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 1gz3_1_A DATA FIRST_RESID 20 DATA SEQUENCE HIKEKGKPLM LNPRTNKGMA FTLQERQMLG LQGLLPPKIE TQDIQALRFH DATA SEQUENCE RNLKKMTSPL EKYIYIMGIQ ERNEKLFYRI LQDDIESLMP IVYTPTVGLA DATA SEQUENCE CSQYGHIFRR PKGLFISISD RGHVRSIVDN WPENHVKAVV VTDGERILGL DATA SEQUENCE GDLGVYGMGI PVGKLCLYTA CAGIRPDQCL PVCIDVGTDN IALLKDPFYM DATA SEQUENCE GLYQKRDRTQ QYDDLIDEFM KAITDRYGRN TLIQFEDFGN HNAFRFLRKY DATA SEQUENCE REKYCTFNDD IQGTAAVALA GLLAAQKVIS KPISEHKILF LGAGEAALGI DATA SEQUENCE ANLIVMSMVE NGLSEQEAQK KIWMFDKYGL LVKGRKAKID SYQEPFTHSA DATA SEQUENCE PESIPDTFED AVNILKPSTI IGVAGAGRLF TPDVIRAMAS INERPVIFAL DATA SEQUENCE SNPTAQAECT AEEAYTLTEG RCLFASGSPF GPVKLTDGRV FTPGQGNNVY DATA SEQUENCE IFPGVALAVI LCNTRHISDS VFLEAAKALT SQLTDEELAQ GRLYPPLANI DATA SEQUENCE QEVSINIAIK VTEYLYANKM AFVYPEPEDK AKYVKEQTWR SEYDSLLPDV DATA SEQUENCE YEWP 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 20 H HA 0.000 nan 4.556 nan 0.000 0.296 20 H C 0.000 175.358 175.328 0.050 0.000 0.993 20 H CA 0.000 56.076 56.048 0.047 0.000 1.023 20 H CB 0.000 29.788 29.762 0.043 0.000 1.292 21 I N 4.477 124.801 120.570 -0.410 0.000 2.689 21 I HA 0.307 4.474 4.170 -0.004 0.000 0.299 21 I C 0.694 176.605 176.117 -0.343 0.000 1.059 21 I CA -0.758 60.398 61.300 -0.239 0.000 1.055 21 I CB 1.988 39.941 38.000 -0.077 0.000 1.243 21 I HN 0.509 nan 8.210 nan 0.000 0.425 22 K N 2.062 122.364 120.400 -0.162 0.000 2.404 22 K HA 0.211 4.529 4.320 -0.004 0.000 0.194 22 K C -0.036 176.526 176.600 -0.063 0.000 1.023 22 K CA 0.242 56.471 56.287 -0.096 0.000 1.094 22 K CB 0.071 32.573 32.500 0.004 0.000 0.841 22 K HN 0.509 nan 8.250 nan 0.000 0.523 23 E N 1.205 121.367 120.200 -0.063 0.000 2.227 23 E HA 0.266 4.613 4.350 -0.004 0.000 0.268 23 E C -0.985 175.580 176.600 -0.059 0.000 0.907 23 E CA -0.605 55.767 56.400 -0.047 0.000 0.786 23 E CB 1.248 30.931 29.700 -0.029 0.000 1.191 23 E HN 0.015 nan 8.360 nan 0.000 0.411 24 K N 1.349 121.713 120.400 -0.061 0.000 2.466 24 K HA 0.837 5.154 4.320 -0.004 0.000 0.260 24 K C 0.122 176.672 176.600 -0.084 0.000 1.011 24 K CA -0.550 55.690 56.287 -0.078 0.000 0.871 24 K CB 1.514 33.969 32.500 -0.074 0.000 1.404 24 K HN 0.699 nan 8.250 nan 0.000 0.450 25 G N 1.538 110.270 108.800 -0.113 0.000 2.642 25 G HA2 -0.337 3.620 3.960 -0.004 0.000 0.231 25 G HA3 -0.337 3.620 3.960 -0.004 0.000 0.231 25 G C 0.418 175.248 174.900 -0.115 0.000 1.338 25 G CA 0.507 45.540 45.100 -0.111 0.000 0.883 25 G HN 0.856 nan 8.290 nan 0.000 0.570 26 K N 1.026 121.372 120.400 -0.090 0.000 2.107 26 K HA -0.108 4.209 4.320 -0.004 0.000 0.211 26 K C 0.180 176.748 176.600 -0.054 0.000 1.049 26 K CA 2.966 59.210 56.287 -0.072 0.000 0.927 26 K CB -1.321 31.148 32.500 -0.051 0.000 0.714 26 K HN 0.334 nan 8.250 nan 0.000 0.452 27 P HA -0.163 nan 4.420 nan 0.000 0.218 27 P C 0.947 178.239 177.300 -0.013 0.000 1.146 27 P CA 1.193 64.275 63.100 -0.029 0.000 0.820 27 P CB 0.000 31.681 31.700 -0.031 0.000 0.778 28 L N -2.591 118.618 121.223 -0.024 0.000 2.201 28 L HA -0.093 4.244 4.340 -0.004 0.000 0.212 28 L C 2.294 179.232 176.870 0.114 0.000 1.105 28 L CA 1.289 56.147 54.840 0.030 0.000 0.775 28 L CB -0.510 41.528 42.059 -0.034 0.000 0.913 28 L HN 0.044 nan 8.230 nan 0.000 0.440 29 M N -1.306 118.324 119.600 0.050 0.000 2.394 29 M HA -0.051 4.426 4.480 -0.004 0.000 0.266 29 M C 2.007 178.346 176.300 0.064 0.000 1.098 29 M CA 1.069 56.431 55.300 0.105 0.000 1.149 29 M CB 0.087 32.711 32.600 0.039 0.000 1.369 29 M HN 0.148 nan 8.290 nan 0.000 0.450 30 L N -0.079 121.158 121.223 0.024 0.000 2.291 30 L HA -0.060 4.277 4.340 -0.004 0.000 0.214 30 L C 0.951 177.823 176.870 0.003 0.000 1.120 30 L CA 0.245 55.088 54.840 0.006 0.000 0.799 30 L CB -0.560 41.493 42.059 -0.010 0.000 0.925 30 L HN 0.263 nan 8.230 nan 0.000 0.446 31 N N 0.934 119.644 118.700 0.016 0.000 2.420 31 N HA 0.097 4.835 4.740 -0.004 0.000 0.249 31 N C -1.628 173.898 175.510 0.027 0.000 1.033 31 N CA -2.235 50.819 53.050 0.007 0.000 0.944 31 N CB 1.305 39.797 38.487 0.008 0.000 1.113 31 N HN -0.128 nan 8.380 nan 0.000 0.502 32 P HA -0.164 nan 4.420 nan 0.000 0.219 32 P C 1.092 178.420 177.300 0.048 0.000 1.146 32 P CA 0.869 63.975 63.100 0.010 0.000 0.808 32 P CB 0.573 32.249 31.700 -0.040 0.000 0.779 33 R N 0.635 121.163 120.500 0.047 0.000 2.092 33 R HA -0.080 4.258 4.340 -0.004 0.000 0.231 33 R C 2.231 178.604 176.300 0.121 0.000 1.119 33 R CA 2.387 58.539 56.100 0.088 0.000 0.970 33 R CB -1.130 29.203 30.300 0.055 0.000 0.864 33 R HN 0.296 nan 8.270 nan 0.000 0.440 34 T N -3.166 111.448 114.554 0.100 0.000 3.023 34 T HA 0.112 4.459 4.350 -0.004 0.000 0.249 34 T C 0.646 175.407 174.700 0.100 0.000 1.050 34 T CA -0.194 61.975 62.100 0.116 0.000 1.088 34 T CB -0.364 68.583 68.868 0.132 0.000 0.946 34 T HN 0.086 nan 8.240 nan 0.000 0.480 35 N N 2.057 120.827 118.700 0.116 0.000 2.411 35 N HA 0.053 4.790 4.740 -0.004 0.000 0.261 35 N C 0.411 175.818 175.510 -0.172 0.000 1.248 35 N CA 0.384 53.498 53.050 0.106 0.000 0.885 35 N CB 0.564 39.121 38.487 0.116 0.000 1.062 35 N HN 0.382 nan 8.380 nan 0.000 0.471 36 K N 2.236 122.229 120.400 -0.678 0.000 2.402 36 K HA 0.226 4.544 4.320 -0.004 0.000 0.204 36 K C 1.057 177.374 176.600 -0.471 0.000 1.056 36 K CA 0.089 55.832 56.287 -0.906 0.000 1.069 36 K CB 0.337 31.779 32.500 -1.764 0.000 0.888 36 K HN 0.779 nan 8.250 nan 0.000 0.546 37 G N 2.383 111.112 108.800 -0.118 0.000 2.566 37 G HA2 -0.385 3.572 3.960 -0.004 0.000 0.280 37 G HA3 -0.385 3.572 3.960 -0.004 0.000 0.280 37 G C 0.631 175.575 174.900 0.074 0.000 1.225 37 G CA 0.333 45.462 45.100 0.049 0.000 0.966 37 G HN 0.210 nan 8.290 nan 0.000 0.560 38 M N 1.695 121.321 119.600 0.044 0.000 2.722 38 M HA 0.178 4.655 4.480 -0.004 0.000 0.238 38 M C 2.440 178.737 176.300 -0.005 0.000 1.098 38 M CA 1.133 56.463 55.300 0.049 0.000 1.062 38 M CB -0.179 32.447 32.600 0.045 0.000 1.573 38 M HN 0.688 nan 8.290 nan 0.000 0.531 39 A N -0.255 122.483 122.820 -0.137 0.000 2.218 39 A HA 0.147 4.464 4.320 -0.004 0.000 0.209 39 A C 0.449 177.850 177.584 -0.305 0.000 1.168 39 A CA -0.157 51.727 52.037 -0.255 0.000 0.804 39 A CB -0.312 18.383 19.000 -0.507 0.000 0.834 39 A HN 0.339 nan 8.150 nan 0.000 0.482 40 F N 2.054 121.884 119.950 -0.200 0.000 2.578 40 F HA 0.176 4.700 4.527 -0.005 0.000 0.376 40 F C 1.685 177.426 175.800 -0.098 0.000 1.085 40 F CA 0.657 58.564 58.000 -0.157 0.000 1.260 40 F CB 0.700 39.632 39.000 -0.114 0.000 1.095 40 F HN 0.190 nan 8.300 nan 0.000 0.573 41 T N 1.641 116.262 114.554 0.112 0.000 2.813 41 T HA 0.087 4.434 4.350 -0.004 0.000 0.297 41 T C 1.026 175.761 174.700 0.058 0.000 1.036 41 T CA -0.904 61.231 62.100 0.060 0.000 1.044 41 T CB 0.936 69.827 68.868 0.039 0.000 0.993 41 T HN 0.568 nan 8.240 nan 0.000 0.535 42 L N 0.764 122.006 121.223 0.032 0.000 2.012 42 L HA -0.061 4.277 4.340 -0.004 0.000 0.210 42 L C 2.913 179.786 176.870 0.006 0.000 1.073 42 L CA 1.807 56.656 54.840 0.015 0.000 0.748 42 L CB -1.117 40.947 42.059 0.009 0.000 0.891 42 L HN 0.839 nan 8.230 nan 0.000 0.431 43 Q N -0.724 119.083 119.800 0.011 0.000 2.084 43 Q HA -0.235 4.102 4.340 -0.004 0.000 0.202 43 Q C 2.089 178.090 176.000 0.002 0.000 0.978 43 Q CA 1.995 57.800 55.803 0.005 0.000 0.844 43 Q CB -0.074 28.671 28.738 0.011 0.000 0.898 43 Q HN 0.657 nan 8.270 nan 0.000 0.426 44 E N 0.088 120.302 120.200 0.024 0.000 2.077 44 E HA -0.181 4.167 4.350 -0.004 0.000 0.193 44 E C 2.058 178.627 176.600 -0.051 0.000 0.989 44 E CA 0.776 57.192 56.400 0.026 0.000 0.800 44 E CB -0.008 29.772 29.700 0.133 0.000 0.746 44 E HN 0.258 nan 8.360 nan 0.000 0.452 45 R N 0.745 121.210 120.500 -0.060 0.000 2.075 45 R HA -0.135 4.202 4.340 -0.004 0.000 0.232 45 R C 2.430 178.668 176.300 -0.103 0.000 1.126 45 R CA 1.332 57.353 56.100 -0.132 0.000 0.963 45 R CB -0.193 30.055 30.300 -0.087 0.000 0.858 45 R HN 0.250 nan 8.270 nan 0.000 0.435 46 Q N 0.046 119.809 119.800 -0.062 0.000 2.079 46 Q HA -0.062 4.276 4.340 -0.004 0.000 0.200 46 Q C 2.127 178.093 176.000 -0.057 0.000 0.974 46 Q CA 1.276 57.047 55.803 -0.053 0.000 0.840 46 Q CB 0.004 28.720 28.738 -0.035 0.000 0.898 46 Q HN 0.341 nan 8.270 nan 0.000 0.430 47 M N 0.038 119.607 119.600 -0.051 0.000 2.319 47 M HA -0.052 4.425 4.480 -0.004 0.000 0.265 47 M C 1.357 177.618 176.300 -0.065 0.000 1.068 47 M CA 1.036 56.306 55.300 -0.050 0.000 1.118 47 M CB 0.288 32.868 32.600 -0.034 0.000 1.395 47 M HN 0.175 nan 8.290 nan 0.000 0.435 48 L N -0.702 120.468 121.223 -0.090 0.000 2.628 48 L HA 0.272 4.609 4.340 -0.004 0.000 0.229 48 L C 0.928 177.718 176.870 -0.134 0.000 1.137 48 L CA -0.152 54.620 54.840 -0.114 0.000 0.909 48 L CB -0.204 41.768 42.059 -0.144 0.000 1.137 48 L HN 0.512 nan 8.230 nan 0.000 0.470 49 G N 0.880 109.611 108.800 -0.116 0.000 2.246 49 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.273 49 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.273 49 G C 0.524 175.341 174.900 -0.138 0.000 1.055 49 G CA 0.301 45.336 45.100 -0.109 0.000 0.851 49 G HN 0.388 nan 8.290 nan 0.000 0.500 50 L N -0.998 120.118 121.223 -0.178 0.000 2.638 50 L HA 0.235 4.572 4.340 -0.004 0.000 0.232 50 L C 1.363 178.148 176.870 -0.143 0.000 1.099 50 L CA -0.356 54.356 54.840 -0.213 0.000 0.883 50 L CB -0.033 41.790 42.059 -0.393 0.000 1.136 50 L HN 0.181 nan 8.230 nan 0.000 0.492 51 Q N 1.220 120.956 119.800 -0.107 0.000 2.283 51 Q HA 0.064 4.401 4.340 -0.004 0.000 0.301 51 Q C 1.245 177.211 176.000 -0.058 0.000 1.063 51 Q CA 1.441 57.203 55.803 -0.070 0.000 0.952 51 Q CB 0.732 29.437 28.738 -0.054 0.000 1.166 51 Q HN 0.474 nan 8.270 nan 0.000 0.381 52 G N 2.454 111.227 108.800 -0.044 0.000 2.299 52 G HA2 -0.284 3.674 3.960 -0.004 0.000 0.237 52 G HA3 -0.284 3.674 3.960 -0.004 0.000 0.237 52 G C 0.711 175.590 174.900 -0.035 0.000 1.027 52 G CA 0.302 45.381 45.100 -0.035 0.000 0.619 52 G HN 0.545 nan 8.290 nan 0.000 0.513 53 L N 0.240 121.432 121.223 -0.050 0.000 2.492 53 L HA 0.442 4.779 4.340 -0.004 0.000 0.223 53 L C 1.026 177.877 176.870 -0.031 0.000 1.132 53 L CA 0.445 55.257 54.840 -0.047 0.000 0.850 53 L CB -0.063 41.952 42.059 -0.073 0.000 0.966 53 L HN 0.211 nan 8.230 nan 0.000 0.454 54 L N -1.033 120.174 121.223 -0.025 0.000 2.354 54 L HA 0.490 4.827 4.340 -0.004 0.000 0.264 54 L C -2.277 174.597 176.870 0.006 0.000 1.008 54 L CA -1.955 52.886 54.840 0.003 0.000 0.819 54 L CB 1.615 43.686 42.059 0.020 0.000 1.339 54 L HN -0.266 nan 8.230 nan 0.000 0.420 55 P HA 0.127 nan 4.420 nan 0.000 0.269 55 P C -2.128 175.180 177.300 0.014 0.000 1.215 55 P CA -0.918 62.190 63.100 0.013 0.000 0.780 55 P CB 0.116 31.827 31.700 0.019 0.000 0.898 56 P HA -0.172 nan 4.420 nan 0.000 0.218 56 P C 0.149 177.457 177.300 0.014 0.000 1.146 56 P CA 1.323 64.428 63.100 0.008 0.000 0.813 56 P CB 0.006 31.709 31.700 0.005 0.000 0.778 57 K N 0.933 121.344 120.400 0.018 0.000 2.484 57 K HA 0.023 4.340 4.320 -0.004 0.000 0.280 57 K C -0.255 176.362 176.600 0.027 0.000 1.013 57 K CA 0.606 56.907 56.287 0.022 0.000 1.029 57 K CB -0.280 32.234 32.500 0.024 0.000 0.902 57 K HN -0.088 nan 8.250 nan 0.000 0.481 58 I N 4.706 125.291 120.570 0.025 0.000 2.330 58 I HA 0.257 4.424 4.170 -0.004 0.000 0.289 58 I C 0.152 176.285 176.117 0.027 0.000 1.001 58 I CA -0.340 60.976 61.300 0.027 0.000 1.193 58 I CB 1.151 39.165 38.000 0.023 0.000 1.345 58 I HN 0.759 nan 8.210 nan 0.000 0.461 59 E N 3.586 123.802 120.200 0.027 0.000 2.249 59 E HA 0.559 4.906 4.350 -0.004 0.000 0.263 59 E C -0.255 176.373 176.600 0.047 0.000 0.950 59 E CA -0.728 55.695 56.400 0.037 0.000 0.827 59 E CB 2.143 31.870 29.700 0.045 0.000 1.220 59 E HN 0.615 nan 8.360 nan 0.000 0.411 60 T N -2.069 112.523 114.554 0.064 0.000 2.943 60 T HA 0.129 4.476 4.350 -0.004 0.000 0.284 60 T C 0.890 175.663 174.700 0.120 0.000 1.015 60 T CA -0.740 61.411 62.100 0.086 0.000 1.042 60 T CB 1.736 70.639 68.868 0.058 0.000 1.055 60 T HN 0.488 nan 8.240 nan 0.000 0.500 61 Q N -0.033 119.859 119.800 0.153 0.000 2.170 61 Q HA -0.184 4.154 4.340 -0.004 0.000 0.203 61 Q C 1.119 177.142 176.000 0.038 0.000 0.976 61 Q CA 1.740 57.599 55.803 0.095 0.000 0.858 61 Q CB -0.140 28.527 28.738 -0.119 0.000 0.907 61 Q HN 0.711 nan 8.270 nan 0.000 0.433 62 D N 0.319 120.741 120.400 0.037 0.000 2.104 62 D HA -0.176 4.461 4.640 -0.004 0.000 0.194 62 D C 1.782 178.122 176.300 0.066 0.000 0.994 62 D CA 0.923 54.949 54.000 0.043 0.000 0.830 62 D CB -0.147 40.674 40.800 0.035 0.000 0.959 62 D HN 0.259 nan 8.370 nan 0.000 0.452 63 I N 0.991 121.600 120.570 0.065 0.000 2.226 63 I HA -0.225 3.942 4.170 -0.004 0.000 0.245 63 I C 2.302 178.468 176.117 0.082 0.000 1.100 63 I CA 1.200 62.542 61.300 0.070 0.000 1.374 63 I CB -1.051 36.985 38.000 0.060 0.000 1.057 63 I HN 0.141 nan 8.210 nan 0.000 0.413 64 Q N 0.413 120.263 119.800 0.083 0.000 2.084 64 Q HA -0.153 4.185 4.340 -0.004 0.000 0.202 64 Q C 2.402 178.453 176.000 0.085 0.000 0.978 64 Q CA 1.919 57.774 55.803 0.087 0.000 0.844 64 Q CB -0.240 28.554 28.738 0.094 0.000 0.898 64 Q HN 0.551 nan 8.270 nan 0.000 0.426 65 A N 0.829 123.689 122.820 0.068 0.000 1.972 65 A HA -0.148 4.169 4.320 -0.004 0.000 0.219 65 A C 1.993 179.686 177.584 0.181 0.000 1.169 65 A CA 0.843 52.921 52.037 0.069 0.000 0.635 65 A CB -0.593 18.463 19.000 0.094 0.000 0.810 65 A HN 0.393 nan 8.150 nan 0.000 0.446 66 L N -0.842 120.492 121.223 0.184 0.000 2.056 66 L HA -0.160 4.178 4.340 -0.004 0.000 0.207 66 L C 2.766 179.728 176.870 0.153 0.000 1.078 66 L CA 1.783 56.740 54.840 0.196 0.000 0.749 66 L CB -0.334 41.799 42.059 0.124 0.000 0.901 66 L HN 0.524 nan 8.230 nan 0.000 0.433 67 R N -0.613 119.962 120.500 0.126 0.000 2.091 67 R HA -0.276 4.061 4.340 -0.004 0.000 0.238 67 R C 2.349 178.727 176.300 0.130 0.000 1.136 67 R CA 2.185 58.352 56.100 0.112 0.000 0.959 67 R CB -0.586 29.782 30.300 0.113 0.000 0.856 67 R HN 0.370 nan 8.270 nan 0.000 0.437 68 F N 0.979 120.930 119.950 0.001 0.000 2.075 68 F HA -0.208 4.318 4.527 -0.003 0.000 0.297 68 F C 1.855 177.653 175.800 -0.004 0.000 1.113 68 F CA 2.248 60.230 58.000 -0.029 0.000 1.218 68 F CB -0.577 38.257 39.000 -0.275 0.000 0.984 68 F HN 0.154 nan 8.300 nan 0.000 0.472 69 H N -1.010 118.024 119.070 -0.059 0.000 2.421 69 H HA -0.108 4.445 4.556 -0.005 0.000 0.298 69 H C 2.242 177.481 175.328 -0.148 0.000 1.087 69 H CA 1.409 57.358 56.048 -0.165 0.000 1.330 69 H CB -0.148 29.641 29.762 0.045 0.000 1.388 69 H HN 0.101 nan 8.280 nan 0.000 0.526 70 R N 0.718 121.236 120.500 0.030 0.000 2.073 70 R HA -0.080 4.257 4.340 -0.004 0.000 0.234 70 R C 1.843 178.109 176.300 -0.056 0.000 1.134 70 R CA 1.381 57.484 56.100 0.004 0.000 0.952 70 R CB -0.059 30.255 30.300 0.024 0.000 0.850 70 R HN 0.346 nan 8.270 nan 0.000 0.433 71 N N 0.092 118.738 118.700 -0.091 0.000 2.171 71 N HA -0.148 4.589 4.740 -0.004 0.000 0.184 71 N C 1.637 177.030 175.510 -0.195 0.000 1.021 71 N CA 0.959 53.920 53.050 -0.148 0.000 0.854 71 N CB -0.331 38.053 38.487 -0.171 0.000 0.994 71 N HN 0.131 nan 8.380 nan 0.000 0.426 72 L N 1.884 122.962 121.223 -0.242 0.000 2.042 72 L HA -0.140 4.198 4.340 -0.004 0.000 0.210 72 L C 2.078 178.886 176.870 -0.104 0.000 1.076 72 L CA 1.748 56.466 54.840 -0.204 0.000 0.749 72 L CB -0.434 41.357 42.059 -0.446 0.000 0.893 72 L HN -0.097 nan 8.230 nan 0.000 0.432 73 K N 0.029 120.377 120.400 -0.086 0.000 2.211 73 K HA -0.174 4.144 4.320 -0.004 0.000 0.204 73 K C 1.860 178.438 176.600 -0.038 0.000 1.047 73 K CA 1.503 57.767 56.287 -0.038 0.000 0.935 73 K CB -0.092 32.395 32.500 -0.021 0.000 0.728 73 K HN 0.348 nan 8.250 nan 0.000 0.452 74 K N -0.679 119.685 120.400 -0.060 0.000 2.444 74 K HA 0.134 4.451 4.320 -0.004 0.000 0.193 74 K C 0.195 176.761 176.600 -0.056 0.000 1.024 74 K CA 0.051 56.305 56.287 -0.055 0.000 1.077 74 K CB 0.181 32.640 32.500 -0.068 0.000 0.833 74 K HN 0.132 nan 8.250 nan 0.000 0.517 75 M N 0.100 119.665 119.600 -0.058 0.000 2.291 75 M HA 0.049 4.527 4.480 -0.004 0.000 0.324 75 M C 1.283 177.577 176.300 -0.010 0.000 1.148 75 M CA 0.015 55.290 55.300 -0.042 0.000 1.104 75 M CB 1.410 33.988 32.600 -0.037 0.000 1.483 75 M HN 0.051 nan 8.290 nan 0.000 0.467 76 T N -2.863 111.690 114.554 -0.001 0.000 3.111 76 T HA 0.096 4.443 4.350 -0.004 0.000 0.236 76 T C 0.904 175.618 174.700 0.024 0.000 0.984 76 T CA 0.118 62.224 62.100 0.010 0.000 1.195 76 T CB -0.205 68.667 68.868 0.006 0.000 0.929 76 T HN 0.719 nan 8.240 nan 0.000 0.431 77 S N 2.531 118.248 115.700 0.029 0.000 2.584 77 S HA 0.394 4.862 4.470 -0.004 0.000 0.273 77 S C -2.075 172.561 174.600 0.060 0.000 1.311 77 S CA -1.181 57.042 58.200 0.039 0.000 1.034 77 S CB 1.373 64.594 63.200 0.035 0.000 0.939 77 S HN -0.022 nan 8.310 nan 0.000 0.513 78 P HA -0.071 nan 4.420 nan 0.000 0.216 78 P C 1.544 178.917 177.300 0.123 0.000 1.150 78 P CA 0.391 63.543 63.100 0.087 0.000 0.837 78 P CB 0.025 31.761 31.700 0.061 0.000 0.786 79 L N 0.244 121.520 121.223 0.087 0.000 2.093 79 L HA -0.137 4.200 4.340 -0.004 0.000 0.208 79 L C 2.243 179.213 176.870 0.167 0.000 1.085 79 L CA 1.867 56.768 54.840 0.101 0.000 0.755 79 L CB -1.291 40.787 42.059 0.032 0.000 0.904 79 L HN -0.036 nan 8.230 nan 0.000 0.435 80 E N -0.476 119.796 120.200 0.120 0.000 2.077 80 E HA -0.273 4.074 4.350 -0.004 0.000 0.193 80 E C 2.064 178.767 176.600 0.172 0.000 0.989 80 E CA 1.425 57.893 56.400 0.113 0.000 0.800 80 E CB -0.003 29.732 29.700 0.058 0.000 0.746 80 E HN 0.531 nan 8.360 nan 0.000 0.452 81 K N -0.436 120.076 120.400 0.187 0.000 2.097 81 K HA -0.180 4.138 4.320 -0.004 0.000 0.205 81 K C 2.142 178.911 176.600 0.281 0.000 1.050 81 K CA 1.359 57.792 56.287 0.244 0.000 0.938 81 K CB -0.361 32.257 32.500 0.196 0.000 0.718 81 K HN 0.247 nan 8.250 nan 0.000 0.442 82 Y N 1.767 122.151 120.300 0.141 0.000 2.145 82 Y HA -0.216 4.332 4.550 -0.004 0.000 0.286 82 Y C 1.856 177.832 175.900 0.126 0.000 1.145 82 Y CA 1.438 59.615 58.100 0.129 0.000 1.148 82 Y CB -0.121 38.400 38.460 0.102 0.000 0.981 82 Y HN -0.076 nan 8.280 nan 0.000 0.507 83 I N -0.885 119.860 120.570 0.292 0.000 2.286 83 I HA -0.309 3.859 4.170 -0.004 0.000 0.248 83 I C 2.126 178.316 176.117 0.122 0.000 1.115 83 I CA 1.454 62.853 61.300 0.165 0.000 1.392 83 I CB -0.574 37.528 38.000 0.171 0.000 1.065 83 I HN 0.307 nan 8.210 nan 0.000 0.418 84 Y N 2.325 122.650 120.300 0.042 0.000 2.133 84 Y HA -0.214 4.334 4.550 -0.003 0.000 0.287 84 Y C 2.368 178.325 175.900 0.094 0.000 1.134 84 Y CA 1.685 59.824 58.100 0.064 0.000 1.133 84 Y CB -0.508 38.007 38.460 0.091 0.000 0.987 84 Y HN 0.189 nan 8.280 nan 0.000 0.502 85 I N -2.303 118.260 120.570 -0.012 0.000 2.202 85 I HA -0.237 3.931 4.170 -0.004 0.000 0.242 85 I C 1.870 177.942 176.117 -0.074 0.000 1.091 85 I CA 1.572 62.804 61.300 -0.112 0.000 1.368 85 I CB -0.717 37.279 38.000 -0.008 0.000 1.058 85 I HN 0.120 nan 8.210 nan 0.000 0.410 86 M N 1.925 121.410 119.600 -0.192 0.000 2.374 86 M HA 0.010 4.487 4.480 -0.004 0.000 0.264 86 M C 2.358 178.463 176.300 -0.325 0.000 1.067 86 M CA 1.489 56.593 55.300 -0.328 0.000 1.103 86 M CB -1.878 30.394 32.600 -0.547 0.000 1.402 86 M HN 0.492 nan 8.290 nan 0.000 0.444 87 G N 0.250 108.930 108.800 -0.200 0.000 2.422 87 G HA2 -0.116 3.842 3.960 -0.004 0.000 0.218 87 G HA3 -0.116 3.842 3.960 -0.004 0.000 0.218 87 G C 1.658 176.452 174.900 -0.177 0.000 1.140 87 G CA 0.253 45.262 45.100 -0.151 0.000 0.775 87 G HN 0.460 nan 8.290 nan 0.000 0.545 88 I N 0.395 120.851 120.570 -0.191 0.000 2.493 88 I HA -0.184 3.984 4.170 -0.004 0.000 0.254 88 I C 2.748 178.704 176.117 -0.268 0.000 1.160 88 I CA 1.134 62.333 61.300 -0.170 0.000 1.445 88 I CB -0.175 37.725 38.000 -0.167 0.000 1.086 88 I HN 0.273 nan 8.210 nan 0.000 0.433 89 Q N 1.086 120.510 119.800 -0.627 0.000 2.226 89 Q HA -0.203 4.134 4.340 -0.004 0.000 0.204 89 Q C 1.364 177.092 176.000 -0.453 0.000 0.975 89 Q CA 1.254 56.466 55.803 -0.986 0.000 0.866 89 Q CB 0.227 27.971 28.738 -1.657 0.000 0.915 89 Q HN 0.419 nan 8.270 nan 0.000 0.440 90 E N -0.436 119.574 120.200 -0.317 0.000 2.474 90 E HA 0.068 4.415 4.350 -0.004 0.000 0.195 90 E C 1.013 177.541 176.600 -0.120 0.000 1.039 90 E CA 0.116 56.401 56.400 -0.191 0.000 0.881 90 E CB 0.476 30.071 29.700 -0.175 0.000 0.970 90 E HN 0.359 nan 8.360 nan 0.000 0.486 91 R N -0.069 120.368 120.500 -0.106 0.000 2.197 91 R HA 0.159 4.496 4.340 -0.004 0.000 0.188 91 R C 0.474 176.768 176.300 -0.011 0.000 1.015 91 R CA 0.106 56.179 56.100 -0.045 0.000 1.132 91 R CB 0.488 30.771 30.300 -0.028 0.000 1.134 91 R HN -0.121 nan 8.270 nan 0.000 0.560 92 N N 1.110 119.804 118.700 -0.010 0.000 2.607 92 N HA 0.005 4.742 4.740 -0.004 0.000 0.271 92 N C -0.233 175.323 175.510 0.076 0.000 1.142 92 N CA 0.050 53.130 53.050 0.051 0.000 0.810 92 N CB 1.623 40.152 38.487 0.069 0.000 1.306 92 N HN 0.107 nan 8.380 nan 0.000 0.536 93 E N 2.402 122.666 120.200 0.107 0.000 2.085 93 E HA -0.167 4.180 4.350 -0.004 0.000 0.194 93 E C 0.916 177.740 176.600 0.374 0.000 0.994 93 E CA 1.170 57.685 56.400 0.192 0.000 0.801 93 E CB 0.336 30.159 29.700 0.205 0.000 0.743 93 E HN 0.353 nan 8.360 nan 0.000 0.453 94 K N 0.475 121.086 120.400 0.351 0.000 2.032 94 K HA -0.185 4.132 4.320 -0.004 0.000 0.209 94 K C 2.270 178.913 176.600 0.072 0.000 1.048 94 K CA 0.879 57.331 56.287 0.275 0.000 0.927 94 K CB -0.666 31.884 32.500 0.082 0.000 0.712 94 K HN 0.219 nan 8.250 nan 0.000 0.441 95 L N 0.855 122.091 121.223 0.022 0.000 2.046 95 L HA -0.145 4.192 4.340 -0.004 0.000 0.208 95 L C 2.239 179.026 176.870 -0.138 0.000 1.077 95 L CA 1.403 56.194 54.840 -0.082 0.000 0.747 95 L CB -0.740 41.307 42.059 -0.020 0.000 0.896 95 L HN 0.093 nan 8.230 nan 0.000 0.432 96 F N -0.398 119.399 119.950 -0.256 0.000 2.065 96 F HA -0.326 4.198 4.527 -0.006 0.000 0.298 96 F C 2.097 177.624 175.800 -0.455 0.000 1.112 96 F CA 2.055 59.788 58.000 -0.445 0.000 1.212 96 F CB -0.785 37.908 39.000 -0.512 0.000 0.975 96 F HN 0.175 nan 8.300 nan 0.000 0.476 97 Y N -0.352 119.863 120.300 -0.141 0.000 2.373 97 Y HA -0.126 4.424 4.550 -0.001 0.000 0.293 97 Y C 2.547 178.328 175.900 -0.197 0.000 1.129 97 Y CA 1.095 59.074 58.100 -0.201 0.000 1.226 97 Y CB -0.477 38.094 38.460 0.186 0.000 1.000 97 Y HN 0.029 nan 8.280 nan 0.000 0.549 98 R N 0.922 121.379 120.500 -0.071 0.000 2.073 98 R HA -0.154 4.184 4.340 -0.004 0.000 0.234 98 R C 1.745 177.943 176.300 -0.169 0.000 1.134 98 R CA 1.680 57.705 56.100 -0.125 0.000 0.952 98 R CB -1.026 29.167 30.300 -0.178 0.000 0.850 98 R HN 0.229 nan 8.270 nan 0.000 0.433 99 I N 0.366 120.741 120.570 -0.324 0.000 2.163 99 I HA -0.206 3.962 4.170 -0.004 0.000 0.243 99 I C 1.868 177.806 176.117 -0.299 0.000 1.085 99 I CA 1.147 62.185 61.300 -0.436 0.000 1.347 99 I CB -0.519 36.881 38.000 -0.999 0.000 1.044 99 I HN 0.162 nan 8.210 nan 0.000 0.408 100 L N -0.070 120.909 121.223 -0.408 0.000 2.046 100 L HA -0.217 4.120 4.340 -0.004 0.000 0.208 100 L C 2.568 179.365 176.870 -0.123 0.000 1.077 100 L CA 1.889 56.553 54.840 -0.294 0.000 0.747 100 L CB -1.188 40.623 42.059 -0.413 0.000 0.896 100 L HN 0.477 nan 8.230 nan 0.000 0.432 101 Q N -1.000 118.747 119.800 -0.088 0.000 2.224 101 Q HA -0.204 4.133 4.340 -0.004 0.000 0.203 101 Q C 1.438 177.425 176.000 -0.022 0.000 0.970 101 Q CA 1.477 57.257 55.803 -0.039 0.000 0.865 101 Q CB -0.207 28.517 28.738 -0.022 0.000 0.922 101 Q HN 0.376 nan 8.270 nan 0.000 0.445 102 D N 1.076 121.475 120.400 -0.001 0.000 2.123 102 D HA -0.113 4.524 4.640 -0.004 0.000 0.196 102 D C 0.117 176.427 176.300 0.017 0.000 0.992 102 D CA 1.408 55.430 54.000 0.037 0.000 0.833 102 D CB 0.068 40.966 40.800 0.164 0.000 0.954 102 D HN 0.307 nan 8.370 nan 0.000 0.455 103 D N -0.954 119.468 120.400 0.036 0.000 2.823 103 D HA 0.020 4.658 4.640 -0.004 0.000 0.255 103 D C 0.813 177.126 176.300 0.020 0.000 1.257 103 D CA -0.366 53.647 54.000 0.022 0.000 0.803 103 D CB 0.005 40.821 40.800 0.027 0.000 1.384 103 D HN -0.121 nan 8.370 nan 0.000 0.541 104 I N 1.832 122.397 120.570 -0.008 0.000 2.264 104 I HA -0.155 4.012 4.170 -0.004 0.000 0.248 104 I C 1.973 178.084 176.117 -0.011 0.000 1.111 104 I CA 1.802 63.086 61.300 -0.026 0.000 1.382 104 I CB 0.055 38.024 38.000 -0.052 0.000 1.060 104 I HN 0.411 nan 8.210 nan 0.000 0.418 105 E N -0.088 120.111 120.200 -0.001 0.000 2.077 105 E HA -0.239 4.109 4.350 -0.004 0.000 0.193 105 E C 2.192 178.813 176.600 0.034 0.000 0.989 105 E CA 1.667 58.075 56.400 0.013 0.000 0.800 105 E CB -0.246 29.467 29.700 0.022 0.000 0.746 105 E HN 0.645 nan 8.360 nan 0.000 0.452 106 S N -0.329 115.396 115.700 0.042 0.000 2.470 106 S HA 0.020 4.487 4.470 -0.004 0.000 0.225 106 S C 1.855 176.500 174.600 0.075 0.000 1.006 106 S CA 0.321 58.555 58.200 0.058 0.000 0.934 106 S CB -0.076 63.159 63.200 0.058 0.000 0.778 106 S HN 0.325 nan 8.310 nan 0.000 0.517 107 L N -0.233 121.034 121.223 0.074 0.000 2.416 107 L HA 0.300 4.637 4.340 -0.004 0.000 0.216 107 L C 2.480 179.401 176.870 0.086 0.000 1.098 107 L CA 0.382 55.275 54.840 0.087 0.000 0.840 107 L CB -0.421 41.679 42.059 0.069 0.000 0.981 107 L HN 0.316 nan 8.230 nan 0.000 0.462 108 M N 1.506 121.147 119.600 0.068 0.000 2.106 108 M HA -0.132 4.346 4.480 -0.004 0.000 0.259 108 M C -0.847 175.548 176.300 0.158 0.000 1.068 108 M CA 2.311 57.669 55.300 0.098 0.000 1.100 108 M CB -1.031 31.603 32.600 0.057 0.000 1.351 108 M HN -0.075 nan 8.290 nan 0.000 0.404 109 P HA -0.022 nan 4.420 nan 0.000 0.226 109 P C 1.179 178.544 177.300 0.109 0.000 1.153 109 P CA 1.239 64.391 63.100 0.086 0.000 0.777 109 P CB -0.143 31.587 31.700 0.050 0.000 0.794 110 I N -1.358 119.300 120.570 0.148 0.000 2.556 110 I HA -0.080 4.087 4.170 -0.004 0.000 0.251 110 I C 1.990 178.295 176.117 0.314 0.000 1.105 110 I CA 0.861 62.281 61.300 0.199 0.000 1.436 110 I CB -0.412 37.702 38.000 0.191 0.000 1.139 110 I HN -0.167 nan 8.210 nan 0.000 0.438 111 V N -2.697 117.384 119.914 0.279 0.000 3.406 111 V HA 0.035 4.152 4.120 -0.004 0.000 0.263 111 V C 0.870 177.207 176.094 0.404 0.000 1.172 111 V CA 0.572 63.073 62.300 0.336 0.000 1.140 111 V CB -0.848 31.085 31.823 0.183 0.000 0.784 111 V HN 0.298 nan 8.190 nan 0.000 0.467 112 Y N 0.442 120.832 120.300 0.150 0.000 3.123 112 Y HA 0.617 5.166 4.550 -0.003 0.000 0.305 112 Y C 0.824 176.762 175.900 0.063 0.000 1.560 112 Y CA -0.879 57.286 58.100 0.108 0.000 1.048 112 Y CB 1.126 39.637 38.460 0.085 0.000 1.380 112 Y HN -0.037 nan 8.280 nan 0.000 0.618 113 T N 4.119 118.402 114.554 -0.451 0.000 2.930 113 T HA 0.165 4.512 4.350 -0.004 0.000 0.306 113 T C -1.855 172.763 174.700 -0.136 0.000 1.045 113 T CA -1.121 60.777 62.100 -0.337 0.000 1.134 113 T CB 0.575 69.157 68.868 -0.477 0.000 0.961 113 T HN 0.499 nan 8.240 nan 0.000 0.545 114 P HA 0.089 nan 4.420 nan 0.000 0.239 114 P C 1.344 178.585 177.300 -0.097 0.000 1.188 114 P CA 0.428 63.453 63.100 -0.125 0.000 0.794 114 P CB 0.085 31.715 31.700 -0.116 0.000 0.937 115 T N 0.589 115.112 114.554 -0.053 0.000 2.759 115 T HA -0.122 4.225 4.350 -0.004 0.000 0.269 115 T C 1.844 176.451 174.700 -0.154 0.000 1.042 115 T CA 1.237 63.300 62.100 -0.061 0.000 1.140 115 T CB -1.096 67.791 68.868 0.031 0.000 0.864 115 T HN -0.077 nan 8.240 nan 0.000 0.455 116 V N 1.413 121.269 119.914 -0.097 0.000 2.594 116 V HA -0.070 4.048 4.120 -0.004 0.000 0.253 116 V C 2.442 178.429 176.094 -0.178 0.000 1.069 116 V CA 2.108 64.329 62.300 -0.132 0.000 1.082 116 V CB -0.963 30.881 31.823 0.035 0.000 0.680 116 V HN 0.592 nan 8.190 nan 0.000 0.469 117 G N -0.511 108.197 108.800 -0.153 0.000 2.403 117 G HA2 -0.204 3.753 3.960 -0.004 0.000 0.216 117 G HA3 -0.204 3.753 3.960 -0.004 0.000 0.216 117 G C 1.456 176.279 174.900 -0.127 0.000 1.154 117 G CA 0.936 45.957 45.100 -0.133 0.000 0.784 117 G HN 0.494 nan 8.290 nan 0.000 0.538 118 L N 1.388 122.527 121.223 -0.139 0.000 2.056 118 L HA 0.213 4.550 4.340 -0.004 0.000 0.207 118 L C 3.039 179.810 176.870 -0.166 0.000 1.078 118 L CA 2.016 56.781 54.840 -0.125 0.000 0.749 118 L CB -0.692 41.302 42.059 -0.109 0.000 0.901 118 L HN 0.221 nan 8.230 nan 0.000 0.433 119 A N -1.370 121.279 122.820 -0.286 0.000 1.902 119 A HA -0.246 4.071 4.320 -0.004 0.000 0.217 119 A C 2.400 179.925 177.584 -0.098 0.000 1.181 119 A CA 1.890 53.727 52.037 -0.334 0.000 0.623 119 A CB -1.476 16.971 19.000 -0.920 0.000 0.818 119 A HN 0.617 nan 8.150 nan 0.000 0.443 120 C N -0.878 118.332 119.300 -0.149 0.000 2.429 120 C HA -0.051 4.406 4.460 -0.004 0.000 0.277 120 C C 3.217 178.196 174.990 -0.018 0.000 1.262 120 C CA 1.279 60.207 59.018 -0.149 0.000 1.733 120 C CB -1.237 26.398 27.740 -0.174 0.000 2.010 120 C HN 0.613 nan 8.230 nan 0.000 0.483 121 S N 0.536 116.221 115.700 -0.024 0.000 2.419 121 S HA -0.173 4.294 4.470 -0.004 0.000 0.235 121 S C 1.404 175.992 174.600 -0.019 0.000 1.019 121 S CA 1.406 59.625 58.200 0.032 0.000 0.982 121 S CB -0.368 62.823 63.200 -0.015 0.000 0.789 121 S HN 0.880 nan 8.310 nan 0.000 0.490 122 Q N -1.338 118.354 119.800 -0.181 0.000 2.129 122 Q HA 0.263 4.600 4.340 -0.004 0.000 0.274 122 Q C 0.306 176.047 176.000 -0.431 0.000 0.854 122 Q CA -0.405 55.135 55.803 -0.438 0.000 1.123 122 Q CB -0.283 28.247 28.738 -0.348 0.000 1.226 122 Q HN 0.302 nan 8.270 nan 0.000 0.454 123 Y N 2.252 122.108 120.300 -0.739 0.000 2.114 123 Y HA -0.149 4.398 4.550 -0.005 0.000 0.282 123 Y C 2.284 177.880 175.900 -0.506 0.000 1.165 123 Y CA 2.458 60.209 58.100 -0.581 0.000 1.148 123 Y CB -0.361 37.782 38.460 -0.529 0.000 0.972 123 Y HN 0.437 nan 8.280 nan 0.000 0.504 124 G N -2.256 106.022 108.800 -0.869 0.000 2.509 124 G HA2 -0.196 3.762 3.960 -0.004 0.000 0.218 124 G HA3 -0.196 3.762 3.960 -0.004 0.000 0.218 124 G C 1.275 176.266 174.900 0.150 0.000 1.124 124 G CA 0.877 45.925 45.100 -0.086 0.000 0.776 124 G HN 0.605 nan 8.290 nan 0.000 0.547 125 H N -0.226 118.756 119.070 -0.147 0.000 2.497 125 H HA 0.143 4.696 4.556 -0.004 0.000 0.282 125 H C 2.260 177.475 175.328 -0.187 0.000 1.003 125 H CA 0.722 56.645 56.048 -0.207 0.000 1.307 125 H CB 0.327 30.044 29.762 -0.076 0.000 1.437 125 H HN 0.522 nan 8.280 nan 0.000 0.544 126 I N -2.009 118.550 120.570 -0.019 0.000 3.956 126 I HA 0.141 4.309 4.170 -0.004 0.000 0.333 126 I C 0.106 176.168 176.117 -0.091 0.000 1.302 126 I CA -0.475 60.797 61.300 -0.046 0.000 1.122 126 I CB -0.198 37.791 38.000 -0.018 0.000 1.013 126 I HN -0.132 nan 8.210 nan 0.000 0.405 127 F N 3.364 123.169 119.950 -0.243 0.000 2.629 127 F HA 0.122 4.647 4.527 -0.004 0.000 0.377 127 F C 1.091 176.791 175.800 -0.167 0.000 1.101 127 F CA 0.681 58.527 58.000 -0.257 0.000 1.301 127 F CB 0.490 39.356 39.000 -0.224 0.000 1.062 127 F HN 0.063 nan 8.300 nan 0.000 0.583 128 R N 3.375 123.230 120.500 -1.076 0.000 3.749 128 R HA 0.308 4.645 4.340 -0.004 0.000 0.142 128 R C -0.260 175.421 176.300 -1.033 0.000 0.750 128 R CA -0.535 55.101 56.100 -0.773 0.000 1.004 128 R CB 0.504 30.568 30.300 -0.394 0.000 1.509 128 R HN 0.461 nan 8.270 nan 0.000 0.494 129 R N 1.798 121.751 120.500 -0.912 0.000 2.686 129 R HA 0.410 4.748 4.340 -0.004 0.000 0.286 129 R C -2.617 173.458 176.300 -0.376 0.000 0.969 129 R CA -1.830 53.935 56.100 -0.558 0.000 0.898 129 R CB 2.259 32.401 30.300 -0.265 0.000 1.183 129 R HN 0.052 nan 8.270 nan 0.000 0.456 130 P HA 0.200 nan 4.420 nan 0.000 0.277 130 P C -1.315 176.141 177.300 0.260 0.000 1.240 130 P CA -0.368 62.942 63.100 0.351 0.000 0.798 130 P CB 1.085 33.029 31.700 0.406 0.000 0.979 131 K N 0.897 121.511 120.400 0.355 0.000 2.443 131 K HA 0.643 4.960 4.320 -0.004 0.000 0.252 131 K C -0.104 176.616 176.600 0.199 0.000 0.933 131 K CA -0.516 55.912 56.287 0.235 0.000 0.792 131 K CB 2.018 34.605 32.500 0.144 0.000 1.185 131 K HN 0.900 nan 8.250 nan 0.000 0.425 132 G N 1.462 110.371 108.800 0.183 0.000 2.685 132 G HA2 -0.189 3.768 3.960 -0.004 0.000 0.387 132 G HA3 -0.189 3.768 3.960 -0.004 0.000 0.387 132 G C -1.477 173.350 174.900 -0.121 0.000 1.324 132 G CA -1.025 44.001 45.100 -0.123 0.000 0.878 132 G HN 0.447 nan 8.290 nan 0.000 0.527 133 L N -0.109 120.846 121.223 -0.446 0.000 2.307 133 L HA 0.739 5.077 4.340 -0.004 0.000 0.284 133 L C -0.636 176.018 176.870 -0.359 0.000 1.023 133 L CA -0.778 53.918 54.840 -0.240 0.000 0.810 133 L CB 0.972 42.819 42.059 -0.353 0.000 1.231 133 L HN 0.456 nan 8.230 nan 0.000 0.423 134 F N 5.185 125.123 119.950 -0.020 0.000 2.426 134 F HA 0.492 5.016 4.527 -0.004 0.000 0.348 134 F C 0.155 175.928 175.800 -0.045 0.000 1.124 134 F CA -0.462 57.508 58.000 -0.049 0.000 1.008 134 F CB 1.410 40.393 39.000 -0.028 0.000 1.139 134 F HN 0.180 nan 8.300 nan 0.000 0.452 135 I N 3.140 123.745 120.570 0.058 0.000 2.411 135 I HA 0.313 4.480 4.170 -0.004 0.000 0.284 135 I C -0.264 175.865 176.117 0.020 0.000 1.012 135 I CA -0.484 60.832 61.300 0.027 0.000 1.119 135 I CB 1.621 39.597 38.000 -0.040 0.000 1.261 135 I HN 0.608 nan 8.210 nan 0.000 0.448 136 S N 5.040 120.768 115.700 0.047 0.000 2.651 136 S HA 0.408 4.875 4.470 -0.004 0.000 0.291 136 S C 0.821 175.452 174.600 0.052 0.000 1.141 136 S CA -0.661 57.564 58.200 0.042 0.000 1.027 136 S CB 1.988 65.208 63.200 0.033 0.000 1.043 136 S HN 0.586 nan 8.310 nan 0.000 0.530 137 I N 2.146 122.754 120.570 0.063 0.000 2.423 137 I HA -0.102 4.065 4.170 -0.004 0.000 0.254 137 I C 2.074 178.236 176.117 0.075 0.000 1.151 137 I CA 1.516 62.863 61.300 0.079 0.000 1.421 137 I CB -0.557 37.503 38.000 0.100 0.000 1.079 137 I HN 0.762 nan 8.210 nan 0.000 0.431 138 S N 0.138 115.878 115.700 0.066 0.000 2.555 138 S HA -0.068 4.400 4.470 -0.004 0.000 0.230 138 S C 1.205 175.857 174.600 0.087 0.000 0.978 138 S CA 0.897 59.138 58.200 0.067 0.000 0.934 138 S CB -0.363 62.866 63.200 0.048 0.000 0.766 138 S HN 0.530 nan 8.310 nan 0.000 0.533 139 D N 1.478 121.935 120.400 0.094 0.000 2.363 139 D HA 0.026 4.663 4.640 -0.004 0.000 0.214 139 D C 0.583 176.977 176.300 0.157 0.000 1.093 139 D CA -0.064 54.017 54.000 0.134 0.000 0.837 139 D CB 0.138 41.001 40.800 0.105 0.000 0.948 139 D HN 0.537 nan 8.370 nan 0.000 0.507 140 R N 0.178 120.744 120.500 0.110 0.000 2.537 140 R HA 0.176 4.513 4.340 -0.004 0.000 0.281 140 R C 0.977 177.278 176.300 0.002 0.000 0.988 140 R CA 0.989 57.125 56.100 0.060 0.000 1.077 140 R CB -0.054 30.279 30.300 0.056 0.000 0.932 140 R HN 0.005 nan 8.270 nan 0.000 0.409 141 G N 1.912 110.657 108.800 -0.092 0.000 2.176 141 G HA2 -0.261 3.696 3.960 -0.004 0.000 0.253 141 G HA3 -0.261 3.696 3.960 -0.004 0.000 0.253 141 G C 0.244 174.808 174.900 -0.559 0.000 0.979 141 G CA 0.323 45.244 45.100 -0.299 0.000 0.641 141 G HN 0.829 nan 8.290 nan 0.000 0.530 142 H N -0.852 118.232 119.070 0.023 0.000 2.865 142 H HA 0.333 4.886 4.556 -0.005 0.000 0.247 142 H C 1.891 177.234 175.328 0.025 0.000 1.181 142 H CA 0.434 56.495 56.048 0.021 0.000 0.975 142 H CB 0.362 30.138 29.762 0.023 0.000 1.899 142 H HN 0.236 nan 8.280 nan 0.000 0.651 143 V N 0.750 120.712 119.914 0.080 0.000 2.407 143 V HA -0.254 3.863 4.120 -0.004 0.000 0.248 143 V C 2.781 178.909 176.094 0.057 0.000 1.055 143 V CA 1.867 64.211 62.300 0.073 0.000 1.049 143 V CB -0.235 31.622 31.823 0.057 0.000 0.662 143 V HN 0.197 nan 8.190 nan 0.000 0.455 144 R N 1.857 122.374 120.500 0.028 0.000 2.091 144 R HA -0.167 4.171 4.340 -0.004 0.000 0.238 144 R C 2.548 178.865 176.300 0.028 0.000 1.136 144 R CA 2.205 58.309 56.100 0.005 0.000 0.959 144 R CB -1.023 29.268 30.300 -0.014 0.000 0.856 144 R HN 0.684 nan 8.270 nan 0.000 0.437 145 S N -0.414 115.322 115.700 0.060 0.000 2.399 145 S HA -0.117 4.350 4.470 -0.004 0.000 0.231 145 S C 2.160 176.805 174.600 0.074 0.000 1.022 145 S CA 1.352 59.591 58.200 0.065 0.000 0.983 145 S CB -0.521 62.731 63.200 0.087 0.000 0.803 145 S HN 0.366 nan 8.310 nan 0.000 0.480 146 I N 1.195 121.819 120.570 0.089 0.000 2.202 146 I HA -0.110 4.057 4.170 -0.004 0.000 0.242 146 I C 2.445 178.637 176.117 0.124 0.000 1.091 146 I CA 0.977 62.342 61.300 0.107 0.000 1.368 146 I CB -0.423 37.642 38.000 0.108 0.000 1.058 146 I HN 0.204 nan 8.210 nan 0.000 0.410 147 V N 0.736 120.707 119.914 0.095 0.000 2.392 147 V HA -0.312 3.805 4.120 -0.004 0.000 0.249 147 V C 1.827 177.988 176.094 0.112 0.000 1.059 147 V CA 1.890 64.249 62.300 0.098 0.000 1.051 147 V CB -0.679 31.157 31.823 0.021 0.000 0.658 147 V HN 0.413 nan 8.190 nan 0.000 0.455 148 D N -0.139 120.296 120.400 0.057 0.000 2.348 148 D HA -0.082 4.555 4.640 -0.004 0.000 0.216 148 D C 1.820 178.174 176.300 0.090 0.000 0.970 148 D CA 0.562 54.585 54.000 0.038 0.000 0.889 148 D CB -0.254 40.549 40.800 0.006 0.000 0.912 148 D HN 0.383 nan 8.370 nan 0.000 0.524 149 N N -0.307 118.473 118.700 0.134 0.000 2.446 149 N HA -0.081 4.657 4.740 -0.004 0.000 0.179 149 N C 0.252 175.875 175.510 0.188 0.000 1.054 149 N CA -0.025 53.105 53.050 0.133 0.000 0.905 149 N CB 0.021 38.586 38.487 0.131 0.000 0.973 149 N HN 0.348 nan 8.380 nan 0.000 0.448 150 W N 3.964 125.303 121.300 0.064 0.000 2.322 150 W HA 0.033 4.689 4.660 -0.007 0.000 0.328 150 W C -1.349 175.218 176.519 0.080 0.000 1.395 150 W CA -1.161 56.234 57.345 0.084 0.000 1.267 150 W CB 0.886 30.427 29.460 0.134 0.000 1.259 150 W HN 0.098 nan 8.180 nan 0.000 0.560 151 P HA -0.150 nan 4.420 nan 0.000 0.220 151 P C -0.069 177.098 177.300 -0.221 0.000 1.148 151 P CA 1.406 64.301 63.100 -0.343 0.000 0.803 151 P CB 0.314 31.765 31.700 -0.416 0.000 0.782 152 E N 0.486 120.517 120.200 -0.282 0.000 2.259 152 E HA 0.126 4.473 4.350 -0.004 0.000 0.281 152 E C 1.039 177.802 176.600 0.271 0.000 1.027 152 E CA -0.140 56.290 56.400 0.049 0.000 0.838 152 E CB 0.082 29.863 29.700 0.134 0.000 1.066 152 E HN -0.015 nan 8.360 nan 0.000 0.401 153 N N 2.011 120.824 118.700 0.188 0.000 2.373 153 N HA -0.042 4.695 4.740 -0.004 0.000 0.181 153 N C -0.304 175.158 175.510 -0.081 0.000 1.082 153 N CA 0.445 53.549 53.050 0.091 0.000 0.885 153 N CB 0.173 38.595 38.487 -0.109 0.000 0.977 153 N HN 0.422 nan 8.380 nan 0.000 0.462 154 H N -0.286 118.912 119.070 0.214 0.000 2.500 154 H HA 0.296 4.855 4.556 0.004 0.000 0.243 154 H C -0.391 174.912 175.328 -0.042 0.000 1.318 154 H CA -0.378 55.746 56.048 0.127 0.000 1.077 154 H CB 0.297 30.117 29.762 0.096 0.000 1.748 154 H HN -0.215 nan 8.280 nan 0.000 0.556 155 V N 1.874 121.596 119.914 -0.320 0.000 2.599 155 V HA -0.044 4.073 4.120 -0.004 0.000 0.300 155 V C 0.946 176.861 176.094 -0.298 0.000 1.034 155 V CA 0.449 62.425 62.300 -0.539 0.000 1.115 155 V CB 1.014 32.028 31.823 -1.348 0.000 0.934 155 V HN 0.581 nan 8.190 nan 0.000 0.485 156 K N 2.975 123.292 120.400 -0.139 0.000 2.435 156 K HA 0.457 4.774 4.320 -0.004 0.000 0.199 156 K C 0.269 176.861 176.600 -0.013 0.000 1.153 156 K CA 0.571 56.840 56.287 -0.030 0.000 0.974 156 K CB 1.253 33.775 32.500 0.037 0.000 0.997 156 K HN 0.677 nan 8.250 nan 0.000 0.547 157 A N 0.980 123.770 122.820 -0.050 0.000 2.455 157 A HA 0.662 4.980 4.320 -0.004 0.000 0.300 157 A C -1.143 176.347 177.584 -0.156 0.000 1.040 157 A CA -0.556 51.479 52.037 -0.004 0.000 0.697 157 A CB 1.805 20.935 19.000 0.216 0.000 1.265 157 A HN -0.117 nan 8.150 nan 0.000 0.407 158 V N 2.043 121.865 119.914 -0.154 0.000 2.588 158 V HA 0.556 4.673 4.120 -0.004 0.000 0.304 158 V C -0.704 175.243 176.094 -0.246 0.000 1.042 158 V CA -0.535 61.626 62.300 -0.233 0.000 0.877 158 V CB 1.941 33.651 31.823 -0.189 0.000 0.996 158 V HN 0.721 nan 8.190 nan 0.000 0.425 159 V N 5.270 124.991 119.914 -0.322 0.000 2.378 159 V HA 0.551 4.669 4.120 -0.004 0.000 0.288 159 V C -0.359 175.547 176.094 -0.313 0.000 1.016 159 V CA -0.582 61.524 62.300 -0.323 0.000 0.840 159 V CB 1.791 33.387 31.823 -0.379 0.000 0.994 159 V HN 0.613 nan 8.190 nan 0.000 0.431 160 V N 4.789 124.512 119.914 -0.317 0.000 2.604 160 V HA 0.856 4.973 4.120 -0.004 0.000 0.305 160 V C -0.283 175.709 176.094 -0.169 0.000 1.043 160 V CA 0.207 62.295 62.300 -0.353 0.000 0.888 160 V CB 2.397 33.888 31.823 -0.553 0.000 0.995 160 V HN 0.958 nan 8.190 nan 0.000 0.429 161 T N 2.803 117.198 114.554 -0.264 0.000 2.883 161 T HA 0.479 4.826 4.350 -0.004 0.000 0.296 161 T C -0.414 173.908 174.700 -0.629 0.000 1.117 161 T CA 0.119 61.989 62.100 -0.383 0.000 1.006 161 T CB 1.772 70.468 68.868 -0.286 0.000 1.191 161 T HN 0.931 nan 8.240 nan 0.000 0.508 162 D N 0.256 120.082 120.400 -0.957 0.000 2.469 162 D HA 0.220 4.857 4.640 -0.004 0.000 0.215 162 D C 1.337 177.430 176.300 -0.345 0.000 1.154 162 D CA 0.552 54.200 54.000 -0.587 0.000 0.832 162 D CB -0.317 40.142 40.800 -0.568 0.000 1.008 162 D HN 1.058 nan 8.370 nan 0.000 0.506 163 G N 1.568 110.170 108.800 -0.331 0.000 2.187 163 G HA2 -0.427 3.530 3.960 -0.004 0.000 0.261 163 G HA3 -0.427 3.530 3.960 -0.004 0.000 0.261 163 G C 0.749 175.564 174.900 -0.143 0.000 1.000 163 G CA 0.846 45.835 45.100 -0.186 0.000 0.718 163 G HN 0.520 nan 8.290 nan 0.000 0.519 164 E N -0.499 119.600 120.200 -0.167 0.000 2.158 164 E HA 0.044 4.392 4.350 -0.004 0.000 0.191 164 E C 1.698 178.259 176.600 -0.064 0.000 0.982 164 E CA 0.329 56.669 56.400 -0.100 0.000 0.823 164 E CB 0.052 29.704 29.700 -0.081 0.000 0.766 164 E HN 0.317 nan 8.360 nan 0.000 0.468 165 R N 1.440 121.906 120.500 -0.058 0.000 2.651 165 R HA 0.193 4.530 4.340 -0.004 0.000 0.282 165 R C -1.004 175.272 176.300 -0.040 0.000 1.565 165 R CA -0.436 55.647 56.100 -0.028 0.000 1.661 165 R CB 0.222 30.529 30.300 0.012 0.000 1.189 165 R HN 0.143 nan 8.270 nan 0.000 0.621 166 I N 5.627 126.163 120.570 -0.057 0.000 2.329 166 I HA 0.031 4.198 4.170 -0.004 0.000 0.295 166 I C 1.465 177.547 176.117 -0.058 0.000 1.109 166 I CA 0.441 61.702 61.300 -0.066 0.000 1.297 166 I CB -0.376 37.580 38.000 -0.074 0.000 1.433 166 I HN 0.614 nan 8.210 nan 0.000 0.509 167 L N 5.087 126.277 121.223 -0.055 0.000 6.519 167 L HA -0.304 4.034 4.340 -0.004 0.000 0.053 167 L C 1.388 178.232 176.870 -0.043 0.000 1.992 167 L CA 1.335 56.141 54.840 -0.057 0.000 1.661 167 L CB -1.478 40.531 42.059 -0.083 0.000 2.744 167 L HN 0.659 nan 8.230 nan 0.000 1.041 168 G N -1.103 107.668 108.800 -0.048 0.000 3.502 168 G HA2 0.414 4.371 3.960 -0.004 0.000 0.267 168 G HA3 0.414 4.371 3.960 -0.004 0.000 0.267 168 G C 0.622 175.499 174.900 -0.039 0.000 1.090 168 G CA -0.149 44.927 45.100 -0.039 0.000 0.795 168 G HN 0.192 nan 8.290 nan 0.000 0.535 169 L N 0.341 121.538 121.223 -0.043 0.000 2.509 169 L HA 0.355 4.692 4.340 -0.004 0.000 0.222 169 L C 1.728 178.576 176.870 -0.037 0.000 1.123 169 L CA 0.816 55.633 54.840 -0.039 0.000 0.856 169 L CB -0.808 41.225 42.059 -0.043 0.000 0.985 169 L HN 0.406 nan 8.230 nan 0.000 0.456 170 G N -0.462 108.315 108.800 -0.038 0.000 2.527 170 G HA2 -0.256 3.701 3.960 -0.004 0.000 0.227 170 G HA3 -0.256 3.701 3.960 -0.004 0.000 0.227 170 G C -0.427 174.444 174.900 -0.048 0.000 1.291 170 G CA -0.163 44.913 45.100 -0.039 0.000 0.904 170 G HN 0.145 nan 8.290 nan 0.000 0.577 171 D N 1.110 121.477 120.400 -0.055 0.000 2.359 171 D HA 0.397 5.034 4.640 -0.004 0.000 0.250 171 D C 1.419 177.674 176.300 -0.075 0.000 1.264 171 D CA -0.051 53.908 54.000 -0.069 0.000 0.911 171 D CB 0.126 40.879 40.800 -0.077 0.000 1.056 171 D HN 0.405 nan 8.370 nan 0.000 0.499 172 L N 3.065 124.254 121.223 -0.056 0.000 2.808 172 L HA 0.270 4.607 4.340 -0.004 0.000 0.246 172 L C 1.700 178.570 176.870 0.001 0.000 1.153 172 L CA -0.069 54.755 54.840 -0.026 0.000 0.956 172 L CB -0.126 41.953 42.059 0.033 0.000 1.270 172 L HN 0.614 nan 8.230 nan 0.000 0.528 173 G N 0.956 109.745 108.800 -0.018 0.000 2.614 173 G HA2 -0.371 3.586 3.960 -0.004 0.000 0.303 173 G HA3 -0.371 3.586 3.960 -0.004 0.000 0.303 173 G C 0.830 175.794 174.900 0.106 0.000 1.270 173 G CA 0.329 45.463 45.100 0.057 0.000 0.988 173 G HN -0.079 nan 8.290 nan 0.000 0.551 174 V N 0.578 120.600 119.914 0.180 0.000 2.720 174 V HA -0.133 3.984 4.120 -0.004 0.000 0.256 174 V C 2.303 178.582 176.094 0.307 0.000 1.082 174 V CA 2.566 64.956 62.300 0.151 0.000 1.101 174 V CB -0.826 30.974 31.823 -0.039 0.000 0.693 174 V HN 0.547 nan 8.190 nan 0.000 0.479 175 Y N 0.537 120.927 120.300 0.150 0.000 2.483 175 Y HA -0.120 4.427 4.550 -0.004 0.000 0.291 175 Y C 2.414 178.183 175.900 -0.218 0.000 1.143 175 Y CA 0.199 58.357 58.100 0.097 0.000 1.289 175 Y CB -0.194 38.358 38.460 0.153 0.000 0.983 175 Y HN 0.421 nan 8.280 nan 0.000 0.556 176 G N -0.185 108.617 108.800 0.004 0.000 2.598 176 G HA2 -0.254 3.703 3.960 -0.004 0.000 0.215 176 G HA3 -0.254 3.703 3.960 -0.004 0.000 0.215 176 G C 1.419 176.173 174.900 -0.244 0.000 1.131 176 G CA 0.282 45.297 45.100 -0.141 0.000 0.785 176 G HN 0.294 nan 8.290 nan 0.000 0.539 177 M N 1.877 121.338 119.600 -0.232 0.000 2.260 177 M HA 0.032 4.510 4.480 -0.004 0.000 0.261 177 M C 2.340 178.454 176.300 -0.310 0.000 1.066 177 M CA 1.546 56.712 55.300 -0.224 0.000 1.082 177 M CB -0.701 31.914 32.600 0.026 0.000 1.388 177 M HN 0.090 nan 8.290 nan 0.000 0.419 178 G N 0.332 108.716 108.800 -0.693 0.000 2.479 178 G HA2 -0.166 3.791 3.960 -0.004 0.000 0.220 178 G HA3 -0.166 3.791 3.960 -0.004 0.000 0.220 178 G C 1.397 176.215 174.900 -0.136 0.000 1.115 178 G CA 1.051 45.882 45.100 -0.448 0.000 0.757 178 G HN 0.481 nan 8.290 nan 0.000 0.560 179 I N 1.630 122.100 120.570 -0.167 0.000 2.162 179 I HA -0.027 4.140 4.170 -0.004 0.000 0.238 179 I C -0.076 175.994 176.117 -0.077 0.000 1.076 179 I CA 0.835 62.085 61.300 -0.083 0.000 1.353 179 I CB -1.848 36.089 38.000 -0.106 0.000 1.063 179 I HN 0.062 nan 8.210 nan 0.000 0.408 180 P HA -0.080 nan 4.420 nan 0.000 0.218 180 P C 2.219 179.431 177.300 -0.145 0.000 1.148 180 P CA 1.006 63.994 63.100 -0.187 0.000 0.822 180 P CB 0.075 31.625 31.700 -0.249 0.000 0.784 181 V N -0.064 119.799 119.914 -0.085 0.000 2.295 181 V HA -0.182 3.935 4.120 -0.004 0.000 0.246 181 V C 2.575 178.697 176.094 0.047 0.000 1.049 181 V CA 2.564 64.853 62.300 -0.018 0.000 1.024 181 V CB -1.844 30.013 31.823 0.057 0.000 0.648 181 V HN 0.176 nan 8.190 nan 0.000 0.447 182 G N -0.300 108.562 108.800 0.103 0.000 2.402 182 G HA2 -0.196 3.761 3.960 -0.004 0.000 0.216 182 G HA3 -0.196 3.761 3.960 -0.004 0.000 0.216 182 G C 1.648 176.650 174.900 0.170 0.000 1.162 182 G CA 0.514 45.730 45.100 0.194 0.000 0.777 182 G HN 0.351 nan 8.290 nan 0.000 0.539 183 K N 0.364 120.818 120.400 0.091 0.000 2.032 183 K HA 0.022 4.339 4.320 -0.004 0.000 0.209 183 K C 2.499 179.150 176.600 0.085 0.000 1.048 183 K CA 0.707 57.007 56.287 0.022 0.000 0.927 183 K CB -0.695 31.637 32.500 -0.279 0.000 0.712 183 K HN 0.346 nan 8.250 nan 0.000 0.441 184 L N 0.303 121.468 121.223 -0.097 0.000 2.141 184 L HA -0.176 4.161 4.340 -0.004 0.000 0.209 184 L C 2.631 179.569 176.870 0.113 0.000 1.094 184 L CA 0.634 55.373 54.840 -0.168 0.000 0.763 184 L CB -0.442 41.453 42.059 -0.272 0.000 0.908 184 L HN 0.163 nan 8.230 nan 0.000 0.437 185 C N -0.075 119.343 119.300 0.198 0.000 2.425 185 C HA -0.145 4.312 4.460 -0.004 0.000 0.277 185 C C 2.660 177.856 174.990 0.343 0.000 1.280 185 C CA 0.556 59.801 59.018 0.378 0.000 1.744 185 C CB -0.759 27.196 27.740 0.358 0.000 1.989 185 C HN 0.446 nan 8.230 nan 0.000 0.491 186 L N -1.328 120.051 121.223 0.261 0.000 2.313 186 L HA -0.084 4.253 4.340 -0.004 0.000 0.214 186 L C 2.385 179.410 176.870 0.259 0.000 1.119 186 L CA 1.006 55.962 54.840 0.193 0.000 0.809 186 L CB -0.608 41.524 42.059 0.122 0.000 0.933 186 L HN 0.291 nan 8.230 nan 0.000 0.449 187 Y N 0.730 121.126 120.300 0.161 0.000 2.145 187 Y HA -0.256 4.291 4.550 -0.006 0.000 0.286 187 Y C 2.820 178.710 175.900 -0.016 0.000 1.145 187 Y CA 1.780 59.947 58.100 0.110 0.000 1.148 187 Y CB -0.742 37.772 38.460 0.091 0.000 0.981 187 Y HN 0.110 nan 8.280 nan 0.000 0.507 188 T N -0.529 114.079 114.554 0.091 0.000 2.770 188 T HA -0.084 4.263 4.350 -0.004 0.000 0.258 188 T C 2.208 176.850 174.700 -0.098 0.000 1.039 188 T CA 1.239 63.231 62.100 -0.181 0.000 1.143 188 T CB -0.704 67.727 68.868 -0.729 0.000 0.866 188 T HN 0.352 nan 8.240 nan 0.000 0.428 189 A N 0.500 123.341 122.820 0.036 0.000 1.908 189 A HA -0.133 4.184 4.320 -0.004 0.000 0.218 189 A C 2.608 180.190 177.584 -0.003 0.000 1.181 189 A CA 1.704 53.790 52.037 0.081 0.000 0.627 189 A CB -1.184 17.881 19.000 0.108 0.000 0.818 189 A HN 0.644 nan 8.150 nan 0.000 0.445 190 C N -2.231 117.045 119.300 -0.040 0.000 2.507 190 C HA 0.464 4.921 4.460 -0.004 0.000 0.280 190 C C 2.716 177.652 174.990 -0.090 0.000 1.345 190 C CA 0.520 59.478 59.018 -0.101 0.000 1.736 190 C CB -0.544 27.078 27.740 -0.197 0.000 2.060 190 C HN 0.684 nan 8.230 nan 0.000 0.498 191 A N -0.580 122.194 122.820 -0.077 0.000 2.431 191 A HA 0.511 4.828 4.320 -0.004 0.000 0.239 191 A C 1.505 179.068 177.584 -0.036 0.000 1.230 191 A CA 0.928 52.920 52.037 -0.076 0.000 0.928 191 A CB -0.530 18.396 19.000 -0.123 0.000 1.006 191 A HN 1.105 nan 8.150 nan 0.000 0.520 192 G N 0.139 108.935 108.800 -0.007 0.000 2.198 192 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.260 192 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.260 192 G C 0.117 175.051 174.900 0.058 0.000 1.025 192 G CA 0.489 45.621 45.100 0.052 0.000 0.769 192 G HN 0.515 nan 8.290 nan 0.000 0.507 193 I N 0.609 121.177 120.570 -0.003 0.000 2.529 193 I HA 0.167 4.334 4.170 -0.004 0.000 0.284 193 I C 1.405 177.444 176.117 -0.130 0.000 1.082 193 I CA -0.589 60.707 61.300 -0.007 0.000 1.406 193 I CB 0.530 38.569 38.000 0.066 0.000 1.405 193 I HN 0.105 nan 8.210 nan 0.000 0.548 194 R N 7.043 127.465 120.500 -0.130 0.000 2.502 194 R HA 0.018 4.356 4.340 -0.004 0.000 0.292 194 R C -1.701 174.339 176.300 -0.435 0.000 0.998 194 R CA -1.075 54.799 56.100 -0.377 0.000 1.056 194 R CB -0.044 30.173 30.300 -0.139 0.000 0.939 194 R HN 0.394 nan 8.270 nan 0.000 0.411 195 P HA -0.211 nan 4.420 nan 0.000 0.215 195 P C 0.555 177.736 177.300 -0.198 0.000 1.153 195 P CA 1.294 64.123 63.100 -0.452 0.000 0.853 195 P CB 0.095 31.456 31.700 -0.565 0.000 0.788 196 D N -0.488 119.805 120.400 -0.177 0.000 2.350 196 D HA -0.184 4.454 4.640 -0.004 0.000 0.216 196 D C 1.294 177.605 176.300 0.019 0.000 0.968 196 D CA 0.885 54.869 54.000 -0.027 0.000 0.894 196 D CB -0.645 40.157 40.800 0.002 0.000 0.909 196 D HN 0.342 nan 8.370 nan 0.000 0.520 197 Q N -0.397 119.382 119.800 -0.035 0.000 2.360 197 Q HA 0.141 4.478 4.340 -0.004 0.000 0.202 197 Q C 0.131 176.088 176.000 -0.071 0.000 0.915 197 Q CA -0.055 55.733 55.803 -0.025 0.000 0.943 197 Q CB 0.798 29.532 28.738 -0.007 0.000 1.064 197 Q HN 0.254 nan 8.270 nan 0.000 0.511 198 C N 1.237 120.493 119.300 -0.073 0.000 2.358 198 C HA 0.636 5.094 4.460 -0.004 0.000 0.342 198 C C -0.354 174.535 174.990 -0.168 0.000 1.234 198 C CA -0.944 57.988 59.018 -0.143 0.000 1.969 198 C CB 0.660 28.303 27.740 -0.162 0.000 2.346 198 C HN 0.332 nan 8.230 nan 0.000 0.525 199 L N 5.627 126.656 121.223 -0.323 0.000 2.457 199 L HA 0.560 4.897 4.340 -0.004 0.000 0.266 199 L C -2.818 173.758 176.870 -0.491 0.000 0.979 199 L CA -1.749 52.778 54.840 -0.522 0.000 0.857 199 L CB 1.430 43.056 42.059 -0.722 0.000 1.213 199 L HN 0.396 nan 8.230 nan 0.000 0.418 200 P HA 0.389 nan 4.420 nan 0.000 0.281 200 P C -1.286 175.727 177.300 -0.477 0.000 1.252 200 P CA -0.229 62.633 63.100 -0.396 0.000 0.778 200 P CB 1.472 32.998 31.700 -0.289 0.000 0.895 201 V N 3.494 123.145 119.914 -0.438 0.000 2.588 201 V HA 0.379 4.497 4.120 -0.004 0.000 0.304 201 V C -0.392 175.409 176.094 -0.487 0.000 1.042 201 V CA -0.533 61.483 62.300 -0.473 0.000 0.877 201 V CB 2.255 33.832 31.823 -0.410 0.000 0.996 201 V HN 0.658 nan 8.190 nan 0.000 0.425 202 C N 6.844 125.833 119.300 -0.519 0.000 2.319 202 C HA 0.645 5.103 4.460 -0.004 0.000 0.323 202 C C -0.414 174.399 174.990 -0.296 0.000 1.277 202 C CA -0.528 58.250 59.018 -0.400 0.000 1.517 202 C CB -0.214 27.305 27.740 -0.368 0.000 2.206 202 C HN 0.722 nan 8.230 nan 0.000 0.486 203 I N 5.513 125.901 120.570 -0.304 0.000 2.304 203 I HA 0.274 4.442 4.170 -0.004 0.000 0.291 203 I C 0.041 176.103 176.117 -0.093 0.000 1.018 203 I CA 0.395 61.561 61.300 -0.223 0.000 1.260 203 I CB 1.025 38.872 38.000 -0.254 0.000 1.390 203 I HN 0.681 nan 8.210 nan 0.000 0.475 204 D N 6.580 126.968 120.400 -0.020 0.000 2.427 204 D HA 0.287 4.924 4.640 -0.004 0.000 0.226 204 D C 0.578 176.910 176.300 0.053 0.000 1.076 204 D CA -0.380 53.633 54.000 0.021 0.000 0.849 204 D CB 1.245 42.062 40.800 0.028 0.000 1.052 204 D HN 0.321 nan 8.370 nan 0.000 0.515 205 V N 1.669 121.633 119.914 0.084 0.000 3.319 205 V HA 0.707 4.824 4.120 -0.004 0.000 0.317 205 V C 0.901 177.038 176.094 0.070 0.000 1.411 205 V CA 0.357 62.728 62.300 0.119 0.000 1.112 205 V CB -0.430 31.542 31.823 0.247 0.000 1.031 205 V HN 0.704 nan 8.190 nan 0.000 0.448 206 G N -0.300 108.531 108.800 0.051 0.000 2.434 206 G HA2 0.256 4.213 3.960 -0.004 0.000 0.671 206 G HA3 0.256 4.213 3.960 -0.004 0.000 0.671 206 G C -0.493 174.411 174.900 0.007 0.000 1.280 206 G CA -0.058 45.064 45.100 0.037 0.000 0.975 206 G HN 1.091 nan 8.290 nan 0.000 0.510 207 T N -1.237 113.294 114.554 -0.038 0.000 2.982 207 T HA 0.568 4.916 4.350 -0.004 0.000 0.321 207 T C -0.472 174.160 174.700 -0.113 0.000 1.229 207 T CA 0.212 62.255 62.100 -0.096 0.000 1.044 207 T CB 1.715 70.476 68.868 -0.179 0.000 1.184 207 T HN 0.405 nan 8.240 nan 0.000 0.477 208 D N 2.397 122.735 120.400 -0.103 0.000 2.339 208 D HA 0.109 4.747 4.640 -0.004 0.000 0.217 208 D C 0.637 176.875 176.300 -0.103 0.000 1.050 208 D CA 0.222 54.169 54.000 -0.089 0.000 0.856 208 D CB -0.010 40.747 40.800 -0.072 0.000 0.922 208 D HN 0.604 nan 8.370 nan 0.000 0.518 209 N N 1.521 120.136 118.700 -0.142 0.000 2.406 209 N HA -0.044 4.694 4.740 -0.004 0.000 0.269 209 N C 1.312 176.726 175.510 -0.160 0.000 1.210 209 N CA -0.293 52.667 53.050 -0.149 0.000 0.966 209 N CB 0.260 38.634 38.487 -0.187 0.000 1.293 209 N HN -0.160 nan 8.380 nan 0.000 0.491 210 I N 2.955 123.462 120.570 -0.106 0.000 2.248 210 I HA -0.289 3.879 4.170 -0.004 0.000 0.248 210 I C 2.196 178.259 176.117 -0.089 0.000 1.107 210 I CA 1.124 62.372 61.300 -0.086 0.000 1.373 210 I CB -1.454 36.513 38.000 -0.056 0.000 1.055 210 I HN 0.662 nan 8.210 nan 0.000 0.418 211 A N 0.496 123.266 122.820 -0.085 0.000 1.902 211 A HA -0.158 4.160 4.320 -0.004 0.000 0.217 211 A C 2.347 179.875 177.584 -0.093 0.000 1.181 211 A CA 1.209 53.210 52.037 -0.060 0.000 0.623 211 A CB -0.685 18.296 19.000 -0.032 0.000 0.818 211 A HN 0.433 nan 8.150 nan 0.000 0.443 212 L N -0.757 120.336 121.223 -0.216 0.000 2.156 212 L HA -0.068 4.269 4.340 -0.004 0.000 0.208 212 L C 2.257 178.890 176.870 -0.395 0.000 1.095 212 L CA 0.576 55.165 54.840 -0.419 0.000 0.770 212 L CB -0.469 41.099 42.059 -0.818 0.000 0.914 212 L HN 0.343 nan 8.230 nan 0.000 0.439 213 L N 0.485 121.554 121.223 -0.256 0.000 2.362 213 L HA -0.154 4.183 4.340 -0.004 0.000 0.219 213 L C 2.102 179.023 176.870 0.085 0.000 1.134 213 L CA 1.095 55.918 54.840 -0.029 0.000 0.807 213 L CB -0.267 41.769 42.059 -0.038 0.000 0.927 213 L HN 0.407 nan 8.230 nan 0.000 0.447 214 K N -1.788 118.616 120.400 0.006 0.000 2.387 214 K HA 0.125 4.442 4.320 -0.004 0.000 0.203 214 K C -0.000 176.603 176.600 0.005 0.000 1.030 214 K CA -0.297 55.981 56.287 -0.016 0.000 1.099 214 K CB 0.292 32.771 32.500 -0.035 0.000 0.863 214 K HN -0.109 nan 8.250 nan 0.000 0.529 215 D N 3.274 123.724 120.400 0.083 0.000 2.313 215 D HA 0.112 4.749 4.640 -0.004 0.000 0.239 215 D C -1.412 174.976 176.300 0.146 0.000 1.142 215 D CA -2.451 51.620 54.000 0.118 0.000 0.847 215 D CB 1.739 42.673 40.800 0.223 0.000 1.082 215 D HN -0.016 nan 8.370 nan 0.000 0.480 216 P HA -0.080 nan 4.420 nan 0.000 0.228 216 P C 0.608 177.830 177.300 -0.129 0.000 1.151 216 P CA 0.558 63.525 63.100 -0.221 0.000 0.770 216 P CB 0.041 31.436 31.700 -0.507 0.000 0.786 217 F N -2.258 117.832 119.950 0.234 0.000 2.664 217 F HA 0.231 4.755 4.527 -0.004 0.000 0.303 217 F C 1.228 177.257 175.800 0.381 0.000 1.092 217 F CA -1.755 56.389 58.000 0.241 0.000 1.305 217 F CB -1.261 37.861 39.000 0.204 0.000 1.054 217 F HN -0.145 nan 8.300 nan 0.000 0.565 218 Y N 1.231 121.742 120.300 0.352 0.000 2.702 218 Y HA -0.020 4.527 4.550 -0.004 0.000 0.336 218 Y C 1.230 177.157 175.900 0.044 0.000 1.235 218 Y CA 0.171 58.338 58.100 0.113 0.000 1.492 218 Y CB 0.629 38.961 38.460 -0.213 0.000 1.308 218 Y HN 0.024 nan 8.280 nan 0.000 0.589 219 M N 5.416 124.656 119.600 -0.601 0.000 2.404 219 M HA 0.262 4.739 4.480 -0.004 0.000 0.271 219 M C 0.504 176.285 176.300 -0.866 0.000 1.128 219 M CA 0.108 55.060 55.300 -0.579 0.000 0.982 219 M CB 0.432 32.874 32.600 -0.264 0.000 1.445 219 M HN 0.706 nan 8.290 nan 0.000 0.495 220 G N 0.161 107.987 108.800 -1.625 0.000 3.042 220 G HA2 0.617 4.575 3.960 -0.004 0.000 0.278 220 G HA3 0.617 4.575 3.960 -0.004 0.000 0.278 220 G C -1.211 173.362 174.900 -0.545 0.000 1.371 220 G CA -0.715 43.835 45.100 -0.917 0.000 1.009 220 G HN -0.069 nan 8.290 nan 0.000 0.523 221 L N 0.096 121.205 121.223 -0.191 0.000 2.490 221 L HA 0.182 4.520 4.340 -0.004 0.000 0.274 221 L C -0.222 176.633 176.870 -0.024 0.000 1.201 221 L CA -0.230 54.565 54.840 -0.076 0.000 0.869 221 L CB 0.009 42.071 42.059 0.006 0.000 1.123 221 L HN 0.430 nan 8.230 nan 0.000 0.484 222 Y N 3.723 124.091 120.300 0.114 0.000 2.667 222 Y HA 0.284 4.831 4.550 -0.004 0.000 0.340 222 Y C 0.546 176.465 175.900 0.032 0.000 1.303 222 Y CA -0.259 57.892 58.100 0.084 0.000 1.769 222 Y CB -0.246 38.245 38.460 0.052 0.000 1.804 222 Y HN 0.574 nan 8.280 nan 0.000 0.451 223 Q N -0.314 119.555 119.800 0.115 0.000 2.435 223 Q HA 0.463 4.800 4.340 -0.004 0.000 0.282 223 Q C -1.273 174.740 176.000 0.022 0.000 1.020 223 Q CA -1.456 54.386 55.803 0.066 0.000 0.820 223 Q CB 1.594 30.369 28.738 0.062 0.000 1.436 223 Q HN -0.020 nan 8.270 nan 0.000 0.395 224 K N 1.374 121.778 120.400 0.006 0.000 2.276 224 K HA 0.232 4.550 4.320 -0.004 0.000 0.259 224 K C -0.112 176.480 176.600 -0.014 0.000 1.001 224 K CA -0.212 56.064 56.287 -0.018 0.000 0.927 224 K CB 0.377 32.865 32.500 -0.020 0.000 0.969 224 K HN 0.576 nan 8.250 nan 0.000 0.490 225 R N 1.484 121.963 120.500 -0.036 0.000 2.585 225 R HA -0.063 4.275 4.340 -0.004 0.000 0.275 225 R C 0.234 176.516 176.300 -0.031 0.000 1.018 225 R CA 0.093 56.168 56.100 -0.041 0.000 1.072 225 R CB 0.225 30.471 30.300 -0.090 0.000 0.953 225 R HN 0.459 nan 8.270 nan 0.000 0.419 226 D N 2.631 123.034 120.400 0.005 0.000 2.336 226 D HA 0.023 4.661 4.640 -0.004 0.000 0.249 226 D C 0.103 176.407 176.300 0.008 0.000 1.213 226 D CA 0.079 54.104 54.000 0.041 0.000 0.870 226 D CB 0.642 41.507 40.800 0.108 0.000 1.076 226 D HN 0.402 nan 8.370 nan 0.000 0.483 227 R N 2.115 122.608 120.500 -0.011 0.000 2.507 227 R HA 0.113 4.450 4.340 -0.004 0.000 0.298 227 R C 0.849 177.185 176.300 0.060 0.000 0.999 227 R CA -0.246 55.832 56.100 -0.038 0.000 1.082 227 R CB 0.551 30.806 30.300 -0.075 0.000 1.246 227 R HN 0.472 nan 8.270 nan 0.000 0.553 228 T N -2.633 111.984 114.554 0.105 0.000 2.833 228 T HA 0.050 4.398 4.350 -0.004 0.000 0.292 228 T C 1.295 176.101 174.700 0.176 0.000 1.031 228 T CA -0.629 61.540 62.100 0.115 0.000 0.937 228 T CB 1.097 70.020 68.868 0.091 0.000 1.256 228 T HN -0.155 nan 8.240 nan 0.000 0.551 229 Q N -0.072 119.813 119.800 0.141 0.000 2.234 229 Q HA -0.154 4.183 4.340 -0.004 0.000 0.206 229 Q C 2.342 178.441 176.000 0.164 0.000 0.980 229 Q CA 1.666 57.559 55.803 0.150 0.000 0.869 229 Q CB -0.501 28.300 28.738 0.105 0.000 0.912 229 Q HN 0.768 nan 8.270 nan 0.000 0.436 230 Q N -1.177 118.715 119.800 0.153 0.000 2.181 230 Q HA -0.219 4.119 4.340 -0.004 0.000 0.205 230 Q C 1.775 177.886 176.000 0.185 0.000 0.980 230 Q CA 1.538 57.426 55.803 0.143 0.000 0.862 230 Q CB -0.275 28.538 28.738 0.125 0.000 0.905 230 Q HN 0.422 nan 8.270 nan 0.000 0.429 231 Y N 1.919 122.296 120.300 0.129 0.000 2.089 231 Y HA -0.247 4.301 4.550 -0.004 0.000 0.282 231 Y C 1.421 177.456 175.900 0.226 0.000 1.139 231 Y CA 2.124 60.327 58.100 0.172 0.000 1.123 231 Y CB -0.285 38.292 38.460 0.195 0.000 0.980 231 Y HN 0.084 nan 8.280 nan 0.000 0.493 232 D N 0.038 120.565 120.400 0.210 0.000 2.149 232 D HA -0.175 4.462 4.640 -0.004 0.000 0.198 232 D C 1.681 178.025 176.300 0.074 0.000 0.990 232 D CA 1.750 55.853 54.000 0.171 0.000 0.839 232 D CB -0.251 40.720 40.800 0.285 0.000 0.948 232 D HN 0.406 nan 8.370 nan 0.000 0.460 233 D N -0.262 120.188 120.400 0.083 0.000 2.144 233 D HA -0.097 4.540 4.640 -0.004 0.000 0.200 233 D C 1.987 178.301 176.300 0.022 0.000 0.978 233 D CA 0.293 54.329 54.000 0.060 0.000 0.833 233 D CB -0.291 40.547 40.800 0.064 0.000 0.961 233 D HN 0.130 nan 8.370 nan 0.000 0.470 234 L N 0.788 122.011 121.223 -0.000 0.000 2.046 234 L HA -0.130 4.207 4.340 -0.004 0.000 0.208 234 L C 1.918 178.760 176.870 -0.046 0.000 1.077 234 L CA 1.313 56.144 54.840 -0.016 0.000 0.747 234 L CB -0.396 41.656 42.059 -0.012 0.000 0.896 234 L HN -0.054 nan 8.230 nan 0.000 0.432 235 I N -0.278 120.203 120.570 -0.150 0.000 2.286 235 I HA -0.249 3.918 4.170 -0.004 0.000 0.248 235 I C 2.170 178.250 176.117 -0.063 0.000 1.115 235 I CA 1.179 62.374 61.300 -0.174 0.000 1.392 235 I CB -1.475 36.219 38.000 -0.509 0.000 1.065 235 I HN 0.311 nan 8.210 nan 0.000 0.418 236 D N 0.559 120.956 120.400 -0.005 0.000 2.097 236 D HA -0.201 4.436 4.640 -0.004 0.000 0.195 236 D C 2.157 178.440 176.300 -0.029 0.000 0.989 236 D CA 1.073 55.100 54.000 0.045 0.000 0.827 236 D CB -0.077 40.791 40.800 0.114 0.000 0.966 236 D HN 0.397 nan 8.370 nan 0.000 0.456 237 E N -0.720 119.476 120.200 -0.006 0.000 2.110 237 E HA -0.185 4.162 4.350 -0.004 0.000 0.193 237 E C 1.990 178.564 176.600 -0.043 0.000 0.988 237 E CA 0.487 56.877 56.400 -0.018 0.000 0.804 237 E CB -0.131 29.570 29.700 0.002 0.000 0.745 237 E HN 0.215 nan 8.360 nan 0.000 0.458 238 F N 1.193 121.038 119.950 -0.176 0.000 2.051 238 F HA -0.256 4.269 4.527 -0.004 0.000 0.296 238 F C 2.079 177.701 175.800 -0.295 0.000 1.122 238 F CA 1.509 59.377 58.000 -0.220 0.000 1.201 238 F CB -0.401 38.446 39.000 -0.256 0.000 0.978 238 F HN 0.003 nan 8.300 nan 0.000 0.472 239 M N 0.645 119.775 119.600 -0.782 0.000 2.082 239 M HA -0.230 4.247 4.480 -0.004 0.000 0.258 239 M C 2.208 178.057 176.300 -0.751 0.000 1.069 239 M CA 1.631 56.272 55.300 -1.100 0.000 1.102 239 M CB -1.413 30.443 32.600 -1.240 0.000 1.336 239 M HN 0.171 nan 8.290 nan 0.000 0.404 240 K N 0.023 120.196 120.400 -0.379 0.000 2.002 240 K HA -0.064 4.253 4.320 -0.004 0.000 0.209 240 K C 2.060 178.557 176.600 -0.172 0.000 1.048 240 K CA 1.617 57.816 56.287 -0.148 0.000 0.930 240 K CB -0.417 32.054 32.500 -0.048 0.000 0.714 240 K HN 0.333 nan 8.250 nan 0.000 0.438 241 A N 1.793 124.496 122.820 -0.196 0.000 1.883 241 A HA -0.179 4.138 4.320 -0.004 0.000 0.217 241 A C 2.142 179.607 177.584 -0.200 0.000 1.186 241 A CA 1.397 53.339 52.037 -0.158 0.000 0.624 241 A CB -0.487 18.452 19.000 -0.102 0.000 0.822 241 A HN 0.184 nan 8.150 nan 0.000 0.444 242 I N 0.765 121.148 120.570 -0.312 0.000 2.179 242 I HA -0.213 3.954 4.170 -0.004 0.000 0.242 242 I C 2.841 178.887 176.117 -0.119 0.000 1.088 242 I CA 2.350 63.513 61.300 -0.228 0.000 1.357 242 I CB -1.822 35.890 38.000 -0.479 0.000 1.051 242 I HN 0.585 nan 8.210 nan 0.000 0.409 243 T N -2.110 112.339 114.554 -0.174 0.000 2.904 243 T HA -0.118 4.230 4.350 -0.004 0.000 0.267 243 T C 1.564 176.241 174.700 -0.038 0.000 1.059 243 T CA 1.034 63.105 62.100 -0.048 0.000 1.137 243 T CB -0.302 68.593 68.868 0.045 0.000 0.879 243 T HN 0.136 nan 8.240 nan 0.000 0.467 244 D N 1.307 121.660 120.400 -0.077 0.000 2.117 244 D HA -0.054 4.583 4.640 -0.004 0.000 0.197 244 D C 2.263 178.487 176.300 -0.127 0.000 0.987 244 D CA 1.038 54.991 54.000 -0.078 0.000 0.829 244 D CB -0.266 40.486 40.800 -0.080 0.000 0.961 244 D HN 0.465 nan 8.370 nan 0.000 0.460 245 R N -0.904 119.461 120.500 -0.224 0.000 2.080 245 R HA -0.046 4.291 4.340 -0.004 0.000 0.222 245 R C 1.652 177.693 176.300 -0.432 0.000 1.107 245 R CA 0.852 56.710 56.100 -0.404 0.000 0.980 245 R CB -0.045 29.842 30.300 -0.688 0.000 0.879 245 R HN 0.256 nan 8.270 nan 0.000 0.439 246 Y N -0.753 119.513 120.300 -0.057 0.000 2.458 246 Y HA 0.353 4.900 4.550 -0.005 0.000 0.254 246 Y C 0.604 176.489 175.900 -0.025 0.000 1.120 246 Y CA 0.081 58.153 58.100 -0.046 0.000 1.282 246 Y CB 1.459 39.888 38.460 -0.052 0.000 1.109 246 Y HN 0.327 nan 8.280 nan 0.000 0.526 247 G N 0.479 109.334 108.800 0.092 0.000 2.592 247 G HA2 -0.150 3.808 3.960 -0.004 0.000 0.685 247 G HA3 -0.150 3.808 3.960 -0.004 0.000 0.685 247 G C -0.171 174.763 174.900 0.057 0.000 1.278 247 G CA -0.666 44.472 45.100 0.064 0.000 0.822 247 G HN 0.131 nan 8.290 nan 0.000 0.652 248 R N 0.679 121.203 120.500 0.039 0.000 2.189 248 R HA -0.085 4.252 4.340 -0.004 0.000 0.223 248 R C 2.170 178.501 176.300 0.052 0.000 1.092 248 R CA 1.600 57.737 56.100 0.060 0.000 0.989 248 R CB -0.103 30.202 30.300 0.007 0.000 0.876 248 R HN 0.616 nan 8.270 nan 0.000 0.457 249 N N -0.462 118.246 118.700 0.013 0.000 2.322 249 N HA -0.044 4.693 4.740 -0.004 0.000 0.194 249 N C -0.606 174.929 175.510 0.041 0.000 1.126 249 N CA 0.101 53.149 53.050 -0.003 0.000 0.845 249 N CB 0.110 38.578 38.487 -0.031 0.000 0.976 249 N HN -0.163 nan 8.380 nan 0.000 0.475 250 T N 2.307 116.891 114.554 0.050 0.000 2.871 250 T HA 0.007 4.354 4.350 -0.004 0.000 0.296 250 T C 0.450 175.174 174.700 0.041 0.000 0.998 250 T CA -0.296 61.825 62.100 0.034 0.000 1.162 250 T CB 0.780 69.653 68.868 0.008 0.000 0.947 250 T HN 0.226 nan 8.240 nan 0.000 0.536 251 L N 5.269 126.535 121.223 0.070 0.000 2.462 251 L HA 0.340 4.677 4.340 -0.004 0.000 0.272 251 L C -0.475 176.437 176.870 0.070 0.000 1.166 251 L CA 0.063 54.983 54.840 0.133 0.000 0.880 251 L CB 0.128 42.314 42.059 0.212 0.000 1.142 251 L HN 0.657 nan 8.230 nan 0.000 0.473 252 I N 5.619 126.232 120.570 0.072 0.000 2.448 252 I HA 0.205 4.372 4.170 -0.004 0.000 0.281 252 I C -0.264 175.832 176.117 -0.036 0.000 1.027 252 I CA -0.298 60.982 61.300 -0.033 0.000 1.111 252 I CB 1.695 39.633 38.000 -0.103 0.000 1.236 252 I HN 0.585 nan 8.210 nan 0.000 0.452 253 Q N 6.502 126.193 119.800 -0.182 0.000 2.390 253 Q HA 0.372 4.709 4.340 -0.004 0.000 0.249 253 Q C -1.194 174.621 176.000 -0.307 0.000 0.996 253 Q CA -0.699 54.832 55.803 -0.453 0.000 0.899 253 Q CB 0.720 29.185 28.738 -0.455 0.000 1.216 253 Q HN 0.410 nan 8.270 nan 0.000 0.465 254 F N 2.721 122.456 119.950 -0.358 0.000 2.495 254 F HA 0.174 4.698 4.527 -0.005 0.000 0.365 254 F C 0.508 176.245 175.800 -0.105 0.000 1.090 254 F CA 0.176 58.059 58.000 -0.196 0.000 1.235 254 F CB 0.911 39.716 39.000 -0.325 0.000 1.119 254 F HN 0.549 nan 8.300 nan 0.000 0.562 255 E N 1.717 122.037 120.200 0.199 0.000 2.275 255 E HA 0.315 4.663 4.350 -0.004 0.000 0.270 255 E C -1.208 175.492 176.600 0.167 0.000 0.882 255 E CA -0.576 55.887 56.400 0.105 0.000 0.758 255 E CB 0.938 30.601 29.700 -0.062 0.000 1.195 255 E HN 0.486 nan 8.360 nan 0.000 0.419 256 D N 2.266 122.739 120.400 0.122 0.000 2.723 256 D HA -0.218 4.419 4.640 -0.004 0.000 0.236 256 D C -0.945 175.386 176.300 0.051 0.000 1.138 256 D CA 0.927 54.959 54.000 0.054 0.000 0.676 256 D CB -1.370 39.405 40.800 -0.043 0.000 1.069 256 D HN 0.237 nan 8.370 nan 0.000 0.430 257 F N 0.479 120.460 119.950 0.052 0.000 2.378 257 F HA 0.559 5.083 4.527 -0.005 0.000 0.325 257 F C 1.889 177.725 175.800 0.060 0.000 1.097 257 F CA 0.047 58.112 58.000 0.108 0.000 1.079 257 F CB 0.883 40.022 39.000 0.231 0.000 1.240 257 F HN -0.040 nan 8.300 nan 0.000 0.519 258 G N 1.452 110.388 108.800 0.227 0.000 2.594 258 G HA2 -0.040 3.917 3.960 -0.004 0.000 0.243 258 G HA3 -0.040 3.917 3.960 -0.004 0.000 0.243 258 G C 0.924 175.916 174.900 0.153 0.000 1.229 258 G CA -0.366 44.816 45.100 0.137 0.000 0.843 258 G HN 0.746 nan 8.290 nan 0.000 0.578 259 N N 0.348 119.127 118.700 0.131 0.000 2.027 259 N HA -0.298 4.439 4.740 -0.004 0.000 0.200 259 N C 1.841 177.477 175.510 0.210 0.000 1.042 259 N CA 2.316 55.473 53.050 0.180 0.000 0.871 259 N CB -0.514 38.063 38.487 0.150 0.000 1.063 259 N HN 0.763 nan 8.380 nan 0.000 0.438 260 H N 0.615 119.719 119.070 0.056 0.000 2.265 260 H HA -0.053 4.500 4.556 -0.004 0.000 0.293 260 H C 1.874 177.171 175.328 -0.052 0.000 1.089 260 H CA 2.748 58.797 56.048 0.002 0.000 1.244 260 H CB -0.654 29.090 29.762 -0.031 0.000 1.355 260 H HN 0.466 nan 8.280 nan 0.000 0.485 261 N N -0.292 118.331 118.700 -0.129 0.000 2.166 261 N HA -0.141 4.597 4.740 -0.004 0.000 0.186 261 N C 2.087 177.357 175.510 -0.400 0.000 1.019 261 N CA 0.701 53.509 53.050 -0.403 0.000 0.856 261 N CB -0.179 38.344 38.487 0.060 0.000 0.993 261 N HN 0.483 nan 8.380 nan 0.000 0.426 262 A N 1.109 123.871 122.820 -0.098 0.000 1.873 262 A HA -0.181 4.136 4.320 -0.004 0.000 0.218 262 A C 1.839 179.206 177.584 -0.361 0.000 1.193 262 A CA 1.439 53.364 52.037 -0.187 0.000 0.629 262 A CB -0.994 17.904 19.000 -0.171 0.000 0.826 262 A HN 0.225 nan 8.150 nan 0.000 0.447 263 F N 0.345 120.112 119.950 -0.304 0.000 2.113 263 F HA -0.139 4.386 4.527 -0.004 0.000 0.297 263 F C 2.670 178.311 175.800 -0.266 0.000 1.103 263 F CA 1.752 59.553 58.000 -0.332 0.000 1.248 263 F CB -0.341 38.322 39.000 -0.561 0.000 0.999 263 F HN 0.302 nan 8.300 nan 0.000 0.475 264 R N 0.062 120.453 120.500 -0.181 0.000 2.096 264 R HA -0.179 4.158 4.340 -0.004 0.000 0.235 264 R C 2.084 178.255 176.300 -0.216 0.000 1.127 264 R CA 1.873 57.832 56.100 -0.234 0.000 0.968 264 R CB -1.564 28.482 30.300 -0.423 0.000 0.861 264 R HN 0.279 nan 8.270 nan 0.000 0.440 265 F N 0.863 120.633 119.950 -0.299 0.000 2.259 265 F HA -0.089 4.435 4.527 -0.004 0.000 0.298 265 F C 2.303 177.835 175.800 -0.448 0.000 1.088 265 F CA -0.033 57.697 58.000 -0.452 0.000 1.358 265 F CB -0.065 38.610 39.000 -0.541 0.000 1.040 265 F HN 0.027 nan 8.300 nan 0.000 0.505 266 L N 1.043 122.137 121.223 -0.215 0.000 2.027 266 L HA -0.166 4.172 4.340 -0.004 0.000 0.206 266 L C 2.473 179.321 176.870 -0.037 0.000 1.074 266 L CA 1.708 56.453 54.840 -0.157 0.000 0.745 266 L CB -0.753 41.202 42.059 -0.173 0.000 0.898 266 L HN -0.014 nan 8.230 nan 0.000 0.433 267 R N -0.350 120.141 120.500 -0.014 0.000 2.075 267 R HA -0.212 4.126 4.340 -0.004 0.000 0.232 267 R C 2.457 178.728 176.300 -0.048 0.000 1.126 267 R CA 1.812 57.924 56.100 0.020 0.000 0.963 267 R CB -0.285 30.059 30.300 0.074 0.000 0.858 267 R HN 0.407 nan 8.270 nan 0.000 0.435 268 K N -0.575 119.733 120.400 -0.153 0.000 2.057 268 K HA -0.171 4.146 4.320 -0.004 0.000 0.207 268 K C 1.213 177.664 176.600 -0.248 0.000 1.049 268 K CA 1.655 57.766 56.287 -0.293 0.000 0.931 268 K CB -0.030 32.139 32.500 -0.552 0.000 0.714 268 K HN 0.351 nan 8.250 nan 0.000 0.440 269 Y N 0.026 120.366 120.300 0.067 0.000 2.481 269 Y HA 0.116 4.664 4.550 -0.004 0.000 0.258 269 Y C 2.032 178.021 175.900 0.148 0.000 1.103 269 Y CA -0.168 58.025 58.100 0.155 0.000 1.287 269 Y CB 0.220 38.792 38.460 0.187 0.000 1.108 269 Y HN 0.048 nan 8.280 nan 0.000 0.529 270 R N 1.270 121.898 120.500 0.214 0.000 2.170 270 R HA -0.178 4.159 4.340 -0.004 0.000 0.242 270 R C 0.843 177.195 176.300 0.087 0.000 1.145 270 R CA 2.056 58.273 56.100 0.194 0.000 0.984 270 R CB -0.433 29.957 30.300 0.150 0.000 0.869 270 R HN 0.391 nan 8.270 nan 0.000 0.455 271 E N 0.097 120.257 120.200 -0.067 0.000 2.476 271 E HA 0.018 4.365 4.350 -0.004 0.000 0.199 271 E C 1.374 177.653 176.600 -0.535 0.000 1.021 271 E CA 0.121 56.282 56.400 -0.398 0.000 0.907 271 E CB 0.471 30.034 29.700 -0.229 0.000 0.974 271 E HN 0.370 nan 8.360 nan 0.000 0.489 272 K N -0.185 120.123 120.400 -0.153 0.000 2.287 272 K HA 0.077 4.395 4.320 -0.004 0.000 0.199 272 K C -0.107 176.398 176.600 -0.159 0.000 1.061 272 K CA 0.474 56.648 56.287 -0.189 0.000 0.976 272 K CB 0.537 32.885 32.500 -0.253 0.000 0.898 272 K HN -0.080 nan 8.250 nan 0.000 0.492 273 Y N -1.160 119.323 120.300 0.305 0.000 2.662 273 Y HA 0.312 4.858 4.550 -0.005 0.000 0.335 273 Y C -0.601 175.476 175.900 0.294 0.000 1.066 273 Y CA -1.390 56.845 58.100 0.226 0.000 1.116 273 Y CB 1.309 39.817 38.460 0.079 0.000 1.308 273 Y HN -0.147 nan 8.280 nan 0.000 0.502 274 C N 2.236 121.725 119.300 0.314 0.000 2.218 274 C HA 0.615 5.073 4.460 -0.004 0.000 0.353 274 C C 0.012 175.179 174.990 0.296 0.000 1.070 274 C CA 0.226 59.383 59.018 0.233 0.000 1.497 274 C CB -2.178 25.633 27.740 0.117 0.000 1.951 274 C HN 0.698 nan 8.230 nan 0.000 0.493 275 T N 4.695 119.471 114.554 0.369 0.000 2.894 275 T HA 0.794 5.141 4.350 -0.004 0.000 0.309 275 T C -1.043 173.936 174.700 0.465 0.000 1.208 275 T CA -0.373 61.948 62.100 0.370 0.000 1.016 275 T CB 1.253 70.310 68.868 0.315 0.000 1.192 275 T HN 0.902 nan 8.240 nan 0.000 0.491 276 F N 1.446 121.554 119.950 0.263 0.000 2.711 276 F HA 0.671 5.195 4.527 -0.005 0.000 0.313 276 F C -1.319 174.575 175.800 0.157 0.000 1.141 276 F CA -1.170 56.956 58.000 0.211 0.000 0.941 276 F CB 1.377 40.605 39.000 0.379 0.000 1.349 276 F HN 0.487 nan 8.300 nan 0.000 0.464 277 N N 1.792 120.535 118.700 0.072 0.000 2.446 277 N HA 0.143 4.880 4.740 -0.004 0.000 0.265 277 N C -0.222 175.327 175.510 0.065 0.000 0.975 277 N CA -0.139 52.870 53.050 -0.068 0.000 0.928 277 N CB 1.612 40.003 38.487 -0.160 0.000 1.160 277 N HN 0.943 nan 8.380 nan 0.000 0.495 278 D N 2.366 122.782 120.400 0.027 0.000 2.144 278 D HA -0.136 4.501 4.640 -0.004 0.000 0.199 278 D C 0.682 177.066 176.300 0.141 0.000 0.984 278 D CA 1.417 55.558 54.000 0.235 0.000 0.834 278 D CB 0.377 41.251 40.800 0.122 0.000 0.955 278 D HN 0.565 nan 8.370 nan 0.000 0.465 279 D N -0.578 119.850 120.400 0.046 0.000 2.224 279 D HA -0.060 4.577 4.640 -0.004 0.000 0.205 279 D C 2.092 178.364 176.300 -0.046 0.000 0.965 279 D CA 0.529 54.538 54.000 0.014 0.000 0.852 279 D CB 0.388 41.188 40.800 -0.001 0.000 0.947 279 D HN 0.399 nan 8.370 nan 0.000 0.494 280 I N 0.203 120.696 120.570 -0.128 0.000 2.729 280 I HA -0.121 4.046 4.170 -0.004 0.000 0.256 280 I C 2.240 178.256 176.117 -0.169 0.000 1.115 280 I CA 0.478 61.656 61.300 -0.205 0.000 1.446 280 I CB 0.108 37.852 38.000 -0.426 0.000 1.176 280 I HN -0.180 nan 8.210 nan 0.000 0.446 281 Q N 0.563 120.219 119.800 -0.240 0.000 2.200 281 Q HA 0.067 4.405 4.340 -0.004 0.000 0.197 281 Q C 2.272 178.044 176.000 -0.379 0.000 0.953 281 Q CA 1.135 56.609 55.803 -0.548 0.000 0.851 281 Q CB -0.248 27.781 28.738 -1.183 0.000 0.938 281 Q HN 0.511 nan 8.270 nan 0.000 0.488 282 G N 0.674 109.463 108.800 -0.018 0.000 2.459 282 G HA2 -0.261 3.697 3.960 -0.004 0.000 0.217 282 G HA3 -0.261 3.697 3.960 -0.004 0.000 0.217 282 G C 1.417 176.447 174.900 0.217 0.000 1.183 282 G CA 1.467 46.736 45.100 0.281 0.000 0.776 282 G HN 0.245 nan 8.290 nan 0.000 0.552 283 T N 1.555 116.204 114.554 0.159 0.000 2.833 283 T HA 0.046 4.393 4.350 -0.004 0.000 0.269 283 T C 2.746 177.529 174.700 0.138 0.000 1.054 283 T CA 1.383 63.571 62.100 0.146 0.000 1.135 283 T CB -0.285 68.650 68.868 0.111 0.000 0.869 283 T HN 0.388 nan 8.240 nan 0.000 0.466 284 A N 1.341 124.214 122.820 0.088 0.000 1.902 284 A HA 0.179 4.496 4.320 -0.004 0.000 0.217 284 A C 2.623 180.295 177.584 0.147 0.000 1.181 284 A CA 1.736 53.831 52.037 0.095 0.000 0.623 284 A CB -1.002 18.008 19.000 0.017 0.000 0.818 284 A HN 0.504 nan 8.150 nan 0.000 0.443 285 A N -0.263 122.661 122.820 0.173 0.000 1.898 285 A HA 0.046 4.364 4.320 -0.004 0.000 0.216 285 A C 2.219 179.928 177.584 0.208 0.000 1.181 285 A CA 1.801 53.967 52.037 0.214 0.000 0.620 285 A CB -1.030 18.151 19.000 0.302 0.000 0.819 285 A HN 0.608 nan 8.150 nan 0.000 0.442 286 V N -0.319 119.723 119.914 0.214 0.000 2.295 286 V HA -0.217 3.900 4.120 -0.004 0.000 0.246 286 V C 2.907 179.187 176.094 0.311 0.000 1.049 286 V CA 1.856 64.292 62.300 0.227 0.000 1.024 286 V CB -1.806 30.095 31.823 0.130 0.000 0.648 286 V HN 0.551 nan 8.190 nan 0.000 0.447 287 A N 0.845 123.834 122.820 0.282 0.000 1.865 287 A HA -0.219 4.098 4.320 -0.004 0.000 0.217 287 A C 2.225 180.023 177.584 0.356 0.000 1.191 287 A CA 2.309 54.579 52.037 0.387 0.000 0.623 287 A CB -0.798 18.414 19.000 0.352 0.000 0.826 287 A HN 0.489 nan 8.150 nan 0.000 0.444 288 L N -0.028 121.335 121.223 0.233 0.000 2.013 288 L HA -0.167 4.170 4.340 -0.004 0.000 0.212 288 L C 2.658 179.604 176.870 0.126 0.000 1.073 288 L CA 2.518 57.450 54.840 0.154 0.000 0.753 288 L CB -1.072 41.064 42.059 0.128 0.000 0.890 288 L HN 0.393 nan 8.230 nan 0.000 0.432 289 A N -0.492 122.414 122.820 0.144 0.000 1.917 289 A HA -0.175 4.142 4.320 -0.004 0.000 0.219 289 A C 2.360 179.898 177.584 -0.077 0.000 1.182 289 A CA 1.973 54.050 52.037 0.067 0.000 0.633 289 A CB -1.677 17.409 19.000 0.145 0.000 0.819 289 A HN 0.586 nan 8.150 nan 0.000 0.448 290 G N -0.858 107.921 108.800 -0.035 0.000 2.408 290 G HA2 -0.028 3.929 3.960 -0.004 0.000 0.217 290 G HA3 -0.028 3.929 3.960 -0.004 0.000 0.217 290 G C 1.346 176.303 174.900 0.095 0.000 1.150 290 G CA 1.025 45.999 45.100 -0.210 0.000 0.776 290 G HN 0.345 nan 8.290 nan 0.000 0.542 291 L N -0.011 121.298 121.223 0.145 0.000 2.093 291 L HA 0.094 4.431 4.340 -0.004 0.000 0.208 291 L C 2.696 179.548 176.870 -0.030 0.000 1.085 291 L CA 0.824 55.651 54.840 -0.023 0.000 0.755 291 L CB -0.811 41.189 42.059 -0.099 0.000 0.904 291 L HN 0.086 nan 8.230 nan 0.000 0.435 292 L N -0.785 120.429 121.223 -0.016 0.000 2.083 292 L HA -0.109 4.228 4.340 -0.004 0.000 0.209 292 L C 2.566 179.417 176.870 -0.031 0.000 1.083 292 L CA 1.888 56.718 54.840 -0.018 0.000 0.752 292 L CB -1.367 40.686 42.059 -0.011 0.000 0.899 292 L HN 0.245 nan 8.230 nan 0.000 0.433 293 A N -0.981 121.797 122.820 -0.070 0.000 1.898 293 A HA -0.075 4.243 4.320 -0.004 0.000 0.216 293 A C 2.477 180.044 177.584 -0.027 0.000 1.181 293 A CA 1.527 53.515 52.037 -0.081 0.000 0.620 293 A CB -0.840 18.047 19.000 -0.189 0.000 0.819 293 A HN 0.377 nan 8.150 nan 0.000 0.442 294 A N 0.405 123.223 122.820 -0.004 0.000 1.940 294 A HA -0.246 4.071 4.320 -0.004 0.000 0.219 294 A C 2.225 179.836 177.584 0.044 0.000 1.176 294 A CA 1.885 53.946 52.037 0.040 0.000 0.631 294 A CB -0.742 18.289 19.000 0.051 0.000 0.814 294 A HN 0.797 nan 8.150 nan 0.000 0.446 295 Q N -0.361 119.458 119.800 0.032 0.000 2.226 295 Q HA -0.168 4.169 4.340 -0.004 0.000 0.204 295 Q C 1.632 177.655 176.000 0.038 0.000 0.975 295 Q CA 1.764 57.597 55.803 0.050 0.000 0.866 295 Q CB -0.272 28.491 28.738 0.041 0.000 0.915 295 Q HN 0.606 nan 8.270 nan 0.000 0.440 296 K N 0.654 121.067 120.400 0.023 0.000 2.305 296 K HA -0.018 4.300 4.320 -0.004 0.000 0.199 296 K C 2.155 178.770 176.600 0.025 0.000 1.047 296 K CA 1.083 57.382 56.287 0.019 0.000 0.976 296 K CB 0.342 32.847 32.500 0.008 0.000 0.765 296 K HN 0.326 nan 8.250 nan 0.000 0.474 297 V N -0.560 119.374 119.914 0.033 0.000 2.649 297 V HA -0.018 4.099 4.120 -0.004 0.000 0.248 297 V C 1.679 177.800 176.094 0.045 0.000 1.054 297 V CA 0.925 63.251 62.300 0.042 0.000 1.073 297 V CB -0.512 31.346 31.823 0.059 0.000 0.699 297 V HN 0.287 nan 8.190 nan 0.000 0.463 298 I N -2.387 118.211 120.570 0.046 0.000 4.082 298 I HA 0.427 4.594 4.170 -0.004 0.000 0.337 298 I C 0.922 177.056 176.117 0.028 0.000 1.352 298 I CA 0.142 61.465 61.300 0.039 0.000 1.097 298 I CB 0.117 38.143 38.000 0.042 0.000 1.048 298 I HN 0.142 nan 8.210 nan 0.000 0.393 299 S N 2.152 117.871 115.700 0.031 0.000 3.524 299 S HA -0.231 4.236 4.470 -0.004 0.000 0.377 299 S C 0.186 174.799 174.600 0.021 0.000 0.949 299 S CA 0.801 59.017 58.200 0.026 0.000 1.264 299 S CB -1.537 61.673 63.200 0.018 0.000 0.918 299 S HN 0.750 nan 8.310 nan 0.000 0.517 300 K N 1.316 121.736 120.400 0.033 0.000 2.213 300 K HA 0.423 4.741 4.320 -0.004 0.000 0.270 300 K C -2.868 173.753 176.600 0.035 0.000 1.002 300 K CA -2.268 54.023 56.287 0.006 0.000 0.868 300 K CB 0.777 33.249 32.500 -0.046 0.000 1.093 300 K HN -0.057 nan 8.250 nan 0.000 0.454 301 P HA 0.031 nan 4.420 nan 0.000 0.271 301 P C 0.291 177.620 177.300 0.048 0.000 1.233 301 P CA -0.084 63.032 63.100 0.027 0.000 0.764 301 P CB 0.455 32.160 31.700 0.008 0.000 0.825 302 I N 1.327 121.952 120.570 0.092 0.000 3.164 302 I HA -0.146 4.021 4.170 -0.004 0.000 0.278 302 I C 1.156 177.335 176.117 0.103 0.000 1.320 302 I CA 1.261 62.643 61.300 0.136 0.000 1.422 302 I CB -0.777 37.291 38.000 0.113 0.000 1.066 302 I HN 0.301 nan 8.210 nan 0.000 0.503 303 S N 0.705 116.442 115.700 0.061 0.000 2.470 303 S HA -0.052 4.415 4.470 -0.004 0.000 0.225 303 S C 1.455 176.078 174.600 0.037 0.000 1.006 303 S CA 0.540 58.768 58.200 0.047 0.000 0.934 303 S CB 0.013 63.231 63.200 0.029 0.000 0.778 303 S HN 0.582 nan 8.310 nan 0.000 0.517 304 E N 0.065 120.273 120.200 0.012 0.000 2.474 304 E HA 0.109 4.456 4.350 -0.004 0.000 0.195 304 E C -0.058 176.497 176.600 -0.075 0.000 1.039 304 E CA -0.017 56.360 56.400 -0.039 0.000 0.881 304 E CB 0.223 29.874 29.700 -0.082 0.000 0.970 304 E HN 0.321 nan 8.360 nan 0.000 0.486 305 H N 1.786 120.863 119.070 0.011 0.000 2.562 305 H HA 0.319 4.873 4.556 -0.004 0.000 0.314 305 H C -0.653 174.694 175.328 0.031 0.000 1.079 305 H CA -0.150 55.901 56.048 0.005 0.000 1.349 305 H CB 1.089 30.849 29.762 -0.003 0.000 1.432 305 H HN -0.128 nan 8.280 nan 0.000 0.479 306 K N 5.229 125.761 120.400 0.220 0.000 2.483 306 K HA 0.381 4.698 4.320 -0.004 0.000 0.256 306 K C -1.105 175.593 176.600 0.162 0.000 0.961 306 K CA -0.403 55.992 56.287 0.180 0.000 0.873 306 K CB 0.274 32.831 32.500 0.094 0.000 1.107 306 K HN 0.457 nan 8.250 nan 0.000 0.432 307 I N 5.133 125.802 120.570 0.165 0.000 2.354 307 I HA 0.355 4.522 4.170 -0.004 0.000 0.292 307 I C -0.928 175.256 176.117 0.111 0.000 0.989 307 I CA -1.318 59.999 61.300 0.028 0.000 1.188 307 I CB 1.420 39.357 38.000 -0.103 0.000 1.342 307 I HN 0.437 nan 8.210 nan 0.000 0.457 308 L N 7.496 128.730 121.223 0.017 0.000 2.319 308 L HA 0.563 4.900 4.340 -0.004 0.000 0.281 308 L C -1.344 175.646 176.870 0.200 0.000 1.005 308 L CA 0.014 54.963 54.840 0.183 0.000 0.828 308 L CB 0.927 43.033 42.059 0.079 0.000 1.227 308 L HN 0.242 nan 8.230 nan 0.000 0.415 309 F N 5.040 125.208 119.950 0.363 0.000 2.394 309 F HA 0.440 4.965 4.527 -0.005 0.000 0.340 309 F C -0.006 176.044 175.800 0.417 0.000 1.105 309 F CA -0.352 57.840 58.000 0.321 0.000 1.124 309 F CB 1.586 40.696 39.000 0.184 0.000 1.145 309 F HN 0.382 nan 8.300 nan 0.000 0.505 310 L N 4.091 125.569 121.223 0.424 0.000 2.288 310 L HA 0.754 5.091 4.340 -0.004 0.000 0.283 310 L C -0.062 176.908 176.870 0.167 0.000 1.072 310 L CA 0.308 55.213 54.840 0.109 0.000 0.862 310 L CB -0.193 41.591 42.059 -0.458 0.000 1.245 310 L HN 0.714 nan 8.230 nan 0.000 0.432 311 G N 3.368 112.315 108.800 0.245 0.000 2.428 311 G HA2 0.425 4.382 3.960 -0.004 0.000 0.681 311 G HA3 0.425 4.382 3.960 -0.004 0.000 0.681 311 G C -0.676 174.300 174.900 0.126 0.000 1.340 311 G CA -0.359 44.826 45.100 0.142 0.000 0.915 311 G HN 1.262 nan 8.290 nan 0.000 0.645 312 A N 0.008 122.860 122.820 0.053 0.000 2.709 312 A HA 0.814 5.132 4.320 -0.004 0.000 0.241 312 A C 0.892 178.460 177.584 -0.027 0.000 0.879 312 A CA 1.052 53.084 52.037 -0.009 0.000 1.120 312 A CB -0.068 18.953 19.000 0.036 0.000 1.226 312 A HN 2.230 nan 8.150 nan 0.000 0.468 313 G N -0.651 108.151 108.800 0.002 0.000 2.940 313 G HA2 0.432 4.389 3.960 -0.004 0.000 0.164 313 G HA3 0.432 4.389 3.960 -0.004 0.000 0.164 313 G C 0.585 175.591 174.900 0.176 0.000 1.326 313 G CA 0.224 45.363 45.100 0.065 0.000 1.020 313 G HN 0.248 nan 8.290 nan 0.000 0.586 314 E N -0.270 120.081 120.200 0.251 0.000 2.048 314 E HA -0.259 4.089 4.350 -0.004 0.000 0.202 314 E C 2.767 179.389 176.600 0.037 0.000 1.021 314 E CA 1.631 58.107 56.400 0.128 0.000 0.825 314 E CB -0.239 29.426 29.700 -0.058 0.000 0.756 314 E HN 0.373 nan 8.360 nan 0.000 0.454 315 A N 1.160 123.992 122.820 0.020 0.000 1.872 315 A HA -0.029 4.288 4.320 -0.004 0.000 0.214 315 A C 2.386 179.943 177.584 -0.045 0.000 1.187 315 A CA 1.610 53.656 52.037 0.014 0.000 0.614 315 A CB -0.719 18.314 19.000 0.054 0.000 0.826 315 A HN 0.302 nan 8.150 nan 0.000 0.442 316 A N -0.040 122.704 122.820 -0.127 0.000 1.865 316 A HA -0.110 4.207 4.320 -0.004 0.000 0.217 316 A C 2.188 179.385 177.584 -0.645 0.000 1.191 316 A CA 1.674 53.386 52.037 -0.543 0.000 0.623 316 A CB -0.738 17.982 19.000 -0.466 0.000 0.826 316 A HN 0.476 nan 8.150 nan 0.000 0.444 317 L N -0.843 120.210 121.223 -0.282 0.000 2.093 317 L HA -0.098 4.239 4.340 -0.004 0.000 0.208 317 L C 2.843 179.684 176.870 -0.049 0.000 1.085 317 L CA 1.018 55.765 54.840 -0.155 0.000 0.755 317 L CB -0.853 41.245 42.059 0.066 0.000 0.904 317 L HN 0.504 nan 8.230 nan 0.000 0.435 318 G N 0.491 109.290 108.800 -0.003 0.000 2.421 318 G HA2 -0.202 3.756 3.960 -0.004 0.000 0.216 318 G HA3 -0.202 3.756 3.960 -0.004 0.000 0.216 318 G C 1.582 176.481 174.900 -0.002 0.000 1.171 318 G CA 0.704 45.804 45.100 0.001 0.000 0.775 318 G HN 0.264 nan 8.290 nan 0.000 0.543 319 I N 1.521 122.083 120.570 -0.013 0.000 2.179 319 I HA -0.177 3.990 4.170 -0.004 0.000 0.242 319 I C 3.328 179.492 176.117 0.078 0.000 1.088 319 I CA 1.040 62.396 61.300 0.093 0.000 1.357 319 I CB -0.325 37.831 38.000 0.260 0.000 1.051 319 I HN 0.235 nan 8.210 nan 0.000 0.409 320 A N 1.009 123.743 122.820 -0.144 0.000 1.908 320 A HA -0.244 4.073 4.320 -0.004 0.000 0.218 320 A C 2.134 179.727 177.584 0.014 0.000 1.181 320 A CA 2.067 53.975 52.037 -0.215 0.000 0.627 320 A CB -0.784 17.605 19.000 -1.020 0.000 0.818 320 A HN 0.453 nan 8.150 nan 0.000 0.445 321 N N -0.164 118.581 118.700 0.075 0.000 2.120 321 N HA -0.079 4.658 4.740 -0.004 0.000 0.188 321 N C 1.733 177.339 175.510 0.159 0.000 1.024 321 N CA 1.214 54.387 53.050 0.205 0.000 0.852 321 N CB -0.329 38.278 38.487 0.200 0.000 1.003 321 N HN 0.490 nan 8.380 nan 0.000 0.424 322 L N 0.913 122.210 121.223 0.123 0.000 2.093 322 L HA -0.043 4.294 4.340 -0.004 0.000 0.208 322 L C 2.186 179.128 176.870 0.120 0.000 1.085 322 L CA 0.655 55.568 54.840 0.121 0.000 0.755 322 L CB -0.238 41.891 42.059 0.117 0.000 0.904 322 L HN 0.114 nan 8.230 nan 0.000 0.435 323 I N -1.029 119.618 120.570 0.127 0.000 2.163 323 I HA -0.307 3.861 4.170 -0.004 0.000 0.243 323 I C 2.479 178.671 176.117 0.125 0.000 1.085 323 I CA 1.154 62.525 61.300 0.117 0.000 1.347 323 I CB -0.337 37.741 38.000 0.131 0.000 1.044 323 I HN 0.028 nan 8.210 nan 0.000 0.408 324 V N 0.753 120.767 119.914 0.165 0.000 2.287 324 V HA -0.349 3.769 4.120 -0.004 0.000 0.248 324 V C 2.498 178.665 176.094 0.123 0.000 1.053 324 V CA 2.164 64.565 62.300 0.169 0.000 1.027 324 V CB -0.522 31.437 31.823 0.227 0.000 0.646 324 V HN 0.401 nan 8.190 nan 0.000 0.447 325 M N -0.442 119.229 119.600 0.119 0.000 2.202 325 M HA -0.193 4.285 4.480 -0.004 0.000 0.262 325 M C 2.437 178.786 176.300 0.081 0.000 1.063 325 M CA 2.111 57.469 55.300 0.097 0.000 1.097 325 M CB -0.504 32.157 32.600 0.101 0.000 1.382 325 M HN 0.423 nan 8.290 nan 0.000 0.413 326 S N 0.254 116.003 115.700 0.080 0.000 2.371 326 S HA -0.042 4.425 4.470 -0.004 0.000 0.224 326 S C 1.864 176.501 174.600 0.061 0.000 1.029 326 S CA 0.963 59.201 58.200 0.064 0.000 0.978 326 S CB -0.007 63.228 63.200 0.060 0.000 0.833 326 S HN 0.399 nan 8.310 nan 0.000 0.466 327 M N 0.533 120.174 119.600 0.069 0.000 2.229 327 M HA -0.034 4.443 4.480 -0.004 0.000 0.264 327 M C 2.076 178.412 176.300 0.060 0.000 1.063 327 M CA 0.975 56.314 55.300 0.065 0.000 1.114 327 M CB -0.385 32.261 32.600 0.077 0.000 1.387 327 M HN 0.217 nan 8.290 nan 0.000 0.420 328 V N 1.354 121.306 119.914 0.064 0.000 2.358 328 V HA -0.251 3.866 4.120 -0.004 0.000 0.246 328 V C 2.171 178.295 176.094 0.050 0.000 1.047 328 V CA 2.268 64.601 62.300 0.056 0.000 1.035 328 V CB -0.956 30.903 31.823 0.060 0.000 0.658 328 V HN 0.603 nan 8.190 nan 0.000 0.452 329 E N 0.183 120.415 120.200 0.053 0.000 2.516 329 E HA -0.139 4.208 4.350 -0.004 0.000 0.199 329 E C 1.001 177.627 176.600 0.043 0.000 1.069 329 E CA 1.081 57.511 56.400 0.049 0.000 0.876 329 E CB -0.438 29.294 29.700 0.053 0.000 0.843 329 E HN 0.723 nan 8.360 nan 0.000 0.530 330 N N 0.001 118.727 118.700 0.043 0.000 2.328 330 N HA 0.198 4.936 4.740 -0.004 0.000 0.247 330 N C 0.072 175.604 175.510 0.037 0.000 1.165 330 N CA 0.130 53.204 53.050 0.039 0.000 0.873 330 N CB 1.313 39.825 38.487 0.041 0.000 1.125 330 N HN 0.311 nan 8.380 nan 0.000 0.513 331 G N 0.397 109.218 108.800 0.035 0.000 2.141 331 G HA2 -0.224 3.733 3.960 -0.004 0.000 0.231 331 G HA3 -0.224 3.733 3.960 -0.004 0.000 0.231 331 G C -0.406 174.514 174.900 0.032 0.000 0.984 331 G CA -0.177 44.942 45.100 0.031 0.000 0.660 331 G HN 0.127 nan 8.290 nan 0.000 0.525 332 L N 1.426 122.671 121.223 0.037 0.000 2.334 332 L HA 0.762 5.099 4.340 -0.004 0.000 0.273 332 L C 1.006 177.897 176.870 0.035 0.000 1.013 332 L CA -0.294 54.568 54.840 0.037 0.000 0.816 332 L CB 1.905 43.991 42.059 0.046 0.000 1.278 332 L HN 0.422 nan 8.230 nan 0.000 0.431 333 S N -0.252 115.465 115.700 0.028 0.000 2.592 333 S HA 0.196 4.663 4.470 -0.004 0.000 0.271 333 S C 0.950 175.566 174.600 0.026 0.000 1.326 333 S CA -0.316 57.898 58.200 0.023 0.000 1.024 333 S CB 0.922 64.130 63.200 0.013 0.000 0.921 333 S HN 0.751 nan 8.310 nan 0.000 0.527 334 E N 0.950 121.164 120.200 0.022 0.000 2.097 334 E HA -0.245 4.103 4.350 -0.004 0.000 0.196 334 E C 1.968 178.573 176.600 0.007 0.000 1.000 334 E CA 1.595 58.008 56.400 0.022 0.000 0.804 334 E CB -0.127 29.578 29.700 0.009 0.000 0.740 334 E HN 0.737 nan 8.360 nan 0.000 0.454 335 Q N 0.222 120.017 119.800 -0.009 0.000 2.030 335 Q HA -0.227 4.111 4.340 -0.004 0.000 0.204 335 Q C 2.162 178.155 176.000 -0.012 0.000 0.986 335 Q CA 1.877 57.666 55.803 -0.023 0.000 0.843 335 Q CB -0.201 28.523 28.738 -0.024 0.000 0.904 335 Q HN 0.449 nan 8.270 nan 0.000 0.420 336 E N 0.559 120.761 120.200 0.002 0.000 2.058 336 E HA -0.198 4.149 4.350 -0.004 0.000 0.194 336 E C 1.938 178.557 176.600 0.031 0.000 0.997 336 E CA 1.166 57.572 56.400 0.010 0.000 0.801 336 E CB -0.179 29.532 29.700 0.019 0.000 0.746 336 E HN 0.358 nan 8.360 nan 0.000 0.450 337 A N 1.202 124.054 122.820 0.054 0.000 1.877 337 A HA -0.278 4.040 4.320 -0.004 0.000 0.216 337 A C 2.074 179.741 177.584 0.139 0.000 1.186 337 A CA 1.634 53.728 52.037 0.094 0.000 0.620 337 A CB -0.540 18.522 19.000 0.104 0.000 0.822 337 A HN 0.201 nan 8.150 nan 0.000 0.443 338 Q N -0.772 119.103 119.800 0.125 0.000 2.170 338 Q HA -0.178 4.159 4.340 -0.004 0.000 0.203 338 Q C 1.871 177.969 176.000 0.162 0.000 0.976 338 Q CA 1.557 57.474 55.803 0.191 0.000 0.858 338 Q CB -0.173 28.535 28.738 -0.049 0.000 0.907 338 Q HN 0.455 nan 8.270 nan 0.000 0.433 339 K N 0.974 121.362 120.400 -0.020 0.000 2.280 339 K HA -0.089 4.229 4.320 -0.004 0.000 0.202 339 K C 1.316 177.796 176.600 -0.201 0.000 1.047 339 K CA 1.005 57.117 56.287 -0.292 0.000 0.942 339 K CB 0.152 32.528 32.500 -0.208 0.000 0.739 339 K HN 0.043 nan 8.250 nan 0.000 0.457 340 K N -0.158 120.268 120.400 0.043 0.000 2.487 340 K HA 0.151 4.468 4.320 -0.004 0.000 0.192 340 K C -0.225 176.537 176.600 0.270 0.000 1.027 340 K CA 0.277 56.659 56.287 0.159 0.000 1.054 340 K CB 0.294 32.885 32.500 0.152 0.000 0.824 340 K HN 0.061 nan 8.250 nan 0.000 0.510 341 I N 0.660 121.400 120.570 0.284 0.000 2.378 341 I HA 0.249 4.417 4.170 -0.004 0.000 0.291 341 I C -0.976 175.395 176.117 0.422 0.000 0.992 341 I CA -0.875 60.669 61.300 0.407 0.000 1.154 341 I CB 1.024 39.276 38.000 0.419 0.000 1.315 341 I HN -0.065 nan 8.210 nan 0.000 0.448 342 W N 6.427 127.971 121.300 0.407 0.000 2.781 342 W HA 0.704 5.361 4.660 -0.005 0.000 0.345 342 W C -0.486 176.271 176.519 0.396 0.000 1.085 342 W CA -0.490 57.087 57.345 0.386 0.000 1.198 342 W CB 1.529 31.171 29.460 0.304 0.000 1.423 342 W HN 0.119 nan 8.180 nan 0.000 0.532 343 M N 2.635 122.575 119.600 0.568 0.000 2.457 343 M HA 0.455 4.933 4.480 -0.004 0.000 0.300 343 M C -1.642 174.975 176.300 0.528 0.000 1.141 343 M CA -0.821 54.781 55.300 0.503 0.000 0.901 343 M CB 2.769 35.530 32.600 0.269 0.000 1.687 343 M HN 0.350 nan 8.290 nan 0.000 0.449 344 F N 3.190 123.370 119.950 0.383 0.000 2.610 344 F HA 0.359 4.883 4.527 -0.005 0.000 0.355 344 F C -0.550 175.402 175.800 0.254 0.000 1.140 344 F CA -0.664 57.544 58.000 0.346 0.000 1.037 344 F CB 0.572 39.870 39.000 0.497 0.000 1.287 344 F HN 0.678 nan 8.300 nan 0.000 0.457 345 D N 3.331 123.747 120.400 0.026 0.000 2.539 345 D HA 0.170 4.808 4.640 -0.004 0.000 0.280 345 D C 1.028 177.242 176.300 -0.143 0.000 1.208 345 D CA -0.428 53.582 54.000 0.015 0.000 1.088 345 D CB 0.404 41.233 40.800 0.048 0.000 1.149 345 D HN 0.516 nan 8.370 nan 0.000 0.596 346 K N -1.255 119.030 120.400 -0.190 0.000 2.442 346 K HA -0.171 4.146 4.320 -0.004 0.000 0.199 346 K C 0.918 177.210 176.600 -0.512 0.000 1.044 346 K CA 1.252 57.327 56.287 -0.354 0.000 0.941 346 K CB -0.532 31.671 32.500 -0.495 0.000 0.759 346 K HN 0.467 nan 8.250 nan 0.000 0.472 347 Y N 0.400 120.604 120.300 -0.160 0.000 2.449 347 Y HA 0.285 4.832 4.550 -0.005 0.000 0.254 347 Y C 1.215 176.941 175.900 -0.290 0.000 1.140 347 Y CA 0.074 58.078 58.100 -0.159 0.000 1.272 347 Y CB 1.319 39.716 38.460 -0.105 0.000 1.114 347 Y HN 0.368 nan 8.280 nan 0.000 0.525 348 G N 0.327 108.800 108.800 -0.544 0.000 2.306 348 G HA2 -0.099 3.858 3.960 -0.004 0.000 0.262 348 G HA3 -0.099 3.858 3.960 -0.004 0.000 0.262 348 G C -1.750 172.625 174.900 -0.875 0.000 1.263 348 G CA -1.051 43.398 45.100 -1.085 0.000 1.088 348 G HN -0.025 nan 8.290 nan 0.000 0.489 349 L N 1.065 122.131 121.223 -0.262 0.000 2.410 349 L HA 0.500 4.837 4.340 -0.004 0.000 0.273 349 L C 0.910 177.873 176.870 0.155 0.000 1.152 349 L CA -0.392 54.573 54.840 0.209 0.000 0.855 349 L CB 0.450 42.747 42.059 0.396 0.000 1.129 349 L HN 0.465 nan 8.230 nan 0.000 0.463 350 L N 7.257 128.600 121.223 0.199 0.000 2.454 350 L HA 0.223 4.560 4.340 -0.004 0.000 0.284 350 L C -0.222 176.722 176.870 0.122 0.000 1.139 350 L CA -0.197 54.713 54.840 0.117 0.000 0.911 350 L CB -0.125 41.988 42.059 0.090 0.000 1.262 350 L HN 0.527 nan 8.230 nan 0.000 0.453 351 V N 0.889 120.867 119.914 0.107 0.000 2.823 351 V HA 0.466 4.584 4.120 -0.004 0.000 0.312 351 V C 0.077 176.200 176.094 0.048 0.000 1.072 351 V CA -1.425 60.945 62.300 0.116 0.000 0.937 351 V CB 1.985 33.923 31.823 0.193 0.000 1.013 351 V HN 0.577 nan 8.190 nan 0.000 0.430 352 K N 2.567 122.986 120.400 0.032 0.000 2.491 352 K HA 0.390 4.707 4.320 -0.004 0.000 0.279 352 K C 1.187 177.799 176.600 0.019 0.000 1.026 352 K CA 1.039 57.332 56.287 0.009 0.000 1.070 352 K CB 0.199 32.706 32.500 0.011 0.000 0.887 352 K HN 1.686 nan 8.250 nan 0.000 0.481 353 G N 2.213 111.013 108.800 0.001 0.000 2.143 353 G HA2 -0.335 3.622 3.960 -0.004 0.000 0.249 353 G HA3 -0.335 3.622 3.960 -0.004 0.000 0.249 353 G C 0.091 174.991 174.900 0.001 0.000 0.981 353 G CA 0.524 45.625 45.100 0.000 0.000 0.665 353 G HN 0.741 nan 8.290 nan 0.000 0.528 354 R N -0.647 119.853 120.500 0.000 0.000 2.707 354 R HA 0.714 5.051 4.340 -0.004 0.000 0.270 354 R C 1.463 177.743 176.300 -0.034 0.000 1.083 354 R CA 0.175 56.273 56.100 -0.004 0.000 1.182 354 R CB 0.610 30.913 30.300 0.005 0.000 1.084 354 R HN 0.001 nan 8.270 nan 0.000 0.528 355 K N 1.774 122.149 120.400 -0.042 0.000 2.026 355 K HA 0.009 4.326 4.320 -0.004 0.000 0.208 355 K C 0.403 176.923 176.600 -0.132 0.000 1.048 355 K CA 1.665 57.910 56.287 -0.070 0.000 0.929 355 K CB -0.478 31.986 32.500 -0.059 0.000 0.713 355 K HN 0.732 nan 8.250 nan 0.000 0.439 356 A N 1.340 124.049 122.820 -0.185 0.000 2.483 356 A HA 0.126 4.443 4.320 -0.004 0.000 0.238 356 A C -0.300 177.150 177.584 -0.222 0.000 1.070 356 A CA -0.179 51.652 52.037 -0.344 0.000 0.770 356 A CB 0.056 18.781 19.000 -0.459 0.000 1.008 356 A HN 0.188 nan 8.150 nan 0.000 0.497 357 K N 0.457 120.712 120.400 -0.242 0.000 2.469 357 K HA 0.311 4.628 4.320 -0.004 0.000 0.274 357 K C -0.373 176.174 176.600 -0.089 0.000 0.983 357 K CA 0.574 56.778 56.287 -0.139 0.000 0.974 357 K CB 0.176 32.600 32.500 -0.126 0.000 0.913 357 K HN 0.455 nan 8.250 nan 0.000 0.493 358 I N 3.532 124.064 120.570 -0.063 0.000 2.497 358 I HA 0.111 4.279 4.170 -0.004 0.000 0.284 358 I C -0.412 175.681 176.117 -0.040 0.000 1.060 358 I CA -1.244 60.030 61.300 -0.044 0.000 1.071 358 I CB 1.249 39.222 38.000 -0.045 0.000 1.216 358 I HN 0.694 nan 8.210 nan 0.000 0.442 359 D N 3.775 124.160 120.400 -0.026 0.000 2.478 359 D HA 0.188 4.825 4.640 -0.004 0.000 0.269 359 D C 1.183 177.467 176.300 -0.027 0.000 1.232 359 D CA -0.366 53.626 54.000 -0.014 0.000 1.059 359 D CB 0.507 41.321 40.800 0.023 0.000 1.104 359 D HN 0.394 nan 8.370 nan 0.000 0.566 360 S N -1.374 114.292 115.700 -0.058 0.000 2.419 360 S HA -0.219 4.248 4.470 -0.004 0.000 0.233 360 S C 1.903 176.401 174.600 -0.170 0.000 1.016 360 S CA 0.674 58.782 58.200 -0.153 0.000 0.974 360 S CB -0.989 62.060 63.200 -0.251 0.000 0.786 360 S HN 0.545 nan 8.310 nan 0.000 0.492 361 Y N 2.064 122.285 120.300 -0.133 0.000 2.263 361 Y HA 0.076 4.623 4.550 -0.005 0.000 0.292 361 Y C 2.875 178.761 175.900 -0.024 0.000 1.130 361 Y CA 1.164 59.197 58.100 -0.112 0.000 1.179 361 Y CB -0.403 37.894 38.460 -0.271 0.000 0.998 361 Y HN 0.352 nan 8.280 nan 0.000 0.532 362 Q N -0.253 119.616 119.800 0.114 0.000 2.331 362 Q HA -0.129 4.208 4.340 -0.004 0.000 0.203 362 Q C 2.067 178.079 176.000 0.020 0.000 0.944 362 Q CA 0.566 56.439 55.803 0.118 0.000 0.892 362 Q CB -0.019 28.745 28.738 0.044 0.000 0.983 362 Q HN 0.456 nan 8.270 nan 0.000 0.482 363 E N 1.452 121.613 120.200 -0.065 0.000 2.065 363 E HA -0.210 4.137 4.350 -0.004 0.000 0.201 363 E C -0.852 175.602 176.600 -0.244 0.000 1.016 363 E CA 1.558 57.876 56.400 -0.136 0.000 0.818 363 E CB -0.726 28.896 29.700 -0.130 0.000 0.749 363 E HN 0.238 nan 8.360 nan 0.000 0.453 364 P HA -0.125 nan 4.420 nan 0.000 0.223 364 P C 0.331 177.144 177.300 -0.812 0.000 1.144 364 P CA 1.229 63.951 63.100 -0.630 0.000 0.783 364 P CB -0.199 30.983 31.700 -0.864 0.000 0.771 365 F N -2.776 117.056 119.950 -0.197 0.000 2.654 365 F HA 0.219 4.743 4.527 -0.005 0.000 0.303 365 F C 0.507 175.836 175.800 -0.786 0.000 1.099 365 F CA -0.162 57.617 58.000 -0.368 0.000 1.270 365 F CB -0.146 38.770 39.000 -0.140 0.000 1.024 365 F HN -0.375 nan 8.300 nan 0.000 0.548 366 T N 1.689 115.910 114.554 -0.555 0.000 2.801 366 T HA 0.290 4.637 4.350 -0.004 0.000 0.306 366 T C -0.252 174.131 174.700 -0.529 0.000 1.020 366 T CA -0.343 61.484 62.100 -0.455 0.000 0.948 366 T CB 0.172 68.930 68.868 -0.184 0.000 0.962 366 T HN 0.087 nan 8.240 nan 0.000 0.465 367 H N 0.763 119.684 119.070 -0.250 0.000 2.615 367 H HA 0.447 5.000 4.556 -0.005 0.000 0.346 367 H C 0.407 175.712 175.328 -0.039 0.000 1.200 367 H CA -1.059 54.832 56.048 -0.262 0.000 1.264 367 H CB 0.823 30.189 29.762 -0.661 0.000 1.699 367 H HN 0.392 nan 8.280 nan 0.000 0.567 368 S N 0.523 116.316 115.700 0.156 0.000 2.546 368 S HA 0.192 4.659 4.470 -0.004 0.000 0.290 368 S C 0.578 175.337 174.600 0.264 0.000 1.290 368 S CA -0.387 57.908 58.200 0.158 0.000 1.069 368 S CB 0.168 63.442 63.200 0.124 0.000 0.846 368 S HN 0.737 nan 8.310 nan 0.000 0.495 369 A N 5.310 128.257 122.820 0.212 0.000 2.561 369 A HA 0.317 4.634 4.320 -0.004 0.000 0.234 369 A C -1.789 175.924 177.584 0.215 0.000 1.055 369 A CA -0.700 51.475 52.037 0.231 0.000 0.756 369 A CB -0.661 18.425 19.000 0.144 0.000 0.986 369 A HN 0.547 nan 8.150 nan 0.000 0.505 370 P HA 0.276 nan 4.420 nan 0.000 0.277 370 P C 0.550 177.882 177.300 0.054 0.000 1.276 370 P CA -0.453 62.701 63.100 0.090 0.000 0.788 370 P CB 0.402 32.070 31.700 -0.052 0.000 1.114 371 E N -0.474 119.739 120.200 0.022 0.000 2.068 371 E HA -0.159 4.189 4.350 -0.004 0.000 0.207 371 E C 0.571 177.181 176.600 0.016 0.000 1.032 371 E CA 1.870 58.279 56.400 0.015 0.000 0.839 371 E CB -0.679 29.019 29.700 -0.004 0.000 0.758 371 E HN 0.544 nan 8.360 nan 0.000 0.457 372 S N -0.655 115.047 115.700 0.003 0.000 2.566 372 S HA 0.614 5.082 4.470 -0.004 0.000 0.298 372 S C -0.208 174.405 174.600 0.021 0.000 1.083 372 S CA -1.007 57.200 58.200 0.011 0.000 0.978 372 S CB 1.486 64.685 63.200 -0.002 0.000 1.073 372 S HN 0.102 nan 8.310 nan 0.000 0.491 373 I N 3.122 123.717 120.570 0.042 0.000 2.331 373 I HA 0.355 4.522 4.170 -0.004 0.000 0.292 373 I C -1.957 174.207 176.117 0.079 0.000 0.998 373 I CA -2.165 59.177 61.300 0.071 0.000 1.267 373 I CB 1.355 39.404 38.000 0.082 0.000 1.386 373 I HN 0.531 nan 8.210 nan 0.000 0.476 374 P HA 0.160 nan 4.420 nan 0.000 0.275 374 P C -0.586 176.849 177.300 0.225 0.000 1.228 374 P CA -0.201 62.975 63.100 0.126 0.000 0.786 374 P CB 1.825 33.582 31.700 0.095 0.000 0.927 375 D N 0.152 120.659 120.400 0.178 0.000 2.259 375 D HA -0.003 4.635 4.640 -0.004 0.000 0.216 375 D C 0.942 177.438 176.300 0.327 0.000 0.961 375 D CA 1.357 55.482 54.000 0.209 0.000 0.878 375 D CB 0.286 41.160 40.800 0.124 0.000 1.009 375 D HN 0.528 nan 8.370 nan 0.000 0.490 376 T N -2.650 112.030 114.554 0.210 0.000 2.949 376 T HA 0.245 4.593 4.350 -0.004 0.000 0.287 376 T C 0.793 175.396 174.700 -0.162 0.000 1.034 376 T CA -0.801 61.399 62.100 0.167 0.000 1.018 376 T CB 1.399 70.322 68.868 0.092 0.000 1.135 376 T HN -0.164 nan 8.240 nan 0.000 0.532 377 F N 0.632 120.300 119.950 -0.470 0.000 2.216 377 F HA 0.034 4.559 4.527 -0.004 0.000 0.300 377 F C 2.413 177.984 175.800 -0.382 0.000 1.085 377 F CA 1.744 59.292 58.000 -0.753 0.000 1.326 377 F CB -0.259 38.508 39.000 -0.387 0.000 1.027 377 F HN 0.919 nan 8.300 nan 0.000 0.497 378 E N 0.036 120.147 120.200 -0.149 0.000 2.058 378 E HA -0.253 4.095 4.350 -0.004 0.000 0.194 378 E C 1.772 178.234 176.600 -0.230 0.000 0.997 378 E CA 1.814 58.117 56.400 -0.161 0.000 0.801 378 E CB -0.216 29.452 29.700 -0.053 0.000 0.746 378 E HN 0.347 nan 8.360 nan 0.000 0.450 379 D N 0.299 120.592 120.400 -0.179 0.000 2.144 379 D HA -0.158 4.480 4.640 -0.004 0.000 0.199 379 D C 1.838 177.999 176.300 -0.232 0.000 0.984 379 D CA 1.337 55.248 54.000 -0.149 0.000 0.834 379 D CB -0.372 40.393 40.800 -0.057 0.000 0.955 379 D HN 0.333 nan 8.370 nan 0.000 0.465 380 A N 0.680 123.277 122.820 -0.371 0.000 1.902 380 A HA -0.139 4.179 4.320 -0.004 0.000 0.217 380 A C 2.559 179.844 177.584 -0.499 0.000 1.181 380 A CA 1.188 52.960 52.037 -0.442 0.000 0.623 380 A CB -0.744 17.846 19.000 -0.683 0.000 0.818 380 A HN 0.146 nan 8.150 nan 0.000 0.443 381 V N 1.029 120.583 119.914 -0.600 0.000 2.295 381 V HA -0.258 3.859 4.120 -0.004 0.000 0.246 381 V C 2.282 178.188 176.094 -0.314 0.000 1.049 381 V CA 2.151 64.160 62.300 -0.484 0.000 1.024 381 V CB -0.870 30.677 31.823 -0.459 0.000 0.648 381 V HN 0.572 nan 8.190 nan 0.000 0.447 382 N N -0.118 118.428 118.700 -0.256 0.000 2.244 382 N HA -0.031 4.706 4.740 -0.004 0.000 0.183 382 N C 1.744 177.149 175.510 -0.175 0.000 1.016 382 N CA 1.430 54.370 53.050 -0.183 0.000 0.866 382 N CB -0.105 38.297 38.487 -0.141 0.000 0.980 382 N HN 0.451 nan 8.380 nan 0.000 0.430 383 I N 0.028 120.478 120.570 -0.200 0.000 2.400 383 I HA -0.130 4.037 4.170 -0.004 0.000 0.248 383 I C 1.349 177.317 176.117 -0.248 0.000 1.109 383 I CA 0.557 61.744 61.300 -0.189 0.000 1.425 383 I CB 0.119 38.017 38.000 -0.170 0.000 1.094 383 I HN -0.009 nan 8.210 nan 0.000 0.425 384 L N 0.308 121.332 121.223 -0.332 0.000 2.307 384 L HA 0.076 4.414 4.340 -0.004 0.000 0.211 384 L C 0.836 177.534 176.870 -0.286 0.000 1.099 384 L CA 0.730 55.320 54.840 -0.418 0.000 0.816 384 L CB -0.824 40.872 42.059 -0.605 0.000 0.952 384 L HN 0.155 nan 8.230 nan 0.000 0.455 385 K N 0.059 120.315 120.400 -0.240 0.000 3.257 385 K HA -0.150 4.167 4.320 -0.004 0.000 0.270 385 K C -2.191 174.316 176.600 -0.155 0.000 0.984 385 K CA 0.036 56.216 56.287 -0.179 0.000 0.739 385 K CB -1.370 31.047 32.500 -0.138 0.000 1.351 385 K HN 0.297 nan 8.250 nan 0.000 0.463 386 P HA -0.003 nan 4.420 nan 0.000 0.272 386 P C 0.399 177.649 177.300 -0.084 0.000 1.240 386 P CA -0.037 63.000 63.100 -0.105 0.000 0.791 386 P CB 1.269 32.896 31.700 -0.121 0.000 0.978 387 S N -1.100 114.585 115.700 -0.024 0.000 2.502 387 S HA 0.141 4.609 4.470 -0.004 0.000 0.215 387 S C 0.585 175.206 174.600 0.034 0.000 1.009 387 S CA 0.118 58.303 58.200 -0.026 0.000 0.908 387 S CB -0.237 62.896 63.200 -0.111 0.000 0.801 387 S HN 0.486 nan 8.310 nan 0.000 0.505 388 T N 2.171 116.736 114.554 0.020 0.000 2.881 388 T HA 0.661 5.008 4.350 -0.004 0.000 0.290 388 T C -1.653 172.961 174.700 -0.144 0.000 1.000 388 T CA -0.313 61.732 62.100 -0.092 0.000 0.978 388 T CB 1.800 70.542 68.868 -0.209 0.000 0.997 388 T HN 0.150 nan 8.240 nan 0.000 0.443 389 I N 3.545 124.026 120.570 -0.148 0.000 2.418 389 I HA 0.544 4.711 4.170 -0.004 0.000 0.287 389 I C -1.156 175.002 176.117 0.067 0.000 1.008 389 I CA -0.827 60.442 61.300 -0.053 0.000 1.104 389 I CB 1.170 39.066 38.000 -0.173 0.000 1.264 389 I HN 0.601 nan 8.210 nan 0.000 0.438 390 I N 7.020 127.650 120.570 0.100 0.000 2.382 390 I HA 0.433 4.600 4.170 -0.004 0.000 0.285 390 I C 0.531 176.850 176.117 0.338 0.000 1.007 390 I CA -0.566 60.837 61.300 0.170 0.000 1.142 390 I CB 1.584 39.473 38.000 -0.185 0.000 1.289 390 I HN 0.669 nan 8.210 nan 0.000 0.453 391 G N 4.825 113.771 108.800 0.242 0.000 2.338 391 G HA2 0.429 4.387 3.960 -0.004 0.000 0.295 391 G HA3 0.429 4.387 3.960 -0.004 0.000 0.295 391 G C -0.335 174.516 174.900 -0.082 0.000 1.132 391 G CA -0.132 44.805 45.100 -0.271 0.000 0.922 391 G HN 0.439 nan 8.290 nan 0.000 0.427 392 V N 2.414 122.316 119.914 -0.021 0.000 3.214 392 V HA 0.480 4.598 4.120 -0.004 0.000 0.433 392 V C 0.760 176.857 176.094 0.005 0.000 1.469 392 V CA 0.368 62.687 62.300 0.031 0.000 1.825 392 V CB 0.376 32.286 31.823 0.145 0.000 1.245 392 V HN 0.919 nan 8.190 nan 0.000 0.637 393 A N 0.615 123.399 122.820 -0.060 0.000 2.343 393 A HA 0.576 4.893 4.320 -0.004 0.000 0.223 393 A C 1.795 179.349 177.584 -0.051 0.000 1.214 393 A CA 0.618 52.626 52.037 -0.048 0.000 0.900 393 A CB 0.043 19.000 19.000 -0.072 0.000 0.942 393 A HN 1.775 nan 8.150 nan 0.000 0.507 394 G N -0.789 107.975 108.800 -0.060 0.000 2.379 394 G HA2 -0.038 3.920 3.960 -0.004 0.000 0.297 394 G HA3 -0.038 3.920 3.960 -0.004 0.000 0.297 394 G C 0.675 175.544 174.900 -0.051 0.000 1.004 394 G CA 0.563 45.633 45.100 -0.050 0.000 0.921 394 G HN 1.589 nan 8.290 nan 0.000 0.511 395 A N -0.870 121.911 122.820 -0.065 0.000 2.589 395 A HA 0.760 5.077 4.320 -0.004 0.000 0.283 395 A C 1.620 179.175 177.584 -0.049 0.000 1.187 395 A CA 1.219 53.224 52.037 -0.053 0.000 0.957 395 A CB 0.093 19.062 19.000 -0.052 0.000 1.175 395 A HN 2.538 nan 8.150 nan 0.000 0.532 396 G N -0.101 108.667 108.800 -0.054 0.000 2.582 396 G HA2 -0.118 3.839 3.960 -0.004 0.000 0.222 396 G HA3 -0.118 3.839 3.960 -0.004 0.000 0.222 396 G C -0.421 174.448 174.900 -0.051 0.000 1.311 396 G CA -0.893 44.186 45.100 -0.036 0.000 0.915 396 G HN 0.270 nan 8.290 nan 0.000 0.528 397 R N 0.599 121.090 120.500 -0.016 0.000 4.510 397 R HA 0.121 4.458 4.340 -0.004 0.000 0.170 397 R C 1.471 177.776 176.300 0.009 0.000 1.906 397 R CA -0.249 55.851 56.100 -0.001 0.000 1.492 397 R CB -0.811 29.505 30.300 0.027 0.000 1.383 397 R HN 0.338 nan 8.270 nan 0.000 0.823 398 L N -0.124 121.069 121.223 -0.051 0.000 2.376 398 L HA 0.054 4.392 4.340 -0.004 0.000 0.219 398 L C 0.893 177.874 176.870 0.186 0.000 1.133 398 L CA 0.917 55.754 54.840 -0.004 0.000 0.816 398 L CB -0.434 41.554 42.059 -0.117 0.000 0.933 398 L HN 0.282 nan 8.230 nan 0.000 0.449 399 F N 1.126 121.056 119.950 -0.033 0.000 2.499 399 F HA 0.118 4.642 4.527 -0.004 0.000 0.353 399 F C 1.145 176.953 175.800 0.013 0.000 1.196 399 F CA -0.971 57.036 58.000 0.011 0.000 1.244 399 F CB 0.077 39.092 39.000 0.025 0.000 1.577 399 F HN 0.023 nan 8.300 nan 0.000 0.614 400 T N -0.501 114.171 114.554 0.197 0.000 2.802 400 T HA 0.085 4.432 4.350 -0.004 0.000 0.305 400 T C -1.747 172.985 174.700 0.053 0.000 1.053 400 T CA -1.508 60.651 62.100 0.098 0.000 1.058 400 T CB 1.309 70.223 68.868 0.077 0.000 0.988 400 T HN 0.132 nan 8.240 nan 0.000 0.539 401 P HA -0.101 nan 4.420 nan 0.000 0.216 401 P C 1.088 178.378 177.300 -0.017 0.000 1.150 401 P CA 1.094 64.188 63.100 -0.009 0.000 0.843 401 P CB -0.002 31.692 31.700 -0.011 0.000 0.787 402 D N -1.278 119.118 120.400 -0.007 0.000 2.144 402 D HA -0.090 4.548 4.640 -0.004 0.000 0.200 402 D C 2.019 178.298 176.300 -0.035 0.000 0.978 402 D CA 0.873 54.861 54.000 -0.020 0.000 0.833 402 D CB -0.735 40.058 40.800 -0.011 0.000 0.961 402 D HN -0.015 nan 8.370 nan 0.000 0.470 403 V N 1.279 121.184 119.914 -0.015 0.000 2.295 403 V HA -0.211 3.906 4.120 -0.004 0.000 0.246 403 V C 2.516 178.549 176.094 -0.102 0.000 1.049 403 V CA 1.131 63.406 62.300 -0.042 0.000 1.024 403 V CB -0.311 31.541 31.823 0.048 0.000 0.648 403 V HN 0.190 nan 8.190 nan 0.000 0.447 404 I N -0.595 119.925 120.570 -0.083 0.000 2.286 404 I HA -0.234 3.933 4.170 -0.004 0.000 0.248 404 I C 2.740 178.799 176.117 -0.096 0.000 1.115 404 I CA 1.490 62.726 61.300 -0.107 0.000 1.392 404 I CB -0.457 37.490 38.000 -0.088 0.000 1.065 404 I HN 0.230 nan 8.210 nan 0.000 0.418 405 R N 0.798 121.253 120.500 -0.075 0.000 2.081 405 R HA -0.119 4.218 4.340 -0.004 0.000 0.235 405 R C 2.488 178.742 176.300 -0.077 0.000 1.131 405 R CA 1.442 57.502 56.100 -0.068 0.000 0.960 405 R CB -0.456 29.813 30.300 -0.052 0.000 0.856 405 R HN 0.358 nan 8.270 nan 0.000 0.436 406 A N 1.087 123.853 122.820 -0.089 0.000 1.902 406 A HA -0.153 4.165 4.320 -0.004 0.000 0.217 406 A C 2.136 179.651 177.584 -0.116 0.000 1.181 406 A CA 1.272 53.247 52.037 -0.104 0.000 0.623 406 A CB -0.301 18.624 19.000 -0.125 0.000 0.818 406 A HN 0.125 nan 8.150 nan 0.000 0.443 407 M N -0.646 118.876 119.600 -0.130 0.000 2.296 407 M HA -0.073 4.404 4.480 -0.004 0.000 0.265 407 M C 2.358 178.600 176.300 -0.097 0.000 1.064 407 M CA 1.450 56.672 55.300 -0.129 0.000 1.109 407 M CB -1.150 31.360 32.600 -0.151 0.000 1.396 407 M HN 0.511 nan 8.290 nan 0.000 0.430 408 A N -0.100 122.669 122.820 -0.086 0.000 2.016 408 A HA -0.045 4.272 4.320 -0.004 0.000 0.217 408 A C 2.307 179.856 177.584 -0.058 0.000 1.162 408 A CA 1.623 53.620 52.037 -0.067 0.000 0.662 408 A CB -0.472 18.490 19.000 -0.063 0.000 0.812 408 A HN 0.568 nan 8.150 nan 0.000 0.450 409 S N -0.528 115.134 115.700 -0.064 0.000 2.458 409 S HA 0.107 4.574 4.470 -0.004 0.000 0.223 409 S C 1.727 176.291 174.600 -0.061 0.000 1.019 409 S CA 0.820 58.987 58.200 -0.056 0.000 0.937 409 S CB -0.474 62.693 63.200 -0.055 0.000 0.788 409 S HN 0.427 nan 8.310 nan 0.000 0.511 410 I N 1.689 122.214 120.570 -0.074 0.000 2.584 410 I HA 0.097 4.265 4.170 -0.004 0.000 0.255 410 I C 0.205 176.278 176.117 -0.074 0.000 1.145 410 I CA 0.413 61.665 61.300 -0.080 0.000 1.462 410 I CB -0.107 37.833 38.000 -0.101 0.000 1.102 410 I HN 0.297 nan 8.210 nan 0.000 0.433 411 N N 0.334 118.992 118.700 -0.070 0.000 2.240 411 N HA 0.105 4.842 4.740 -0.004 0.000 0.302 411 N C 0.433 175.914 175.510 -0.048 0.000 1.106 411 N CA -0.294 52.717 53.050 -0.064 0.000 0.778 411 N CB 2.324 40.770 38.487 -0.069 0.000 1.431 411 N HN -0.121 nan 8.380 nan 0.000 0.479 412 E N 1.003 121.179 120.200 -0.040 0.000 2.046 412 E HA -0.006 4.341 4.350 -0.004 0.000 0.190 412 E C -0.254 176.338 176.600 -0.013 0.000 0.982 412 E CA 1.531 57.917 56.400 -0.024 0.000 0.800 412 E CB 0.379 30.067 29.700 -0.019 0.000 0.756 412 E HN 0.305 nan 8.360 nan 0.000 0.449 413 R N 1.292 121.784 120.500 -0.013 0.000 2.564 413 R HA 0.320 4.657 4.340 -0.004 0.000 0.282 413 R C -2.469 173.833 176.300 0.004 0.000 1.573 413 R CA -2.108 53.997 56.100 0.009 0.000 1.588 413 R CB 0.793 31.109 30.300 0.027 0.000 1.154 413 R HN 0.232 nan 8.270 nan 0.000 0.606 414 P HA 0.087 nan 4.420 nan 0.000 0.271 414 P C -0.064 177.242 177.300 0.009 0.000 1.216 414 P CA -0.190 62.898 63.100 -0.020 0.000 0.776 414 P CB 1.293 32.962 31.700 -0.052 0.000 0.881 415 V N 5.163 125.076 119.914 -0.003 0.000 2.383 415 V HA 0.329 4.447 4.120 -0.004 0.000 0.275 415 V C 0.591 176.664 176.094 -0.035 0.000 1.036 415 V CA -0.296 61.992 62.300 -0.021 0.000 0.889 415 V CB 0.599 32.340 31.823 -0.137 0.000 0.985 415 V HN 0.386 nan 8.190 nan 0.000 0.459 416 I N 5.629 126.279 120.570 0.132 0.000 2.439 416 I HA 0.450 4.618 4.170 -0.004 0.000 0.283 416 I C -1.209 175.225 176.117 0.529 0.000 1.023 416 I CA -0.240 61.207 61.300 0.245 0.000 1.100 416 I CB 1.638 39.782 38.000 0.239 0.000 1.238 416 I HN 0.349 nan 8.210 nan 0.000 0.445 417 F N 4.651 124.688 119.950 0.145 0.000 2.426 417 F HA 0.575 5.099 4.527 -0.004 0.000 0.348 417 F C 0.463 176.342 175.800 0.131 0.000 1.124 417 F CA -1.549 56.458 58.000 0.011 0.000 1.008 417 F CB 1.982 40.993 39.000 0.018 0.000 1.139 417 F HN 0.425 nan 8.300 nan 0.000 0.452 418 A N 5.754 128.644 122.820 0.117 0.000 2.801 418 A HA 0.528 4.845 4.320 -0.004 0.000 0.344 418 A C 0.448 178.035 177.584 0.005 0.000 1.322 418 A CA -0.298 51.787 52.037 0.079 0.000 0.913 418 A CB -0.365 18.799 19.000 0.273 0.000 1.140 418 A HN 0.819 nan 8.150 nan 0.000 0.487 419 L N 0.515 121.738 121.223 -0.001 0.000 2.558 419 L HA 0.068 4.406 4.340 -0.004 0.000 0.225 419 L C 0.863 177.728 176.870 -0.009 0.000 1.128 419 L CA 0.128 54.965 54.840 -0.006 0.000 0.868 419 L CB -0.160 41.927 42.059 0.047 0.000 1.006 419 L HN 0.473 nan 8.230 nan 0.000 0.454 420 S N 1.116 116.799 115.700 -0.028 0.000 2.549 420 S HA 0.179 4.646 4.470 -0.004 0.000 0.283 420 S C 0.149 174.729 174.600 -0.033 0.000 1.320 420 S CA -0.298 57.882 58.200 -0.035 0.000 1.058 420 S CB 0.340 63.504 63.200 -0.061 0.000 0.882 420 S HN 0.265 nan 8.310 nan 0.000 0.498 421 N N 3.259 121.931 118.700 -0.048 0.000 2.362 421 N HA 0.526 5.264 4.740 -0.004 0.000 0.299 421 N C -2.625 172.841 175.510 -0.073 0.000 1.170 421 N CA -1.528 51.477 53.050 -0.075 0.000 0.825 421 N CB 1.520 39.940 38.487 -0.112 0.000 1.299 421 N HN 0.292 nan 8.380 nan 0.000 0.502 422 P HA 0.160 nan 4.420 nan 0.000 0.302 422 P C 0.512 177.767 177.300 -0.075 0.000 1.307 422 P CA -0.041 62.998 63.100 -0.102 0.000 0.754 422 P CB 0.386 32.024 31.700 -0.104 0.000 1.298 423 T N 0.075 114.569 114.554 -0.100 0.000 2.649 423 T HA -0.252 4.095 4.350 -0.004 0.000 0.268 423 T C 1.894 176.606 174.700 0.021 0.000 1.036 423 T CA 2.575 64.628 62.100 -0.079 0.000 1.157 423 T CB -1.274 67.508 68.868 -0.143 0.000 0.861 423 T HN 0.547 nan 8.240 nan 0.000 0.445 424 A N 0.891 123.713 122.820 0.004 0.000 2.121 424 A HA -0.077 4.241 4.320 -0.004 0.000 0.218 424 A C 2.254 179.847 177.584 0.015 0.000 1.154 424 A CA 0.949 52.999 52.037 0.022 0.000 0.679 424 A CB -0.276 18.727 19.000 0.005 0.000 0.795 424 A HN 0.363 nan 8.150 nan 0.000 0.458 425 Q N -0.494 119.305 119.800 -0.002 0.000 2.392 425 Q HA 0.301 4.638 4.340 -0.004 0.000 0.203 425 Q C 0.857 176.847 176.000 -0.017 0.000 0.917 425 Q CA 0.603 56.396 55.803 -0.017 0.000 0.939 425 Q CB -0.498 28.220 28.738 -0.033 0.000 1.063 425 Q HN 0.586 nan 8.270 nan 0.000 0.516 426 A N 1.334 124.172 122.820 0.029 0.000 2.531 426 A HA -0.001 4.316 4.320 -0.004 0.000 0.236 426 A C 0.838 178.423 177.584 0.002 0.000 1.062 426 A CA -0.012 52.060 52.037 0.060 0.000 0.760 426 A CB 0.362 19.501 19.000 0.232 0.000 0.995 426 A HN 0.058 nan 8.150 nan 0.000 0.501 427 E N -0.099 120.031 120.200 -0.117 0.000 2.204 427 E HA -0.022 4.326 4.350 -0.004 0.000 0.195 427 E C 0.636 177.224 176.600 -0.020 0.000 0.990 427 E CA 1.619 57.854 56.400 -0.275 0.000 0.821 427 E CB -0.408 28.693 29.700 -0.998 0.000 0.750 427 E HN 0.961 nan 8.360 nan 0.000 0.477 428 C N -3.244 116.114 119.300 0.097 0.000 3.253 428 C HA 0.592 5.049 4.460 -0.004 0.000 0.342 428 C C 0.046 175.020 174.990 -0.027 0.000 1.306 428 C CA -0.701 58.364 59.018 0.078 0.000 1.207 428 C CB 0.871 28.689 27.740 0.130 0.000 1.479 428 C HN 0.250 nan 8.230 nan 0.000 0.469 429 T N -0.424 113.953 114.554 -0.295 0.000 2.881 429 T HA 0.654 5.001 4.350 -0.004 0.000 0.278 429 T C 1.217 175.245 174.700 -1.120 0.000 0.982 429 T CA 0.235 61.799 62.100 -0.892 0.000 0.989 429 T CB 1.336 69.817 68.868 -0.646 0.000 1.058 429 T HN 2.153 nan 8.240 nan 0.000 0.529 430 A N 0.189 122.151 122.820 -1.429 0.000 1.898 430 A HA -0.021 4.296 4.320 -0.004 0.000 0.216 430 A C 2.340 179.552 177.584 -0.620 0.000 1.181 430 A CA 1.068 52.434 52.037 -1.119 0.000 0.620 430 A CB -0.950 17.877 19.000 -0.288 0.000 0.819 430 A HN 0.918 nan 8.150 nan 0.000 0.442 431 E N 0.149 120.118 120.200 -0.385 0.000 2.049 431 E HA -0.234 4.114 4.350 -0.004 0.000 0.198 431 E C 1.974 178.447 176.600 -0.212 0.000 1.007 431 E CA 1.765 58.063 56.400 -0.170 0.000 0.809 431 E CB -0.299 29.332 29.700 -0.114 0.000 0.749 431 E HN 0.772 nan 8.360 nan 0.000 0.450 432 E N 0.278 120.304 120.200 -0.290 0.000 2.051 432 E HA -0.179 4.168 4.350 -0.004 0.000 0.192 432 E C 2.045 178.470 176.600 -0.291 0.000 0.991 432 E CA 1.095 57.355 56.400 -0.234 0.000 0.799 432 E CB -0.149 29.431 29.700 -0.199 0.000 0.748 432 E HN 0.226 nan 8.360 nan 0.000 0.449 433 A N 0.643 123.157 122.820 -0.510 0.000 1.858 433 A HA -0.201 4.116 4.320 -0.004 0.000 0.216 433 A C 1.965 179.259 177.584 -0.483 0.000 1.190 433 A CA 1.412 53.111 52.037 -0.564 0.000 0.617 433 A CB -0.989 17.411 19.000 -1.000 0.000 0.827 433 A HN 0.309 nan 8.150 nan 0.000 0.443 434 Y N 0.372 120.440 120.300 -0.386 0.000 2.163 434 Y HA -0.175 4.372 4.550 -0.005 0.000 0.288 434 Y C 3.053 178.789 175.900 -0.274 0.000 1.136 434 Y CA 1.565 59.427 58.100 -0.396 0.000 1.147 434 Y CB -0.568 37.629 38.460 -0.439 0.000 0.987 434 Y HN 0.292 nan 8.280 nan 0.000 0.509 435 T N 0.243 114.772 114.554 -0.041 0.000 2.737 435 T HA -0.151 4.196 4.350 -0.004 0.000 0.265 435 T C 1.696 176.365 174.700 -0.052 0.000 1.038 435 T CA 1.088 63.169 62.100 -0.031 0.000 1.144 435 T CB -0.472 68.380 68.868 -0.026 0.000 0.866 435 T HN 0.037 nan 8.240 nan 0.000 0.434 436 L N 1.693 122.866 121.223 -0.083 0.000 2.275 436 L HA 0.021 4.358 4.340 -0.004 0.000 0.215 436 L C 2.498 179.324 176.870 -0.073 0.000 1.119 436 L CA 1.521 56.316 54.840 -0.075 0.000 0.790 436 L CB -1.117 40.890 42.059 -0.086 0.000 0.919 436 L HN 0.481 nan 8.230 nan 0.000 0.443 437 T N -5.287 109.213 114.554 -0.090 0.000 3.134 437 T HA 0.166 4.513 4.350 -0.004 0.000 0.260 437 T C 0.607 175.274 174.700 -0.054 0.000 1.027 437 T CA -0.197 61.857 62.100 -0.077 0.000 0.913 437 T CB -0.242 68.569 68.868 -0.095 0.000 1.046 437 T HN 0.324 nan 8.240 nan 0.000 0.553 438 E N 0.583 120.757 120.200 -0.043 0.000 2.440 438 E HA -0.202 4.145 4.350 -0.004 0.000 0.246 438 E C 0.974 177.570 176.600 -0.007 0.000 1.165 438 E CA 0.420 56.813 56.400 -0.011 0.000 0.726 438 E CB -1.811 27.890 29.700 0.002 0.000 1.271 438 E HN 0.955 nan 8.360 nan 0.000 0.397 439 G N -0.280 108.458 108.800 -0.105 0.000 2.153 439 G HA2 -0.404 3.553 3.960 -0.004 0.000 0.252 439 G HA3 -0.404 3.553 3.960 -0.004 0.000 0.252 439 G C 0.684 175.515 174.900 -0.115 0.000 0.994 439 G CA 0.681 45.597 45.100 -0.305 0.000 0.698 439 G HN 0.414 nan 8.290 nan 0.000 0.521 440 R N -0.609 119.865 120.500 -0.043 0.000 2.290 440 R HA 0.202 4.539 4.340 -0.004 0.000 0.197 440 R C 2.002 178.316 176.300 0.023 0.000 0.913 440 R CA 0.684 56.794 56.100 0.017 0.000 1.040 440 R CB -0.035 30.271 30.300 0.010 0.000 0.992 440 R HN 0.784 nan 8.270 nan 0.000 0.500 441 C N 0.151 119.445 119.300 -0.010 0.000 2.604 441 C HA 0.483 4.940 4.460 -0.004 0.000 0.396 441 C C 0.458 175.520 174.990 0.120 0.000 1.282 441 C CA -1.195 57.834 59.018 0.017 0.000 2.292 441 C CB -0.015 27.686 27.740 -0.065 0.000 2.633 441 C HN 0.199 nan 8.230 nan 0.000 0.620 442 L N 3.018 124.337 121.223 0.159 0.000 2.277 442 L HA 0.482 4.819 4.340 -0.004 0.000 0.284 442 L C -0.344 176.717 176.870 0.319 0.000 1.028 442 L CA -0.039 54.951 54.840 0.250 0.000 0.835 442 L CB 0.519 42.699 42.059 0.201 0.000 1.215 442 L HN 0.782 nan 8.230 nan 0.000 0.425 443 F N 3.364 123.391 119.950 0.129 0.000 2.492 443 F HA 0.834 5.359 4.527 -0.004 0.000 0.327 443 F C -0.346 175.522 175.800 0.114 0.000 1.079 443 F CA -0.474 57.562 58.000 0.060 0.000 0.967 443 F CB 1.772 40.551 39.000 -0.368 0.000 1.169 443 F HN 0.438 nan 8.300 nan 0.000 0.472 444 A N 2.773 124.951 122.820 -1.070 0.000 2.574 444 A HA 0.726 5.043 4.320 -0.004 0.000 0.297 444 A C -1.413 175.448 177.584 -1.205 0.000 1.062 444 A CA -0.162 51.318 52.037 -0.929 0.000 0.686 444 A CB 1.302 19.747 19.000 -0.925 0.000 1.285 444 A HN 1.146 nan 8.150 nan 0.000 0.403 445 S N -0.122 115.229 115.700 -0.582 0.000 2.627 445 S HA 0.711 5.179 4.470 -0.004 0.000 0.283 445 S C 0.798 175.329 174.600 -0.115 0.000 1.127 445 S CA -0.037 58.021 58.200 -0.236 0.000 0.863 445 S CB 1.378 64.729 63.200 0.252 0.000 1.121 445 S HN 1.804 nan 8.310 nan 0.000 0.479 446 G N 0.605 109.373 108.800 -0.054 0.000 2.408 446 G HA2 0.208 4.165 3.960 -0.004 0.000 0.215 446 G HA3 0.208 4.165 3.960 -0.004 0.000 0.215 446 G C 0.320 175.189 174.900 -0.053 0.000 1.156 446 G CA 0.200 45.269 45.100 -0.050 0.000 0.793 446 G HN 0.694 nan 8.290 nan 0.000 0.535 447 S N 1.410 117.068 115.700 -0.071 0.000 2.565 447 S HA 0.517 4.984 4.470 -0.004 0.000 0.290 447 S C -2.526 171.923 174.600 -0.251 0.000 1.150 447 S CA -1.002 57.094 58.200 -0.173 0.000 1.058 447 S CB 2.337 65.397 63.200 -0.233 0.000 1.032 447 S HN 0.086 nan 8.310 nan 0.000 0.510 448 P HA 0.254 nan 4.420 nan 0.000 0.271 448 P C -1.254 175.816 177.300 -0.384 0.000 1.216 448 P CA 0.063 63.060 63.100 -0.171 0.000 0.771 448 P CB 0.149 31.811 31.700 -0.063 0.000 0.864 449 F N 0.787 120.824 119.950 0.146 0.000 2.565 449 F HA 0.489 5.013 4.527 -0.004 0.000 0.313 449 F C 1.198 177.089 175.800 0.151 0.000 1.091 449 F CA -0.644 57.448 58.000 0.153 0.000 0.915 449 F CB 2.109 41.231 39.000 0.204 0.000 1.208 449 F HN 0.310 nan 8.300 nan 0.000 0.453 450 G N 1.760 110.757 108.800 0.328 0.000 2.651 450 G HA2 0.484 4.442 3.960 -0.004 0.000 0.260 450 G HA3 0.484 4.442 3.960 -0.004 0.000 0.260 450 G C -2.776 172.261 174.900 0.227 0.000 1.216 450 G CA -1.304 43.929 45.100 0.222 0.000 0.913 450 G HN 0.297 nan 8.290 nan 0.000 0.535 451 P HA 0.256 nan 4.420 nan 0.000 0.269 451 P C -0.575 176.799 177.300 0.125 0.000 1.215 451 P CA -0.294 62.888 63.100 0.138 0.000 0.780 451 P CB 1.049 32.798 31.700 0.082 0.000 0.898 452 V N 2.807 122.787 119.914 0.111 0.000 2.448 452 V HA 0.358 4.476 4.120 -0.004 0.000 0.295 452 V C 0.102 176.252 176.094 0.094 0.000 1.025 452 V CA -0.492 61.875 62.300 0.112 0.000 0.859 452 V CB 1.487 33.411 31.823 0.170 0.000 0.988 452 V HN 0.419 nan 8.190 nan 0.000 0.431 453 K N 5.227 125.673 120.400 0.076 0.000 2.307 453 K HA 0.639 4.957 4.320 -0.004 0.000 0.263 453 K C -0.891 175.755 176.600 0.077 0.000 0.973 453 K CA -0.575 55.747 56.287 0.057 0.000 0.846 453 K CB 1.080 33.595 32.500 0.025 0.000 1.100 453 K HN 0.605 nan 8.250 nan 0.000 0.438 454 L N 2.485 123.773 121.223 0.107 0.000 2.454 454 L HA 0.187 4.524 4.340 -0.004 0.000 0.256 454 L C 2.029 178.934 176.870 0.059 0.000 1.136 454 L CA -0.428 54.471 54.840 0.099 0.000 0.804 454 L CB 1.101 43.253 42.059 0.155 0.000 1.181 454 L HN 0.859 nan 8.230 nan 0.000 0.469 455 T N -2.993 111.590 114.554 0.047 0.000 2.849 455 T HA -0.190 4.158 4.350 -0.004 0.000 0.270 455 T C 0.956 175.672 174.700 0.027 0.000 1.066 455 T CA 1.353 63.472 62.100 0.031 0.000 1.130 455 T CB -0.539 68.345 68.868 0.025 0.000 0.864 455 T HN 0.777 nan 8.240 nan 0.000 0.481 456 D N 0.600 121.022 120.400 0.036 0.000 2.336 456 D HA 0.302 4.939 4.640 -0.004 0.000 0.229 456 D C 1.650 177.957 176.300 0.012 0.000 1.061 456 D CA 0.480 54.496 54.000 0.027 0.000 0.875 456 D CB -0.693 40.129 40.800 0.037 0.000 0.904 456 D HN 0.571 nan 8.370 nan 0.000 0.525 457 G N 0.129 108.935 108.800 0.010 0.000 2.253 457 G HA2 -0.357 3.600 3.960 -0.004 0.000 0.251 457 G HA3 -0.357 3.600 3.960 -0.004 0.000 0.251 457 G C 0.397 175.270 174.900 -0.045 0.000 0.998 457 G CA -0.082 45.010 45.100 -0.013 0.000 0.621 457 G HN 0.468 nan 8.290 nan 0.000 0.524 458 R N 0.183 120.651 120.500 -0.053 0.000 2.570 458 R HA 0.443 4.780 4.340 -0.004 0.000 0.277 458 R C 0.061 176.214 176.300 -0.244 0.000 1.039 458 R CA 0.128 56.118 56.100 -0.184 0.000 1.065 458 R CB 1.070 31.258 30.300 -0.188 0.000 0.964 458 R HN 0.131 nan 8.270 nan 0.000 0.428 459 V N 4.934 124.619 119.914 -0.382 0.000 2.398 459 V HA 0.384 4.501 4.120 -0.004 0.000 0.286 459 V C -0.598 175.160 176.094 -0.559 0.000 1.026 459 V CA -0.537 61.583 62.300 -0.299 0.000 0.868 459 V CB 1.034 32.759 31.823 -0.164 0.000 0.982 459 V HN 0.498 nan 8.190 nan 0.000 0.443 460 F N 1.638 121.433 119.950 -0.258 0.000 2.482 460 F HA 0.535 5.060 4.527 -0.005 0.000 0.331 460 F C 0.626 176.282 175.800 -0.240 0.000 1.115 460 F CA -0.473 57.271 58.000 -0.427 0.000 0.955 460 F CB 2.196 40.483 39.000 -1.190 0.000 1.136 460 F HN 0.314 nan 8.300 nan 0.000 0.452 461 T N 5.261 119.858 114.554 0.072 0.000 2.874 461 T HA 0.297 4.644 4.350 -0.004 0.000 0.321 461 T C -2.586 172.295 174.700 0.301 0.000 1.075 461 T CA -1.414 60.784 62.100 0.164 0.000 0.966 461 T CB 0.706 69.642 68.868 0.114 0.000 1.001 461 T HN 0.215 nan 8.240 nan 0.000 0.476 462 P HA 0.268 nan 4.420 nan 0.000 0.271 462 P C 0.264 177.792 177.300 0.380 0.000 1.216 462 P CA -0.173 63.267 63.100 0.567 0.000 0.771 462 P CB 0.864 33.010 31.700 0.744 0.000 0.864 463 G N 2.226 111.218 108.800 0.320 0.000 2.476 463 G HA2 0.247 4.205 3.960 -0.004 0.000 0.286 463 G HA3 0.247 4.205 3.960 -0.004 0.000 0.286 463 G C -0.826 174.159 174.900 0.142 0.000 1.177 463 G CA -0.483 44.785 45.100 0.281 0.000 0.870 463 G HN 0.546 nan 8.290 nan 0.000 0.528 464 Q N 0.367 120.198 119.800 0.052 0.000 2.431 464 Q HA 0.388 4.725 4.340 -0.004 0.000 0.249 464 Q C 0.498 176.244 176.000 -0.423 0.000 1.025 464 Q CA -0.567 55.194 55.803 -0.069 0.000 0.835 464 Q CB 0.950 29.733 28.738 0.074 0.000 1.207 464 Q HN 0.594 nan 8.270 nan 0.000 0.490 465 G N 4.093 112.570 108.800 -0.539 0.000 3.213 465 G HA2 -0.013 3.945 3.960 -0.004 0.000 0.263 465 G HA3 -0.013 3.945 3.960 -0.004 0.000 0.263 465 G C -0.207 174.546 174.900 -0.245 0.000 0.829 465 G CA -0.193 44.495 45.100 -0.686 0.000 1.983 465 G HN 0.466 nan 8.290 nan 0.000 0.616 466 N N 0.957 119.595 118.700 -0.104 0.000 2.361 466 N HA 0.038 4.776 4.740 -0.004 0.000 0.302 466 N C 1.156 176.768 175.510 0.170 0.000 1.074 466 N CA -0.631 52.468 53.050 0.081 0.000 0.850 466 N CB 1.284 39.859 38.487 0.147 0.000 1.228 466 N HN 0.232 nan 8.380 nan 0.000 0.491 467 N N 1.866 120.714 118.700 0.247 0.000 2.588 467 N HA -0.154 4.583 4.740 -0.004 0.000 0.190 467 N C 1.435 177.082 175.510 0.228 0.000 1.094 467 N CA 0.567 53.808 53.050 0.318 0.000 0.921 467 N CB -0.253 38.497 38.487 0.438 0.000 0.959 467 N HN 0.281 nan 8.380 nan 0.000 0.448 468 V N -0.502 119.476 119.914 0.108 0.000 2.828 468 V HA -0.215 3.902 4.120 -0.004 0.000 0.260 468 V C 1.010 176.776 176.094 -0.546 0.000 1.101 468 V CA 1.406 63.423 62.300 -0.472 0.000 1.123 468 V CB -0.774 30.790 31.823 -0.432 0.000 0.704 468 V HN 0.356 nan 8.190 nan 0.000 0.493 469 Y N -1.147 119.010 120.300 -0.239 0.000 2.561 469 Y HA 0.075 4.622 4.550 -0.005 0.000 0.291 469 Y C 2.017 177.823 175.900 -0.157 0.000 1.141 469 Y CA 0.827 58.818 58.100 -0.182 0.000 1.303 469 Y CB 0.398 38.793 38.460 -0.108 0.000 1.015 469 Y HN 0.244 nan 8.280 nan 0.000 0.547 470 I N -1.810 118.758 120.570 -0.004 0.000 3.366 470 I HA -0.113 4.055 4.170 -0.004 0.000 0.267 470 I C 2.089 178.203 176.117 -0.005 0.000 1.149 470 I CA 0.609 61.932 61.300 0.038 0.000 1.436 470 I CB -1.347 36.765 38.000 0.187 0.000 1.379 470 I HN 0.163 nan 8.210 nan 0.000 0.460 471 F N 2.322 122.337 119.950 0.108 0.000 2.202 471 F HA 0.013 4.536 4.527 -0.006 0.000 0.301 471 F C -0.791 174.937 175.800 -0.119 0.000 1.082 471 F CA 0.829 58.891 58.000 0.102 0.000 1.313 471 F CB -2.768 36.438 39.000 0.344 0.000 1.024 471 F HN 0.072 nan 8.300 nan 0.000 0.495 472 P HA -0.008 nan 4.420 nan 0.000 0.215 472 P C 2.085 179.226 177.300 -0.265 0.000 1.157 472 P CA 2.292 65.172 63.100 -0.366 0.000 0.863 472 P CB -0.399 31.046 31.700 -0.426 0.000 0.787 473 G N -0.495 108.183 108.800 -0.202 0.000 2.408 473 G HA2 -0.181 3.776 3.960 -0.004 0.000 0.217 473 G HA3 -0.181 3.776 3.960 -0.004 0.000 0.217 473 G C 1.616 176.432 174.900 -0.140 0.000 1.150 473 G CA 0.511 45.527 45.100 -0.140 0.000 0.776 473 G HN 0.136 nan 8.290 nan 0.000 0.542 474 V N 1.488 121.302 119.914 -0.167 0.000 2.358 474 V HA -0.088 4.029 4.120 -0.004 0.000 0.246 474 V C 3.316 179.304 176.094 -0.176 0.000 1.047 474 V CA 1.905 64.068 62.300 -0.228 0.000 1.035 474 V CB -0.716 30.872 31.823 -0.390 0.000 0.658 474 V HN 0.457 nan 8.190 nan 0.000 0.452 475 A N -0.094 122.629 122.820 -0.162 0.000 1.908 475 A HA -0.225 4.092 4.320 -0.004 0.000 0.218 475 A C 2.169 179.694 177.584 -0.098 0.000 1.181 475 A CA 2.200 54.158 52.037 -0.131 0.000 0.627 475 A CB -0.613 18.079 19.000 -0.512 0.000 0.818 475 A HN 0.454 nan 8.150 nan 0.000 0.445 476 L N -0.345 120.798 121.223 -0.133 0.000 2.046 476 L HA -0.049 4.289 4.340 -0.004 0.000 0.208 476 L C 2.649 179.511 176.870 -0.014 0.000 1.077 476 L CA 2.201 57.001 54.840 -0.066 0.000 0.747 476 L CB -0.800 41.212 42.059 -0.077 0.000 0.896 476 L HN 0.342 nan 8.230 nan 0.000 0.432 477 A N -1.220 121.586 122.820 -0.023 0.000 1.873 477 A HA -0.121 4.196 4.320 -0.004 0.000 0.215 477 A C 2.248 179.853 177.584 0.035 0.000 1.186 477 A CA 1.887 53.935 52.037 0.018 0.000 0.616 477 A CB -1.079 17.918 19.000 -0.004 0.000 0.823 477 A HN 0.285 nan 8.150 nan 0.000 0.442 478 V N 0.284 120.204 119.914 0.010 0.000 2.343 478 V HA -0.272 3.845 4.120 -0.004 0.000 0.247 478 V C 2.420 178.556 176.094 0.070 0.000 1.051 478 V CA 2.038 64.361 62.300 0.038 0.000 1.036 478 V CB -0.697 31.153 31.823 0.044 0.000 0.654 478 V HN 0.559 nan 8.190 nan 0.000 0.451 479 I N -0.468 120.145 120.570 0.072 0.000 2.163 479 I HA -0.239 3.928 4.170 -0.004 0.000 0.240 479 I C 2.302 178.480 176.117 0.101 0.000 1.081 479 I CA 1.633 62.985 61.300 0.086 0.000 1.353 479 I CB -0.355 37.693 38.000 0.079 0.000 1.054 479 I HN 0.226 nan 8.210 nan 0.000 0.407 480 L N -0.146 121.141 121.223 0.107 0.000 2.191 480 L HA -0.222 4.115 4.340 -0.004 0.000 0.212 480 L C 2.186 179.190 176.870 0.224 0.000 1.103 480 L CA 0.887 55.833 54.840 0.176 0.000 0.769 480 L CB -0.562 41.603 42.059 0.177 0.000 0.908 480 L HN 0.430 nan 8.230 nan 0.000 0.438 481 C N -0.295 119.092 119.300 0.146 0.000 2.697 481 C HA 0.119 4.576 4.460 -0.004 0.000 0.267 481 C C 1.145 176.182 174.990 0.078 0.000 1.278 481 C CA -0.386 58.672 59.018 0.066 0.000 1.708 481 C CB -1.799 25.922 27.740 -0.031 0.000 1.860 481 C HN 0.630 nan 8.230 nan 0.000 0.589 482 N N 0.521 119.291 118.700 0.117 0.000 2.721 482 N HA -0.150 4.588 4.740 -0.004 0.000 0.249 482 N C -0.340 175.261 175.510 0.152 0.000 1.072 482 N CA 0.303 53.429 53.050 0.127 0.000 0.710 482 N CB -0.944 37.636 38.487 0.154 0.000 0.993 482 N HN 0.478 nan 8.380 nan 0.000 0.547 483 T N -0.168 114.458 114.554 0.121 0.000 2.940 483 T HA 0.063 4.410 4.350 -0.004 0.000 0.309 483 T C 1.549 176.266 174.700 0.028 0.000 1.056 483 T CA 0.100 62.279 62.100 0.131 0.000 1.137 483 T CB 1.094 70.014 68.868 0.086 0.000 0.976 483 T HN 0.223 nan 8.240 nan 0.000 0.547 484 R N 0.874 121.333 120.500 -0.068 0.000 2.128 484 R HA 0.141 4.478 4.340 -0.004 0.000 0.211 484 R C 0.150 176.089 176.300 -0.601 0.000 1.067 484 R CA 0.666 56.525 56.100 -0.401 0.000 1.010 484 R CB 0.228 30.159 30.300 -0.615 0.000 0.922 484 R HN 0.691 nan 8.270 nan 0.000 0.457 485 H N -1.158 117.982 119.070 0.118 0.000 2.961 485 H HA 0.418 4.973 4.556 -0.003 0.000 0.371 485 H C -1.064 174.357 175.328 0.156 0.000 1.190 485 H CA -0.791 55.341 56.048 0.140 0.000 1.138 485 H CB 2.341 32.171 29.762 0.114 0.000 1.816 485 H HN -0.120 nan 8.280 nan 0.000 0.551 486 I N 2.531 123.292 120.570 0.317 0.000 2.354 486 I HA 0.224 4.391 4.170 -0.004 0.000 0.286 486 I C 0.154 176.444 176.117 0.288 0.000 1.007 486 I CA -0.586 60.868 61.300 0.257 0.000 1.167 486 I CB 1.158 39.324 38.000 0.276 0.000 1.320 486 I HN 0.588 nan 8.210 nan 0.000 0.458 487 S N 3.087 118.931 115.700 0.240 0.000 2.645 487 S HA 0.216 4.684 4.470 -0.004 0.000 0.266 487 S C 0.707 175.483 174.600 0.294 0.000 1.258 487 S CA -0.668 57.675 58.200 0.238 0.000 0.990 487 S CB 1.562 64.886 63.200 0.206 0.000 0.967 487 S HN 0.536 nan 8.310 nan 0.000 0.556 488 D N 1.183 121.741 120.400 0.264 0.000 2.178 488 D HA -0.057 4.581 4.640 -0.004 0.000 0.201 488 D C 1.964 178.415 176.300 0.251 0.000 0.980 488 D CA 1.247 55.424 54.000 0.294 0.000 0.842 488 D CB -0.501 40.413 40.800 0.189 0.000 0.948 488 D HN 0.565 nan 8.370 nan 0.000 0.472 489 S N 0.183 115.984 115.700 0.168 0.000 2.400 489 S HA -0.116 4.351 4.470 -0.004 0.000 0.232 489 S C 2.293 176.813 174.600 -0.133 0.000 1.025 489 S CA 0.388 58.629 58.200 0.068 0.000 0.993 489 S CB -0.133 63.174 63.200 0.179 0.000 0.808 489 S HN 0.120 nan 8.310 nan 0.000 0.478 490 V N 0.810 120.677 119.914 -0.078 0.000 2.407 490 V HA -0.160 3.958 4.120 -0.004 0.000 0.248 490 V C 1.801 177.649 176.094 -0.409 0.000 1.055 490 V CA 1.667 63.785 62.300 -0.304 0.000 1.049 490 V CB -0.771 30.878 31.823 -0.291 0.000 0.662 490 V HN 0.462 nan 8.190 nan 0.000 0.455 491 F N -1.008 118.885 119.950 -0.096 0.000 2.259 491 F HA -0.033 4.492 4.527 -0.003 0.000 0.298 491 F C 2.120 177.881 175.800 -0.065 0.000 1.088 491 F CA 1.047 59.004 58.000 -0.071 0.000 1.358 491 F CB -0.337 38.650 39.000 -0.023 0.000 1.040 491 F HN 0.035 nan 8.300 nan 0.000 0.505 492 L N -0.114 121.148 121.223 0.066 0.000 2.017 492 L HA -0.190 4.148 4.340 -0.004 0.000 0.208 492 L C 2.585 179.409 176.870 -0.077 0.000 1.073 492 L CA 1.492 56.341 54.840 0.015 0.000 0.745 492 L CB -0.279 41.781 42.059 0.002 0.000 0.894 492 L HN 0.075 nan 8.230 nan 0.000 0.432 493 E N -0.023 120.040 120.200 -0.230 0.000 2.077 493 E HA -0.216 4.131 4.350 -0.004 0.000 0.193 493 E C 2.119 178.624 176.600 -0.159 0.000 0.989 493 E CA 1.324 57.557 56.400 -0.279 0.000 0.800 493 E CB -0.112 29.235 29.700 -0.588 0.000 0.746 493 E HN 0.569 nan 8.360 nan 0.000 0.452 494 A N 1.319 124.043 122.820 -0.159 0.000 1.940 494 A HA -0.144 4.173 4.320 -0.004 0.000 0.219 494 A C 2.409 179.984 177.584 -0.014 0.000 1.176 494 A CA 2.147 54.127 52.037 -0.095 0.000 0.631 494 A CB -0.563 18.359 19.000 -0.129 0.000 0.814 494 A HN 0.286 nan 8.150 nan 0.000 0.446 495 A N -0.186 122.646 122.820 0.019 0.000 1.877 495 A HA -0.171 4.146 4.320 -0.004 0.000 0.216 495 A C 2.126 179.724 177.584 0.023 0.000 1.186 495 A CA 1.812 53.882 52.037 0.055 0.000 0.620 495 A CB -0.427 18.620 19.000 0.080 0.000 0.822 495 A HN 0.548 nan 8.150 nan 0.000 0.443 496 K N -0.386 120.013 120.400 -0.002 0.000 2.097 496 K HA -0.020 4.297 4.320 -0.004 0.000 0.205 496 K C 2.290 178.885 176.600 -0.007 0.000 1.050 496 K CA 1.019 57.302 56.287 -0.007 0.000 0.938 496 K CB -0.306 32.184 32.500 -0.016 0.000 0.718 496 K HN 0.437 nan 8.250 nan 0.000 0.442 497 A N 1.503 124.314 122.820 -0.014 0.000 1.933 497 A HA -0.153 4.164 4.320 -0.004 0.000 0.218 497 A C 2.073 179.660 177.584 0.006 0.000 1.175 497 A CA 1.097 53.130 52.037 -0.007 0.000 0.628 497 A CB -0.428 18.561 19.000 -0.017 0.000 0.814 497 A HN 0.218 nan 8.150 nan 0.000 0.444 498 L N -0.509 120.723 121.223 0.016 0.000 1.988 498 L HA -0.087 4.250 4.340 -0.004 0.000 0.207 498 L C 2.571 179.442 176.870 0.002 0.000 1.071 498 L CA 2.962 57.820 54.840 0.029 0.000 0.744 498 L CB -1.319 40.774 42.059 0.058 0.000 0.893 498 L HN 0.376 nan 8.230 nan 0.000 0.433 499 T N -1.489 113.055 114.554 -0.017 0.000 2.833 499 T HA -0.158 4.189 4.350 -0.004 0.000 0.269 499 T C 2.067 176.751 174.700 -0.028 0.000 1.054 499 T CA 1.704 63.775 62.100 -0.050 0.000 1.135 499 T CB -0.523 68.309 68.868 -0.060 0.000 0.869 499 T HN 0.700 nan 8.240 nan 0.000 0.466 500 S N 0.379 116.072 115.700 -0.011 0.000 2.500 500 S HA -0.057 4.410 4.470 -0.004 0.000 0.239 500 S C 1.854 176.455 174.600 0.001 0.000 0.989 500 S CA 0.676 58.874 58.200 -0.003 0.000 0.951 500 S CB -0.472 62.729 63.200 0.002 0.000 0.759 500 S HN 0.720 nan 8.310 nan 0.000 0.523 501 Q N 0.144 119.946 119.800 0.003 0.000 2.425 501 Q HA 0.327 4.665 4.340 -0.004 0.000 0.204 501 Q C -0.039 175.968 176.000 0.012 0.000 0.933 501 Q CA -0.041 55.770 55.803 0.013 0.000 0.939 501 Q CB -0.009 28.745 28.738 0.026 0.000 1.044 501 Q HN 0.551 nan 8.270 nan 0.000 0.513 502 L N 2.072 123.294 121.223 -0.001 0.000 2.380 502 L HA 0.099 4.436 4.340 -0.004 0.000 0.273 502 L C 0.631 177.503 176.870 0.003 0.000 1.138 502 L CA -0.184 54.654 54.840 -0.002 0.000 0.832 502 L CB 0.845 42.889 42.059 -0.025 0.000 1.124 502 L HN 0.078 nan 8.230 nan 0.000 0.454 503 T N -2.251 112.309 114.554 0.010 0.000 2.902 503 T HA 0.216 4.563 4.350 -0.004 0.000 0.283 503 T C 0.598 175.303 174.700 0.009 0.000 1.009 503 T CA -0.862 61.244 62.100 0.009 0.000 1.051 503 T CB 1.462 70.337 68.868 0.012 0.000 0.999 503 T HN 0.536 nan 8.240 nan 0.000 0.474 504 D N 0.845 121.250 120.400 0.007 0.000 2.172 504 D HA -0.179 4.459 4.640 -0.004 0.000 0.196 504 D C 2.095 178.400 176.300 0.009 0.000 0.999 504 D CA 1.606 55.611 54.000 0.008 0.000 0.856 504 D CB 0.083 40.887 40.800 0.007 0.000 0.934 504 D HN 0.788 nan 8.370 nan 0.000 0.453 505 E N 1.092 121.297 120.200 0.008 0.000 2.110 505 E HA -0.200 4.147 4.350 -0.004 0.000 0.193 505 E C 1.699 178.305 176.600 0.010 0.000 0.988 505 E CA 0.945 57.349 56.400 0.006 0.000 0.804 505 E CB -0.573 29.130 29.700 0.005 0.000 0.745 505 E HN 0.507 nan 8.360 nan 0.000 0.458 506 E N 0.489 120.699 120.200 0.016 0.000 2.158 506 E HA -0.060 4.287 4.350 -0.004 0.000 0.191 506 E C 2.058 178.675 176.600 0.029 0.000 0.982 506 E CA 0.279 56.693 56.400 0.024 0.000 0.823 506 E CB -0.073 29.645 29.700 0.029 0.000 0.766 506 E HN 0.059 nan 8.360 nan 0.000 0.468 507 L N 1.104 122.340 121.223 0.022 0.000 1.989 507 L HA -0.181 4.157 4.340 -0.004 0.000 0.211 507 L C 2.427 179.322 176.870 0.041 0.000 1.071 507 L CA 1.936 56.793 54.840 0.028 0.000 0.749 507 L CB -0.919 41.151 42.059 0.020 0.000 0.890 507 L HN 0.085 nan 8.230 nan 0.000 0.431 508 A N -1.321 121.515 122.820 0.027 0.000 2.024 508 A HA -0.280 4.037 4.320 -0.004 0.000 0.220 508 A C 2.278 179.869 177.584 0.011 0.000 1.164 508 A CA 1.687 53.736 52.037 0.021 0.000 0.643 508 A CB -0.649 18.354 19.000 0.004 0.000 0.806 508 A HN 0.564 nan 8.150 nan 0.000 0.451 509 Q N -1.385 118.423 119.800 0.013 0.000 2.472 509 Q HA 0.184 4.521 4.340 -0.004 0.000 0.208 509 Q C 1.061 177.087 176.000 0.044 0.000 0.958 509 Q CA 0.768 56.567 55.803 -0.006 0.000 0.932 509 Q CB -0.168 28.574 28.738 0.008 0.000 1.007 509 Q HN 0.889 nan 8.270 nan 0.000 0.508 510 G N 0.862 109.728 108.800 0.110 0.000 2.141 510 G HA2 -0.196 3.761 3.960 -0.004 0.000 0.231 510 G HA3 -0.196 3.761 3.960 -0.004 0.000 0.231 510 G C -0.368 174.654 174.900 0.203 0.000 0.984 510 G CA -0.295 44.937 45.100 0.219 0.000 0.660 510 G HN 0.141 nan 8.290 nan 0.000 0.525 511 R N 0.204 120.781 120.500 0.128 0.000 2.316 511 R HA 0.439 4.776 4.340 -0.004 0.000 0.314 511 R C 1.176 177.501 176.300 0.041 0.000 1.069 511 R CA -0.285 55.880 56.100 0.108 0.000 0.959 511 R CB 0.584 30.932 30.300 0.080 0.000 0.987 511 R HN 0.343 nan 8.270 nan 0.000 0.446 512 L N 2.706 123.928 121.223 -0.001 0.000 2.640 512 L HA 0.241 4.578 4.340 -0.004 0.000 0.230 512 L C -0.393 176.089 176.870 -0.647 0.000 1.123 512 L CA 0.311 54.997 54.840 -0.258 0.000 0.900 512 L CB 0.191 42.098 42.059 -0.253 0.000 1.146 512 L HN 0.495 nan 8.230 nan 0.000 0.484 513 Y N -1.583 118.659 120.300 -0.097 0.000 2.571 513 Y HA 0.410 4.957 4.550 -0.005 0.000 0.341 513 Y C -2.442 173.382 175.900 -0.128 0.000 1.076 513 Y CA -2.584 55.372 58.100 -0.240 0.000 1.029 513 Y CB 1.081 39.233 38.460 -0.514 0.000 1.308 513 Y HN -0.235 nan 8.280 nan 0.000 0.461 514 P HA 0.066 nan 4.420 nan 0.000 0.268 514 P C -2.603 174.827 177.300 0.216 0.000 1.208 514 P CA -0.816 62.355 63.100 0.118 0.000 0.777 514 P CB 0.051 31.833 31.700 0.136 0.000 0.875 515 P HA -0.032 nan 4.420 nan 0.000 0.265 515 P C 0.780 178.196 177.300 0.193 0.000 1.193 515 P CA -0.016 63.185 63.100 0.168 0.000 0.765 515 P CB 0.304 32.067 31.700 0.104 0.000 0.823 516 L N 4.718 126.049 121.223 0.181 0.000 2.127 516 L HA -0.186 4.151 4.340 -0.004 0.000 0.211 516 L C 2.067 178.943 176.870 0.010 0.000 1.089 516 L CA 2.053 56.935 54.840 0.069 0.000 0.757 516 L CB -1.414 40.667 42.059 0.038 0.000 0.899 516 L HN 0.433 nan 8.230 nan 0.000 0.434 517 A N -0.810 122.033 122.820 0.037 0.000 2.125 517 A HA -0.152 4.166 4.320 -0.004 0.000 0.219 517 A C 1.581 179.171 177.584 0.010 0.000 1.156 517 A CA 1.630 53.677 52.037 0.016 0.000 0.671 517 A CB -0.595 18.420 19.000 0.025 0.000 0.794 517 A HN 0.617 nan 8.150 nan 0.000 0.459 518 N N -0.777 117.941 118.700 0.030 0.000 2.251 518 N HA 0.155 4.892 4.740 -0.004 0.000 0.217 518 N C 0.984 176.505 175.510 0.017 0.000 1.124 518 N CA -0.079 52.987 53.050 0.027 0.000 0.843 518 N CB -0.004 38.512 38.487 0.048 0.000 1.024 518 N HN 0.563 nan 8.380 nan 0.000 0.501 519 I N 0.663 121.219 120.570 -0.024 0.000 2.399 519 I HA -0.364 3.803 4.170 -0.004 0.000 0.254 519 I C 1.680 177.751 176.117 -0.077 0.000 1.146 519 I CA 1.417 62.667 61.300 -0.084 0.000 1.412 519 I CB 0.407 38.264 38.000 -0.239 0.000 1.076 519 I HN 0.071 nan 8.210 nan 0.000 0.432 520 Q N 0.724 120.488 119.800 -0.059 0.000 1.993 520 Q HA -0.276 4.061 4.340 -0.004 0.000 0.202 520 Q C 2.031 178.009 176.000 -0.036 0.000 0.984 520 Q CA 2.316 58.088 55.803 -0.052 0.000 0.837 520 Q CB -0.371 28.343 28.738 -0.039 0.000 0.902 520 Q HN 0.695 nan 8.270 nan 0.000 0.423 521 E N 0.039 120.227 120.200 -0.019 0.000 2.153 521 E HA -0.151 4.196 4.350 -0.004 0.000 0.194 521 E C 1.836 178.436 176.600 -0.000 0.000 0.988 521 E CA 1.388 57.782 56.400 -0.010 0.000 0.811 521 E CB -0.278 29.421 29.700 -0.003 0.000 0.746 521 E HN 0.125 nan 8.360 nan 0.000 0.466 522 V N 1.318 121.241 119.914 0.015 0.000 2.343 522 V HA -0.257 3.860 4.120 -0.004 0.000 0.247 522 V C 2.431 178.535 176.094 0.017 0.000 1.051 522 V CA 2.018 64.343 62.300 0.042 0.000 1.036 522 V CB -0.434 31.455 31.823 0.110 0.000 0.654 522 V HN 0.337 nan 8.190 nan 0.000 0.451 523 S N -0.074 115.614 115.700 -0.020 0.000 2.368 523 S HA -0.108 4.360 4.470 -0.004 0.000 0.225 523 S C 1.931 176.502 174.600 -0.049 0.000 1.030 523 S CA 1.271 59.437 58.200 -0.058 0.000 0.999 523 S CB -0.252 62.881 63.200 -0.111 0.000 0.844 523 S HN 0.381 nan 8.310 nan 0.000 0.459 524 I N 2.760 123.307 120.570 -0.039 0.000 2.226 524 I HA -0.133 4.035 4.170 -0.004 0.000 0.245 524 I C 1.911 178.018 176.117 -0.018 0.000 1.100 524 I CA 1.215 62.496 61.300 -0.031 0.000 1.374 524 I CB -1.581 36.403 38.000 -0.027 0.000 1.057 524 I HN 0.256 nan 8.210 nan 0.000 0.413 525 N N 1.019 119.714 118.700 -0.009 0.000 2.166 525 N HA -0.101 4.636 4.740 -0.004 0.000 0.186 525 N C 1.991 177.500 175.510 -0.001 0.000 1.019 525 N CA 1.093 54.143 53.050 0.000 0.000 0.856 525 N CB -0.224 38.267 38.487 0.007 0.000 0.993 525 N HN 0.369 nan 8.380 nan 0.000 0.426 526 I N 0.995 121.561 120.570 -0.008 0.000 2.179 526 I HA -0.228 3.939 4.170 -0.004 0.000 0.242 526 I C 2.298 178.398 176.117 -0.027 0.000 1.088 526 I CA 0.932 62.221 61.300 -0.018 0.000 1.357 526 I CB -0.323 37.662 38.000 -0.026 0.000 1.051 526 I HN 0.053 nan 8.210 nan 0.000 0.409 527 A N 1.107 123.908 122.820 -0.032 0.000 1.908 527 A HA -0.214 4.104 4.320 -0.004 0.000 0.218 527 A C 2.302 179.893 177.584 0.013 0.000 1.181 527 A CA 1.663 53.686 52.037 -0.025 0.000 0.627 527 A CB -0.879 18.102 19.000 -0.032 0.000 0.818 527 A HN 0.389 nan 8.150 nan 0.000 0.445 528 I N -0.699 119.882 120.570 0.017 0.000 2.179 528 I HA -0.254 3.913 4.170 -0.004 0.000 0.242 528 I C 2.401 178.548 176.117 0.050 0.000 1.088 528 I CA 1.355 62.677 61.300 0.038 0.000 1.357 528 I CB -0.222 37.792 38.000 0.024 0.000 1.051 528 I HN 0.167 nan 8.210 nan 0.000 0.409 529 K N 0.455 120.875 120.400 0.034 0.000 2.097 529 K HA -0.088 4.229 4.320 -0.004 0.000 0.206 529 K C 2.083 178.727 176.600 0.072 0.000 1.049 529 K CA 1.105 57.419 56.287 0.044 0.000 0.933 529 K CB -0.591 31.920 32.500 0.018 0.000 0.717 529 K HN 0.228 nan 8.250 nan 0.000 0.442 530 V N 1.562 121.500 119.914 0.040 0.000 2.427 530 V HA -0.210 3.907 4.120 -0.004 0.000 0.248 530 V C 2.667 178.841 176.094 0.134 0.000 1.051 530 V CA 2.233 64.565 62.300 0.052 0.000 1.048 530 V CB -1.008 30.789 31.823 -0.044 0.000 0.666 530 V HN 0.519 nan 8.190 nan 0.000 0.456 531 T N -1.372 113.258 114.554 0.127 0.000 2.777 531 T HA -0.207 4.140 4.350 -0.004 0.000 0.266 531 T C 1.659 176.519 174.700 0.267 0.000 1.040 531 T CA 1.626 63.843 62.100 0.195 0.000 1.141 531 T CB -0.405 68.603 68.868 0.233 0.000 0.868 531 T HN 0.581 nan 8.240 nan 0.000 0.444 532 E N -0.064 120.251 120.200 0.191 0.000 2.110 532 E HA -0.130 4.218 4.350 -0.004 0.000 0.193 532 E C 1.882 178.582 176.600 0.165 0.000 0.988 532 E CA 1.327 57.820 56.400 0.154 0.000 0.804 532 E CB -0.339 29.415 29.700 0.090 0.000 0.745 532 E HN 0.709 nan 8.360 nan 0.000 0.458 533 Y N 1.351 121.686 120.300 0.058 0.000 2.200 533 Y HA -0.144 4.403 4.550 -0.005 0.000 0.290 533 Y C 1.916 177.831 175.900 0.026 0.000 1.137 533 Y CA 1.166 59.285 58.100 0.032 0.000 1.163 533 Y CB -0.086 38.377 38.460 0.005 0.000 0.988 533 Y HN -0.073 nan 8.280 nan 0.000 0.518 534 L N -1.310 119.944 121.223 0.052 0.000 2.046 534 L HA -0.260 4.077 4.340 -0.004 0.000 0.208 534 L C 2.128 178.874 176.870 -0.207 0.000 1.077 534 L CA 1.572 56.355 54.840 -0.094 0.000 0.747 534 L CB -0.847 41.183 42.059 -0.048 0.000 0.896 534 L HN 0.224 nan 8.230 nan 0.000 0.432 535 Y N -0.142 120.077 120.300 -0.135 0.000 2.145 535 Y HA -0.237 4.309 4.550 -0.007 0.000 0.286 535 Y C 2.656 178.449 175.900 -0.178 0.000 1.145 535 Y CA 1.341 59.348 58.100 -0.156 0.000 1.148 535 Y CB -0.516 37.878 38.460 -0.109 0.000 0.981 535 Y HN 0.124 nan 8.280 nan 0.000 0.507 536 A N -0.145 122.665 122.820 -0.017 0.000 2.076 536 A HA -0.175 4.142 4.320 -0.004 0.000 0.220 536 A C 1.489 178.964 177.584 -0.182 0.000 1.160 536 A CA 1.745 53.725 52.037 -0.094 0.000 0.653 536 A CB -0.456 18.484 19.000 -0.101 0.000 0.801 536 A HN 0.480 nan 8.150 nan 0.000 0.455 537 N N 0.124 118.650 118.700 -0.290 0.000 2.328 537 N HA 0.055 4.792 4.740 -0.004 0.000 0.247 537 N C -0.746 174.644 175.510 -0.200 0.000 1.165 537 N CA -0.088 52.793 53.050 -0.281 0.000 0.873 537 N CB 0.539 38.746 38.487 -0.467 0.000 1.125 537 N HN 0.174 nan 8.380 nan 0.000 0.513 538 K N 0.372 120.648 120.400 -0.207 0.000 3.156 538 K HA -0.193 4.124 4.320 -0.004 0.000 0.266 538 K C 0.452 176.866 176.600 -0.309 0.000 0.966 538 K CA 0.697 56.830 56.287 -0.257 0.000 0.719 538 K CB -2.093 30.318 32.500 -0.148 0.000 1.333 538 K HN 0.478 nan 8.250 nan 0.000 0.468 539 M N -1.193 118.205 119.600 -0.336 0.000 2.306 539 M HA 0.171 4.649 4.480 -0.004 0.000 0.292 539 M C 0.505 176.627 176.300 -0.296 0.000 1.018 539 M CA -0.012 55.186 55.300 -0.170 0.000 1.007 539 M CB 1.043 33.620 32.600 -0.037 0.000 1.510 539 M HN 0.259 nan 8.290 nan 0.000 0.537 540 A N 0.414 122.792 122.820 -0.737 0.000 2.324 540 A HA 0.811 5.128 4.320 -0.004 0.000 0.330 540 A C -1.057 175.908 177.584 -1.032 0.000 1.165 540 A CA -0.321 51.258 52.037 -0.764 0.000 0.813 540 A CB 0.456 18.657 19.000 -1.332 0.000 1.197 540 A HN 0.337 nan 8.150 nan 0.000 0.484 541 F N 2.108 121.936 119.950 -0.204 0.000 2.710 541 F HA 0.390 4.913 4.527 -0.007 0.000 0.345 541 F C -0.386 175.406 175.800 -0.014 0.000 1.362 541 F CA -0.447 57.500 58.000 -0.087 0.000 1.175 541 F CB 1.389 40.356 39.000 -0.054 0.000 1.561 541 F HN 0.239 nan 8.300 nan 0.000 0.593 542 V N 1.538 121.500 119.914 0.081 0.000 2.540 542 V HA 0.427 4.545 4.120 -0.004 0.000 0.302 542 V C -1.260 174.942 176.094 0.179 0.000 1.035 542 V CA -1.141 61.241 62.300 0.137 0.000 0.873 542 V CB 2.217 34.106 31.823 0.109 0.000 0.992 542 V HN 0.367 nan 8.190 nan 0.000 0.428 543 Y N 7.029 127.355 120.300 0.043 0.000 2.373 543 Y HA 0.805 5.362 4.550 0.011 0.000 0.336 543 Y C -2.210 173.699 175.900 0.014 0.000 0.979 543 Y CA -2.242 55.873 58.100 0.025 0.000 1.080 543 Y CB 1.751 40.233 38.460 0.038 0.000 1.190 543 Y HN 0.623 nan 8.280 nan 0.000 0.446 544 P HA 0.213 nan 4.420 nan 0.000 0.276 544 P C -1.216 176.025 177.300 -0.099 0.000 1.252 544 P CA -0.588 62.377 63.100 -0.226 0.000 0.802 544 P CB 1.302 32.836 31.700 -0.277 0.000 1.035 545 E N 2.337 122.532 120.200 -0.009 0.000 2.217 545 E HA 0.129 4.476 4.350 -0.004 0.000 0.279 545 E C -1.707 174.765 176.600 -0.212 0.000 1.068 545 E CA -1.766 54.598 56.400 -0.060 0.000 0.882 545 E CB 0.273 29.988 29.700 0.024 0.000 1.039 545 E HN 0.266 nan 8.360 nan 0.000 0.418 546 P HA -0.026 nan 4.420 nan 0.000 0.268 546 P C -0.030 177.107 177.300 -0.272 0.000 1.205 546 P CA 0.242 63.137 63.100 -0.341 0.000 0.771 546 P CB 1.209 32.586 31.700 -0.539 0.000 0.858 547 E N 0.903 121.002 120.200 -0.169 0.000 2.112 547 E HA -0.113 4.234 4.350 -0.004 0.000 0.190 547 E C 0.282 176.805 176.600 -0.129 0.000 0.979 547 E CA 0.616 56.931 56.400 -0.141 0.000 0.814 547 E CB 0.185 29.832 29.700 -0.088 0.000 0.762 547 E HN 0.429 nan 8.360 nan 0.000 0.460 548 D N 0.173 120.520 120.400 -0.089 0.000 2.473 548 D HA 0.022 4.660 4.640 -0.004 0.000 0.226 548 D C 0.432 176.717 176.300 -0.025 0.000 1.089 548 D CA -0.185 53.785 54.000 -0.051 0.000 0.883 548 D CB 0.719 41.509 40.800 -0.017 0.000 1.029 548 D HN -0.090 nan 8.370 nan 0.000 0.517 549 K N 2.321 122.684 120.400 -0.061 0.000 2.032 549 K HA -0.128 4.190 4.320 -0.004 0.000 0.209 549 K C 1.776 178.420 176.600 0.073 0.000 1.048 549 K CA 1.102 57.385 56.287 -0.008 0.000 0.927 549 K CB -0.733 31.734 32.500 -0.056 0.000 0.712 549 K HN 0.438 nan 8.250 nan 0.000 0.441 550 A N 1.892 124.731 122.820 0.032 0.000 1.892 550 A HA -0.239 4.078 4.320 -0.004 0.000 0.218 550 A C 2.298 179.902 177.584 0.032 0.000 1.188 550 A CA 2.211 54.265 52.037 0.029 0.000 0.631 550 A CB -0.509 18.498 19.000 0.011 0.000 0.822 550 A HN 0.374 nan 8.150 nan 0.000 0.447 551 K N -2.046 118.376 120.400 0.037 0.000 2.097 551 K HA -0.204 4.114 4.320 -0.004 0.000 0.206 551 K C 1.946 178.580 176.600 0.058 0.000 1.049 551 K CA 1.695 58.002 56.287 0.034 0.000 0.933 551 K CB -0.371 32.147 32.500 0.031 0.000 0.717 551 K HN 0.533 nan 8.250 nan 0.000 0.442 552 Y N 1.086 121.369 120.300 -0.027 0.000 2.145 552 Y HA -0.245 4.293 4.550 -0.020 0.000 0.286 552 Y C 1.867 177.766 175.900 -0.001 0.000 1.145 552 Y CA 1.474 59.564 58.100 -0.016 0.000 1.148 552 Y CB -0.471 37.977 38.460 -0.020 0.000 0.981 552 Y HN -0.167 nan 8.280 nan 0.000 0.507 553 V N 0.946 120.827 119.914 -0.056 0.000 2.255 553 V HA -0.359 3.758 4.120 -0.004 0.000 0.247 553 V C 2.282 178.293 176.094 -0.137 0.000 1.051 553 V CA 2.517 64.744 62.300 -0.122 0.000 1.018 553 V CB -0.671 31.149 31.823 -0.005 0.000 0.641 553 V HN 0.357 nan 8.190 nan 0.000 0.445 554 K N -0.289 120.063 120.400 -0.080 0.000 2.147 554 K HA -0.217 4.100 4.320 -0.004 0.000 0.205 554 K C 2.117 178.663 176.600 -0.090 0.000 1.049 554 K CA 1.640 57.885 56.287 -0.069 0.000 0.936 554 K CB -0.185 32.289 32.500 -0.042 0.000 0.722 554 K HN 0.525 nan 8.250 nan 0.000 0.446 555 E N 0.462 120.593 120.200 -0.115 0.000 2.208 555 E HA -0.155 4.192 4.350 -0.004 0.000 0.193 555 E C 1.841 178.353 176.600 -0.148 0.000 0.988 555 E CA 0.630 56.962 56.400 -0.113 0.000 0.828 555 E CB 0.238 29.885 29.700 -0.088 0.000 0.763 555 E HN 0.111 nan 8.360 nan 0.000 0.478 556 Q N 0.274 119.935 119.800 -0.231 0.000 2.432 556 Q HA -0.020 4.318 4.340 -0.004 0.000 0.205 556 Q C 0.047 175.993 176.000 -0.090 0.000 0.945 556 Q CA 0.450 56.125 55.803 -0.212 0.000 0.924 556 Q CB 0.180 28.695 28.738 -0.373 0.000 1.016 556 Q HN 0.204 nan 8.270 nan 0.000 0.503 557 T N -1.824 112.688 114.554 -0.069 0.000 2.916 557 T HA 0.046 4.393 4.350 -0.004 0.000 0.303 557 T C -0.294 174.437 174.700 0.050 0.000 1.025 557 T CA -0.695 61.404 62.100 -0.003 0.000 1.142 557 T CB 0.413 69.269 68.868 -0.020 0.000 0.947 557 T HN 0.303 nan 8.240 nan 0.000 0.544 558 W N 3.245 124.488 121.300 -0.095 0.000 2.190 558 W HA 0.502 5.158 4.660 -0.006 0.000 0.330 558 W C 0.145 176.605 176.519 -0.098 0.000 1.299 558 W CA -0.710 56.579 57.345 -0.092 0.000 1.215 558 W CB 0.551 29.946 29.460 -0.109 0.000 1.147 558 W HN 0.628 nan 8.180 nan 0.000 0.563 559 R N 1.931 121.968 120.500 -0.771 0.000 2.711 559 R HA 0.236 4.573 4.340 -0.004 0.000 0.284 559 R C 1.089 176.629 176.300 -1.266 0.000 0.968 559 R CA 0.003 55.675 56.100 -0.713 0.000 0.924 559 R CB 1.744 31.774 30.300 -0.449 0.000 1.162 559 R HN 0.503 nan 8.270 nan 0.000 0.465 560 S N 0.668 115.925 115.700 -0.738 0.000 2.603 560 S HA 0.013 4.481 4.470 -0.004 0.000 0.220 560 S C -0.026 174.268 174.600 -0.511 0.000 0.967 560 S CA -0.105 57.737 58.200 -0.597 0.000 0.920 560 S CB -0.210 62.883 63.200 -0.179 0.000 0.773 560 S HN 0.517 nan 8.310 nan 0.000 0.529 561 E N 1.549 121.474 120.200 -0.458 0.000 2.392 561 E HA 0.100 4.448 4.350 -0.004 0.000 0.264 561 E C -0.642 175.785 176.600 -0.287 0.000 1.024 561 E CA -0.374 55.815 56.400 -0.352 0.000 0.903 561 E CB 0.172 29.733 29.700 -0.231 0.000 0.963 561 E HN 0.544 nan 8.360 nan 0.000 0.432 562 Y N 1.045 121.257 120.300 -0.146 0.000 2.597 562 Y HA -0.038 4.508 4.550 -0.007 0.000 0.336 562 Y C 0.986 176.819 175.900 -0.111 0.000 1.216 562 Y CA 0.140 58.164 58.100 -0.126 0.000 1.463 562 Y CB 0.638 39.025 38.460 -0.122 0.000 1.303 562 Y HN 0.313 nan 8.280 nan 0.000 0.576 563 D N 0.775 121.236 120.400 0.102 0.000 2.217 563 D HA 0.091 4.729 4.640 -0.004 0.000 0.248 563 D C -0.583 175.743 176.300 0.043 0.000 1.008 563 D CA -0.425 53.599 54.000 0.040 0.000 0.914 563 D CB 1.865 42.686 40.800 0.034 0.000 1.182 563 D HN 0.370 nan 8.370 nan 0.000 0.451 564 S N 0.632 116.353 115.700 0.035 0.000 2.549 564 S HA 0.170 4.638 4.470 -0.004 0.000 0.279 564 S C 0.962 175.593 174.600 0.052 0.000 1.321 564 S CA -0.448 57.775 58.200 0.038 0.000 1.054 564 S CB 0.171 63.393 63.200 0.037 0.000 0.899 564 S HN 0.337 nan 8.310 nan 0.000 0.497 565 L N 4.730 125.990 121.223 0.062 0.000 2.728 565 L HA 0.337 4.674 4.340 -0.004 0.000 0.238 565 L C 0.136 177.037 176.870 0.052 0.000 1.143 565 L CA -0.151 54.730 54.840 0.069 0.000 0.937 565 L CB -0.122 42.005 42.059 0.113 0.000 1.225 565 L HN 0.490 nan 8.230 nan 0.000 0.507 566 L N 1.982 123.236 121.223 0.051 0.000 2.453 566 L HA 0.165 4.502 4.340 -0.004 0.000 0.272 566 L C -1.740 175.160 176.870 0.049 0.000 1.182 566 L CA -1.472 53.393 54.840 0.042 0.000 0.858 566 L CB 0.412 42.497 42.059 0.042 0.000 1.120 566 L HN -0.110 nan 8.230 nan 0.000 0.474 567 P HA 0.032 nan 4.420 nan 0.000 0.272 567 P C -0.925 176.425 177.300 0.083 0.000 1.223 567 P CA -0.437 62.698 63.100 0.059 0.000 0.784 567 P CB 0.438 32.153 31.700 0.026 0.000 0.923 568 D N 1.741 122.217 120.400 0.127 0.000 2.344 568 D HA 0.126 4.764 4.640 -0.004 0.000 0.253 568 D C -0.915 175.512 176.300 0.212 0.000 1.255 568 D CA 0.261 54.372 54.000 0.186 0.000 0.894 568 D CB -0.018 40.917 40.800 0.226 0.000 1.067 568 D HN -0.115 nan 8.370 nan 0.000 0.492 569 V N 5.995 126.006 119.914 0.163 0.000 2.459 569 V HA 0.536 4.654 4.120 -0.004 0.000 0.295 569 V C -0.510 175.673 176.094 0.149 0.000 1.029 569 V CA -0.587 61.735 62.300 0.036 0.000 0.874 569 V CB 0.868 32.679 31.823 -0.019 0.000 0.985 569 V HN 0.475 nan 8.190 nan 0.000 0.438 570 Y N 1.219 121.513 120.300 -0.010 0.000 2.656 570 Y HA 0.730 5.281 4.550 0.002 0.000 0.334 570 Y C -0.700 175.210 175.900 0.018 0.000 1.179 570 Y CA -1.409 56.704 58.100 0.021 0.000 1.050 570 Y CB 1.295 39.790 38.460 0.059 0.000 1.308 570 Y HN 0.490 nan 8.280 nan 0.000 0.456 571 E N 1.045 121.364 120.200 0.199 0.000 2.301 571 E HA 0.253 4.600 4.350 -0.004 0.000 0.275 571 E C -1.585 175.231 176.600 0.361 0.000 1.030 571 E CA -0.568 55.924 56.400 0.153 0.000 0.852 571 E CB 0.701 30.477 29.700 0.127 0.000 1.060 571 E HN 0.534 nan 8.360 nan 0.000 0.401 572 W N 4.716 126.048 121.300 0.052 0.000 2.365 572 W HA 0.304 4.959 4.660 -0.009 0.000 0.316 572 W C -1.470 175.079 176.519 0.051 0.000 1.164 572 W CA -2.317 55.071 57.345 0.071 0.000 1.204 572 W CB 0.095 29.573 29.460 0.030 0.000 1.213 572 W HN 0.528 nan 8.180 nan 0.000 0.539 573 P HA 0.000 nan 4.420 nan 0.000 0.216 573 P CA 0.000 63.155 63.100 0.091 0.000 0.800 573 P CB 0.000 31.720 31.700 0.034 0.000 0.726