.000 1.186 159 V HN -0.069 nan 8.190 nan 0.000 0.471 160 P HA 0.349 nan 4.420 nan 0.000 0.268 160 P C -0.413 176.878 177.300 -0.015 0.000 1.205 160 P CA 0.344 63.442 63.100 -0.003 0.000 0.771 160 P CB 1.440 33.140 31.700 -0.001 0.000 0.858 161 I N 1.614 122.165 120.570 -0.032 0.000 2.406 161 I HA 0.454 4.623 4.170 -0.000 0.000 0.290 161 I C 0.992 177.065 176.117 -0.073 0.000 0.999 161 I CA -0.500 60.773 61.300 -0.045 0.000 1.124 161 I CB 2.069 40.042 38.000 -0.045 0.000 1.289 161 I HN 0.320 nan 8.210 nan 0.000 0.441 162 G N 4.936 113.693 108.800 -0.071 0.000 2.488 162 G HA2 0.543 4.503 3.960 -0.000 0.000 0.318 162 G HA3 0.543 4.503 3.960 -0.000 0.000 0.318 162 G C -0.490 174.339 174.900 -0.118 0.000 1.188 162 G CA -0.787 44.252 45.100 -0.102 0.000 0.944 162 G HN 0.499 nan 8.290 nan 0.000 0.495 163 R N -0.255 120.144 120.500 -0.167 0.000 2.298 163 R HA 0.432 4.772 4.340 -0.000 0.000 0.310 163 R C 1.085 177.327 176.300 -0.096 0.000 1.068 163 R CA 0.730 56.733 56.100 -0.161 0.000 0.957 163 R CB 1.124 31.262 30.300 -0.270 0.000 1.003 163 R HN 1.067 nan 8.270 nan 0.000 0.454 164 G N 1.613 110.386 108.800 -0.046 0.000 2.217 164 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.246 164 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.246 164 G C 0.281 175.174 174.900 -0.012 0.000 0.990 164 G CA 0.156 45.249 45.100 -0.012 0.000 0.627 164 G HN 0.594 nan 8.290 nan 0.000 0.522 165 Q N 0.476 120.259 119.800 -0.028 0.000 2.417 165 Q HA 0.564 4.904 4.340 -0.000 0.000 0.241 165 Q C -0.004 175.988 176.000 -0.014 0.000 1.008 165 Q CA -0.259 55.532 55.803 -0.020 0.000 0.901 165 Q CB 0.349 29.069 28.738 -0.030 0.000 1.259 165 Q HN 0.499 nan 8.270 nan 0.000 0.489 166 R N 2.273 122.769 120.500 -0.007 0.000 2.409 166 R HA 0.292 4.631 4.340 -0.000 0.000 0.313 166 R C -1.369 174.927 176.300 -0.007 0.000 0.953 166 R CA -0.565 55.532 56.100 -0.005 0.000 0.849 166 R CB 1.585 31.882 30.300 -0.004 0.000 1.171 166 R HN 0.482 nan 8.270 nan 0.000 0.458 167 E N 3.095 123.291 120.200 -0.008 0.000 2.218 167 E HA 0.252 4.602 4.350 -0.000 0.000 0.263 167 E C -1.630 174.967 176.600 -0.006 0.000 0.879 167 E CA -0.918 55.479 56.400 -0.005 0.000 0.762 167 E CB 1.262 30.958 29.700 -0.006 0.000 1.166 167 E HN 0.389 nan 8.360 nan 0.000 0.415 168 L N 5.570 126.791 121.223 -0.004 0.000 2.292 168 L HA 0.534 4.874 4.340 -0.000 0.000 0.284 168 L C -1.074 175.798 176.870 0.003 0.000 1.065 168 L CA -0.077 54.757 54.840 -0.010 0.000 0.806 168 L CB 0.687 42.734 42.059 -0.021 0.000 1.175 168 L HN 0.666 nan 8.230 nan 0.000 0.431 169 I N 7.017 127.582 120.570 -0.009 0.000 2.291 169 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 169 I C -0.234 175.873 176.117 -0.017 0.000 1.050 169 I CA 0.036 61.328 61.300 -0.013 0.000 1.245 169 I CB 0.905 38.889 38.000 -0.027 0.000 1.405 169 I HN 0.607 nan 8.210 nan 0.000 0.478 170 I N 5.703 126.278 120.570 0.009 0.000 2.608 170 I HA 0.912 5.082 4.170 -0.000 0.000 0.295 170 I C -0.116 175.974 176.117 -0.046 0.000 1.049 170 I CA 0.026 61.350 61.300 0.041 0.000 1.063 170 I CB 1.818 39.905 38.000 0.146 0.000 1.248 170 I HN 0.647 nan 8.210 nan 0.000 0.424 171 G N 4.573 113.331 108.800 -0.070 0.000 2.316 171 G HA2 0.166 4.126 3.960 -0.000 0.000 0.296 171 G HA3 0.166 4.126 3.960 -0.000 0.000 0.296 171 G C -1.815 173.017 174.900 -0.114 0.000 1.399 171 G CA -0.804 44.162 45.100 -0.223 0.000 0.833 171 G HN 0.537 nan 8.290 nan 0.000 0.565 172 D N -0.313 120.012 120.400 -0.125 0.000 2.312 172 D HA 0.295 4.934 4.640 -0.000 0.000 0.244 172 D C 1.095 177.338 176.300 -0.096 0.000 1.328 172 D CA 0.049 54.010 54.000 -0.065 0.000 0.965 172 D CB 0.377 41.151 40.800 -0.042 0.000 1.140 172 D HN 0.487 nan 8.370 nan 0.000 0.523 173 R N 0.699 121.166 120.500 -0.055 0.000 2.489 173 R HA -0.023 4.317 4.340 -0.000 0.000 0.287 173 R C -0.170 176.076 176.300 -0.090 0.000 1.053 173 R CA 0.126 56.192 56.100 -0.056 0.000 1.036 173 R CB 0.142 30.434 30.300 -0.014 0.000 0.966 173 R HN 0.322 nan 8.270 nan 0.000 0.432 174 Q N 0.989 120.713 119.800 -0.126 0.000 2.493 174 Q HA -0.138 4.202 4.340 -0.000 0.000 0.278 174 Q C 0.085 175.799 176.000 -0.478 0.000 1.216 174 Q CA 1.447 57.154 55.803 -0.160 0.000 0.875 174 Q CB -2.013 26.721 28.738 -0.007 0.000 1.262 174 Q HN 0.929 nan 8.270 nan 0.000 0.468 175 T N -4.056 110.091 114.554 -0.679 0.000 3.176 175 T HA 0.471 4.821 4.350 -0.000 0.000 0.263 175 T C 1.016 174.898 174.700 -1.363 0.000 1.021 175 T CA 0.670 62.017 62.100 -1.256 0.000 0.905 175 T CB 0.855 69.355 68.868 -0.613 0.000 1.057 175 T HN 0.965 nan 8.240 nan 0.000 0.558 176 G N 1.845 110.100 108.800 -0.908 0.000 2.203 176 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.231 176 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.231 176 G C 0.612 175.388 174.900 -0.207 0.000 1.058 176 G CA 0.236 45.123 45.100 -0.355 0.000 0.781 176 G HN 0.528 nan 8.290 nan 0.000 0.496 177 K N -0.985 119.295 120.400 -0.201 0.000 2.076 177 K HA 0.021 4.341 4.320 -0.000 0.000 0.204 177 K C 2.546 179.111 176.600 -0.059 0.000 1.051 177 K CA 1.459 57.673 56.287 -0.121 0.000 0.949 177 K CB -0.099 32.333 32.500 -0.113 0.000 0.726 177 K HN 0.297 nan 8.250 nan 0.000 0.443 178 T N 1.178 115.709 114.554 -0.040 0.000 2.770 178 T HA -0.070 4.280 4.350 -0.000 0.000 0.263 178 T C 1.932 176.619 174.700 -0.021 0.000 1.039 178 T CA 1.184 63.291 62.100 0.012 0.000 1.142 178 T CB -0.232 68.661 68.868 0.042 0.000 0.868 178 T HN 0.297 nan 8.240 nan 0.000 0.435 179 A N 1.190 123.975 122.820 -0.058 0.000 1.894 179 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 179 A C 2.512 180.038 177.584 -0.096 0.000 1.237 179 A CA 2.425 54.399 52.037 -0.106 0.000 0.660 179 A CB -1.390 17.566 19.000 -0.075 0.000 0.835 179 A HN 0.382 nan 8.150 nan 0.000 0.461 180 V N -0.483 119.397 119.914 -0.057 0.000 2.295 180 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 180 V C 3.043 179.121 176.094 -0.027 0.000 1.049 180 V CA 2.183 64.459 62.300 -0.040 0.000 1.024 180 V CB -1.433 30.373 31.823 -0.028 0.000 0.648 180 V HN 0.710 nan 8.190 nan 0.000 0.447 181 A N -0.204 122.611 122.820 -0.008 0.000 1.877 181 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 181 A C 2.178 179.770 177.584 0.013 0.000 1.186 181 A CA 2.127 54.177 52.037 0.021 0.000 0.620 181 A CB -0.634 18.411 19.000 0.076 0.000 0.822 181 A HN 0.426 nan 8.150 nan 0.000 0.443 182 L N 0.282 121.496 121.223 -0.015 0.000 2.017 182 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 182 L C 1.642 178.482 176.870 -0.051 0.000 1.073 182 L CA 2.600 57.410 54.840 -0.051 0.000 0.745 182 L CB -0.852 41.161 42.059 -0.076 0.000 0.894 182 L HN 0.381 nan 8.230 nan 0.000 0.432 183 D N -1.498 118.852 120.400 -0.084 0.000 2.221 183 D HA -0.164 4.476 4.640 -0.000 0.000 0.204 183 D C 2.004 178.300 176.300 -0.006 0.000 0.982 183 D CA 1.519 55.478 54.000 -0.068 0.000 0.857 183 D CB -0.018 40.724 40.800 -0.097 0.000 0.934 183 D HN 0.377 nan 8.370 nan 0.000 0.475 184 T N -0.269 114.286 114.554 0.001 0.000 2.896 184 T HA 0.054 4.404 4.350 -0.000 0.000 0.263 184 T C 2.060 176.789 174.700 0.049 0.000 1.050 184 T CA 0.280 62.392 62.100 0.020 0.000 1.140 184 T CB 0.000 68.870 68.868 0.003 0.000 0.877 184 T HN 0.129 nan 8.240 nan 0.000 0.457 185 I N 1.111 121.713 120.570 0.054 0.000 2.179 185 I HA -0.141 4.029 4.170 -0.000 0.000 0.242 185 I C 2.117 178.347 176.117 0.187 0.000 1.088 185 I CA 1.240 62.609 61.300 0.115 0.000 1.357 185 I CB -0.416 37.620 38.000 0.061 0.000 1.051 185 I HN 0.187 nan 8.210 nan 0.000 0.409 186 L N 0.468 121.756 121.223 0.108 0.000 2.046 186 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 186 L C 2.288 179.259 176.870 0.170 0.000 1.077 186 L CA 1.809 56.730 54.840 0.134 0.000 0.747 186 L CB -1.021 41.064 42.059 0.042 0.000 0.896 186 L HN 0.348 nan 8.230 nan 0.000 0.432 187 N N -0.374 118.402 118.700 0.127 0.000 2.364 187 N HA -0.213 4.527 4.740 -0.000 0.000 0.183 187 N C 1.901 177.509 175.510 0.163 0.000 1.022 187 N CA 0.865 53.993 53.050 0.130 0.000 0.883 187 N CB 0.024 38.580 38.487 0.113 0.000 0.965 187 N HN 0.226 nan 8.380 nan 0.000 0.438 188 Q N 0.469 120.347 119.800 0.131 0.000 2.364 188 Q HA -0.077 4.263 4.340 -0.000 0.000 0.207 188 Q C 1.566 177.503 176.000 -0.105 0.000 0.970 188 Q CA 0.656 56.479 55.803 0.033 0.000 0.888 188 Q CB -0.220 28.441 28.738 -0.129 0.000 0.951 188 Q HN 0.557 nan 8.270 nan 0.000 0.469 189 K N 0.872 121.269 120.400 -0.005 0.000 2.281 189 K HA -0.121 4.199 4.320 -0.000 0.000 0.203 189 K C 1.774 178.342 176.600 -0.053 0.000 1.046 189 K CA 0.712 57.007 56.287 0.014 0.000 0.938 189 K CB 0.112 32.727 32.500 0.192 0.000 0.737 189 K HN 0.086 nan 8.250 nan 0.000 0.458 190 R N -1.018 119.444 120.500 -0.063 0.000 2.200 190 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 190 R C 1.356 177.380 176.300 -0.459 0.000 1.127 190 R CA 1.222 57.142 56.100 -0.299 0.000 0.989 190 R CB 0.030 30.052 30.300 -0.462 0.000 0.869 190 R HN 0.437 nan 8.270 nan 0.000 0.459 191 W N -0.978 120.228 121.300 -0.156 0.000 2.865 191 W HA 0.196 4.856 4.660 -0.000 0.000 0.300 191 W C 0.886 177.282 176.519 -0.205 0.000 1.096 191 W CA -0.393 56.858 57.345 -0.157 0.000 1.524 191 W CB 0.161 29.528 29.460 -0.155 0.000 0.991 191 W HN 0.041 nan 8.180 nan 0.000 0.571 192 N N 0.663 119.286 118.700 -0.129 0.000 2.412 192 N HA -0.023 4.717 4.740 -0.000 0.000 0.184 192 N C 0.290 175.740 175.510 -0.101 0.000 1.101 192 N CA 0.673 53.568 53.050 -0.259 0.000 0.881 192 N CB -0.210 37.862 38.487 -0.692 0.000 0.969 192 N HN 0.196 nan 8.380 nan 0.000 0.459 193 N N 0.660 119.325 118.700 -0.058 0.000 2.671 193 N HA 0.199 4.939 4.740 -0.000 0.000 0.303 193 N C 0.123 175.622 175.510 -0.019 0.000 1.351 193 N CA -0.088 52.952 53.050 -0.017 0.000 0.991 193 N CB 1.083 39.562 38.487 -0.012 0.000 1.307 193 N HN 0.097 nan 8.380 nan 0.000 0.512 194 G N -0.904 107.894 108.800 -0.002 0.000 2.798 194 G HA2 0.283 4.243 3.960 -0.000 0.000 0.286 194 G HA3 0.283 4.243 3.960 -0.000 0.000 0.286 194 G C 0.366 175.290 174.900 0.040 0.000 1.389 194 G CA -0.310 44.797 45.100 0.011 0.000 0.894 194 G HN 0.073 nan 8.290 nan 0.000 0.488 195 S N -0.591 115.135 115.700 0.043 0.000 2.377 195 S HA 0.009 4.479 4.470 -0.000 0.000 0.223 195 S C 0.761 175.407 174.600 0.077 0.000 1.030 195 S CA 0.616 58.849 58.200 0.055 0.000 0.970 195 S CB -0.102 63.124 63.200 0.043 0.000 0.830 195 S HN 0.567 nan 8.310 nan 0.000 0.473 196 D N 1.982 122.433 120.400 0.084 0.000 2.363 196 D HA 0.096 4.736 4.640 -0.000 0.000 0.263 196 D C 0.942 177.322 176.300 0.133 0.000 1.258 196 D CA 0.070 54.132 54.000 0.104 0.000 0.907 196 D CB 0.521 41.389 40.800 0.112 0.000 1.107 196 D HN 0.042 nan 8.370 nan 0.000 0.495 197 E N 1.426 121.709 120.200 0.139 0.000 2.072 197 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 197 E C 1.818 178.546 176.600 0.213 0.000 0.985 197 E CA 0.888 57.398 56.400 0.183 0.000 0.801 197 E CB -0.270 29.519 29.700 0.148 0.000 0.750 197 E HN 0.574 nan 8.360 nan 0.000 0.452 198 S N 0.295 116.108 115.700 0.188 0.000 2.547 198 S HA -0.011 4.459 4.470 -0.000 0.000 0.235 198 S C 1.584 176.286 174.600 0.170 0.000 0.980 198 S CA 0.654 59.010 58.200 0.260 0.000 0.941 198 S CB 0.101 63.416 63.200 0.192 0.000 0.763 198 S HN -0.007 nan 8.310 nan 0.000 0.532 199 K N 0.863 121.347 120.400 0.140 0.000 2.348 199 K HA 0.277 4.597 4.320 -0.000 0.000 0.194 199 K C 0.254 176.873 176.600 0.031 0.000 1.052 199 K CA 0.175 56.508 56.287 0.076 0.000 1.004 199 K CB 0.171 32.831 32.500 0.268 0.000 0.873 199 K HN 0.424 nan 8.250 nan 0.000 0.523 200 K N 1.282 121.749 120.400 0.112 0.000 2.382 200 K HA 0.088 4.408 4.320 -0.000 0.000 0.275 200 K C -0.425 176.175 176.600 -0.001 0.000 1.009 200 K CA -0.179 56.118 56.287 0.016 0.000 0.970 200 K CB 0.555 33.056 32.500 0.002 0.000 0.934 200 K HN -0.161 nan 8.250 nan 0.000 0.479 201 L N 4.233 125.359 121.223 -0.161 0.000 2.372 201 L HA 0.313 4.652 4.340 -0.000 0.000 0.273 201 L C -1.444 175.313 176.870 -0.189 0.000 0.989 201 L CA -0.447 54.335 54.840 -0.097 0.000 0.841 201 L CB 0.629 42.593 42.059 -0.159 0.000 1.225 201 L HN 0.441 nan 8.230 nan 0.000 0.414 202 Y N 2.853 123.094 120.300 -0.098 0.000 2.300 202 Y HA 0.448 4.998 4.550 -0.000 0.000 0.328 202 Y C 0.377 176.188 175.900 -0.150 0.000 1.270 202 Y CA -0.047 57.956 58.100 -0.162 0.000 1.352 202 Y CB 1.057 39.244 38.460 -0.456 0.000 1.286 202 Y HN 0.498 nan 8.280 nan 0.000 0.536 203 C N 2.288 121.635 119.300 0.079 0.000 2.351 203 C HA 0.708 5.168 4.460 -0.000 0.000 0.326 203 C C -0.604 174.372 174.990 -0.023 0.000 1.272 203 C CA -1.112 57.933 59.018 0.044 0.000 1.650 203 C CB 0.219 28.038 27.740 0.132 0.000 2.257 203 C HN 0.482 nan 8.230 nan 0.000 0.505 204 V N 3.548 123.431 119.914 -0.051 0.000 2.487 204 V HA 0.411 4.531 4.120 -0.000 0.000 0.298 204 V C -0.963 175.112 176.094 -0.032 0.000 1.028 204 V CA -0.643 61.629 62.300 -0.046 0.000 0.860 204 V CB 1.307 33.078 31.823 -0.087 0.000 0.991 204 V HN 0.818 nan 8.190 nan 0.000 0.427 205 Y N 4.691 124.918 120.300 -0.122 0.000 2.350 205 Y HA 0.728 5.278 4.550 -0.000 0.000 0.338 205 Y C -0.690 175.146 175.900 -0.108 0.000 0.961 205 Y CA -0.787 57.236 58.100 -0.130 0.000 1.100 205 Y CB 1.950 40.359 38.460 -0.085 0.000 1.179 205 Y HN 0.431 nan 8.280 nan 0.000 0.454 206 V N 5.833 125.422 119.914 -0.542 0.000 2.334 206 V HA 0.679 4.799 4.120 -0.000 0.000 0.281 206 V C -0.043 175.751 176.094 -0.500 0.000 1.016 206 V CA -0.772 61.318 62.300 -0.350 0.000 0.832 206 V CB 0.874 32.589 31.823 -0.179 0.000 0.999 206 V HN 0.941 nan 8.190 nan 0.000 0.439 207 A N 5.023 127.691 122.820 -0.252 0.000 2.279 207 A HA 0.704 5.024 4.320 -0.000 0.000 0.306 207 A C -0.348 177.217 177.584 -0.031 0.000 1.300 207 A CA -0.354 51.612 52.037 -0.117 0.000 0.925 207 A CB 0.524 19.601 19.000 0.128 0.000 1.152 207 A HN 0.721 nan 8.150 nan 0.000 0.544 208 V N 2.850 122.745 119.914 -0.032 0.000 2.313 208 V HA 0.569 4.689 4.120 -0.000 0.000 0.278 208 V C 1.207 177.323 176.094 0.038 0.000 1.017 208 V CA 0.580 62.889 62.300 0.016 0.000 0.823 208 V CB 0.572 32.406 31.823 0.018 0.000 1.010 208 V HN 1.715 nan 8.190 nan 0.000 0.443 209 G N 3.844 112.676 108.800 0.054 0.000 2.168 209 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.257 209 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.257 209 G C 0.234 175.166 174.900 0.053 0.000 0.997 209 G CA 0.334 45.469 45.100 0.059 0.000 0.708 209 G HN 0.620 nan 8.290 nan 0.000 0.520 210 Q N -0.194 119.637 119.800 0.052 0.000 2.368 210 Q HA 0.352 4.691 4.340 -0.000 0.000 0.237 210 Q C 0.526 176.560 176.000 0.056 0.000 0.987 210 Q CA -0.313 55.524 55.803 0.056 0.000 0.896 210 Q CB 0.649 29.431 28.738 0.073 0.000 1.241 210 Q HN 0.381 nan 8.270 nan 0.000 0.485 211 K N 1.716 122.148 120.400 0.052 0.000 2.447 211 K HA -0.078 4.242 4.320 -0.000 0.000 0.281 211 K C 0.971 177.600 176.600 0.049 0.000 1.031 211 K CA 0.177 56.492 56.287 0.046 0.000 1.019 211 K CB 0.470 32.995 32.500 0.041 0.000 0.918 211 K HN 0.497 nan 8.250 nan 0.000 0.476 212 R N 2.080 122.607 120.500 0.045 0.000 2.133 212 R HA -0.235 4.105 4.340 -0.000 0.000 0.247 212 R C 1.899 178.222 176.300 0.038 0.000 1.151 212 R CA 2.377 58.503 56.100 0.044 0.000 0.971 212 R CB -0.099 30.224 30.300 0.038 0.000 0.866 212 R HN 0.822 nan 8.270 nan 0.000 0.447 213 S N -0.582 115.138 115.700 0.033 0.000 2.353 213 S HA -0.162 4.308 4.470 -0.000 0.000 0.222 213 S C 1.931 176.549 174.600 0.030 0.000 1.035 213 S CA 1.912 60.129 58.200 0.028 0.000 1.025 213 S CB -0.880 62.335 63.200 0.026 0.000 0.902 213 S HN 0.357 nan 8.310 nan 0.000 0.440 214 T N 2.305 116.882 114.554 0.038 0.000 2.803 214 T HA -0.022 4.328 4.350 -0.000 0.000 0.269 214 T C 1.902 176.628 174.700 0.043 0.000 1.052 214 T CA 1.294 63.419 62.100 0.042 0.000 1.136 214 T CB -0.619 68.281 68.868 0.053 0.000 0.864 214 T HN 0.313 nan 8.240 nan 0.000 0.467 215 V N 1.667 121.614 119.914 0.055 0.000 2.307 215 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 215 V C 2.947 179.051 176.094 0.017 0.000 1.045 215 V CA 1.521 63.856 62.300 0.060 0.000 1.024 215 V CB -1.275 30.602 31.823 0.089 0.000 0.651 215 V HN 0.522 nan 8.190 nan 0.000 0.449 216 A N -0.520 122.310 122.820 0.017 0.000 1.933 216 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 216 A C 2.199 179.778 177.584 -0.009 0.000 1.175 216 A CA 1.881 53.919 52.037 0.003 0.000 0.628 216 A CB -0.464 18.541 19.000 0.008 0.000 0.814 216 A HN 0.634 nan 8.150 nan 0.000 0.444 217 Q N -1.235 118.564 119.800 -0.002 0.000 2.167 217 Q HA -0.030 4.310 4.340 -0.000 0.000 0.202 217 Q C 1.955 177.943 176.000 -0.019 0.000 0.970 217 Q CA 1.229 57.029 55.803 -0.005 0.000 0.855 217 Q CB -0.200 28.544 28.738 0.010 0.000 0.911 217 Q HN 0.602 nan 8.270 nan 0.000 0.438 218 L N -0.114 121.089 121.223 -0.034 0.000 2.395 218 L HA -0.067 4.273 4.340 -0.000 0.000 0.218 218 L C 1.903 178.699 176.870 -0.122 0.000 1.130 218 L CA 0.526 55.314 54.840 -0.086 0.000 0.826 218 L CB 0.192 42.166 42.059 -0.142 0.000 0.941 218 L HN -0.012 nan 8.230 nan 0.000 0.451 219 V N -0.726 119.137 119.914 -0.085 0.000 2.548 219 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 219 V C 2.430 178.484 176.094 -0.067 0.000 1.055 219 V CA 1.631 63.883 62.300 -0.081 0.000 1.065 219 V CB -0.110 31.685 31.823 -0.047 0.000 0.681 219 V HN 0.511 nan 8.190 nan 0.000 0.462 220 Q N 0.150 119.920 119.800 -0.049 0.000 2.123 220 Q HA -0.139 4.201 4.340 -0.000 0.000 0.199 220 Q C 2.092 178.071 176.000 -0.035 0.000 0.966 220 Q CA 2.192 57.971 55.803 -0.039 0.000 0.845 220 Q CB -0.441 28.279 28.738 -0.030 0.000 0.907 220 Q HN 0.612 nan 8.270 nan 0.000 0.439 221 T N 0.389 114.921 114.554 -0.035 0.000 3.085 221 T HA 0.057 4.407 4.350 -0.000 0.000 0.263 221 T C 1.416 176.121 174.700 0.008 0.000 1.127 221 T CA 0.561 62.657 62.100 -0.007 0.000 1.103 221 T CB 0.030 68.874 68.868 -0.040 0.000 0.921 221 T HN 0.203 nan 8.240 nan 0.000 0.510 222 L N 0.288 121.476 121.223 -0.058 0.000 2.270 222 L HA 0.155 4.495 4.340 -0.000 0.000 0.210 222 L C 2.637 179.463 176.870 -0.073 0.000 1.104 222 L CA 0.772 55.558 54.840 -0.091 0.000 0.804 222 L CB -0.238 41.724 42.059 -0.162 0.000 0.937 222 L HN 0.123 nan 8.230 nan 0.000 0.450 223 E N 0.264 120.429 120.200 -0.058 0.000 2.208 223 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 223 E C 2.148 178.725 176.600 -0.038 0.000 0.988 223 E CA 1.071 57.439 56.400 -0.053 0.000 0.828 223 E CB 0.176 29.847 29.700 -0.049 0.000 0.763 223 E HN 0.401 nan 8.360 nan 0.000 0.478 224 Q N -1.260 118.531 119.800 -0.015 0.000 2.089 224 Q HA -0.044 4.296 4.340 -0.000 0.000 0.195 224 Q C 1.247 177.188 176.000 -0.098 0.000 0.963 224 Q CA 1.115 56.884 55.803 -0.056 0.000 0.834 224 Q CB 0.053 28.754 28.738 -0.062 0.000 0.906 224 Q HN 0.414 nan 8.270 nan 0.000 0.452 225 H N 0.098 119.120 119.070 -0.081 0.000 2.539 225 H HA 0.039 4.595 4.556 -0.000 0.000 0.267 225 H C -0.470 174.840 175.328 -0.031 0.000 0.982 225 H CA 0.569 56.589 56.048 -0.047 0.000 1.146 225 H CB 0.203 29.953 29.762 -0.020 0.000 1.382 225 H HN 0.167 nan 8.280 nan 0.000 0.577 226 D N -0.644 119.774 120.400 0.030 0.000 2.699 226 D HA -0.206 4.433 4.640 -0.000 0.000 0.239 226 D C 1.006 177.264 176.300 -0.071 0.000 1.136 226 D CA 0.650 54.639 54.000 -0.018 0.000 0.668 226 D CB -1.100 39.703 40.800 0.005 0.000 1.060 226 D HN 0.487 nan 8.370 nan 0.000 0.429 227 A N 0.071 122.775 122.820 -0.194 0.000 1.956 227 A HA 0.064 4.384 4.320 -0.000 0.000 0.212 227 A C 2.062 179.124 177.584 -0.870 0.000 1.188 227 A CA 1.233 52.891 52.037 -0.632 0.000 0.675 227 A CB -0.245 18.552 19.000 -0.339 0.000 0.845 227 A HN 0.342 nan 8.150 nan 0.000 0.455 228 M N 1.544 120.900 119.600 -0.406 0.000 2.153 228 M HA -0.302 4.178 4.480 -0.000 0.000 0.253 228 M C 1.987 178.135 176.300 -0.252 0.000 1.081 228 M CA 2.385 57.518 55.300 -0.278 0.000 1.076 228 M CB -0.584 31.924 32.600 -0.152 0.000 1.350 228 M HN 0.584 nan 8.290 nan 0.000 0.401 229 K N -0.900 119.354 120.400 -0.242 0.000 2.103 229 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 229 K C 1.358 177.960 176.600 0.003 0.000 1.048 229 K CA 2.116 58.354 56.287 -0.082 0.000 0.930 229 K CB -0.983 31.518 32.500 0.002 0.000 0.716 229 K HN 0.654 nan 8.250 nan 0.000 0.444 230 Y N 0.549 120.859 120.300 0.017 0.000 2.467 230 Y HA 0.356 4.906 4.550 -0.000 0.000 0.250 230 Y C 0.222 176.141 175.900 0.031 0.000 1.155 230 Y CA -0.854 57.258 58.100 0.020 0.000 1.249 230 Y CB -0.040 38.352 38.460 -0.114 0.000 1.146 230 Y HN 0.066 nan 8.280 nan 0.000 0.524 231 S N 0.857 116.502 115.700 -0.091 0.000 2.593 231 S HA 0.748 5.218 4.470 -0.000 0.000 0.297 231 S C -0.766 173.832 174.600 -0.003 0.000 1.112 231 S CA -0.702 57.479 58.200 -0.031 0.000 1.043 231 S CB 1.867 64.989 63.200 -0.131 0.000 1.054 231 S HN 0.246 nan 8.310 nan 0.000 0.516 232 I N 2.114 122.696 120.570 0.021 0.000 2.436 232 I HA 0.362 4.532 4.170 -0.000 0.000 0.289 232 I C -0.936 175.213 176.117 0.054 0.000 1.010 232 I CA -0.878 60.442 61.300 0.034 0.000 1.098 232 I CB 1.626 39.654 38.000 0.047 0.000 1.266 232 I HN 0.499 nan 8.210 nan 0.000 0.434 233 I N 7.163 127.765 120.570 0.054 0.000 2.321 233 I HA 0.370 4.540 4.170 -0.000 0.000 0.291 233 I C -0.139 176.026 176.117 0.080 0.000 0.998 233 I CA -0.762 60.601 61.300 0.105 0.000 1.227 233 I CB 1.355 39.401 38.000 0.076 0.000 1.368 233 I HN 0.145 nan 8.210 nan 0.000 0.466 234 V N 5.623 125.586 119.914 0.082 0.000 2.376 234 V HA 0.766 4.886 4.120 -0.000 0.000 0.287 234 V C 0.195 176.314 176.094 0.042 0.000 1.015 234 V CA -0.582 61.744 62.300 0.043 0.000 0.834 234 V CB 1.457 33.291 31.823 0.018 0.000 1.001 234 V HN 0.879 nan 8.190 nan 0.000 0.428 235 A N 3.887 126.736 122.820 0.050 0.000 2.371 235 A HA 0.964 5.284 4.320 -0.000 0.000 0.311 235 A C -0.217 177.397 177.584 0.050 0.000 1.068 235 A CA -0.386 51.683 52.037 0.053 0.000 0.744 235 A CB 1.779 20.823 19.000 0.075 0.000 1.239 235 A HN 1.400 nan 8.150 nan 0.000 0.435 236 A N 2.198 125.051 122.820 0.054 0.000 2.409 236 A HA 0.672 4.992 4.320 -0.000 0.000 0.300 236 A C 0.312 177.939 177.584 0.070 0.000 1.273 236 A CA 0.160 52.239 52.037 0.070 0.000 0.774 236 A CB 0.089 19.142 19.000 0.089 0.000 1.144 236 A HN 1.612 nan 8.150 nan 0.000 0.472 237 T N -0.656 113.938 114.554 0.067 0.000 2.788 237 T HA 0.526 4.876 4.350 -0.000 0.000 0.280 237 T C 1.580 176.318 174.700 0.063 0.000 0.984 237 T CA 0.217 62.354 62.100 0.062 0.000 0.972 237 T CB 0.977 69.878 68.868 0.056 0.000 1.039 237 T HN 1.366 nan 8.240 nan 0.000 0.530 238 A N 1.010 123.864 122.820 0.057 0.000 1.958 238 A HA -0.102 4.218 4.320 -0.000 0.000 0.221 238 A C 2.458 180.073 177.584 0.053 0.000 1.178 238 A CA 2.486 54.556 52.037 0.054 0.000 0.642 238 A CB -1.434 17.595 19.000 0.047 0.000 0.816 238 A HN 1.273 nan 8.150 nan 0.000 0.453 239 S N -0.881 114.848 115.700 0.050 0.000 2.556 239 S HA 0.202 4.672 4.470 -0.000 0.000 0.216 239 S C 0.285 174.917 174.600 0.052 0.000 0.970 239 S CA -0.347 57.880 58.200 0.045 0.000 0.912 239 S CB -0.009 63.214 63.200 0.038 0.000 0.790 239 S HN 0.623 nan 8.310 nan 0.000 0.504 240 E N 1.652 121.891 120.200 0.064 0.000 2.319 240 E HA 0.575 4.925 4.350 -0.000 0.000 0.268 240 E C 0.096 176.750 176.600 0.090 0.000 1.050 240 E CA -0.531 55.917 56.400 0.078 0.000 0.878 240 E CB 0.995 30.749 29.700 0.090 0.000 1.066 240 E HN 0.430 nan 8.360 nan 0.000 0.406 241 A N 1.660 124.540 122.820 0.100 0.000 2.609 241 A HA 0.061 4.381 4.320 -0.000 0.000 0.232 241 A C 1.229 178.889 177.584 0.127 0.000 1.041 241 A CA 0.832 52.929 52.037 0.100 0.000 0.753 241 A CB 0.143 19.210 19.000 0.111 0.000 0.966 241 A HN 0.814 nan 8.150 nan 0.000 0.510 242 A N 3.654 126.532 122.820 0.097 0.000 1.902 242 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 242 A C -0.131 177.577 177.584 0.207 0.000 1.181 242 A CA 1.873 53.986 52.037 0.127 0.000 0.623 242 A CB -1.501 17.545 19.000 0.076 0.000 0.818 242 A HN 0.640 nan 8.150 nan 0.000 0.443 243 P HA -0.115 nan 4.420 nan 0.000 0.219 243 P C 1.356 178.980 177.300 0.540 0.000 1.146 243 P CA 0.736 64.004 63.100 0.280 0.000 0.808 243 P CB -0.104 31.498 31.700 -0.163 0.000 0.779 244 L N -0.912 120.580 121.223 0.449 0.000 2.005 244 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 244 L C 2.586 179.613 176.870 0.263 0.000 1.072 244 L CA 1.624 56.700 54.840 0.393 0.000 0.744 244 L CB -1.003 41.227 42.059 0.284 0.000 0.895 244 L HN -0.010 nan 8.230 nan 0.000 0.433 245 Q N -0.991 118.947 119.800 0.232 0.000 2.124 245 Q HA -0.262 4.078 4.340 -0.000 0.000 0.202 245 Q C 2.082 178.211 176.000 0.216 0.000 0.977 245 Q CA 1.927 57.840 55.803 0.183 0.000 0.850 245 Q CB -0.370 28.465 28.738 0.163 0.000 0.901 245 Q HN 0.545 nan 8.270 nan 0.000 0.429 246 Y N 1.098 121.515 120.300 0.195 0.000 2.181 246 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 246 Y C 1.886 177.967 175.900 0.301 0.000 1.146 246 Y CA 1.190 59.432 58.100 0.237 0.000 1.164 246 Y CB -0.229 38.409 38.460 0.297 0.000 0.982 246 Y HN 0.108 nan 8.280 nan 0.000 0.515 247 L N 0.982 122.153 121.223 -0.087 0.000 2.095 247 L HA 0.135 4.475 4.340 -0.000 0.000 0.204 247 L C 2.538 179.414 176.870 0.010 0.000 1.080 247 L CA 1.792 56.551 54.840 -0.135 0.000 0.759 247 L CB -1.390 40.738 42.059 0.116 0.000 0.914 247 L HN 0.289 nan 8.230 nan 0.000 0.439 248 A N 0.709 123.546 122.820 0.027 0.000 1.882 248 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 248 A C 0.162 177.741 177.584 -0.008 0.000 1.253 248 A CA 2.739 54.786 52.037 0.018 0.000 0.664 248 A CB -2.366 16.651 19.000 0.029 0.000 0.838 248 A HN 0.456 nan 8.150 nan 0.000 0.460 249 P HA -0.133 nan 4.420 nan 0.000 0.216 249 P C 1.024 178.218 177.300 -0.178 0.000 1.150 249 P CA 1.224 64.259 63.100 -0.108 0.000 0.843 249 P CB -0.198 31.195 31.700 -0.512 0.000 0.787 250 F N -0.342 119.550 119.950 -0.097 0.000 2.186 250 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 250 F C 2.444 178.217 175.800 -0.044 0.000 1.090 250 F CA 1.840 59.776 58.000 -0.106 0.000 1.307 250 F CB -1.863 37.018 39.000 -0.198 0.000 1.019 250 F HN 0.001 nan 8.300 nan 0.000 0.489 251 T N -2.209 112.420 114.554 0.124 0.000 2.809 251 T HA 0.005 4.354 4.350 -0.000 0.000 0.260 251 T C 2.179 176.921 174.700 0.070 0.000 1.039 251 T CA 0.820 62.964 62.100 0.074 0.000 1.141 251 T CB -0.877 68.010 68.868 0.032 0.000 0.869 251 T HN 0.143 nan 8.240 nan 0.000 0.437 252 A N 1.476 124.332 122.820 0.060 0.000 2.125 252 A HA 0.443 4.763 4.320 -0.000 0.000 0.219 252 A C 2.637 180.262 177.584 0.067 0.000 1.156 252 A CA 1.473 53.540 52.037 0.050 0.000 0.671 252 A CB -1.112 17.899 19.000 0.018 0.000 0.794 252 A HN 0.740 nan 8.150 nan 0.000 0.459 253 A N -0.594 122.289 122.820 0.105 0.000 1.930 253 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 253 A C 2.379 180.034 177.584 0.118 0.000 1.176 253 A CA 1.685 53.795 52.037 0.122 0.000 0.632 253 A CB -0.646 18.430 19.000 0.127 0.000 0.819 253 A HN 0.429 nan 8.150 nan 0.000 0.445 254 S N 0.101 115.870 115.700 0.116 0.000 2.383 254 S HA -0.088 4.382 4.470 -0.000 0.000 0.227 254 S C 1.756 176.451 174.600 0.158 0.000 1.026 254 S CA 1.370 59.643 58.200 0.122 0.000 0.981 254 S CB -0.468 62.791 63.200 0.098 0.000 0.818 254 S HN 0.547 nan 8.310 nan 0.000 0.472 255 I N 1.462 122.120 120.570 0.147 0.000 2.226 255 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 255 I C 2.643 178.969 176.117 0.349 0.000 1.100 255 I CA 1.257 62.670 61.300 0.189 0.000 1.374 255 I CB -0.700 37.377 38.000 0.128 0.000 1.057 255 I HN 0.377 nan 8.210 nan 0.000 0.413 256 G N -0.188 108.769 108.800 0.261 0.000 2.484 256 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 256 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 256 G C 1.500 176.619 174.900 0.364 0.000 1.130 256 G CA 0.166 45.439 45.100 0.287 0.000 0.784 256 G HN 0.372 nan 8.290 nan 0.000 0.543 257 E N -0.657 119.699 120.200 0.261 0.000 2.150 257 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 257 E C 1.904 178.614 176.600 0.183 0.000 0.985 257 E CA 0.437 56.948 56.400 0.185 0.000 0.814 257 E CB -0.175 29.602 29.700 0.128 0.000 0.752 257 E HN 0.654 nan 8.360 nan 0.000 0.466 258 W N 0.541 121.869 121.300 0.047 0.000 2.338 258 W HA -0.256 4.404 4.660 -0.000 0.000 0.304 258 W C 1.520 177.931 176.519 -0.181 0.000 1.212 258 W CA 1.693 58.973 57.345 -0.108 0.000 1.264 258 W CB -0.338 28.985 29.460 -0.229 0.000 1.142 258 W HN 0.004 nan 8.180 nan 0.000 0.512 259 F N 0.077 120.163 119.950 0.227 0.000 2.075 259 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 259 F C 2.787 178.498 175.800 -0.149 0.000 1.113 259 F CA 2.193 60.203 58.000 0.017 0.000 1.218 259 F CB -1.314 37.691 39.000 0.008 0.000 0.984 259 F HN -0.232 nan 8.300 nan 0.000 0.472 260 R N 0.718 121.299 120.500 0.135 0.000 2.096 260 R HA -0.204 4.136 4.340 -0.000 0.000 0.240 260 R C 1.480 177.729 176.300 -0.086 0.000 1.139 260 R CA 2.310 58.425 56.100 0.025 0.000 0.952 260 R CB -0.569 29.770 30.300 0.065 0.000 0.854 260 R HN 0.198 nan 8.270 nan 0.000 0.436 261 D N 0.094 120.409 120.400 -0.141 0.000 2.312 261 D HA -0.051 4.589 4.640 -0.000 0.000 0.211 261 D C 0.116 176.220 176.300 -0.326 0.000 0.964 261 D CA 0.798 54.673 54.000 -0.209 0.000 0.877 261 D CB -0.028 40.649 40.800 -0.205 0.000 0.924 261 D HN 0.178 nan 8.370 nan 0.000 0.515 262 N N -0.137 118.286 118.700 -0.463 0.000 2.635 262 N HA 0.232 4.972 4.740 -0.000 0.000 0.307 262 N C 0.787 176.092 175.510 -0.342 0.000 1.433 262 N CA 0.118 52.862 53.050 -0.511 0.000 0.973 262 N CB 1.011 38.932 38.487 -0.942 0.000 1.304 262 N HN 0.070 nan 8.380 nan 0.000 0.507 263 G N 0.617 109.269 108.800 -0.247 0.000 2.186 263 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.266 263 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.266 263 G C 0.312 175.020 174.900 -0.321 0.000 0.982 263 G CA 0.937 45.913 45.100 -0.206 0.000 0.670 263 G HN 0.393 nan 8.290 nan 0.000 0.533 264 K N -0.589 119.596 120.400 -0.358 0.000 2.316 264 K HA 0.761 5.081 4.320 -0.000 0.000 0.234 264 K C -0.219 176.089 176.600 -0.486 0.000 1.054 264 K CA -0.989 55.039 56.287 -0.431 0.000 0.879 264 K CB 1.082 33.529 32.500 -0.090 0.000 1.252 264 K HN 0.319 nan 8.250 nan 0.000 0.471 265 H N -0.608 118.580 119.070 0.196 0.000 2.637 265 H HA 0.662 5.218 4.556 -0.000 0.000 0.363 265 H C -1.127 174.299 175.328 0.163 0.000 1.131 265 H CA -1.005 55.124 56.048 0.135 0.000 1.183 265 H CB 1.977 31.769 29.762 0.051 0.000 1.637 265 H HN 0.683 nan 8.280 nan 0.000 0.531 266 A N 2.278 125.199 122.820 0.169 0.000 2.469 266 A HA 0.584 4.904 4.320 -0.000 0.000 0.299 266 A C -1.462 176.123 177.584 0.001 0.000 1.098 266 A CA -0.712 51.335 52.037 0.017 0.000 0.737 266 A CB 2.075 20.980 19.000 -0.157 0.000 1.312 266 A HN 0.469 nan 8.150 nan 0.000 0.414 267 L N 1.813 123.012 121.223 -0.040 0.000 2.372 267 L HA 0.736 5.076 4.340 -0.000 0.000 0.274 267 L C -1.015 175.800 176.870 -0.092 0.000 0.988 267 L CA -0.326 54.481 54.840 -0.055 0.000 0.833 267 L CB 1.083 43.112 42.059 -0.049 0.000 1.236 267 L HN 0.712 nan 8.230 nan 0.000 0.410 268 I N 5.114 125.599 120.570 -0.142 0.000 2.437 268 I HA 0.673 4.843 4.170 -0.000 0.000 0.298 268 I C -1.166 174.705 176.117 -0.411 0.000 0.984 268 I CA -0.604 60.525 61.300 -0.287 0.000 1.214 268 I CB 1.649 39.435 38.000 -0.356 0.000 1.365 268 I HN 0.445 nan 8.210 nan 0.000 0.469 269 V N 7.379 126.991 119.914 -0.504 0.000 2.531 269 V HA 0.323 4.443 4.120 -0.000 0.000 0.301 269 V C -1.342 174.357 176.094 -0.659 0.000 1.034 269 V CA -0.455 61.574 62.300 -0.452 0.000 0.865 269 V CB 1.582 33.312 31.823 -0.154 0.000 0.995 269 V HN 0.509 nan 8.190 nan 0.000 0.424 270 Y N 2.279 122.447 120.300 -0.221 0.000 2.717 270 Y HA 0.484 5.033 4.550 -0.000 0.000 0.329 270 Y C 0.153 175.909 175.900 -0.241 0.000 1.017 270 Y CA -0.977 56.974 58.100 -0.248 0.000 1.275 270 Y CB 0.786 39.116 38.460 -0.217 0.000 1.109 270 Y HN 0.517 nan 8.280 nan 0.000 0.511 271 D N 3.208 123.480 120.400 -0.214 0.000 2.462 271 D HA 0.172 4.812 4.640 -0.000 0.000 0.249 271 D C -1.143 175.093 176.300 -0.107 0.000 1.117 271 D CA -0.286 53.613 54.000 -0.168 0.000 0.900 271 D CB 0.386 41.055 40.800 -0.219 0.000 1.039 271 D HN 0.602 nan 8.370 nan 0.000 0.516 272 D N 1.223 121.598 120.400 -0.042 0.000 2.523 272 D HA 0.181 4.821 4.640 -0.000 0.000 0.236 272 D C 0.823 177.109 176.300 -0.023 0.000 1.094 272 D CA -0.712 53.267 54.000 -0.034 0.000 0.942 272 D CB 0.998 41.783 40.800 -0.025 0.000 1.447 272 D HN 0.141 nan 8.370 nan 0.000 0.479 273 L N 0.362 121.547 121.223 -0.063 0.000 2.240 273 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 273 L C 2.106 178.980 176.870 0.007 0.000 1.106 273 L CA 0.630 55.416 54.840 -0.091 0.000 0.793 273 L CB -0.355 41.491 42.059 -0.354 0.000 0.927 273 L HN 0.388 nan 8.230 nan 0.000 0.446 274 S N 0.383 116.080 115.700 -0.005 0.000 2.359 274 S HA -0.241 4.229 4.470 -0.000 0.000 0.223 274 S C 1.874 176.546 174.600 0.120 0.000 1.039 274 S CA 1.553 59.791 58.200 0.063 0.000 1.042 274 S CB -0.182 63.047 63.200 0.049 0.000 0.915 274 S HN 0.390 nan 8.310 nan 0.000 0.439 275 K N 0.838 121.291 120.400 0.089 0.000 2.365 275 K HA -0.014 4.306 4.320 -0.000 0.000 0.199 275 K C 2.391 179.067 176.600 0.128 0.000 1.045 275 K CA 0.544 56.892 56.287 0.102 0.000 0.962 275 K CB -0.061 32.482 32.500 0.071 0.000 0.759 275 K HN 0.368 nan 8.250 nan 0.000 0.469 276 Q N 0.589 120.466 119.800 0.128 0.000 2.049 276 Q HA -0.079 4.261 4.340 -0.000 0.000 0.198 276 Q C 2.039 178.175 176.000 0.228 0.000 0.971 276 Q CA 1.281 57.179 55.803 0.158 0.000 0.833 276 Q CB -0.026 28.772 28.738 0.101 0.000 0.896 276 Q HN 0.307 nan 8.270 nan 0.000 0.434 277 A N 0.149 123.117 122.820 0.247 0.000 2.019 277 A HA -0.102 4.217 4.320 -0.000 0.000 0.219 277 A C 2.167 180.015 177.584 0.440 0.000 1.164 277 A CA 1.261 53.473 52.037 0.292 0.000 0.644 277 A CB -0.499 18.628 19.000 0.211 0.000 0.805 277 A HN 0.289 nan 8.150 nan 0.000 0.449 278 V N -0.305 119.808 119.914 0.331 0.000 2.358 278 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 278 V C 3.022 179.226 176.094 0.182 0.000 1.047 278 V CA 1.888 64.330 62.300 0.238 0.000 1.035 278 V CB -1.129 30.788 31.823 0.157 0.000 0.658 278 V HN 0.603 nan 8.190 nan 0.000 0.452 279 A N -1.198 121.742 122.820 0.200 0.000 1.930 279 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 279 A C 2.153 179.854 177.584 0.195 0.000 1.175 279 A CA 1.765 53.910 52.037 0.179 0.000 0.627 279 A CB -0.687 18.437 19.000 0.207 0.000 0.815 279 A HN 0.587 nan 8.150 nan 0.000 0.443 280 Y N 0.392 120.765 120.300 0.122 0.000 2.145 280 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 280 Y C 2.524 178.443 175.900 0.030 0.000 1.145 280 Y CA 2.018 60.148 58.100 0.050 0.000 1.148 280 Y CB -0.444 38.073 38.460 0.095 0.000 0.981 280 Y HN 0.328 nan 8.280 nan 0.000 0.507 281 R N 0.324 120.901 120.500 0.129 0.000 2.117 281 R HA -0.282 4.058 4.340 -0.000 0.000 0.243 281 R C 2.433 178.676 176.300 -0.095 0.000 1.143 281 R CA 2.028 58.129 56.100 0.001 0.000 0.968 281 R CB -0.419 29.873 30.300 -0.014 0.000 0.863 281 R HN 0.586 nan 8.270 nan 0.000 0.444 282 Q N 0.439 120.206 119.800 -0.055 0.000 2.002 282 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 282 Q C 2.205 178.136 176.000 -0.116 0.000 0.988 282 Q CA 1.843 57.606 55.803 -0.066 0.000 0.843 282 Q CB -0.212 28.512 28.738 -0.022 0.000 0.908 282 Q HN 0.492 nan 8.270 nan 0.000 0.420 283 L N 0.316 121.443 121.223 -0.161 0.000 2.017 283 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 283 L C 2.418 179.117 176.870 -0.286 0.000 1.073 283 L CA 1.660 56.362 54.840 -0.229 0.000 0.745 283 L CB -0.405 41.475 42.059 -0.298 0.000 0.894 283 L HN 0.331 nan 8.230 nan 0.000 0.432 284 S N 0.191 115.651 115.700 -0.400 0.000 2.365 284 S HA -0.213 4.256 4.470 -0.000 0.000 0.225 284 S C 1.852 176.340 174.600 -0.187 0.000 1.039 284 S CA 1.499 59.492 58.200 -0.346 0.000 1.033 284 S CB -0.349 62.623 63.200 -0.380 0.000 0.887 284 S HN 0.381 nan 8.310 nan 0.000 0.447 285 L N 0.736 121.870 121.223 -0.148 0.000 2.201 285 L HA -0.026 4.314 4.340 -0.000 0.000 0.212 285 L C 2.151 178.967 176.870 -0.089 0.000 1.105 285 L CA 0.699 55.480 54.840 -0.099 0.000 0.775 285 L CB -0.505 41.502 42.059 -0.086 0.000 0.913 285 L HN 0.270 nan 8.230 nan 0.000 0.440 286 L N -0.503 120.659 121.223 -0.102 0.000 2.072 286 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 286 L C 2.149 178.969 176.870 -0.084 0.000 1.079 286 L CA 0.968 55.757 54.840 -0.086 0.000 0.752 286 L CB -0.239 41.767 42.059 -0.089 0.000 0.906 286 L HN 0.242 nan 8.230 nan 0.000 0.436 287 L N -0.230 120.929 121.223 -0.107 0.000 2.622 287 L HA -0.015 4.325 4.340 -0.000 0.000 0.233 287 L C 0.512 177.339 176.870 -0.071 0.000 1.156 287 L CA 0.168 54.953 54.840 -0.092 0.000 0.866 287 L CB -0.433 41.556 42.059 -0.117 0.000 0.980 287 L HN 0.261 nan 8.230 nan 0.000 0.448 288 R N 0.424 120.883 120.500 -0.068 0.000 3.333 288 R HA -0.164 4.176 4.340 -0.000 0.000 0.256 288 R C -0.379 175.894 176.300 -0.046 0.000 1.010 288 R CA 0.401 56.471 56.100 -0.051 0.000 0.680 288 R CB -1.782 28.495 30.300 -0.038 0.000 1.102 288 R HN 0.385 nan 8.270 nan 0.000 0.440 289 R N 0.988 121.454 120.500 -0.058 0.000 2.265 289 R HA 0.245 4.585 4.340 -0.000 0.000 0.319 289 R C -2.161 174.121 176.300 -0.029 0.000 1.006 289 R CA -2.075 54.000 56.100 -0.042 0.000 0.880 289 R CB 0.755 31.023 30.300 -0.053 0.000 1.077 289 R HN -0.108 nan 8.270 nan 0.000 0.454 290 P HA -0.069 nan 4.420 nan 0.000 0.259 290 P C -2.213 175.090 177.300 0.005 0.000 1.155 290 P CA -0.355 62.742 63.100 -0.006 0.000 0.759 290 P CB -0.034 31.667 31.700 0.002 0.000 0.753 291 P HA 0.178 nan 4.420 nan 0.000 0.275 291 P C 0.268 177.581 177.300 0.021 0.000 1.227 291 P CA 0.102 63.208 63.100 0.011 0.000 0.781 291 P CB 1.315 33.005 31.700 -0.016 0.000 0.906 292 G N 2.455 111.286 108.800 0.052 0.000 3.099 292 G HA2 0.288 4.248 3.960 -0.000 0.000 0.151 292 G HA3 0.288 4.248 3.960 -0.000 0.000 0.151 292 G C -0.461 174.436 174.900 -0.005 0.000 1.265 292 G CA -0.800 44.314 45.100 0.023 0.000 0.981 292 G HN 0.581 nan 8.290 nan 0.000 0.601 293 R N 0.747 121.185 120.500 -0.103 0.000 2.486 293 R HA 0.063 4.403 4.340 -0.000 0.000 0.303 293 R C -0.042 176.282 176.300 0.039 0.000 0.958 293 R CA 1.016 57.009 56.100 -0.179 0.000 1.077 293 R CB -0.372 29.570 30.300 -0.597 0.000 0.921 293 R HN 0.698 nan 8.270 nan 0.000 0.406 294 E N 2.706 122.942 120.200 0.060 0.000 2.791 294 E HA -0.335 4.015 4.350 -0.000 0.000 0.271 294 E C 0.342 176.910 176.600 -0.053 0.000 1.044 294 E CA 0.510 56.969 56.400 0.098 0.000 0.814 294 E CB -1.349 28.543 29.700 0.321 0.000 1.400 294 E HN 0.928 nan 8.360 nan 0.000 0.423 295 A N -2.219 120.580 122.820 -0.035 0.000 3.396 295 A HA -0.306 4.014 4.320 -0.000 0.000 0.267 295 A C 0.116 177.660 177.584 -0.066 0.000 1.139 295 A CA 1.782 53.769 52.037 -0.084 0.000 1.115 295 A CB -1.889 17.025 19.000 -0.145 0.000 1.133 295 A HN 0.406 nan 8.150 nan 0.000 0.920 296 Y N 1.074 121.444 120.300 0.116 0.000 2.397 296 Y HA 0.428 4.978 4.550 -0.000 0.000 0.335 296 Y C -1.319 174.675 175.900 0.156 0.000 1.213 296 Y CA -1.090 57.114 58.100 0.175 0.000 1.391 296 Y CB 0.319 38.974 38.460 0.324 0.000 1.293 296 Y HN 0.254 nan 8.280 nan 0.000 0.557 297 P HA 0.014 nan 4.420 nan 0.000 0.272 297 P C 0.569 178.038 177.300 0.281 0.000 1.223 297 P CA 0.116 63.348 63.100 0.219 0.000 0.784 297 P CB 0.937 32.733 31.700 0.160 0.000 0.923 298 G N 1.813 110.737 108.800 0.207 0.000 2.470 298 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 298 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 298 G C 0.783 175.830 174.900 0.245 0.000 1.121 298 G CA 0.571 45.797 45.100 0.209 0.000 0.766 298 G HN 0.654 nan 8.290 nan 0.000 0.553 299 D N 0.367 120.926 120.400 0.264 0.000 2.358 299 D HA 0.071 4.711 4.640 -0.000 0.000 0.224 299 D C 1.773 178.244 176.300 0.285 0.000 1.123 299 D CA -0.325 53.854 54.000 0.297 0.000 0.833 299 D CB 0.180 41.160 40.800 0.300 0.000 0.946 299 D HN 0.120 nan 8.370 nan 0.000 0.505 300 V N -0.102 119.965 119.914 0.254 0.000 2.759 300 V HA -0.124 3.996 4.120 -0.000 0.000 0.256 300 V C 1.639 177.674 176.094 -0.098 0.000 1.080 300 V CA 1.043 63.380 62.300 0.061 0.000 1.101 300 V CB -0.815 31.040 31.823 0.053 0.000 0.698 300 V HN 0.216 nan 8.190 nan 0.000 0.477 301 F N -0.208 119.704 119.950 -0.064 0.000 2.118 301 F HA -0.115 4.412 4.527 -0.000 0.000 0.293 301 F C 2.121 177.934 175.800 0.021 0.000 1.102 301 F CA 2.036 60.008 58.000 -0.048 0.000 1.247 301 F CB -0.603 38.404 39.000 0.012 0.000 1.017 301 F HN 0.304 nan 8.300 nan 0.000 0.475 302 Y N 0.838 121.180 120.300 0.070 0.000 2.256 302 Y HA -0.243 4.307 4.550 -0.000 0.000 0.288 302 Y C 2.145 177.965 175.900 -0.133 0.000 1.155 302 Y CA 1.616 59.705 58.100 -0.018 0.000 1.203 302 Y CB -0.891 37.615 38.460 0.077 0.000 0.980 302 Y HN 0.262 nan 8.280 nan 0.000 0.530 303 L N -0.219 120.850 121.223 -0.256 0.000 1.956 303 L HA -0.326 4.014 4.340 -0.000 0.000 0.216 303 L C 2.313 178.979 176.870 -0.341 0.000 1.073 303 L CA 2.635 57.249 54.840 -0.376 0.000 0.762 303 L CB -0.854 40.834 42.059 -0.619 0.000 0.889 303 L HN 0.335 nan 8.230 nan 0.000 0.433 304 H N -1.526 117.330 119.070 -0.356 0.000 2.428 304 H HA -0.063 4.493 4.556 -0.000 0.000 0.296 304 H C 2.383 177.430 175.328 -0.470 0.000 1.062 304 H CA 0.950 56.738 56.048 -0.434 0.000 1.350 304 H CB -0.026 29.484 29.762 -0.420 0.000 1.403 304 H HN 0.570 nan 8.280 nan 0.000 0.533 305 S N 1.537 116.948 115.700 -0.482 0.000 2.355 305 S HA -0.226 4.244 4.470 -0.000 0.000 0.222 305 S C 2.083 176.535 174.600 -0.246 0.000 1.031 305 S CA 1.143 59.061 58.200 -0.470 0.000 0.993 305 S CB -0.290 62.508 63.200 -0.671 0.000 0.859 305 S HN 0.570 nan 8.310 nan 0.000 0.453 306 R N 0.845 121.180 120.500 -0.274 0.000 2.189 306 R HA 0.096 4.436 4.340 -0.000 0.000 0.223 306 R C 2.229 178.482 176.300 -0.079 0.000 1.092 306 R CA 1.165 57.145 56.100 -0.200 0.000 0.989 306 R CB -0.632 29.394 30.300 -0.457 0.000 0.876 306 R HN 0.473 nan 8.270 nan 0.000 0.457 307 L N 0.903 122.049 121.223 -0.128 0.000 2.049 307 L HA 0.063 4.403 4.340 -0.000 0.000 0.203 307 L C 1.967 178.723 176.870 -0.191 0.000 1.074 307 L CA 1.470 56.172 54.840 -0.230 0.000 0.749 307 L CB -0.116 41.574 42.059 -0.616 0.000 0.907 307 L HN 0.189 nan 8.230 nan 0.000 0.439 308 L N -0.617 120.486 121.223 -0.200 0.000 2.492 308 L HA 0.027 4.367 4.340 -0.000 0.000 0.223 308 L C 2.249 179.084 176.870 -0.058 0.000 1.132 308 L CA 0.138 54.904 54.840 -0.124 0.000 0.850 308 L CB -0.525 41.445 42.059 -0.149 0.000 0.966 308 L HN 0.278 nan 8.230 nan 0.000 0.454 309 E N 0.787 120.955 120.200 -0.055 0.000 2.268 309 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 309 E C 2.043 178.646 176.600 0.005 0.000 0.995 309 E CA 0.725 57.116 56.400 -0.014 0.000 0.836 309 E CB 0.107 29.805 29.700 -0.002 0.000 0.763 309 E HN 0.512 nan 8.360 nan 0.000 0.491 310 R N 0.355 120.859 120.500 0.006 0.000 2.193 310 R HA 0.097 4.437 4.340 -0.000 0.000 0.213 310 R C 0.954 177.275 176.300 0.037 0.000 1.055 310 R CA 0.456 56.572 56.100 0.028 0.000 0.995 310 R CB 0.118 30.442 30.300 0.039 0.000 0.893 310 R HN -0.100 nan 8.270 nan 0.000 0.459 311 A N 1.590 124.431 122.820 0.034 0.000 2.376 311 A HA 0.586 4.906 4.320 -0.000 0.000 0.298 311 A C -0.296 177.303 177.584 0.025 0.000 1.271 311 A CA -0.099 51.960 52.037 0.037 0.000 0.926 311 A CB 0.146 19.170 19.000 0.041 0.000 1.141 311 A HN 0.287 nan 8.150 nan 0.000 0.539 312 A N 2.664 125.501 122.820 0.029 0.000 2.572 312 A HA 0.704 5.024 4.320 -0.000 0.000 0.295 312 A C -0.540 177.061 177.584 0.029 0.000 1.072 312 A CA -0.855 51.197 52.037 0.025 0.000 0.691 312 A CB 1.090 20.105 19.000 0.026 0.000 1.291 312 A HN 0.709 nan 8.150 nan 0.000 0.404 313 K N 2.065 122.480 120.400 0.025 0.000 2.273 313 K HA 0.530 4.850 4.320 -0.000 0.000 0.287 313 K C -0.924 175.702 176.600 0.043 0.000 1.089 313 K CA -0.009 56.297 56.287 0.031 0.000 0.909 313 K CB -0.368 32.141 32.500 0.016 0.000 1.123 313 K HN 0.577 nan 8.250 nan 0.000 0.473 314 L N 3.489 124.741 121.223 0.049 0.000 2.439 314 L HA 0.167 4.507 4.340 -0.000 0.000 0.269 314 L C 0.666 177.564 176.870 0.047 0.000 1.179 314 L CA -0.387 54.475 54.840 0.038 0.000 0.828 314 L CB 1.006 43.077 42.059 0.020 0.000 1.106 314 L HN 0.877 nan 8.230 nan 0.000 0.467 315 S N 0.873 116.593 115.700 0.033 0.000 2.589 315 S HA -0.017 4.453 4.470 -0.000 0.000 0.265 315 S C 0.934 175.552 174.600 0.030 0.000 1.342 315 S CA -0.343 57.877 58.200 0.033 0.000 1.005 315 S CB 1.062 64.273 63.200 0.019 0.000 0.909 315 S HN 0.779 nan 8.310 nan 0.000 0.555 316 E N 1.014 121.232 120.200 0.030 0.000 2.058 316 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 316 E C 1.941 178.545 176.600 0.007 0.000 0.997 316 E CA 1.328 57.742 56.400 0.023 0.000 0.801 316 E CB -0.203 29.507 29.700 0.017 0.000 0.746 316 E HN 0.751 nan 8.360 nan 0.000 0.450 317 K N 0.286 120.688 120.400 0.002 0.000 2.032 317 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 317 K C 1.717 178.308 176.600 -0.015 0.000 1.048 317 K CA 1.301 57.584 56.287 -0.006 0.000 0.927 317 K CB 0.029 32.526 32.500 -0.005 0.000 0.712 317 K HN 0.085 nan 8.250 nan 0.000 0.441 318 E N -0.928 119.264 120.200 -0.013 0.000 2.516 318 E HA -0.042 4.308 4.350 -0.000 0.000 0.199 318 E C 1.081 177.656 176.600 -0.041 0.000 1.069 318 E CA 0.837 57.221 56.400 -0.026 0.000 0.876 318 E CB 0.598 30.287 29.700 -0.018 0.000 0.843 318 E HN 0.657 nan 8.360 nan 0.000 0.530 319 G N 0.056 108.837 108.800 -0.033 0.000 2.316 319 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.203 319 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.203 319 G C 0.659 175.543 174.900 -0.028 0.000 0.999 319 G CA 0.172 45.243 45.100 -0.049 0.000 0.649 319 G HN 0.121 nan 8.290 nan 0.000 0.489 320 S N -0.846 114.856 115.700 0.003 0.000 2.931 320 S HA -0.133 4.337 4.470 -0.000 0.000 0.271 320 S C 1.497 176.147 174.600 0.082 0.000 1.309 320 S CA 1.472 59.708 58.200 0.059 0.000 1.181 320 S CB -1.466 61.789 63.200 0.091 0.000 1.435 320 S HN 2.198 nan 8.310 nan 0.000 0.670 321 G N 1.382 110.167 108.800 -0.026 0.000 2.594 321 G HA2 0.483 4.442 3.960 -0.000 0.000 0.243 321 G HA3 0.483 4.442 3.960 -0.000 0.000 0.243 321 G C -0.127 174.832 174.900 0.098 0.000 1.229 321 G CA 0.541 45.591 45.100 -0.083 0.000 0.843 321 G HN 1.249 nan 8.290 nan 0.000 0.578 322 S N 0.037 115.867 115.700 0.217 0.000 2.572 322 S HA 0.513 4.983 4.470 -0.000 0.000 0.274 322 S C -1.310 173.371 174.600 0.134 0.000 1.150 322 S CA -0.848 57.465 58.200 0.188 0.000 0.944 322 S CB 1.847 65.158 63.200 0.184 0.000 1.071 322 S HN 0.695 nan 8.310 nan 0.000 0.479 323 L N 3.441 124.711 121.223 0.078 0.000 2.287 323 L HA 0.719 5.059 4.340 -0.000 0.000 0.287 323 L C -0.445 176.442 176.870 0.027 0.000 1.022 323 L CA 0.350 55.224 54.840 0.057 0.000 0.814 323 L CB 1.465 43.561 42.059 0.063 0.000 1.217 323 L HN 0.937 nan 8.230 nan 0.000 0.420 324 T N 4.402 118.958 114.554 0.004 0.000 2.807 324 T HA 0.826 5.176 4.350 -0.000 0.000 0.279 324 T C -0.496 174.190 174.700 -0.024 0.000 0.993 324 T CA -0.461 61.629 62.100 -0.016 0.000 0.970 324 T CB 1.492 70.335 68.868 -0.042 0.000 0.950 324 T HN 0.761 nan 8.240 nan 0.000 0.441 325 A N 3.535 126.352 122.820 -0.005 0.000 2.318 325 A HA 0.750 5.070 4.320 -0.000 0.000 0.317 325 A C -0.572 177.014 177.584 0.003 0.000 1.159 325 A CA -0.764 51.278 52.037 0.008 0.000 0.799 325 A CB 0.464 19.541 19.000 0.129 0.000 1.194 325 A HN 0.862 nan 8.150 nan 0.000 0.479 326 L N 4.816 126.019 121.223 -0.033 0.000 2.335 326 L HA 0.376 4.716 4.340 -0.000 0.000 0.268 326 L C -2.274 174.600 176.870 0.006 0.000 1.037 326 L CA -1.774 53.055 54.840 -0.019 0.000 0.895 326 L CB 1.283 43.321 42.059 -0.036 0.000 1.266 326 L HN 0.472 nan 8.230 nan 0.000 0.439 327 P HA 0.254 nan 4.420 nan 0.000 0.279 327 P C -0.671 176.620 177.300 -0.015 0.000 1.252 327 P CA -0.380 62.761 63.100 0.068 0.000 0.811 327 P CB 2.269 33.964 31.700 -0.008 0.000 1.035 328 V N 3.401 123.296 119.914 -0.032 0.000 2.487 328 V HA 0.378 4.498 4.120 -0.000 0.000 0.298 328 V C 0.040 176.097 176.094 -0.063 0.000 1.028 328 V CA -0.558 61.714 62.300 -0.046 0.000 0.860 328 V CB 1.687 33.485 31.823 -0.042 0.000 0.991 328 V HN 0.415 nan 8.190 nan 0.000 0.427 329 I N 3.673 124.210 120.570 -0.055 0.000 2.465 329 I HA 0.441 4.611 4.170 -0.000 0.000 0.291 329 I C -0.025 176.082 176.117 -0.017 0.000 1.014 329 I CA -0.473 60.797 61.300 -0.050 0.000 1.093 329 I CB 2.132 40.093 38.000 -0.066 0.000 1.267 329 I HN 0.736 nan 8.210 nan 0.000 0.431 330 E N 4.989 125.187 120.200 -0.003 0.000 2.081 330 E HA 0.332 4.682 4.350 -0.000 0.000 0.276 330 E C -0.320 176.304 176.600 0.039 0.000 0.950 330 E CA -0.422 55.984 56.400 0.010 0.000 0.776 330 E CB 0.916 30.622 29.700 0.010 0.000 1.094 330 E HN 0.696 nan 8.360 nan 0.000 0.402 331 T N 2.143 116.730 114.554 0.056 0.000 2.754 331 T HA 0.225 4.575 4.350 -0.000 0.000 0.286 331 T C 0.069 174.811 174.700 0.070 0.000 0.997 331 T CA -0.871 61.279 62.100 0.083 0.000 0.982 331 T CB 1.052 70.002 68.868 0.137 0.000 1.027 331 T HN 0.352 nan 8.240 nan 0.000 0.529 332 Q N 0.357 120.203 119.800 0.076 0.000 2.341 332 Q HA 0.477 4.817 4.340 -0.000 0.000 0.268 332 Q C 0.773 176.812 176.000 0.065 0.000 1.013 332 Q CA -0.076 55.765 55.803 0.064 0.000 0.798 332 Q CB 1.276 30.052 28.738 0.063 0.000 1.253 332 Q HN 1.286 nan 8.270 nan 0.000 0.457 333 G N 1.689 110.524 108.800 0.058 0.000 2.273 333 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.280 333 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.280 333 G C 0.862 175.814 174.900 0.086 0.000 1.047 333 G CA 0.729 45.864 45.100 0.058 0.000 0.869 333 G HN 1.243 nan 8.290 nan 0.000 0.502 334 G N -0.739 108.140 108.800 0.133 0.000 2.228 334 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.270 334 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.270 334 G C 0.386 175.379 174.900 0.155 0.000 0.976 334 G CA 1.196 46.440 45.100 0.239 0.000 0.636 334 G HN 1.538 nan 8.290 nan 0.000 0.542 335 D N 0.638 121.092 120.400 0.090 0.000 2.367 335 D HA 0.376 5.016 4.640 -0.000 0.000 0.255 335 D C 1.841 178.164 176.300 0.039 0.000 1.300 335 D CA 0.551 54.578 54.000 0.044 0.000 0.959 335 D CB 0.644 41.471 40.800 0.044 0.000 1.064 335 D HN 0.576 nan 8.370 nan 0.000 0.509 336 V N 0.924 120.826 119.914 -0.021 0.000 3.380 336 V HA -0.051 4.069 4.120 -0.000 0.000 0.268 336 V C 1.791 177.879 176.094 -0.009 0.000 1.168 336 V CA 0.691 62.972 62.300 -0.032 0.000 1.156 336 V CB -0.205 31.525 31.823 -0.155 0.000 0.785 336 V HN 0.351 nan 8.190 nan 0.000 0.487 337 S N 1.356 117.056 115.700 -0.001 0.000 2.419 337 S HA 0.158 4.628 4.470 -0.000 0.000 0.233 337 S C 1.449 176.088 174.600 0.065 0.000 1.016 337 S CA 0.774 58.988 58.200 0.023 0.000 0.974 337 S CB -0.543 62.667 63.200 0.017 0.000 0.786 337 S HN 1.008 nan 8.310 nan 0.000 0.492 338 A N 1.182 124.049 122.820 0.077 0.000 2.587 338 A HA 0.060 4.380 4.320 -0.000 0.000 0.233 338 A C 0.942 178.625 177.584 0.165 0.000 1.049 338 A CA -0.055 52.056 52.037 0.123 0.000 0.754 338 A CB -0.295 18.775 19.000 0.116 0.000 0.977 338 A HN 0.354 nan 8.150 nan 0.000 0.509 339 Y N 2.532 122.865 120.300 0.056 0.000 2.069 339 Y HA -0.268 4.282 4.550 -0.000 0.000 0.278 339 Y C 1.867 177.773 175.900 0.011 0.000 1.175 339 Y CA 2.441 60.565 58.100 0.040 0.000 1.134 339 Y CB -0.185 38.316 38.460 0.068 0.000 0.965 339 Y HN 0.579 nan 8.280 nan 0.000 0.498 340 I N 0.231 120.746 120.570 -0.091 0.000 2.202 340 I HA -0.166 4.004 4.170 -0.000 0.000 0.242 340 I C -0.369 175.685 176.117 -0.105 0.000 1.091 340 I CA 1.180 62.351 61.300 -0.214 0.000 1.368 340 I CB -2.785 35.107 38.000 -0.180 0.000 1.058 340 I HN 0.153 nan 8.210 nan 0.000 0.410 341 P HA -0.157 nan 4.420 nan 0.000 0.214 341 P C 1.848 179.141 177.300 -0.010 0.000 1.163 341 P CA 2.573 65.665 63.100 -0.014 0.000 0.889 341 P CB -0.319 31.396 31.700 0.025 0.000 0.790 342 T N -3.935 110.629 114.554 0.015 0.000 2.881 342 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 342 T C 1.742 176.468 174.700 0.042 0.000 1.068 342 T CA 1.244 63.363 62.100 0.033 0.000 1.131 342 T CB -0.950 67.957 68.868 0.065 0.000 0.871 342 T HN -0.037 nan 8.240 nan 0.000 0.479 343 N N 1.230 119.932 118.700 0.004 0.000 2.080 343 N HA -0.015 4.725 4.740 -0.000 0.000 0.189 343 N C 1.986 177.555 175.510 0.099 0.000 1.036 343 N CA 1.291 54.390 53.050 0.083 0.000 0.846 343 N CB -0.696 37.749 38.487 -0.070 0.000 1.015 343 N HN 0.334 nan 8.380 nan 0.000 0.423 344 V N 1.609 121.499 119.914 -0.040 0.000 2.358 344 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 344 V C 2.245 178.314 176.094 -0.042 0.000 1.047 344 V CA 1.022 63.255 62.300 -0.112 0.000 1.035 344 V CB -0.430 31.260 31.823 -0.222 0.000 0.658 344 V HN 0.238 nan 8.190 nan 0.000 0.452 345 I N 1.480 122.044 120.570 -0.010 0.000 2.248 345 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 345 I C 2.323 178.465 176.117 0.040 0.000 1.107 345 I CA 1.946 63.252 61.300 0.010 0.000 1.373 345 I CB -0.398 37.608 38.000 0.009 0.000 1.055 345 I HN 0.479 nan 8.210 nan 0.000 0.418 346 S N -0.342 115.412 115.700 0.089 0.000 2.650 346 S HA 0.172 4.642 4.470 -0.000 0.000 0.219 346 S C 1.396 176.105 174.600 0.182 0.000 0.960 346 S CA 0.132 58.415 58.200 0.139 0.000 0.925 346 S CB -0.342 62.959 63.200 0.169 0.000 0.775 346 S HN 0.446 nan 8.310 nan 0.000 0.525 347 I N 1.293 121.918 120.570 0.092 0.000 3.443 347 I HA 0.076 4.246 4.170 -0.000 0.000 0.277 347 I C 1.546 177.662 176.117 -0.002 0.000 1.169 347 I CA 0.472 61.784 61.300 0.020 0.000 1.419 347 I CB -0.511 37.419 38.000 -0.117 0.000 1.331 347 I HN 0.298 nan 8.210 nan 0.000 0.458 348 T N -1.143 113.401 114.554 -0.016 0.000 2.698 348 T HA 0.066 4.416 4.350 -0.000 0.000 0.295 348 T C 0.275 174.978 174.700 0.004 0.000 1.007 348 T CA -0.200 61.891 62.100 -0.015 0.000 0.980 348 T CB 0.549 69.403 68.868 -0.024 0.000 1.036 348 T HN 0.069 nan 8.240 nan 0.000 0.526 349 D N 0.068 120.469 120.400 0.003 0.000 2.525 349 D HA 0.435 5.075 4.640 -0.000 0.000 0.229 349 D C 0.771 177.076 176.300 0.009 0.000 1.202 349 D CA 0.092 54.097 54.000 0.009 0.000 0.828 349 D CB 0.042 40.846 40.800 0.007 0.000 1.008 349 D HN 0.994 nan 8.370 nan 0.000 0.493 350 G N 0.667 109.473 108.800 0.010 0.000 2.353 350 G HA2 0.288 4.247 3.960 -0.000 0.000 0.308 350 G HA3 0.288 4.247 3.960 -0.000 0.000 0.308 350 G C -1.967 172.944 174.900 0.018 0.000 1.418 350 G CA -0.994 44.115 45.100 0.015 0.000 0.966 350 G HN 0.011 nan 8.290 nan 0.000 0.638 351 Q N -0.832 118.987 119.800 0.032 0.000 2.345 351 Q HA 0.710 5.050 4.340 -0.000 0.000 0.275 351 Q C -0.546 175.499 176.000 0.074 0.000 1.063 351 Q CA -0.671 55.162 55.803 0.050 0.000 0.819 351 Q CB 2.471 31.246 28.738 0.063 0.000 1.356 351 Q HN 0.623 nan 8.270 nan 0.000 0.418 352 I N 2.179 122.793 120.570 0.074 0.000 2.395 352 I HA 0.286 4.456 4.170 -0.000 0.000 0.282 352 I C -0.841 175.337 176.117 0.103 0.000 1.107 352 I CA -0.614 60.731 61.300 0.075 0.000 1.210 352 I CB 0.141 38.160 38.000 0.031 0.000 1.456 352 I HN 0.521 nan 8.210 nan 0.000 0.504 353 F N 6.865 126.817 119.950 0.004 0.000 2.467 353 F HA 0.362 4.889 4.527 -0.000 0.000 0.362 353 F C -0.219 175.588 175.800 0.012 0.000 1.090 353 F CA -0.289 57.713 58.000 0.003 0.000 1.202 353 F CB 0.495 39.499 39.000 0.006 0.000 1.113 353 F HN 0.198 nan 8.300 nan 0.000 0.541 354 L N 6.570 127.345 121.223 -0.746 0.000 2.277 354 L HA 0.345 4.685 4.340 -0.000 0.000 0.284 354 L C 0.018 176.426 176.870 -0.770 0.000 1.028 354 L CA -0.560 53.960 54.840 -0.534 0.000 0.835 354 L CB 0.918 42.763 42.059 -0.358 0.000 1.215 354 L HN 0.536 nan 8.230 nan 0.000 0.425 355 E N 1.618 121.559 120.200 -0.432 0.000 2.324 355 E HA 0.120 4.470 4.350 -0.000 0.000 0.271 355 E C 0.744 177.320 176.600 -0.040 0.000 1.028 355 E CA -0.061 56.223 56.400 -0.193 0.000 0.890 355 E CB 1.767 31.508 29.700 0.068 0.000 1.004 355 E HN 0.761 nan 8.360 nan 0.000 0.431 356 A N 4.035 126.839 122.820 -0.027 0.000 2.019 356 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 356 A C 1.914 179.596 177.584 0.163 0.000 1.164 356 A CA 1.590 53.674 52.037 0.079 0.000 0.644 356 A CB -0.148 18.873 19.000 0.035 0.000 0.805 356 A HN 0.651 nan 8.150 nan 0.000 0.449 357 E N 0.135 120.403 120.200 0.112 0.000 2.072 357 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 357 E C 1.804 178.498 176.600 0.157 0.000 0.982 357 E CA 1.120 57.589 56.400 0.115 0.000 0.803 357 E CB -0.304 29.442 29.700 0.076 0.000 0.755 357 E HN 0.598 nan 8.360 nan 0.000 0.453 358 L N -0.533 120.775 121.223 0.142 0.000 2.109 358 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 358 L C 2.197 179.160 176.870 0.155 0.000 1.086 358 L CA 0.714 55.633 54.840 0.131 0.000 0.760 358 L CB -0.427 41.699 42.059 0.112 0.000 0.910 358 L HN 0.175 nan 8.230 nan 0.000 0.437 359 F N 0.096 120.067 119.950 0.036 0.000 2.075 359 F HA -0.327 4.200 4.527 -0.000 0.000 0.297 359 F C 2.633 178.471 175.800 0.064 0.000 1.113 359 F CA 1.718 59.735 58.000 0.029 0.000 1.218 359 F CB -0.576 38.427 39.000 0.005 0.000 0.984 359 F HN -0.017 nan 8.300 nan 0.000 0.472 360 Y N 1.401 121.772 120.300 0.118 0.000 2.193 360 Y HA -0.305 4.245 4.550 -0.000 0.000 0.285 360 Y C 2.419 178.292 175.900 -0.045 0.000 1.166 360 Y CA 2.993 61.115 58.100 0.036 0.000 1.181 360 Y CB -0.819 37.686 38.460 0.075 0.000 0.976 360 Y HN 0.046 nan 8.280 nan 0.000 0.520 361 K N 0.358 120.802 120.400 0.074 0.000 2.504 361 K HA 0.330 4.650 4.320 -0.000 0.000 0.195 361 K C 1.666 178.196 176.600 -0.116 0.000 1.036 361 K CA 1.036 57.318 56.287 -0.008 0.000 0.984 361 K CB -1.403 31.145 32.500 0.081 0.000 0.788 361 K HN 0.887 nan 8.250 nan 0.000 0.488 362 G N -0.152 108.529 108.800 -0.199 0.000 2.175 362 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.244 362 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.244 362 G C 0.411 175.219 174.900 -0.153 0.000 0.982 362 G CA 0.066 45.029 45.100 -0.228 0.000 0.641 362 G HN 0.583 nan 8.290 nan 0.000 0.527 363 I N 2.080 122.601 120.570 -0.082 0.000 2.501 363 I HA 0.233 4.403 4.170 -0.000 0.000 0.305 363 I C 0.863 176.969 176.117 -0.019 0.000 1.197 363 I CA 0.415 61.704 61.300 -0.019 0.000 1.793 363 I CB -0.297 37.725 38.000 0.036 0.000 1.521 363 I HN 0.100 nan 8.210 nan 0.000 0.843 364 R N 5.207 125.675 120.500 -0.053 0.000 2.561 364 R HA 0.489 4.829 4.340 -0.000 0.000 0.297 364 R C -2.640 173.668 176.300 0.013 0.000 0.969 364 R CA -1.938 54.144 56.100 -0.029 0.000 0.879 364 R CB 1.309 31.496 30.300 -0.189 0.000 1.178 364 R HN 0.067 nan 8.270 nan 0.000 0.445 365 P HA -0.040 nan 4.420 nan 0.000 0.267 365 P C -0.137 177.236 177.300 0.122 0.000 1.200 365 P CA 0.129 63.290 63.100 0.102 0.000 0.772 365 P CB 0.722 32.461 31.700 0.065 0.000 0.855 366 A N 3.388 126.318 122.820 0.183 0.000 2.291 366 A HA 0.083 4.403 4.320 -0.000 0.000 0.220 366 A C 0.832 178.456 177.584 0.067 0.000 1.262 366 A CA -0.109 52.029 52.037 0.169 0.000 0.867 366 A CB -1.174 17.975 19.000 0.249 0.000 0.888 366 A HN 0.520 nan 8.150 nan 0.000 0.487 367 I N 1.793 122.403 120.570 0.066 0.000 2.845 367 I HA -0.112 4.058 4.170 -0.000 0.000 0.290 367 I C 0.598 176.778 176.117 0.104 0.000 1.202 367 I CA 0.190 61.532 61.300 0.071 0.000 1.406 367 I CB 0.149 38.193 38.000 0.075 0.000 1.383 367 I HN 0.344 nan 8.210 nan 0.000 0.549 368 N N 7.130 125.921 118.700 0.152 0.000 2.482 368 N HA 0.060 4.799 4.740 -0.000 0.000 0.242 368 N C 0.919 176.527 175.510 0.164 0.000 1.100 368 N CA -0.229 52.938 53.050 0.195 0.000 0.946 368 N CB 1.187 39.876 38.487 0.338 0.000 1.227 368 N HN 0.427 nan 8.380 nan 0.000 0.508 369 V N 3.594 123.580 119.914 0.119 0.000 2.380 369 V HA -0.217 3.903 4.120 -0.000 0.000 0.251 369 V C 2.480 178.621 176.094 0.079 0.000 1.063 369 V CA 2.229 64.588 62.300 0.097 0.000 1.055 369 V CB -0.972 30.908 31.823 0.095 0.000 0.657 369 V HN 0.712 nan 8.190 nan 0.000 0.455 370 G N -0.504 108.337 108.800 0.069 0.000 2.432 370 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.219 370 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.219 370 G C 1.197 176.110 174.900 0.023 0.000 1.135 370 G CA 0.478 45.600 45.100 0.037 0.000 0.767 370 G HN 0.524 nan 8.290 nan 0.000 0.550 371 L N 1.262 122.510 121.223 0.042 0.000 3.094 371 L HA 0.391 4.731 4.340 -0.000 0.000 0.254 371 L C -0.302 176.608 176.870 0.067 0.000 1.298 371 L CA -0.187 54.648 54.840 -0.008 0.000 1.050 371 L CB 0.745 42.708 42.059 -0.160 0.000 1.420 371 L HN -0.022 nan 8.230 nan 0.000 0.548 372 S N -0.527 115.220 115.700 0.078 0.000 2.571 372 S HA 0.711 5.181 4.470 -0.000 0.000 0.284 372 S C -0.990 173.644 174.600 0.056 0.000 1.128 372 S CA -0.457 57.796 58.200 0.087 0.000 0.970 372 S CB 3.013 66.279 63.200 0.110 0.000 1.039 372 S HN -0.082 nan 8.310 nan 0.000 0.485 373 V N 1.773 121.715 119.914 0.046 0.000 3.178 373 V HA 0.830 4.950 4.120 -0.000 0.000 0.302 373 V C -1.345 174.766 176.094 0.029 0.000 1.262 373 V CA -0.369 61.951 62.300 0.034 0.000 1.030 373 V CB 2.581 34.419 31.823 0.025 0.000 1.074 373 V HN 0.777 nan 8.190 nan 0.000 0.438 374 S N 2.994 118.709 115.700 0.024 0.000 2.620 374 S HA 0.436 4.906 4.470 -0.000 0.000 0.244 374 S C 0.713 175.323 174.600 0.015 0.000 1.192 374 S CA -0.596 57.614 58.200 0.017 0.000 1.148 374 S CB 0.735 63.943 63.200 0.014 0.000 1.106 374 S HN 0.739 nan 8.310 nan 0.000 0.474 375 R N 1.823 122.332 120.500 0.014 0.000 2.249 375 R HA -0.060 4.280 4.340 -0.000 0.000 0.230 375 R C 1.289 177.597 176.300 0.014 0.000 1.121 375 R CA 1.741 57.850 56.100 0.015 0.000 0.997 375 R CB -0.283 30.026 30.300 0.015 0.000 0.867 375 R HN 0.545 nan 8.270 nan 0.000 0.465 376 V N -5.412 114.508 119.914 0.010 0.000 3.337 376 V HA 0.381 4.500 4.120 -0.000 0.000 0.307 376 V C 1.398 177.495 176.094 0.004 0.000 1.505 376 V CA 0.288 62.593 62.300 0.009 0.000 1.072 376 V CB 0.705 32.532 31.823 0.008 0.000 0.929 376 V HN 0.147 nan 8.190 nan 0.000 0.455 377 G N 1.431 110.233 108.800 0.004 0.000 2.448 377 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.218 377 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.218 377 G C 1.441 176.344 174.900 0.005 0.000 1.135 377 G CA 1.248 46.347 45.100 -0.001 0.000 0.784 377 G HN 0.556 nan 8.290 nan 0.000 0.543 378 S N 1.572 117.280 115.700 0.012 0.000 2.374 378 S HA -0.122 4.348 4.470 -0.000 0.000 0.227 378 S C 2.651 177.261 174.600 0.017 0.000 1.037 378 S CA 1.260 59.469 58.200 0.016 0.000 1.024 378 S CB -0.424 62.787 63.200 0.019 0.000 0.861 378 S HN 0.547 nan 8.310 nan 0.000 0.456 379 A N 0.579 123.410 122.820 0.019 0.000 2.119 379 A HA 0.457 4.777 4.320 -0.000 0.000 0.217 379 A C 2.014 179.617 177.584 0.032 0.000 1.153 379 A CA 1.258 53.313 52.037 0.029 0.000 0.692 379 A CB -0.468 18.554 19.000 0.036 0.000 0.799 379 A HN 0.552 nan 8.150 nan 0.000 0.458 380 A N -1.638 121.186 122.820 0.007 0.000 2.287 380 A HA 0.261 4.581 4.320 -0.000 0.000 0.214 380 A C 1.044 178.612 177.584 -0.027 0.000 1.228 380 A CA 0.077 52.102 52.037 -0.020 0.000 0.939 380 A CB -0.169 18.799 19.000 -0.053 0.000 0.992 380 A HN 0.488 nan 8.150 nan 0.000 0.502 381 Q N 1.138 120.932 119.800 -0.010 0.000 2.300 381 Q HA 0.291 4.631 4.340 -0.000 0.000 0.280 381 Q C -0.628 175.374 176.000 0.003 0.000 1.033 381 Q CA -0.129 55.671 55.803 -0.005 0.000 0.903 381 Q CB 0.603 29.346 28.738 0.008 0.000 1.195 381 Q HN 0.199 nan 8.270 nan 0.000 0.386 382 V N 6.073 125.988 119.914 0.002 0.000 2.584 382 V HA -0.170 3.950 4.120 -0.000 0.000 0.303 382 V C 1.280 177.388 176.094 0.024 0.000 1.035 382 V CA 0.800 63.109 62.300 0.014 0.000 1.172 382 V CB 0.407 32.245 31.823 0.025 0.000 0.896 382 V HN 0.892 nan 8.190 nan 0.000 0.486 383 K N 4.233 124.648 120.400 0.025 0.000 2.211 383 K HA -0.174 4.145 4.320 -0.000 0.000 0.204 383 K C 2.033 178.651 176.600 0.031 0.000 1.047 383 K CA 1.377 57.679 56.287 0.027 0.000 0.935 383 K CB -0.151 32.364 32.500 0.025 0.000 0.728 383 K HN 0.807 nan 8.250 nan 0.000 0.452 384 A N 1.797 124.636 122.820 0.032 0.000 1.873 384 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 384 A C 2.178 179.790 177.584 0.047 0.000 1.186 384 A CA 1.017 53.076 52.037 0.036 0.000 0.616 384 A CB -0.604 18.415 19.000 0.030 0.000 0.823 384 A HN 0.153 nan 8.150 nan 0.000 0.442 385 L N -0.690 120.560 121.223 0.045 0.000 2.191 385 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 385 L C 2.570 179.468 176.870 0.046 0.000 1.103 385 L CA 1.649 56.519 54.840 0.049 0.000 0.769 385 L CB -0.258 41.827 42.059 0.044 0.000 0.908 385 L HN 0.438 nan 8.230 nan 0.000 0.438 386 K N -0.282 120.141 120.400 0.039 0.000 2.097 386 K HA -0.211 4.109 4.320 -0.000 0.000 0.205 386 K C 2.095 178.718 176.600 0.037 0.000 1.050 386 K CA 1.362 57.670 56.287 0.034 0.000 0.938 386 K CB 0.111 32.628 32.500 0.029 0.000 0.718 386 K HN 0.373 nan 8.250 nan 0.000 0.442 387 Q N -0.153 119.674 119.800 0.045 0.000 2.020 387 Q HA -0.095 4.245 4.340 -0.000 0.000 0.198 387 Q C 1.942 177.976 176.000 0.058 0.000 0.974 387 Q CA 1.598 57.431 55.803 0.050 0.000 0.829 387 Q CB 0.034 28.808 28.738 0.059 0.000 0.894 387 Q HN 0.293 nan 8.270 nan 0.000 0.433 388 V N -2.786 117.177 119.914 0.081 0.000 3.510 388 V HA 0.276 4.396 4.120 -0.000 0.000 0.270 388 V C 1.183 177.300 176.094 0.040 0.000 1.201 388 V CA 1.077 63.435 62.300 0.097 0.000 1.166 388 V CB -0.213 31.722 31.823 0.186 0.000 0.825 388 V HN 0.257 nan 8.190 nan 0.000 0.484 389 A N 0.005 122.845 122.820 0.032 0.000 2.661 389 A HA 0.645 4.964 4.320 -0.000 0.000 0.278 389 A C 1.194 178.790 177.584 0.020 0.000 1.090 389 A CA 0.354 52.404 52.037 0.022 0.000 0.969 389 A CB -0.264 18.759 19.000 0.038 0.000 1.240 389 A HN 0.718 nan 8.150 nan 0.000 0.578 390 G N -0.438 108.372 108.800 0.017 0.000 2.334 390 G HA2 0.434 4.394 3.960 -0.000 0.000 0.261 390 G HA3 0.434 4.394 3.960 -0.000 0.000 0.261 390 G C 0.684 175.592 174.900 0.013 0.000 1.257 390 G CA 0.886 45.997 45.100 0.019 0.000 0.935 390 G HN 0.887 nan 8.290 nan 0.000 0.480 391 S N 0.543 116.263 115.700 0.033 0.000 2.659 391 S HA -0.211 4.259 4.470 -0.000 0.000 0.264 391 S C 1.457 176.109 174.600 0.087 0.000 1.310 391 S CA 0.685 58.917 58.200 0.054 0.000 1.262 391 S CB -1.320 61.902 63.200 0.038 0.000 1.548 391 S HN 0.754 nan 8.310 nan 0.000 0.657 392 L N 2.007 123.269 121.223 0.065 0.000 2.217 392 L HA 0.153 4.493 4.340 -0.000 0.000 0.211 392 L C 2.011 178.958 176.870 0.128 0.000 1.107 392 L CA 2.619 57.516 54.840 0.096 0.000 0.783 392 L CB -0.409 41.683 42.059 0.056 0.000 0.919 392 L HN 0.326 nan 8.230 nan 0.000 0.442 393 K N -0.307 120.151 120.400 0.097 0.000 2.020 393 K HA -0.172 4.148 4.320 -0.000 0.000 0.212 393 K C 1.900 178.561 176.600 0.101 0.000 1.050 393 K CA 2.164 58.504 56.287 0.088 0.000 0.929 393 K CB -0.411 32.129 32.500 0.066 0.000 0.714 393 K HN 0.410 nan 8.250 nan 0.000 0.443 394 L N -0.874 120.416 121.223 0.111 0.000 2.095 394 L HA 0.002 4.342 4.340 -0.000 0.000 0.204 394 L C 2.325 179.276 176.870 0.134 0.000 1.080 394 L CA 0.817 55.720 54.840 0.105 0.000 0.759 394 L CB -0.478 41.638 42.059 0.094 0.000 0.914 394 L HN 0.154 nan 8.230 nan 0.000 0.439 395 F N 0.956 120.931 119.950 0.042 0.000 2.134 395 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 395 F C 2.247 178.104 175.800 0.096 0.000 1.097 395 F CA 1.495 59.527 58.000 0.052 0.000 1.264 395 F CB -0.081 38.935 39.000 0.027 0.000 1.001 395 F HN -0.122 nan 8.300 nan 0.000 0.479 396 L N -0.287 121.072 121.223 0.227 0.000 2.083 396 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 396 L C 2.672 179.609 176.870 0.113 0.000 1.083 396 L CA 1.158 56.116 54.840 0.197 0.000 0.752 396 L CB -0.978 41.201 42.059 0.200 0.000 0.899 396 L HN 0.234 nan 8.230 nan 0.000 0.433 397 A N -1.197 121.660 122.820 0.062 0.000 2.119 397 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 397 A C 2.035 179.595 177.584 -0.040 0.000 1.153 397 A CA 1.039 53.087 52.037 0.019 0.000 0.692 397 A CB -0.170 18.848 19.000 0.030 0.000 0.799 397 A HN 0.499 nan 8.150 nan 0.000 0.458 398 Q N -2.520 117.226 119.800 -0.090 0.000 2.282 398 Q HA 0.074 4.413 4.340 -0.000 0.000 0.206 398 Q C 1.302 177.164 176.000 -0.229 0.000 0.878 398 Q CA 0.106 55.817 55.803 -0.153 0.000 0.944 398 Q CB 0.170 28.821 28.738 -0.145 0.000 1.100 398 Q HN 0.865 nan 8.270 nan 0.000 0.509 399 Y N 0.835 120.917 120.300 -0.363 0.000 2.269 399 Y HA 0.057 4.607 4.550 -0.000 0.000 0.294 399 Y C 1.856 177.670 175.900 -0.143 0.000 1.120 399 Y CA 1.086 59.001 58.100 -0.308 0.000 1.159 399 Y CB 0.184 38.473 38.460 -0.286 0.000 1.024 399 Y HN -0.174 nan 8.280 nan 0.000 0.532 400 R N 0.550 120.798 120.500 -0.421 0.000 2.237 400 R HA -0.093 4.247 4.340 -0.000 0.000 0.219 400 R C 1.918 178.063 176.300 -0.259 0.000 1.080 400 R CA 1.144 56.997 56.100 -0.410 0.000 0.995 400 R CB -0.078 30.108 30.300 -0.190 0.000 0.875 400 R HN 0.538 nan 8.270 nan 0.000 0.462 401 E N 0.097 120.181 120.200 -0.192 0.000 2.072 401 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 401 E C 1.955 178.471 176.600 -0.140 0.000 0.982 401 E CA 1.057 57.376 56.400 -0.134 0.000 0.803 401 E CB 0.144 29.783 29.700 -0.102 0.000 0.755 401 E HN 0.102 nan 8.360 nan 0.000 0.453 402 V N 1.034 120.847 119.914 -0.169 0.000 2.591 402 V HA -0.086 4.034 4.120 -0.000 0.000 0.249 402 V C 1.930 177.941 176.094 -0.138 0.000 1.053 402 V CA 1.440 63.667 62.300 -0.122 0.000 1.068 402 V CB -0.176 31.602 31.823 -0.075 0.000 0.689 402 V HN 0.188 nan 8.190 nan 0.000 0.462 403 A N -1.015 121.648 122.820 -0.261 0.000 2.327 403 A HA 0.593 4.913 4.320 -0.000 0.000 0.228 403 A C 1.799 179.283 177.584 -0.166 0.000 1.275 403 A CA 0.955 52.851 52.037 -0.235 0.000 0.875 403 A CB -0.183 18.562 19.000 -0.426 0.000 0.925 403 A HN 0.470 nan 8.150 nan 0.000 0.493 404 A N -1.406 121.332 122.820 -0.136 0.000 1.993 404 A HA 0.424 4.743 4.320 -0.000 0.000 0.202 404 A C 1.863 179.410 177.584 -0.062 0.000 1.461 404 A CA 0.992 52.973 52.037 -0.094 0.000 0.824 404 A CB -0.629 18.316 19.000 -0.093 0.000 1.024 404 A HN 1.029 nan 8.150 nan 0.000 0.507 405 F N 0.060 119.975 119.950 -0.059 0.000 2.802 405 F HA 0.477 5.004 4.527 -0.000 0.000 0.300 405 F C 2.074 177.854 175.800 -0.033 0.000 1.168 405 F CA 1.243 59.219 58.000 -0.041 0.000 1.433 405 F CB -1.133 37.845 39.000 -0.037 0.000 1.115 405 F HN 0.503 nan 8.300 nan 0.000 0.582 406 A N -1.248 121.549 122.820 -0.038 0.000 1.944 406 A HA 0.271 4.591 4.320 -0.000 0.000 0.207 406 A C 1.415 178.986 177.584 -0.022 0.000 1.265 406 A CA 0.530 52.551 52.037 -0.026 0.000 0.712 406 A CB -0.068 18.917 19.000 -0.025 0.000 0.915 406 A HN 0.489 nan 8.150 nan 0.000 0.470 413 D N 1.157 121.562 120.400 0.008 0.000 2.264 413 D HA 0.586 5.226 4.640 -0.000 0.000 0.249 413 D C 0.870 177.176 176.300 0.009 0.000 1.070 413 D CA 0.526 54.531 54.000 0.008 0.000 0.912 413 D CB 2.184 42.989 40.800 0.008 0.000 1.193 413 D HN 0.514 nan 8.370 nan 0.000 0.427 414 A N 2.400 125.225 122.820 0.008 0.000 1.872 414 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 414 A C 2.044 179.635 177.584 0.011 0.000 1.187 414 A CA 1.596 53.637 52.037 0.008 0.000 0.614 414 A CB -0.683 18.321 19.000 0.006 0.000 0.826 414 A HN 0.509 nan 8.150 nan 0.000 0.442 415 S N -0.605 115.102 115.700 0.012 0.000 2.327 415 S HA -0.102 4.368 4.470 -0.000 0.000 0.213 415 S C 2.056 176.670 174.600 0.024 0.000 1.032 415 S CA 1.867 60.077 58.200 0.016 0.000 0.960 415 S CB -0.780 62.429 63.200 0.015 0.000 0.900 415 S HN 0.743 nan 8.310 nan 0.000 0.469 416 T N -0.235 114.333 114.554 0.023 0.000 3.228 416 T HA 0.087 4.437 4.350 -0.000 0.000 0.261 416 T C 1.406 176.130 174.700 0.040 0.000 1.171 416 T CA 0.862 62.981 62.100 0.031 0.000 1.056 416 T CB -0.337 68.543 68.868 0.020 0.000 0.938 416 T HN 0.397 nan 8.240 nan 0.000 0.539 417 K N 0.715 121.135 120.400 0.034 0.000 2.057 417 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 417 K C 2.578 179.204 176.600 0.044 0.000 1.050 417 K CA 0.928 57.237 56.287 0.035 0.000 0.935 417 K CB -0.131 32.382 32.500 0.023 0.000 0.715 417 K HN 0.348 nan 8.250 nan 0.000 0.439 418 Q N 0.029 119.855 119.800 0.043 0.000 2.230 418 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 418 Q C 1.686 177.732 176.000 0.078 0.000 0.963 418 Q CA 1.814 57.643 55.803 0.043 0.000 0.866 418 Q CB 0.098 28.853 28.738 0.029 0.000 0.931 418 Q HN 0.530 nan 8.270 nan 0.000 0.452 419 T N -0.909 113.715 114.554 0.118 0.000 2.951 419 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 419 T C 1.814 176.614 174.700 0.166 0.000 1.073 419 T CA 0.925 63.145 62.100 0.199 0.000 1.134 419 T CB -0.279 68.694 68.868 0.175 0.000 0.884 419 T HN 0.230 nan 8.240 nan 0.000 0.479 420 L N 1.319 122.631 121.223 0.148 0.000 2.109 420 L HA 0.166 4.506 4.340 -0.000 0.000 0.207 420 L C 2.401 179.340 176.870 0.114 0.000 1.086 420 L CA 1.223 56.188 54.840 0.208 0.000 0.760 420 L CB -0.514 41.631 42.059 0.144 0.000 0.910 420 L HN 0.123 nan 8.230 nan 0.000 0.437 421 V N -0.071 119.874 119.914 0.052 0.000 2.667 421 V HA -0.121 3.999 4.120 -0.000 0.000 0.252 421 V C 2.783 178.849 176.094 -0.047 0.000 1.065 421 V CA 1.200 63.502 62.300 0.002 0.000 1.083 421 V CB -0.844 30.979 31.823 -0.001 0.000 0.692 421 V HN 0.421 nan 8.190 nan 0.000 0.468 422 R N 0.529 121.010 120.500 -0.031 0.000 2.062 422 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 422 R C 2.475 178.662 176.300 -0.188 0.000 1.136 422 R CA 1.653 57.722 56.100 -0.050 0.000 0.948 422 R CB -1.089 29.277 30.300 0.110 0.000 0.845 422 R HN 0.548 nan 8.270 nan 0.000 0.430 423 G N 0.948 109.450 108.800 -0.497 0.000 2.421 423 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 423 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 423 G C 1.248 175.726 174.900 -0.704 0.000 1.171 423 G CA 0.567 44.938 45.100 -1.215 0.000 0.775 423 G HN 0.375 nan 8.290 nan 0.000 0.543 424 E N 0.046 120.006 120.200 -0.399 0.000 2.160 424 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 424 E C 2.799 179.352 176.600 -0.078 0.000 0.991 424 E CA 0.509 56.859 56.400 -0.085 0.000 0.810 424 E CB 0.018 29.724 29.700 0.010 0.000 0.742 424 E HN 0.171 nan 8.360 nan 0.000 0.466 425 R N 0.303 120.734 120.500 -0.114 0.000 2.073 425 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 425 R C 2.410 178.671 176.300 -0.064 0.000 1.134 425 R CA 1.011 57.056 56.100 -0.092 0.000 0.952 425 R CB -0.813 29.419 30.300 -0.113 0.000 0.850 425 R HN 0.253 nan 8.270 nan 0.000 0.433 426 L N 0.261 121.436 121.223 -0.080 0.000 2.109 426 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 426 L C 2.332 179.206 176.870 0.005 0.000 1.086 426 L CA 1.340 56.161 54.840 -0.031 0.000 0.760 426 L CB -0.588 41.453 42.059 -0.031 0.000 0.910 426 L HN 0.165 nan 8.230 nan 0.000 0.437 427 T N -1.294 113.263 114.554 0.004 0.000 2.788 427 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 427 T C 1.859 176.584 174.700 0.043 0.000 1.044 427 T CA 0.999 63.133 62.100 0.058 0.000 1.139 427 T CB -0.097 68.840 68.868 0.115 0.000 0.867 427 T HN 0.282 nan 8.240 nan 0.000 0.454 428 Q N 0.120 119.934 119.800 0.024 0.000 2.269 428 Q HA 0.162 4.502 4.340 -0.000 0.000 0.201 428 Q C 2.308 178.328 176.000 0.035 0.000 0.946 428 Q CA 0.541 56.358 55.803 0.024 0.000 0.877 428 Q CB -0.285 28.460 28.738 0.012 0.000 0.963 428 Q HN 0.411 nan 8.270 nan 0.000 0.472 429 L N 0.065 121.309 121.223 0.035 0.000 2.095 429 L HA -0.027 4.312 4.340 -0.000 0.000 0.204 429 L C 1.925 178.833 176.870 0.064 0.000 1.080 429 L CA 1.325 56.201 54.840 0.060 0.000 0.759 429 L CB -0.375 41.718 42.059 0.056 0.000 0.914 429 L HN 0.076 nan 8.230 nan 0.000 0.439 430 L N -0.351 120.905 121.223 0.054 0.000 2.376 430 L HA -0.078 4.262 4.340 -0.000 0.000 0.219 430 L C 0.959 177.858 176.870 0.048 0.000 1.133 430 L CA 0.281 55.154 54.840 0.056 0.000 0.816 430 L CB -0.568 41.526 42.059 0.059 0.000 0.933 430 L HN 0.111 nan 8.230 nan 0.000 0.449 431 K N 1.715 122.139 120.400 0.041 0.000 2.466 431 K HA -0.025 4.295 4.320 -0.000 0.000 0.278 431 K C -0.008 176.611 176.600 0.031 0.000 1.048 431 K CA 0.600 56.903 56.287 0.027 0.000 1.088 431 K CB 0.248 32.759 32.500 0.017 0.000 0.884 431 K HN 0.128 nan 8.250 nan 0.000 0.478 432 Q N 2.644 122.456 119.800 0.021 0.000 2.375 432 Q HA 0.195 4.535 4.340 -0.000 0.000 0.271 432 Q C -0.875 175.132 176.000 0.012 0.000 1.074 432 Q CA -0.895 54.923 55.803 0.025 0.000 0.808 432 Q CB 1.479 30.233 28.738 0.027 0.000 1.327 432 Q HN 0.481 nan 8.270 nan 0.000 0.441 433 N N 2.103 120.817 118.700 0.023 0.000 2.482 433 N HA 0.010 4.750 4.740 -0.000 0.000 0.260 433 N C -0.700 174.815 175.510 0.009 0.000 1.236 433 N CA 0.212 53.278 53.050 0.026 0.000 0.938 433 N CB 0.966 39.486 38.487 0.055 0.000 1.128 433 N HN 0.578 nan 8.380 nan 0.000 0.448 434 Q N 0.836 120.626 119.800 -0.017 0.000 2.354 434 Q HA 0.011 4.351 4.340 -0.000 0.000 0.244 434 Q C -0.350 175.617 176.000 -0.055 0.000 0.969 434 Q CA -0.115 55.586 55.803 -0.170 0.000 0.885 434 Q CB 0.335 28.877 28.738 -0.327 0.000 1.241 434 Q HN 0.608 nan 8.270 nan 0.000 0.461 435 Y N -0.604 119.694 120.300 -0.003 0.000 4.324 435 Y HA -0.260 4.289 4.550 -0.000 0.000 0.224 435 Y C -0.109 175.820 175.900 0.049 0.000 1.113 435 Y CA 0.745 58.834 58.100 -0.018 0.000 1.887 435 Y CB -1.990 36.478 38.460 0.014 0.000 1.602 435 Y HN 0.296 nan 8.280 nan 0.000 0.654 436 S N 1.524 117.294 115.700 0.116 0.000 2.457 436 S HA 0.379 4.849 4.470 -0.000 0.000 0.216 436 S C -2.376 172.263 174.600 0.066 0.000 1.392 436 S CA -1.129 57.129 58.200 0.097 0.000 1.102 436 S CB 0.758 64.004 63.200 0.077 0.000 1.114 436 S HN -0.027 nan 8.310 nan 0.000 0.484 437 P HA 0.324 nan 4.420 nan 0.000 0.282 437 P C -0.981 176.349 177.300 0.049 0.000 1.262 437 P CA -0.329 62.808 63.100 0.062 0.000 0.773 437 P CB 0.581 32.326 31.700 0.076 0.000 0.879 438 L N 2.362 123.611 121.223 0.045 0.000 2.305 438 L HA 0.647 4.987 4.340 -0.000 0.000 0.284 438 L C 0.727 177.618 176.870 0.034 0.000 1.013 438 L CA -1.137 53.721 54.840 0.030 0.000 0.819 438 L CB 1.635 43.712 42.059 0.031 0.000 1.227 438 L HN 0.343 nan 8.230 nan 0.000 0.417 439 A N 2.145 124.971 122.820 0.011 0.000 2.429 439 A HA 0.266 4.586 4.320 -0.000 0.000 0.242 439 A C 1.301 178.902 177.584 0.028 0.000 1.088 439 A CA 0.035 52.081 52.037 0.014 0.000 0.784 439 A CB 0.222 19.197 19.000 -0.043 0.000 1.038 439 A HN 0.861 nan 8.150 nan 0.000 0.501 440 T N 0.817 115.405 114.554 0.057 0.000 2.759 440 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 440 T C 1.612 176.324 174.700 0.021 0.000 1.042 440 T CA 1.742 63.876 62.100 0.057 0.000 1.140 440 T CB -0.226 68.695 68.868 0.088 0.000 0.864 440 T HN 0.862 nan 8.240 nan 0.000 0.455 441 E N 1.658 121.856 120.200 -0.005 0.000 2.208 441 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 441 E C 1.894 178.457 176.600 -0.061 0.000 0.988 441 E CA 1.325 57.703 56.400 -0.036 0.000 0.828 441 E CB -0.422 29.246 29.700 -0.053 0.000 0.763 441 E HN 0.685 nan 8.360 nan 0.000 0.478 442 E N 0.620 120.786 120.200 -0.056 0.000 2.489 442 E HA 0.081 4.431 4.350 -0.000 0.000 0.193 442 E C 1.883 178.462 176.600 -0.035 0.000 1.057 442 E CA 1.084 57.438 56.400 -0.076 0.000 0.866 442 E CB -0.666 28.992 29.700 -0.069 0.000 0.916 442 E HN 0.595 nan 8.360 nan 0.000 0.500 443 Q N -0.306 119.495 119.800 0.001 0.000 2.387 443 Q HA 0.301 4.641 4.340 -0.000 0.000 0.208 443 Q C 2.684 178.722 176.000 0.063 0.000 0.935 443 Q CA 1.373 57.200 55.803 0.038 0.000 0.891 443 Q CB -0.870 27.896 28.738 0.046 0.000 1.007 443 Q HN 0.979 nan 8.270 nan 0.000 0.548 444 V N -1.188 118.758 119.914 0.052 0.000 2.490 444 V HA -0.090 4.030 4.120 -0.000 0.000 0.250 444 V C -0.700 175.470 176.094 0.126 0.000 1.061 444 V CA 1.875 64.225 62.300 0.082 0.000 1.064 444 V CB -1.323 30.537 31.823 0.061 0.000 0.670 444 V HN 0.424 nan 8.190 nan 0.000 0.461 445 P HA 0.063 nan 4.420 nan 0.000 0.220 445 P C 2.076 179.587 177.300 0.351 0.000 1.152 445 P CA 1.021 64.220 63.100 0.164 0.000 0.812 445 P CB -0.065 31.617 31.700 -0.029 0.000 0.792 446 L N -1.299 120.078 121.223 0.257 0.000 2.131 446 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 446 L C 2.187 179.206 176.870 0.249 0.000 1.092 446 L CA 1.346 56.374 54.840 0.313 0.000 0.759 446 L CB -0.449 41.732 42.059 0.204 0.000 0.903 446 L HN -0.056 nan 8.230 nan 0.000 0.435 447 I N -2.336 118.352 120.570 0.197 0.000 2.703 447 I HA -0.242 3.928 4.170 -0.000 0.000 0.259 447 I C 2.242 178.447 176.117 0.146 0.000 1.151 447 I CA 0.543 61.929 61.300 0.143 0.000 1.470 447 I CB -0.067 37.998 38.000 0.108 0.000 1.112 447 I HN 0.120 nan 8.210 nan 0.000 0.437 448 Y N 1.715 122.063 120.300 0.081 0.000 2.274 448 Y HA -0.243 4.307 4.550 -0.000 0.000 0.290 448 Y C 2.433 178.368 175.900 0.059 0.000 1.145 448 Y CA 1.411 59.548 58.100 0.063 0.000 1.203 448 Y CB -0.067 38.439 38.460 0.077 0.000 0.984 448 Y HN 0.138 nan 8.280 nan 0.000 0.533 449 A N -0.578 122.397 122.820 0.258 0.000 2.172 449 A HA 0.028 4.348 4.320 -0.000 0.000 0.216 449 A C 2.217 179.795 177.584 -0.010 0.000 1.154 449 A CA 1.387 53.509 52.037 0.142 0.000 0.701 449 A CB -1.202 17.928 19.000 0.217 0.000 0.789 449 A HN 0.585 nan 8.150 nan 0.000 0.465 450 G N -1.039 107.744 108.800 -0.029 0.000 2.692 450 G HA2 0.117 4.077 3.960 -0.000 0.000 0.209 450 G HA3 0.117 4.077 3.960 -0.000 0.000 0.209 450 G C 1.266 176.074 174.900 -0.154 0.000 1.166 450 G CA 0.877 45.929 45.100 -0.081 0.000 0.844 450 G HN 0.239 nan 8.290 nan 0.000 0.596 451 V N 1.909 121.716 119.914 -0.177 0.000 2.759 451 V HA -0.119 4.000 4.120 -0.000 0.000 0.256 451 V C 2.245 178.161 176.094 -0.296 0.000 1.080 451 V CA 1.450 63.604 62.300 -0.243 0.000 1.101 451 V CB -0.453 31.250 31.823 -0.201 0.000 0.698 451 V HN 0.354 nan 8.190 nan 0.000 0.477 452 N N 0.309 118.800 118.700 -0.349 0.000 2.387 452 N HA 0.096 4.836 4.740 -0.000 0.000 0.176 452 N C 1.472 176.847 175.510 -0.224 0.000 1.022 452 N CA 1.184 54.021 53.050 -0.355 0.000 0.883 452 N CB 0.695 38.825 38.487 -0.595 0.000 1.019 452 N HN 0.568 nan 8.380 nan 0.000 0.435 453 G N -0.867 107.819 108.800 -0.190 0.000 2.186 453 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.130 453 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.130 453 G C 0.240 175.071 174.900 -0.114 0.000 1.031 453 G CA 0.278 45.292 45.100 -0.142 0.000 0.697 453 G HN 0.682 nan 8.290 nan 0.000 0.494 454 H N -0.935 118.073 119.070 -0.103 0.000 2.539 454 H HA 0.707 5.263 4.556 -0.000 0.000 0.269 454 H C 2.236 177.458 175.328 -0.176 0.000 0.980 454 H CA 1.110 57.107 56.048 -0.085 0.000 1.152 454 H CB 0.241 30.003 29.762 -0.001 0.000 1.407 454 H HN 0.470 nan 8.280 nan 0.000 0.564 455 L N -0.417 120.678 121.223 -0.213 0.000 2.590 455 L HA 0.109 4.449 4.340 -0.000 0.000 0.227 455 L C 1.209 177.930 176.870 -0.248 0.000 1.099 455 L CA 0.332 54.975 54.840 -0.329 0.000 0.872 455 L CB 0.452 42.335 42.059 -0.295 0.000 1.088 455 L HN 0.344 nan 8.230 nan 0.000 0.479 456 D N 0.015 120.311 120.400 -0.174 0.000 2.219 456 D HA -0.121 4.519 4.640 -0.000 0.000 0.205 456 D C 2.142 178.369 176.300 -0.122 0.000 0.970 456 D CA 1.202 55.123 54.000 -0.131 0.000 0.851 456 D CB -0.028 40.710 40.800 -0.102 0.000 0.943 456 D HN 0.286 nan 8.370 nan 0.000 0.488 457 G N 0.498 109.217 108.800 -0.135 0.000 2.402 457 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.216 457 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.216 457 G C 0.753 175.570 174.900 -0.139 0.000 1.162 457 G CA 0.110 45.138 45.100 -0.120 0.000 0.777 457 G HN 0.217 nan 8.290 nan 0.000 0.539 458 I N 1.090 121.537 120.570 -0.204 0.000 2.779 458 I HA 0.179 4.349 4.170 -0.000 0.000 0.285 458 I C 0.275 176.291 176.117 -0.169 0.000 1.134 458 I CA -0.467 60.699 61.300 -0.224 0.000 1.398 458 I CB 0.756 38.510 38.000 -0.411 0.000 1.404 458 I HN 0.181 nan 8.210 nan 0.000 0.587 459 E N 2.413 122.539 120.200 -0.123 0.000 2.392 459 E HA 0.178 4.528 4.350 -0.000 0.000 0.256 459 E C 1.170 177.723 176.600 -0.079 0.000 1.145 459 E CA -0.168 56.183 56.400 -0.082 0.000 0.929 459 E CB 0.514 30.183 29.700 -0.051 0.000 0.998 459 E HN 0.574 nan 8.360 nan 0.000 0.442 460 L N 0.969 122.161 121.223 -0.052 0.000 2.044 460 L HA -0.152 4.187 4.340 -0.000 0.000 0.205 460 L C 2.396 179.256 176.870 -0.018 0.000 1.075 460 L CA 2.364 57.182 54.840 -0.037 0.000 0.747 460 L CB -1.851 40.196 42.059 -0.020 0.000 0.903 460 L HN 0.662 nan 8.230 nan 0.000 0.435 461 S N -0.342 115.351 115.700 -0.011 0.000 2.436 461 S HA 0.018 4.488 4.470 -0.000 0.000 0.228 461 S C 2.090 176.698 174.600 0.012 0.000 1.014 461 S CA 1.131 59.332 58.200 0.002 0.000 0.950 461 S CB -0.720 62.481 63.200 0.001 0.000 0.784 461 S HN 0.996 nan 8.310 nan 0.000 0.504 462 R N 0.603 121.105 120.500 0.004 0.000 2.363 462 R HA 0.658 4.998 4.340 -0.000 0.000 0.236 462 R C 1.856 178.192 176.300 0.061 0.000 0.966 462 R CA 0.746 56.862 56.100 0.027 0.000 1.100 462 R CB -1.966 28.337 30.300 0.006 0.000 1.125 462 R HN 0.826 nan 8.270 nan 0.000 0.514 463 I N -1.224 119.374 120.570 0.047 0.000 3.419 463 I HA 0.354 4.524 4.170 -0.000 0.000 0.286 463 I C 2.407 178.614 176.117 0.150 0.000 1.268 463 I CA 1.087 62.441 61.300 0.090 0.000 1.414 463 I CB -0.732 37.282 38.000 0.023 0.000 1.074 463 I HN 0.424 nan 8.210 nan 0.000 0.457 464 G N 0.482 109.346 108.800 0.106 0.000 2.404 464 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.215 464 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.215 464 G C 1.621 176.593 174.900 0.121 0.000 1.174 464 G CA 1.661 46.819 45.100 0.097 0.000 0.780 464 G HN 0.734 nan 8.290 nan 0.000 0.537 465 E N 0.446 120.724 120.200 0.129 0.000 2.072 465 E HA -0.037 4.312 4.350 -0.000 0.000 0.191 465 E C 2.069 178.784 176.600 0.192 0.000 0.985 465 E CA 0.977 57.458 56.400 0.135 0.000 0.801 465 E CB -0.762 29.007 29.700 0.114 0.000 0.750 465 E HN 0.449 nan 8.360 nan 0.000 0.452 466 F N 1.867 121.875 119.950 0.098 0.000 2.154 466 F HA -0.125 4.402 4.527 -0.000 0.000 0.301 466 F C 2.738 178.663 175.800 0.208 0.000 1.087 466 F CA 3.021 61.110 58.000 0.148 0.000 1.274 466 F CB -0.342 38.707 39.000 0.082 0.000 1.009 466 F HN 0.357 nan 8.300 nan 0.000 0.485 467 E N -0.015 120.331 120.200 0.243 0.000 2.047 467 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 467 E C 2.135 178.779 176.600 0.074 0.000 0.987 467 E CA 1.595 58.097 56.400 0.170 0.000 0.799 467 E CB -1.413 28.393 29.700 0.177 0.000 0.752 467 E HN 0.573 nan 8.360 nan 0.000 0.449 468 S N -0.089 115.654 115.700 0.072 0.000 2.447 468 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 468 S C 2.266 176.885 174.600 0.031 0.000 1.006 468 S CA 1.295 59.521 58.200 0.043 0.000 0.957 468 S CB 0.071 63.302 63.200 0.051 0.000 0.773 468 S HN 0.356 nan 8.310 nan 0.000 0.507 469 S N 0.680 116.409 115.700 0.048 0.000 2.439 469 S HA 0.277 4.747 4.470 -0.000 0.000 0.224 469 S C 1.158 175.759 174.600 0.002 0.000 1.029 469 S CA 0.108 58.355 58.200 0.078 0.000 0.946 469 S CB -0.382 62.921 63.200 0.171 0.000 0.797 469 S HN 0.548 nan 8.310 nan 0.000 0.504 470 F N 2.990 122.716 119.950 -0.374 0.000 2.456 470 F HA 0.159 4.686 4.527 -0.000 0.000 0.298 470 F C 2.171 177.786 175.800 -0.308 0.000 1.104 470 F CA 0.194 57.819 58.000 -0.624 0.000 1.435 470 F CB -0.746 37.753 39.000 -0.836 0.000 1.078 470 F HN 0.107 nan 8.300 nan 0.000 0.546 471 L N -1.289 119.804 121.223 -0.218 0.000 2.044 471 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 471 L C 2.553 179.315 176.870 -0.180 0.000 1.075 471 L CA 2.296 56.998 54.840 -0.230 0.000 0.747 471 L CB -1.739 40.249 42.059 -0.117 0.000 0.903 471 L HN 0.224 nan 8.230 nan 0.000 0.435 472 S N -1.623 114.022 115.700 -0.093 0.000 2.382 472 S HA -0.210 4.260 4.470 -0.000 0.000 0.228 472 S C 2.028 176.602 174.600 -0.044 0.000 1.027 472 S CA 1.488 59.659 58.200 -0.049 0.000 0.991 472 S CB -0.661 62.544 63.200 0.009 0.000 0.823 472 S HN 0.867 nan 8.310 nan 0.000 0.469 473 Y N 1.708 121.886 120.300 -0.202 0.000 2.333 473 Y HA -0.015 4.535 4.550 -0.000 0.000 0.290 473 Y C 1.541 177.348 175.900 -0.155 0.000 1.144 473 Y CA 1.077 59.059 58.100 -0.196 0.000 1.228 473 Y CB -0.198 37.986 38.460 -0.459 0.000 0.985 473 Y HN 0.174 nan 8.280 nan 0.000 0.542 474 L N -0.562 120.430 121.223 -0.385 0.000 2.357 474 L HA 0.099 4.439 4.340 -0.000 0.000 0.211 474 L C 2.692 179.405 176.870 -0.260 0.000 1.075 474 L CA 0.736 55.333 54.840 -0.405 0.000 0.830 474 L CB -0.836 40.962 42.059 -0.434 0.000 0.996 474 L HN 0.036 nan 8.230 nan 0.000 0.467 475 K N 0.909 121.185 120.400 -0.206 0.000 2.071 475 K HA -0.300 4.019 4.320 -0.000 0.000 0.217 475 K C 2.141 178.661 176.600 -0.134 0.000 1.054 475 K CA 2.636 58.833 56.287 -0.150 0.000 0.937 475 K CB -1.466 30.965 32.500 -0.116 0.000 0.719 475 K HN 0.575 nan 8.250 nan 0.000 0.454 476 S N -1.419 114.200 115.700 -0.135 0.000 2.559 476 S HA 0.082 4.552 4.470 -0.000 0.000 0.226 476 S C 1.693 176.201 174.600 -0.155 0.000 1.030 476 S CA 0.434 58.560 58.200 -0.122 0.000 0.956 476 S CB -0.013 63.132 63.200 -0.092 0.000 0.900 476 S HN 0.696 nan 8.310 nan 0.000 0.510 477 N N 1.643 120.216 118.700 -0.212 0.000 2.124 477 N HA 0.041 4.781 4.740 -0.000 0.000 0.189 477 N C 0.617 175.897 175.510 -0.383 0.000 1.050 477 N CA 1.000 53.865 53.050 -0.308 0.000 0.848 477 N CB -0.261 37.986 38.487 -0.399 0.000 1.027 477 N HN 0.340 nan 8.380 nan 0.000 0.435 478 H N 0.504 119.388 119.070 -0.311 0.000 2.638 478 H HA 0.152 4.708 4.556 -0.000 0.000 0.293 478 H C 0.220 175.432 175.328 -0.192 0.000 1.316 478 H CA -0.037 55.867 56.048 -0.241 0.000 1.099 478 H CB -0.266 29.324 29.762 -0.287 0.000 1.515 478 H HN 0.244 nan 8.280 nan 0.000 0.505 479 N N 1.100 119.740 118.700 -0.099 0.000 2.609 479 N HA -0.112 4.628 4.740 -0.000 0.000 0.190 479 N C 1.438 176.906 175.510 -0.069 0.000 1.157 479 N CA 0.385 53.380 53.050 -0.093 0.000 0.918 479 N CB 0.371 38.799 38.487 -0.098 0.000 0.978 479 N HN 0.370 nan 8.380 nan 0.000 0.448 480 E N -0.188 119.981 120.200 -0.051 0.000 2.047 480 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 480 E C 2.343 178.918 176.600 -0.043 0.000 0.987 480 E CA 1.332 57.708 56.400 -0.040 0.000 0.799 480 E CB -0.961 28.725 29.700 -0.024 0.000 0.752 480 E HN 0.460 nan 8.360 nan 0.000 0.449 481 L N 1.439 122.633 121.223 -0.048 0.000 2.131 481 L HA 0.177 4.517 4.340 -0.000 0.000 0.206 481 L C 3.040 179.870 176.870 -0.067 0.000 1.087 481 L CA 2.007 56.812 54.840 -0.059 0.000 0.767 481 L CB -2.062 39.951 42.059 -0.077 0.000 0.917 481 L HN 0.280 nan 8.230 nan 0.000 0.441 482 L N -1.491 119.683 121.223 -0.081 0.000 2.291 482 L HA -0.017 4.323 4.340 -0.000 0.000 0.214 482 L C 2.588 179.416 176.870 -0.071 0.000 1.120 482 L CA 2.590 57.378 54.840 -0.087 0.000 0.799 482 L CB -2.036 39.955 42.059 -0.113 0.000 0.925 482 L HN 0.621 nan 8.230 nan 0.000 0.446 483 T N -1.197 113.320 114.554 -0.063 0.000 3.044 483 T HA 0.227 4.577 4.350 -0.000 0.000 0.255 483 T C 2.219 176.895 174.700 -0.040 0.000 1.073 483 T CA 1.101 63.169 62.100 -0.054 0.000 1.125 483 T CB 0.003 68.839 68.868 -0.053 0.000 0.908 483 T HN 0.818 nan 8.240 nan 0.000 0.480 484 E N 0.987 121.165 120.200 -0.037 0.000 2.230 484 E HA 0.274 4.624 4.350 -0.000 0.000 0.192 484 E C 2.170 178.758 176.600 -0.020 0.000 0.987 484 E CA 0.931 57.315 56.400 -0.026 0.000 0.841 484 E CB -1.192 28.492 29.700 -0.026 0.000 0.783 484 E HN 0.665 nan 8.360 nan 0.000 0.481 485 I N 1.000 121.556 120.570 -0.025 0.000 2.333 485 I HA 0.243 4.413 4.170 -0.000 0.000 0.246 485 I C 2.954 179.071 176.117 -0.000 0.000 1.106 485 I CA 2.226 63.518 61.300 -0.013 0.000 1.411 485 I CB -1.730 36.258 38.000 -0.020 0.000 1.082 485 I HN 0.634 nan 8.210 nan 0.000 0.420 486 R N 0.773 121.266 120.500 -0.011 0.000 2.091 486 R HA -0.103 4.237 4.340 -0.000 0.000 0.238 486 R C 2.301 178.608 176.300 0.012 0.000 1.136 486 R CA 2.815 58.913 56.100 -0.004 0.000 0.959 486 R CB -1.834 28.443 30.300 -0.038 0.000 0.856 486 R HN 0.996 nan 8.270 nan 0.000 0.437 487 E N -0.279 119.921 120.200 0.001 0.000 2.140 487 E HA 0.106 4.456 4.350 -0.000 0.000 0.191 487 E C 2.341 178.952 176.600 0.017 0.000 0.973 487 E CA 1.716 58.121 56.400 0.008 0.000 0.829 487 E CB -0.586 29.111 29.700 -0.004 0.000 0.781 487 E HN 0.792 nan 8.360 nan 0.000 0.466 488 K N -1.094 119.314 120.400 0.013 0.000 2.141 488 K HA 0.462 4.782 4.320 -0.000 0.000 0.202 488 K C 2.293 178.906 176.600 0.022 0.000 1.045 488 K CA 1.555 57.851 56.287 0.015 0.000 0.971 488 K CB -0.457 32.047 32.500 0.006 0.000 0.795 488 K HN 1.499 nan 8.250 nan 0.000 0.459 489 G N -1.639 107.174 108.800 0.023 0.000 2.175 489 G HA2 0.103 4.063 3.960 -0.000 0.000 0.244 489 G HA3 0.103 4.063 3.960 -0.000 0.000 0.244 489 G C 0.353 175.268 174.900 0.024 0.000 0.982 489 G CA 1.342 46.460 45.100 0.030 0.000 0.641 489 G HN 1.376 nan 8.290 nan 0.000 0.527 490 E N -2.034 118.177 120.200 0.017 0.000 2.447 490 E HA 1.100 5.450 4.350 -0.000 0.000 0.258 490 E C -0.246 176.360 176.600 0.010 0.000 0.916 490 E CA -0.062 56.347 56.400 0.017 0.000 0.846 490 E CB 1.118 30.828 29.700 0.016 0.000 1.517 490 E HN 2.096 nan 8.360 nan 0.000 0.418 491 L N 1.045 122.275 121.223 0.012 0.000 2.611 491 L HA 0.771 5.110 4.340 -0.000 0.000 0.263 491 L C 0.428 177.304 176.870 0.011 0.000 0.969 491 L CA -0.387 54.456 54.840 0.005 0.000 0.894 491 L CB 0.479 42.539 42.059 0.001 0.000 1.229 491 L HN 1.271 nan 8.230 nan 0.000 0.416 492 S N 1.637 117.341 115.700 0.006 0.000 2.632 492 S HA 0.656 5.126 4.470 -0.000 0.000 0.267 492 S C 1.718 176.324 174.600 0.010 0.000 1.193 492 S CA 0.598 58.803 58.200 0.010 0.000 1.003 492 S CB 0.749 63.953 63.200 0.007 0.000 1.073 492 S HN 2.067 nan 8.310 nan 0.000 0.553 493 K N -0.229 120.179 120.400 0.013 0.000 2.281 493 K HA -0.091 4.228 4.320 -0.000 0.000 0.203 493 K C 1.763 178.368 176.600 0.009 0.000 1.046 493 K CA 2.084 58.380 56.287 0.016 0.000 0.938 493 K CB -1.345 31.164 32.500 0.016 0.000 0.737 493 K HN 0.721 nan 8.250 nan 0.000 0.458 494 E N -0.028 120.174 120.200 0.002 0.000 2.006 494 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 494 E C 1.843 178.433 176.600 -0.016 0.000 0.993 494 E CA 0.931 57.329 56.400 -0.003 0.000 0.808 494 E CB -0.324 29.374 29.700 -0.004 0.000 0.764 494 E HN 0.342 nan 8.360 nan 0.000 0.449 495 L N 0.506 121.714 121.223 -0.024 0.000 2.549 495 L HA -0.016 4.324 4.340 -0.000 0.000 0.229 495 L C 1.693 178.511 176.870 -0.086 0.000 1.158 495 L CA 0.660 55.470 54.840 -0.050 0.000 0.842 495 L CB -0.192 41.839 42.059 -0.047 0.000 0.952 495 L HN 0.134 nan 8.230 nan 0.000 0.452 496 L N -0.738 120.453 121.223 -0.053 0.000 2.007 496 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 496 L C 2.454 179.286 176.870 -0.064 0.000 1.073 496 L CA 1.947 56.755 54.840 -0.053 0.000 0.744 496 L CB -0.715 41.364 42.059 0.033 0.000 0.898 496 L HN 0.196 nan 8.230 nan 0.000 0.435 497 A N -1.900 120.910 122.820 -0.016 0.000 2.066 497 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 497 A C 2.471 180.042 177.584 -0.023 0.000 1.157 497 A CA 1.501 53.537 52.037 -0.001 0.000 0.670 497 A CB -0.864 18.146 19.000 0.016 0.000 0.804 497 A HN 0.521 nan 8.150 nan 0.000 0.453 498 S N -0.784 114.890 115.700 -0.043 0.000 2.383 498 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 498 S C 1.802 176.350 174.600 -0.088 0.000 1.026 498 S CA 1.484 59.657 58.200 -0.045 0.000 0.981 498 S CB -0.320 62.855 63.200 -0.042 0.000 0.818 498 S HN 0.412 nan 8.310 nan 0.000 0.472 499 L N 1.777 122.899 121.223 -0.167 0.000 2.270 499 L HA 0.261 4.601 4.340 -0.000 0.000 0.210 499 L C 2.630 179.398 176.870 -0.171 0.000 1.104 499 L CA 1.886 56.581 54.840 -0.241 0.000 0.804 499 L CB -0.909 40.868 42.059 -0.470 0.000 0.937 499 L HN 0.391 nan 8.230 nan 0.000 0.450 500 K N -1.502 118.832 120.400 -0.110 0.000 2.288 500 K HA 0.015 4.335 4.320 -0.000 0.000 0.201 500 K C 2.057 178.688 176.600 0.052 0.000 1.048 500 K CA 1.470 57.775 56.287 0.028 0.000 0.956 500 K CB -1.021 31.526 32.500 0.078 0.000 0.746 500 K HN 0.469 nan 8.250 nan 0.000 0.461 501 S N 0.173 115.888 115.700 0.024 0.000 2.414 501 S HA 0.128 4.598 4.470 -0.000 0.000 0.227 501 S C 2.536 177.174 174.600 0.063 0.000 1.022 501 S CA 0.769 59.005 58.200 0.060 0.000 0.958 501 S CB -0.044 63.203 63.200 0.077 0.000 0.797 501 S HN 0.759 nan 8.310 nan 0.000 0.493 502 A N 1.591 124.362 122.820 -0.082 0.000 1.872 502 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 502 A C 2.299 180.043 177.584 0.266 0.000 1.187 502 A CA 1.846 53.790 52.037 -0.155 0.000 0.614 502 A CB -1.169 17.492 19.000 -0.564 0.000 0.826 502 A HN 0.476 nan 8.150 nan 0.000 0.442 503 T N -0.259 114.428 114.554 0.221 0.000 2.809 503 T HA 0.097 4.447 4.350 -0.000 0.000 0.260 503 T C 2.248 177.038 174.700 0.149 0.000 1.039 503 T CA 1.814 64.034 62.100 0.201 0.000 1.141 503 T CB -0.585 68.403 68.868 0.200 0.000 0.869 503 T HN 0.698 nan 8.240 nan 0.000 0.437 504 E N 1.416 121.692 120.200 0.127 0.000 2.110 504 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 504 E C 2.254 178.904 176.600 0.083 0.000 0.988 504 E CA 1.627 58.080 56.400 0.089 0.000 0.804 504 E CB -1.093 28.655 29.700 0.080 0.000 0.745 504 E HN 0.471 nan 8.360 nan 0.000 0.458 505 S N -1.504 114.272 115.700 0.127 0.000 2.383 505 S HA -0.007 4.463 4.470 -0.000 0.000 0.227 505 S C 1.630 176.285 174.600 0.093 0.000 1.026 505 S CA 1.048 59.327 58.200 0.131 0.000 0.981 505 S CB -0.413 62.919 63.200 0.220 0.000 0.818 505 S HN 0.559 nan 8.310 nan 0.000 0.472 506 F N 1.713 121.603 119.950 -0.100 0.000 2.710 506 F HA 0.305 4.832 4.527 -0.000 0.000 0.298 506 F C 0.835 176.569 175.800 -0.111 0.000 1.137 506 F CA -0.020 57.832 58.000 -0.247 0.000 1.444 506 F CB 0.064 38.755 39.000 -0.515 0.000 1.111 506 F HN -0.051 nan 8.300 nan 0.000 0.580 507 V N 0.000 119.912 119.914 -0.003 0.000 2.409 507 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 507 V CA 0.000 62.270 62.300 -0.051 0.000 1.235 507 V CB 0.000 31.808 31.823 -0.024 0.000 1.184 507 V HN 0.000 nan 8.190 nan 0.000 0.556