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 2npd_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVADKADNAF MMICTALVLF MTIPGIALFY GGLIRGKNVL SMLTQVTVTF DATA SEQUENCE ALVCILWVVY GYSLAFGEGN NFFGNINWLM LKNIELTAVM GSIYQYIHVA DATA SEQUENCE FQGSFACITV GLIVGALAER IRFSAVLIFV VVWLTLSYIP IAHMVWGGGL DATA SEQUENCE LASHGALDFA GGTVVFINAA IAGLVGAYLX XXXXXXXXXX XXPHNLPMVF DATA SEQUENCE TGTAILYIGW FGFNAGSAGT ANEIAALAFV NTVVATAAAI LGWIFGEWAL DATA SEQUENCE RGKPSLLGAC SGAIAGLVGV TPACGYIGVG GALIIGVVAG LAGLWGVTML DATA SEQUENCE KRLXXXDDPC DVFGVHGVCG IVGCIMTGIF AASSLGGVGF AEGVTMGHQL DATA SEQUENCE LVQLESIAIT IVWSGVVAFI GYKLADLTVG LRVP 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.555 177.584 -0.048 0.000 1.274 3 A CA 0.000 52.018 52.037 -0.031 0.000 0.836 3 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 4 V N 2.589 122.464 119.914 -0.065 0.000 2.581 4 V HA 0.835 4.956 4.120 0.001 0.000 0.303 4 V C 0.703 176.700 176.094 -0.162 0.000 1.041 4 V CA 0.101 62.348 62.300 -0.089 0.000 0.907 4 V CB 1.620 33.411 31.823 -0.053 0.000 0.994 4 V HN 2.075 nan 8.190 nan 0.000 0.442 5 A N 4.545 127.191 122.820 -0.289 0.000 2.440 5 A HA 0.368 4.689 4.320 0.001 0.000 0.251 5 A C -0.011 177.424 177.584 -0.248 0.000 1.089 5 A CA -0.130 51.642 52.037 -0.441 0.000 0.779 5 A CB 0.169 18.497 19.000 -1.120 0.000 1.022 5 A HN 0.897 nan 8.150 nan 0.000 0.492 6 D N 1.937 122.225 120.400 -0.187 0.000 2.274 6 D HA 0.207 4.848 4.640 0.001 0.000 0.239 6 D C 0.733 176.986 176.300 -0.078 0.000 1.104 6 D CA -0.303 53.634 54.000 -0.105 0.000 0.840 6 D CB 1.055 41.807 40.800 -0.080 0.000 1.100 6 D HN 0.514 nan 8.370 nan 0.000 0.477 7 K N 2.295 122.672 120.400 -0.037 0.000 2.152 7 K HA -0.138 4.182 4.320 0.001 0.000 0.206 7 K C 1.812 178.422 176.600 0.017 0.000 1.048 7 K CA 1.349 57.641 56.287 0.007 0.000 0.933 7 K CB 0.115 32.630 32.500 0.025 0.000 0.721 7 K HN 0.475 nan 8.250 nan 0.000 0.447 8 A N 1.730 124.550 122.820 0.001 0.000 1.902 8 A HA -0.204 4.117 4.320 0.001 0.000 0.217 8 A C 1.570 179.179 177.584 0.042 0.000 1.181 8 A CA 1.887 53.929 52.037 0.008 0.000 0.623 8 A CB -0.381 18.602 19.000 -0.028 0.000 0.818 8 A HN 0.169 nan 8.150 nan 0.000 0.443 9 D N 0.133 120.543 120.400 0.017 0.000 2.117 9 D HA -0.118 4.522 4.640 0.001 0.000 0.198 9 D C 1.646 177.988 176.300 0.070 0.000 0.982 9 D CA 1.104 55.136 54.000 0.054 0.000 0.828 9 D CB -0.423 40.371 40.800 -0.010 0.000 0.967 9 D HN 0.337 nan 8.370 nan 0.000 0.464 10 N N 0.979 119.697 118.700 0.029 0.000 2.069 10 N HA -0.127 4.614 4.740 0.001 0.000 0.191 10 N C 1.782 177.336 175.510 0.072 0.000 1.031 10 N CA 1.457 54.538 53.050 0.051 0.000 0.852 10 N CB -0.505 38.033 38.487 0.085 0.000 1.018 10 N HN 0.133 nan 8.380 nan 0.000 0.423 11 A N 0.799 123.670 122.820 0.084 0.000 1.865 11 A HA -0.165 4.156 4.320 0.001 0.000 0.217 11 A C 2.165 179.819 177.584 0.117 0.000 1.191 11 A CA 1.278 53.368 52.037 0.089 0.000 0.623 11 A CB -1.163 17.889 19.000 0.087 0.000 0.826 11 A HN 0.287 nan 8.150 nan 0.000 0.444 12 F N 0.024 119.967 119.950 -0.011 0.000 2.120 12 F HA -0.209 4.319 4.527 0.001 0.000 0.300 12 F C 2.186 177.974 175.800 -0.020 0.000 1.095 12 F CA 2.049 60.044 58.000 -0.009 0.000 1.249 12 F CB -0.161 38.825 39.000 -0.024 0.000 0.995 12 F HN 0.114 nan 8.300 nan 0.000 0.480 13 M N -0.961 118.581 119.600 -0.097 0.000 2.388 13 M HA -0.055 4.426 4.480 0.001 0.000 0.265 13 M C 2.180 178.394 176.300 -0.144 0.000 1.088 13 M CA 0.983 56.112 55.300 -0.285 0.000 1.134 13 M CB -0.944 31.509 32.600 -0.245 0.000 1.384 13 M HN 0.263 nan 8.290 nan 0.000 0.447 14 M N -0.075 119.500 119.600 -0.043 0.000 2.132 14 M HA -0.176 4.305 4.480 0.001 0.000 0.263 14 M C 1.913 178.209 176.300 -0.005 0.000 1.065 14 M CA 1.199 56.502 55.300 0.005 0.000 1.122 14 M CB -0.308 32.309 32.600 0.029 0.000 1.365 14 M HN 0.104 nan 8.290 nan 0.000 0.411 15 I N 0.017 120.569 120.570 -0.031 0.000 2.179 15 I HA -0.269 3.901 4.170 0.001 0.000 0.242 15 I C 2.565 178.655 176.117 -0.045 0.000 1.088 15 I CA 1.248 62.531 61.300 -0.028 0.000 1.357 15 I CB -1.710 36.287 38.000 -0.006 0.000 1.051 15 I HN 0.396 nan 8.210 nan 0.000 0.409 16 C N 0.667 119.871 119.300 -0.159 0.000 2.413 16 C HA -0.181 4.280 4.460 0.001 0.000 0.276 16 C C 2.999 178.074 174.990 0.143 0.000 1.248 16 C CA 1.568 60.538 59.018 -0.081 0.000 1.742 16 C CB -1.245 26.306 27.740 -0.314 0.000 2.017 16 C HN 0.542 nan 8.230 nan 0.000 0.481 17 T N 1.044 115.703 114.554 0.175 0.000 2.746 17 T HA -0.114 4.237 4.350 0.001 0.000 0.267 17 T C 2.133 176.891 174.700 0.097 0.000 1.039 17 T CA 1.601 63.826 62.100 0.208 0.000 1.142 17 T CB -0.435 68.545 68.868 0.187 0.000 0.866 17 T HN 0.649 nan 8.240 nan 0.000 0.444 18 A N 1.255 124.113 122.820 0.064 0.000 1.940 18 A HA -0.008 4.312 4.320 0.001 0.000 0.219 18 A C 2.299 179.924 177.584 0.069 0.000 1.176 18 A CA 1.229 53.291 52.037 0.042 0.000 0.631 18 A CB -0.870 18.130 19.000 -0.002 0.000 0.814 18 A HN 0.480 nan 8.150 nan 0.000 0.446 19 L N -0.626 120.650 121.223 0.088 0.000 2.141 19 L HA -0.138 4.203 4.340 0.001 0.000 0.209 19 L C 2.446 179.400 176.870 0.140 0.000 1.094 19 L CA 0.888 55.826 54.840 0.164 0.000 0.763 19 L CB -0.380 41.776 42.059 0.162 0.000 0.908 19 L HN 0.266 nan 8.230 nan 0.000 0.437 20 V N -0.181 119.766 119.914 0.055 0.000 2.379 20 V HA -0.226 3.894 4.120 0.001 0.000 0.245 20 V C 2.340 178.399 176.094 -0.058 0.000 1.044 20 V CA 1.226 63.479 62.300 -0.078 0.000 1.036 20 V CB -0.298 31.380 31.823 -0.242 0.000 0.664 20 V HN 0.331 nan 8.190 nan 0.000 0.453 21 L N -0.956 120.282 121.223 0.024 0.000 2.079 21 L HA -0.201 4.140 4.340 0.001 0.000 0.210 21 L C 2.410 179.319 176.870 0.066 0.000 1.081 21 L CA 1.654 56.541 54.840 0.078 0.000 0.752 21 L CB -0.649 41.494 42.059 0.139 0.000 0.896 21 L HN 0.352 nan 8.230 nan 0.000 0.433 22 F N 0.699 120.601 119.950 -0.079 0.000 2.216 22 F HA -0.184 4.343 4.527 0.001 0.000 0.300 22 F C 2.350 178.081 175.800 -0.115 0.000 1.085 22 F CA 1.194 59.143 58.000 -0.086 0.000 1.326 22 F CB -0.321 38.653 39.000 -0.043 0.000 1.027 22 F HN -0.007 nan 8.300 nan 0.000 0.497 23 M N -0.826 118.688 119.600 -0.142 0.000 2.149 23 M HA -0.217 4.264 4.480 0.001 0.000 0.261 23 M C 1.851 177.998 176.300 -0.256 0.000 1.064 23 M CA 2.217 57.345 55.300 -0.286 0.000 1.102 23 M CB -0.793 31.597 32.600 -0.350 0.000 1.369 23 M HN 0.032 nan 8.290 nan 0.000 0.408 24 T N 0.121 114.554 114.554 -0.201 0.000 2.866 24 T HA 0.162 4.512 4.350 0.001 0.000 0.250 24 T C 0.874 175.424 174.700 -0.250 0.000 1.033 24 T CA 0.626 62.610 62.100 -0.194 0.000 1.145 24 T CB 0.333 69.109 68.868 -0.152 0.000 0.866 24 T HN 0.062 nan 8.240 nan 0.000 0.434 25 I N 3.294 123.683 120.570 -0.301 0.000 2.428 25 I HA 0.273 4.444 4.170 0.001 0.000 0.279 25 I C -2.129 173.944 176.117 -0.073 0.000 1.040 25 I CA -2.412 58.718 61.300 -0.283 0.000 1.171 25 I CB 1.312 38.996 38.000 -0.527 0.000 1.312 25 I HN 0.067 nan 8.210 nan 0.000 0.470 26 P HA 0.169 nan 4.420 nan 0.000 0.275 26 P C 1.300 178.503 177.300 -0.162 0.000 1.310 26 P CA 0.170 63.201 63.100 -0.116 0.000 0.904 26 P CB 0.967 32.638 31.700 -0.050 0.000 1.381 27 G N 1.932 110.567 108.800 -0.275 0.000 2.672 27 G HA2 -0.309 3.652 3.960 0.001 0.000 0.218 27 G HA3 -0.309 3.652 3.960 0.001 0.000 0.218 27 G C 1.333 176.147 174.900 -0.144 0.000 1.238 27 G CA 1.032 45.963 45.100 -0.281 0.000 0.791 27 G HN 0.255 nan 8.290 nan 0.000 0.606 28 I N 1.762 122.254 120.570 -0.129 0.000 2.394 28 I HA 0.018 4.189 4.170 0.001 0.000 0.251 28 I C 3.027 179.211 176.117 0.112 0.000 1.136 28 I CA 1.249 62.523 61.300 -0.042 0.000 1.425 28 I CB -0.389 37.602 38.000 -0.015 0.000 1.079 28 I HN 0.230 nan 8.210 nan 0.000 0.425 29 A N 0.031 122.888 122.820 0.061 0.000 1.902 29 A HA -0.167 4.154 4.320 0.001 0.000 0.217 29 A C 2.288 179.922 177.584 0.083 0.000 1.181 29 A CA 1.803 53.894 52.037 0.090 0.000 0.623 29 A CB -0.899 18.108 19.000 0.012 0.000 0.818 29 A HN 0.474 nan 8.150 nan 0.000 0.443 30 L N -2.397 118.843 121.223 0.029 0.000 2.179 30 L HA -0.046 4.295 4.340 0.001 0.000 0.208 30 L C 2.401 179.275 176.870 0.006 0.000 1.096 30 L CA 0.899 55.744 54.840 0.009 0.000 0.779 30 L CB -0.435 41.607 42.059 -0.028 0.000 0.922 30 L HN 0.498 nan 8.230 nan 0.000 0.443 31 F N 0.314 120.173 119.950 -0.153 0.000 2.046 31 F HA -0.303 4.224 4.527 0.001 0.000 0.297 31 F C 2.337 178.005 175.800 -0.221 0.000 1.123 31 F CA 1.789 59.644 58.000 -0.240 0.000 1.199 31 F CB -0.361 38.418 39.000 -0.367 0.000 0.972 31 F HN -0.059 nan 8.300 nan 0.000 0.474 32 Y N 0.399 120.751 120.300 0.088 0.000 2.293 32 Y HA 0.018 4.569 4.550 0.002 0.000 0.291 32 Y C 2.701 178.571 175.900 -0.050 0.000 1.137 32 Y CA 1.001 59.090 58.100 -0.018 0.000 1.202 32 Y CB -1.380 37.118 38.460 0.063 0.000 0.990 32 Y HN 0.146 nan 8.280 nan 0.000 0.537 33 G N -0.552 108.321 108.800 0.123 0.000 2.450 33 G HA2 -0.214 3.746 3.960 0.001 0.000 0.220 33 G HA3 -0.214 3.746 3.960 0.001 0.000 0.220 33 G C 1.972 176.911 174.900 0.065 0.000 1.130 33 G CA 1.023 46.180 45.100 0.094 0.000 0.760 33 G HN 0.523 nan 8.290 nan 0.000 0.557 34 G N -0.035 108.708 108.800 -0.096 0.000 2.603 34 G HA2 0.130 4.091 3.960 0.001 0.000 0.214 34 G HA3 0.130 4.091 3.960 0.001 0.000 0.214 34 G C 1.659 176.416 174.900 -0.238 0.000 1.140 34 G CA 0.090 45.026 45.100 -0.272 0.000 0.800 34 G HN 0.411 nan 8.290 nan 0.000 0.533 35 L N 0.582 121.719 121.223 -0.143 0.000 2.202 35 L HA 0.306 4.647 4.340 0.001 0.000 0.205 35 L C 1.652 178.554 176.870 0.053 0.000 1.083 35 L CA 0.087 54.869 54.840 -0.096 0.000 0.790 35 L CB -0.225 41.728 42.059 -0.176 0.000 0.942 35 L HN 0.297 nan 8.230 nan 0.000 0.452 36 I N -1.915 118.719 120.570 0.107 0.000 3.156 36 I HA 0.248 4.419 4.170 0.001 0.000 0.306 36 I C 0.646 176.792 176.117 0.047 0.000 1.048 36 I CA -0.845 60.497 61.300 0.070 0.000 1.207 36 I CB 0.473 38.495 38.000 0.037 0.000 1.456 36 I HN -0.095 nan 8.210 nan 0.000 0.616 37 R N 2.104 122.568 120.500 -0.061 0.000 2.538 37 R HA 0.123 4.464 4.340 0.001 0.000 0.282 37 R C 1.296 177.386 176.300 -0.350 0.000 1.009 37 R CA 1.253 57.245 56.100 -0.180 0.000 1.063 37 R CB 0.685 30.917 30.300 -0.114 0.000 0.945 37 R HN 0.896 nan 8.270 nan 0.000 0.414 38 G N 4.434 112.840 108.800 -0.656 0.000 2.529 38 G HA2 -0.400 3.560 3.960 0.001 0.000 0.219 38 G HA3 -0.400 3.560 3.960 0.001 0.000 0.219 38 G C 0.882 175.632 174.900 -0.249 0.000 1.177 38 G CA 1.374 46.095 45.100 -0.632 0.000 0.773 38 G HN 0.799 nan 8.290 nan 0.000 0.573 39 K N -0.054 120.242 120.400 -0.173 0.000 2.442 39 K HA 0.024 4.345 4.320 0.001 0.000 0.198 39 K C 1.281 177.836 176.600 -0.075 0.000 1.044 39 K CA 1.259 57.488 56.287 -0.096 0.000 0.948 39 K CB -0.044 32.410 32.500 -0.076 0.000 0.762 39 K HN 0.193 nan 8.250 nan 0.000 0.472 40 N N 0.557 119.204 118.700 -0.089 0.000 2.205 40 N HA 0.033 4.774 4.740 0.001 0.000 0.201 40 N C 1.346 176.828 175.510 -0.046 0.000 1.128 40 N CA 0.126 53.138 53.050 -0.064 0.000 0.867 40 N CB 0.666 39.113 38.487 -0.067 0.000 0.996 40 N HN -0.013 nan 8.380 nan 0.000 0.503 41 V N 1.525 121.415 119.914 -0.040 0.000 2.295 41 V HA -0.157 3.963 4.120 0.001 0.000 0.246 41 V C 2.376 178.473 176.094 0.005 0.000 1.049 41 V CA 1.288 63.591 62.300 0.005 0.000 1.024 41 V CB -0.417 31.432 31.823 0.043 0.000 0.648 41 V HN 0.232 nan 8.190 nan 0.000 0.447 42 L N -0.237 120.987 121.223 0.002 0.000 2.012 42 L HA -0.199 4.142 4.340 0.001 0.000 0.210 42 L C 2.721 179.593 176.870 0.003 0.000 1.073 42 L CA 1.996 56.843 54.840 0.011 0.000 0.748 42 L CB -0.816 41.252 42.059 0.015 0.000 0.891 42 L HN 0.370 nan 8.230 nan 0.000 0.431 43 S N -0.377 115.315 115.700 -0.014 0.000 2.368 43 S HA -0.219 4.252 4.470 0.001 0.000 0.225 43 S C 2.029 176.569 174.600 -0.100 0.000 1.030 43 S CA 1.345 59.520 58.200 -0.042 0.000 0.999 43 S CB -0.173 63.000 63.200 -0.045 0.000 0.844 43 S HN 0.311 nan 8.310 nan 0.000 0.459 44 M N 0.984 120.537 119.600 -0.078 0.000 2.117 44 M HA -0.045 4.435 4.480 0.001 0.000 0.262 44 M C 1.836 178.102 176.300 -0.057 0.000 1.065 44 M CA 1.583 56.832 55.300 -0.086 0.000 1.114 44 M CB -0.971 31.599 32.600 -0.050 0.000 1.361 44 M HN 0.390 nan 8.290 nan 0.000 0.408 45 L N -0.529 120.684 121.223 -0.017 0.000 2.093 45 L HA -0.188 4.153 4.340 0.001 0.000 0.208 45 L C 2.261 179.136 176.870 0.009 0.000 1.085 45 L CA 1.525 56.368 54.840 0.005 0.000 0.755 45 L CB -1.064 41.007 42.059 0.020 0.000 0.904 45 L HN 0.298 nan 8.230 nan 0.000 0.435 46 T N -1.011 113.547 114.554 0.007 0.000 2.737 46 T HA -0.201 4.150 4.350 0.001 0.000 0.265 46 T C 1.897 176.607 174.700 0.016 0.000 1.038 46 T CA 1.176 63.313 62.100 0.062 0.000 1.144 46 T CB -0.165 68.780 68.868 0.127 0.000 0.866 46 T HN 0.370 nan 8.240 nan 0.000 0.434 47 Q N 0.313 119.969 119.800 -0.241 0.000 2.084 47 Q HA -0.062 4.279 4.340 0.001 0.000 0.202 47 Q C 2.600 178.554 176.000 -0.077 0.000 0.978 47 Q CA 1.092 56.660 55.803 -0.393 0.000 0.844 47 Q CB -0.422 27.997 28.738 -0.531 0.000 0.898 47 Q HN 0.353 nan 8.270 nan 0.000 0.426 48 V N 0.570 120.465 119.914 -0.031 0.000 2.427 48 V HA -0.232 3.889 4.120 0.001 0.000 0.248 48 V C 2.167 178.322 176.094 0.101 0.000 1.051 48 V CA 2.085 64.409 62.300 0.039 0.000 1.048 48 V CB -0.682 31.157 31.823 0.026 0.000 0.666 48 V HN 0.416 nan 8.190 nan 0.000 0.456 49 T N -0.111 114.499 114.554 0.093 0.000 2.737 49 T HA -0.128 4.223 4.350 0.001 0.000 0.265 49 T C 1.935 176.782 174.700 0.246 0.000 1.038 49 T CA 1.622 63.804 62.100 0.136 0.000 1.144 49 T CB -0.132 68.793 68.868 0.096 0.000 0.866 49 T HN 0.288 nan 8.240 nan 0.000 0.434 50 V N 2.293 122.353 119.914 0.243 0.000 2.379 50 V HA -0.152 3.969 4.120 0.001 0.000 0.245 50 V C 3.015 179.256 176.094 0.245 0.000 1.044 50 V CA 2.065 64.529 62.300 0.273 0.000 1.036 50 V CB -1.333 30.739 31.823 0.415 0.000 0.664 50 V HN 0.716 nan 8.190 nan 0.000 0.453 51 T N -1.590 113.105 114.554 0.236 0.000 2.867 51 T HA -0.208 4.143 4.350 0.001 0.000 0.268 51 T C 1.806 176.609 174.700 0.172 0.000 1.057 51 T CA 1.494 63.709 62.100 0.191 0.000 1.136 51 T CB -0.594 68.374 68.868 0.168 0.000 0.874 51 T HN 0.384 nan 8.240 nan 0.000 0.466 52 F N 2.977 122.957 119.950 0.050 0.000 2.069 52 F HA 0.092 4.619 4.527 0.001 0.000 0.298 52 F C 2.622 178.436 175.800 0.023 0.000 1.113 52 F CA 1.098 59.109 58.000 0.018 0.000 1.214 52 F CB -0.970 38.039 39.000 0.014 0.000 0.978 52 F HN 0.257 nan 8.300 nan 0.000 0.474 53 A N 0.647 123.506 122.820 0.064 0.000 1.883 53 A HA -0.201 4.120 4.320 0.001 0.000 0.217 53 A C 2.149 179.682 177.584 -0.084 0.000 1.186 53 A CA 1.839 53.843 52.037 -0.055 0.000 0.624 53 A CB -1.434 17.624 19.000 0.096 0.000 0.822 53 A HN 0.543 nan 8.150 nan 0.000 0.444 54 L N 0.035 121.261 121.223 0.004 0.000 2.013 54 L HA -0.151 4.190 4.340 0.001 0.000 0.212 54 L C 2.389 179.239 176.870 -0.033 0.000 1.073 54 L CA 2.178 57.027 54.840 0.015 0.000 0.753 54 L CB -0.620 41.485 42.059 0.076 0.000 0.890 54 L HN 0.164 nan 8.230 nan 0.000 0.432 55 V N -1.365 118.505 119.914 -0.072 0.000 2.358 55 V HA -0.315 3.806 4.120 0.001 0.000 0.246 55 V C 2.655 178.673 176.094 -0.128 0.000 1.047 55 V CA 1.665 63.911 62.300 -0.091 0.000 1.035 55 V CB -0.757 30.993 31.823 -0.121 0.000 0.658 55 V HN 0.642 nan 8.190 nan 0.000 0.452 56 C N -0.034 119.105 119.300 -0.269 0.000 2.401 56 C HA -0.183 4.278 4.460 0.001 0.000 0.276 56 C C 2.588 177.537 174.990 -0.067 0.000 1.233 56 C CA 0.755 59.636 59.018 -0.228 0.000 1.753 56 C CB -0.983 26.537 27.740 -0.367 0.000 2.029 56 C HN 0.469 nan 8.230 nan 0.000 0.478 57 I N 0.581 121.107 120.570 -0.073 0.000 2.233 57 I HA -0.100 4.070 4.170 0.001 0.000 0.243 57 I C 2.394 178.471 176.117 -0.067 0.000 1.093 57 I CA 1.600 62.874 61.300 -0.044 0.000 1.380 57 I CB -1.468 36.517 38.000 -0.026 0.000 1.067 57 I HN 0.344 nan 8.210 nan 0.000 0.413 58 L N -0.763 120.402 121.223 -0.098 0.000 2.127 58 L HA -0.247 4.093 4.340 0.001 0.000 0.211 58 L C 2.617 179.259 176.870 -0.380 0.000 1.089 58 L CA 1.397 56.053 54.840 -0.307 0.000 0.757 58 L CB -0.582 41.334 42.059 -0.238 0.000 0.899 58 L HN 0.446 nan 8.230 nan 0.000 0.434 59 W N 0.386 121.513 121.300 -0.289 0.000 2.355 59 W HA -0.189 4.471 4.660 0.001 0.000 0.309 59 W C 2.205 178.663 176.519 -0.102 0.000 1.206 59 W CA 1.599 58.843 57.345 -0.168 0.000 1.284 59 W CB 0.052 29.449 29.460 -0.105 0.000 1.145 59 W HN -0.071 nan 8.180 nan 0.000 0.502 60 V N 0.454 120.352 119.914 -0.026 0.000 2.358 60 V HA -0.289 3.832 4.120 0.001 0.000 0.246 60 V C 2.164 178.195 176.094 -0.106 0.000 1.047 60 V CA 1.570 63.811 62.300 -0.099 0.000 1.035 60 V CB -0.986 30.805 31.823 -0.053 0.000 0.658 60 V HN 0.014 nan 8.190 nan 0.000 0.452 61 V N 0.200 120.051 119.914 -0.105 0.000 2.237 61 V HA -0.240 3.880 4.120 0.001 0.000 0.245 61 V C 1.961 178.078 176.094 0.038 0.000 1.046 61 V CA 2.924 65.209 62.300 -0.025 0.000 1.007 61 V CB -0.599 31.238 31.823 0.024 0.000 0.638 61 V HN 0.872 nan 8.190 nan 0.000 0.445 62 Y N -2.121 118.162 120.300 -0.029 0.000 2.491 62 Y HA 0.565 5.116 4.550 0.002 0.000 0.276 62 Y C 1.881 177.709 175.900 -0.120 0.000 1.041 62 Y CA 0.311 58.382 58.100 -0.048 0.000 1.191 62 Y CB -0.564 37.871 38.460 -0.042 0.000 1.365 62 Y HN -0.012 nan 8.280 nan 0.000 0.566 63 G N 1.155 109.663 108.800 -0.487 0.000 2.433 63 G HA2 -0.339 3.622 3.960 0.001 0.000 0.216 63 G HA3 -0.339 3.622 3.960 0.001 0.000 0.216 63 G C 1.432 175.868 174.900 -0.774 0.000 1.186 63 G CA 1.465 46.304 45.100 -0.436 0.000 0.779 63 G HN 0.500 nan 8.290 nan 0.000 0.543 64 Y N 1.663 121.141 120.300 -1.372 0.000 2.128 64 Y HA -0.157 4.394 4.550 0.001 0.000 0.284 64 Y C 3.144 178.980 175.900 -0.107 0.000 1.154 64 Y CA 1.902 59.388 58.100 -1.023 0.000 1.149 64 Y CB -0.607 37.383 38.460 -0.783 0.000 0.976 64 Y HN 0.241 nan 8.280 nan 0.000 0.505 65 S N -0.099 115.621 115.700 0.034 0.000 2.359 65 S HA -0.208 4.262 4.470 0.001 0.000 0.224 65 S C 2.069 176.634 174.600 -0.058 0.000 1.035 65 S CA 1.785 60.073 58.200 0.147 0.000 1.018 65 S CB -0.644 62.681 63.200 0.208 0.000 0.876 65 S HN 0.559 nan 8.310 nan 0.000 0.448 66 L N 0.319 121.506 121.223 -0.060 0.000 2.240 66 L HA 0.058 4.399 4.340 0.001 0.000 0.211 66 L C 2.657 179.458 176.870 -0.114 0.000 1.106 66 L CA 0.935 55.736 54.840 -0.063 0.000 0.793 66 L CB -0.451 41.606 42.059 -0.003 0.000 0.927 66 L HN 0.446 nan 8.230 nan 0.000 0.446 67 A N -0.908 121.825 122.820 -0.145 0.000 1.911 67 A HA -0.028 4.293 4.320 0.001 0.000 0.212 67 A C 1.578 178.922 177.584 -0.401 0.000 1.189 67 A CA 0.972 52.872 52.037 -0.228 0.000 0.639 67 A CB -0.217 18.706 19.000 -0.129 0.000 0.839 67 A HN 0.357 nan 8.150 nan 0.000 0.449 68 F N -0.357 119.540 119.950 -0.087 0.000 2.728 68 F HA 0.315 4.843 4.527 0.002 0.000 0.314 68 F C 1.615 177.422 175.800 0.012 0.000 1.094 68 F CA -0.315 57.668 58.000 -0.028 0.000 1.217 68 F CB 0.025 38.923 39.000 -0.170 0.000 1.056 68 F HN 0.214 nan 8.300 nan 0.000 0.577 69 G N 0.542 109.287 108.800 -0.092 0.000 2.667 69 G HA2 0.107 4.068 3.960 0.001 0.000 0.250 69 G HA3 0.107 4.068 3.960 0.001 0.000 0.250 69 G C -0.498 174.283 174.900 -0.200 0.000 1.212 69 G CA -0.358 44.432 45.100 -0.517 0.000 0.874 69 G HN 0.160 nan 8.290 nan 0.000 0.561 70 E N -0.325 119.725 120.200 -0.250 0.000 2.283 70 E HA 0.491 4.841 4.350 0.001 0.000 0.278 70 E C 0.549 177.077 176.600 -0.120 0.000 1.027 70 E CA 0.123 56.468 56.400 -0.092 0.000 0.843 70 E CB 1.013 30.663 29.700 -0.085 0.000 1.062 70 E HN 0.515 nan 8.360 nan 0.000 0.401 71 G N 3.830 112.581 108.800 -0.081 0.000 3.385 71 G HA2 0.088 4.049 3.960 0.001 0.000 0.179 71 G HA3 0.088 4.049 3.960 0.001 0.000 0.179 71 G C -0.422 174.373 174.900 -0.175 0.000 1.433 71 G CA 0.065 45.060 45.100 -0.174 0.000 1.086 71 G HN 0.638 nan 8.290 nan 0.000 0.763 72 N N -0.929 117.601 118.700 -0.284 0.000 3.255 72 N HA 0.283 5.024 4.740 0.001 0.000 0.359 72 N C 0.518 175.922 175.510 -0.176 0.000 1.463 72 N CA -0.621 52.289 53.050 -0.233 0.000 0.695 72 N CB 0.298 38.601 38.487 -0.307 0.000 1.581 72 N HN 0.113 nan 8.380 nan 0.000 0.622 73 N N -1.192 117.325 118.700 -0.306 0.000 2.459 73 N HA 0.065 4.806 4.740 0.001 0.000 0.181 73 N C 0.112 175.196 175.510 -0.710 0.000 1.046 73 N CA 0.984 53.683 53.050 -0.584 0.000 0.904 73 N CB -0.173 37.788 38.487 -0.876 0.000 0.964 73 N HN 0.428 nan 8.380 nan 0.000 0.444 74 F N -1.024 118.855 119.950 -0.118 0.000 2.619 74 F HA 0.242 4.771 4.527 0.003 0.000 0.281 74 F C 0.423 176.147 175.800 -0.128 0.000 1.065 74 F CA -0.420 57.529 58.000 -0.085 0.000 1.304 74 F CB 0.140 39.175 39.000 0.058 0.000 1.059 74 F HN -0.190 nan 8.300 nan 0.000 0.648 75 F N -1.516 118.284 119.950 -0.249 0.000 2.664 75 F HA 0.854 5.381 4.527 0.001 0.000 0.317 75 F C 0.479 175.644 175.800 -1.059 0.000 1.108 75 F CA -1.700 55.891 58.000 -0.683 0.000 0.957 75 F CB 0.342 39.186 39.000 -0.260 0.000 1.365 75 F HN -0.054 nan 8.300 nan 0.000 0.475 76 G N 0.666 109.083 108.800 -0.638 0.000 3.197 76 G HA2 0.395 4.356 3.960 0.001 0.000 0.167 76 G HA3 0.395 4.356 3.960 0.001 0.000 0.167 76 G C -0.888 173.957 174.900 -0.092 0.000 1.914 76 G CA 0.305 45.191 45.100 -0.357 0.000 0.956 76 G HN 1.063 nan 8.290 nan 0.000 0.480 77 N N -2.027 116.602 118.700 -0.119 0.000 3.316 77 N HA 0.381 5.122 4.740 0.001 0.000 0.300 77 N C -0.034 175.419 175.510 -0.095 0.000 1.567 77 N CA -0.470 52.526 53.050 -0.091 0.000 0.821 77 N CB 0.942 39.324 38.487 -0.175 0.000 1.748 77 N HN 0.563 nan 8.380 nan 0.000 0.603 78 I N -3.908 116.615 120.570 -0.079 0.000 3.877 78 I HA 0.439 4.609 4.170 0.001 0.000 0.332 78 I C -0.299 175.803 176.117 -0.025 0.000 1.525 78 I CA -0.518 60.760 61.300 -0.037 0.000 1.146 78 I CB -0.536 37.443 38.000 -0.034 0.000 1.137 78 I HN 0.376 nan 8.210 nan 0.000 0.424 79 N N 0.694 119.326 118.700 -0.113 0.000 2.459 79 N HA -0.037 4.703 4.740 0.001 0.000 0.181 79 N C 0.177 175.749 175.510 0.103 0.000 1.046 79 N CA 0.666 53.659 53.050 -0.095 0.000 0.904 79 N CB 0.074 38.401 38.487 -0.267 0.000 0.964 79 N HN 0.498 nan 8.380 nan 0.000 0.444 80 W N 1.302 122.636 121.300 0.058 0.000 2.616 80 W HA 0.373 5.034 4.660 0.001 0.000 0.419 80 W C -0.516 176.035 176.519 0.054 0.000 0.835 80 W CA -1.253 56.139 57.345 0.077 0.000 2.483 80 W CB -1.018 28.528 29.460 0.144 0.000 1.289 80 W HN -0.054 nan 8.180 nan 0.000 0.755 81 L N 2.209 123.565 121.223 0.221 0.000 2.615 81 L HA -0.050 4.290 4.340 0.001 0.000 0.271 81 L C 1.214 178.152 176.870 0.114 0.000 1.183 81 L CA 0.869 55.797 54.840 0.147 0.000 0.933 81 L CB 0.143 42.267 42.059 0.108 0.000 1.199 81 L HN 0.060 nan 8.230 nan 0.000 0.487 82 M N 5.115 124.759 119.600 0.073 0.000 2.576 82 M HA -0.260 4.220 4.480 0.001 0.000 0.200 82 M C 0.708 177.015 176.300 0.012 0.000 0.487 82 M CA 0.664 55.981 55.300 0.029 0.000 0.553 82 M CB -1.657 30.967 32.600 0.040 0.000 2.042 82 M HN 0.756 nan 8.290 nan 0.000 0.758 83 L N -2.203 119.028 121.223 0.013 0.000 4.429 83 L HA -0.261 4.080 4.340 0.001 0.000 0.422 83 L C 0.852 177.747 176.870 0.042 0.000 1.149 83 L CA 1.200 56.005 54.840 -0.057 0.000 0.972 83 L CB -1.487 40.404 42.059 -0.280 0.000 2.059 83 L HN 0.585 nan 8.230 nan 0.000 0.870 84 K N 1.674 122.146 120.400 0.120 0.000 2.524 84 K HA -0.035 4.285 4.320 0.001 0.000 0.279 84 K C 1.184 177.911 176.600 0.211 0.000 0.993 84 K CA 0.830 57.203 56.287 0.144 0.000 1.030 84 K CB 0.294 32.878 32.500 0.140 0.000 0.891 84 K HN 0.344 nan 8.250 nan 0.000 0.488 85 N N 1.167 119.967 118.700 0.166 0.000 2.936 85 N HA -0.217 4.524 4.740 0.001 0.000 0.236 85 N C -0.676 174.924 175.510 0.150 0.000 0.930 85 N CA 1.257 54.425 53.050 0.198 0.000 0.966 85 N CB -1.236 37.432 38.487 0.302 0.000 1.090 85 N HN 0.551 nan 8.380 nan 0.000 0.592 86 I N 2.089 122.672 120.570 0.022 0.000 2.291 86 I HA 0.070 4.241 4.170 0.001 0.000 0.292 86 I C 0.754 176.909 176.117 0.062 0.000 1.064 86 I CA -0.301 60.961 61.300 -0.064 0.000 1.269 86 I CB 0.586 38.452 38.000 -0.224 0.000 1.418 86 I HN -0.130 nan 8.210 nan 0.000 0.485 87 E N 4.485 124.708 120.200 0.038 0.000 2.413 87 E HA -0.052 4.299 4.350 0.001 0.000 0.263 87 E C 0.884 177.449 176.600 -0.058 0.000 1.015 87 E CA -0.221 56.181 56.400 0.003 0.000 0.916 87 E CB 1.455 31.161 29.700 0.010 0.000 0.947 87 E HN 0.458 nan 8.360 nan 0.000 0.440 88 L N 3.795 124.905 121.223 -0.189 0.000 2.043 88 L HA -0.222 4.119 4.340 0.001 0.000 0.212 88 L C 2.138 178.814 176.870 -0.323 0.000 1.075 88 L CA 2.593 57.176 54.840 -0.428 0.000 0.752 88 L CB -0.984 40.825 42.059 -0.416 0.000 0.891 88 L HN 0.710 nan 8.230 nan 0.000 0.432 89 T N -2.611 111.848 114.554 -0.159 0.000 3.169 89 T HA 0.408 4.758 4.350 0.001 0.000 0.250 89 T C 0.819 175.636 174.700 0.195 0.000 1.111 89 T CA 0.106 62.208 62.100 0.002 0.000 1.010 89 T CB -0.776 68.113 68.868 0.034 0.000 0.984 89 T HN 0.417 nan 8.240 nan 0.000 0.537 90 A N 1.325 124.212 122.820 0.112 0.000 2.511 90 A HA 0.522 4.843 4.320 0.001 0.000 0.242 90 A C 0.223 177.891 177.584 0.140 0.000 1.069 90 A CA -0.335 51.762 52.037 0.101 0.000 0.763 90 A CB 0.103 19.131 19.000 0.047 0.000 1.001 90 A HN 0.389 nan 8.150 nan 0.000 0.498 91 V N 3.195 123.139 119.914 0.049 0.000 2.547 91 V HA 0.602 4.723 4.120 0.001 0.000 0.299 91 V C -0.035 176.027 176.094 -0.053 0.000 1.040 91 V CA -0.388 61.888 62.300 -0.040 0.000 0.913 91 V CB 1.535 33.294 31.823 -0.108 0.000 0.992 91 V HN 0.984 nan 8.190 nan 0.000 0.449 92 M N 4.351 123.895 119.600 -0.094 0.000 2.106 92 M HA 0.708 5.189 4.480 0.001 0.000 0.288 92 M C 0.287 176.502 176.300 -0.142 0.000 0.941 92 M CA 1.022 56.237 55.300 -0.142 0.000 0.934 92 M CB 0.919 33.360 32.600 -0.266 0.000 1.551 92 M HN 1.086 nan 8.290 nan 0.000 0.437 93 G N 3.163 111.900 108.800 -0.106 0.000 2.557 93 G HA2 -0.297 3.664 3.960 0.001 0.000 0.292 93 G HA3 -0.297 3.664 3.960 0.001 0.000 0.292 93 G C 0.298 175.145 174.900 -0.089 0.000 1.162 93 G CA 0.627 45.676 45.100 -0.084 0.000 0.964 93 G HN 1.689 nan 8.290 nan 0.000 0.541 94 S N 0.338 115.980 115.700 -0.096 0.000 2.855 94 S HA 0.632 5.102 4.470 0.001 0.000 0.249 94 S C 0.436 174.940 174.600 -0.161 0.000 1.033 94 S CA 0.509 58.640 58.200 -0.115 0.000 1.038 94 S CB -0.433 62.717 63.200 -0.084 0.000 0.960 94 S HN 1.714 nan 8.310 nan 0.000 0.548 95 I N -2.652 117.817 120.570 -0.168 0.000 2.934 95 I HA 0.692 4.863 4.170 0.001 0.000 0.306 95 I C -1.051 174.940 176.117 -0.210 0.000 1.110 95 I CA -1.789 59.394 61.300 -0.195 0.000 1.019 95 I CB 0.869 38.821 38.000 -0.079 0.000 1.227 95 I HN -0.124 nan 8.210 nan 0.000 0.434 96 Y N 2.029 122.322 120.300 -0.013 0.000 2.712 96 Y HA -0.019 4.532 4.550 0.001 0.000 0.333 96 Y C 1.732 177.642 175.900 0.015 0.000 1.225 96 Y CA 0.504 58.599 58.100 -0.008 0.000 1.499 96 Y CB 0.399 38.851 38.460 -0.013 0.000 1.288 96 Y HN 0.688 nan 8.280 nan 0.000 0.575 97 Q N 1.975 121.879 119.800 0.174 0.000 2.181 97 Q HA -0.249 4.091 4.340 0.001 0.000 0.205 97 Q C 1.199 177.243 176.000 0.073 0.000 0.980 97 Q CA 1.651 57.496 55.803 0.071 0.000 0.862 97 Q CB -0.181 28.538 28.738 -0.033 0.000 0.905 97 Q HN 0.853 nan 8.270 nan 0.000 0.429 98 Y N 0.358 120.619 120.300 -0.065 0.000 2.207 98 Y HA -0.236 4.315 4.550 0.001 0.000 0.287 98 Y C 1.887 177.752 175.900 -0.057 0.000 1.156 98 Y CA 1.311 59.347 58.100 -0.107 0.000 1.182 98 Y CB -0.118 38.287 38.460 -0.091 0.000 0.979 98 Y HN 0.190 nan 8.280 nan 0.000 0.521 99 I N -1.505 119.162 120.570 0.162 0.000 2.315 99 I HA -0.318 3.853 4.170 0.001 0.000 0.248 99 I C 2.599 178.762 176.117 0.076 0.000 1.117 99 I CA 1.417 62.780 61.300 0.104 0.000 1.404 99 I CB -0.568 37.493 38.000 0.103 0.000 1.071 99 I HN 0.308 nan 8.210 nan 0.000 0.419 100 H N 1.171 120.219 119.070 -0.037 0.000 2.319 100 H HA -0.151 4.405 4.556 0.001 0.000 0.299 100 H C 2.342 177.630 175.328 -0.066 0.000 1.092 100 H CA 2.106 58.121 56.048 -0.054 0.000 1.302 100 H CB 0.157 29.876 29.762 -0.072 0.000 1.373 100 H HN 0.108 nan 8.280 nan 0.000 0.497 101 V N 1.355 121.123 119.914 -0.243 0.000 2.252 101 V HA -0.320 3.801 4.120 0.001 0.000 0.249 101 V C 3.050 179.133 176.094 -0.018 0.000 1.056 101 V CA 1.925 63.965 62.300 -0.433 0.000 1.022 101 V CB -1.231 30.127 31.823 -0.775 0.000 0.641 101 V HN 0.601 nan 8.190 nan 0.000 0.445 102 A N -0.909 121.887 122.820 -0.041 0.000 1.898 102 A HA -0.192 4.129 4.320 0.001 0.000 0.216 102 A C 2.101 179.688 177.584 0.004 0.000 1.181 102 A CA 1.832 53.869 52.037 0.001 0.000 0.620 102 A CB -0.673 18.342 19.000 0.025 0.000 0.819 102 A HN 0.498 nan 8.150 nan 0.000 0.442 103 F N 0.726 120.599 119.950 -0.129 0.000 2.075 103 F HA -0.203 4.325 4.527 0.001 0.000 0.297 103 F C 2.552 178.253 175.800 -0.166 0.000 1.113 103 F CA 2.176 60.093 58.000 -0.138 0.000 1.218 103 F CB -0.224 38.657 39.000 -0.198 0.000 0.984 103 F HN 0.200 nan 8.300 nan 0.000 0.472 104 Q N 0.216 119.857 119.800 -0.266 0.000 2.084 104 Q HA -0.106 4.234 4.340 0.001 0.000 0.202 104 Q C 2.567 178.270 176.000 -0.495 0.000 0.978 104 Q CA 1.452 57.055 55.803 -0.334 0.000 0.844 104 Q CB -1.430 27.239 28.738 -0.116 0.000 0.898 104 Q HN 0.568 nan 8.270 nan 0.000 0.426 105 G N 1.134 109.536 108.800 -0.664 0.000 2.432 105 G HA2 -0.269 3.692 3.960 0.001 0.000 0.219 105 G HA3 -0.269 3.692 3.960 0.001 0.000 0.219 105 G C 1.659 176.111 174.900 -0.747 0.000 1.135 105 G CA 1.403 45.648 45.100 -1.426 0.000 0.767 105 G HN 0.516 nan 8.290 nan 0.000 0.550 106 S N 0.146 115.602 115.700 -0.407 0.000 2.423 106 S HA -0.019 4.452 4.470 0.001 0.000 0.231 106 S C 2.035 176.452 174.600 -0.305 0.000 1.014 106 S CA 0.921 58.959 58.200 -0.271 0.000 0.965 106 S CB -0.470 62.615 63.200 -0.191 0.000 0.785 106 S HN 0.180 nan 8.310 nan 0.000 0.495 107 F N 2.485 122.128 119.950 -0.511 0.000 2.163 107 F HA 0.266 4.793 4.527 0.001 0.000 0.297 107 F C 2.875 178.434 175.800 -0.402 0.000 1.094 107 F CA 0.288 58.073 58.000 -0.358 0.000 1.290 107 F CB -1.100 37.734 39.000 -0.277 0.000 1.017 107 F HN 0.298 nan 8.300 nan 0.000 0.483 108 A N -0.809 121.675 122.820 -0.560 0.000 1.908 108 A HA -0.231 4.090 4.320 0.001 0.000 0.218 108 A C 2.358 179.630 177.584 -0.520 0.000 1.181 108 A CA 1.990 53.417 52.037 -1.017 0.000 0.627 108 A CB -1.519 16.809 19.000 -1.120 0.000 0.818 108 A HN 0.479 nan 8.150 nan 0.000 0.445 109 C N -1.382 117.702 119.300 -0.360 0.000 2.432 109 C HA -0.081 4.380 4.460 0.001 0.000 0.277 109 C C 2.476 177.429 174.990 -0.062 0.000 1.249 109 C CA 1.055 59.993 59.018 -0.133 0.000 1.725 109 C CB -1.267 26.472 27.740 -0.001 0.000 2.028 109 C HN 0.694 nan 8.230 nan 0.000 0.477 110 I N 1.313 121.799 120.570 -0.139 0.000 2.286 110 I HA -0.162 4.009 4.170 0.001 0.000 0.248 110 I C 2.333 178.368 176.117 -0.138 0.000 1.115 110 I CA 1.873 63.077 61.300 -0.159 0.000 1.392 110 I CB -0.722 37.107 38.000 -0.285 0.000 1.065 110 I HN 0.308 nan 8.210 nan 0.000 0.418 111 T N -0.177 114.294 114.554 -0.138 0.000 2.652 111 T HA -0.157 4.194 4.350 0.001 0.000 0.267 111 T C 2.039 176.766 174.700 0.045 0.000 1.039 111 T CA 1.929 64.005 62.100 -0.040 0.000 1.153 111 T CB -0.602 68.307 68.868 0.068 0.000 0.863 111 T HN 0.212 nan 8.240 nan 0.000 0.428 112 V N 1.462 121.407 119.914 0.051 0.000 2.343 112 V HA -0.102 4.019 4.120 0.001 0.000 0.247 112 V C 2.897 179.039 176.094 0.080 0.000 1.051 112 V CA 1.919 64.271 62.300 0.086 0.000 1.036 112 V CB -1.438 30.444 31.823 0.099 0.000 0.654 112 V HN 0.623 nan 8.190 nan 0.000 0.451 113 G N 0.083 108.928 108.800 0.075 0.000 2.469 113 G HA2 -0.265 3.695 3.960 0.001 0.000 0.219 113 G HA3 -0.265 3.695 3.960 0.001 0.000 0.219 113 G C 1.555 176.554 174.900 0.166 0.000 1.150 113 G CA 1.223 46.382 45.100 0.098 0.000 0.763 113 G HN 0.481 nan 8.290 nan 0.000 0.561 114 L N -0.125 121.198 121.223 0.167 0.000 2.079 114 L HA -0.086 4.254 4.340 0.001 0.000 0.210 114 L C 2.862 179.976 176.870 0.406 0.000 1.081 114 L CA 0.908 55.945 54.840 0.328 0.000 0.752 114 L CB -0.414 41.756 42.059 0.185 0.000 0.896 114 L HN 0.253 nan 8.230 nan 0.000 0.433 115 I N -1.236 119.473 120.570 0.232 0.000 2.235 115 I HA -0.182 3.989 4.170 0.001 0.000 0.241 115 I C 2.409 178.574 176.117 0.081 0.000 1.085 115 I CA 0.716 62.125 61.300 0.181 0.000 1.378 115 I CB -0.257 37.714 38.000 -0.050 0.000 1.076 115 I HN -0.055 nan 8.210 nan 0.000 0.415 116 V N 1.209 121.141 119.914 0.031 0.000 2.427 116 V HA -0.160 3.960 4.120 0.001 0.000 0.248 116 V C 2.602 178.609 176.094 -0.144 0.000 1.051 116 V CA 2.057 64.339 62.300 -0.030 0.000 1.048 116 V CB -1.384 30.450 31.823 0.018 0.000 0.666 116 V HN 0.576 nan 8.190 nan 0.000 0.456 117 G N -0.403 108.278 108.800 -0.198 0.000 2.450 117 G HA2 -0.191 3.770 3.960 0.001 0.000 0.220 117 G HA3 -0.191 3.770 3.960 0.001 0.000 0.220 117 G C 1.665 175.984 174.900 -0.968 0.000 1.130 117 G CA 1.149 45.987 45.100 -0.438 0.000 0.760 117 G HN 0.610 nan 8.290 nan 0.000 0.557 118 A N 0.092 122.314 122.820 -0.997 0.000 1.903 118 A HA 0.361 4.682 4.320 0.001 0.000 0.213 118 A C 2.239 179.669 177.584 -0.256 0.000 1.185 118 A CA 0.613 52.225 52.037 -0.707 0.000 0.628 118 A CB -0.164 18.552 19.000 -0.474 0.000 0.830 118 A HN 0.296 nan 8.150 nan 0.000 0.446 119 L N -0.534 120.605 121.223 -0.139 0.000 2.509 119 L HA 0.071 4.412 4.340 0.001 0.000 0.222 119 L C 2.774 179.568 176.870 -0.127 0.000 1.123 119 L CA 0.437 55.217 54.840 -0.100 0.000 0.856 119 L CB -0.279 41.725 42.059 -0.093 0.000 0.985 119 L HN 0.417 nan 8.230 nan 0.000 0.456 120 A N 0.487 123.215 122.820 -0.154 0.000 1.892 120 A HA -0.279 4.042 4.320 0.001 0.000 0.218 120 A C 2.134 179.639 177.584 -0.131 0.000 1.188 120 A CA 1.899 53.843 52.037 -0.155 0.000 0.631 120 A CB -0.446 18.453 19.000 -0.169 0.000 0.822 120 A HN 0.441 nan 8.150 nan 0.000 0.447 121 E N -0.967 119.165 120.200 -0.114 0.000 2.169 121 E HA -0.262 4.089 4.350 0.001 0.000 0.202 121 E C 1.917 178.469 176.600 -0.080 0.000 1.016 121 E CA 1.735 58.083 56.400 -0.088 0.000 0.817 121 E CB -0.099 29.554 29.700 -0.078 0.000 0.736 121 E HN 0.652 nan 8.360 nan 0.000 0.462 122 R N -0.788 119.660 120.500 -0.087 0.000 2.404 122 R HA 0.333 4.674 4.340 0.001 0.000 0.237 122 R C 0.451 176.702 176.300 -0.081 0.000 0.907 122 R CA -0.142 55.909 56.100 -0.082 0.000 1.063 122 R CB 0.968 31.212 30.300 -0.092 0.000 1.134 122 R HN 0.043 nan 8.270 nan 0.000 0.529 123 I N 1.033 121.555 120.570 -0.080 0.000 2.474 123 I HA 0.283 4.454 4.170 0.001 0.000 0.294 123 I C -0.204 175.898 176.117 -0.025 0.000 1.005 123 I CA -1.311 59.954 61.300 -0.059 0.000 1.113 123 I CB 1.365 39.325 38.000 -0.067 0.000 1.289 123 I HN 0.011 nan 8.210 nan 0.000 0.436 124 R N 4.528 125.037 120.500 0.015 0.000 2.640 124 R HA -0.051 4.290 4.340 0.001 0.000 0.270 124 R C 0.417 176.798 176.300 0.135 0.000 1.024 124 R CA 0.181 56.322 56.100 0.068 0.000 1.085 124 R CB 0.409 30.752 30.300 0.071 0.000 0.963 124 R HN 0.675 nan 8.270 nan 0.000 0.426 125 F N 2.420 122.385 119.950 0.025 0.000 2.046 125 F HA -0.243 4.284 4.527 0.001 0.000 0.297 125 F C 2.488 178.318 175.800 0.049 0.000 1.123 125 F CA 2.380 60.401 58.000 0.036 0.000 1.199 125 F CB -0.710 38.308 39.000 0.031 0.000 0.972 125 F HN 0.721 nan 8.300 nan 0.000 0.474 126 S N 0.356 116.243 115.700 0.313 0.000 2.400 126 S HA -0.168 4.302 4.470 0.001 0.000 0.232 126 S C 2.246 176.951 174.600 0.176 0.000 1.025 126 S CA 0.983 59.290 58.200 0.178 0.000 0.993 126 S CB -1.229 62.023 63.200 0.088 0.000 0.808 126 S HN 0.399 nan 8.310 nan 0.000 0.478 127 A N 1.114 124.033 122.820 0.165 0.000 1.933 127 A HA 0.080 4.401 4.320 0.001 0.000 0.218 127 A C 2.422 180.127 177.584 0.203 0.000 1.175 127 A CA 1.419 53.549 52.037 0.155 0.000 0.628 127 A CB -1.117 17.953 19.000 0.116 0.000 0.814 127 A HN 0.522 nan 8.150 nan 0.000 0.444 128 V N 0.021 120.057 119.914 0.202 0.000 2.427 128 V HA -0.170 3.951 4.120 0.001 0.000 0.248 128 V C 2.377 178.635 176.094 0.274 0.000 1.051 128 V CA 1.865 64.296 62.300 0.219 0.000 1.048 128 V CB -0.405 31.481 31.823 0.105 0.000 0.666 128 V HN 0.594 nan 8.190 nan 0.000 0.456 129 L N -0.663 120.723 121.223 0.271 0.000 2.017 129 L HA -0.179 4.162 4.340 0.001 0.000 0.208 129 L C 2.376 179.350 176.870 0.174 0.000 1.073 129 L CA 1.942 56.917 54.840 0.225 0.000 0.745 129 L CB -0.535 41.642 42.059 0.198 0.000 0.894 129 L HN 0.273 nan 8.230 nan 0.000 0.432 130 I N -0.780 119.890 120.570 0.166 0.000 2.179 130 I HA -0.341 3.829 4.170 0.001 0.000 0.242 130 I C 2.529 178.722 176.117 0.127 0.000 1.088 130 I CA 1.527 62.904 61.300 0.128 0.000 1.357 130 I CB -0.327 37.743 38.000 0.117 0.000 1.051 130 I HN 0.155 nan 8.210 nan 0.000 0.409 131 F N 1.343 121.318 119.950 0.042 0.000 2.095 131 F HA -0.217 4.310 4.527 0.000 0.000 0.298 131 F C 2.368 178.200 175.800 0.053 0.000 1.104 131 F CA 1.666 59.654 58.000 -0.019 0.000 1.232 131 F CB -0.505 38.431 39.000 -0.106 0.000 0.987 131 F HN -0.236 nan 8.300 nan 0.000 0.475 132 V N -0.011 119.940 119.914 0.062 0.000 2.332 132 V HA -0.329 3.791 4.120 0.001 0.000 0.248 132 V C 2.431 178.531 176.094 0.010 0.000 1.055 132 V CA 1.768 64.084 62.300 0.027 0.000 1.038 132 V CB -0.839 31.082 31.823 0.162 0.000 0.651 132 V HN 0.335 nan 8.190 nan 0.000 0.450 133 V N -0.394 119.545 119.914 0.042 0.000 2.261 133 V HA -0.240 3.881 4.120 0.001 0.000 0.246 133 V C 2.397 178.507 176.094 0.026 0.000 1.047 133 V CA 2.095 64.436 62.300 0.068 0.000 1.015 133 V CB -0.493 31.380 31.823 0.084 0.000 0.642 133 V HN 0.411 nan 8.190 nan 0.000 0.446 134 V N -1.426 118.461 119.914 -0.045 0.000 2.295 134 V HA -0.285 3.836 4.120 0.001 0.000 0.246 134 V C 1.962 178.005 176.094 -0.085 0.000 1.049 134 V CA 2.498 64.758 62.300 -0.067 0.000 1.024 134 V CB -0.674 31.103 31.823 -0.077 0.000 0.648 134 V HN 0.790 nan 8.190 nan 0.000 0.447 135 W N 0.031 121.067 121.300 -0.440 0.000 2.453 135 W HA -0.036 4.624 4.660 0.000 0.000 0.289 135 W C 2.137 178.585 176.519 -0.120 0.000 1.215 135 W CA 1.197 58.300 57.345 -0.404 0.000 1.297 135 W CB -0.091 28.821 29.460 -0.914 0.000 1.113 135 W HN 0.194 nan 8.180 nan 0.000 0.551 136 L N 0.445 121.719 121.223 0.086 0.000 2.042 136 L HA -0.190 4.150 4.340 0.001 0.000 0.210 136 L C 2.233 179.132 176.870 0.048 0.000 1.076 136 L CA 2.679 57.562 54.840 0.071 0.000 0.749 136 L CB -1.059 41.091 42.059 0.152 0.000 0.893 136 L HN -0.112 nan 8.230 nan 0.000 0.432 137 T N -0.548 114.047 114.554 0.069 0.000 2.851 137 T HA -0.013 4.338 4.350 0.001 0.000 0.262 137 T C 1.671 176.383 174.700 0.021 0.000 1.043 137 T CA 1.601 63.772 62.100 0.118 0.000 1.140 137 T CB -0.097 68.840 68.868 0.114 0.000 0.872 137 T HN 0.282 nan 8.240 nan 0.000 0.446 138 L N -0.170 121.031 121.223 -0.036 0.000 2.664 138 L HA 0.345 4.686 4.340 0.001 0.000 0.233 138 L C 2.204 179.138 176.870 0.106 0.000 1.113 138 L CA 0.202 55.054 54.840 0.019 0.000 0.896 138 L CB 0.140 42.191 42.059 -0.015 0.000 1.163 138 L HN 0.186 nan 8.230 nan 0.000 0.497 139 S N -1.192 114.394 115.700 -0.189 0.000 3.148 139 S HA -0.018 4.452 4.470 0.001 0.000 0.246 139 S C 1.717 176.000 174.600 -0.529 0.000 1.041 139 S CA -0.116 57.879 58.200 -0.341 0.000 0.813 139 S CB -0.217 62.426 63.200 -0.928 0.000 0.813 139 S HN 0.322 nan 8.310 nan 0.000 0.546 140 Y N 2.420 122.237 120.300 -0.806 0.000 2.145 140 Y HA 0.024 4.575 4.550 0.001 0.000 0.286 140 Y C 1.907 177.679 175.900 -0.213 0.000 1.145 140 Y CA 2.013 59.803 58.100 -0.515 0.000 1.148 140 Y CB -0.329 37.915 38.460 -0.360 0.000 0.981 140 Y HN 0.309 nan 8.280 nan 0.000 0.507 141 I N 0.157 120.716 120.570 -0.019 0.000 2.179 141 I HA -0.218 3.953 4.170 0.001 0.000 0.242 141 I C -0.704 175.334 176.117 -0.132 0.000 1.088 141 I CA 1.147 62.468 61.300 0.035 0.000 1.357 141 I CB -1.478 36.615 38.000 0.154 0.000 1.051 141 I HN 0.209 nan 8.210 nan 0.000 0.409 142 P HA -0.123 nan 4.420 nan 0.000 0.216 142 P C 1.868 178.912 177.300 -0.426 0.000 1.153 142 P CA 1.546 64.540 63.100 -0.176 0.000 0.848 142 P CB 0.005 31.640 31.700 -0.108 0.000 0.787 143 I N -0.475 119.720 120.570 -0.625 0.000 2.226 143 I HA -0.255 3.915 4.170 0.001 0.000 0.245 143 I C 2.373 178.105 176.117 -0.642 0.000 1.100 143 I CA 1.488 62.390 61.300 -0.663 0.000 1.374 143 I CB -0.881 36.741 38.000 -0.631 0.000 1.057 143 I HN -0.096 nan 8.210 nan 0.000 0.413 144 A N 0.137 122.532 122.820 -0.709 0.000 1.908 144 A HA -0.330 3.991 4.320 0.001 0.000 0.218 144 A C 2.191 179.490 177.584 -0.475 0.000 1.181 144 A CA 2.319 53.981 52.037 -0.625 0.000 0.627 144 A CB -1.048 17.682 19.000 -0.450 0.000 0.818 144 A HN 0.547 nan 8.150 nan 0.000 0.445 145 H N -0.733 118.042 119.070 -0.492 0.000 2.357 145 H HA 0.002 4.559 4.556 0.001 0.000 0.301 145 H C 1.991 177.101 175.328 -0.362 0.000 1.082 145 H CA 2.095 57.884 56.048 -0.431 0.000 1.342 145 H CB -0.219 29.356 29.762 -0.312 0.000 1.389 145 H HN 0.427 nan 8.280 nan 0.000 0.511 146 M N -0.844 118.535 119.600 -0.368 0.000 2.213 146 M HA -0.138 4.343 4.480 0.001 0.000 0.263 146 M C 1.882 177.965 176.300 -0.362 0.000 1.062 146 M CA 1.214 56.279 55.300 -0.392 0.000 1.105 146 M CB 0.222 32.585 32.600 -0.394 0.000 1.385 146 M HN 0.213 nan 8.290 nan 0.000 0.417 147 V N -2.429 117.235 119.914 -0.416 0.000 2.672 147 V HA -0.068 4.053 4.120 0.001 0.000 0.242 147 V C 1.323 177.294 176.094 -0.206 0.000 1.059 147 V CA 0.983 63.044 62.300 -0.400 0.000 1.081 147 V CB -0.027 31.384 31.823 -0.688 0.000 0.752 147 V HN 0.546 nan 8.190 nan 0.000 0.472 148 W N 0.024 121.224 121.300 -0.167 0.000 3.008 148 W HA 0.499 5.160 4.660 0.002 0.000 0.355 148 W C 1.566 178.053 176.519 -0.052 0.000 1.095 148 W CA 0.344 57.665 57.345 -0.039 0.000 1.738 148 W CB -0.050 29.478 29.460 0.113 0.000 1.091 148 W HN 0.317 nan 8.180 nan 0.000 0.574 149 G N -0.461 108.234 108.800 -0.174 0.000 3.774 149 G HA2 0.381 4.342 3.960 0.001 0.000 0.287 149 G HA3 0.381 4.342 3.960 0.001 0.000 0.287 149 G C 1.112 175.711 174.900 -0.502 0.000 1.030 149 G CA 0.144 45.030 45.100 -0.357 0.000 0.824 149 G HN 0.227 nan 8.290 nan 0.000 0.518 150 G N -0.813 107.806 108.800 -0.302 0.000 2.143 150 G HA2 -0.029 3.931 3.960 0.001 0.000 0.248 150 G HA3 -0.029 3.931 3.960 0.001 0.000 0.248 150 G C 0.833 175.518 174.900 -0.358 0.000 0.991 150 G CA 0.313 45.262 45.100 -0.251 0.000 0.689 150 G HN 1.014 nan 8.290 nan 0.000 0.522 151 G N -1.063 107.429 108.800 -0.513 0.000 2.509 151 G HA2 0.560 4.520 3.960 0.001 0.000 0.269 151 G HA3 0.560 4.520 3.960 0.001 0.000 0.269 151 G C 1.328 176.027 174.900 -0.334 0.000 1.416 151 G CA 0.132 44.963 45.100 -0.448 0.000 1.052 151 G HN 0.896 nan 8.290 nan 0.000 0.542 152 L N -0.621 120.369 121.223 -0.389 0.000 2.010 152 L HA -0.154 4.186 4.340 0.001 0.000 0.219 152 L C 2.729 179.562 176.870 -0.061 0.000 1.077 152 L CA 1.895 56.572 54.840 -0.272 0.000 0.773 152 L CB -0.527 41.304 42.059 -0.380 0.000 0.892 152 L HN 0.486 nan 8.230 nan 0.000 0.436 153 L N -1.475 119.682 121.223 -0.110 0.000 2.095 153 L HA -0.062 4.279 4.340 0.001 0.000 0.204 153 L C 2.658 179.516 176.870 -0.020 0.000 1.080 153 L CA 0.887 55.706 54.840 -0.035 0.000 0.759 153 L CB -0.936 41.059 42.059 -0.108 0.000 0.914 153 L HN 0.355 nan 8.230 nan 0.000 0.439 154 A N 0.564 123.332 122.820 -0.086 0.000 1.873 154 A HA -0.271 4.050 4.320 0.001 0.000 0.218 154 A C 2.485 180.035 177.584 -0.058 0.000 1.193 154 A CA 2.326 54.332 52.037 -0.051 0.000 0.629 154 A CB -0.909 18.044 19.000 -0.080 0.000 0.826 154 A HN 0.504 nan 8.150 nan 0.000 0.447 155 S N -1.308 114.311 115.700 -0.136 0.000 2.547 155 S HA -0.128 4.343 4.470 0.001 0.000 0.235 155 S C 1.206 175.622 174.600 -0.306 0.000 0.980 155 S CA 1.328 59.401 58.200 -0.212 0.000 0.941 155 S CB -0.681 62.352 63.200 -0.278 0.000 0.763 155 S HN 0.725 nan 8.310 nan 0.000 0.532 156 H N 0.229 119.277 119.070 -0.037 0.000 2.586 156 H HA 0.434 4.991 4.556 0.001 0.000 0.273 156 H C 1.475 176.820 175.328 0.028 0.000 0.997 156 H CA 0.194 56.241 56.048 -0.001 0.000 1.177 156 H CB 0.510 30.257 29.762 -0.024 0.000 1.471 156 H HN 0.513 nan 8.280 nan 0.000 0.538 157 G N 0.669 109.529 108.800 0.099 0.000 2.149 157 G HA2 -0.248 3.713 3.960 0.001 0.000 0.235 157 G HA3 -0.248 3.713 3.960 0.001 0.000 0.235 157 G C 0.407 175.354 174.900 0.079 0.000 1.018 157 G CA 0.011 45.165 45.100 0.091 0.000 0.728 157 G HN 0.640 nan 8.290 nan 0.000 0.508 158 A N -0.297 122.563 122.820 0.066 0.000 2.531 158 A HA 0.570 4.891 4.320 0.001 0.000 0.236 158 A C 0.681 178.309 177.584 0.074 0.000 1.062 158 A CA 0.446 52.513 52.037 0.050 0.000 0.760 158 A CB 0.251 19.265 19.000 0.024 0.000 0.995 158 A HN 1.046 nan 8.150 nan 0.000 0.501 159 L N 2.258 123.525 121.223 0.072 0.000 2.296 159 L HA 0.525 4.866 4.340 0.001 0.000 0.286 159 L C -0.483 176.555 176.870 0.280 0.000 1.023 159 L CA -0.418 54.476 54.840 0.091 0.000 0.812 159 L CB 1.532 43.480 42.059 -0.184 0.000 1.223 159 L HN 0.724 nan 8.230 nan 0.000 0.421 160 D N 1.962 122.655 120.400 0.488 0.000 2.474 160 D HA 0.072 4.713 4.640 0.001 0.000 0.234 160 D C 0.127 176.867 176.300 0.733 0.000 1.323 160 D CA -0.424 53.896 54.000 0.534 0.000 0.915 160 D CB 0.689 41.675 40.800 0.310 0.000 1.487 160 D HN 0.303 nan 8.370 nan 0.000 0.524 161 F N 2.923 123.222 119.950 0.582 0.000 2.069 161 F HA 0.009 4.537 4.527 0.001 0.000 0.298 161 F C 1.792 177.815 175.800 0.372 0.000 1.113 161 F CA 2.205 60.417 58.000 0.353 0.000 1.214 161 F CB 0.398 39.438 39.000 0.067 0.000 0.978 161 F HN 0.430 nan 8.300 nan 0.000 0.474 162 A N -1.652 121.540 122.820 0.619 0.000 2.585 162 A HA 0.558 4.879 4.320 0.001 0.000 0.266 162 A C 0.905 178.996 177.584 0.846 0.000 1.178 162 A CA 0.420 52.768 52.037 0.519 0.000 0.966 162 A CB -0.251 19.119 19.000 0.616 0.000 1.170 162 A HN 0.906 nan 8.150 nan 0.000 0.558 163 G N -0.977 108.378 108.800 0.925 0.000 2.337 163 G HA2 0.058 4.019 3.960 0.001 0.000 0.134 163 G HA3 0.058 4.019 3.960 0.001 0.000 0.134 163 G C 1.003 176.289 174.900 0.643 0.000 1.052 163 G CA 0.268 45.817 45.100 0.750 0.000 0.737 163 G HN 1.120 nan 8.290 nan 0.000 0.485 164 G N 0.266 109.420 108.800 0.591 0.000 2.440 164 G HA2 -0.016 3.945 3.960 0.001 0.000 0.218 164 G HA3 -0.016 3.945 3.960 0.001 0.000 0.218 164 G C 1.882 177.017 174.900 0.391 0.000 1.154 164 G CA 2.645 48.067 45.100 0.536 0.000 0.767 164 G HN 1.446 nan 8.290 nan 0.000 0.552 165 T N -1.162 113.526 114.554 0.223 0.000 2.781 165 T HA 0.007 4.357 4.350 0.001 0.000 0.252 165 T C 2.330 177.043 174.700 0.022 0.000 1.039 165 T CA 1.220 63.381 62.100 0.101 0.000 1.147 165 T CB -0.610 68.249 68.868 -0.014 0.000 0.865 165 T HN -0.010 nan 8.240 nan 0.000 0.423 166 V N 1.666 121.483 119.914 -0.161 0.000 2.332 166 V HA -0.118 4.003 4.120 0.001 0.000 0.248 166 V C 2.782 178.883 176.094 0.011 0.000 1.055 166 V CA 1.552 63.660 62.300 -0.321 0.000 1.038 166 V CB -0.748 30.555 31.823 -0.867 0.000 0.651 166 V HN 0.407 nan 8.190 nan 0.000 0.450 167 V N -1.478 118.509 119.914 0.123 0.000 2.398 167 V HA 0.024 4.145 4.120 0.001 0.000 0.236 167 V C 1.983 178.013 176.094 -0.107 0.000 1.054 167 V CA 1.499 63.800 62.300 0.001 0.000 1.060 167 V CB -0.595 31.076 31.823 -0.254 0.000 0.707 167 V HN 0.380 nan 8.190 nan 0.000 0.480 168 F N -0.023 120.107 119.950 0.300 0.000 2.149 168 F HA 0.060 4.587 4.527 0.001 0.000 0.294 168 F C 2.210 178.182 175.800 0.286 0.000 1.095 168 F CA 1.411 59.569 58.000 0.264 0.000 1.276 168 F CB -0.452 38.720 39.000 0.288 0.000 1.023 168 F HN -0.001 nan 8.300 nan 0.000 0.480 169 I N 0.039 120.856 120.570 0.412 0.000 2.252 169 I HA -0.286 3.884 4.170 0.001 0.000 0.245 169 I C 2.311 178.604 176.117 0.293 0.000 1.102 169 I CA 1.080 62.574 61.300 0.323 0.000 1.385 169 I CB -0.510 37.645 38.000 0.257 0.000 1.064 169 I HN 0.146 nan 8.210 nan 0.000 0.414 170 N N 1.449 120.322 118.700 0.289 0.000 2.036 170 N HA -0.210 4.531 4.740 0.001 0.000 0.195 170 N C 1.802 177.597 175.510 0.475 0.000 1.037 170 N CA 2.207 55.489 53.050 0.387 0.000 0.855 170 N CB -0.210 38.484 38.487 0.344 0.000 1.033 170 N HN 0.365 nan 8.380 nan 0.000 0.423 171 A N -0.046 122.983 122.820 0.349 0.000 1.968 171 A HA 0.186 4.506 4.320 0.001 0.000 0.217 171 A C 2.317 179.910 177.584 0.015 0.000 1.169 171 A CA 1.723 53.846 52.037 0.144 0.000 0.638 171 A CB -0.905 18.176 19.000 0.135 0.000 0.812 171 A HN 0.420 nan 8.150 nan 0.000 0.446 172 A N 0.135 123.070 122.820 0.191 0.000 1.898 172 A HA -0.039 4.282 4.320 0.001 0.000 0.216 172 A C 2.003 179.560 177.584 -0.045 0.000 1.181 172 A CA 1.555 53.685 52.037 0.156 0.000 0.620 172 A CB -0.430 18.795 19.000 0.376 0.000 0.819 172 A HN 0.398 nan 8.150 nan 0.000 0.442 173 I N -0.056 120.567 120.570 0.088 0.000 2.202 173 I HA -0.203 3.968 4.170 0.001 0.000 0.242 173 I C 2.977 179.124 176.117 0.049 0.000 1.091 173 I CA 1.427 62.789 61.300 0.104 0.000 1.368 173 I CB -1.655 36.465 38.000 0.200 0.000 1.058 173 I HN 0.357 nan 8.210 nan 0.000 0.410 174 A N 1.109 123.951 122.820 0.037 0.000 1.908 174 A HA -0.142 4.179 4.320 0.001 0.000 0.218 174 A C 2.492 179.975 177.584 -0.168 0.000 1.181 174 A CA 2.056 54.063 52.037 -0.050 0.000 0.627 174 A CB -1.345 17.343 19.000 -0.520 0.000 0.818 174 A HN 0.447 nan 8.150 nan 0.000 0.445 175 G N -0.466 107.997 108.800 -0.562 0.000 2.402 175 G HA2 -0.091 3.870 3.960 0.001 0.000 0.216 175 G HA3 -0.091 3.870 3.960 0.001 0.000 0.216 175 G C 1.539 176.107 174.900 -0.554 0.000 1.162 175 G CA 0.942 45.451 45.100 -0.984 0.000 0.777 175 G HN 0.432 nan 8.290 nan 0.000 0.539 176 L N 0.295 121.292 121.223 -0.375 0.000 2.141 176 L HA -0.042 4.299 4.340 0.001 0.000 0.209 176 L C 2.948 179.840 176.870 0.036 0.000 1.094 176 L CA 0.199 55.017 54.840 -0.038 0.000 0.763 176 L CB -0.324 41.761 42.059 0.044 0.000 0.908 176 L HN 0.074 nan 8.230 nan 0.000 0.437 177 V N 0.169 120.120 119.914 0.062 0.000 2.295 177 V HA -0.218 3.903 4.120 0.001 0.000 0.246 177 V C 2.651 178.721 176.094 -0.041 0.000 1.049 177 V CA 2.019 64.417 62.300 0.163 0.000 1.024 177 V CB -1.336 30.691 31.823 0.341 0.000 0.648 177 V HN 0.561 nan 8.190 nan 0.000 0.447 178 G N -0.071 108.559 108.800 -0.283 0.000 2.553 178 G HA2 -0.326 3.635 3.960 0.001 0.000 0.218 178 G HA3 -0.326 3.635 3.960 0.001 0.000 0.218 178 G C 1.811 176.488 174.900 -0.372 0.000 1.195 178 G CA 1.502 46.136 45.100 -0.778 0.000 0.779 178 G HN 0.636 nan 8.290 nan 0.000 0.577 179 A N -0.087 122.656 122.820 -0.128 0.000 1.892 179 A HA -0.173 4.147 4.320 0.001 0.000 0.218 179 A C 2.286 179.865 177.584 -0.007 0.000 1.188 179 A CA 2.081 54.107 52.037 -0.019 0.000 0.631 179 A CB -0.854 18.208 19.000 0.103 0.000 0.822 179 A HN 0.571 nan 8.150 nan 0.000 0.447 180 Y N 0.237 120.492 120.300 -0.074 0.000 2.207 180 Y HA -0.011 4.539 4.550 -0.000 0.000 0.287 180 Y C 1.016 176.879 175.900 -0.062 0.000 1.156 180 Y CA 0.777 58.854 58.100 -0.039 0.000 1.182 180 Y CB -0.235 38.229 38.460 0.007 0.000 0.979 180 Y HN 0.227 nan 8.280 nan 0.000 0.521 196 H N -0.136 118.902 119.070 -0.053 0.000 2.535 196 H HA 0.187 4.744 4.556 0.001 0.000 0.273 196 H C -0.212 175.092 175.328 -0.041 0.000 0.983 196 H CA 0.642 56.666 56.048 -0.041 0.000 1.238 196 H CB 0.557 30.299 29.762 -0.034 0.000 1.412 196 H HN 0.179 nan 8.280 nan 0.000 0.562 197 N N 0.754 119.053 118.700 -0.668 0.000 2.726 197 N HA 0.147 4.887 4.740 0.001 0.000 0.253 197 N C 0.651 175.985 175.510 -0.293 0.000 1.530 197 N CA -0.205 52.554 53.050 -0.485 0.000 0.772 197 N CB 0.413 38.519 38.487 -0.635 0.000 1.220 197 N HN 0.171 nan 8.380 nan 0.000 0.508 198 L N 0.922 122.031 121.223 -0.190 0.000 2.093 198 L HA 0.016 4.356 4.340 0.001 0.000 0.208 198 L C -0.691 176.138 176.870 -0.069 0.000 1.085 198 L CA 1.151 55.909 54.840 -0.136 0.000 0.755 198 L CB -0.962 41.031 42.059 -0.109 0.000 0.904 198 L HN 0.274 nan 8.230 nan 0.000 0.435 199 P HA -0.247 nan 4.420 nan 0.000 0.216 199 P C 1.782 179.118 177.300 0.060 0.000 1.150 199 P CA 1.663 64.771 63.100 0.014 0.000 0.843 199 P CB 0.003 31.692 31.700 -0.018 0.000 0.787 200 M N -0.948 118.631 119.600 -0.035 0.000 2.156 200 M HA -0.116 4.365 4.480 0.001 0.000 0.264 200 M C 1.653 177.912 176.300 -0.069 0.000 1.067 200 M CA 1.667 56.938 55.300 -0.049 0.000 1.131 200 M CB -0.438 32.104 32.600 -0.097 0.000 1.368 200 M HN -0.251 nan 8.290 nan 0.000 0.416 201 V N 0.797 120.631 119.914 -0.133 0.000 2.324 201 V HA -0.306 3.815 4.120 0.001 0.000 0.250 201 V C 2.217 178.284 176.094 -0.044 0.000 1.060 201 V CA 2.300 64.476 62.300 -0.206 0.000 1.042 201 V CB -1.203 30.425 31.823 -0.325 0.000 0.650 201 V HN 0.626 nan 8.190 nan 0.000 0.450 202 F N 1.574 121.457 119.950 -0.111 0.000 2.134 202 F HA -0.193 4.335 4.527 0.001 0.000 0.299 202 F C 2.406 178.186 175.800 -0.033 0.000 1.097 202 F CA 2.254 60.213 58.000 -0.068 0.000 1.264 202 F CB -0.717 38.238 39.000 -0.074 0.000 1.001 202 F HN 0.119 nan 8.300 nan 0.000 0.479 203 T N 0.042 114.529 114.554 -0.112 0.000 2.746 203 T HA -0.113 4.237 4.350 0.001 0.000 0.267 203 T C 2.163 176.734 174.700 -0.215 0.000 1.039 203 T CA 1.446 63.429 62.100 -0.195 0.000 1.142 203 T CB -1.220 67.637 68.868 -0.018 0.000 0.866 203 T HN 0.476 nan 8.240 nan 0.000 0.444 204 G N 1.114 109.845 108.800 -0.115 0.000 2.402 204 G HA2 -0.196 3.764 3.960 0.001 0.000 0.216 204 G HA3 -0.196 3.764 3.960 0.001 0.000 0.216 204 G C 1.726 176.567 174.900 -0.097 0.000 1.162 204 G CA 1.357 46.411 45.100 -0.077 0.000 0.777 204 G HN 0.448 nan 8.290 nan 0.000 0.539 205 T N 1.769 116.297 114.554 -0.044 0.000 2.720 205 T HA -0.035 4.315 4.350 0.001 0.000 0.268 205 T C 2.812 177.392 174.700 -0.201 0.000 1.037 205 T CA 1.599 63.639 62.100 -0.100 0.000 1.144 205 T CB -0.396 68.429 68.868 -0.072 0.000 0.864 205 T HN 0.375 nan 8.240 nan 0.000 0.444 206 A N 1.173 123.770 122.820 -0.372 0.000 1.877 206 A HA -0.037 4.284 4.320 0.001 0.000 0.216 206 A C 2.302 179.811 177.584 -0.124 0.000 1.186 206 A CA 1.324 53.179 52.037 -0.304 0.000 0.620 206 A CB -0.821 17.855 19.000 -0.541 0.000 0.822 206 A HN 0.527 nan 8.150 nan 0.000 0.443 207 I N -0.445 119.982 120.570 -0.239 0.000 2.286 207 I HA -0.250 3.920 4.170 0.001 0.000 0.248 207 I C 2.378 178.292 176.117 -0.340 0.000 1.115 207 I CA 0.941 61.995 61.300 -0.410 0.000 1.392 207 I CB -0.287 37.305 38.000 -0.680 0.000 1.065 207 I HN 0.304 nan 8.210 nan 0.000 0.418 208 L N -0.554 120.540 121.223 -0.215 0.000 2.017 208 L HA -0.267 4.074 4.340 0.001 0.000 0.208 208 L C 2.698 179.625 176.870 0.094 0.000 1.073 208 L CA 1.538 56.316 54.840 -0.103 0.000 0.745 208 L CB -0.753 41.258 42.059 -0.079 0.000 0.894 208 L HN 0.250 nan 8.230 nan 0.000 0.432 209 Y N 0.749 121.012 120.300 -0.062 0.000 2.097 209 Y HA -0.304 4.246 4.550 0.001 0.000 0.282 209 Y C 2.469 178.349 175.900 -0.034 0.000 1.152 209 Y CA 1.622 59.662 58.100 -0.099 0.000 1.136 209 Y CB -0.163 38.225 38.460 -0.120 0.000 0.975 209 Y HN -0.030 nan 8.280 nan 0.000 0.498 210 I N 0.572 121.161 120.570 0.031 0.000 2.127 210 I HA -0.233 3.937 4.170 0.001 0.000 0.241 210 I C 2.760 178.995 176.117 0.196 0.000 1.075 210 I CA 1.701 63.101 61.300 0.166 0.000 1.334 210 I CB -2.139 36.032 38.000 0.284 0.000 1.040 210 I HN 0.423 nan 8.210 nan 0.000 0.405 211 G N -0.485 108.391 108.800 0.126 0.000 2.462 211 G HA2 -0.268 3.693 3.960 0.001 0.000 0.220 211 G HA3 -0.268 3.693 3.960 0.001 0.000 0.220 211 G C 1.544 176.476 174.900 0.053 0.000 1.121 211 G CA 0.071 45.251 45.100 0.132 0.000 0.758 211 G HN 0.391 nan 8.290 nan 0.000 0.559 212 W N 0.528 121.680 121.300 -0.248 0.000 2.525 212 W HA 0.072 4.733 4.660 0.001 0.000 0.259 212 W C 1.663 177.984 176.519 -0.330 0.000 1.253 212 W CA 0.219 57.358 57.345 -0.344 0.000 1.262 212 W CB -0.322 28.809 29.460 -0.548 0.000 1.122 212 W HN 0.266 nan 8.180 nan 0.000 0.607 213 F N 0.134 120.108 119.950 0.040 0.000 2.234 213 F HA -0.063 4.465 4.527 0.001 0.000 0.299 213 F C 2.635 178.512 175.800 0.127 0.000 1.087 213 F CA 1.683 59.636 58.000 -0.079 0.000 1.340 213 F CB -1.314 37.478 39.000 -0.347 0.000 1.031 213 F HN -0.184 nan 8.300 nan 0.000 0.500 214 G N -0.805 108.171 108.800 0.293 0.000 2.402 214 G HA2 -0.269 3.692 3.960 0.001 0.000 0.216 214 G HA3 -0.269 3.692 3.960 0.001 0.000 0.216 214 G C 1.649 176.758 174.900 0.349 0.000 1.162 214 G CA 0.471 45.709 45.100 0.230 0.000 0.777 214 G HN 0.316 nan 8.290 nan 0.000 0.539 215 F N 2.021 122.026 119.950 0.091 0.000 2.046 215 F HA -0.129 4.398 4.527 0.001 0.000 0.297 215 F C 2.498 178.532 175.800 0.390 0.000 1.123 215 F CA 2.071 60.089 58.000 0.030 0.000 1.199 215 F CB -0.072 38.647 39.000 -0.469 0.000 0.972 215 F HN 0.061 nan 8.300 nan 0.000 0.474 216 N N 0.362 119.461 118.700 0.664 0.000 2.132 216 N HA -0.032 4.708 4.740 0.001 0.000 0.187 216 N C 1.933 177.780 175.510 0.562 0.000 1.038 216 N CA 1.605 55.035 53.050 0.632 0.000 0.846 216 N CB -1.082 37.722 38.487 0.529 0.000 1.012 216 N HN 0.356 nan 8.380 nan 0.000 0.429 217 A N 0.409 123.526 122.820 0.494 0.000 1.902 217 A HA 0.004 4.325 4.320 0.001 0.000 0.217 217 A C 2.234 180.118 177.584 0.500 0.000 1.181 217 A CA 1.903 54.277 52.037 0.561 0.000 0.623 217 A CB -1.242 18.193 19.000 0.725 0.000 0.818 217 A HN 0.366 nan 8.150 nan 0.000 0.443 218 G N -1.154 107.806 108.800 0.267 0.000 2.509 218 G HA2 -0.024 3.936 3.960 0.001 0.000 0.218 218 G HA3 -0.024 3.936 3.960 0.001 0.000 0.218 218 G C 1.489 176.302 174.900 -0.145 0.000 1.124 218 G CA 1.026 46.060 45.100 -0.110 0.000 0.776 218 G HN 0.462 nan 8.290 nan 0.000 0.547 219 S N 0.436 116.230 115.700 0.157 0.000 2.547 219 S HA 0.138 4.609 4.470 0.001 0.000 0.235 219 S C 2.493 176.846 174.600 -0.412 0.000 0.980 219 S CA 0.645 58.749 58.200 -0.160 0.000 0.941 219 S CB -0.008 63.037 63.200 -0.258 0.000 0.763 219 S HN 0.561 nan 8.310 nan 0.000 0.532 220 A N 0.586 123.414 122.820 0.014 0.000 2.067 220 A HA 0.419 4.740 4.320 0.001 0.000 0.217 220 A C 1.886 179.462 177.584 -0.013 0.000 1.156 220 A CA 1.027 53.140 52.037 0.127 0.000 0.683 220 A CB -0.762 18.441 19.000 0.337 0.000 0.808 220 A HN 0.830 nan 8.150 nan 0.000 0.455 221 G N -2.229 106.515 108.800 -0.093 0.000 2.179 221 G HA2 -0.151 3.810 3.960 0.001 0.000 0.260 221 G HA3 -0.151 3.810 3.960 0.001 0.000 0.260 221 G C 0.413 175.301 174.900 -0.020 0.000 0.977 221 G CA 1.181 46.199 45.100 -0.136 0.000 0.641 221 G HN 1.668 nan 8.290 nan 0.000 0.533 222 T N -1.988 112.617 114.554 0.085 0.000 2.827 222 T HA 0.665 5.016 4.350 0.001 0.000 0.328 222 T C -0.335 174.325 174.700 -0.068 0.000 1.598 222 T CA 0.615 62.743 62.100 0.047 0.000 1.043 222 T CB 0.993 69.850 68.868 -0.017 0.000 1.447 222 T HN 1.711 nan 8.240 nan 0.000 0.491 223 A N 3.856 126.495 122.820 -0.302 0.000 3.126 223 A HA 0.501 4.822 4.320 0.001 0.000 0.268 223 A C 0.550 177.928 177.584 -0.344 0.000 1.605 223 A CA -0.443 51.166 52.037 -0.712 0.000 1.305 223 A CB -1.241 17.286 19.000 -0.788 0.000 1.160 223 A HN 0.783 nan 8.150 nan 0.000 0.609 224 N N -0.482 118.097 118.700 -0.202 0.000 3.061 224 N HA 0.155 4.895 4.740 0.001 0.000 0.346 224 N C 0.869 176.332 175.510 -0.078 0.000 1.392 224 N CA -0.106 52.877 53.050 -0.111 0.000 0.762 224 N CB 0.147 38.603 38.487 -0.052 0.000 1.367 224 N HN 0.188 nan 8.380 nan 0.000 0.607 225 E N -0.237 119.939 120.200 -0.041 0.000 2.285 225 E HA -0.066 4.285 4.350 0.001 0.000 0.194 225 E C 1.314 177.913 176.600 -0.003 0.000 0.997 225 E CA 0.644 57.028 56.400 -0.026 0.000 0.845 225 E CB -0.199 29.489 29.700 -0.020 0.000 0.782 225 E HN 0.544 nan 8.360 nan 0.000 0.491 226 I N 1.954 122.534 120.570 0.016 0.000 2.286 226 I HA -0.079 4.091 4.170 0.001 0.000 0.245 226 I C 2.673 178.837 176.117 0.077 0.000 1.104 226 I CA 1.030 62.346 61.300 0.026 0.000 1.397 226 I CB -1.559 36.487 38.000 0.077 0.000 1.072 226 I HN 0.114 nan 8.210 nan 0.000 0.417 227 A N 1.364 124.260 122.820 0.126 0.000 1.883 227 A HA -0.186 4.135 4.320 0.001 0.000 0.217 227 A C 2.614 180.322 177.584 0.207 0.000 1.186 227 A CA 2.366 54.535 52.037 0.219 0.000 0.624 227 A CB -0.923 18.141 19.000 0.106 0.000 0.822 227 A HN 0.403 nan 8.150 nan 0.000 0.444 228 A N -0.583 122.287 122.820 0.084 0.000 1.883 228 A HA -0.108 4.213 4.320 0.001 0.000 0.217 228 A C 2.171 179.831 177.584 0.127 0.000 1.186 228 A CA 1.917 53.999 52.037 0.075 0.000 0.624 228 A CB -0.713 18.277 19.000 -0.016 0.000 0.822 228 A HN 0.776 nan 8.150 nan 0.000 0.444 229 L N -0.296 120.967 121.223 0.067 0.000 2.017 229 L HA -0.089 4.252 4.340 0.001 0.000 0.208 229 L C 2.690 179.595 176.870 0.059 0.000 1.073 229 L CA 2.344 57.206 54.840 0.038 0.000 0.745 229 L CB -0.829 41.211 42.059 -0.032 0.000 0.894 229 L HN 0.352 nan 8.230 nan 0.000 0.432 230 A N -1.169 121.684 122.820 0.055 0.000 1.902 230 A HA -0.241 4.080 4.320 0.001 0.000 0.217 230 A C 2.256 179.977 177.584 0.228 0.000 1.181 230 A CA 1.753 53.837 52.037 0.077 0.000 0.623 230 A CB -1.163 17.920 19.000 0.138 0.000 0.818 230 A HN 0.505 nan 8.150 nan 0.000 0.443 231 F N 0.632 120.705 119.950 0.204 0.000 2.046 231 F HA -0.205 4.323 4.527 0.001 0.000 0.297 231 F C 2.404 178.350 175.800 0.243 0.000 1.123 231 F CA 2.224 60.399 58.000 0.292 0.000 1.199 231 F CB -0.406 38.712 39.000 0.198 0.000 0.972 231 F HN 0.038 nan 8.300 nan 0.000 0.474 232 V N 0.549 120.724 119.914 0.435 0.000 2.343 232 V HA -0.313 3.807 4.120 0.001 0.000 0.247 232 V C 2.118 178.324 176.094 0.186 0.000 1.051 232 V CA 2.051 64.530 62.300 0.299 0.000 1.036 232 V CB -0.814 31.117 31.823 0.181 0.000 0.654 232 V HN 0.360 nan 8.190 nan 0.000 0.451 233 N N 0.023 118.799 118.700 0.126 0.000 2.223 233 N HA -0.128 4.613 4.740 0.001 0.000 0.185 233 N C 1.888 177.422 175.510 0.041 0.000 1.016 233 N CA 1.786 54.871 53.050 0.059 0.000 0.863 233 N CB -0.479 38.020 38.487 0.021 0.000 0.983 233 N HN 0.463 nan 8.380 nan 0.000 0.429 234 T N 0.684 115.269 114.554 0.052 0.000 2.737 234 T HA -0.038 4.313 4.350 0.001 0.000 0.265 234 T C 2.170 176.889 174.700 0.032 0.000 1.038 234 T CA 0.767 62.833 62.100 -0.057 0.000 1.144 234 T CB -0.303 68.434 68.868 -0.218 0.000 0.866 234 T HN -0.039 nan 8.240 nan 0.000 0.434 235 V N 1.223 121.271 119.914 0.223 0.000 2.287 235 V HA -0.156 3.964 4.120 0.001 0.000 0.248 235 V C 2.622 178.817 176.094 0.167 0.000 1.053 235 V CA 1.477 63.964 62.300 0.311 0.000 1.027 235 V CB -0.623 31.392 31.823 0.320 0.000 0.646 235 V HN 0.316 nan 8.190 nan 0.000 0.447 236 V N -0.107 119.869 119.914 0.104 0.000 2.346 236 V HA -0.141 3.980 4.120 0.001 0.000 0.244 236 V C 2.660 178.755 176.094 0.003 0.000 1.037 236 V CA 1.744 64.074 62.300 0.049 0.000 1.029 236 V CB -1.035 30.809 31.823 0.035 0.000 0.663 236 V HN 0.533 nan 8.190 nan 0.000 0.454 237 A N 0.095 122.901 122.820 -0.023 0.000 1.883 237 A HA -0.244 4.077 4.320 0.001 0.000 0.217 237 A C 2.397 179.935 177.584 -0.077 0.000 1.186 237 A CA 2.647 54.647 52.037 -0.062 0.000 0.624 237 A CB -1.122 17.827 19.000 -0.085 0.000 0.822 237 A HN 0.505 nan 8.150 nan 0.000 0.444 238 T N 0.489 114.991 114.554 -0.087 0.000 2.665 238 T HA -0.120 4.231 4.350 0.001 0.000 0.268 238 T C 2.212 176.859 174.700 -0.089 0.000 1.035 238 T CA 1.958 63.987 62.100 -0.117 0.000 1.151 238 T CB -0.564 68.267 68.868 -0.061 0.000 0.862 238 T HN 0.633 nan 8.240 nan 0.000 0.438 239 A N 1.386 124.181 122.820 -0.041 0.000 1.902 239 A HA 0.177 4.497 4.320 0.001 0.000 0.217 239 A C 2.659 180.228 177.584 -0.024 0.000 1.181 239 A CA 1.852 53.868 52.037 -0.035 0.000 0.623 239 A CB -1.118 17.883 19.000 0.002 0.000 0.818 239 A HN 0.522 nan 8.150 nan 0.000 0.443 240 A N -0.254 122.553 122.820 -0.021 0.000 1.930 240 A HA 0.196 4.516 4.320 0.001 0.000 0.217 240 A C 2.465 180.053 177.584 0.006 0.000 1.175 240 A CA 1.965 53.992 52.037 -0.016 0.000 0.627 240 A CB -0.885 18.096 19.000 -0.031 0.000 0.815 240 A HN 1.008 nan 8.150 nan 0.000 0.443 241 A N -0.089 122.731 122.820 0.001 0.000 1.898 241 A HA -0.022 4.299 4.320 0.001 0.000 0.216 241 A C 2.090 179.730 177.584 0.094 0.000 1.181 241 A CA 1.342 53.408 52.037 0.049 0.000 0.620 241 A CB -0.566 18.437 19.000 0.006 0.000 0.819 241 A HN 0.476 nan 8.150 nan 0.000 0.442 242 I N -0.098 120.484 120.570 0.021 0.000 2.127 242 I HA -0.306 3.865 4.170 0.001 0.000 0.241 242 I C 2.370 178.547 176.117 0.101 0.000 1.075 242 I CA 1.416 62.733 61.300 0.028 0.000 1.334 242 I CB -0.344 37.631 38.000 -0.042 0.000 1.040 242 I HN 0.306 nan 8.210 nan 0.000 0.405 243 L N 0.084 121.350 121.223 0.071 0.000 2.083 243 L HA -0.125 4.215 4.340 0.001 0.000 0.209 243 L C 2.676 179.642 176.870 0.160 0.000 1.083 243 L CA 1.469 56.363 54.840 0.090 0.000 0.752 243 L CB -1.262 40.814 42.059 0.029 0.000 0.899 243 L HN 0.337 nan 8.230 nan 0.000 0.433 244 G N -0.571 108.319 108.800 0.149 0.000 2.421 244 G HA2 -0.286 3.675 3.960 0.001 0.000 0.216 244 G HA3 -0.286 3.675 3.960 0.001 0.000 0.216 244 G C 1.366 176.432 174.900 0.277 0.000 1.171 244 G CA 0.282 45.491 45.100 0.182 0.000 0.775 244 G HN 0.397 nan 8.290 nan 0.000 0.543 245 W N 1.146 122.505 121.300 0.098 0.000 2.355 245 W HA -0.090 4.571 4.660 0.001 0.000 0.309 245 W C 2.194 178.780 176.519 0.112 0.000 1.206 245 W CA 0.931 58.331 57.345 0.093 0.000 1.284 245 W CB -0.414 29.075 29.460 0.048 0.000 1.145 245 W HN 0.107 nan 8.180 nan 0.000 0.502 246 I N 0.297 121.135 120.570 0.447 0.000 2.286 246 I HA -0.282 3.889 4.170 0.001 0.000 0.248 246 I C 2.429 178.732 176.117 0.310 0.000 1.115 246 I CA 1.377 62.876 61.300 0.333 0.000 1.392 246 I CB -1.835 36.290 38.000 0.209 0.000 1.065 246 I HN -0.079 nan 8.210 nan 0.000 0.418 247 F N 1.792 121.845 119.950 0.172 0.000 2.186 247 F HA -0.044 4.484 4.527 0.001 0.000 0.299 247 F C 2.339 178.295 175.800 0.260 0.000 1.090 247 F CA 1.539 59.650 58.000 0.184 0.000 1.307 247 F CB -0.559 38.492 39.000 0.085 0.000 1.019 247 F HN 0.028 nan 8.300 nan 0.000 0.489 248 G N -0.423 108.451 108.800 0.124 0.000 2.408 248 G HA2 -0.225 3.736 3.960 0.001 0.000 0.217 248 G HA3 -0.225 3.736 3.960 0.001 0.000 0.217 248 G C 1.567 176.408 174.900 -0.098 0.000 1.150 248 G CA 0.691 45.760 45.100 -0.052 0.000 0.776 248 G HN 0.455 nan 8.290 nan 0.000 0.542 249 E N -0.652 119.557 120.200 0.015 0.000 2.072 249 E HA -0.135 4.216 4.350 0.001 0.000 0.191 249 E C 2.027 178.640 176.600 0.022 0.000 0.985 249 E CA 0.758 57.188 56.400 0.049 0.000 0.801 249 E CB -0.234 29.592 29.700 0.209 0.000 0.750 249 E HN 0.610 nan 8.360 nan 0.000 0.452 250 W N 0.986 122.212 121.300 -0.124 0.000 2.363 250 W HA -0.154 4.507 4.660 0.001 0.000 0.296 250 W C 1.996 178.379 176.519 -0.227 0.000 1.212 250 W CA 2.042 59.300 57.345 -0.145 0.000 1.260 250 W CB -0.228 29.156 29.460 -0.127 0.000 1.131 250 W HN 0.073 nan 8.180 nan 0.000 0.530 251 A N -0.045 122.560 122.820 -0.359 0.000 1.930 251 A HA -0.032 4.289 4.320 0.001 0.000 0.215 251 A C 1.979 179.312 177.584 -0.418 0.000 1.176 251 A CA 1.596 53.282 52.037 -0.585 0.000 0.632 251 A CB -0.672 18.040 19.000 -0.480 0.000 0.819 251 A HN 0.398 nan 8.150 nan 0.000 0.445 252 L N -2.391 118.669 121.223 -0.272 0.000 2.357 252 L HA 0.173 4.514 4.340 0.001 0.000 0.211 252 L C 2.366 179.132 176.870 -0.173 0.000 1.075 252 L CA 0.597 55.323 54.840 -0.189 0.000 0.830 252 L CB -0.000 41.982 42.059 -0.128 0.000 0.996 252 L HN 0.171 nan 8.230 nan 0.000 0.467 253 R N -0.815 119.585 120.500 -0.165 0.000 2.404 253 R HA 0.274 4.614 4.340 0.001 0.000 0.237 253 R C 1.159 177.366 176.300 -0.154 0.000 0.907 253 R CA 0.592 56.620 56.100 -0.120 0.000 1.063 253 R CB 1.048 31.318 30.300 -0.051 0.000 1.134 253 R HN 0.301 nan 8.270 nan 0.000 0.529 254 G N 1.695 110.332 108.800 -0.272 0.000 2.232 254 G HA2 -0.302 3.659 3.960 0.001 0.000 0.226 254 G HA3 -0.302 3.659 3.960 0.001 0.000 0.226 254 G C -0.096 174.672 174.900 -0.220 0.000 0.996 254 G CA 0.385 45.282 45.100 -0.338 0.000 0.626 254 G HN 0.353 nan 8.290 nan 0.000 0.509 255 K N -0.667 119.704 120.400 -0.049 0.000 2.587 255 K HA 0.616 4.937 4.320 0.001 0.000 0.276 255 K C -3.589 173.093 176.600 0.136 0.000 0.956 255 K CA -1.793 54.564 56.287 0.116 0.000 0.857 255 K CB 2.101 34.642 32.500 0.069 0.000 1.431 255 K HN 0.028 nan 8.250 nan 0.000 0.420 256 P HA 0.158 nan 4.420 nan 0.000 0.274 256 P C -0.953 176.397 177.300 0.084 0.000 1.246 256 P CA -0.417 62.768 63.100 0.142 0.000 0.795 256 P CB 0.979 32.754 31.700 0.124 0.000 1.006 257 S N 0.052 115.795 115.700 0.071 0.000 2.627 257 S HA 0.348 4.819 4.470 0.001 0.000 0.283 257 S C 0.420 175.013 174.600 -0.012 0.000 1.127 257 S CA -0.633 57.581 58.200 0.024 0.000 0.863 257 S CB 0.843 64.061 63.200 0.030 0.000 1.121 257 S HN 0.243 nan 8.310 nan 0.000 0.479 258 L N 1.148 122.347 121.223 -0.041 0.000 2.056 258 L HA 0.172 4.513 4.340 0.001 0.000 0.207 258 L C 2.037 178.861 176.870 -0.076 0.000 1.078 258 L CA 1.684 56.486 54.840 -0.063 0.000 0.749 258 L CB -1.048 40.961 42.059 -0.084 0.000 0.901 258 L HN 0.832 nan 8.230 nan 0.000 0.433 259 L N -0.169 121.003 121.223 -0.085 0.000 2.131 259 L HA 0.010 4.350 4.340 0.001 0.000 0.210 259 L C 2.283 179.021 176.870 -0.220 0.000 1.092 259 L CA 1.965 56.727 54.840 -0.130 0.000 0.759 259 L CB -1.422 40.576 42.059 -0.102 0.000 0.903 259 L HN 0.316 nan 8.230 nan 0.000 0.435 260 G N -1.092 107.613 108.800 -0.158 0.000 2.421 260 G HA2 -0.244 3.717 3.960 0.001 0.000 0.216 260 G HA3 -0.244 3.717 3.960 0.001 0.000 0.216 260 G C 1.633 176.201 174.900 -0.552 0.000 1.171 260 G CA 0.884 45.800 45.100 -0.306 0.000 0.775 260 G HN 0.619 nan 8.290 nan 0.000 0.543 261 A N 0.248 122.934 122.820 -0.223 0.000 1.873 261 A HA -0.182 4.138 4.320 0.001 0.000 0.218 261 A C 2.623 180.061 177.584 -0.244 0.000 1.193 261 A CA 2.093 54.028 52.037 -0.170 0.000 0.629 261 A CB -1.193 17.769 19.000 -0.062 0.000 0.826 261 A HN 0.455 nan 8.150 nan 0.000 0.447 262 C N -0.810 118.369 119.300 -0.201 0.000 2.429 262 C HA -0.039 4.422 4.460 0.001 0.000 0.277 262 C C 3.258 178.071 174.990 -0.295 0.000 1.262 262 C CA 1.175 60.096 59.018 -0.162 0.000 1.733 262 C CB -1.359 26.358 27.740 -0.038 0.000 2.010 262 C HN 0.627 nan 8.230 nan 0.000 0.483 263 S N 0.853 116.229 115.700 -0.541 0.000 2.382 263 S HA -0.064 4.407 4.470 0.001 0.000 0.228 263 S C 2.113 176.158 174.600 -0.925 0.000 1.027 263 S CA 1.495 59.199 58.200 -0.826 0.000 0.991 263 S CB -0.712 61.675 63.200 -1.356 0.000 0.823 263 S HN 0.766 nan 8.310 nan 0.000 0.469 264 G N 1.532 109.761 108.800 -0.951 0.000 2.446 264 G HA2 -0.118 3.843 3.960 0.001 0.000 0.217 264 G HA3 -0.118 3.843 3.960 0.001 0.000 0.217 264 G C 1.579 176.365 174.900 -0.190 0.000 1.168 264 G CA 0.965 45.898 45.100 -0.280 0.000 0.771 264 G HN 0.584 nan 8.290 nan 0.000 0.551 265 A N 0.864 123.529 122.820 -0.258 0.000 1.902 265 A HA 0.011 4.332 4.320 0.001 0.000 0.217 265 A C 2.329 179.723 177.584 -0.316 0.000 1.181 265 A CA 1.474 53.355 52.037 -0.261 0.000 0.623 265 A CB -0.275 18.556 19.000 -0.282 0.000 0.818 265 A HN 0.290 nan 8.150 nan 0.000 0.443 266 I N -0.015 120.368 120.570 -0.312 0.000 2.315 266 I HA -0.203 3.968 4.170 0.001 0.000 0.248 266 I C 2.880 178.819 176.117 -0.297 0.000 1.117 266 I CA 1.288 62.384 61.300 -0.341 0.000 1.404 266 I CB -1.690 36.149 38.000 -0.268 0.000 1.071 266 I HN 0.359 nan 8.210 nan 0.000 0.419 267 A N 1.038 123.763 122.820 -0.157 0.000 1.902 267 A HA -0.081 4.239 4.320 0.001 0.000 0.217 267 A C 2.507 180.026 177.584 -0.108 0.000 1.181 267 A CA 1.884 53.909 52.037 -0.020 0.000 0.623 267 A CB -1.269 17.864 19.000 0.222 0.000 0.818 267 A HN 0.418 nan 8.150 nan 0.000 0.443 268 G N -0.538 108.166 108.800 -0.160 0.000 2.403 268 G HA2 -0.037 3.923 3.960 0.001 0.000 0.216 268 G HA3 -0.037 3.923 3.960 0.001 0.000 0.216 268 G C 1.558 176.255 174.900 -0.339 0.000 1.154 268 G CA 0.841 45.833 45.100 -0.181 0.000 0.784 268 G HN 0.406 nan 8.290 nan 0.000 0.538 269 L N 0.181 121.047 121.223 -0.596 0.000 2.017 269 L HA -0.085 4.255 4.340 0.001 0.000 0.208 269 L C 2.981 179.296 176.870 -0.926 0.000 1.073 269 L CA 0.634 54.792 54.840 -1.136 0.000 0.745 269 L CB -0.459 40.393 42.059 -2.012 0.000 0.894 269 L HN 0.082 nan 8.230 nan 0.000 0.432 270 V N -0.086 119.408 119.914 -0.700 0.000 2.358 270 V HA -0.186 3.935 4.120 0.001 0.000 0.246 270 V C 2.552 178.563 176.094 -0.139 0.000 1.047 270 V CA 1.970 63.991 62.300 -0.466 0.000 1.035 270 V CB -1.071 30.502 31.823 -0.417 0.000 0.658 270 V HN 0.578 nan 8.190 nan 0.000 0.452 271 G N -1.049 107.689 108.800 -0.104 0.000 2.408 271 G HA2 -0.196 3.765 3.960 0.001 0.000 0.217 271 G HA3 -0.196 3.765 3.960 0.001 0.000 0.217 271 G C 1.669 176.593 174.900 0.040 0.000 1.150 271 G CA 1.095 46.201 45.100 0.010 0.000 0.776 271 G HN 0.386 nan 8.290 nan 0.000 0.542 272 V N 0.584 120.483 119.914 -0.025 0.000 3.306 272 V HA -0.029 4.092 4.120 0.001 0.000 0.264 272 V C 2.873 179.068 176.094 0.169 0.000 1.149 272 V CA 2.012 64.333 62.300 0.034 0.000 1.143 272 V CB -0.457 31.340 31.823 -0.043 0.000 0.767 272 V HN 0.370 nan 8.190 nan 0.000 0.476 273 T N 1.952 116.654 114.554 0.246 0.000 2.597 273 T HA -0.132 4.219 4.350 0.001 0.000 0.267 273 T C -0.210 174.826 174.700 0.560 0.000 1.053 273 T CA 2.364 64.785 62.100 0.535 0.000 1.165 273 T CB -1.237 68.072 68.868 0.735 0.000 0.863 273 T HN 0.538 nan 8.240 nan 0.000 0.427 274 P HA 0.136 nan 4.420 nan 0.000 0.226 274 P C 0.814 178.422 177.300 0.512 0.000 1.153 274 P CA 1.001 64.406 63.100 0.510 0.000 0.777 274 P CB -0.056 31.888 31.700 0.407 0.000 0.794 275 A N -0.356 122.692 122.820 0.379 0.000 2.197 275 A HA 0.018 4.339 4.320 0.001 0.000 0.210 275 A C 2.328 180.001 177.584 0.148 0.000 1.180 275 A CA 0.633 52.867 52.037 0.328 0.000 0.846 275 A CB -1.522 17.620 19.000 0.237 0.000 0.884 275 A HN 0.372 nan 8.150 nan 0.000 0.487 276 C N -1.325 118.025 119.300 0.082 0.000 2.403 276 C HA 0.042 4.502 4.460 0.001 0.000 0.277 276 C C 2.402 177.156 174.990 -0.393 0.000 1.248 276 C CA 0.814 59.791 59.018 -0.069 0.000 1.762 276 C CB -1.705 26.069 27.740 0.056 0.000 2.014 276 C HN 0.507 nan 8.230 nan 0.000 0.486 277 G N -2.170 105.976 108.800 -1.090 0.000 2.985 277 G HA2 0.254 4.215 3.960 0.001 0.000 0.209 277 G HA3 0.254 4.215 3.960 0.001 0.000 0.209 277 G C 0.872 175.221 174.900 -0.919 0.000 1.165 277 G CA 0.345 44.458 45.100 -1.646 0.000 0.776 277 G HN 0.650 nan 8.290 nan 0.000 0.541 278 Y N -0.141 120.025 120.300 -0.223 0.000 2.430 278 Y HA 0.362 4.913 4.550 0.001 0.000 0.254 278 Y C 1.238 177.120 175.900 -0.030 0.000 1.088 278 Y CA -1.519 56.549 58.100 -0.054 0.000 1.267 278 Y CB 0.291 38.782 38.460 0.051 0.000 1.204 278 Y HN 0.218 nan 8.280 nan 0.000 0.515 279 I N -1.687 118.948 120.570 0.108 0.000 2.947 279 I HA 0.871 5.041 4.170 0.001 0.000 0.314 279 I C 0.643 176.790 176.117 0.049 0.000 1.028 279 I CA -1.151 60.212 61.300 0.105 0.000 1.077 279 I CB 1.365 39.444 38.000 0.130 0.000 1.274 279 I HN 0.007 nan 8.210 nan 0.000 0.485 280 G N 1.141 109.978 108.800 0.063 0.000 2.528 280 G HA2 0.401 4.362 3.960 0.001 0.000 0.289 280 G HA3 0.401 4.362 3.960 0.001 0.000 0.289 280 G C 0.886 175.797 174.900 0.017 0.000 1.192 280 G CA -0.191 44.932 45.100 0.038 0.000 0.921 280 G HN 0.929 nan 8.290 nan 0.000 0.512 281 V N -0.619 119.303 119.914 0.013 0.000 2.594 281 V HA -0.018 4.102 4.120 0.001 0.000 0.253 281 V C 2.479 178.562 176.094 -0.019 0.000 1.069 281 V CA 2.171 64.473 62.300 0.003 0.000 1.082 281 V CB -1.206 30.627 31.823 0.016 0.000 0.680 281 V HN 0.742 nan 8.190 nan 0.000 0.469 282 G N 0.924 109.719 108.800 -0.008 0.000 2.421 282 G HA2 -0.083 3.878 3.960 0.001 0.000 0.216 282 G HA3 -0.083 3.878 3.960 0.001 0.000 0.216 282 G C 1.547 176.385 174.900 -0.103 0.000 1.171 282 G CA 0.880 45.968 45.100 -0.020 0.000 0.775 282 G HN 0.734 nan 8.290 nan 0.000 0.543 283 G N 1.015 109.744 108.800 -0.118 0.000 2.402 283 G HA2 0.076 4.037 3.960 0.001 0.000 0.216 283 G HA3 0.076 4.037 3.960 0.001 0.000 0.216 283 G C 2.059 176.725 174.900 -0.389 0.000 1.162 283 G CA 1.464 46.306 45.100 -0.430 0.000 0.777 283 G HN 0.643 nan 8.290 nan 0.000 0.539 284 A N 0.407 123.125 122.820 -0.170 0.000 1.940 284 A HA 0.038 4.359 4.320 0.001 0.000 0.219 284 A C 2.367 179.874 177.584 -0.129 0.000 1.176 284 A CA 1.519 53.486 52.037 -0.117 0.000 0.631 284 A CB -0.388 18.584 19.000 -0.047 0.000 0.814 284 A HN 0.413 nan 8.150 nan 0.000 0.446 285 L N -0.553 120.595 121.223 -0.125 0.000 2.027 285 L HA -0.099 4.242 4.340 0.001 0.000 0.206 285 L C 2.398 179.188 176.870 -0.132 0.000 1.074 285 L CA 1.418 56.198 54.840 -0.099 0.000 0.745 285 L CB -0.217 41.799 42.059 -0.071 0.000 0.898 285 L HN 0.424 nan 8.230 nan 0.000 0.433 286 I N -0.250 120.192 120.570 -0.213 0.000 2.179 286 I HA -0.350 3.820 4.170 0.001 0.000 0.242 286 I C 2.420 178.408 176.117 -0.215 0.000 1.088 286 I CA 1.572 62.733 61.300 -0.232 0.000 1.357 286 I CB -0.281 37.499 38.000 -0.367 0.000 1.051 286 I HN 0.255 nan 8.210 nan 0.000 0.409 287 I N 0.743 121.137 120.570 -0.293 0.000 2.264 287 I HA -0.246 3.925 4.170 0.001 0.000 0.248 287 I C 2.615 178.684 176.117 -0.079 0.000 1.111 287 I CA 1.653 62.856 61.300 -0.162 0.000 1.382 287 I CB -0.783 37.131 38.000 -0.144 0.000 1.060 287 I HN 0.294 nan 8.210 nan 0.000 0.418 288 G N 0.239 108.988 108.800 -0.085 0.000 2.404 288 G HA2 -0.174 3.786 3.960 0.001 0.000 0.215 288 G HA3 -0.174 3.786 3.960 0.001 0.000 0.215 288 G C 1.708 176.599 174.900 -0.016 0.000 1.174 288 G CA 0.725 45.795 45.100 -0.050 0.000 0.780 288 G HN 0.219 nan 8.290 nan 0.000 0.537 289 V N 0.604 120.503 119.914 -0.025 0.000 2.287 289 V HA -0.195 3.925 4.120 0.001 0.000 0.248 289 V C 3.089 179.193 176.094 0.018 0.000 1.053 289 V CA 1.701 64.000 62.300 -0.001 0.000 1.027 289 V CB -0.468 31.338 31.823 -0.028 0.000 0.646 289 V HN 0.246 nan 8.190 nan 0.000 0.447 290 V N 0.242 120.156 119.914 0.002 0.000 2.343 290 V HA -0.263 3.858 4.120 0.001 0.000 0.247 290 V C 2.665 178.783 176.094 0.039 0.000 1.051 290 V CA 2.056 64.366 62.300 0.016 0.000 1.036 290 V CB -1.200 30.632 31.823 0.016 0.000 0.654 290 V HN 0.569 nan 8.190 nan 0.000 0.451 291 A N 0.543 123.389 122.820 0.043 0.000 1.930 291 A HA -0.047 4.274 4.320 0.001 0.000 0.217 291 A C 2.420 180.079 177.584 0.125 0.000 1.175 291 A CA 1.816 53.897 52.037 0.073 0.000 0.627 291 A CB -1.166 17.861 19.000 0.044 0.000 0.815 291 A HN 0.524 nan 8.150 nan 0.000 0.443 292 G N -0.231 108.651 108.800 0.137 0.000 2.422 292 G HA2 -0.132 3.829 3.960 0.001 0.000 0.218 292 G HA3 -0.132 3.829 3.960 0.001 0.000 0.218 292 G C 1.547 176.521 174.900 0.123 0.000 1.146 292 G CA 1.061 46.317 45.100 0.260 0.000 0.769 292 G HN 0.431 nan 8.290 nan 0.000 0.547 293 L N 0.434 121.689 121.223 0.052 0.000 2.072 293 L HA 0.090 4.430 4.340 0.001 0.000 0.205 293 L C 3.357 180.219 176.870 -0.014 0.000 1.079 293 L CA 0.873 55.702 54.840 -0.019 0.000 0.752 293 L CB -0.320 41.756 42.059 0.029 0.000 0.906 293 L HN 0.279 nan 8.230 nan 0.000 0.436 294 A N 0.333 123.182 122.820 0.050 0.000 1.930 294 A HA -0.085 4.235 4.320 0.001 0.000 0.217 294 A C 2.395 180.094 177.584 0.191 0.000 1.175 294 A CA 1.563 53.679 52.037 0.133 0.000 0.627 294 A CB -1.221 17.840 19.000 0.101 0.000 0.815 294 A HN 0.422 nan 8.150 nan 0.000 0.443 295 G N 0.022 108.896 108.800 0.123 0.000 2.446 295 G HA2 -0.192 3.768 3.960 0.001 0.000 0.217 295 G HA3 -0.192 3.768 3.960 0.001 0.000 0.217 295 G C 1.488 176.256 174.900 -0.220 0.000 1.168 295 G CA 1.311 46.512 45.100 0.167 0.000 0.771 295 G HN 0.474 nan 8.290 nan 0.000 0.551 296 L N -0.306 120.424 121.223 -0.823 0.000 1.994 296 L HA 0.029 4.369 4.340 0.001 0.000 0.208 296 L C 2.470 179.110 176.870 -0.382 0.000 1.071 296 L CA 1.984 56.142 54.840 -1.135 0.000 0.745 296 L CB -1.032 40.279 42.059 -1.247 0.000 0.892 296 L HN 0.469 nan 8.230 nan 0.000 0.431 297 W N 0.498 121.613 121.300 -0.308 0.000 2.318 297 W HA -0.164 4.497 4.660 0.001 0.000 0.313 297 W C 2.216 178.680 176.519 -0.092 0.000 1.221 297 W CA 2.672 59.924 57.345 -0.155 0.000 1.266 297 W CB -0.848 28.554 29.460 -0.097 0.000 1.150 297 W HN 0.244 nan 8.180 nan 0.000 0.496 298 G N 0.568 109.343 108.800 -0.042 0.000 2.459 298 G HA2 -0.339 3.621 3.960 0.001 0.000 0.217 298 G HA3 -0.339 3.621 3.960 0.001 0.000 0.217 298 G C 1.515 176.270 174.900 -0.242 0.000 1.183 298 G CA 2.486 47.459 45.100 -0.212 0.000 0.776 298 G HN 0.612 nan 8.290 nan 0.000 0.552 299 V N -1.028 118.829 119.914 -0.094 0.000 2.515 299 V HA -0.107 4.013 4.120 0.001 0.000 0.250 299 V C 2.577 178.601 176.094 -0.117 0.000 1.058 299 V CA 2.713 64.993 62.300 -0.033 0.000 1.064 299 V CB -1.231 30.671 31.823 0.131 0.000 0.675 299 V HN 0.273 nan 8.190 nan 0.000 0.461 300 T N 0.898 115.327 114.554 -0.208 0.000 2.746 300 T HA -0.091 4.260 4.350 0.001 0.000 0.267 300 T C 1.983 176.520 174.700 -0.272 0.000 1.039 300 T CA 2.225 64.195 62.100 -0.216 0.000 1.142 300 T CB -0.314 68.413 68.868 -0.234 0.000 0.866 300 T HN 0.365 nan 8.240 nan 0.000 0.444 301 M N 0.657 119.982 119.600 -0.459 0.000 2.123 301 M HA 0.154 4.635 4.480 0.001 0.000 0.263 301 M C 2.373 178.526 176.300 -0.245 0.000 1.069 301 M CA 1.120 56.155 55.300 -0.443 0.000 1.133 301 M CB -1.413 30.711 32.600 -0.792 0.000 1.356 301 M HN 0.211 nan 8.290 nan 0.000 0.415 302 L N 0.095 121.195 121.223 -0.204 0.000 2.129 302 L HA -0.226 4.114 4.340 0.001 0.000 0.212 302 L C 1.770 178.609 176.870 -0.053 0.000 1.087 302 L CA 1.278 56.067 54.840 -0.084 0.000 0.757 302 L CB -0.507 41.535 42.059 -0.028 0.000 0.896 302 L HN 0.340 nan 8.230 nan 0.000 0.434 303 K N 0.226 120.585 120.400 -0.068 0.000 2.632 303 K HA -0.026 4.294 4.320 0.001 0.000 0.196 303 K C 0.176 176.746 176.600 -0.049 0.000 1.023 303 K CA 0.223 56.483 56.287 -0.045 0.000 1.098 303 K CB 0.024 32.500 32.500 -0.041 0.000 0.862 303 K HN 0.167 nan 8.250 nan 0.000 0.504 304 R N 0.901 121.367 120.500 -0.057 0.000 2.886 304 R HA 0.225 4.566 4.340 0.001 0.000 0.306 304 R C -0.387 175.898 176.300 -0.024 0.000 1.300 304 R CA -0.273 55.801 56.100 -0.043 0.000 1.441 304 R CB 0.261 30.527 30.300 -0.057 0.000 1.328 304 R HN 0.018 nan 8.270 nan 0.000 0.629 310 D N 0.251 120.648 120.400 -0.006 0.000 2.549 310 D HA -0.172 4.469 4.640 0.001 0.000 0.199 310 D C -0.951 175.345 176.300 -0.006 0.000 1.034 310 D CA 2.944 56.940 54.000 -0.007 0.000 0.880 310 D CB -1.026 39.766 40.800 -0.015 0.000 1.044 310 D HN 0.253 nan 8.370 nan 0.000 0.469 311 P HA -0.059 nan 4.420 nan 0.000 0.218 311 P C 1.752 179.015 177.300 -0.062 0.000 1.148 311 P CA 0.977 64.093 63.100 0.027 0.000 0.822 311 P CB -0.286 31.431 31.700 0.029 0.000 0.784 312 C N -0.114 119.145 119.300 -0.068 0.000 2.456 312 C HA -0.018 4.442 4.460 0.001 0.000 0.279 312 C C 2.264 177.243 174.990 -0.019 0.000 1.427 312 C CA 0.525 59.503 59.018 -0.067 0.000 1.778 312 C CB -1.716 26.124 27.740 0.166 0.000 1.842 312 C HN 0.299 nan 8.230 nan 0.000 0.531 313 D N 0.828 121.225 120.400 -0.006 0.000 2.265 313 D HA -0.103 4.537 4.640 0.001 0.000 0.208 313 D C 2.031 178.324 176.300 -0.011 0.000 0.977 313 D CA 0.974 54.986 54.000 0.021 0.000 0.871 313 D CB -0.142 40.670 40.800 0.020 0.000 0.925 313 D HN 0.328 nan 8.370 nan 0.000 0.485 314 V N 0.860 120.704 119.914 -0.116 0.000 2.594 314 V HA -0.234 3.887 4.120 0.001 0.000 0.253 314 V C 1.970 177.890 176.094 -0.291 0.000 1.069 314 V CA 1.110 63.288 62.300 -0.204 0.000 1.082 314 V CB -0.691 31.057 31.823 -0.124 0.000 0.680 314 V HN 0.073 nan 8.190 nan 0.000 0.469 315 F N 1.592 121.588 119.950 0.078 0.000 2.451 315 F HA 0.045 4.573 4.527 0.002 0.000 0.299 315 F C 2.308 178.181 175.800 0.122 0.000 1.101 315 F CA 0.868 58.962 58.000 0.158 0.000 1.436 315 F CB -1.389 37.729 39.000 0.198 0.000 1.074 315 F HN 0.201 nan 8.300 nan 0.000 0.553 316 G N -0.105 108.823 108.800 0.214 0.000 2.408 316 G HA2 -0.136 3.825 3.960 0.001 0.000 0.217 316 G HA3 -0.136 3.825 3.960 0.001 0.000 0.217 316 G C 1.818 176.813 174.900 0.157 0.000 1.150 316 G CA 1.078 46.274 45.100 0.160 0.000 0.776 316 G HN 0.254 nan 8.290 nan 0.000 0.542 317 V N 0.645 120.611 119.914 0.086 0.000 2.244 317 V HA -0.166 3.955 4.120 0.001 0.000 0.244 317 V C 2.390 178.566 176.094 0.135 0.000 1.042 317 V CA 2.208 64.562 62.300 0.090 0.000 1.006 317 V CB -1.118 30.701 31.823 -0.006 0.000 0.641 317 V HN 0.535 nan 8.190 nan 0.000 0.446 318 H N 0.201 119.420 119.070 0.248 0.000 2.353 318 H HA -0.140 4.417 4.556 0.001 0.000 0.298 318 H C 2.328 177.855 175.328 0.332 0.000 1.103 318 H CA 1.293 57.531 56.048 0.317 0.000 1.293 318 H CB -0.407 29.657 29.762 0.505 0.000 1.372 318 H HN 0.504 nan 8.280 nan 0.000 0.501 319 G N 0.071 109.127 108.800 0.427 0.000 2.404 319 G HA2 -0.170 3.791 3.960 0.001 0.000 0.214 319 G HA3 -0.170 3.791 3.960 0.001 0.000 0.214 319 G C 1.826 176.895 174.900 0.281 0.000 1.189 319 G CA 0.892 46.197 45.100 0.342 0.000 0.789 319 G HN 0.238 nan 8.290 nan 0.000 0.533 320 V N 0.516 120.587 119.914 0.262 0.000 2.379 320 V HA -0.164 3.956 4.120 0.001 0.000 0.245 320 V C 3.041 179.264 176.094 0.216 0.000 1.044 320 V CA 1.698 64.149 62.300 0.251 0.000 1.036 320 V CB -0.487 31.512 31.823 0.294 0.000 0.664 320 V HN 0.491 nan 8.190 nan 0.000 0.453 321 C N 0.673 120.096 119.300 0.205 0.000 2.446 321 C HA -0.008 4.452 4.460 0.001 0.000 0.277 321 C C 2.930 178.022 174.990 0.169 0.000 1.275 321 C CA 0.619 59.733 59.018 0.160 0.000 1.727 321 C CB -1.656 26.155 27.740 0.118 0.000 2.010 321 C HN 0.668 nan 8.230 nan 0.000 0.486 322 G N 0.789 109.725 108.800 0.226 0.000 2.446 322 G HA2 -0.191 3.770 3.960 0.001 0.000 0.217 322 G HA3 -0.191 3.770 3.960 0.001 0.000 0.217 322 G C 1.464 176.505 174.900 0.235 0.000 1.168 322 G CA 0.928 46.192 45.100 0.274 0.000 0.771 322 G HN 0.533 nan 8.290 nan 0.000 0.551 323 I N 0.131 120.830 120.570 0.214 0.000 2.142 323 I HA -0.163 4.008 4.170 0.001 0.000 0.240 323 I C 2.812 179.022 176.117 0.155 0.000 1.078 323 I CA 0.551 61.958 61.300 0.177 0.000 1.343 323 I CB -0.369 37.731 38.000 0.166 0.000 1.046 323 I HN 0.034 nan 8.210 nan 0.000 0.405 324 V N 1.070 121.073 119.914 0.148 0.000 2.255 324 V HA -0.260 3.860 4.120 0.001 0.000 0.247 324 V C 2.603 178.782 176.094 0.142 0.000 1.051 324 V CA 2.359 64.734 62.300 0.126 0.000 1.018 324 V CB -1.455 30.432 31.823 0.107 0.000 0.641 324 V HN 0.597 nan 8.190 nan 0.000 0.445 325 G N -1.248 107.643 108.800 0.151 0.000 2.446 325 G HA2 -0.304 3.657 3.960 0.001 0.000 0.217 325 G HA3 -0.304 3.657 3.960 0.001 0.000 0.217 325 G C 1.757 176.779 174.900 0.204 0.000 1.168 325 G CA 1.421 46.623 45.100 0.169 0.000 0.771 325 G HN 0.542 nan 8.290 nan 0.000 0.551 326 C N 0.321 119.744 119.300 0.206 0.000 2.429 326 C HA 0.021 4.482 4.460 0.001 0.000 0.277 326 C C 2.860 177.951 174.990 0.168 0.000 1.262 326 C CA 0.565 59.702 59.018 0.199 0.000 1.733 326 C CB -1.019 26.830 27.740 0.181 0.000 2.010 326 C HN 0.482 nan 8.230 nan 0.000 0.483 327 I N 0.523 121.182 120.570 0.148 0.000 2.179 327 I HA -0.263 3.908 4.170 0.001 0.000 0.242 327 I C 2.530 178.743 176.117 0.161 0.000 1.088 327 I CA 1.733 63.108 61.300 0.126 0.000 1.357 327 I CB -0.410 37.651 38.000 0.102 0.000 1.051 327 I HN 0.339 nan 8.210 nan 0.000 0.409 328 M N -0.375 119.347 119.600 0.204 0.000 2.394 328 M HA -0.109 4.372 4.480 0.001 0.000 0.264 328 M C 2.216 178.731 176.300 0.358 0.000 1.073 328 M CA 1.256 56.739 55.300 0.304 0.000 1.111 328 M CB -0.679 32.106 32.600 0.310 0.000 1.401 328 M HN 0.235 nan 8.290 nan 0.000 0.448 329 T N 0.837 115.562 114.554 0.285 0.000 2.684 329 T HA -0.135 4.216 4.350 0.001 0.000 0.267 329 T C 1.793 176.655 174.700 0.270 0.000 1.036 329 T CA 1.785 64.058 62.100 0.288 0.000 1.148 329 T CB -0.652 68.386 68.868 0.283 0.000 0.863 329 T HN 0.654 nan 8.240 nan 0.000 0.436 330 G N 0.012 108.952 108.800 0.233 0.000 2.625 330 G HA2 0.022 3.983 3.960 0.001 0.000 0.214 330 G HA3 0.022 3.983 3.960 0.001 0.000 0.214 330 G C 1.315 176.387 174.900 0.286 0.000 1.132 330 G CA 0.232 45.479 45.100 0.246 0.000 0.782 330 G HN 0.487 nan 8.290 nan 0.000 0.538 331 I N -1.521 119.170 120.570 0.201 0.000 2.899 331 I HA 0.212 4.383 4.170 0.001 0.000 0.257 331 I C 1.692 177.723 176.117 -0.142 0.000 1.115 331 I CA 0.167 61.471 61.300 0.007 0.000 1.451 331 I CB 0.100 37.971 38.000 -0.216 0.000 1.251 331 I HN 0.018 nan 8.210 nan 0.000 0.456 332 F N 1.122 121.137 119.950 0.108 0.000 2.710 332 F HA 0.135 4.662 4.527 0.001 0.000 0.298 332 F C 2.414 178.195 175.800 -0.032 0.000 1.137 332 F CA 0.648 58.673 58.000 0.041 0.000 1.444 332 F CB -0.474 38.558 39.000 0.054 0.000 1.111 332 F HN -0.033 nan 8.300 nan 0.000 0.580 333 A N 0.596 123.435 122.820 0.032 0.000 2.019 333 A HA 0.157 4.477 4.320 0.001 0.000 0.219 333 A C 1.700 178.941 177.584 -0.573 0.000 1.164 333 A CA 0.690 52.615 52.037 -0.188 0.000 0.644 333 A CB -1.119 17.762 19.000 -0.198 0.000 0.805 333 A HN 0.169 nan 8.150 nan 0.000 0.449 334 A N -0.144 122.201 122.820 -0.793 0.000 2.584 334 A HA 0.273 4.594 4.320 0.001 0.000 0.239 334 A C 1.492 178.891 177.584 -0.307 0.000 1.043 334 A CA 0.611 52.216 52.037 -0.721 0.000 0.756 334 A CB -0.056 18.801 19.000 -0.239 0.000 0.963 334 A HN 0.392 nan 8.150 nan 0.000 0.511 335 S N 1.363 116.923 115.700 -0.232 0.000 2.374 335 S HA -0.188 4.283 4.470 0.001 0.000 0.227 335 S C 2.289 176.860 174.600 -0.049 0.000 1.037 335 S CA 1.952 60.093 58.200 -0.099 0.000 1.024 335 S CB -0.359 62.807 63.200 -0.057 0.000 0.861 335 S HN 1.160 nan 8.310 nan 0.000 0.456 336 S N 0.967 116.644 115.700 -0.039 0.000 2.474 336 S HA 0.094 4.565 4.470 0.001 0.000 0.235 336 S C 1.202 175.800 174.600 -0.003 0.000 0.997 336 S CA 0.611 58.804 58.200 -0.011 0.000 0.949 336 S CB -0.368 62.832 63.200 -0.000 0.000 0.766 336 S HN 0.454 nan 8.310 nan 0.000 0.517 337 L N 0.803 122.018 121.223 -0.013 0.000 2.818 337 L HA 0.444 4.784 4.340 0.001 0.000 0.243 337 L C 1.518 178.448 176.870 0.099 0.000 1.185 337 L CA 0.174 55.041 54.840 0.045 0.000 0.988 337 L CB -0.064 41.988 42.059 -0.010 0.000 1.292 337 L HN 0.514 nan 8.230 nan 0.000 0.519 338 G N -0.145 108.681 108.800 0.044 0.000 2.157 338 G HA2 -0.218 3.743 3.960 0.001 0.000 0.239 338 G HA3 -0.218 3.743 3.960 0.001 0.000 0.239 338 G C 0.529 175.450 174.900 0.034 0.000 0.982 338 G CA -0.162 44.964 45.100 0.044 0.000 0.650 338 G HN 0.507 nan 8.290 nan 0.000 0.527 339 G N -0.916 107.889 108.800 0.009 0.000 2.563 339 G HA2 0.595 4.556 3.960 0.001 0.000 0.283 339 G HA3 0.595 4.556 3.960 0.001 0.000 0.283 339 G C 1.446 176.334 174.900 -0.021 0.000 1.309 339 G CA 0.751 45.851 45.100 0.000 0.000 1.022 339 G HN 1.288 nan 8.290 nan 0.000 0.501 340 V N -2.519 117.399 119.914 0.007 0.000 3.041 340 V HA 0.478 4.599 4.120 0.001 0.000 0.260 340 V C 1.149 177.231 176.094 -0.020 0.000 1.105 340 V CA 0.765 63.079 62.300 0.023 0.000 1.125 340 V CB -1.331 30.550 31.823 0.096 0.000 0.730 340 V HN 2.177 nan 8.190 nan 0.000 0.479 341 G N -0.471 108.253 108.800 -0.127 0.000 2.770 341 G HA2 -0.032 3.929 3.960 0.001 0.000 0.686 341 G HA3 -0.032 3.929 3.960 0.001 0.000 0.686 341 G C -0.800 173.973 174.900 -0.212 0.000 1.180 341 G CA -0.554 44.423 45.100 -0.205 0.000 0.767 341 G HN 0.348 nan 8.290 nan 0.000 0.646 342 F N 1.327 121.289 119.950 0.021 0.000 2.485 342 F HA 0.557 5.085 4.527 0.001 0.000 0.327 342 F C 1.555 177.362 175.800 0.012 0.000 1.203 342 F CA 0.577 58.580 58.000 0.004 0.000 1.295 342 F CB 0.273 39.275 39.000 0.003 0.000 1.191 342 F HN 0.987 nan 8.300 nan 0.000 0.588 343 A N 0.901 123.850 122.820 0.216 0.000 2.536 343 A HA 0.051 4.372 4.320 0.001 0.000 0.234 343 A C 0.274 177.919 177.584 0.101 0.000 1.076 343 A CA -0.508 51.603 52.037 0.124 0.000 0.769 343 A CB -0.323 18.733 19.000 0.093 0.000 1.020 343 A HN 0.755 nan 8.150 nan 0.000 0.508 344 E N -0.087 120.149 120.200 0.061 0.000 2.452 344 E HA 0.301 4.652 4.350 0.001 0.000 0.261 344 E C 1.123 177.728 176.600 0.009 0.000 0.987 344 E CA 1.046 57.469 56.400 0.038 0.000 0.926 344 E CB 0.150 29.864 29.700 0.024 0.000 0.934 344 E HN 1.354 nan 8.360 nan 0.000 0.452 345 G N 1.929 110.728 108.800 -0.002 0.000 2.148 345 G HA2 -0.271 3.689 3.960 0.001 0.000 0.254 345 G HA3 -0.271 3.689 3.960 0.001 0.000 0.254 345 G C 0.044 174.880 174.900 -0.107 0.000 0.981 345 G CA 0.103 45.174 45.100 -0.048 0.000 0.670 345 G HN 0.391 nan 8.290 nan 0.000 0.528 346 V N 2.232 122.108 119.914 -0.064 0.000 2.350 346 V HA 0.578 4.699 4.120 0.001 0.000 0.285 346 V C 0.984 176.998 176.094 -0.134 0.000 1.014 346 V CA -0.120 62.096 62.300 -0.140 0.000 0.831 346 V CB 1.236 33.018 31.823 -0.068 0.000 1.000 346 V HN 0.667 nan 8.190 nan 0.000 0.433 347 T N 2.041 116.496 114.554 -0.166 0.000 2.856 347 T HA 0.179 4.529 4.350 0.001 0.000 0.306 347 T C 1.311 175.735 174.700 -0.460 0.000 1.062 347 T CA -0.182 61.810 62.100 -0.180 0.000 1.083 347 T CB 0.857 69.671 68.868 -0.090 0.000 0.984 347 T HN 0.606 nan 8.240 nan 0.000 0.542 348 M N 1.523 120.846 119.600 -0.461 0.000 2.159 348 M HA 0.001 4.482 4.480 0.001 0.000 0.263 348 M C 2.244 178.349 176.300 -0.325 0.000 1.063 348 M CA 2.255 57.201 55.300 -0.590 0.000 1.110 348 M CB -1.057 31.498 32.600 -0.075 0.000 1.374 348 M HN 0.928 nan 8.290 nan 0.000 0.411 349 G N -1.104 107.591 108.800 -0.174 0.000 2.440 349 G HA2 -0.325 3.636 3.960 0.001 0.000 0.218 349 G HA3 -0.325 3.636 3.960 0.001 0.000 0.218 349 G C 1.188 176.026 174.900 -0.104 0.000 1.154 349 G CA 1.547 46.584 45.100 -0.104 0.000 0.767 349 G HN 0.678 nan 8.290 nan 0.000 0.552 350 H N -0.508 118.437 119.070 -0.208 0.000 2.363 350 H HA 0.007 4.564 4.556 0.001 0.000 0.301 350 H C 2.590 177.804 175.328 -0.191 0.000 1.074 350 H CA 1.752 57.699 56.048 -0.169 0.000 1.354 350 H CB 0.025 29.694 29.762 -0.154 0.000 1.397 350 H HN 0.314 nan 8.280 nan 0.000 0.516 351 Q N 0.504 120.179 119.800 -0.209 0.000 2.124 351 Q HA -0.095 4.246 4.340 0.001 0.000 0.202 351 Q C 2.267 178.173 176.000 -0.157 0.000 0.977 351 Q CA 1.568 57.242 55.803 -0.215 0.000 0.850 351 Q CB -0.383 28.114 28.738 -0.402 0.000 0.901 351 Q HN 0.603 nan 8.270 nan 0.000 0.429 352 L N -0.701 120.429 121.223 -0.155 0.000 2.017 352 L HA -0.177 4.164 4.340 0.001 0.000 0.208 352 L C 2.135 178.948 176.870 -0.094 0.000 1.073 352 L CA 0.730 55.520 54.840 -0.083 0.000 0.745 352 L CB -0.508 41.512 42.059 -0.064 0.000 0.894 352 L HN 0.304 nan 8.230 nan 0.000 0.432 353 L N -0.607 120.528 121.223 -0.147 0.000 2.042 353 L HA -0.181 4.160 4.340 0.001 0.000 0.210 353 L C 2.329 179.096 176.870 -0.172 0.000 1.076 353 L CA 1.679 56.424 54.840 -0.159 0.000 0.749 353 L CB -0.409 41.527 42.059 -0.204 0.000 0.893 353 L HN -0.052 nan 8.230 nan 0.000 0.432 354 V N -0.607 119.170 119.914 -0.227 0.000 2.427 354 V HA -0.236 3.884 4.120 0.001 0.000 0.248 354 V C 2.631 178.678 176.094 -0.078 0.000 1.051 354 V CA 1.354 63.548 62.300 -0.177 0.000 1.048 354 V CB -0.575 31.140 31.823 -0.180 0.000 0.666 354 V HN 0.497 nan 8.190 nan 0.000 0.456 355 Q N -0.126 119.647 119.800 -0.045 0.000 2.050 355 Q HA -0.136 4.204 4.340 0.001 0.000 0.202 355 Q C 2.288 178.294 176.000 0.009 0.000 0.980 355 Q CA 1.647 57.456 55.803 0.009 0.000 0.840 355 Q CB -0.574 28.189 28.738 0.042 0.000 0.898 355 Q HN 0.533 nan 8.270 nan 0.000 0.424 356 L N 0.560 121.777 121.223 -0.010 0.000 2.046 356 L HA -0.194 4.147 4.340 0.001 0.000 0.208 356 L C 2.303 179.170 176.870 -0.004 0.000 1.077 356 L CA 1.214 56.054 54.840 0.001 0.000 0.747 356 L CB -0.390 41.663 42.059 -0.011 0.000 0.896 356 L HN 0.255 nan 8.230 nan 0.000 0.432 357 E N -0.311 119.867 120.200 -0.036 0.000 2.077 357 E HA -0.163 4.187 4.350 0.001 0.000 0.193 357 E C 2.318 178.908 176.600 -0.017 0.000 0.989 357 E CA 1.409 57.786 56.400 -0.039 0.000 0.800 357 E CB -0.032 29.613 29.700 -0.092 0.000 0.746 357 E HN 0.354 nan 8.360 nan 0.000 0.452 358 S N 0.845 116.533 115.700 -0.020 0.000 2.368 358 S HA -0.145 4.326 4.470 0.001 0.000 0.225 358 S C 2.036 176.647 174.600 0.018 0.000 1.030 358 S CA 0.881 59.074 58.200 -0.012 0.000 0.999 358 S CB -0.176 63.017 63.200 -0.012 0.000 0.844 358 S HN 0.200 nan 8.310 nan 0.000 0.459 359 I N 1.569 122.163 120.570 0.041 0.000 2.252 359 I HA -0.185 3.986 4.170 0.001 0.000 0.245 359 I C 2.701 178.866 176.117 0.080 0.000 1.102 359 I CA 1.055 62.398 61.300 0.072 0.000 1.385 359 I CB -0.476 37.575 38.000 0.085 0.000 1.064 359 I HN 0.269 nan 8.210 nan 0.000 0.414 360 A N 0.976 123.835 122.820 0.065 0.000 1.877 360 A HA -0.174 4.147 4.320 0.001 0.000 0.216 360 A C 2.283 179.926 177.584 0.098 0.000 1.186 360 A CA 1.494 53.574 52.037 0.072 0.000 0.620 360 A CB -0.830 18.200 19.000 0.049 0.000 0.822 360 A HN 0.348 nan 8.150 nan 0.000 0.443 361 I N -0.297 120.330 120.570 0.095 0.000 2.208 361 I HA -0.247 3.924 4.170 0.001 0.000 0.245 361 I C 2.626 178.856 176.117 0.189 0.000 1.097 361 I CA 1.825 63.215 61.300 0.151 0.000 1.363 361 I CB -0.416 37.655 38.000 0.119 0.000 1.051 361 I HN 0.282 nan 8.210 nan 0.000 0.413 362 T N 0.911 115.533 114.554 0.113 0.000 2.674 362 T HA -0.137 4.214 4.350 0.001 0.000 0.265 362 T C 1.926 176.742 174.700 0.194 0.000 1.039 362 T CA 1.457 63.627 62.100 0.116 0.000 1.150 362 T CB -0.316 68.590 68.868 0.064 0.000 0.864 362 T HN 0.213 nan 8.240 nan 0.000 0.427 363 I N 0.839 121.512 120.570 0.171 0.000 2.118 363 I HA -0.194 3.977 4.170 0.001 0.000 0.241 363 I C 2.494 178.723 176.117 0.187 0.000 1.070 363 I CA 1.205 62.610 61.300 0.175 0.000 1.327 363 I CB -0.452 37.631 38.000 0.138 0.000 1.034 363 I HN 0.094 nan 8.210 nan 0.000 0.405 364 V N -0.141 119.877 119.914 0.173 0.000 2.358 364 V HA -0.264 3.857 4.120 0.001 0.000 0.246 364 V C 2.059 178.268 176.094 0.190 0.000 1.047 364 V CA 1.562 63.950 62.300 0.147 0.000 1.035 364 V CB -0.691 31.194 31.823 0.103 0.000 0.658 364 V HN 0.602 nan 8.190 nan 0.000 0.452 365 W N 0.756 122.093 121.300 0.061 0.000 2.354 365 W HA -0.206 4.456 4.660 0.004 0.000 0.315 365 W C 2.889 179.460 176.519 0.086 0.000 1.206 365 W CA 2.293 59.669 57.345 0.051 0.000 1.290 365 W CB -0.610 28.867 29.460 0.028 0.000 1.152 365 W HN 0.362 nan 8.180 nan 0.000 0.489 366 S N 0.201 116.186 115.700 0.476 0.000 2.368 366 S HA -0.102 4.369 4.470 0.001 0.000 0.225 366 S C 2.052 176.928 174.600 0.459 0.000 1.030 366 S CA 2.080 60.578 58.200 0.497 0.000 0.999 366 S CB -0.872 62.631 63.200 0.505 0.000 0.844 366 S HN 0.284 nan 8.310 nan 0.000 0.459 367 G N 0.881 109.874 108.800 0.321 0.000 2.433 367 G HA2 -0.132 3.829 3.960 0.001 0.000 0.216 367 G HA3 -0.132 3.829 3.960 0.001 0.000 0.216 367 G C 1.502 176.560 174.900 0.264 0.000 1.186 367 G CA 1.075 46.338 45.100 0.272 0.000 0.779 367 G HN 0.463 nan 8.290 nan 0.000 0.543 368 V N 0.660 120.671 119.914 0.161 0.000 2.287 368 V HA -0.201 3.919 4.120 0.001 0.000 0.248 368 V C 3.049 179.243 176.094 0.167 0.000 1.053 368 V CA 1.722 64.085 62.300 0.105 0.000 1.027 368 V CB -0.584 31.209 31.823 -0.049 0.000 0.646 368 V HN 0.249 nan 8.190 nan 0.000 0.447 369 V N 0.140 120.142 119.914 0.148 0.000 2.358 369 V HA -0.193 3.928 4.120 0.001 0.000 0.246 369 V C 2.700 178.981 176.094 0.312 0.000 1.047 369 V CA 1.733 64.131 62.300 0.164 0.000 1.035 369 V CB -1.177 30.710 31.823 0.106 0.000 0.658 369 V HN 0.544 nan 8.190 nan 0.000 0.452 370 A N -0.074 123.037 122.820 0.485 0.000 1.865 370 A HA -0.282 4.038 4.320 0.001 0.000 0.217 370 A C 2.134 179.963 177.584 0.409 0.000 1.191 370 A CA 2.244 54.561 52.037 0.467 0.000 0.623 370 A CB -0.845 18.445 19.000 0.484 0.000 0.826 370 A HN 0.496 nan 8.150 nan 0.000 0.444 371 F N 0.398 120.532 119.950 0.308 0.000 2.095 371 F HA -0.193 4.333 4.527 -0.001 0.000 0.298 371 F C 2.009 177.943 175.800 0.224 0.000 1.104 371 F CA 1.925 60.099 58.000 0.290 0.000 1.232 371 F CB -0.230 38.886 39.000 0.193 0.000 0.987 371 F HN 0.190 nan 8.300 nan 0.000 0.475 372 I N -0.215 120.512 120.570 0.261 0.000 2.226 372 I HA -0.226 3.945 4.170 0.001 0.000 0.245 372 I C 2.744 178.897 176.117 0.060 0.000 1.100 372 I CA 1.355 62.728 61.300 0.122 0.000 1.374 372 I CB -1.228 36.836 38.000 0.107 0.000 1.057 372 I HN 0.274 nan 8.210 nan 0.000 0.413 373 G N 0.153 109.004 108.800 0.084 0.000 2.459 373 G HA2 -0.274 3.686 3.960 0.001 0.000 0.217 373 G HA3 -0.274 3.686 3.960 0.001 0.000 0.217 373 G C 1.444 176.432 174.900 0.148 0.000 1.183 373 G CA 0.786 45.926 45.100 0.067 0.000 0.776 373 G HN 0.267 nan 8.290 nan 0.000 0.552 374 Y N 1.147 121.591 120.300 0.240 0.000 2.242 374 Y HA 0.021 4.571 4.550 0.000 0.000 0.291 374 Y C 2.842 178.690 175.900 -0.088 0.000 1.137 374 Y CA 1.110 59.230 58.100 0.034 0.000 1.181 374 Y CB -0.011 38.386 38.460 -0.106 0.000 0.989 374 Y HN 0.032 nan 8.280 nan 0.000 0.527 375 K N -0.269 120.102 120.400 -0.048 0.000 2.062 375 K HA -0.110 4.211 4.320 0.001 0.000 0.205 375 K C 2.122 178.705 176.600 -0.028 0.000 1.051 375 K CA 0.684 56.893 56.287 -0.130 0.000 0.941 375 K CB -0.888 31.436 32.500 -0.292 0.000 0.719 375 K HN 0.264 nan 8.250 nan 0.000 0.440 376 L N 1.505 122.732 121.223 0.006 0.000 2.012 376 L HA -0.158 4.183 4.340 0.001 0.000 0.210 376 L C 2.229 179.124 176.870 0.041 0.000 1.073 376 L CA 2.057 56.911 54.840 0.024 0.000 0.748 376 L CB -0.901 41.175 42.059 0.027 0.000 0.891 376 L HN 0.160 nan 8.230 nan 0.000 0.431 377 A N -1.043 121.822 122.820 0.074 0.000 1.877 377 A HA -0.273 4.047 4.320 0.001 0.000 0.216 377 A C 2.154 179.774 177.584 0.060 0.000 1.186 377 A CA 1.885 53.975 52.037 0.089 0.000 0.620 377 A CB -0.997 18.092 19.000 0.149 0.000 0.822 377 A HN 0.550 nan 8.150 nan 0.000 0.443 378 D N -0.138 120.288 120.400 0.044 0.000 2.149 378 D HA -0.095 4.545 4.640 0.001 0.000 0.198 378 D C 1.678 177.983 176.300 0.010 0.000 0.990 378 D CA 1.024 55.033 54.000 0.015 0.000 0.839 378 D CB -0.186 40.605 40.800 -0.015 0.000 0.948 378 D HN 0.441 nan 8.370 nan 0.000 0.460 379 L N -0.445 120.784 121.223 0.010 0.000 2.492 379 L HA 0.027 4.367 4.340 0.001 0.000 0.223 379 L C 1.903 178.782 176.870 0.014 0.000 1.132 379 L CA 0.744 55.589 54.840 0.009 0.000 0.850 379 L CB 0.036 42.099 42.059 0.006 0.000 0.966 379 L HN 0.050 nan 8.230 nan 0.000 0.454 380 T N -2.042 112.525 114.554 0.022 0.000 3.044 380 T HA 0.000 4.351 4.350 0.001 0.000 0.237 380 T C 1.478 176.193 174.700 0.025 0.000 1.001 380 T CA 1.004 63.118 62.100 0.024 0.000 1.160 380 T CB 0.024 68.910 68.868 0.030 0.000 0.889 380 T HN 0.176 nan 8.240 nan 0.000 0.442 381 V N -1.718 118.216 119.914 0.033 0.000 3.612 381 V HA 0.695 4.816 4.120 0.001 0.000 0.268 381 V C 0.849 176.961 176.094 0.030 0.000 1.365 381 V CA 0.256 62.577 62.300 0.034 0.000 1.044 381 V CB -0.449 31.403 31.823 0.048 0.000 0.820 381 V HN 0.817 nan 8.190 nan 0.000 0.444 382 G N 0.252 109.069 108.800 0.028 0.000 2.895 382 G HA2 -0.131 3.830 3.960 0.001 0.000 0.686 382 G HA3 -0.131 3.830 3.960 0.001 0.000 0.686 382 G C -0.266 174.647 174.900 0.022 0.000 1.108 382 G CA 0.002 45.112 45.100 0.017 0.000 0.761 382 G HN 0.313 nan 8.290 nan 0.000 0.611 383 L N 1.345 122.572 121.223 0.006 0.000 2.084 383 L HA 0.163 4.504 4.340 0.001 0.000 0.202 383 L C 2.153 179.010 176.870 -0.022 0.000 1.074 383 L CA 0.722 55.562 54.840 -0.000 0.000 0.757 383 L CB -0.149 41.889 42.059 -0.034 0.000 0.918 383 L HN 0.612 nan 8.230 nan 0.000 0.444 384 R N 0.519 120.995 120.500 -0.038 0.000 2.449 384 R HA 0.068 4.409 4.340 0.001 0.000 0.296 384 R C -0.243 176.043 176.300 -0.023 0.000 1.047 384 R CA -0.276 55.796 56.100 -0.046 0.000 1.018 384 R CB 0.910 31.178 30.300 -0.053 0.000 0.962 384 R HN -0.023 nan 8.270 nan 0.000 0.428 385 V N 6.634 126.533 119.914 -0.024 0.000 2.644 385 V HA 0.018 4.139 4.120 0.001 0.000 0.305 385 V C -1.274 174.816 176.094 -0.007 0.000 1.053 385 V CA -1.044 61.251 62.300 -0.007 0.000 1.186 385 V CB 0.380 32.194 31.823 -0.016 0.000 0.895 385 V HN 0.747 nan 8.190 nan 0.000 0.490 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.101 63.100 0.002 0.000 0.800 386 P CB 0.000 31.706 31.700 0.011 0.000 0.726