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 2cfm_1_A DATA FIRST_RESID 2 DATA SEQUENCE RYLELAQLYQ KLEKTTXKLI KTRLVADFLK KVPDDHLEFI PYLILGEVFP DATA SEQUENCE EWDERELGVG EKLLIKAVAX ATGIDAKEIE ESVKDTGDLG ESIALAVKKK DATA SEQUENCE KQKSFFSQPL TIKRVYQTLV KVAETTGEGS QDKKVKYLAD LFXDAEPLEA DATA SEQUENCE KYLARTILGT XRTGVAEGLL RDAIAXAFHV KVELVERAYX LTSDFGYVAK DATA SEQUENCE IAKLEGNEGL AKVQVQLGKP IKPXLAQQAA SIRDALLEXG GEAEFEIKYD DATA SEQUENCE GARVQVHKDG SKIIVYSRRL ENVTRAIPEI VEALKEAIIP EKAIVEGELV DATA SEQUENCE AIGENGRPLP FQYVLRRFRR KHNIEEXXEK IPLELNLFDV LYVDGQSLID DATA SEQUENCE TKFIDRRRTL EEIIKQNEKI KVAENLITKK VEEAEAFYKR ALEXGHEGLX DATA SEQUENCE AKRLDAVYEP GNRGKKWLKI KPTXENLDLV IIGAEWGEGR RAHLFGSFIL DATA SEQUENCE GAYDPETGEF LEVGKVGSGF TDDDLVEFTK XLKPLIIKEE GKRVWLQPKV DATA SEQUENCE VIEVTYQEIQ KSPKYRSGFA LRFPRFVALR DDKGPEDADT IERIAQLYEL DATA SEQUENCE QEKXKGKVES 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.402 176.300 0.170 0.000 0.893 2 R CA 0.000 56.174 56.100 0.123 0.000 0.921 2 R CB 0.000 nan 30.300 nan 0.000 0.687 3 Y N 1.579 121.932 120.300 0.088 0.000 2.403 3 Y HA -0.059 4.490 4.550 -0.001 0.000 0.291 3 Y C 1.859 177.792 175.900 0.055 0.000 1.143 3 Y CA 2.480 60.632 58.100 0.087 0.000 1.257 3 Y CB 0.200 38.706 38.460 0.077 0.000 0.984 3 Y HN 0.745 nan 8.280 nan 0.000 0.550 4 L N 0.673 121.923 121.223 0.045 0.000 2.042 4 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 4 L C 2.190 178.993 176.870 -0.111 0.000 1.076 4 L CA 2.032 56.858 54.840 -0.024 0.000 0.749 4 L CB -0.832 41.251 42.059 0.041 0.000 0.893 4 L HN 0.274 nan 8.230 nan 0.000 0.432 5 E N -1.059 119.107 120.200 -0.058 0.000 2.110 5 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 5 E C 2.073 178.568 176.600 -0.174 0.000 0.988 5 E CA 1.264 57.646 56.400 -0.029 0.000 0.804 5 E CB -0.164 29.594 29.700 0.096 0.000 0.745 5 E HN 0.423 nan 8.360 nan 0.000 0.458 6 L N 0.500 121.528 121.223 -0.324 0.000 2.072 6 L HA -0.005 4.334 4.340 -0.001 0.000 0.205 6 L C 2.121 178.296 176.870 -1.157 0.000 1.079 6 L CA 1.852 56.196 54.840 -0.828 0.000 0.752 6 L CB -0.607 41.063 42.059 -0.648 0.000 0.906 6 L HN -0.007 nan 8.230 nan 0.000 0.436 7 A N -0.970 121.347 122.820 -0.838 0.000 1.933 7 A HA -0.250 4.070 4.320 -0.001 0.000 0.218 7 A C 2.172 179.528 177.584 -0.380 0.000 1.175 7 A CA 1.787 53.528 52.037 -0.493 0.000 0.628 7 A CB -0.555 18.391 19.000 -0.090 0.000 0.814 7 A HN 0.660 nan 8.150 nan 0.000 0.444 8 Q N -1.166 118.457 119.800 -0.295 0.000 2.167 8 Q HA -0.118 4.221 4.340 -0.001 0.000 0.202 8 Q C 2.037 177.875 176.000 -0.270 0.000 0.970 8 Q CA 1.294 56.985 55.803 -0.186 0.000 0.855 8 Q CB -0.293 28.377 28.738 -0.113 0.000 0.911 8 Q HN 0.634 nan 8.270 nan 0.000 0.438 9 L N -0.547 120.389 121.223 -0.479 0.000 2.027 9 L HA -0.156 4.183 4.340 -0.001 0.000 0.206 9 L C 1.855 178.468 176.870 -0.429 0.000 1.074 9 L CA 1.664 56.190 54.840 -0.522 0.000 0.745 9 L CB -0.590 40.910 42.059 -0.932 0.000 0.898 9 L HN 0.186 nan 8.230 nan 0.000 0.433 10 Y N -0.286 119.669 120.300 -0.574 0.000 2.151 10 Y HA -0.359 4.190 4.550 -0.001 0.000 0.284 10 Y C 2.869 178.507 175.900 -0.437 0.000 1.166 10 Y CA 1.476 59.185 58.100 -0.651 0.000 1.163 10 Y CB -0.350 37.315 38.460 -1.326 0.000 0.974 10 Y HN 0.400 nan 8.280 nan 0.000 0.511 11 Q N 1.031 120.722 119.800 -0.182 0.000 2.050 11 Q HA -0.218 4.122 4.340 -0.001 0.000 0.202 11 Q C 1.946 177.948 176.000 0.002 0.000 0.980 11 Q CA 1.771 57.606 55.803 0.052 0.000 0.840 11 Q CB -0.024 28.783 28.738 0.114 0.000 0.898 11 Q HN 0.419 nan 8.270 nan 0.000 0.424 12 K N 0.084 120.449 120.400 -0.059 0.000 2.097 12 K HA -0.124 4.196 4.320 -0.001 0.000 0.206 12 K C 2.148 178.719 176.600 -0.049 0.000 1.049 12 K CA 1.234 57.489 56.287 -0.053 0.000 0.933 12 K CB -0.119 32.333 32.500 -0.080 0.000 0.717 12 K HN 0.253 nan 8.250 nan 0.000 0.442 13 L N 1.112 122.294 121.223 -0.069 0.000 2.083 13 L HA -0.195 4.144 4.340 -0.001 0.000 0.209 13 L C 2.082 178.941 176.870 -0.018 0.000 1.083 13 L CA 1.374 56.183 54.840 -0.052 0.000 0.752 13 L CB -0.344 41.680 42.059 -0.058 0.000 0.899 13 L HN 0.230 nan 8.230 nan 0.000 0.433 14 E N 0.034 120.238 120.200 0.006 0.000 2.274 14 E HA -0.155 4.194 4.350 -0.001 0.000 0.194 14 E C 1.579 178.193 176.600 0.022 0.000 0.996 14 E CA 0.601 57.020 56.400 0.031 0.000 0.840 14 E CB 0.094 29.843 29.700 0.083 0.000 0.772 14 E HN 0.433 nan 8.360 nan 0.000 0.491 15 K N 0.438 120.846 120.400 0.013 0.000 2.458 15 K HA 0.056 4.375 4.320 -0.001 0.000 0.194 15 K C 0.447 177.044 176.600 -0.004 0.000 1.024 15 K CA 0.259 56.551 56.287 0.008 0.000 1.108 15 K CB 0.615 33.120 32.500 0.008 0.000 0.846 15 K HN -0.105 nan 8.250 nan 0.000 0.518 16 T N 0.586 115.135 114.554 -0.009 0.000 2.900 16 T HA 0.242 4.592 4.350 -0.001 0.000 0.295 16 T C -0.325 174.367 174.700 -0.013 0.000 1.044 16 T CA -0.687 61.404 62.100 -0.014 0.000 0.995 16 T CB 1.613 70.468 68.868 -0.023 0.000 1.072 16 T HN 0.188 nan 8.240 nan 0.000 0.473 20 L N 1.404 122.601 121.223 -0.044 0.000 2.083 20 L HA 0.026 4.365 4.340 -0.001 0.000 0.209 20 L C 1.910 178.749 176.870 -0.051 0.000 1.083 20 L CA 0.869 55.681 54.840 -0.048 0.000 0.752 20 L CB -0.409 41.625 42.059 -0.041 0.000 0.899 20 L HN 0.269 nan 8.230 nan 0.000 0.433 21 I N 0.024 120.566 120.570 -0.046 0.000 2.286 21 I HA -0.217 3.952 4.170 -0.001 0.000 0.245 21 I C 2.424 178.506 176.117 -0.058 0.000 1.104 21 I CA 1.429 62.701 61.300 -0.048 0.000 1.397 21 I CB -0.936 37.041 38.000 -0.039 0.000 1.072 21 I HN 0.241 nan 8.210 nan 0.000 0.417 22 K N 0.275 120.641 120.400 -0.058 0.000 2.057 22 K HA -0.142 4.177 4.320 -0.001 0.000 0.207 22 K C 2.062 178.610 176.600 -0.087 0.000 1.049 22 K CA 1.877 58.122 56.287 -0.069 0.000 0.931 22 K CB -0.295 32.169 32.500 -0.060 0.000 0.714 22 K HN 0.283 nan 8.250 nan 0.000 0.440 23 T N 0.906 115.409 114.554 -0.086 0.000 2.720 23 T HA -0.133 4.216 4.350 -0.001 0.000 0.268 23 T C 1.848 176.481 174.700 -0.112 0.000 1.037 23 T CA 0.988 63.026 62.100 -0.104 0.000 1.144 23 T CB -0.073 68.738 68.868 -0.095 0.000 0.864 23 T HN 0.110 nan 8.240 nan 0.000 0.444 24 R N 0.879 121.323 120.500 -0.094 0.000 2.073 24 R HA 0.067 4.406 4.340 -0.001 0.000 0.234 24 R C 2.471 178.717 176.300 -0.091 0.000 1.134 24 R CA 1.238 57.282 56.100 -0.092 0.000 0.952 24 R CB -1.098 29.160 30.300 -0.071 0.000 0.850 24 R HN 0.417 nan 8.270 nan 0.000 0.433 25 L N 0.067 121.240 121.223 -0.083 0.000 2.012 25 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 25 L C 2.515 179.338 176.870 -0.078 0.000 1.073 25 L CA 1.300 56.091 54.840 -0.081 0.000 0.748 25 L CB -0.507 41.495 42.059 -0.095 0.000 0.891 25 L HN -0.013 nan 8.230 nan 0.000 0.431 26 V N -0.228 119.624 119.914 -0.103 0.000 2.358 26 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 26 V C 2.697 178.742 176.094 -0.083 0.000 1.047 26 V CA 1.732 63.976 62.300 -0.094 0.000 1.035 26 V CB -0.875 30.867 31.823 -0.135 0.000 0.658 26 V HN 0.489 nan 8.190 nan 0.000 0.452 27 A N -0.086 122.644 122.820 -0.151 0.000 1.877 27 A HA -0.256 4.064 4.320 -0.001 0.000 0.216 27 A C 2.021 179.470 177.584 -0.224 0.000 1.186 27 A CA 2.041 53.931 52.037 -0.244 0.000 0.620 27 A CB -0.659 18.188 19.000 -0.256 0.000 0.822 27 A HN 0.522 nan 8.150 nan 0.000 0.443 28 D N -1.189 119.131 120.400 -0.133 0.000 2.117 28 D HA -0.136 4.504 4.640 -0.001 0.000 0.197 28 D C 1.609 177.865 176.300 -0.073 0.000 0.987 28 D CA 1.242 55.181 54.000 -0.103 0.000 0.829 28 D CB -0.409 40.355 40.800 -0.060 0.000 0.961 28 D HN 0.468 nan 8.370 nan 0.000 0.460 29 F N 1.321 121.165 119.950 -0.177 0.000 2.102 29 F HA -0.104 4.422 4.527 -0.001 0.000 0.298 29 F C 2.183 177.887 175.800 -0.160 0.000 1.105 29 F CA 1.030 58.929 58.000 -0.167 0.000 1.239 29 F CB -0.369 38.520 39.000 -0.185 0.000 0.991 29 F HN -0.128 nan 8.300 nan 0.000 0.474 30 L N 0.349 121.496 121.223 -0.127 0.000 2.081 30 L HA -0.286 4.054 4.340 -0.001 0.000 0.212 30 L C 2.390 179.144 176.870 -0.192 0.000 1.080 30 L CA 1.655 56.381 54.840 -0.191 0.000 0.754 30 L CB -0.752 41.160 42.059 -0.246 0.000 0.893 30 L HN 0.128 nan 8.230 nan 0.000 0.433 31 K N -0.291 119.949 120.400 -0.267 0.000 2.209 31 K HA -0.144 4.175 4.320 -0.001 0.000 0.204 31 K C 1.826 178.357 176.600 -0.116 0.000 1.048 31 K CA 0.840 57.045 56.287 -0.136 0.000 0.940 31 K CB 0.016 32.421 32.500 -0.158 0.000 0.729 31 K HN 0.147 nan 8.250 nan 0.000 0.451 32 K N 0.511 120.762 120.400 -0.248 0.000 2.356 32 K HA 0.100 4.420 4.320 -0.001 0.000 0.195 32 K C 0.433 176.819 176.600 -0.356 0.000 1.037 32 K CA 0.091 56.213 56.287 -0.275 0.000 1.014 32 K CB 0.065 32.388 32.500 -0.296 0.000 0.815 32 K HN -0.107 nan 8.250 nan 0.000 0.507 33 V N 4.300 123.944 119.914 -0.450 0.000 2.599 33 V HA 0.000 4.120 4.120 -0.001 0.000 0.300 33 V C -2.113 173.795 176.094 -0.310 0.000 1.034 33 V CA -1.035 60.995 62.300 -0.450 0.000 1.115 33 V CB 0.192 31.785 31.823 -0.384 0.000 0.934 33 V HN 0.063 nan 8.190 nan 0.000 0.485 34 P HA 0.110 nan 4.420 nan 0.000 0.269 34 P C 0.362 177.568 177.300 -0.157 0.000 1.209 34 P CA -0.196 62.739 63.100 -0.275 0.000 0.776 34 P CB 0.501 31.970 31.700 -0.386 0.000 0.876 35 D N 1.465 121.804 120.400 -0.102 0.000 2.149 35 D HA -0.207 4.432 4.640 -0.001 0.000 0.194 35 D C 1.119 177.395 176.300 -0.040 0.000 1.001 35 D CA 1.626 55.574 54.000 -0.088 0.000 0.849 35 D CB -0.530 40.226 40.800 -0.074 0.000 0.939 35 D HN 0.558 nan 8.370 nan 0.000 0.449 36 D N -0.890 119.536 120.400 0.042 0.000 2.352 36 D HA -0.123 4.516 4.640 -0.001 0.000 0.232 36 D C 1.063 177.431 176.300 0.114 0.000 1.055 36 D CA 0.601 54.662 54.000 0.101 0.000 0.891 36 D CB -0.712 40.173 40.800 0.142 0.000 0.897 36 D HN 0.448 nan 8.370 nan 0.000 0.529 37 H N -0.494 118.430 119.070 -0.242 0.000 2.740 37 H HA 0.240 4.795 4.556 -0.001 0.000 0.265 37 H C 1.933 176.742 175.328 -0.865 0.000 0.978 37 H CA -0.221 55.417 56.048 -0.683 0.000 1.198 37 H CB 0.954 30.422 29.762 -0.489 0.000 1.467 37 H HN 0.091 nan 8.280 nan 0.000 0.511 38 L N 0.928 121.975 121.223 -0.293 0.000 2.079 38 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 38 L C 1.994 178.764 176.870 -0.167 0.000 1.081 38 L CA 1.423 56.133 54.840 -0.216 0.000 0.752 38 L CB -0.251 41.720 42.059 -0.148 0.000 0.896 38 L HN 0.323 nan 8.230 nan 0.000 0.433 39 E N -0.334 119.797 120.200 -0.115 0.000 2.268 39 E HA -0.201 4.149 4.350 -0.001 0.000 0.195 39 E C 1.578 178.283 176.600 0.175 0.000 0.995 39 E CA 1.375 57.829 56.400 0.090 0.000 0.836 39 E CB 0.058 29.862 29.700 0.173 0.000 0.763 39 E HN 0.704 nan 8.360 nan 0.000 0.491 40 F N -2.549 117.394 119.950 -0.011 0.000 2.789 40 F HA 0.294 4.821 4.527 -0.001 0.000 0.320 40 F C 1.612 177.410 175.800 -0.002 0.000 1.079 40 F CA -0.577 57.388 58.000 -0.059 0.000 1.205 40 F CB -0.238 38.331 39.000 -0.718 0.000 1.046 40 F HN -0.192 nan 8.300 nan 0.000 0.586 41 I N 2.705 123.015 120.570 -0.434 0.000 2.264 41 I HA -0.060 4.110 4.170 -0.001 0.000 0.248 41 I C -0.930 175.199 176.117 0.021 0.000 1.111 41 I CA 1.356 62.575 61.300 -0.135 0.000 1.382 41 I CB -1.114 36.781 38.000 -0.176 0.000 1.060 41 I HN -0.020 nan 8.210 nan 0.000 0.418 42 P HA -0.172 nan 4.420 nan 0.000 0.217 42 P C 1.301 178.442 177.300 -0.266 0.000 1.150 42 P CA 1.682 64.659 63.100 -0.204 0.000 0.832 42 P CB -0.159 31.370 31.700 -0.285 0.000 0.787 43 Y N -1.463 118.931 120.300 0.158 0.000 2.200 43 Y HA -0.116 4.434 4.550 -0.001 0.000 0.290 43 Y C 2.174 178.167 175.900 0.156 0.000 1.137 43 Y CA 0.533 58.730 58.100 0.160 0.000 1.163 43 Y CB -1.087 37.473 38.460 0.167 0.000 0.988 43 Y HN -0.154 nan 8.280 nan 0.000 0.518 44 L N -0.060 121.347 121.223 0.306 0.000 2.131 44 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 44 L C 2.040 179.080 176.870 0.284 0.000 1.092 44 L CA 1.499 56.530 54.840 0.318 0.000 0.759 44 L CB -0.749 41.550 42.059 0.401 0.000 0.903 44 L HN 0.254 nan 8.230 nan 0.000 0.435 45 I N -1.343 119.320 120.570 0.155 0.000 2.394 45 I HA -0.290 3.880 4.170 -0.001 0.000 0.251 45 I C 1.852 178.032 176.117 0.105 0.000 1.136 45 I CA 0.963 62.317 61.300 0.090 0.000 1.425 45 I CB -0.131 37.835 38.000 -0.058 0.000 1.079 45 I HN 0.169 nan 8.210 nan 0.000 0.425 46 L N 0.383 121.639 121.223 0.056 0.000 2.599 46 L HA 0.151 4.490 4.340 -0.001 0.000 0.230 46 L C 1.469 178.374 176.870 0.058 0.000 1.141 46 L CA 0.476 55.342 54.840 0.043 0.000 0.877 46 L CB -0.498 41.596 42.059 0.059 0.000 1.009 46 L HN 0.467 nan 8.230 nan 0.000 0.447 47 G N -0.064 108.783 108.800 0.077 0.000 2.147 47 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.244 47 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.244 47 G C 0.028 174.971 174.900 0.072 0.000 1.005 47 G CA -0.082 45.021 45.100 0.005 0.000 0.713 47 G HN 0.307 nan 8.290 nan 0.000 0.515 48 E N -1.020 119.264 120.200 0.140 0.000 2.263 48 E HA 0.583 4.932 4.350 -0.001 0.000 0.264 48 E C 1.469 178.135 176.600 0.111 0.000 0.923 48 E CA -0.084 56.397 56.400 0.135 0.000 0.802 48 E CB 1.834 31.666 29.700 0.220 0.000 1.228 48 E HN 0.520 nan 8.360 nan 0.000 0.417 49 V N -1.826 118.035 119.914 -0.087 0.000 2.685 49 V HA 0.327 4.447 4.120 -0.001 0.000 0.244 49 V C 0.572 176.375 176.094 -0.485 0.000 1.054 49 V CA 0.738 62.823 62.300 -0.358 0.000 1.076 49 V CB -0.281 31.022 31.823 -0.867 0.000 0.725 49 V HN 0.387 nan 8.190 nan 0.000 0.467 50 F N -0.386 119.552 119.950 -0.019 0.000 2.620 50 F HA 0.772 5.298 4.527 -0.001 0.000 0.320 50 F C -2.720 172.718 175.800 -0.604 0.000 1.069 50 F CA -2.914 54.910 58.000 -0.292 0.000 0.953 50 F CB 1.105 39.930 39.000 -0.290 0.000 1.322 50 F HN -0.256 nan 8.300 nan 0.000 0.479 51 P HA 0.140 nan 4.420 nan 0.000 0.272 51 P C -0.154 176.755 177.300 -0.652 0.000 1.223 51 P CA -0.105 62.279 63.100 -1.193 0.000 0.784 51 P CB 0.672 31.233 31.700 -1.898 0.000 0.923 52 E N 1.331 121.372 120.200 -0.264 0.000 2.267 52 E HA -0.174 4.176 4.350 -0.001 0.000 0.197 52 E C 1.206 177.794 176.600 -0.019 0.000 0.998 52 E CA 1.281 57.653 56.400 -0.047 0.000 0.830 52 E CB -0.794 28.977 29.700 0.118 0.000 0.751 52 E HN 0.650 nan 8.360 nan 0.000 0.491 53 W N 0.577 121.869 121.300 -0.014 0.000 3.256 53 W HA 0.256 4.916 4.660 -0.001 0.000 0.269 53 W C 0.657 177.207 176.519 0.053 0.000 1.310 53 W CA 0.070 57.419 57.345 0.005 0.000 1.673 53 W CB -0.198 29.136 29.460 -0.210 0.000 1.115 53 W HN -0.001 nan 8.180 nan 0.000 0.686 54 D N 1.723 121.980 120.400 -0.237 0.000 2.178 54 D HA -0.256 4.383 4.640 -0.001 0.000 0.202 54 D C 1.500 177.706 176.300 -0.157 0.000 0.974 54 D CA 2.208 56.054 54.000 -0.257 0.000 0.841 54 D CB 0.103 40.586 40.800 -0.529 0.000 0.953 54 D HN 0.403 nan 8.370 nan 0.000 0.478 55 E N -1.114 119.014 120.200 -0.121 0.000 4.706 55 E HA -0.230 4.119 4.350 -0.001 0.000 0.192 55 E C -0.086 176.401 176.600 -0.188 0.000 0.898 55 E CA 0.573 56.904 56.400 -0.115 0.000 2.363 55 E CB -1.180 28.461 29.700 -0.098 0.000 1.684 55 E HN 0.172 nan 8.360 nan 0.000 0.549 56 R N 1.693 121.969 120.500 -0.373 0.000 2.594 56 R HA 0.261 4.600 4.340 -0.001 0.000 0.272 56 R C -0.057 176.082 176.300 -0.269 0.000 1.074 56 R CA 1.217 57.035 56.100 -0.470 0.000 1.105 56 R CB 0.648 30.336 30.300 -1.020 0.000 1.008 56 R HN 0.323 nan 8.270 nan 0.000 0.472 57 E N 2.207 122.368 120.200 -0.065 0.000 2.372 57 E HA 0.208 4.558 4.350 -0.001 0.000 0.279 57 E C -1.247 175.428 176.600 0.126 0.000 0.946 57 E CA -0.847 55.614 56.400 0.101 0.000 0.769 57 E CB 1.021 30.753 29.700 0.053 0.000 1.230 57 E HN 0.289 nan 8.360 nan 0.000 0.442 58 L N 2.142 123.459 121.223 0.157 0.000 2.361 58 L HA 0.356 4.696 4.340 -0.001 0.000 0.278 58 L C 1.064 177.979 176.870 0.074 0.000 1.113 58 L CA -0.169 54.736 54.840 0.109 0.000 0.849 58 L CB 0.446 42.556 42.059 0.085 0.000 1.155 58 L HN 0.885 nan 8.230 nan 0.000 0.452 59 G N 4.097 112.933 108.800 0.059 0.000 3.581 59 G HA2 0.359 4.319 3.960 -0.001 0.000 0.255 59 G HA3 0.359 4.319 3.960 -0.001 0.000 0.255 59 G C -0.049 174.875 174.900 0.041 0.000 1.121 59 G CA -0.153 44.973 45.100 0.043 0.000 1.739 59 G HN 0.351 nan 8.290 nan 0.000 0.646 60 V N 0.782 120.725 119.914 0.047 0.000 2.357 60 V HA 0.678 4.797 4.120 -0.001 0.000 0.284 60 V C 0.898 177.015 176.094 0.037 0.000 1.018 60 V CA -0.618 61.708 62.300 0.043 0.000 0.841 60 V CB 1.099 32.957 31.823 0.058 0.000 0.991 60 V HN 0.372 nan 8.190 nan 0.000 0.437 61 G N 2.472 111.287 108.800 0.026 0.000 2.535 61 G HA2 0.404 4.363 3.960 -0.001 0.000 0.303 61 G HA3 0.404 4.363 3.960 -0.001 0.000 0.303 61 G C 0.510 175.418 174.900 0.013 0.000 1.237 61 G CA -0.305 44.808 45.100 0.021 0.000 0.986 61 G HN 0.681 nan 8.290 nan 0.000 0.494 62 E N -0.409 119.796 120.200 0.009 0.000 2.070 62 E HA -0.174 4.175 4.350 -0.001 0.000 0.197 62 E C 2.359 178.949 176.600 -0.016 0.000 1.004 62 E CA 1.023 57.422 56.400 -0.003 0.000 0.805 62 E CB 0.018 29.717 29.700 -0.002 0.000 0.744 62 E HN 0.254 nan 8.360 nan 0.000 0.451 63 K N 0.671 121.064 120.400 -0.012 0.000 2.026 63 K HA -0.156 4.164 4.320 -0.001 0.000 0.208 63 K C 2.253 178.839 176.600 -0.023 0.000 1.048 63 K CA 0.682 56.958 56.287 -0.019 0.000 0.929 63 K CB -0.600 31.892 32.500 -0.013 0.000 0.713 63 K HN 0.092 nan 8.250 nan 0.000 0.439 64 L N 1.448 122.663 121.223 -0.013 0.000 2.083 64 L HA -0.127 4.212 4.340 -0.001 0.000 0.209 64 L C 2.281 179.139 176.870 -0.019 0.000 1.083 64 L CA 1.200 56.033 54.840 -0.012 0.000 0.752 64 L CB -0.379 41.681 42.059 0.002 0.000 0.899 64 L HN 0.150 nan 8.230 nan 0.000 0.433 65 L N -1.051 120.160 121.223 -0.020 0.000 1.994 65 L HA -0.260 4.080 4.340 -0.001 0.000 0.208 65 L C 2.481 179.274 176.870 -0.128 0.000 1.071 65 L CA 1.857 56.670 54.840 -0.044 0.000 0.745 65 L CB -0.247 41.796 42.059 -0.028 0.000 0.892 65 L HN 0.285 nan 8.230 nan 0.000 0.431 66 I N -0.015 120.491 120.570 -0.106 0.000 2.264 66 I HA -0.370 3.800 4.170 -0.001 0.000 0.248 66 I C 2.628 178.679 176.117 -0.110 0.000 1.111 66 I CA 1.400 62.627 61.300 -0.123 0.000 1.382 66 I CB -0.311 37.642 38.000 -0.079 0.000 1.060 66 I HN 0.308 nan 8.210 nan 0.000 0.418 67 K N 1.350 121.705 120.400 -0.075 0.000 2.057 67 K HA -0.192 4.127 4.320 -0.001 0.000 0.207 67 K C 2.207 178.769 176.600 -0.062 0.000 1.049 67 K CA 1.536 57.789 56.287 -0.057 0.000 0.931 67 K CB -0.112 32.365 32.500 -0.038 0.000 0.714 67 K HN 0.284 nan 8.250 nan 0.000 0.440 68 A N 0.625 123.406 122.820 -0.065 0.000 1.902 68 A HA -0.090 4.229 4.320 -0.001 0.000 0.217 68 A C 2.221 179.748 177.584 -0.095 0.000 1.181 68 A CA 1.582 53.596 52.037 -0.038 0.000 0.623 68 A CB -0.573 18.443 19.000 0.028 0.000 0.818 68 A HN 0.180 nan 8.150 nan 0.000 0.443 69 V N 0.138 119.897 119.914 -0.258 0.000 2.358 69 V HA -0.066 4.053 4.120 -0.001 0.000 0.246 69 V C 2.019 178.021 176.094 -0.154 0.000 1.047 69 V CA 0.906 62.995 62.300 -0.351 0.000 1.035 69 V CB -1.574 29.939 31.823 -0.516 0.000 0.658 69 V HN 0.652 nan 8.190 nan 0.000 0.452 73 T N -3.799 110.766 114.554 0.019 0.000 3.014 73 T HA 0.445 4.794 4.350 -0.001 0.000 0.250 73 T C 1.788 176.496 174.700 0.013 0.000 1.060 73 T CA 1.515 63.626 62.100 0.018 0.000 1.040 73 T CB 0.601 69.468 68.868 -0.001 0.000 0.971 73 T HN 2.132 nan 8.240 nan 0.000 0.497 74 G N 1.567 110.370 108.800 0.005 0.000 2.176 74 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.253 74 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.253 74 G C -0.080 174.818 174.900 -0.003 0.000 0.979 74 G CA 0.034 45.137 45.100 0.004 0.000 0.641 74 G HN 0.546 nan 8.290 nan 0.000 0.530 75 I N 2.132 122.695 120.570 -0.011 0.000 2.353 75 I HA 0.305 4.475 4.170 -0.001 0.000 0.293 75 I C 0.222 176.324 176.117 -0.025 0.000 0.992 75 I CA -1.534 59.756 61.300 -0.017 0.000 1.268 75 I CB 0.844 38.831 38.000 -0.022 0.000 1.387 75 I HN 0.034 nan 8.210 nan 0.000 0.478 76 D N 4.959 125.347 120.400 -0.021 0.000 2.472 76 D HA 0.030 4.669 4.640 -0.001 0.000 0.237 76 D C 1.068 177.349 176.300 -0.031 0.000 1.141 76 D CA 0.106 54.092 54.000 -0.023 0.000 0.875 76 D CB 1.141 41.930 40.800 -0.018 0.000 1.192 76 D HN 0.649 nan 8.370 nan 0.000 0.450 77 A N 3.471 126.271 122.820 -0.033 0.000 1.908 77 A HA -0.248 4.071 4.320 -0.001 0.000 0.218 77 A C 2.014 179.579 177.584 -0.033 0.000 1.181 77 A CA 1.601 53.614 52.037 -0.040 0.000 0.627 77 A CB -0.355 18.623 19.000 -0.037 0.000 0.818 77 A HN 0.616 nan 8.150 nan 0.000 0.445 78 K N -0.428 119.956 120.400 -0.026 0.000 2.063 78 K HA -0.222 4.097 4.320 -0.001 0.000 0.208 78 K C 2.114 178.701 176.600 -0.022 0.000 1.048 78 K CA 1.742 58.017 56.287 -0.021 0.000 0.928 78 K CB -0.156 32.334 32.500 -0.017 0.000 0.713 78 K HN 0.676 nan 8.250 nan 0.000 0.442 79 E N 0.581 120.767 120.200 -0.022 0.000 2.077 79 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 79 E C 1.948 178.533 176.600 -0.026 0.000 0.989 79 E CA 1.246 57.633 56.400 -0.021 0.000 0.800 79 E CB -0.054 29.634 29.700 -0.019 0.000 0.746 79 E HN 0.337 nan 8.360 nan 0.000 0.452 80 I N 1.200 121.749 120.570 -0.034 0.000 2.226 80 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 80 I C 2.423 178.518 176.117 -0.036 0.000 1.100 80 I CA 1.019 62.293 61.300 -0.043 0.000 1.374 80 I CB -0.309 37.654 38.000 -0.063 0.000 1.057 80 I HN 0.160 nan 8.210 nan 0.000 0.413 81 E N 0.707 120.887 120.200 -0.032 0.000 2.051 81 E HA -0.216 4.134 4.350 -0.001 0.000 0.192 81 E C 2.068 178.656 176.600 -0.020 0.000 0.991 81 E CA 1.099 57.484 56.400 -0.025 0.000 0.799 81 E CB -0.268 29.419 29.700 -0.022 0.000 0.748 81 E HN 0.450 nan 8.360 nan 0.000 0.449 82 E N 0.675 120.864 120.200 -0.018 0.000 2.153 82 E HA -0.119 4.230 4.350 -0.001 0.000 0.194 82 E C 2.075 178.666 176.600 -0.014 0.000 0.988 82 E CA 0.595 56.987 56.400 -0.015 0.000 0.811 82 E CB -0.320 29.372 29.700 -0.013 0.000 0.746 82 E HN 0.078 nan 8.360 nan 0.000 0.466 83 S N 0.240 115.930 115.700 -0.018 0.000 2.382 83 S HA -0.106 4.363 4.470 -0.001 0.000 0.228 83 S C 2.102 176.692 174.600 -0.017 0.000 1.027 83 S CA 1.023 59.212 58.200 -0.018 0.000 0.991 83 S CB -0.042 63.145 63.200 -0.022 0.000 0.823 83 S HN 0.066 nan 8.310 nan 0.000 0.469 84 V N 1.781 121.684 119.914 -0.018 0.000 2.594 84 V HA -0.129 3.991 4.120 -0.001 0.000 0.253 84 V C 2.356 178.444 176.094 -0.009 0.000 1.069 84 V CA 1.786 64.077 62.300 -0.015 0.000 1.082 84 V CB -0.626 31.188 31.823 -0.016 0.000 0.680 84 V HN 0.481 nan 8.190 nan 0.000 0.469 85 K N -0.220 120.175 120.400 -0.009 0.000 2.211 85 K HA -0.130 4.190 4.320 -0.001 0.000 0.203 85 K C 1.606 178.204 176.600 -0.005 0.000 1.050 85 K CA 1.388 57.672 56.287 -0.005 0.000 0.945 85 K CB -0.106 32.390 32.500 -0.006 0.000 0.732 85 K HN 0.488 nan 8.250 nan 0.000 0.451 86 D N -0.765 119.631 120.400 -0.006 0.000 2.338 86 D HA -0.050 4.590 4.640 -0.001 0.000 0.208 86 D C 1.692 177.989 176.300 -0.006 0.000 0.997 86 D CA 0.951 54.948 54.000 -0.006 0.000 0.880 86 D CB 0.323 41.119 40.800 -0.007 0.000 0.980 86 D HN 0.018 nan 8.370 nan 0.000 0.509 87 T N -1.142 113.407 114.554 -0.008 0.000 3.031 87 T HA 0.200 4.550 4.350 -0.001 0.000 0.254 87 T C 1.462 176.158 174.700 -0.006 0.000 1.060 87 T CA 1.410 63.505 62.100 -0.009 0.000 1.135 87 T CB 0.005 68.865 68.868 -0.014 0.000 0.896 87 T HN 0.280 nan 8.240 nan 0.000 0.472 88 G N 1.279 110.076 108.800 -0.004 0.000 2.162 88 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.260 88 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.260 88 G C -0.035 174.865 174.900 -0.001 0.000 0.976 88 G CA 0.576 45.676 45.100 0.000 0.000 0.655 88 G HN 0.690 nan 8.290 nan 0.000 0.533 89 D N -1.459 118.937 120.400 -0.008 0.000 2.890 89 D HA 0.480 5.120 4.640 -0.001 0.000 0.233 89 D C 1.020 177.308 176.300 -0.020 0.000 1.306 89 D CA -0.695 53.299 54.000 -0.011 0.000 0.929 89 D CB 0.792 41.583 40.800 -0.016 0.000 1.512 89 D HN 0.050 nan 8.370 nan 0.000 0.568 90 L N 4.106 125.318 121.223 -0.019 0.000 2.046 90 L HA 0.178 4.517 4.340 -0.001 0.000 0.208 90 L C 2.033 178.881 176.870 -0.038 0.000 1.077 90 L CA 2.613 57.436 54.840 -0.029 0.000 0.747 90 L CB -0.823 41.222 42.059 -0.024 0.000 0.896 90 L HN 0.681 nan 8.230 nan 0.000 0.432 91 G N -1.039 107.740 108.800 -0.035 0.000 2.446 91 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.217 91 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.217 91 G C 1.436 176.297 174.900 -0.065 0.000 1.168 91 G CA 0.716 45.787 45.100 -0.050 0.000 0.771 91 G HN 0.429 nan 8.290 nan 0.000 0.551 92 E N 0.833 120.995 120.200 -0.062 0.000 2.110 92 E HA -0.059 4.290 4.350 -0.001 0.000 0.193 92 E C 2.897 179.473 176.600 -0.040 0.000 0.988 92 E CA 0.992 57.359 56.400 -0.055 0.000 0.804 92 E CB -0.356 29.319 29.700 -0.042 0.000 0.745 92 E HN 0.362 nan 8.360 nan 0.000 0.458 93 S N 0.690 116.367 115.700 -0.038 0.000 2.406 93 S HA 0.003 4.473 4.470 -0.001 0.000 0.228 93 S C 2.081 176.654 174.600 -0.046 0.000 1.020 93 S CA 0.391 58.569 58.200 -0.037 0.000 0.965 93 S CB -0.044 63.134 63.200 -0.037 0.000 0.798 93 S HN 0.202 nan 8.310 nan 0.000 0.488 94 I N 1.556 122.091 120.570 -0.058 0.000 2.315 94 I HA -0.164 4.006 4.170 -0.001 0.000 0.248 94 I C 2.637 178.738 176.117 -0.028 0.000 1.117 94 I CA 0.908 62.160 61.300 -0.081 0.000 1.404 94 I CB -0.410 37.518 38.000 -0.119 0.000 1.071 94 I HN 0.260 nan 8.210 nan 0.000 0.419 95 A N 0.988 123.802 122.820 -0.009 0.000 1.933 95 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 95 A C 2.284 179.875 177.584 0.011 0.000 1.175 95 A CA 1.367 53.412 52.037 0.013 0.000 0.628 95 A CB -0.749 18.241 19.000 -0.017 0.000 0.814 95 A HN 0.373 nan 8.150 nan 0.000 0.444 96 L N -0.952 120.268 121.223 -0.006 0.000 2.056 96 L HA -0.186 4.153 4.340 -0.001 0.000 0.207 96 L C 3.140 180.009 176.870 -0.001 0.000 1.078 96 L CA 1.038 55.877 54.840 -0.003 0.000 0.749 96 L CB -0.651 41.402 42.059 -0.010 0.000 0.901 96 L HN 0.451 nan 8.230 nan 0.000 0.433 97 A N -0.175 122.636 122.820 -0.014 0.000 1.883 97 A HA -0.172 4.148 4.320 -0.001 0.000 0.217 97 A C 2.314 179.901 177.584 0.005 0.000 1.186 97 A CA 1.930 53.957 52.037 -0.017 0.000 0.624 97 A CB -0.904 18.067 19.000 -0.048 0.000 0.822 97 A HN 0.198 nan 8.150 nan 0.000 0.444 98 V N 0.220 120.148 119.914 0.022 0.000 2.490 98 V HA -0.221 3.899 4.120 -0.001 0.000 0.250 98 V C 3.169 179.291 176.094 0.047 0.000 1.061 98 V CA 2.576 64.909 62.300 0.056 0.000 1.064 98 V CB -1.152 30.736 31.823 0.107 0.000 0.670 98 V HN 0.768 nan 8.190 nan 0.000 0.461 99 K N 0.549 120.971 120.400 0.038 0.000 2.097 99 K HA -0.165 4.155 4.320 -0.001 0.000 0.205 99 K C 2.173 178.796 176.600 0.038 0.000 1.050 99 K CA 1.862 58.171 56.287 0.037 0.000 0.938 99 K CB -0.538 31.980 32.500 0.030 0.000 0.718 99 K HN 0.572 nan 8.250 nan 0.000 0.442 100 K N 0.306 120.723 120.400 0.028 0.000 2.217 100 K HA -0.100 4.219 4.320 -0.001 0.000 0.202 100 K C 2.282 178.902 176.600 0.033 0.000 1.051 100 K CA 0.995 57.298 56.287 0.026 0.000 0.952 100 K CB 0.070 32.577 32.500 0.013 0.000 0.736 100 K HN 0.216 nan 8.250 nan 0.000 0.453 101 K N 1.397 121.818 120.400 0.035 0.000 2.211 101 K HA -0.159 4.160 4.320 -0.001 0.000 0.204 101 K C 1.353 177.987 176.600 0.057 0.000 1.047 101 K CA 1.155 57.466 56.287 0.041 0.000 0.935 101 K CB 0.091 32.617 32.500 0.044 0.000 0.728 101 K HN 0.089 nan 8.250 nan 0.000 0.452 102 K N 0.323 120.766 120.400 0.071 0.000 2.160 102 K HA -0.214 4.105 4.320 -0.001 0.000 0.206 102 K C 2.449 179.136 176.600 0.145 0.000 1.047 102 K CA 1.936 58.304 56.287 0.135 0.000 0.930 102 K CB -0.790 31.822 32.500 0.187 0.000 0.720 102 K HN 0.481 nan 8.250 nan 0.000 0.450 103 Q N 1.159 121.004 119.800 0.075 0.000 2.124 103 Q HA -0.145 4.194 4.340 -0.001 0.000 0.202 103 Q C 2.248 178.271 176.000 0.037 0.000 0.977 103 Q CA 2.572 58.397 55.803 0.037 0.000 0.850 103 Q CB -0.857 27.892 28.738 0.019 0.000 0.901 103 Q HN 0.607 nan 8.270 nan 0.000 0.429 104 K N -0.835 119.595 120.400 0.049 0.000 2.348 104 K HA 0.444 4.763 4.320 -0.001 0.000 0.194 104 K C 1.107 177.748 176.600 0.068 0.000 1.052 104 K CA 0.897 57.213 56.287 0.047 0.000 1.004 104 K CB 0.734 33.256 32.500 0.036 0.000 0.873 104 K HN 0.561 nan 8.250 nan 0.000 0.523 105 S N -0.224 115.526 115.700 0.084 0.000 2.386 105 S HA 0.339 4.809 4.470 -0.001 0.000 0.152 105 S C 0.115 174.774 174.600 0.098 0.000 1.511 105 S CA -0.642 57.617 58.200 0.098 0.000 1.246 105 S CB -0.646 62.600 63.200 0.076 0.000 1.338 105 S HN 0.337 nan 8.310 nan 0.000 0.409 106 F N 3.668 123.576 119.950 -0.071 0.000 2.134 106 F HA 0.292 4.818 4.527 -0.001 0.000 0.299 106 F C 0.029 175.687 175.800 -0.237 0.000 1.097 106 F CA 1.081 58.955 58.000 -0.212 0.000 1.264 106 F CB 0.090 38.849 39.000 -0.402 0.000 1.001 106 F HN 0.523 nan 8.300 nan 0.000 0.479 107 F N 0.383 120.235 119.950 -0.163 0.000 2.408 107 F HA 0.354 4.880 4.527 -0.001 0.000 0.344 107 F C 0.640 176.358 175.800 -0.136 0.000 1.112 107 F CA -0.669 57.182 58.000 -0.249 0.000 1.096 107 F CB 1.053 40.011 39.000 -0.070 0.000 1.129 107 F HN -0.394 nan 8.300 nan 0.000 0.486 108 S N 1.878 117.614 115.700 0.059 0.000 2.608 108 S HA 0.368 4.837 4.470 -0.001 0.000 0.291 108 S C -0.598 174.034 174.600 0.053 0.000 1.146 108 S CA -0.903 57.321 58.200 0.041 0.000 1.043 108 S CB 1.248 64.452 63.200 0.007 0.000 1.037 108 S HN 0.369 nan 8.310 nan 0.000 0.520 109 Q N 2.213 122.036 119.800 0.040 0.000 2.390 109 Q HA 0.333 4.672 4.340 -0.001 0.000 0.249 109 Q C -2.543 173.475 176.000 0.031 0.000 0.996 109 Q CA -2.592 53.228 55.803 0.028 0.000 0.899 109 Q CB 0.429 29.181 28.738 0.023 0.000 1.216 109 Q HN 0.307 nan 8.270 nan 0.000 0.465 110 P HA -0.105 nan 4.420 nan 0.000 0.257 110 P C -0.203 177.132 177.300 0.058 0.000 1.162 110 P CA 0.349 63.479 63.100 0.049 0.000 0.762 110 P CB 0.364 32.093 31.700 0.049 0.000 0.753 111 L N 3.189 124.454 121.223 0.071 0.000 2.453 111 L HA 0.132 4.472 4.340 -0.001 0.000 0.272 111 L C 1.264 178.211 176.870 0.128 0.000 1.182 111 L CA 0.275 55.156 54.840 0.067 0.000 0.858 111 L CB 0.040 42.124 42.059 0.043 0.000 1.120 111 L HN 0.426 nan 8.230 nan 0.000 0.474 112 T N -0.605 114.015 114.554 0.110 0.000 2.943 112 T HA 0.428 4.777 4.350 -0.001 0.000 0.284 112 T C 1.317 176.153 174.700 0.227 0.000 1.015 112 T CA -0.870 61.333 62.100 0.172 0.000 1.042 112 T CB 1.629 70.587 68.868 0.150 0.000 1.055 112 T HN 0.404 nan 8.240 nan 0.000 0.500 113 I N 0.644 121.424 120.570 0.349 0.000 2.226 113 I HA -0.140 4.030 4.170 -0.001 0.000 0.245 113 I C 2.766 179.051 176.117 0.280 0.000 1.100 113 I CA 1.461 63.021 61.300 0.433 0.000 1.374 113 I CB -0.354 37.990 38.000 0.574 0.000 1.057 113 I HN 0.817 nan 8.210 nan 0.000 0.413 114 K N 1.379 121.925 120.400 0.243 0.000 2.032 114 K HA -0.263 4.057 4.320 -0.001 0.000 0.209 114 K C 2.376 178.981 176.600 0.009 0.000 1.048 114 K CA 1.719 58.041 56.287 0.057 0.000 0.927 114 K CB -0.165 32.391 32.500 0.094 0.000 0.712 114 K HN 0.123 nan 8.250 nan 0.000 0.441 115 R N 0.188 120.701 120.500 0.021 0.000 2.096 115 R HA -0.096 4.243 4.340 -0.001 0.000 0.235 115 R C 2.016 178.249 176.300 -0.112 0.000 1.127 115 R CA 1.442 57.515 56.100 -0.045 0.000 0.968 115 R CB -0.128 30.154 30.300 -0.030 0.000 0.861 115 R HN 0.105 nan 8.270 nan 0.000 0.440 116 V N 0.337 120.181 119.914 -0.117 0.000 2.307 116 V HA -0.251 3.869 4.120 -0.001 0.000 0.245 116 V C 2.004 177.982 176.094 -0.194 0.000 1.045 116 V CA 1.889 64.054 62.300 -0.225 0.000 1.024 116 V CB -0.744 30.855 31.823 -0.372 0.000 0.651 116 V HN 0.392 nan 8.190 nan 0.000 0.449 117 Y N 1.110 121.245 120.300 -0.275 0.000 2.114 117 Y HA -0.270 4.279 4.550 -0.001 0.000 0.284 117 Y C 2.691 178.361 175.900 -0.383 0.000 1.143 117 Y CA 1.988 59.829 58.100 -0.430 0.000 1.135 117 Y CB -0.403 37.527 38.460 -0.883 0.000 0.980 117 Y HN 0.297 nan 8.280 nan 0.000 0.499 118 Q N -1.014 118.570 119.800 -0.360 0.000 2.181 118 Q HA -0.184 4.156 4.340 -0.001 0.000 0.205 118 Q C 2.097 177.882 176.000 -0.357 0.000 0.980 118 Q CA 2.057 57.647 55.803 -0.355 0.000 0.862 118 Q CB -0.315 28.314 28.738 -0.182 0.000 0.905 118 Q HN 0.454 nan 8.270 nan 0.000 0.429 119 T N 1.419 115.791 114.554 -0.304 0.000 2.737 119 T HA -0.069 4.280 4.350 -0.001 0.000 0.265 119 T C 1.899 176.438 174.700 -0.269 0.000 1.038 119 T CA 0.799 62.733 62.100 -0.277 0.000 1.144 119 T CB -0.166 68.581 68.868 -0.202 0.000 0.866 119 T HN 0.179 nan 8.240 nan 0.000 0.434 120 L N 0.813 121.854 121.223 -0.304 0.000 2.083 120 L HA -0.091 4.249 4.340 -0.001 0.000 0.209 120 L C 2.654 179.368 176.870 -0.260 0.000 1.083 120 L CA 0.896 55.575 54.840 -0.269 0.000 0.752 120 L CB -0.795 41.069 42.059 -0.326 0.000 0.899 120 L HN 0.149 nan 8.230 nan 0.000 0.433 121 V N -0.249 119.416 119.914 -0.415 0.000 2.343 121 V HA -0.246 3.874 4.120 -0.001 0.000 0.247 121 V C 2.588 178.616 176.094 -0.110 0.000 1.051 121 V CA 1.518 63.694 62.300 -0.207 0.000 1.036 121 V CB -0.519 31.072 31.823 -0.387 0.000 0.654 121 V HN 0.393 nan 8.190 nan 0.000 0.451 122 K N -0.008 120.260 120.400 -0.219 0.000 2.097 122 K HA -0.080 4.239 4.320 -0.001 0.000 0.206 122 K C 2.111 178.652 176.600 -0.098 0.000 1.049 122 K CA 1.040 57.185 56.287 -0.236 0.000 0.933 122 K CB -0.995 31.200 32.500 -0.509 0.000 0.717 122 K HN 0.399 nan 8.250 nan 0.000 0.442 123 V N 1.738 121.630 119.914 -0.037 0.000 2.295 123 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 123 V C 2.470 178.622 176.094 0.097 0.000 1.049 123 V CA 2.059 64.434 62.300 0.124 0.000 1.024 123 V CB -0.837 31.046 31.823 0.099 0.000 0.648 123 V HN 0.314 nan 8.190 nan 0.000 0.447 124 A N -0.468 122.405 122.820 0.089 0.000 1.933 124 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 124 A C 2.044 179.647 177.584 0.031 0.000 1.175 124 A CA 1.810 53.910 52.037 0.106 0.000 0.628 124 A CB -0.434 18.727 19.000 0.267 0.000 0.814 124 A HN 0.672 nan 8.150 nan 0.000 0.444 125 E N -0.369 119.839 120.200 0.014 0.000 2.502 125 E HA 0.007 4.357 4.350 -0.001 0.000 0.194 125 E C -0.302 176.309 176.600 0.019 0.000 1.062 125 E CA 0.245 56.636 56.400 -0.015 0.000 0.867 125 E CB -0.002 29.675 29.700 -0.038 0.000 0.888 125 E HN 0.374 nan 8.360 nan 0.000 0.510 126 T N 0.924 115.516 114.554 0.063 0.000 2.875 126 T HA 0.279 4.629 4.350 -0.001 0.000 0.307 126 T C 0.664 175.395 174.700 0.053 0.000 1.013 126 T CA 0.446 62.602 62.100 0.094 0.000 0.970 126 T CB 0.869 69.856 68.868 0.198 0.000 0.986 126 T HN 0.235 nan 8.240 nan 0.000 0.536 127 T N 0.609 115.180 114.554 0.029 0.000 3.087 127 T HA 0.535 4.884 4.350 -0.001 0.000 0.283 127 T C 1.471 176.176 174.700 0.009 0.000 0.956 127 T CA 0.165 62.274 62.100 0.015 0.000 0.894 127 T CB 0.113 68.983 68.868 0.003 0.000 1.160 127 T HN 0.554 nan 8.240 nan 0.000 0.532 128 G N 1.282 110.089 108.800 0.012 0.000 2.226 128 G HA2 0.271 4.230 3.960 -0.001 0.000 0.166 128 G HA3 0.271 4.230 3.960 -0.001 0.000 0.166 128 G C 1.245 176.146 174.900 0.003 0.000 1.629 128 G CA 1.659 46.764 45.100 0.007 0.000 1.008 128 G HN 0.645 nan 8.290 nan 0.000 0.410 129 E N -0.703 119.498 120.200 0.001 0.000 2.002 129 E HA 0.190 4.540 4.350 -0.001 0.000 0.196 129 E C 2.220 178.815 176.600 -0.008 0.000 0.974 129 E CA 0.986 57.383 56.400 -0.003 0.000 0.853 129 E CB -1.306 28.391 29.700 -0.004 0.000 0.808 129 E HN 1.054 nan 8.360 nan 0.000 0.492 130 G N 0.822 109.613 108.800 -0.014 0.000 3.581 130 G HA2 0.290 4.249 3.960 -0.001 0.000 0.255 130 G HA3 0.290 4.249 3.960 -0.001 0.000 0.255 130 G C 1.249 176.131 174.900 -0.030 0.000 1.121 130 G CA 0.964 46.051 45.100 -0.022 0.000 1.739 130 G HN 0.579 nan 8.290 nan 0.000 0.646 131 S N 0.257 115.947 115.700 -0.016 0.000 2.374 131 S HA -0.255 4.215 4.470 -0.001 0.000 0.227 131 S C 2.102 176.687 174.600 -0.024 0.000 1.037 131 S CA 1.202 59.396 58.200 -0.010 0.000 1.024 131 S CB -0.223 62.982 63.200 0.008 0.000 0.861 131 S HN 0.369 nan 8.310 nan 0.000 0.456 132 Q N 1.494 121.281 119.800 -0.021 0.000 2.077 132 Q HA -0.141 4.199 4.340 -0.001 0.000 0.206 132 Q C 1.944 177.915 176.000 -0.049 0.000 0.989 132 Q CA 1.829 57.618 55.803 -0.024 0.000 0.853 132 Q CB -0.822 27.906 28.738 -0.017 0.000 0.907 132 Q HN 0.645 nan 8.270 nan 0.000 0.418 133 D N 0.250 120.612 120.400 -0.063 0.000 2.144 133 D HA -0.112 4.527 4.640 -0.001 0.000 0.200 133 D C 2.057 178.262 176.300 -0.158 0.000 0.978 133 D CA 1.940 55.888 54.000 -0.087 0.000 0.833 133 D CB 0.066 40.821 40.800 -0.074 0.000 0.961 133 D HN 0.353 nan 8.370 nan 0.000 0.470 134 K N 1.734 122.014 120.400 -0.200 0.000 2.057 134 K HA -0.144 4.175 4.320 -0.001 0.000 0.206 134 K C 2.049 178.329 176.600 -0.534 0.000 1.050 134 K CA 1.267 57.298 56.287 -0.426 0.000 0.935 134 K CB -0.723 31.588 32.500 -0.315 0.000 0.715 134 K HN 0.168 nan 8.250 nan 0.000 0.439 135 K N 0.229 120.515 120.400 -0.190 0.000 2.057 135 K HA -0.060 4.259 4.320 -0.001 0.000 0.207 135 K C 2.209 178.793 176.600 -0.027 0.000 1.049 135 K CA 1.290 57.564 56.287 -0.021 0.000 0.931 135 K CB -0.434 32.090 32.500 0.039 0.000 0.714 135 K HN 0.154 nan 8.250 nan 0.000 0.440 136 V N 2.068 121.946 119.914 -0.060 0.000 2.332 136 V HA -0.286 3.833 4.120 -0.001 0.000 0.248 136 V C 2.049 178.124 176.094 -0.032 0.000 1.055 136 V CA 1.804 64.088 62.300 -0.028 0.000 1.038 136 V CB -0.412 31.387 31.823 -0.040 0.000 0.651 136 V HN 0.315 nan 8.190 nan 0.000 0.450 137 K N -1.012 119.311 120.400 -0.128 0.000 2.057 137 K HA -0.159 4.160 4.320 -0.001 0.000 0.207 137 K C 2.136 178.728 176.600 -0.013 0.000 1.049 137 K CA 1.885 58.102 56.287 -0.117 0.000 0.931 137 K CB -0.391 31.973 32.500 -0.227 0.000 0.714 137 K HN 0.536 nan 8.250 nan 0.000 0.440 138 Y N 1.135 121.443 120.300 0.014 0.000 2.181 138 Y HA -0.204 4.346 4.550 -0.001 0.000 0.288 138 Y C 2.247 178.154 175.900 0.011 0.000 1.146 138 Y CA 0.447 58.546 58.100 -0.001 0.000 1.164 138 Y CB -0.155 38.294 38.460 -0.017 0.000 0.982 138 Y HN -0.027 nan 8.280 nan 0.000 0.515 139 L N -0.685 120.661 121.223 0.205 0.000 2.056 139 L HA -0.196 4.143 4.340 -0.001 0.000 0.207 139 L C 2.775 179.811 176.870 0.276 0.000 1.078 139 L CA 0.836 55.803 54.840 0.213 0.000 0.749 139 L CB -0.772 41.440 42.059 0.255 0.000 0.901 139 L HN 0.212 nan 8.230 nan 0.000 0.433 140 A N 0.055 122.991 122.820 0.194 0.000 1.902 140 A HA -0.244 4.076 4.320 -0.001 0.000 0.217 140 A C 1.909 179.584 177.584 0.151 0.000 1.181 140 A CA 1.985 54.127 52.037 0.174 0.000 0.623 140 A CB -0.545 18.504 19.000 0.082 0.000 0.818 140 A HN 0.353 nan 8.150 nan 0.000 0.443 141 D N -0.520 119.948 120.400 0.114 0.000 2.158 141 D HA -0.146 4.494 4.640 -0.001 0.000 0.197 141 D C 1.783 178.111 176.300 0.046 0.000 0.995 141 D CA 1.213 55.262 54.000 0.082 0.000 0.846 141 D CB -0.307 40.549 40.800 0.093 0.000 0.941 141 D HN 0.343 nan 8.370 nan 0.000 0.456 142 L N -0.464 120.768 121.223 0.015 0.000 2.044 142 L HA 0.037 4.376 4.340 -0.001 0.000 0.205 142 L C 0.810 177.599 176.870 -0.136 0.000 1.075 142 L CA 0.967 55.737 54.840 -0.117 0.000 0.747 142 L CB -0.383 41.525 42.059 -0.251 0.000 0.903 142 L HN -0.145 nan 8.230 nan 0.000 0.435 146 A N 0.811 123.658 122.820 0.045 0.000 2.340 146 A HA 0.484 4.803 4.320 -0.001 0.000 0.268 146 A C 0.587 178.225 177.584 0.090 0.000 1.100 146 A CA -0.066 52.010 52.037 0.065 0.000 0.803 146 A CB 1.125 20.161 19.000 0.059 0.000 1.043 146 A HN -0.151 nan 8.150 nan 0.000 0.488 147 E N 1.518 121.780 120.200 0.103 0.000 2.318 147 E HA 0.241 4.591 4.350 -0.001 0.000 0.265 147 E C -1.743 174.923 176.600 0.110 0.000 1.069 147 E CA -2.059 54.392 56.400 0.084 0.000 0.893 147 E CB 0.295 30.043 29.700 0.081 0.000 1.076 147 E HN 0.305 nan 8.360 nan 0.000 0.414 148 P HA -0.194 nan 4.420 nan 0.000 0.216 148 P C 1.538 178.884 177.300 0.077 0.000 1.157 148 P CA 0.946 64.092 63.100 0.076 0.000 0.880 148 P CB 0.164 31.893 31.700 0.048 0.000 0.791 149 L N 0.040 121.314 121.223 0.086 0.000 2.042 149 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 149 L C 2.077 179.064 176.870 0.196 0.000 1.076 149 L CA 1.934 56.834 54.840 0.101 0.000 0.749 149 L CB -1.221 40.930 42.059 0.153 0.000 0.893 149 L HN -0.029 nan 8.230 nan 0.000 0.432 150 E N -0.526 119.828 120.200 0.257 0.000 2.077 150 E HA -0.226 4.123 4.350 -0.001 0.000 0.193 150 E C 2.187 179.017 176.600 0.385 0.000 0.989 150 E CA 1.131 57.785 56.400 0.425 0.000 0.800 150 E CB -0.389 29.568 29.700 0.429 0.000 0.746 150 E HN 0.647 nan 8.360 nan 0.000 0.452 151 A N 1.889 124.865 122.820 0.259 0.000 1.940 151 A HA -0.268 4.052 4.320 -0.001 0.000 0.219 151 A C 2.089 179.856 177.584 0.305 0.000 1.176 151 A CA 1.820 54.070 52.037 0.354 0.000 0.631 151 A CB -0.451 18.778 19.000 0.382 0.000 0.814 151 A HN 0.108 nan 8.150 nan 0.000 0.446 152 K N -1.413 119.033 120.400 0.077 0.000 2.026 152 K HA -0.182 4.137 4.320 -0.001 0.000 0.208 152 K C 1.791 178.321 176.600 -0.117 0.000 1.048 152 K CA 1.897 58.114 56.287 -0.117 0.000 0.929 152 K CB -0.361 31.912 32.500 -0.379 0.000 0.713 152 K HN 0.611 nan 8.250 nan 0.000 0.439 153 Y N 0.194 120.602 120.300 0.180 0.000 2.314 153 Y HA -0.139 4.411 4.550 -0.001 0.000 0.293 153 Y C 2.103 178.115 175.900 0.186 0.000 1.129 153 Y CA 0.208 58.388 58.100 0.133 0.000 1.201 153 Y CB -0.020 38.568 38.460 0.213 0.000 0.999 153 Y HN 0.087 nan 8.280 nan 0.000 0.541 154 L N 0.353 121.804 121.223 0.380 0.000 2.046 154 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 154 L C 2.438 179.445 176.870 0.229 0.000 1.077 154 L CA 1.880 56.826 54.840 0.176 0.000 0.747 154 L CB -0.973 40.963 42.059 -0.205 0.000 0.896 154 L HN 0.161 nan 8.230 nan 0.000 0.432 155 A N -0.370 122.658 122.820 0.346 0.000 1.865 155 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 155 A C 2.412 180.083 177.584 0.146 0.000 1.191 155 A CA 2.005 54.213 52.037 0.286 0.000 0.623 155 A CB -0.598 18.507 19.000 0.175 0.000 0.826 155 A HN 0.487 nan 8.150 nan 0.000 0.444 156 R N -1.069 119.495 120.500 0.106 0.000 2.120 156 R HA -0.076 4.263 4.340 -0.001 0.000 0.234 156 R C 2.241 178.576 176.300 0.058 0.000 1.123 156 R CA 1.680 57.818 56.100 0.063 0.000 0.975 156 R CB -0.664 29.663 30.300 0.045 0.000 0.866 156 R HN 0.545 nan 8.270 nan 0.000 0.446 157 T N 1.251 115.851 114.554 0.076 0.000 2.737 157 T HA -0.075 4.274 4.350 -0.001 0.000 0.265 157 T C 1.870 176.605 174.700 0.057 0.000 1.038 157 T CA 1.124 63.259 62.100 0.059 0.000 1.144 157 T CB -0.109 68.818 68.868 0.099 0.000 0.866 157 T HN 0.130 nan 8.240 nan 0.000 0.434 158 I N 0.706 121.323 120.570 0.078 0.000 2.286 158 I HA -0.102 4.067 4.170 -0.001 0.000 0.248 158 I C 1.960 178.116 176.117 0.066 0.000 1.115 158 I CA 1.205 62.548 61.300 0.073 0.000 1.392 158 I CB -0.247 37.824 38.000 0.118 0.000 1.065 158 I HN 0.195 nan 8.210 nan 0.000 0.418 159 L N 0.088 121.351 121.223 0.065 0.000 2.492 159 L HA 0.145 4.484 4.340 -0.001 0.000 0.223 159 L C 1.544 178.443 176.870 0.049 0.000 1.132 159 L CA 0.580 55.452 54.840 0.053 0.000 0.850 159 L CB -0.509 41.577 42.059 0.046 0.000 0.966 159 L HN 0.496 nan 8.230 nan 0.000 0.454 160 G N 1.029 109.859 108.800 0.049 0.000 2.147 160 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.244 160 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.244 160 G C 0.365 175.291 174.900 0.043 0.000 1.005 160 G CA 0.498 45.627 45.100 0.049 0.000 0.713 160 G HN 0.420 nan 8.290 nan 0.000 0.515 164 T N -2.539 112.005 114.554 -0.016 0.000 2.869 164 T HA 0.293 4.642 4.350 -0.001 0.000 0.295 164 T C 1.242 175.944 174.700 0.005 0.000 0.987 164 T CA -0.176 61.916 62.100 -0.014 0.000 1.109 164 T CB 1.764 70.616 68.868 -0.026 0.000 0.932 164 T HN 0.304 nan 8.240 nan 0.000 0.518 165 G N 2.061 110.865 108.800 0.006 0.000 3.375 165 G HA2 0.368 4.328 3.960 -0.001 0.000 0.247 165 G HA3 0.368 4.328 3.960 -0.001 0.000 0.247 165 G C 0.360 175.265 174.900 0.008 0.000 1.343 165 G CA -0.239 44.873 45.100 0.019 0.000 1.368 165 G HN 1.147 nan 8.290 nan 0.000 0.549 166 V N -1.529 118.383 119.914 -0.004 0.000 2.368 166 V HA 0.832 4.951 4.120 -0.001 0.000 0.266 166 V C 0.243 176.333 176.094 -0.007 0.000 1.045 166 V CA -0.978 61.303 62.300 -0.031 0.000 0.899 166 V CB 0.517 32.300 31.823 -0.067 0.000 1.006 166 V HN 0.335 nan 8.190 nan 0.000 0.470 167 A N 4.197 127.018 122.820 0.002 0.000 2.282 167 A HA 0.653 4.972 4.320 -0.001 0.000 0.324 167 A C 1.121 178.708 177.584 0.005 0.000 1.119 167 A CA -0.122 51.950 52.037 0.059 0.000 0.880 167 A CB 0.951 20.024 19.000 0.122 0.000 1.294 167 A HN 1.035 nan 8.150 nan 0.000 0.493 168 E N 0.018 120.282 120.200 0.106 0.000 2.130 168 E HA -0.174 4.175 4.350 -0.001 0.000 0.196 168 E C 1.517 178.135 176.600 0.030 0.000 0.998 168 E CA 1.546 58.017 56.400 0.119 0.000 0.806 168 E CB -0.582 29.339 29.700 0.368 0.000 0.738 168 E HN 0.694 nan 8.360 nan 0.000 0.459 169 G N 1.937 110.779 108.800 0.070 0.000 2.446 169 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.217 169 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.217 169 G C 1.582 176.446 174.900 -0.060 0.000 1.168 169 G CA 0.907 46.018 45.100 0.019 0.000 0.771 169 G HN 0.292 nan 8.290 nan 0.000 0.551 170 L N -0.384 120.788 121.223 -0.085 0.000 2.093 170 L HA 0.067 4.407 4.340 -0.001 0.000 0.208 170 L C 2.604 179.352 176.870 -0.203 0.000 1.085 170 L CA 0.853 55.621 54.840 -0.120 0.000 0.755 170 L CB -0.155 41.846 42.059 -0.097 0.000 0.904 170 L HN 0.234 nan 8.230 nan 0.000 0.435 171 L N 0.254 121.285 121.223 -0.321 0.000 2.046 171 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 171 L C 2.730 179.288 176.870 -0.519 0.000 1.077 171 L CA 1.815 56.334 54.840 -0.534 0.000 0.747 171 L CB -0.873 40.626 42.059 -0.932 0.000 0.896 171 L HN 0.295 nan 8.230 nan 0.000 0.432 172 R N -0.500 119.758 120.500 -0.403 0.000 2.083 172 R HA -0.189 4.150 4.340 -0.001 0.000 0.237 172 R C 1.797 178.044 176.300 -0.087 0.000 1.137 172 R CA 2.042 58.077 56.100 -0.108 0.000 0.951 172 R CB -0.488 29.856 30.300 0.073 0.000 0.851 172 R HN 0.399 nan 8.270 nan 0.000 0.434 173 D N 0.432 120.771 120.400 -0.102 0.000 2.144 173 D HA -0.120 4.520 4.640 -0.001 0.000 0.199 173 D C 1.754 177.975 176.300 -0.131 0.000 0.984 173 D CA 1.477 55.422 54.000 -0.091 0.000 0.834 173 D CB -0.241 40.508 40.800 -0.085 0.000 0.955 173 D HN 0.433 nan 8.370 nan 0.000 0.465 174 A N 0.632 123.347 122.820 -0.174 0.000 1.898 174 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 174 A C 2.358 179.789 177.584 -0.255 0.000 1.181 174 A CA 0.739 52.650 52.037 -0.210 0.000 0.620 174 A CB -0.607 18.264 19.000 -0.215 0.000 0.819 174 A HN 0.174 nan 8.150 nan 0.000 0.442 175 I N -0.024 120.429 120.570 -0.195 0.000 2.202 175 I HA -0.144 4.025 4.170 -0.001 0.000 0.242 175 I C 1.971 178.026 176.117 -0.103 0.000 1.091 175 I CA 0.429 61.658 61.300 -0.118 0.000 1.368 175 I CB -0.565 37.466 38.000 0.053 0.000 1.058 175 I HN 0.358 nan 8.210 nan 0.000 0.410 179 F N 1.246 121.014 119.950 -0.303 0.000 2.647 179 F HA 0.334 4.860 4.527 -0.001 0.000 0.300 179 F C 0.575 176.314 175.800 -0.102 0.000 1.106 179 F CA 0.053 57.941 58.000 -0.186 0.000 1.313 179 F CB -0.078 38.871 39.000 -0.085 0.000 1.007 179 F HN 0.370 nan 8.300 nan 0.000 0.536 180 H N -0.370 118.731 119.070 0.050 0.000 2.592 180 H HA -0.094 4.462 4.556 -0.001 0.000 0.323 180 H C -0.445 174.915 175.328 0.053 0.000 1.117 180 H CA 0.210 56.277 56.048 0.032 0.000 1.120 180 H CB -1.733 28.044 29.762 0.025 0.000 1.561 180 H HN 0.203 nan 8.280 nan 0.000 0.409 181 V N -3.006 116.968 119.914 0.101 0.000 2.960 181 V HA 0.477 4.596 4.120 -0.001 0.000 0.315 181 V C 0.517 176.647 176.094 0.060 0.000 1.087 181 V CA -1.612 60.743 62.300 0.092 0.000 0.982 181 V CB 2.359 34.244 31.823 0.104 0.000 1.039 181 V HN 0.246 nan 8.190 nan 0.000 0.437 182 K N 1.257 121.690 120.400 0.055 0.000 2.416 182 K HA 0.223 4.542 4.320 -0.001 0.000 0.283 182 K C 0.842 177.470 176.600 0.046 0.000 1.037 182 K CA 0.209 56.522 56.287 0.043 0.000 0.995 182 K CB 1.555 34.079 32.500 0.040 0.000 0.938 182 K HN 0.621 nan 8.250 nan 0.000 0.475 183 V N 3.765 123.700 119.914 0.035 0.000 2.469 183 V HA -0.283 3.836 4.120 -0.001 0.000 0.251 183 V C 1.264 177.391 176.094 0.056 0.000 1.064 183 V CA 2.051 64.374 62.300 0.039 0.000 1.066 183 V CB -0.247 31.587 31.823 0.020 0.000 0.667 183 V HN 0.761 nan 8.190 nan 0.000 0.461 184 E N 0.393 120.621 120.200 0.047 0.000 2.106 184 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 184 E C 2.006 178.644 176.600 0.064 0.000 0.984 184 E CA 1.479 57.910 56.400 0.051 0.000 0.806 184 E CB -0.394 29.328 29.700 0.037 0.000 0.750 184 E HN 0.591 nan 8.360 nan 0.000 0.458 185 L N 0.083 121.343 121.223 0.063 0.000 2.179 185 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 185 L C 2.144 179.071 176.870 0.093 0.000 1.096 185 L CA 0.384 55.265 54.840 0.069 0.000 0.779 185 L CB -0.220 41.874 42.059 0.057 0.000 0.922 185 L HN 0.068 nan 8.230 nan 0.000 0.443 186 V N 0.078 120.056 119.914 0.105 0.000 2.358 186 V HA -0.286 3.833 4.120 -0.001 0.000 0.246 186 V C 2.456 178.664 176.094 0.191 0.000 1.047 186 V CA 1.966 64.355 62.300 0.148 0.000 1.035 186 V CB -0.339 31.569 31.823 0.142 0.000 0.658 186 V HN 0.478 nan 8.190 nan 0.000 0.452 187 E N 0.336 120.634 120.200 0.164 0.000 2.077 187 E HA -0.276 4.073 4.350 -0.001 0.000 0.193 187 E C 2.443 179.141 176.600 0.164 0.000 0.989 187 E CA 1.517 58.031 56.400 0.189 0.000 0.800 187 E CB -0.160 29.623 29.700 0.138 0.000 0.746 187 E HN 0.478 nan 8.360 nan 0.000 0.452 188 R N 0.171 120.740 120.500 0.114 0.000 2.083 188 R HA -0.179 4.160 4.340 -0.001 0.000 0.237 188 R C 2.207 178.562 176.300 0.092 0.000 1.137 188 R CA 1.598 57.749 56.100 0.084 0.000 0.951 188 R CB -0.405 29.936 30.300 0.068 0.000 0.851 188 R HN 0.212 nan 8.270 nan 0.000 0.434 189 A N 0.207 123.100 122.820 0.121 0.000 1.933 189 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 189 A C 1.038 178.712 177.584 0.149 0.000 1.175 189 A CA 0.758 52.878 52.037 0.139 0.000 0.628 189 A CB -0.619 18.471 19.000 0.150 0.000 0.814 189 A HN 0.517 nan 8.150 nan 0.000 0.444 193 T N -5.195 109.231 114.554 -0.215 0.000 2.975 193 T HA 0.185 4.534 4.350 -0.001 0.000 0.261 193 T C 0.893 175.345 174.700 -0.413 0.000 0.984 193 T CA 0.673 62.600 62.100 -0.288 0.000 0.911 193 T CB 0.793 69.582 68.868 -0.131 0.000 1.127 193 T HN 0.034 nan 8.240 nan 0.000 0.514 194 S N 1.338 116.701 115.700 -0.563 0.000 3.445 194 S HA -0.140 4.330 4.470 -0.001 0.000 0.319 194 S C -0.316 174.344 174.600 0.100 0.000 1.209 194 S CA 1.139 58.913 58.200 -0.710 0.000 0.934 194 S CB -1.501 61.351 63.200 -0.580 0.000 0.999 194 S HN 0.824 nan 8.310 nan 0.000 0.582 195 D N -0.759 119.796 120.400 0.258 0.000 2.446 195 D HA 0.429 5.069 4.640 -0.001 0.000 0.251 195 D C 0.556 177.229 176.300 0.622 0.000 1.137 195 D CA -0.660 53.724 54.000 0.640 0.000 0.890 195 D CB -0.012 41.120 40.800 0.553 0.000 1.071 195 D HN 0.193 nan 8.370 nan 0.000 0.528 196 F N 1.408 121.751 119.950 0.653 0.000 2.269 196 F HA -0.021 4.505 4.527 -0.001 0.000 0.301 196 F C 2.401 178.316 175.800 0.191 0.000 1.082 196 F CA 0.917 59.054 58.000 0.229 0.000 1.360 196 F CB 0.412 39.305 39.000 -0.178 0.000 1.041 196 F HN 0.478 nan 8.300 nan 0.000 0.512 197 G N -1.005 108.103 108.800 0.513 0.000 2.404 197 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.215 197 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.215 197 G C 1.392 176.473 174.900 0.301 0.000 1.174 197 G CA 0.624 45.933 45.100 0.348 0.000 0.780 197 G HN 0.365 nan 8.290 nan 0.000 0.537 198 Y N 1.380 121.836 120.300 0.259 0.000 2.128 198 Y HA -0.163 4.387 4.550 -0.001 0.000 0.284 198 Y C 2.848 178.832 175.900 0.139 0.000 1.154 198 Y CA 1.684 59.891 58.100 0.178 0.000 1.149 198 Y CB -0.430 38.143 38.460 0.187 0.000 0.976 198 Y HN 0.036 nan 8.280 nan 0.000 0.505 199 V N 0.367 120.398 119.914 0.195 0.000 2.295 199 V HA -0.326 3.794 4.120 -0.001 0.000 0.246 199 V C 2.689 178.805 176.094 0.036 0.000 1.049 199 V CA 1.855 64.215 62.300 0.100 0.000 1.024 199 V CB -1.637 30.358 31.823 0.286 0.000 0.648 199 V HN 0.562 nan 8.190 nan 0.000 0.447 200 A N 0.095 122.979 122.820 0.107 0.000 1.902 200 A HA -0.273 4.046 4.320 -0.001 0.000 0.217 200 A C 2.227 179.692 177.584 -0.199 0.000 1.181 200 A CA 2.330 54.406 52.037 0.064 0.000 0.623 200 A CB -0.508 18.581 19.000 0.147 0.000 0.818 200 A HN 0.487 nan 8.150 nan 0.000 0.443 201 K N -0.004 120.290 120.400 -0.176 0.000 2.032 201 K HA -0.106 4.213 4.320 -0.001 0.000 0.209 201 K C 1.632 178.049 176.600 -0.306 0.000 1.048 201 K CA 1.705 57.842 56.287 -0.250 0.000 0.927 201 K CB -0.379 32.029 32.500 -0.152 0.000 0.712 201 K HN 0.350 nan 8.250 nan 0.000 0.441 202 I N 0.995 121.379 120.570 -0.311 0.000 2.252 202 I HA -0.157 4.012 4.170 -0.001 0.000 0.245 202 I C 2.318 178.304 176.117 -0.219 0.000 1.102 202 I CA 1.492 62.624 61.300 -0.280 0.000 1.385 202 I CB -1.650 36.144 38.000 -0.344 0.000 1.064 202 I HN 0.265 nan 8.210 nan 0.000 0.414 203 A N 0.857 123.558 122.820 -0.199 0.000 1.883 203 A HA -0.275 4.044 4.320 -0.001 0.000 0.217 203 A C 2.494 179.916 177.584 -0.269 0.000 1.186 203 A CA 2.191 54.154 52.037 -0.124 0.000 0.624 203 A CB -0.612 18.418 19.000 0.050 0.000 0.822 203 A HN 0.406 nan 8.150 nan 0.000 0.444 204 K N -0.481 119.498 120.400 -0.701 0.000 2.025 204 K HA -0.016 4.304 4.320 -0.001 0.000 0.207 204 K C 1.893 178.280 176.600 -0.355 0.000 1.049 204 K CA 1.396 57.166 56.287 -0.862 0.000 0.933 204 K CB -0.268 31.416 32.500 -1.360 0.000 0.714 204 K HN 0.485 nan 8.250 nan 0.000 0.438 205 L N -0.014 121.033 121.223 -0.293 0.000 2.131 205 L HA -0.056 4.283 4.340 -0.001 0.000 0.206 205 L C 1.455 178.259 176.870 -0.110 0.000 1.087 205 L CA 1.153 55.891 54.840 -0.169 0.000 0.767 205 L CB -0.045 41.923 42.059 -0.152 0.000 0.917 205 L HN 0.168 nan 8.230 nan 0.000 0.441 206 E N -0.875 119.258 120.200 -0.111 0.000 2.511 206 E HA 0.226 4.576 4.350 -0.001 0.000 0.209 206 E C 0.961 177.537 176.600 -0.040 0.000 0.986 206 E CA 0.372 56.733 56.400 -0.066 0.000 0.974 206 E CB 0.838 30.499 29.700 -0.065 0.000 1.030 206 E HN 0.357 nan 8.360 nan 0.000 0.490 207 G N 1.819 110.595 108.800 -0.040 0.000 2.578 207 G HA2 -0.396 3.563 3.960 -0.001 0.000 0.275 207 G HA3 -0.396 3.563 3.960 -0.001 0.000 0.275 207 G C 0.625 175.533 174.900 0.013 0.000 1.271 207 G CA 0.201 45.305 45.100 0.007 0.000 0.941 207 G HN 0.219 nan 8.290 nan 0.000 0.564 208 N N 0.797 119.515 118.700 0.030 0.000 2.104 208 N HA -0.085 4.654 4.740 -0.001 0.000 0.190 208 N C 2.158 177.680 175.510 0.020 0.000 1.024 208 N CA 1.953 55.020 53.050 0.030 0.000 0.853 208 N CB -0.389 38.119 38.487 0.034 0.000 1.008 208 N HN 0.778 nan 8.380 nan 0.000 0.424 209 E N 0.161 120.369 120.200 0.013 0.000 2.085 209 E HA -0.114 4.235 4.350 -0.001 0.000 0.194 209 E C 2.109 178.713 176.600 0.007 0.000 0.994 209 E CA 1.197 57.603 56.400 0.010 0.000 0.801 209 E CB -0.323 29.380 29.700 0.006 0.000 0.743 209 E HN 0.417 nan 8.360 nan 0.000 0.453 210 G N 1.086 109.882 108.800 -0.006 0.000 2.421 210 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.216 210 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.216 210 G C 1.568 176.462 174.900 -0.011 0.000 1.171 210 G CA 0.495 45.583 45.100 -0.019 0.000 0.775 210 G HN 0.082 nan 8.290 nan 0.000 0.543 211 L N 0.695 121.916 121.223 -0.004 0.000 2.083 211 L HA -0.043 4.296 4.340 -0.001 0.000 0.209 211 L C 3.363 180.255 176.870 0.037 0.000 1.083 211 L CA 0.945 55.795 54.840 0.017 0.000 0.752 211 L CB -0.364 41.715 42.059 0.033 0.000 0.899 211 L HN 0.306 nan 8.230 nan 0.000 0.433 212 A N 0.058 122.897 122.820 0.032 0.000 2.015 212 A HA -0.174 4.146 4.320 -0.001 0.000 0.219 212 A C 2.198 179.805 177.584 0.040 0.000 1.163 212 A CA 1.380 53.439 52.037 0.036 0.000 0.646 212 A CB -0.252 18.765 19.000 0.030 0.000 0.806 212 A HN 0.357 nan 8.150 nan 0.000 0.448 213 K N -0.365 120.057 120.400 0.037 0.000 2.426 213 K HA 0.185 4.504 4.320 -0.001 0.000 0.193 213 K C -0.058 176.581 176.600 0.065 0.000 1.028 213 K CA -0.170 56.143 56.287 0.044 0.000 1.047 213 K CB 0.143 32.664 32.500 0.035 0.000 0.821 213 K HN 0.255 nan 8.250 nan 0.000 0.513 214 V N 2.911 122.871 119.914 0.077 0.000 2.617 214 V HA -0.114 4.005 4.120 -0.001 0.000 0.304 214 V C 0.321 176.482 176.094 0.112 0.000 1.040 214 V CA 0.756 63.134 62.300 0.129 0.000 1.149 214 V CB 0.514 32.431 31.823 0.157 0.000 0.914 214 V HN 0.281 nan 8.190 nan 0.000 0.487 215 Q N 2.039 121.909 119.800 0.118 0.000 2.496 215 Q HA 0.603 4.942 4.340 -0.001 0.000 0.286 215 Q C -0.674 175.342 176.000 0.028 0.000 1.103 215 Q CA -1.049 54.799 55.803 0.074 0.000 0.813 215 Q CB 2.395 31.183 28.738 0.082 0.000 1.444 215 Q HN 0.731 nan 8.270 nan 0.000 0.443 216 V N -0.355 119.554 119.914 -0.010 0.000 2.901 216 V HA 0.062 4.181 4.120 -0.001 0.000 0.307 216 V C -0.519 175.463 176.094 -0.187 0.000 1.084 216 V CA -0.204 62.029 62.300 -0.112 0.000 1.184 216 V CB 0.333 32.077 31.823 -0.132 0.000 0.941 216 V HN 0.587 nan 8.190 nan 0.000 0.493 217 Q N 3.098 122.729 119.800 -0.282 0.000 2.333 217 Q HA 0.475 4.815 4.340 -0.001 0.000 0.268 217 Q C -0.647 175.146 176.000 -0.346 0.000 1.007 217 Q CA -1.023 54.589 55.803 -0.318 0.000 0.810 217 Q CB 1.904 30.412 28.738 -0.385 0.000 1.264 217 Q HN 0.889 nan 8.270 nan 0.000 0.452 218 L N 2.113 123.071 121.223 -0.441 0.000 2.578 218 L HA 0.150 4.490 4.340 -0.001 0.000 0.279 218 L C 1.202 178.016 176.870 -0.093 0.000 1.227 218 L CA 2.359 57.000 54.840 -0.331 0.000 0.900 218 L CB -0.088 41.760 42.059 -0.352 0.000 1.144 218 L HN 0.969 nan 8.230 nan 0.000 0.496 219 G N 3.136 112.014 108.800 0.131 0.000 2.254 219 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.225 219 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.225 219 G C 0.392 175.073 174.900 -0.364 0.000 1.003 219 G CA 0.156 45.206 45.100 -0.084 0.000 0.622 219 G HN 0.573 nan 8.290 nan 0.000 0.507 220 K N 2.450 122.558 120.400 -0.485 0.000 2.213 220 K HA 0.469 4.788 4.320 -0.001 0.000 0.270 220 K C -2.450 173.617 176.600 -0.889 0.000 1.002 220 K CA -1.835 53.874 56.287 -0.964 0.000 0.868 220 K CB 2.365 34.431 32.500 -0.723 0.000 1.093 220 K HN 0.143 nan 8.250 nan 0.000 0.454 221 P HA 0.090 nan 4.420 nan 0.000 0.271 221 P C -0.500 176.459 177.300 -0.569 0.000 1.218 221 P CA -0.002 62.519 63.100 -0.964 0.000 0.780 221 P CB 0.693 31.531 31.700 -1.437 0.000 0.901 222 I N 2.682 123.081 120.570 -0.286 0.000 2.353 222 I HA 0.207 4.377 4.170 -0.001 0.000 0.293 222 I C 1.068 177.105 176.117 -0.135 0.000 0.992 222 I CA -0.910 60.274 61.300 -0.194 0.000 1.268 222 I CB 0.796 38.724 38.000 -0.120 0.000 1.387 222 I HN 0.047 nan 8.210 nan 0.000 0.478 223 K N 7.587 127.907 120.400 -0.135 0.000 2.416 223 K HA 0.219 4.539 4.320 -0.001 0.000 0.283 223 K C -2.174 174.453 176.600 0.043 0.000 1.037 223 K CA -1.318 54.923 56.287 -0.076 0.000 0.995 223 K CB 0.328 32.765 32.500 -0.106 0.000 0.938 223 K HN 0.312 nan 8.250 nan 0.000 0.475 227 A N 0.121 122.967 122.820 0.044 0.000 2.475 227 A HA 0.761 5.081 4.320 -0.001 0.000 0.301 227 A C -1.440 176.164 177.584 0.033 0.000 1.059 227 A CA -0.463 51.622 52.037 0.081 0.000 0.710 227 A CB 2.200 21.306 19.000 0.177 0.000 1.288 227 A HN 0.598 nan 8.150 nan 0.000 0.408 228 Q N 0.184 119.996 119.800 0.020 0.000 2.212 228 Q HA 0.429 4.768 4.340 -0.001 0.000 0.238 228 Q C -0.468 175.537 176.000 0.008 0.000 0.955 228 Q CA -0.537 55.270 55.803 0.006 0.000 0.906 228 Q CB 1.460 30.196 28.738 -0.004 0.000 1.215 228 Q HN 0.757 nan 8.270 nan 0.000 0.478 229 Q N 0.313 120.116 119.800 0.005 0.000 2.256 229 Q HA 0.583 4.923 4.340 -0.001 0.000 0.257 229 Q C -1.623 174.374 176.000 -0.005 0.000 0.936 229 Q CA -0.426 55.379 55.803 0.003 0.000 0.903 229 Q CB 1.424 30.169 28.738 0.012 0.000 1.263 229 Q HN 0.664 nan 8.270 nan 0.000 0.440 230 A N 2.474 125.285 122.820 -0.014 0.000 2.306 230 A HA 0.685 5.004 4.320 -0.001 0.000 0.330 230 A C 0.478 178.044 177.584 -0.030 0.000 1.146 230 A CA 0.055 52.079 52.037 -0.022 0.000 0.827 230 A CB 1.100 20.085 19.000 -0.026 0.000 1.178 230 A HN 0.982 nan 8.150 nan 0.000 0.490 231 A N 0.686 123.486 122.820 -0.032 0.000 2.015 231 A HA 0.361 4.681 4.320 -0.001 0.000 0.219 231 A C 1.106 178.648 177.584 -0.069 0.000 1.163 231 A CA 1.745 53.759 52.037 -0.039 0.000 0.646 231 A CB -0.584 18.397 19.000 -0.032 0.000 0.806 231 A HN 2.053 nan 8.150 nan 0.000 0.448 232 S N -3.233 112.413 115.700 -0.090 0.000 2.615 232 S HA 0.482 4.951 4.470 -0.001 0.000 0.268 232 S C 0.397 174.905 174.600 -0.153 0.000 1.146 232 S CA -0.374 57.732 58.200 -0.157 0.000 0.818 232 S CB 0.060 63.187 63.200 -0.122 0.000 1.111 232 S HN -0.066 nan 8.310 nan 0.000 0.465 233 I N 1.268 121.690 120.570 -0.246 0.000 2.163 233 I HA -0.114 4.056 4.170 -0.001 0.000 0.243 233 I C 2.801 178.896 176.117 -0.038 0.000 1.085 233 I CA 1.871 63.079 61.300 -0.154 0.000 1.347 233 I CB -1.247 36.575 38.000 -0.298 0.000 1.044 233 I HN 0.894 nan 8.210 nan 0.000 0.408 234 R N 0.857 121.314 120.500 -0.071 0.000 2.096 234 R HA -0.228 4.111 4.340 -0.001 0.000 0.240 234 R C 1.920 178.217 176.300 -0.004 0.000 1.139 234 R CA 2.192 58.275 56.100 -0.028 0.000 0.952 234 R CB -0.148 30.128 30.300 -0.040 0.000 0.854 234 R HN 0.265 nan 8.270 nan 0.000 0.436 235 D N -0.121 120.267 120.400 -0.020 0.000 2.144 235 D HA -0.100 4.540 4.640 -0.001 0.000 0.199 235 D C 1.701 178.001 176.300 0.001 0.000 0.984 235 D CA 1.496 55.488 54.000 -0.013 0.000 0.834 235 D CB -0.231 40.554 40.800 -0.025 0.000 0.955 235 D HN 0.421 nan 8.370 nan 0.000 0.465 236 A N 0.362 123.190 122.820 0.014 0.000 1.877 236 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 236 A C 2.121 179.724 177.584 0.032 0.000 1.186 236 A CA 0.925 52.974 52.037 0.020 0.000 0.620 236 A CB -0.764 18.269 19.000 0.054 0.000 0.822 236 A HN 0.236 nan 8.150 nan 0.000 0.443 237 L N -1.045 120.243 121.223 0.108 0.000 2.083 237 L HA -0.102 4.237 4.340 -0.001 0.000 0.209 237 L C 2.235 179.131 176.870 0.043 0.000 1.083 237 L CA 1.387 56.294 54.840 0.112 0.000 0.752 237 L CB -0.530 41.635 42.059 0.175 0.000 0.899 237 L HN 0.331 nan 8.230 nan 0.000 0.433 238 L N -0.504 120.737 121.223 0.029 0.000 2.017 238 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 238 L C 1.555 178.426 176.870 0.003 0.000 1.073 238 L CA 1.206 56.053 54.840 0.013 0.000 0.745 238 L CB -0.762 41.301 42.059 0.006 0.000 0.894 238 L HN 0.375 nan 8.230 nan 0.000 0.432 242 G N -0.250 108.561 108.800 0.019 0.000 2.195 242 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.224 242 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.224 242 G C -0.057 174.873 174.900 0.050 0.000 0.990 242 G CA 0.697 45.817 45.100 0.034 0.000 0.639 242 G HN 0.987 nan 8.290 nan 0.000 0.514 243 E N -0.357 119.866 120.200 0.038 0.000 2.356 243 E HA 0.746 5.095 4.350 -0.001 0.000 0.275 243 E C -0.634 175.964 176.600 -0.004 0.000 0.904 243 E CA -0.252 56.178 56.400 0.050 0.000 0.757 243 E CB 1.949 31.674 29.700 0.042 0.000 1.232 243 E HN 1.358 nan 8.360 nan 0.000 0.442 244 A N 2.527 125.335 122.820 -0.020 0.000 2.597 244 A HA 0.445 4.764 4.320 -0.001 0.000 0.292 244 A C -1.547 175.896 177.584 -0.235 0.000 1.057 244 A CA -0.741 51.159 52.037 -0.227 0.000 0.674 244 A CB 1.518 20.211 19.000 -0.511 0.000 1.278 244 A HN 0.651 nan 8.150 nan 0.000 0.416 245 E N 0.502 120.511 120.200 -0.319 0.000 2.229 245 E HA 0.614 4.963 4.350 -0.001 0.000 0.283 245 E C -1.543 174.812 176.600 -0.409 0.000 1.030 245 E CA 0.154 56.447 56.400 -0.178 0.000 0.836 245 E CB 0.275 29.873 29.700 -0.170 0.000 1.068 245 E HN 0.337 nan 8.360 nan 0.000 0.401 246 F N 2.643 122.624 119.950 0.051 0.000 2.492 246 F HA 0.504 5.030 4.527 -0.001 0.000 0.327 246 F C 0.197 176.131 175.800 0.223 0.000 1.079 246 F CA -0.593 57.466 58.000 0.098 0.000 0.967 246 F CB 2.005 41.151 39.000 0.242 0.000 1.169 246 F HN 0.480 nan 8.300 nan 0.000 0.472 247 E N 1.779 122.115 120.200 0.227 0.000 2.390 247 E HA 0.437 4.786 4.350 -0.001 0.000 0.277 247 E C -1.192 175.287 176.600 -0.201 0.000 0.939 247 E CA -0.927 55.559 56.400 0.142 0.000 0.769 247 E CB 2.814 32.525 29.700 0.018 0.000 1.251 247 E HN 0.392 nan 8.360 nan 0.000 0.450 248 I N 1.924 122.284 120.570 -0.350 0.000 2.648 248 I HA -0.014 4.156 4.170 -0.001 0.000 0.284 248 I C 0.479 176.160 176.117 -0.726 0.000 1.153 248 I CA 0.449 61.309 61.300 -0.734 0.000 1.426 248 I CB 0.290 37.675 38.000 -1.025 0.000 1.381 248 I HN 0.248 nan 8.210 nan 0.000 0.571 249 K N 7.426 127.499 120.400 -0.546 0.000 2.231 249 K HA 0.232 4.552 4.320 -0.001 0.000 0.275 249 K C -1.122 175.266 176.600 -0.353 0.000 1.105 249 K CA -0.453 55.623 56.287 -0.351 0.000 0.931 249 K CB 0.279 32.660 32.500 -0.198 0.000 1.296 249 K HN 0.323 nan 8.250 nan 0.000 0.446 250 Y N 1.787 121.991 120.300 -0.161 0.000 2.425 250 Y HA -0.016 4.533 4.550 -0.002 0.000 0.331 250 Y C 0.643 176.569 175.900 0.043 0.000 1.157 250 Y CA -0.167 57.868 58.100 -0.108 0.000 1.372 250 Y CB 0.616 39.027 38.460 -0.082 0.000 1.253 250 Y HN 0.535 nan 8.280 nan 0.000 0.536 251 D N 2.367 122.944 120.400 0.295 0.000 2.479 251 D HA 0.390 5.030 4.640 -0.001 0.000 0.218 251 D C 0.132 176.584 176.300 0.254 0.000 1.131 251 D CA 0.174 54.301 54.000 0.212 0.000 0.916 251 D CB 0.059 40.982 40.800 0.206 0.000 1.022 251 D HN 0.786 nan 8.370 nan 0.000 0.515 252 G N 1.248 110.173 108.800 0.208 0.000 3.255 252 G HA2 0.663 4.622 3.960 -0.001 0.000 0.161 252 G HA3 0.663 4.622 3.960 -0.001 0.000 0.161 252 G C -1.320 173.683 174.900 0.173 0.000 1.173 252 G CA -0.004 45.226 45.100 0.216 0.000 1.106 252 G HN 0.508 nan 8.290 nan 0.000 0.650 253 A N -0.188 122.727 122.820 0.159 0.000 2.374 253 A HA 0.783 5.103 4.320 -0.001 0.000 0.305 253 A C -0.300 177.440 177.584 0.261 0.000 1.053 253 A CA -0.518 51.639 52.037 0.199 0.000 0.726 253 A CB 1.525 20.626 19.000 0.168 0.000 1.229 253 A HN 0.653 nan 8.150 nan 0.000 0.431 254 R N 1.300 121.962 120.500 0.270 0.000 2.438 254 R HA 0.510 4.850 4.340 -0.001 0.000 0.287 254 R C -0.430 176.020 176.300 0.251 0.000 1.077 254 R CA 0.053 56.321 56.100 0.281 0.000 1.034 254 R CB 0.509 30.995 30.300 0.310 0.000 0.993 254 R HN 0.888 nan 8.270 nan 0.000 0.459 255 V N 0.857 120.877 119.914 0.176 0.000 3.040 255 V HA 0.514 4.634 4.120 -0.001 0.000 0.312 255 V C -1.236 174.899 176.094 0.068 0.000 1.115 255 V CA -1.031 61.347 62.300 0.131 0.000 0.998 255 V CB 1.874 33.773 31.823 0.127 0.000 1.042 255 V HN 0.861 nan 8.190 nan 0.000 0.433 256 Q N 1.385 121.248 119.800 0.104 0.000 2.337 256 Q HA 0.748 5.087 4.340 -0.001 0.000 0.270 256 Q C -1.939 174.156 176.000 0.158 0.000 1.043 256 Q CA -0.652 55.224 55.803 0.121 0.000 0.794 256 Q CB 2.411 31.272 28.738 0.205 0.000 1.281 256 Q HN 0.836 nan 8.270 nan 0.000 0.446 257 V N 4.285 124.251 119.914 0.087 0.000 2.417 257 V HA 0.402 4.521 4.120 -0.001 0.000 0.291 257 V C -0.598 175.550 176.094 0.092 0.000 1.024 257 V CA -0.615 61.726 62.300 0.069 0.000 0.861 257 V CB 1.471 33.282 31.823 -0.020 0.000 0.985 257 V HN 0.791 nan 8.190 nan 0.000 0.436 258 H N 4.076 123.096 119.070 -0.084 0.000 2.481 258 H HA 0.490 5.045 4.556 -0.001 0.000 0.333 258 H C -0.526 174.758 175.328 -0.073 0.000 1.066 258 H CA -0.739 55.265 56.048 -0.073 0.000 1.209 258 H CB 2.504 32.226 29.762 -0.066 0.000 1.445 258 H HN 0.507 nan 8.280 nan 0.000 0.488 259 K N 2.749 123.166 120.400 0.029 0.000 2.376 259 K HA 0.148 4.467 4.320 -0.001 0.000 0.257 259 K C -1.518 175.098 176.600 0.026 0.000 0.939 259 K CA -0.658 55.638 56.287 0.014 0.000 0.809 259 K CB 1.379 33.877 32.500 -0.002 0.000 1.121 259 K HN 0.508 nan 8.250 nan 0.000 0.425 260 D N 3.682 124.094 120.400 0.019 0.000 2.358 260 D HA 0.342 4.982 4.640 -0.001 0.000 0.253 260 D C 0.410 176.718 176.300 0.013 0.000 1.288 260 D CA 0.835 54.850 54.000 0.025 0.000 0.950 260 D CB 1.004 41.817 40.800 0.021 0.000 1.197 260 D HN 0.843 nan 8.370 nan 0.000 0.550 261 G N 3.039 111.847 108.800 0.012 0.000 2.536 261 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.280 261 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.280 261 G C 0.934 175.833 174.900 -0.002 0.000 1.152 261 G CA 0.598 45.700 45.100 0.004 0.000 0.970 261 G HN 1.042 nan 8.290 nan 0.000 0.549 262 S N 0.113 115.810 115.700 -0.005 0.000 2.575 262 S HA 0.322 4.792 4.470 -0.001 0.000 0.215 262 S C 0.774 175.366 174.600 -0.013 0.000 0.966 262 S CA 1.306 59.500 58.200 -0.009 0.000 0.911 262 S CB 0.254 63.448 63.200 -0.010 0.000 0.780 262 S HN 0.812 nan 8.310 nan 0.000 0.514 263 K N 1.751 122.144 120.400 -0.012 0.000 2.258 263 K HA 0.387 4.706 4.320 -0.001 0.000 0.284 263 K C -0.973 175.613 176.600 -0.022 0.000 1.051 263 K CA -0.518 55.758 56.287 -0.019 0.000 0.923 263 K CB 0.345 32.835 32.500 -0.016 0.000 1.046 263 K HN 0.173 nan 8.250 nan 0.000 0.474 264 I N 6.217 126.763 120.570 -0.039 0.000 2.545 264 I HA 0.396 4.565 4.170 -0.001 0.000 0.292 264 I C -0.278 175.779 176.117 -0.100 0.000 1.040 264 I CA -0.797 60.472 61.300 -0.052 0.000 1.068 264 I CB 1.603 39.574 38.000 -0.049 0.000 1.251 264 I HN 0.653 nan 8.210 nan 0.000 0.424 265 I N 5.574 126.060 120.570 -0.141 0.000 2.498 265 I HA 0.492 4.662 4.170 -0.001 0.000 0.290 265 I C -0.725 175.167 176.117 -0.373 0.000 1.032 265 I CA -0.891 60.219 61.300 -0.316 0.000 1.073 265 I CB 2.602 40.328 38.000 -0.458 0.000 1.251 265 I HN 0.112 nan 8.210 nan 0.000 0.426 266 V N 6.261 125.917 119.914 -0.429 0.000 2.487 266 V HA 0.426 4.546 4.120 -0.001 0.000 0.298 266 V C -1.012 174.810 176.094 -0.453 0.000 1.028 266 V CA -0.711 61.400 62.300 -0.316 0.000 0.860 266 V CB 1.545 33.272 31.823 -0.160 0.000 0.991 266 V HN 0.445 nan 8.190 nan 0.000 0.427 267 Y N 2.011 122.253 120.300 -0.096 0.000 2.409 267 Y HA 0.565 5.114 4.550 -0.001 0.000 0.339 267 Y C 1.022 176.855 175.900 -0.111 0.000 1.033 267 Y CA -0.490 57.540 58.100 -0.116 0.000 1.094 267 Y CB 2.157 40.550 38.460 -0.111 0.000 1.210 267 Y HN 0.756 nan 8.280 nan 0.000 0.456 268 S N 1.460 117.166 115.700 0.010 0.000 2.671 268 S HA 0.257 4.727 4.470 -0.001 0.000 0.272 268 S C 1.256 175.923 174.600 0.112 0.000 1.174 268 S CA -0.641 57.549 58.200 -0.016 0.000 1.004 268 S CB 1.053 64.155 63.200 -0.163 0.000 1.077 268 S HN 0.770 nan 8.310 nan 0.000 0.553 269 R N 1.434 122.031 120.500 0.161 0.000 2.105 269 R HA -0.097 4.242 4.340 -0.001 0.000 0.239 269 R C 2.222 178.592 176.300 0.115 0.000 1.135 269 R CA 2.150 58.342 56.100 0.153 0.000 0.967 269 R CB -0.758 29.646 30.300 0.173 0.000 0.861 269 R HN 0.852 nan 8.270 nan 0.000 0.442 270 R N 0.910 121.479 120.500 0.114 0.000 2.325 270 R HA 0.126 4.465 4.340 -0.001 0.000 0.214 270 R C 0.275 176.635 176.300 0.100 0.000 0.961 270 R CA 0.621 56.783 56.100 0.103 0.000 1.086 270 R CB -0.302 30.064 30.300 0.109 0.000 1.037 270 R HN 0.257 nan 8.270 nan 0.000 0.493 271 L N 0.627 121.902 121.223 0.087 0.000 4.291 271 L HA -0.229 4.110 4.340 -0.001 0.000 0.413 271 L C -0.022 176.978 176.870 0.215 0.000 1.162 271 L CA 0.768 55.654 54.840 0.076 0.000 0.961 271 L CB -1.804 40.229 42.059 -0.043 0.000 2.095 271 L HN 0.551 nan 8.230 nan 0.000 0.838 272 E N 1.633 121.929 120.200 0.161 0.000 2.373 272 E HA 0.086 4.436 4.350 -0.001 0.000 0.267 272 E C 0.441 177.128 176.600 0.145 0.000 1.032 272 E CA -0.332 56.148 56.400 0.133 0.000 0.889 272 E CB 0.660 30.380 29.700 0.033 0.000 0.984 272 E HN 0.303 nan 8.360 nan 0.000 0.425 273 N N 3.681 122.463 118.700 0.137 0.000 2.402 273 N HA 0.027 4.766 4.740 -0.001 0.000 0.259 273 N C 0.372 175.796 175.510 -0.144 0.000 1.167 273 N CA -0.354 52.668 53.050 -0.046 0.000 0.949 273 N CB 0.552 39.022 38.487 -0.027 0.000 1.212 273 N HN 0.338 nan 8.380 nan 0.000 0.493 274 V N 0.698 120.463 119.914 -0.248 0.000 3.271 274 V HA 0.128 4.247 4.120 -0.001 0.000 0.327 274 V C 1.455 177.435 176.094 -0.189 0.000 1.389 274 V CA -0.106 62.026 62.300 -0.279 0.000 1.156 274 V CB -0.249 31.179 31.823 -0.659 0.000 1.103 274 V HN 0.528 nan 8.190 nan 0.000 0.453 275 T N 1.563 116.004 114.554 -0.188 0.000 2.653 275 T HA -0.267 4.082 4.350 -0.001 0.000 0.268 275 T C 2.420 177.077 174.700 -0.071 0.000 1.035 275 T CA 3.172 65.190 62.100 -0.137 0.000 1.154 275 T CB -0.461 68.312 68.868 -0.159 0.000 0.862 275 T HN 0.791 nan 8.240 nan 0.000 0.441 276 R N 0.874 121.336 120.500 -0.062 0.000 2.193 276 R HA 0.349 4.688 4.340 -0.001 0.000 0.229 276 R C 2.508 178.811 176.300 0.005 0.000 1.110 276 R CA 1.633 57.716 56.100 -0.028 0.000 0.988 276 R CB -1.387 28.896 30.300 -0.028 0.000 0.871 276 R HN 0.585 nan 8.270 nan 0.000 0.458 277 A N 0.911 123.745 122.820 0.024 0.000 2.067 277 A HA 0.261 4.581 4.320 -0.001 0.000 0.217 277 A C 1.511 179.155 177.584 0.100 0.000 1.156 277 A CA 1.059 53.148 52.037 0.088 0.000 0.683 277 A CB -0.143 18.964 19.000 0.178 0.000 0.808 277 A HN 0.839 nan 8.150 nan 0.000 0.455 278 I N -4.838 115.777 120.570 0.075 0.000 2.954 278 I HA 0.349 4.519 4.170 -0.001 0.000 0.312 278 I C -2.508 173.627 176.117 0.030 0.000 1.391 278 I CA -1.963 59.380 61.300 0.072 0.000 0.906 278 I CB 1.244 39.315 38.000 0.119 0.000 2.079 278 I HN -0.170 nan 8.210 nan 0.000 0.618 279 P HA -0.192 nan 4.420 nan 0.000 0.216 279 P C 1.131 178.432 177.300 0.001 0.000 1.153 279 P CA 1.781 64.883 63.100 0.002 0.000 0.858 279 P CB 0.238 31.939 31.700 0.001 0.000 0.789 280 E N -0.732 119.472 120.200 0.006 0.000 2.150 280 E HA -0.129 4.221 4.350 -0.001 0.000 0.193 280 E C 1.907 178.508 176.600 0.002 0.000 0.985 280 E CA 0.987 57.388 56.400 0.002 0.000 0.814 280 E CB -1.406 28.295 29.700 0.003 0.000 0.752 280 E HN 0.206 nan 8.360 nan 0.000 0.466 281 I N 0.738 121.314 120.570 0.010 0.000 2.286 281 I HA -0.136 4.034 4.170 -0.001 0.000 0.245 281 I C 2.165 178.279 176.117 -0.004 0.000 1.104 281 I CA 0.672 61.977 61.300 0.008 0.000 1.397 281 I CB -0.841 37.175 38.000 0.027 0.000 1.072 281 I HN 0.034 nan 8.210 nan 0.000 0.417 282 V N 1.015 120.924 119.914 -0.008 0.000 2.287 282 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 282 V C 2.612 178.695 176.094 -0.018 0.000 1.053 282 V CA 1.646 63.934 62.300 -0.020 0.000 1.027 282 V CB -0.555 31.252 31.823 -0.027 0.000 0.646 282 V HN 0.365 nan 8.190 nan 0.000 0.447 283 E N 0.262 120.454 120.200 -0.013 0.000 2.077 283 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 283 E C 2.375 178.968 176.600 -0.013 0.000 0.989 283 E CA 1.551 57.944 56.400 -0.013 0.000 0.800 283 E CB -0.581 29.113 29.700 -0.010 0.000 0.746 283 E HN 0.578 nan 8.360 nan 0.000 0.452 284 A N 1.149 123.962 122.820 -0.012 0.000 1.933 284 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 284 A C 2.403 179.977 177.584 -0.017 0.000 1.175 284 A CA 1.110 53.139 52.037 -0.013 0.000 0.628 284 A CB -0.700 18.293 19.000 -0.011 0.000 0.814 284 A HN 0.179 nan 8.150 nan 0.000 0.444 285 L N -0.742 120.470 121.223 -0.019 0.000 2.083 285 L HA -0.197 4.143 4.340 -0.001 0.000 0.209 285 L C 2.527 179.384 176.870 -0.022 0.000 1.083 285 L CA 1.622 56.448 54.840 -0.024 0.000 0.752 285 L CB -0.396 41.647 42.059 -0.027 0.000 0.899 285 L HN 0.350 nan 8.230 nan 0.000 0.433 286 K N -0.320 120.068 120.400 -0.019 0.000 2.103 286 K HA -0.253 4.067 4.320 -0.001 0.000 0.207 286 K C 2.028 178.618 176.600 -0.016 0.000 1.048 286 K CA 1.638 57.914 56.287 -0.017 0.000 0.930 286 K CB -0.042 32.449 32.500 -0.016 0.000 0.716 286 K HN 0.169 nan 8.250 nan 0.000 0.444 287 E N 0.815 121.006 120.200 -0.015 0.000 2.060 287 E HA -0.016 4.334 4.350 -0.001 0.000 0.189 287 E C 1.785 178.376 176.600 -0.016 0.000 0.974 287 E CA 1.154 57.545 56.400 -0.014 0.000 0.808 287 E CB -0.101 29.592 29.700 -0.012 0.000 0.768 287 E HN 0.210 nan 8.360 nan 0.000 0.453 288 A N 0.820 123.629 122.820 -0.018 0.000 1.930 288 A HA 0.035 4.354 4.320 -0.001 0.000 0.217 288 A C 1.163 178.732 177.584 -0.023 0.000 1.175 288 A CA 0.729 52.753 52.037 -0.020 0.000 0.627 288 A CB -0.539 18.447 19.000 -0.023 0.000 0.815 288 A HN 0.297 nan 8.150 nan 0.000 0.443 289 I N 0.998 121.553 120.570 -0.025 0.000 2.363 289 I HA 0.079 4.249 4.170 -0.001 0.000 0.292 289 I C 0.865 176.968 176.117 -0.024 0.000 1.075 289 I CA -0.184 61.100 61.300 -0.027 0.000 1.333 289 I CB 0.828 38.811 38.000 -0.029 0.000 1.415 289 I HN 0.272 nan 8.210 nan 0.000 0.502 290 I N 6.941 127.496 120.570 -0.025 0.000 2.163 290 I HA -0.063 4.106 4.170 -0.001 0.000 0.240 290 I C -0.969 175.134 176.117 -0.024 0.000 1.081 290 I CA 0.479 61.765 61.300 -0.024 0.000 1.353 290 I CB -1.234 36.751 38.000 -0.025 0.000 1.054 290 I HN 0.478 nan 8.210 nan 0.000 0.407 291 P HA -0.026 nan 4.420 nan 0.000 0.269 291 P C 0.172 177.461 177.300 -0.018 0.000 1.215 291 P CA 0.270 63.352 63.100 -0.030 0.000 0.780 291 P CB 0.764 32.437 31.700 -0.045 0.000 0.898 292 E N 1.294 121.485 120.200 -0.014 0.000 2.077 292 E HA -0.110 4.240 4.350 -0.001 0.000 0.193 292 E C 0.251 176.859 176.600 0.014 0.000 0.989 292 E CA 1.561 57.960 56.400 -0.002 0.000 0.800 292 E CB 0.010 29.710 29.700 -0.000 0.000 0.746 292 E HN 0.541 nan 8.360 nan 0.000 0.452 293 K N -0.514 119.901 120.400 0.026 0.000 2.324 293 K HA 0.674 4.994 4.320 -0.001 0.000 0.253 293 K C -0.901 175.755 176.600 0.094 0.000 0.932 293 K CA -0.448 55.891 56.287 0.086 0.000 0.799 293 K CB 2.516 35.117 32.500 0.168 0.000 1.154 293 K HN 0.010 nan 8.250 nan 0.000 0.425 294 A N 2.748 125.638 122.820 0.118 0.000 2.597 294 A HA 0.621 4.940 4.320 -0.001 0.000 0.292 294 A C -1.711 175.872 177.584 -0.002 0.000 1.057 294 A CA -0.726 51.370 52.037 0.098 0.000 0.674 294 A CB 0.970 19.969 19.000 -0.002 0.000 1.278 294 A HN 0.636 nan 8.150 nan 0.000 0.416 295 I N 1.475 122.012 120.570 -0.055 0.000 2.466 295 I HA 0.606 4.776 4.170 -0.001 0.000 0.289 295 I C -0.442 175.563 176.117 -0.187 0.000 1.026 295 I CA -0.974 60.147 61.300 -0.297 0.000 1.078 295 I CB 1.995 39.677 38.000 -0.530 0.000 1.249 295 I HN 0.746 nan 8.210 nan 0.000 0.429 296 V N 2.750 122.564 119.914 -0.167 0.000 3.130 296 V HA 0.807 4.926 4.120 -0.001 0.000 0.310 296 V C -1.028 174.973 176.094 -0.155 0.000 1.158 296 V CA -0.607 61.608 62.300 -0.142 0.000 1.029 296 V CB 2.099 33.853 31.823 -0.115 0.000 1.057 296 V HN 0.880 nan 8.190 nan 0.000 0.436 297 E N 0.946 121.009 120.200 -0.228 0.000 2.408 297 E HA 0.921 5.271 4.350 -0.001 0.000 0.275 297 E C -0.386 175.766 176.600 -0.747 0.000 0.935 297 E CA -0.625 55.581 56.400 -0.324 0.000 0.775 297 E CB 2.373 31.961 29.700 -0.187 0.000 1.277 297 E HN 1.459 nan 8.360 nan 0.000 0.455 298 G N 0.341 108.711 108.800 -0.717 0.000 2.548 298 G HA2 0.382 4.341 3.960 -0.001 0.000 0.301 298 G HA3 0.382 4.341 3.960 -0.001 0.000 0.301 298 G C -1.701 173.098 174.900 -0.167 0.000 1.349 298 G CA -0.828 43.791 45.100 -0.801 0.000 0.792 298 G HN 0.505 nan 8.290 nan 0.000 0.481 299 E N -0.378 119.898 120.200 0.127 0.000 2.133 299 E HA 0.570 4.919 4.350 -0.001 0.000 0.274 299 E C -0.951 175.691 176.600 0.070 0.000 0.930 299 E CA -0.610 55.925 56.400 0.224 0.000 0.770 299 E CB 1.508 31.419 29.700 0.351 0.000 1.104 299 E HN 0.444 nan 8.360 nan 0.000 0.403 300 L N 5.705 126.995 121.223 0.110 0.000 2.265 300 L HA 0.468 4.807 4.340 -0.001 0.000 0.288 300 L C -1.364 175.552 176.870 0.076 0.000 1.058 300 L CA -0.407 54.480 54.840 0.078 0.000 0.809 300 L CB 1.123 43.268 42.059 0.143 0.000 1.179 300 L HN 0.435 nan 8.230 nan 0.000 0.429 301 V N 4.804 124.750 119.914 0.052 0.000 2.680 301 V HA 0.760 4.880 4.120 -0.001 0.000 0.309 301 V C 0.138 176.263 176.094 0.052 0.000 1.052 301 V CA -0.696 61.655 62.300 0.086 0.000 0.908 301 V CB 1.609 33.511 31.823 0.131 0.000 1.001 301 V HN 0.954 nan 8.190 nan 0.000 0.431 302 A N 5.524 128.374 122.820 0.049 0.000 2.331 302 A HA 0.757 5.076 4.320 -0.001 0.000 0.283 302 A C -0.532 177.034 177.584 -0.030 0.000 1.142 302 A CA -0.293 51.746 52.037 0.003 0.000 0.812 302 A CB 0.157 19.160 19.000 0.004 0.000 1.074 302 A HN 0.592 nan 8.150 nan 0.000 0.497 303 I N 2.646 123.190 120.570 -0.044 0.000 2.378 303 I HA 0.377 4.546 4.170 -0.001 0.000 0.291 303 I C 1.014 177.076 176.117 -0.091 0.000 0.992 303 I CA -0.114 61.157 61.300 -0.049 0.000 1.154 303 I CB 0.854 38.845 38.000 -0.015 0.000 1.315 303 I HN 0.744 nan 8.210 nan 0.000 0.448 304 G N 4.076 112.809 108.800 -0.112 0.000 2.588 304 G HA2 0.265 4.224 3.960 -0.001 0.000 0.281 304 G HA3 0.265 4.224 3.960 -0.001 0.000 0.281 304 G C 0.827 175.681 174.900 -0.078 0.000 1.236 304 G CA -0.124 44.900 45.100 -0.126 0.000 0.969 304 G HN 0.742 nan 8.290 nan 0.000 0.504 305 E N -0.585 119.573 120.200 -0.069 0.000 2.204 305 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 305 E C 1.500 178.077 176.600 -0.038 0.000 0.989 305 E CA 1.573 57.946 56.400 -0.045 0.000 0.824 305 E CB -0.222 29.456 29.700 -0.037 0.000 0.756 305 E HN 0.470 nan 8.360 nan 0.000 0.477 306 N N 0.155 118.828 118.700 -0.045 0.000 2.370 306 N HA 0.106 4.846 4.740 -0.001 0.000 0.198 306 N C 1.288 176.777 175.510 -0.034 0.000 1.156 306 N CA 0.578 53.605 53.050 -0.037 0.000 0.839 306 N CB 0.308 38.770 38.487 -0.042 0.000 0.989 306 N HN 0.359 nan 8.380 nan 0.000 0.468 307 G N -0.114 108.666 108.800 -0.034 0.000 2.212 307 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.266 307 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.266 307 G C 0.189 175.073 174.900 -0.026 0.000 0.978 307 G CA 0.299 45.386 45.100 -0.022 0.000 0.632 307 G HN 0.517 nan 8.290 nan 0.000 0.537 308 R N 0.981 121.450 120.500 -0.052 0.000 2.577 308 R HA 0.471 4.810 4.340 -0.001 0.000 0.269 308 R C -2.401 173.848 176.300 -0.085 0.000 1.084 308 R CA -1.643 54.410 56.100 -0.079 0.000 1.163 308 R CB 0.341 30.582 30.300 -0.098 0.000 1.100 308 R HN 0.107 nan 8.270 nan 0.000 0.547 309 P HA 0.034 nan 4.420 nan 0.000 0.271 309 P C -0.601 176.641 177.300 -0.097 0.000 1.216 309 P CA 0.194 63.260 63.100 -0.057 0.000 0.776 309 P CB 0.520 32.196 31.700 -0.040 0.000 0.881 310 L N 4.926 126.074 121.223 -0.125 0.000 2.416 310 L HA 0.436 4.775 4.340 -0.001 0.000 0.262 310 L C -1.936 174.871 176.870 -0.105 0.000 1.093 310 L CA -2.403 52.283 54.840 -0.255 0.000 0.801 310 L CB 0.494 42.226 42.059 -0.545 0.000 1.191 310 L HN 0.204 nan 8.230 nan 0.000 0.459 311 P HA -0.112 nan 4.420 nan 0.000 0.266 311 P C 0.271 177.630 177.300 0.098 0.000 1.193 311 P CA 0.080 63.214 63.100 0.057 0.000 0.770 311 P CB 0.250 32.002 31.700 0.087 0.000 0.836 312 F N 1.484 121.489 119.950 0.092 0.000 2.333 312 F HA -0.164 4.363 4.527 -0.001 0.000 0.300 312 F C 1.630 177.462 175.800 0.053 0.000 1.083 312 F CA 0.994 59.034 58.000 0.068 0.000 1.395 312 F CB -1.244 37.785 39.000 0.047 0.000 1.056 312 F HN 0.191 nan 8.300 nan 0.000 0.529 313 Q N 0.138 119.481 119.800 -0.762 0.000 2.181 313 Q HA -0.186 4.154 4.340 -0.001 0.000 0.205 313 Q C 1.756 177.607 176.000 -0.249 0.000 0.980 313 Q CA 2.050 57.517 55.803 -0.559 0.000 0.862 313 Q CB -0.782 27.598 28.738 -0.596 0.000 0.905 313 Q HN 0.632 nan 8.270 nan 0.000 0.429 314 Y N -0.985 119.194 120.300 -0.200 0.000 2.274 314 Y HA -0.183 4.366 4.550 -0.001 0.000 0.290 314 Y C 2.120 177.936 175.900 -0.141 0.000 1.145 314 Y CA 0.861 58.883 58.100 -0.130 0.000 1.203 314 Y CB -0.202 38.201 38.460 -0.095 0.000 0.984 314 Y HN -0.051 nan 8.280 nan 0.000 0.533 315 V N -0.178 119.732 119.914 -0.008 0.000 2.379 315 V HA -0.266 3.854 4.120 -0.001 0.000 0.245 315 V C 2.208 178.021 176.094 -0.468 0.000 1.044 315 V CA 1.474 63.646 62.300 -0.213 0.000 1.036 315 V CB -0.720 30.996 31.823 -0.179 0.000 0.664 315 V HN 0.371 nan 8.190 nan 0.000 0.453 316 L N -0.585 120.477 121.223 -0.269 0.000 2.131 316 L HA -0.142 4.197 4.340 -0.001 0.000 0.210 316 L C 2.798 179.606 176.870 -0.103 0.000 1.092 316 L CA 1.389 56.112 54.840 -0.195 0.000 0.759 316 L CB -0.663 41.414 42.059 0.031 0.000 0.903 316 L HN 0.259 nan 8.230 nan 0.000 0.435 317 R N -0.221 120.207 120.500 -0.119 0.000 2.081 317 R HA -0.118 4.221 4.340 -0.001 0.000 0.235 317 R C 2.466 178.757 176.300 -0.015 0.000 1.131 317 R CA 1.009 57.065 56.100 -0.073 0.000 0.960 317 R CB -0.263 29.961 30.300 -0.127 0.000 0.856 317 R HN 0.289 nan 8.270 nan 0.000 0.436 318 R N 0.234 120.703 120.500 -0.052 0.000 2.105 318 R HA -0.103 4.237 4.340 -0.001 0.000 0.239 318 R C 2.179 178.588 176.300 0.183 0.000 1.135 318 R CA 1.357 57.471 56.100 0.024 0.000 0.967 318 R CB -0.671 29.616 30.300 -0.020 0.000 0.861 318 R HN 0.359 nan 8.270 nan 0.000 0.442 319 F N 0.568 120.548 119.950 0.050 0.000 2.186 319 F HA -0.123 4.404 4.527 0.000 0.000 0.299 319 F C 2.446 178.271 175.800 0.042 0.000 1.090 319 F CA 0.485 58.514 58.000 0.049 0.000 1.307 319 F CB -0.092 38.948 39.000 0.066 0.000 1.019 319 F HN 0.015 nan 8.300 nan 0.000 0.489 320 R N 0.448 121.086 120.500 0.230 0.000 2.235 320 R HA -0.017 4.322 4.340 -0.001 0.000 0.213 320 R C 0.171 176.532 176.300 0.102 0.000 1.059 320 R CA 0.221 56.403 56.100 0.137 0.000 0.997 320 R CB -0.222 30.133 30.300 0.092 0.000 0.884 320 R HN 0.136 nan 8.270 nan 0.000 0.462 321 R N -0.414 120.152 120.500 0.108 0.000 3.092 321 R HA -0.220 4.119 4.340 -0.001 0.000 0.245 321 R C 0.805 177.151 176.300 0.077 0.000 0.881 321 R CA 0.934 57.088 56.100 0.090 0.000 0.614 321 R CB -1.497 28.849 30.300 0.077 0.000 1.128 321 R HN 0.407 nan 8.270 nan 0.000 0.483 322 K N 0.263 120.711 120.400 0.080 0.000 2.308 322 K HA 0.005 4.325 4.320 -0.001 0.000 0.197 322 K C 0.664 177.311 176.600 0.080 0.000 1.049 322 K CA 1.028 57.349 56.287 0.057 0.000 0.991 322 K CB 0.174 32.693 32.500 0.032 0.000 0.836 322 K HN 0.437 nan 8.250 nan 0.000 0.500 323 H N 0.715 119.789 119.070 0.007 0.000 2.651 323 H HA 0.402 4.957 4.556 -0.001 0.000 0.353 323 H C -0.916 174.420 175.328 0.013 0.000 1.178 323 H CA -1.493 54.559 56.048 0.007 0.000 1.224 323 H CB 1.190 30.954 29.762 0.004 0.000 1.702 323 H HN 0.179 nan 8.280 nan 0.000 0.550 324 N N 2.596 121.563 118.700 0.445 0.000 2.468 324 N HA -0.051 4.689 4.740 -0.001 0.000 0.265 324 N C 1.393 176.917 175.510 0.024 0.000 1.199 324 N CA -0.005 53.142 53.050 0.162 0.000 0.928 324 N CB 0.764 39.338 38.487 0.146 0.000 1.059 324 N HN 0.460 nan 8.380 nan 0.000 0.467 325 I N 2.050 122.634 120.570 0.025 0.000 2.290 325 I HA -0.296 3.873 4.170 -0.001 0.000 0.253 325 I C 2.175 178.273 176.117 -0.033 0.000 1.112 325 I CA 1.297 62.597 61.300 0.000 0.000 1.377 325 I CB -0.209 37.802 38.000 0.017 0.000 1.060 325 I HN 0.514 nan 8.210 nan 0.000 0.428 326 E N 0.971 121.154 120.200 -0.029 0.000 2.023 326 E HA -0.164 4.185 4.350 -0.001 0.000 0.196 326 E C 1.523 178.071 176.600 -0.086 0.000 1.003 326 E CA 1.458 57.835 56.400 -0.038 0.000 0.809 326 E CB -0.749 28.943 29.700 -0.014 0.000 0.755 326 E HN 0.651 nan 8.360 nan 0.000 0.449 331 K N -0.184 120.193 120.400 -0.037 0.000 2.155 331 K HA 0.288 4.607 4.320 -0.001 0.000 0.203 331 K C 0.577 177.191 176.600 0.023 0.000 1.052 331 K CA 1.430 57.714 56.287 -0.006 0.000 0.948 331 K CB 0.299 32.794 32.500 -0.009 0.000 0.728 331 K HN 0.477 nan 8.250 nan 0.000 0.448 332 I N 2.021 122.601 120.570 0.017 0.000 2.782 332 I HA 0.206 4.376 4.170 -0.001 0.000 0.279 332 I C -2.663 173.459 176.117 0.009 0.000 1.247 332 I CA -2.178 59.145 61.300 0.039 0.000 1.062 332 I CB 1.270 39.331 38.000 0.101 0.000 1.421 332 I HN -0.238 nan 8.210 nan 0.000 0.558 333 P HA 0.297 nan 4.420 nan 0.000 0.271 333 P C -0.681 176.615 177.300 -0.006 0.000 1.218 333 P CA 0.125 63.219 63.100 -0.010 0.000 0.780 333 P CB 0.834 32.524 31.700 -0.018 0.000 0.901 334 L N 1.666 122.890 121.223 0.002 0.000 2.333 334 L HA 0.642 4.982 4.340 -0.001 0.000 0.263 334 L C 0.293 177.165 176.870 0.005 0.000 1.014 334 L CA -0.774 54.070 54.840 0.008 0.000 0.820 334 L CB 2.147 44.217 42.059 0.019 0.000 1.352 334 L HN 0.436 nan 8.230 nan 0.000 0.421 335 E N 1.501 121.702 120.200 0.002 0.000 2.331 335 E HA 0.542 4.891 4.350 -0.001 0.000 0.275 335 E C -1.832 174.746 176.600 -0.037 0.000 0.895 335 E CA -0.909 55.481 56.400 -0.016 0.000 0.753 335 E CB 2.727 32.418 29.700 -0.015 0.000 1.216 335 E HN 0.311 nan 8.360 nan 0.000 0.434 336 L N 3.171 124.363 121.223 -0.053 0.000 2.280 336 L HA 0.448 4.787 4.340 -0.001 0.000 0.287 336 L C -1.260 175.527 176.870 -0.138 0.000 1.023 336 L CA -0.556 54.240 54.840 -0.074 0.000 0.819 336 L CB 1.111 43.144 42.059 -0.043 0.000 1.212 336 L HN 0.571 nan 8.230 nan 0.000 0.420 337 N N 6.684 125.246 118.700 -0.230 0.000 2.558 337 N HA 0.288 5.027 4.740 -0.001 0.000 0.233 337 N C -0.789 174.622 175.510 -0.164 0.000 1.038 337 N CA -0.292 52.561 53.050 -0.329 0.000 0.934 337 N CB 1.182 39.085 38.487 -0.974 0.000 1.175 337 N HN 0.587 nan 8.380 nan 0.000 0.512 338 L N 2.470 123.621 121.223 -0.120 0.000 2.416 338 L HA 0.178 4.517 4.340 -0.001 0.000 0.272 338 L C 0.913 177.782 176.870 -0.000 0.000 1.161 338 L CA -0.079 54.669 54.840 -0.152 0.000 0.845 338 L CB 0.117 42.108 42.059 -0.114 0.000 1.119 338 L HN 0.531 nan 8.230 nan 0.000 0.464 339 F N -1.693 118.290 119.950 0.056 0.000 2.856 339 F HA 0.519 5.045 4.527 -0.001 0.000 0.338 339 F C -0.146 175.735 175.800 0.135 0.000 1.100 339 F CA -0.704 57.349 58.000 0.088 0.000 1.150 339 F CB 0.293 39.334 39.000 0.069 0.000 1.101 339 F HN 0.260 nan 8.300 nan 0.000 0.548 340 D N 0.322 120.797 120.400 0.124 0.000 2.609 340 D HA 0.467 5.106 4.640 -0.001 0.000 0.239 340 D C -1.612 174.690 176.300 0.004 0.000 1.229 340 D CA -0.300 53.823 54.000 0.204 0.000 0.808 340 D CB 3.417 44.513 40.800 0.494 0.000 1.448 340 D HN -0.063 nan 8.370 nan 0.000 0.433 341 V N 3.382 123.288 119.914 -0.014 0.000 2.525 341 V HA 0.407 4.526 4.120 -0.001 0.000 0.299 341 V C -0.167 175.868 176.094 -0.099 0.000 1.034 341 V CA -0.404 61.851 62.300 -0.074 0.000 0.863 341 V CB 1.333 33.113 31.823 -0.071 0.000 0.999 341 V HN 0.581 nan 8.190 nan 0.000 0.423 342 L N 6.402 127.538 121.223 -0.145 0.000 2.664 342 L HA 0.504 4.843 4.340 -0.001 0.000 0.233 342 L C -0.257 176.598 176.870 -0.025 0.000 1.113 342 L CA 0.088 54.822 54.840 -0.178 0.000 0.896 342 L CB 0.330 42.178 42.059 -0.351 0.000 1.163 342 L HN 0.715 nan 8.230 nan 0.000 0.497 343 Y N -0.405 119.785 120.300 -0.182 0.000 2.465 343 Y HA 0.526 5.075 4.550 -0.001 0.000 0.323 343 Y C -1.899 173.924 175.900 -0.129 0.000 1.191 343 Y CA -1.046 56.965 58.100 -0.149 0.000 1.082 343 Y CB 1.461 39.812 38.460 -0.181 0.000 1.334 343 Y HN -0.343 nan 8.280 nan 0.000 0.449 344 V N 5.271 124.854 119.914 -0.551 0.000 2.655 344 V HA 0.290 4.409 4.120 -0.001 0.000 0.301 344 V C -1.148 174.628 176.094 -0.530 0.000 1.082 344 V CA -1.117 60.962 62.300 -0.368 0.000 0.899 344 V CB 1.756 33.457 31.823 -0.204 0.000 1.014 344 V HN 0.900 nan 8.190 nan 0.000 0.429 345 D N 4.303 124.493 120.400 -0.350 0.000 2.810 345 D HA -0.181 4.459 4.640 -0.001 0.000 0.224 345 D C 1.335 177.437 176.300 -0.329 0.000 1.222 345 D CA 1.955 55.813 54.000 -0.237 0.000 0.698 345 D CB -0.748 39.967 40.800 -0.141 0.000 0.961 345 D HN 1.532 nan 8.370 nan 0.000 0.403 346 G N 0.439 108.953 108.800 -0.477 0.000 2.184 346 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.264 346 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.264 346 G C 0.251 174.937 174.900 -0.357 0.000 0.975 346 G CA 0.670 45.629 45.100 -0.235 0.000 0.642 346 G HN 0.609 nan 8.290 nan 0.000 0.536 347 Q N 0.666 120.055 119.800 -0.686 0.000 2.348 347 Q HA 0.597 4.937 4.340 -0.001 0.000 0.265 347 Q C 0.221 176.002 176.000 -0.364 0.000 0.998 347 Q CA -0.150 55.428 55.803 -0.376 0.000 0.831 347 Q CB 1.214 29.788 28.738 -0.273 0.000 1.251 347 Q HN 0.353 nan 8.270 nan 0.000 0.456 348 S N 3.881 119.547 115.700 -0.058 0.000 2.548 348 S HA 0.244 4.713 4.470 -0.001 0.000 0.277 348 S C 0.451 175.046 174.600 -0.008 0.000 1.315 348 S CA -0.342 57.903 58.200 0.074 0.000 1.050 348 S CB 0.377 63.644 63.200 0.111 0.000 0.918 348 S HN 0.779 nan 8.310 nan 0.000 0.497 349 L N 5.423 126.641 121.223 -0.008 0.000 2.808 349 L HA 0.229 4.569 4.340 -0.001 0.000 0.246 349 L C 1.374 178.257 176.870 0.021 0.000 1.153 349 L CA -0.287 54.544 54.840 -0.015 0.000 0.956 349 L CB -0.095 41.939 42.059 -0.042 0.000 1.270 349 L HN 0.638 nan 8.230 nan 0.000 0.528 350 I N 0.757 121.343 120.570 0.027 0.000 2.208 350 I HA -0.259 3.911 4.170 -0.001 0.000 0.245 350 I C 1.310 177.496 176.117 0.115 0.000 1.097 350 I CA 1.693 63.041 61.300 0.078 0.000 1.363 350 I CB -0.413 37.630 38.000 0.072 0.000 1.051 350 I HN 0.315 nan 8.210 nan 0.000 0.413 351 D N 0.600 121.045 120.400 0.075 0.000 2.336 351 D HA 0.061 4.700 4.640 -0.001 0.000 0.228 351 D C 0.356 176.694 176.300 0.063 0.000 1.120 351 D CA 0.246 54.288 54.000 0.069 0.000 0.839 351 D CB 0.309 41.138 40.800 0.050 0.000 0.932 351 D HN 0.187 nan 8.370 nan 0.000 0.509 352 T N 0.959 115.553 114.554 0.067 0.000 2.837 352 T HA 0.192 4.542 4.350 -0.001 0.000 0.285 352 T C 0.557 175.309 174.700 0.087 0.000 0.984 352 T CA -0.642 61.490 62.100 0.053 0.000 1.049 352 T CB 1.855 70.735 68.868 0.020 0.000 0.947 352 T HN -0.120 nan 8.240 nan 0.000 0.472 353 K N 1.988 122.435 120.400 0.079 0.000 2.485 353 K HA 0.024 4.344 4.320 -0.001 0.000 0.277 353 K C 0.904 177.588 176.600 0.140 0.000 0.990 353 K CA -0.149 56.211 56.287 0.122 0.000 0.994 353 K CB 0.309 32.867 32.500 0.097 0.000 0.906 353 K HN 0.555 nan 8.250 nan 0.000 0.488 354 F N 3.125 123.144 119.950 0.115 0.000 2.087 354 F HA -0.303 4.223 4.527 -0.001 0.000 0.299 354 F C 1.835 177.691 175.800 0.094 0.000 1.100 354 F CA 1.611 59.696 58.000 0.141 0.000 1.226 354 F CB -0.156 38.942 39.000 0.164 0.000 0.983 354 F HN 0.594 nan 8.300 nan 0.000 0.479 355 I N 0.889 121.486 120.570 0.044 0.000 2.264 355 I HA -0.294 3.875 4.170 -0.001 0.000 0.248 355 I C 1.929 177.946 176.117 -0.167 0.000 1.111 355 I CA 1.794 63.056 61.300 -0.064 0.000 1.382 355 I CB -0.923 37.129 38.000 0.087 0.000 1.060 355 I HN 0.138 nan 8.210 nan 0.000 0.418 356 D N 0.103 120.441 120.400 -0.103 0.000 2.149 356 D HA -0.099 4.540 4.640 -0.001 0.000 0.201 356 D C 2.371 178.583 176.300 -0.146 0.000 0.972 356 D CA 0.880 54.824 54.000 -0.093 0.000 0.835 356 D CB -0.069 40.705 40.800 -0.044 0.000 0.966 356 D HN 0.387 nan 8.370 nan 0.000 0.476 357 R N 0.257 120.639 120.500 -0.197 0.000 2.075 357 R HA -0.011 4.329 4.340 -0.001 0.000 0.232 357 R C 2.375 178.504 176.300 -0.285 0.000 1.126 357 R CA 0.615 56.595 56.100 -0.199 0.000 0.963 357 R CB -0.146 30.071 30.300 -0.138 0.000 0.858 357 R HN 0.103 nan 8.270 nan 0.000 0.435 358 R N 1.011 121.193 120.500 -0.531 0.000 2.075 358 R HA -0.051 4.288 4.340 -0.001 0.000 0.232 358 R C 2.283 178.473 176.300 -0.183 0.000 1.126 358 R CA 1.138 56.999 56.100 -0.399 0.000 0.963 358 R CB -0.012 29.987 30.300 -0.503 0.000 0.858 358 R HN 0.151 nan 8.270 nan 0.000 0.435 359 R N -0.625 119.779 120.500 -0.161 0.000 2.105 359 R HA -0.095 4.244 4.340 -0.001 0.000 0.239 359 R C 2.099 178.353 176.300 -0.077 0.000 1.135 359 R CA 1.933 57.980 56.100 -0.088 0.000 0.967 359 R CB -0.370 29.888 30.300 -0.070 0.000 0.861 359 R HN 0.275 nan 8.270 nan 0.000 0.442 360 T N 1.749 116.247 114.554 -0.093 0.000 2.777 360 T HA -0.128 4.222 4.350 -0.001 0.000 0.266 360 T C 1.748 176.407 174.700 -0.069 0.000 1.040 360 T CA 0.918 62.972 62.100 -0.078 0.000 1.141 360 T CB -0.211 68.606 68.868 -0.085 0.000 0.868 360 T HN 0.084 nan 8.240 nan 0.000 0.444 361 L N 1.567 122.743 121.223 -0.077 0.000 2.012 361 L HA -0.089 4.251 4.340 -0.001 0.000 0.210 361 L C 2.294 179.141 176.870 -0.038 0.000 1.073 361 L CA 1.847 56.654 54.840 -0.055 0.000 0.748 361 L CB -0.631 41.401 42.059 -0.045 0.000 0.891 361 L HN 0.267 nan 8.230 nan 0.000 0.431 362 E N -0.939 119.240 120.200 -0.035 0.000 2.153 362 E HA -0.278 4.071 4.350 -0.001 0.000 0.194 362 E C 1.988 178.574 176.600 -0.024 0.000 0.988 362 E CA 1.211 57.599 56.400 -0.020 0.000 0.811 362 E CB -0.026 29.664 29.700 -0.015 0.000 0.746 362 E HN 0.541 nan 8.360 nan 0.000 0.466 363 E N 0.774 120.955 120.200 -0.033 0.000 2.112 363 E HA -0.107 4.242 4.350 -0.001 0.000 0.190 363 E C 1.630 178.211 176.600 -0.032 0.000 0.979 363 E CA 0.729 57.110 56.400 -0.031 0.000 0.814 363 E CB 0.088 29.766 29.700 -0.037 0.000 0.762 363 E HN 0.086 nan 8.360 nan 0.000 0.460 364 I N 1.045 121.592 120.570 -0.038 0.000 3.428 364 I HA 0.043 4.212 4.170 -0.001 0.000 0.286 364 I C 0.188 176.286 176.117 -0.033 0.000 1.287 364 I CA 0.290 61.567 61.300 -0.038 0.000 1.396 364 I CB -0.397 37.575 38.000 -0.048 0.000 1.062 364 I HN 0.096 nan 8.210 nan 0.000 0.471 365 I N 2.775 123.328 120.570 -0.029 0.000 2.330 365 I HA 0.157 4.326 4.170 -0.001 0.000 0.289 365 I C 0.539 176.644 176.117 -0.019 0.000 1.001 365 I CA -0.577 60.707 61.300 -0.026 0.000 1.193 365 I CB 1.081 39.065 38.000 -0.026 0.000 1.345 365 I HN 0.135 nan 8.210 nan 0.000 0.461 366 K N 6.592 126.981 120.400 -0.018 0.000 2.266 366 K HA 0.412 4.731 4.320 -0.001 0.000 0.274 366 K C -0.301 176.292 176.600 -0.013 0.000 1.090 366 K CA -0.622 55.657 56.287 -0.014 0.000 0.925 366 K CB 0.930 33.422 32.500 -0.014 0.000 1.225 366 K HN 0.484 nan 8.250 nan 0.000 0.458 367 Q N 2.631 122.425 119.800 -0.010 0.000 2.395 367 Q HA -0.009 4.330 4.340 -0.001 0.000 0.271 367 Q C -0.197 175.799 176.000 -0.007 0.000 1.026 367 Q CA 0.378 56.176 55.803 -0.009 0.000 0.900 367 Q CB 0.494 29.230 28.738 -0.003 0.000 1.266 367 Q HN 0.803 nan 8.270 nan 0.000 0.430 368 N N -0.951 117.744 118.700 -0.009 0.000 3.343 368 N HA 0.034 4.774 4.740 -0.001 0.000 0.330 368 N C 0.247 175.754 175.510 -0.006 0.000 1.560 368 N CA -0.732 52.313 53.050 -0.007 0.000 0.752 368 N CB 0.193 38.675 38.487 -0.009 0.000 1.863 368 N HN 0.580 nan 8.380 nan 0.000 0.636 369 E N -0.538 119.659 120.200 -0.005 0.000 2.118 369 E HA -0.190 4.160 4.350 -0.001 0.000 0.195 369 E C 0.609 177.206 176.600 -0.005 0.000 0.992 369 E CA 1.375 57.774 56.400 -0.003 0.000 0.804 369 E CB 0.127 29.825 29.700 -0.003 0.000 0.741 369 E HN 0.369 nan 8.360 nan 0.000 0.458 370 K N -0.260 120.135 120.400 -0.009 0.000 2.276 370 K HA 0.134 4.454 4.320 -0.001 0.000 0.198 370 K C 0.466 177.053 176.600 -0.022 0.000 1.052 370 K CA 0.185 56.465 56.287 -0.012 0.000 0.984 370 K CB 0.654 33.149 32.500 -0.009 0.000 0.836 370 K HN 0.140 nan 8.250 nan 0.000 0.490 371 I N 3.076 123.632 120.570 -0.023 0.000 2.312 371 I HA 0.222 4.391 4.170 -0.001 0.000 0.290 371 I C 0.122 176.219 176.117 -0.034 0.000 1.008 371 I CA -0.588 60.691 61.300 -0.034 0.000 1.226 371 I CB 0.972 38.953 38.000 -0.031 0.000 1.371 371 I HN -0.144 nan 8.210 nan 0.000 0.468 372 K N 4.972 125.342 120.400 -0.050 0.000 2.352 372 K HA 0.704 5.024 4.320 -0.001 0.000 0.240 372 K C -0.934 175.644 176.600 -0.036 0.000 1.017 372 K CA -0.919 55.346 56.287 -0.037 0.000 0.851 372 K CB 2.711 35.184 32.500 -0.044 0.000 1.261 372 K HN 0.173 nan 8.250 nan 0.000 0.451 373 V N 1.315 121.229 119.914 0.001 0.000 2.417 373 V HA 0.298 4.417 4.120 -0.001 0.000 0.291 373 V C 0.050 176.195 176.094 0.084 0.000 1.024 373 V CA -1.137 61.182 62.300 0.030 0.000 0.861 373 V CB 1.315 33.160 31.823 0.036 0.000 0.985 373 V HN 0.893 nan 8.190 nan 0.000 0.436 374 A N 4.825 127.728 122.820 0.139 0.000 2.584 374 A HA 0.079 4.399 4.320 -0.001 0.000 0.239 374 A C 0.594 178.357 177.584 0.298 0.000 1.043 374 A CA 0.205 52.424 52.037 0.304 0.000 0.756 374 A CB -0.135 19.130 19.000 0.441 0.000 0.963 374 A HN 0.803 nan 8.150 nan 0.000 0.511 375 E N 1.384 121.801 120.200 0.361 0.000 2.414 375 E HA 0.090 4.439 4.350 -0.001 0.000 0.263 375 E C 0.227 177.041 176.600 0.355 0.000 1.000 375 E CA 0.455 57.033 56.400 0.297 0.000 0.914 375 E CB 0.516 30.419 29.700 0.339 0.000 0.948 375 E HN 0.875 nan 8.360 nan 0.000 0.444 376 N N 1.492 120.309 118.700 0.195 0.000 2.761 376 N HA 0.686 5.426 4.740 -0.001 0.000 0.283 376 N C -1.544 173.918 175.510 -0.080 0.000 1.377 376 N CA -0.857 52.313 53.050 0.199 0.000 0.791 376 N CB 1.390 39.996 38.487 0.199 0.000 1.540 376 N HN 0.217 nan 8.380 nan 0.000 0.539 377 L N 0.276 121.522 121.223 0.038 0.000 2.676 377 L HA 0.535 4.875 4.340 -0.001 0.000 0.262 377 L C -2.103 174.868 176.870 0.168 0.000 0.932 377 L CA -0.347 54.463 54.840 -0.050 0.000 0.932 377 L CB 1.607 43.493 42.059 -0.288 0.000 1.355 377 L HN 0.703 nan 8.230 nan 0.000 0.421 378 I N 4.284 124.924 120.570 0.116 0.000 2.339 378 I HA 0.663 4.832 4.170 -0.001 0.000 0.290 378 I C -0.036 176.165 176.117 0.139 0.000 0.994 378 I CA -0.243 61.146 61.300 0.149 0.000 1.191 378 I CB 1.835 39.898 38.000 0.106 0.000 1.343 378 I HN 0.736 nan 8.210 nan 0.000 0.458 379 T N 4.365 119.044 114.554 0.208 0.000 2.821 379 T HA 0.369 4.718 4.350 -0.001 0.000 0.306 379 T C -0.064 174.737 174.700 0.168 0.000 1.313 379 T CA -0.572 61.618 62.100 0.150 0.000 1.012 379 T CB 1.732 70.660 68.868 0.100 0.000 1.298 379 T HN 0.641 nan 8.240 nan 0.000 0.502 380 K N 0.579 121.039 120.400 0.100 0.000 2.402 380 K HA 0.275 4.594 4.320 -0.001 0.000 0.204 380 K C -0.140 176.496 176.600 0.059 0.000 1.056 380 K CA -0.051 56.287 56.287 0.085 0.000 1.069 380 K CB 0.634 33.166 32.500 0.054 0.000 0.888 380 K HN 0.260 nan 8.250 nan 0.000 0.546 381 K N 1.645 122.069 120.400 0.040 0.000 2.281 381 K HA 0.166 4.485 4.320 -0.001 0.000 0.272 381 K C 0.935 177.518 176.600 -0.028 0.000 1.048 381 K CA -0.302 55.988 56.287 0.005 0.000 0.898 381 K CB 1.903 34.400 32.500 -0.006 0.000 1.128 381 K HN -0.212 nan 8.250 nan 0.000 0.460 382 V N 2.930 122.828 119.914 -0.027 0.000 2.324 382 V HA -0.314 3.805 4.120 -0.001 0.000 0.250 382 V C 1.531 177.570 176.094 -0.093 0.000 1.060 382 V CA 1.964 64.225 62.300 -0.065 0.000 1.042 382 V CB -0.465 31.334 31.823 -0.040 0.000 0.650 382 V HN 0.734 nan 8.190 nan 0.000 0.450 383 E N 0.143 120.308 120.200 -0.057 0.000 2.153 383 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 383 E C 2.041 178.608 176.600 -0.055 0.000 0.988 383 E CA 1.285 57.656 56.400 -0.048 0.000 0.811 383 E CB -0.331 29.352 29.700 -0.028 0.000 0.746 383 E HN 0.684 nan 8.360 nan 0.000 0.466 384 E N 0.504 120.663 120.200 -0.067 0.000 2.072 384 E HA -0.059 4.290 4.350 -0.001 0.000 0.190 384 E C 2.093 178.633 176.600 -0.100 0.000 0.982 384 E CA 0.894 57.254 56.400 -0.067 0.000 0.803 384 E CB -0.143 29.521 29.700 -0.061 0.000 0.755 384 E HN 0.321 nan 8.360 nan 0.000 0.453 385 A N 1.382 124.061 122.820 -0.236 0.000 1.969 385 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 385 A C 1.857 179.300 177.584 -0.234 0.000 1.169 385 A CA 1.148 52.905 52.037 -0.468 0.000 0.635 385 A CB -0.284 17.952 19.000 -1.274 0.000 0.810 385 A HN 0.139 nan 8.150 nan 0.000 0.445 386 E N -0.231 119.877 120.200 -0.153 0.000 2.150 386 E HA -0.068 4.281 4.350 -0.001 0.000 0.193 386 E C 2.247 178.889 176.600 0.071 0.000 0.985 386 E CA 0.814 57.191 56.400 -0.040 0.000 0.814 386 E CB -0.220 29.452 29.700 -0.047 0.000 0.752 386 E HN 0.628 nan 8.360 nan 0.000 0.466 387 A N 0.983 123.830 122.820 0.045 0.000 1.930 387 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 387 A C 1.915 179.586 177.584 0.145 0.000 1.175 387 A CA 0.779 52.857 52.037 0.070 0.000 0.627 387 A CB -0.520 18.502 19.000 0.037 0.000 0.815 387 A HN 0.293 nan 8.150 nan 0.000 0.443 388 F N -0.492 119.429 119.950 -0.048 0.000 2.146 388 F HA -0.146 4.380 4.527 -0.001 0.000 0.298 388 F C 2.062 177.859 175.800 -0.005 0.000 1.096 388 F CA 1.144 59.121 58.000 -0.039 0.000 1.275 388 F CB -1.028 37.928 39.000 -0.073 0.000 1.008 388 F HN 0.418 nan 8.300 nan 0.000 0.480 389 Y N 1.367 121.596 120.300 -0.120 0.000 2.128 389 Y HA -0.246 4.304 4.550 0.000 0.000 0.284 389 Y C 2.673 178.493 175.900 -0.133 0.000 1.154 389 Y CA 2.686 60.657 58.100 -0.214 0.000 1.149 389 Y CB -0.745 37.614 38.460 -0.168 0.000 0.976 389 Y HN 0.145 nan 8.280 nan 0.000 0.505 390 K N -0.057 120.309 120.400 -0.057 0.000 2.063 390 K HA -0.292 4.028 4.320 -0.001 0.000 0.208 390 K C 2.380 178.890 176.600 -0.150 0.000 1.048 390 K CA 1.804 58.007 56.287 -0.140 0.000 0.928 390 K CB -0.251 32.244 32.500 -0.008 0.000 0.713 390 K HN 0.198 nan 8.250 nan 0.000 0.442 391 R N 0.537 121.003 120.500 -0.058 0.000 2.081 391 R HA -0.034 4.305 4.340 -0.001 0.000 0.235 391 R C 2.008 178.261 176.300 -0.077 0.000 1.131 391 R CA 1.706 57.794 56.100 -0.021 0.000 0.960 391 R CB -0.723 29.634 30.300 0.096 0.000 0.856 391 R HN 0.320 nan 8.270 nan 0.000 0.436 392 A N 0.569 123.285 122.820 -0.172 0.000 1.908 392 A HA -0.143 4.177 4.320 -0.001 0.000 0.218 392 A C 2.221 179.691 177.584 -0.190 0.000 1.181 392 A CA 1.678 53.591 52.037 -0.207 0.000 0.627 392 A CB -0.677 18.075 19.000 -0.414 0.000 0.818 392 A HN 0.367 nan 8.150 nan 0.000 0.445 393 L N -0.540 120.498 121.223 -0.309 0.000 2.056 393 L HA -0.098 4.241 4.340 -0.001 0.000 0.207 393 L C 1.352 178.110 176.870 -0.186 0.000 1.078 393 L CA 0.583 55.255 54.840 -0.280 0.000 0.749 393 L CB -0.657 41.166 42.059 -0.393 0.000 0.901 393 L HN 0.471 nan 8.230 nan 0.000 0.433 397 H N 0.623 119.631 119.070 -0.104 0.000 2.437 397 H HA 0.347 4.903 4.556 0.000 0.000 0.338 397 H C 0.945 176.185 175.328 -0.145 0.000 1.495 397 H CA 0.093 56.066 56.048 -0.125 0.000 1.453 397 H CB 0.991 30.617 29.762 -0.227 0.000 1.707 397 H HN 0.199 nan 8.280 nan 0.000 0.655 398 E N 0.031 120.238 120.200 0.012 0.000 2.216 398 E HA 0.154 4.503 4.350 -0.001 0.000 0.192 398 E C 0.811 177.363 176.600 -0.079 0.000 0.988 398 E CA 0.539 56.914 56.400 -0.041 0.000 0.834 398 E CB 0.583 30.266 29.700 -0.028 0.000 0.772 398 E HN 0.765 nan 8.360 nan 0.000 0.479 399 G N 0.047 108.768 108.800 -0.131 0.000 2.366 399 G HA2 0.129 4.088 3.960 -0.001 0.000 0.190 399 G HA3 0.129 4.088 3.960 -0.001 0.000 0.190 399 G C -1.387 173.447 174.900 -0.110 0.000 1.299 399 G CA -0.912 44.135 45.100 -0.088 0.000 1.056 399 G HN 0.005 nan 8.290 nan 0.000 0.468 403 K N 1.931 121.933 120.400 -0.663 0.000 2.443 403 K HA 0.497 4.816 4.320 -0.001 0.000 0.252 403 K C -0.623 175.679 176.600 -0.496 0.000 0.933 403 K CA -0.936 54.969 56.287 -0.638 0.000 0.792 403 K CB 2.294 34.070 32.500 -1.207 0.000 1.185 403 K HN 0.685 nan 8.250 nan 0.000 0.425 404 R N 2.818 123.173 120.500 -0.241 0.000 2.484 404 R HA 0.037 4.377 4.340 -0.001 0.000 0.293 404 R C 1.089 177.357 176.300 -0.053 0.000 1.023 404 R CA 0.067 56.096 56.100 -0.119 0.000 1.037 404 R CB 0.271 30.556 30.300 -0.025 0.000 0.951 404 R HN 0.643 nan 8.270 nan 0.000 0.418 405 L N 1.778 123.015 121.223 0.023 0.000 2.131 405 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 405 L C 1.580 178.587 176.870 0.228 0.000 1.092 405 L CA 1.432 56.390 54.840 0.197 0.000 0.759 405 L CB -0.306 41.834 42.059 0.136 0.000 0.903 405 L HN 0.642 nan 8.230 nan 0.000 0.435 406 D N -0.436 120.047 120.400 0.138 0.000 2.340 406 D HA 0.078 4.717 4.640 -0.001 0.000 0.217 406 D C 0.687 177.066 176.300 0.132 0.000 1.081 406 D CA -0.057 54.017 54.000 0.124 0.000 0.842 406 D CB 0.058 40.904 40.800 0.076 0.000 0.934 406 D HN 0.090 nan 8.370 nan 0.000 0.511 407 A N 0.847 123.765 122.820 0.163 0.000 2.388 407 A HA 0.527 4.847 4.320 -0.001 0.000 0.257 407 A C 0.770 178.469 177.584 0.192 0.000 1.095 407 A CA -0.426 51.697 52.037 0.143 0.000 0.791 407 A CB 0.689 19.758 19.000 0.114 0.000 1.029 407 A HN 0.277 nan 8.150 nan 0.000 0.489 408 V N 0.498 120.489 119.914 0.127 0.000 3.441 408 V HA 0.461 4.580 4.120 -0.001 0.000 0.300 408 V C 0.117 176.306 176.094 0.159 0.000 1.062 408 V CA -0.759 61.630 62.300 0.148 0.000 1.064 408 V CB 0.336 32.216 31.823 0.096 0.000 1.197 408 V HN 0.742 nan 8.190 nan 0.000 0.451 409 Y N 0.595 120.930 120.300 0.058 0.000 2.304 409 Y HA 0.438 4.987 4.550 -0.001 0.000 0.328 409 Y C 0.513 176.372 175.900 -0.068 0.000 1.123 409 Y CA -0.180 57.922 58.100 0.004 0.000 1.218 409 Y CB 0.987 39.475 38.460 0.046 0.000 1.207 409 Y HN 0.793 nan 8.280 nan 0.000 0.495 410 E N 7.811 127.725 120.200 -0.477 0.000 2.489 410 E HA 0.249 4.598 4.350 -0.001 0.000 0.232 410 E C -2.602 173.797 176.600 -0.336 0.000 0.990 410 E CA -2.224 54.003 56.400 -0.290 0.000 0.768 410 E CB 0.724 30.250 29.700 -0.290 0.000 1.270 410 E HN 0.468 nan 8.360 nan 0.000 0.423 411 P HA -0.089 nan 4.420 nan 0.000 0.260 411 P C 0.946 178.199 177.300 -0.077 0.000 1.172 411 P CA 1.033 64.130 63.100 -0.005 0.000 0.760 411 P CB 0.529 32.275 31.700 0.077 0.000 0.773 412 G N 1.947 110.694 108.800 -0.087 0.000 2.189 412 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.267 412 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.267 412 G C 0.422 175.275 174.900 -0.079 0.000 0.975 412 G CA 0.164 45.229 45.100 -0.057 0.000 0.644 412 G HN 0.667 nan 8.290 nan 0.000 0.537 413 N N -0.174 118.433 118.700 -0.155 0.000 2.479 413 N HA 0.491 5.230 4.740 -0.001 0.000 0.285 413 N C 0.201 175.605 175.510 -0.176 0.000 1.075 413 N CA -0.713 52.249 53.050 -0.147 0.000 0.967 413 N CB 0.549 38.938 38.487 -0.165 0.000 1.137 413 N HN 0.290 nan 8.380 nan 0.000 0.472 414 R N 2.683 123.118 120.500 -0.107 0.000 2.937 414 R HA 0.412 4.752 4.340 -0.001 0.000 0.264 414 R C 0.036 176.286 176.300 -0.083 0.000 1.334 414 R CA -0.549 55.496 56.100 -0.091 0.000 1.516 414 R CB -0.394 29.881 30.300 -0.041 0.000 1.187 414 R HN 0.712 nan 8.270 nan 0.000 0.609 415 G N 0.877 109.605 108.800 -0.120 0.000 2.736 415 G HA2 0.177 4.136 3.960 -0.001 0.000 0.229 415 G HA3 0.177 4.136 3.960 -0.001 0.000 0.229 415 G C -0.142 174.721 174.900 -0.061 0.000 1.380 415 G CA -0.524 44.522 45.100 -0.090 0.000 1.040 415 G HN 0.430 nan 8.290 nan 0.000 0.568 416 K N -0.267 120.104 120.400 -0.048 0.000 2.373 416 K HA 0.143 4.462 4.320 -0.001 0.000 0.202 416 K C 1.560 178.151 176.600 -0.015 0.000 1.025 416 K CA -0.288 55.984 56.287 -0.025 0.000 1.115 416 K CB 0.635 33.122 32.500 -0.022 0.000 0.858 416 K HN 0.070 nan 8.250 nan 0.000 0.525 417 K N -0.046 120.339 120.400 -0.026 0.000 2.288 417 K HA -0.030 4.289 4.320 -0.001 0.000 0.201 417 K C -0.028 176.684 176.600 0.186 0.000 1.048 417 K CA 0.716 57.013 56.287 0.016 0.000 0.956 417 K CB 0.171 32.644 32.500 -0.045 0.000 0.746 417 K HN 0.076 nan 8.250 nan 0.000 0.461 418 W N 0.754 121.950 121.300 -0.174 0.000 2.739 418 W HA 0.490 5.149 4.660 -0.001 0.000 0.331 418 W C -0.569 175.850 176.519 -0.166 0.000 1.049 418 W CA -0.969 56.252 57.345 -0.207 0.000 1.234 418 W CB 0.747 30.090 29.460 -0.195 0.000 1.404 418 W HN -0.254 nan 8.180 nan 0.000 0.477 419 L N 2.882 124.117 121.223 0.021 0.000 2.388 419 L HA 0.547 4.886 4.340 -0.001 0.000 0.264 419 L C -0.170 176.671 176.870 -0.049 0.000 0.998 419 L CA -1.202 53.629 54.840 -0.016 0.000 0.817 419 L CB 2.374 44.405 42.059 -0.046 0.000 1.338 419 L HN 0.186 nan 8.230 nan 0.000 0.414 420 K N 2.642 123.028 120.400 -0.024 0.000 2.182 420 K HA 0.698 5.017 4.320 -0.001 0.000 0.262 420 K C -1.326 175.264 176.600 -0.017 0.000 0.957 420 K CA -0.562 55.707 56.287 -0.031 0.000 0.842 420 K CB 2.131 34.621 32.500 -0.015 0.000 1.099 420 K HN 0.275 nan 8.250 nan 0.000 0.438 421 I N 2.856 123.425 120.570 -0.003 0.000 2.439 421 I HA 0.317 4.487 4.170 -0.001 0.000 0.285 421 I C -0.646 175.538 176.117 0.112 0.000 1.021 421 I CA -0.392 60.900 61.300 -0.014 0.000 1.091 421 I CB 1.523 39.460 38.000 -0.105 0.000 1.242 421 I HN 0.405 nan 8.210 nan 0.000 0.439 422 K N 6.418 126.882 120.400 0.106 0.000 2.480 422 K HA 0.563 4.882 4.320 -0.001 0.000 0.258 422 K C -1.984 174.726 176.600 0.184 0.000 0.990 422 K CA -1.392 55.001 56.287 0.177 0.000 0.857 422 K CB 2.001 34.541 32.500 0.066 0.000 1.384 422 K HN 0.203 nan 8.250 nan 0.000 0.446 423 P HA -0.063 nan 4.420 nan 0.000 0.236 423 P C -0.094 177.235 177.300 0.049 0.000 1.177 423 P CA 0.801 63.980 63.100 0.131 0.000 0.773 423 P CB 0.294 32.039 31.700 0.075 0.000 0.878 427 N N 1.512 120.235 118.700 0.038 0.000 2.415 427 N HA 0.216 4.955 4.740 -0.001 0.000 0.248 427 N C -0.689 174.923 175.510 0.170 0.000 1.271 427 N CA 0.010 53.115 53.050 0.091 0.000 0.913 427 N CB 0.297 38.785 38.487 0.001 0.000 1.129 427 N HN 0.249 nan 8.380 nan 0.000 0.444 428 L N 1.301 122.664 121.223 0.233 0.000 2.322 428 L HA 0.299 4.638 4.340 -0.001 0.000 0.279 428 L C -0.157 176.766 176.870 0.089 0.000 1.036 428 L CA -0.281 54.638 54.840 0.132 0.000 0.807 428 L CB 0.866 42.976 42.059 0.085 0.000 1.226 428 L HN 0.339 nan 8.230 nan 0.000 0.433 429 D N 4.218 124.661 120.400 0.072 0.000 2.427 429 D HA 0.594 5.234 4.640 -0.001 0.000 0.226 429 D C -0.439 175.917 176.300 0.093 0.000 1.076 429 D CA 0.019 54.065 54.000 0.077 0.000 0.849 429 D CB 1.143 41.984 40.800 0.068 0.000 1.052 429 D HN 0.231 nan 8.370 nan 0.000 0.515 430 L N 0.617 121.899 121.223 0.098 0.000 2.309 430 L HA 0.575 4.914 4.340 -0.001 0.000 0.261 430 L C -0.265 176.664 176.870 0.098 0.000 1.021 430 L CA -1.401 53.505 54.840 0.111 0.000 0.823 430 L CB 2.008 44.123 42.059 0.094 0.000 1.366 430 L HN -0.053 nan 8.230 nan 0.000 0.423 431 V N 1.812 121.791 119.914 0.109 0.000 2.465 431 V HA 0.286 4.405 4.120 -0.001 0.000 0.279 431 V C 0.253 176.336 176.094 -0.019 0.000 1.045 431 V CA -0.382 61.926 62.300 0.012 0.000 0.938 431 V CB 1.452 33.218 31.823 -0.095 0.000 0.986 431 V HN 0.424 nan 8.190 nan 0.000 0.467 432 I N 6.153 126.689 120.570 -0.057 0.000 2.406 432 I HA 0.136 4.306 4.170 -0.001 0.000 0.293 432 I C 1.146 177.203 176.117 -0.100 0.000 1.101 432 I CA 0.266 61.524 61.300 -0.070 0.000 1.334 432 I CB 0.477 38.416 38.000 -0.100 0.000 1.421 432 I HN 0.696 nan 8.210 nan 0.000 0.513 433 I N 2.690 123.210 120.570 -0.084 0.000 3.956 433 I HA 0.551 4.720 4.170 -0.001 0.000 0.333 433 I C 0.675 176.717 176.117 -0.125 0.000 1.302 433 I CA -0.165 61.090 61.300 -0.075 0.000 1.122 433 I CB 0.144 38.154 38.000 0.016 0.000 1.013 433 I HN 0.539 nan 8.210 nan 0.000 0.405 434 G N 0.689 109.350 108.800 -0.231 0.000 2.466 434 G HA2 0.712 4.672 3.960 -0.001 0.000 0.291 434 G HA3 0.712 4.672 3.960 -0.001 0.000 0.291 434 G C -2.024 172.551 174.900 -0.541 0.000 1.460 434 G CA -0.121 44.727 45.100 -0.420 0.000 0.791 434 G HN 0.438 nan 8.290 nan 0.000 0.505 435 A N -0.464 121.873 122.820 -0.804 0.000 2.602 435 A HA 0.913 5.233 4.320 -0.001 0.000 0.290 435 A C -1.267 175.760 177.584 -0.929 0.000 1.114 435 A CA -0.634 50.770 52.037 -1.055 0.000 0.683 435 A CB 1.708 19.640 19.000 -1.780 0.000 1.281 435 A HN 0.676 nan 8.150 nan 0.000 0.416 436 E N 0.016 119.742 120.200 -0.790 0.000 2.256 436 E HA 0.362 4.712 4.350 -0.001 0.000 0.268 436 E C -1.512 174.918 176.600 -0.282 0.000 0.877 436 E CA -0.375 55.750 56.400 -0.459 0.000 0.757 436 E CB 1.541 31.055 29.700 -0.309 0.000 1.183 436 E HN 0.593 nan 8.360 nan 0.000 0.418 437 W N 1.431 122.756 121.300 0.042 0.000 2.148 437 W HA 0.207 4.866 4.660 -0.001 0.000 0.347 437 W C 1.295 177.779 176.519 -0.058 0.000 1.288 437 W CA -0.057 57.307 57.345 0.032 0.000 1.252 437 W CB 0.336 29.801 29.460 0.009 0.000 1.156 437 W HN 0.597 nan 8.180 nan 0.000 0.580 438 G N 0.858 109.763 108.800 0.175 0.000 2.588 438 G HA2 0.310 4.269 3.960 -0.001 0.000 0.278 438 G HA3 0.310 4.269 3.960 -0.001 0.000 0.278 438 G C -0.995 173.959 174.900 0.089 0.000 1.307 438 G CA -0.427 44.712 45.100 0.065 0.000 1.016 438 G HN 0.402 nan 8.290 nan 0.000 0.503 439 E N -1.649 118.587 120.200 0.060 0.000 2.243 439 E HA 0.543 4.892 4.350 -0.001 0.000 0.260 439 E C 1.060 177.695 176.600 0.058 0.000 0.985 439 E CA 0.596 57.030 56.400 0.057 0.000 0.858 439 E CB 1.000 30.728 29.700 0.045 0.000 1.210 439 E HN 1.106 nan 8.360 nan 0.000 0.411 440 G N 2.882 111.711 108.800 0.049 0.000 2.651 440 G HA2 -0.443 3.517 3.960 -0.001 0.000 0.315 440 G HA3 -0.443 3.517 3.960 -0.001 0.000 0.315 440 G C 0.810 175.749 174.900 0.066 0.000 1.258 440 G CA 1.168 46.296 45.100 0.047 0.000 1.002 440 G HN 0.727 nan 8.290 nan 0.000 0.551 441 R N 0.584 121.126 120.500 0.071 0.000 2.341 441 R HA 0.119 4.459 4.340 -0.001 0.000 0.213 441 R C 2.095 178.515 176.300 0.200 0.000 1.082 441 R CA 1.676 57.837 56.100 0.101 0.000 1.017 441 R CB -0.122 30.227 30.300 0.081 0.000 0.860 441 R HN 0.368 nan 8.270 nan 0.000 0.473 442 R N 0.247 120.832 120.500 0.141 0.000 2.393 442 R HA 0.264 4.603 4.340 -0.001 0.000 0.244 442 R C 1.560 177.899 176.300 0.065 0.000 0.920 442 R CA 0.523 56.670 56.100 0.078 0.000 1.076 442 R CB 0.447 30.767 30.300 0.032 0.000 1.119 442 R HN 0.341 nan 8.270 nan 0.000 0.524 443 A N 0.632 123.541 122.820 0.149 0.000 2.076 443 A HA -0.186 4.133 4.320 -0.001 0.000 0.220 443 A C 1.377 178.988 177.584 0.044 0.000 1.160 443 A CA 1.518 53.614 52.037 0.098 0.000 0.653 443 A CB -0.557 18.467 19.000 0.040 0.000 0.801 443 A HN 0.529 nan 8.150 nan 0.000 0.455 444 H N -1.713 117.324 119.070 -0.056 0.000 2.539 444 H HA 0.445 5.001 4.556 -0.001 0.000 0.269 444 H C 0.136 175.502 175.328 0.064 0.000 0.980 444 H CA -0.175 55.789 56.048 -0.139 0.000 1.152 444 H CB -0.522 29.170 29.762 -0.116 0.000 1.407 444 H HN 0.370 nan 8.280 nan 0.000 0.564 445 L N 0.438 121.532 121.223 -0.216 0.000 2.341 445 L HA 0.362 4.702 4.340 -0.001 0.000 0.267 445 L C -0.407 176.461 176.870 -0.003 0.000 1.009 445 L CA -1.159 53.587 54.840 -0.157 0.000 0.819 445 L CB 2.114 43.966 42.059 -0.345 0.000 1.323 445 L HN -0.090 nan 8.230 nan 0.000 0.425 446 F N -0.017 119.830 119.950 -0.172 0.000 2.443 446 F HA 0.245 4.771 4.527 -0.001 0.000 0.353 446 F C 1.247 176.736 175.800 -0.519 0.000 1.101 446 F CA -0.106 57.561 58.000 -0.555 0.000 1.226 446 F CB 1.268 39.825 39.000 -0.740 0.000 1.140 446 F HN 0.631 nan 8.300 nan 0.000 0.557 447 G N 0.916 109.488 108.800 -0.380 0.000 3.079 447 G HA2 0.137 4.096 3.960 -0.001 0.000 0.233 447 G HA3 0.137 4.096 3.960 -0.001 0.000 0.233 447 G C -0.246 174.353 174.900 -0.501 0.000 1.062 447 G CA 0.062 44.967 45.100 -0.326 0.000 0.809 447 G HN 0.532 nan 8.290 nan 0.000 0.535 448 S N -0.514 114.663 115.700 -0.872 0.000 2.546 448 S HA 0.767 5.236 4.470 -0.001 0.000 0.274 448 S C -2.037 171.796 174.600 -1.278 0.000 1.121 448 S CA -0.630 57.127 58.200 -0.738 0.000 0.887 448 S CB 1.009 63.989 63.200 -0.367 0.000 1.094 448 S HN 0.044 nan 8.310 nan 0.000 0.474 449 F N 3.414 123.174 119.950 -0.317 0.000 2.547 449 F HA 0.556 5.083 4.527 -0.001 0.000 0.316 449 F C -0.057 175.602 175.800 -0.235 0.000 1.121 449 F CA -1.034 56.750 58.000 -0.359 0.000 0.911 449 F CB 1.266 40.026 39.000 -0.400 0.000 1.179 449 F HN 0.330 nan 8.300 nan 0.000 0.443 450 I N 4.660 125.143 120.570 -0.145 0.000 2.416 450 I HA 0.253 4.422 4.170 -0.001 0.000 0.288 450 I C -0.142 175.953 176.117 -0.037 0.000 1.051 450 I CA -0.347 60.885 61.300 -0.112 0.000 1.375 450 I CB 0.675 38.558 38.000 -0.195 0.000 1.407 450 I HN 0.484 nan 8.210 nan 0.000 0.516 451 L N 5.652 126.881 121.223 0.010 0.000 2.309 451 L HA 0.725 5.064 4.340 -0.001 0.000 0.282 451 L C 0.564 177.476 176.870 0.071 0.000 1.036 451 L CA -0.482 54.384 54.840 0.043 0.000 0.806 451 L CB 1.772 43.867 42.059 0.059 0.000 1.220 451 L HN 0.680 nan 8.230 nan 0.000 0.429 452 G N 1.219 110.087 108.800 0.113 0.000 2.482 452 G HA2 0.717 4.676 3.960 -0.001 0.000 0.317 452 G HA3 0.717 4.676 3.960 -0.001 0.000 0.317 452 G C -1.228 173.820 174.900 0.246 0.000 1.241 452 G CA -0.539 44.676 45.100 0.192 0.000 0.967 452 G HN 0.727 nan 8.290 nan 0.000 0.482 453 A N 0.964 123.910 122.820 0.210 0.000 2.312 453 A HA 0.618 4.938 4.320 -0.001 0.000 0.326 453 A C -0.807 176.908 177.584 0.218 0.000 1.172 453 A CA -0.621 51.530 52.037 0.189 0.000 0.821 453 A CB 0.820 19.872 19.000 0.087 0.000 1.166 453 A HN 0.841 nan 8.150 nan 0.000 0.493 454 Y N 1.587 121.928 120.300 0.068 0.000 2.411 454 Y HA 0.385 4.935 4.550 -0.001 0.000 0.333 454 Y C -0.253 175.534 175.900 -0.189 0.000 1.186 454 Y CA -0.151 57.830 58.100 -0.197 0.000 1.381 454 Y CB 0.828 39.248 38.460 -0.068 0.000 1.273 454 Y HN 0.650 nan 8.280 nan 0.000 0.546 455 D N 7.492 127.354 120.400 -0.897 0.000 2.462 455 D HA 0.340 4.979 4.640 -0.001 0.000 0.245 455 D C -2.348 173.273 176.300 -1.131 0.000 1.122 455 D CA -2.601 50.967 54.000 -0.721 0.000 0.864 455 D CB 1.983 42.554 40.800 -0.381 0.000 1.098 455 D HN 0.266 nan 8.370 nan 0.000 0.541 456 P HA -0.125 nan 4.420 nan 0.000 0.215 456 P C 0.983 178.110 177.300 -0.288 0.000 1.157 456 P CA 1.017 63.733 63.100 -0.640 0.000 0.868 456 P CB 0.434 32.000 31.700 -0.223 0.000 0.788 457 E N -1.358 118.707 120.200 -0.225 0.000 2.150 457 E HA -0.100 4.250 4.350 -0.001 0.000 0.193 457 E C 1.932 178.456 176.600 -0.126 0.000 0.985 457 E CA 1.334 57.656 56.400 -0.130 0.000 0.814 457 E CB -1.214 28.424 29.700 -0.103 0.000 0.752 457 E HN 0.221 nan 8.360 nan 0.000 0.466 458 T N -1.816 112.631 114.554 -0.178 0.000 3.023 458 T HA 0.249 4.599 4.350 -0.001 0.000 0.249 458 T C 1.192 175.816 174.700 -0.127 0.000 1.050 458 T CA 1.023 63.043 62.100 -0.134 0.000 1.088 458 T CB 0.169 68.960 68.868 -0.128 0.000 0.946 458 T HN 0.355 nan 8.240 nan 0.000 0.480 459 G N 2.154 110.825 108.800 -0.214 0.000 2.179 459 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.260 459 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.260 459 G C 0.026 174.838 174.900 -0.147 0.000 0.977 459 G CA 0.604 45.649 45.100 -0.092 0.000 0.641 459 G HN 0.709 nan 8.290 nan 0.000 0.533 460 E N -0.413 119.656 120.200 -0.218 0.000 2.280 460 E HA 0.681 5.030 4.350 -0.001 0.000 0.261 460 E C -1.009 175.372 176.600 -0.365 0.000 1.088 460 E CA -1.041 55.288 56.400 -0.120 0.000 0.915 460 E CB 0.836 30.540 29.700 0.006 0.000 1.141 460 E HN 0.161 nan 8.360 nan 0.000 0.433 461 F N 0.741 120.771 119.950 0.133 0.000 2.403 461 F HA 0.340 4.867 4.527 -0.001 0.000 0.355 461 F C -0.312 175.544 175.800 0.093 0.000 1.119 461 F CA -0.774 57.310 58.000 0.141 0.000 1.007 461 F CB 1.122 40.213 39.000 0.152 0.000 1.194 461 F HN 0.205 nan 8.300 nan 0.000 0.443 462 L N 2.832 124.152 121.223 0.161 0.000 2.292 462 L HA 0.297 4.636 4.340 -0.001 0.000 0.284 462 L C 0.606 177.551 176.870 0.125 0.000 1.065 462 L CA -0.580 54.331 54.840 0.118 0.000 0.806 462 L CB 1.146 43.243 42.059 0.063 0.000 1.175 462 L HN 0.605 nan 8.230 nan 0.000 0.431 463 E N 2.058 122.321 120.200 0.106 0.000 2.465 463 E HA 0.027 4.376 4.350 -0.001 0.000 0.260 463 E C 0.327 176.974 176.600 0.077 0.000 0.980 463 E CA -0.079 56.370 56.400 0.081 0.000 0.927 463 E CB 0.837 30.571 29.700 0.057 0.000 0.934 463 E HN 0.510 nan 8.360 nan 0.000 0.459 464 V N 0.853 120.811 119.914 0.072 0.000 3.382 464 V HA 0.576 4.696 4.120 -0.001 0.000 0.296 464 V C 0.354 176.483 176.094 0.058 0.000 1.529 464 V CA 0.331 62.676 62.300 0.075 0.000 1.048 464 V CB 0.288 32.149 31.823 0.064 0.000 0.878 464 V HN 0.695 nan 8.190 nan 0.000 0.442 465 G N 0.127 108.955 108.800 0.047 0.000 2.313 465 G HA2 0.452 4.411 3.960 -0.001 0.000 0.296 465 G HA3 0.452 4.411 3.960 -0.001 0.000 0.296 465 G C -1.955 172.962 174.900 0.029 0.000 1.356 465 G CA -0.460 44.667 45.100 0.044 0.000 0.833 465 G HN 0.327 nan 8.290 nan 0.000 0.552 466 K N -0.433 119.986 120.400 0.033 0.000 2.507 466 K HA 0.633 4.952 4.320 -0.001 0.000 0.251 466 K C -1.593 175.036 176.600 0.048 0.000 0.943 466 K CA -0.746 55.549 56.287 0.014 0.000 0.794 466 K CB 2.485 34.971 32.500 -0.022 0.000 1.188 466 K HN 0.758 nan 8.250 nan 0.000 0.428 467 V N 3.453 123.427 119.914 0.100 0.000 2.459 467 V HA 0.768 4.887 4.120 -0.001 0.000 0.295 467 V C 0.054 176.322 176.094 0.289 0.000 1.029 467 V CA 0.118 62.514 62.300 0.161 0.000 0.874 467 V CB 1.408 33.357 31.823 0.210 0.000 0.985 467 V HN 0.953 nan 8.190 nan 0.000 0.438 468 G N 3.611 112.545 108.800 0.223 0.000 4.530 468 G HA2 0.349 4.308 3.960 -0.001 0.000 0.284 468 G HA3 0.349 4.308 3.960 -0.001 0.000 0.284 468 G C -0.049 175.030 174.900 0.300 0.000 1.008 468 G CA 0.547 45.800 45.100 0.255 0.000 0.770 468 G HN 0.886 nan 8.290 nan 0.000 0.424 469 S N -1.127 114.698 115.700 0.208 0.000 2.568 469 S HA 0.622 5.092 4.470 -0.001 0.000 0.293 469 S C 1.004 175.588 174.600 -0.028 0.000 1.089 469 S CA 0.710 58.959 58.200 0.081 0.000 0.945 469 S CB 1.363 64.422 63.200 -0.236 0.000 1.077 469 S HN 1.542 nan 8.310 nan 0.000 0.485 470 G N 1.604 110.420 108.800 0.026 0.000 2.175 470 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.244 470 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.244 470 G C -0.181 174.717 174.900 -0.002 0.000 0.982 470 G CA 0.153 45.223 45.100 -0.049 0.000 0.641 470 G HN 0.616 nan 8.290 nan 0.000 0.527 471 F N 2.503 122.564 119.950 0.187 0.000 2.408 471 F HA 0.579 5.106 4.527 -0.001 0.000 0.344 471 F C 1.309 177.185 175.800 0.127 0.000 1.112 471 F CA -0.046 58.039 58.000 0.142 0.000 1.096 471 F CB 1.340 40.368 39.000 0.047 0.000 1.129 471 F HN 0.178 nan 8.300 nan 0.000 0.486 472 T N -1.776 112.954 114.554 0.292 0.000 2.788 472 T HA 0.110 4.460 4.350 -0.001 0.000 0.287 472 T C 0.906 175.713 174.700 0.179 0.000 1.007 472 T CA -0.753 61.463 62.100 0.193 0.000 1.005 472 T CB 0.880 69.834 68.868 0.142 0.000 1.012 472 T HN 0.517 nan 8.240 nan 0.000 0.530 473 D N 0.213 120.690 120.400 0.127 0.000 2.123 473 D HA -0.120 4.519 4.640 -0.001 0.000 0.196 473 D C 1.659 178.011 176.300 0.087 0.000 0.992 473 D CA 1.550 55.610 54.000 0.101 0.000 0.833 473 D CB -0.369 40.482 40.800 0.084 0.000 0.954 473 D HN 0.795 nan 8.370 nan 0.000 0.455 474 D N 0.564 121.011 120.400 0.079 0.000 2.144 474 D HA -0.140 4.500 4.640 -0.001 0.000 0.199 474 D C 1.366 177.695 176.300 0.049 0.000 0.984 474 D CA 1.001 55.032 54.000 0.053 0.000 0.834 474 D CB 0.051 40.874 40.800 0.038 0.000 0.955 474 D HN -0.031 nan 8.370 nan 0.000 0.465 475 D N -0.110 120.349 120.400 0.099 0.000 2.123 475 D HA -0.142 4.497 4.640 -0.001 0.000 0.196 475 D C 2.291 178.677 176.300 0.145 0.000 0.992 475 D CA 0.622 54.690 54.000 0.113 0.000 0.833 475 D CB -0.328 40.643 40.800 0.284 0.000 0.954 475 D HN 0.331 nan 8.370 nan 0.000 0.455 476 L N 0.395 121.711 121.223 0.156 0.000 2.046 476 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 476 L C 2.594 179.517 176.870 0.088 0.000 1.077 476 L CA 0.591 55.506 54.840 0.125 0.000 0.747 476 L CB -0.445 41.648 42.059 0.056 0.000 0.896 476 L HN -0.051 nan 8.230 nan 0.000 0.432 477 V N -0.381 119.558 119.914 0.041 0.000 2.295 477 V HA -0.244 3.875 4.120 -0.001 0.000 0.246 477 V C 2.585 178.682 176.094 0.006 0.000 1.049 477 V CA 1.671 63.981 62.300 0.018 0.000 1.024 477 V CB -0.440 31.397 31.823 0.024 0.000 0.648 477 V HN 0.420 nan 8.190 nan 0.000 0.447 478 E N -0.391 119.785 120.200 -0.039 0.000 2.051 478 E HA -0.171 4.179 4.350 -0.001 0.000 0.192 478 E C 2.089 178.602 176.600 -0.144 0.000 0.991 478 E CA 1.420 57.745 56.400 -0.125 0.000 0.799 478 E CB -0.441 29.122 29.700 -0.227 0.000 0.748 478 E HN 0.651 nan 8.360 nan 0.000 0.449 479 F N 1.259 121.182 119.950 -0.045 0.000 2.171 479 F HA -0.162 4.364 4.527 -0.001 0.000 0.300 479 F C 2.575 178.444 175.800 0.115 0.000 1.090 479 F CA 1.313 59.288 58.000 -0.042 0.000 1.293 479 F CB -0.205 38.646 39.000 -0.249 0.000 1.013 479 F HN -0.001 nan 8.300 nan 0.000 0.486 480 T N -0.513 114.197 114.554 0.259 0.000 2.777 480 T HA -0.180 4.169 4.350 -0.001 0.000 0.266 480 T C 1.177 175.927 174.700 0.082 0.000 1.040 480 T CA 0.740 62.897 62.100 0.095 0.000 1.141 480 T CB -0.188 68.607 68.868 -0.122 0.000 0.868 480 T HN 0.093 nan 8.240 nan 0.000 0.444 484 K N 0.918 121.488 120.400 0.282 0.000 2.089 484 K HA -0.174 4.145 4.320 -0.001 0.000 0.210 484 K C -0.804 175.907 176.600 0.186 0.000 1.048 484 K CA 2.243 58.679 56.287 0.249 0.000 0.926 484 K CB -0.562 32.041 32.500 0.173 0.000 0.714 484 K HN 0.290 nan 8.250 nan 0.000 0.448 485 P HA -0.096 nan 4.420 nan 0.000 0.226 485 P C 0.639 177.999 177.300 0.100 0.000 1.153 485 P CA 0.986 64.149 63.100 0.105 0.000 0.777 485 P CB 0.130 31.879 31.700 0.083 0.000 0.794 486 L N -1.781 119.506 121.223 0.108 0.000 2.592 486 L HA 0.153 4.493 4.340 -0.001 0.000 0.227 486 L C 0.926 177.851 176.870 0.092 0.000 1.127 486 L CA -0.295 54.595 54.840 0.083 0.000 0.884 486 L CB -0.414 41.681 42.059 0.060 0.000 1.065 486 L HN -0.074 nan 8.230 nan 0.000 0.457 487 I N 2.170 122.817 120.570 0.128 0.000 2.683 487 I HA -0.120 4.049 4.170 -0.001 0.000 0.286 487 I C 1.309 177.507 176.117 0.135 0.000 1.175 487 I CA 0.593 61.983 61.300 0.150 0.000 1.429 487 I CB 0.771 38.899 38.000 0.212 0.000 1.371 487 I HN 0.216 nan 8.210 nan 0.000 0.569 488 I N 2.352 123.011 120.570 0.147 0.000 4.327 488 I HA 0.391 4.560 4.170 -0.001 0.000 0.331 488 I C 0.281 176.457 176.117 0.099 0.000 1.348 488 I CA -0.149 61.216 61.300 0.109 0.000 1.152 488 I CB 0.391 38.444 38.000 0.089 0.000 1.151 488 I HN 0.487 nan 8.210 nan 0.000 0.410 489 K N 1.850 122.359 120.400 0.181 0.000 2.569 489 K HA 0.399 4.718 4.320 -0.001 0.000 0.259 489 K C -1.782 175.058 176.600 0.400 0.000 0.932 489 K CA -0.359 56.022 56.287 0.156 0.000 0.833 489 K CB 2.909 35.328 32.500 -0.134 0.000 1.340 489 K HN 0.203 nan 8.250 nan 0.000 0.429 490 E N 2.195 122.591 120.200 0.327 0.000 2.317 490 E HA 0.292 4.641 4.350 -0.001 0.000 0.270 490 E C -1.798 175.031 176.600 0.381 0.000 0.885 490 E CA -0.493 56.151 56.400 0.408 0.000 0.760 490 E CB 1.913 31.816 29.700 0.338 0.000 1.227 490 E HN 0.520 nan 8.360 nan 0.000 0.434 491 E N 3.447 123.905 120.200 0.429 0.000 2.646 491 E HA 0.339 4.689 4.350 -0.001 0.000 0.336 491 E C -0.050 176.701 176.600 0.252 0.000 1.027 491 E CA 0.386 56.988 56.400 0.337 0.000 0.765 491 E CB 0.390 30.377 29.700 0.478 0.000 1.545 491 E HN 0.859 nan 8.360 nan 0.000 0.382 492 G N 4.415 113.335 108.800 0.199 0.000 2.536 492 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.280 492 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.280 492 G C 0.665 175.703 174.900 0.231 0.000 1.152 492 G CA 0.290 45.488 45.100 0.163 0.000 0.970 492 G HN 0.447 nan 8.290 nan 0.000 0.549 493 K N 0.967 121.481 120.400 0.190 0.000 2.459 493 K HA 0.137 4.456 4.320 -0.001 0.000 0.193 493 K C 1.335 178.014 176.600 0.133 0.000 1.030 493 K CA 0.356 56.798 56.287 0.258 0.000 1.026 493 K CB 0.215 32.795 32.500 0.134 0.000 0.809 493 K HN 0.417 nan 8.250 nan 0.000 0.504 494 R N 0.646 121.163 120.500 0.028 0.000 2.312 494 R HA 0.306 4.645 4.340 -0.001 0.000 0.311 494 R C -1.080 175.093 176.300 -0.211 0.000 1.004 494 R CA -0.322 55.631 56.100 -0.244 0.000 0.902 494 R CB 0.897 30.956 30.300 -0.402 0.000 1.073 494 R HN -0.287 nan 8.270 nan 0.000 0.457 495 V N 4.457 124.111 119.914 -0.433 0.000 2.735 495 V HA 0.504 4.624 4.120 -0.001 0.000 0.310 495 V C -0.636 175.240 176.094 -0.364 0.000 1.061 495 V CA -0.928 61.261 62.300 -0.184 0.000 0.913 495 V CB 1.937 33.638 31.823 -0.204 0.000 1.005 495 V HN 0.653 nan 8.190 nan 0.000 0.428 496 W N 4.265 125.509 121.300 -0.094 0.000 2.496 496 W HA 0.733 5.393 4.660 -0.000 0.000 0.327 496 W C -0.826 175.643 176.519 -0.084 0.000 1.086 496 W CA -0.520 56.774 57.345 -0.085 0.000 1.222 496 W CB 1.780 31.221 29.460 -0.032 0.000 1.304 496 W HN 0.343 nan 8.180 nan 0.000 0.547 497 L N 1.638 122.903 121.223 0.070 0.000 2.341 497 L HA 0.316 4.656 4.340 -0.001 0.000 0.267 497 L C 0.284 177.170 176.870 0.026 0.000 1.009 497 L CA -1.165 53.686 54.840 0.018 0.000 0.819 497 L CB 1.926 43.934 42.059 -0.084 0.000 1.323 497 L HN 0.269 nan 8.230 nan 0.000 0.425 498 Q N 3.454 123.268 119.800 0.023 0.000 2.300 498 Q HA 0.105 4.444 4.340 -0.001 0.000 0.280 498 Q C -2.086 173.865 176.000 -0.080 0.000 1.033 498 Q CA -1.425 54.379 55.803 0.002 0.000 0.903 498 Q CB 0.441 29.189 28.738 0.017 0.000 1.195 498 Q HN 0.245 nan 8.270 nan 0.000 0.386 499 P HA 0.047 nan 4.420 nan 0.000 0.260 499 P C -0.811 176.258 177.300 -0.385 0.000 1.651 499 P CA 0.309 63.133 63.100 -0.459 0.000 1.139 499 P CB 0.346 31.428 31.700 -1.030 0.000 1.756 500 K N 0.686 120.966 120.400 -0.201 0.000 2.548 500 K HA 0.156 4.476 4.320 -0.001 0.000 0.209 500 K C 0.264 176.840 176.600 -0.041 0.000 1.420 500 K CA 0.045 56.272 56.287 -0.099 0.000 0.985 500 K CB 0.957 33.440 32.500 -0.028 0.000 1.249 500 K HN 0.139 nan 8.250 nan 0.000 0.557 501 V N 2.871 122.768 119.914 -0.028 0.000 2.383 501 V HA 0.227 4.346 4.120 -0.001 0.000 0.275 501 V C -0.219 175.898 176.094 0.038 0.000 1.036 501 V CA -0.654 61.671 62.300 0.042 0.000 0.889 501 V CB 1.527 33.403 31.823 0.088 0.000 0.985 501 V HN -0.134 nan 8.190 nan 0.000 0.459 502 V N 6.981 126.945 119.914 0.084 0.000 2.435 502 V HA 0.591 4.710 4.120 -0.001 0.000 0.290 502 V C -0.088 176.098 176.094 0.152 0.000 1.030 502 V CA -0.416 61.942 62.300 0.096 0.000 0.881 502 V CB 1.577 33.459 31.823 0.098 0.000 0.983 502 V HN 0.816 nan 8.190 nan 0.000 0.445 503 I N 0.900 121.558 120.570 0.146 0.000 2.934 503 I HA 0.736 4.905 4.170 -0.001 0.000 0.306 503 I C -0.523 175.677 176.117 0.138 0.000 1.110 503 I CA -0.843 60.584 61.300 0.211 0.000 1.019 503 I CB 2.282 40.451 38.000 0.281 0.000 1.227 503 I HN 0.619 nan 8.210 nan 0.000 0.434 504 E N 3.649 123.906 120.200 0.094 0.000 2.175 504 E HA 0.632 4.982 4.350 -0.001 0.000 0.278 504 E C -1.264 175.315 176.600 -0.036 0.000 0.969 504 E CA -0.801 55.617 56.400 0.030 0.000 0.796 504 E CB 1.938 31.651 29.700 0.023 0.000 1.104 504 E HN 0.659 nan 8.360 nan 0.000 0.395 505 V N 0.764 120.687 119.914 0.016 0.000 3.007 505 V HA 0.649 4.769 4.120 -0.001 0.000 0.311 505 V C -0.058 176.056 176.094 0.034 0.000 1.120 505 V CA -0.670 61.629 62.300 -0.001 0.000 0.980 505 V CB 1.285 33.145 31.823 0.062 0.000 1.033 505 V HN 0.794 nan 8.190 nan 0.000 0.429 506 T N 0.641 115.165 114.554 -0.051 0.000 2.897 506 T HA 0.850 5.199 4.350 -0.001 0.000 0.278 506 T C -0.680 173.995 174.700 -0.041 0.000 0.981 506 T CA -0.326 61.681 62.100 -0.155 0.000 0.973 506 T CB 1.444 70.200 68.868 -0.187 0.000 1.092 506 T HN 1.665 nan 8.240 nan 0.000 0.543 507 Y N -1.977 118.326 120.300 0.005 0.000 2.552 507 Y HA 0.511 5.061 4.550 -0.000 0.000 0.337 507 Y C 0.781 176.726 175.900 0.074 0.000 1.094 507 Y CA -1.283 56.838 58.100 0.035 0.000 1.028 507 Y CB 1.186 39.671 38.460 0.042 0.000 1.321 507 Y HN 0.445 nan 8.280 nan 0.000 0.456 508 Q N 1.205 121.146 119.800 0.236 0.000 2.187 508 Q HA 0.018 4.357 4.340 -0.001 0.000 0.199 508 Q C -0.267 175.874 176.000 0.234 0.000 0.957 508 Q CA 1.375 57.291 55.803 0.188 0.000 0.857 508 Q CB 0.760 29.635 28.738 0.229 0.000 0.929 508 Q HN 0.888 nan 8.270 nan 0.000 0.453 509 E N -0.583 119.830 120.200 0.356 0.000 2.388 509 E HA 0.285 4.634 4.350 -0.001 0.000 0.282 509 E C -1.620 175.153 176.600 0.288 0.000 1.026 509 E CA -0.304 56.290 56.400 0.324 0.000 0.820 509 E CB 1.309 31.135 29.700 0.211 0.000 1.226 509 E HN -0.019 nan 8.360 nan 0.000 0.432 510 I N 3.392 124.100 120.570 0.230 0.000 2.321 510 I HA 0.235 4.404 4.170 -0.001 0.000 0.291 510 I C -0.194 176.124 176.117 0.334 0.000 0.998 510 I CA -0.364 61.027 61.300 0.151 0.000 1.227 510 I CB 1.450 39.496 38.000 0.076 0.000 1.368 510 I HN 0.386 nan 8.210 nan 0.000 0.466 511 Q N 5.702 125.648 119.800 0.243 0.000 2.274 511 Q HA 0.365 4.705 4.340 -0.001 0.000 0.260 511 Q C -0.575 175.464 176.000 0.065 0.000 0.974 511 Q CA -0.928 54.999 55.803 0.207 0.000 0.876 511 Q CB 2.563 31.383 28.738 0.136 0.000 1.297 511 Q HN 0.367 nan 8.270 nan 0.000 0.446 512 K N 1.672 121.986 120.400 -0.144 0.000 2.150 512 K HA 0.219 4.538 4.320 -0.001 0.000 0.261 512 K C -0.895 175.530 176.600 -0.292 0.000 1.127 512 K CA -0.052 55.931 56.287 -0.506 0.000 0.989 512 K CB 0.339 32.444 32.500 -0.658 0.000 1.475 512 K HN 0.451 nan 8.250 nan 0.000 0.391 513 S N 3.269 118.826 115.700 -0.239 0.000 2.465 513 S HA 0.176 4.646 4.470 -0.001 0.000 0.279 513 S C -0.970 173.533 174.600 -0.163 0.000 1.201 513 S CA -0.853 57.264 58.200 -0.138 0.000 1.053 513 S CB 1.631 64.793 63.200 -0.063 0.000 0.953 513 S HN 0.526 nan 8.310 nan 0.000 0.488 514 P HA -0.104 nan 4.420 nan 0.000 0.223 514 P C 1.511 178.765 177.300 -0.077 0.000 1.151 514 P CA 1.702 64.739 63.100 -0.105 0.000 0.787 514 P CB -0.459 31.198 31.700 -0.072 0.000 0.788 515 K N -2.227 118.138 120.400 -0.058 0.000 1.990 515 K HA -0.052 4.267 4.320 -0.001 0.000 0.225 515 K C 1.583 178.166 176.600 -0.028 0.000 1.053 515 K CA 2.169 58.437 56.287 -0.032 0.000 0.982 515 K CB -2.187 30.302 32.500 -0.018 0.000 0.734 515 K HN 0.596 nan 8.250 nan 0.000 0.448 516 Y N -0.658 119.625 120.300 -0.029 0.000 2.300 516 Y HA 0.481 5.031 4.550 -0.001 0.000 0.328 516 Y C 2.315 178.199 175.900 -0.027 0.000 1.270 516 Y CA 0.330 58.423 58.100 -0.012 0.000 1.352 516 Y CB -0.142 38.324 38.460 0.010 0.000 1.286 516 Y HN 0.784 nan 8.280 nan 0.000 0.536 517 R N 0.579 121.076 120.500 -0.006 0.000 2.105 517 R HA -0.137 4.202 4.340 -0.001 0.000 0.239 517 R C 2.489 178.778 176.300 -0.018 0.000 1.135 517 R CA 2.333 58.426 56.100 -0.012 0.000 0.967 517 R CB -1.843 28.462 30.300 0.007 0.000 0.861 517 R HN 1.537 nan 8.270 nan 0.000 0.442 518 S N -1.811 113.895 115.700 0.010 0.000 2.442 518 S HA 0.206 4.676 4.470 -0.001 0.000 0.236 518 S C 2.062 176.662 174.600 -0.001 0.000 1.007 518 S CA 1.372 59.601 58.200 0.050 0.000 0.965 518 S CB -0.232 63.035 63.200 0.112 0.000 0.773 518 S HN 1.871 nan 8.310 nan 0.000 0.504 519 G N -0.179 108.541 108.800 -0.133 0.000 2.199 519 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.254 519 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.254 519 G C -0.036 174.442 174.900 -0.703 0.000 0.982 519 G CA 0.323 45.178 45.100 -0.409 0.000 0.632 519 G HN 0.554 nan 8.290 nan 0.000 0.529 520 F N 0.421 120.309 119.950 -0.104 0.000 2.593 520 F HA 0.816 5.343 4.527 -0.001 0.000 0.320 520 F C 0.292 176.050 175.800 -0.070 0.000 1.060 520 F CA -0.396 57.532 58.000 -0.121 0.000 0.940 520 F CB 2.466 41.385 39.000 -0.135 0.000 1.268 520 F HN 0.497 nan 8.300 nan 0.000 0.475 521 A N 2.079 124.998 122.820 0.165 0.000 2.488 521 A HA 0.718 5.037 4.320 -0.001 0.000 0.295 521 A C -1.657 175.985 177.584 0.097 0.000 1.045 521 A CA -0.624 51.473 52.037 0.099 0.000 0.703 521 A CB 1.048 20.087 19.000 0.065 0.000 1.271 521 A HN 0.721 nan 8.150 nan 0.000 0.400 522 L N 2.229 123.496 121.223 0.073 0.000 2.290 522 L HA 0.478 4.818 4.340 -0.001 0.000 0.284 522 L C 0.872 177.826 176.870 0.139 0.000 1.078 522 L CA -0.449 54.438 54.840 0.079 0.000 0.815 522 L CB 1.040 43.132 42.059 0.054 0.000 1.162 522 L HN 0.832 nan 8.230 nan 0.000 0.435 523 R N 3.888 124.501 120.500 0.188 0.000 2.234 523 R HA 0.097 4.436 4.340 -0.001 0.000 0.324 523 R C -0.230 176.252 176.300 0.303 0.000 1.054 523 R CA -0.531 55.701 56.100 0.221 0.000 0.912 523 R CB 0.169 30.593 30.300 0.207 0.000 1.030 523 R HN 0.536 nan 8.270 nan 0.000 0.455 524 F N 4.313 124.327 119.950 0.107 0.000 2.738 524 F HA -0.176 4.350 4.527 -0.002 0.000 0.232 524 F C -2.278 173.593 175.800 0.117 0.000 1.025 524 F CA -0.267 57.793 58.000 0.100 0.000 0.895 524 F CB -0.670 38.379 39.000 0.080 0.000 0.839 524 F HN 0.580 nan 8.300 nan 0.000 0.850 525 P HA 0.388 nan 4.420 nan 0.000 0.272 525 P C -0.750 176.350 177.300 -0.334 0.000 1.230 525 P CA 0.036 63.084 63.100 -0.087 0.000 0.788 525 P CB 0.724 32.439 31.700 0.024 0.000 0.949 526 R N 0.546 120.911 120.500 -0.225 0.000 2.621 526 R HA 0.437 4.776 4.340 -0.001 0.000 0.284 526 R C -0.938 175.243 176.300 -0.198 0.000 0.998 526 R CA -0.741 55.200 56.100 -0.265 0.000 0.895 526 R CB 0.943 31.102 30.300 -0.234 0.000 1.195 526 R HN 0.353 nan 8.270 nan 0.000 0.450 527 F N 3.080 122.711 119.950 -0.532 0.000 2.578 527 F HA 0.064 4.590 4.527 -0.001 0.000 0.376 527 F C 0.349 175.949 175.800 -0.334 0.000 1.085 527 F CA 0.354 57.974 58.000 -0.634 0.000 1.260 527 F CB 0.648 38.736 39.000 -1.520 0.000 1.095 527 F HN 0.280 nan 8.300 nan 0.000 0.573 528 V N 4.605 123.949 119.914 -0.950 0.000 2.854 528 V HA 0.529 4.648 4.120 -0.001 0.000 0.236 528 V C 0.561 176.016 176.094 -1.065 0.000 1.157 528 V CA 0.710 62.574 62.300 -0.726 0.000 1.187 528 V CB -0.153 31.492 31.823 -0.297 0.000 0.949 528 V HN 0.979 nan 8.190 nan 0.000 0.488 529 A N -0.345 121.829 122.820 -1.077 0.000 2.601 529 A HA 0.691 5.010 4.320 -0.001 0.000 0.291 529 A C -1.929 175.662 177.584 0.011 0.000 1.075 529 A CA -0.488 51.208 52.037 -0.570 0.000 0.671 529 A CB 1.194 20.131 19.000 -0.106 0.000 1.277 529 A HN 0.186 nan 8.150 nan 0.000 0.417 530 L N 0.767 122.180 121.223 0.318 0.000 2.331 530 L HA 0.629 4.969 4.340 -0.001 0.000 0.278 530 L C 0.004 177.034 176.870 0.268 0.000 1.106 530 L CA 0.122 55.202 54.840 0.400 0.000 0.824 530 L CB 0.413 42.640 42.059 0.280 0.000 1.142 530 L HN 0.538 nan 8.230 nan 0.000 0.443 531 R N 3.672 124.322 120.500 0.249 0.000 3.194 531 R HA 0.189 4.529 4.340 -0.001 0.000 0.306 531 R C -0.037 176.376 176.300 0.189 0.000 1.347 531 R CA -0.218 56.014 56.100 0.220 0.000 1.540 531 R CB -0.189 30.213 30.300 0.170 0.000 1.352 531 R HN 0.779 nan 8.270 nan 0.000 0.621 532 D N -0.187 120.327 120.400 0.191 0.000 2.338 532 D HA -0.107 4.532 4.640 -0.001 0.000 0.239 532 D C 0.424 176.839 176.300 0.193 0.000 1.095 532 D CA 0.129 54.231 54.000 0.169 0.000 0.888 532 D CB 0.197 41.084 40.800 0.145 0.000 0.899 532 D HN 0.250 nan 8.370 nan 0.000 0.525 533 D N -0.056 120.480 120.400 0.227 0.000 2.339 533 D HA 0.005 4.645 4.640 -0.001 0.000 0.217 533 D C 0.087 176.496 176.300 0.182 0.000 1.050 533 D CA -0.097 54.058 54.000 0.259 0.000 0.856 533 D CB 0.104 41.118 40.800 0.357 0.000 0.922 533 D HN 0.082 nan 8.370 nan 0.000 0.518 534 K N 0.355 120.846 120.400 0.152 0.000 2.345 534 K HA 0.555 4.874 4.320 -0.001 0.000 0.255 534 K C 0.142 176.802 176.600 0.101 0.000 0.934 534 K CA -0.773 55.586 56.287 0.120 0.000 0.801 534 K CB 2.534 35.100 32.500 0.109 0.000 1.137 534 K HN 0.026 nan 8.250 nan 0.000 0.424 535 G N 2.330 111.181 108.800 0.085 0.000 2.562 535 G HA2 0.176 4.135 3.960 -0.001 0.000 0.275 535 G HA3 0.176 4.135 3.960 -0.001 0.000 0.275 535 G C -1.841 173.083 174.900 0.039 0.000 1.196 535 G CA -1.374 43.765 45.100 0.065 0.000 0.908 535 G HN 0.284 nan 8.290 nan 0.000 0.524 536 P HA -0.119 nan 4.420 nan 0.000 0.216 536 P C 1.266 178.590 177.300 0.040 0.000 1.154 536 P CA 1.199 64.305 63.100 0.011 0.000 0.865 536 P CB 0.277 31.903 31.700 -0.122 0.000 0.789 537 E N -1.014 119.084 120.200 -0.169 0.000 2.478 537 E HA -0.093 4.256 4.350 -0.001 0.000 0.198 537 E C 1.037 177.431 176.600 -0.344 0.000 1.046 537 E CA 0.721 56.699 56.400 -0.704 0.000 0.870 537 E CB -0.682 28.782 29.700 -0.393 0.000 0.818 537 E HN 0.351 nan 8.360 nan 0.000 0.527 538 D N -0.216 120.144 120.400 -0.068 0.000 2.349 538 D HA 0.122 4.762 4.640 -0.001 0.000 0.214 538 D C 0.481 176.835 176.300 0.089 0.000 1.063 538 D CA 0.102 54.129 54.000 0.045 0.000 0.847 538 D CB 0.194 41.035 40.800 0.068 0.000 0.933 538 D HN 0.100 nan 8.370 nan 0.000 0.513 539 A N 1.052 123.934 122.820 0.104 0.000 2.429 539 A HA 0.051 4.370 4.320 -0.001 0.000 0.242 539 A C 0.384 178.073 177.584 0.174 0.000 1.088 539 A CA -0.117 52.011 52.037 0.153 0.000 0.784 539 A CB 0.370 19.498 19.000 0.213 0.000 1.038 539 A HN -0.097 nan 8.150 nan 0.000 0.501 540 D N 0.581 121.061 120.400 0.133 0.000 2.423 540 D HA 0.325 4.964 4.640 -0.001 0.000 0.238 540 D C 0.907 177.275 176.300 0.114 0.000 1.142 540 D CA 1.028 55.086 54.000 0.097 0.000 0.884 540 D CB 0.739 41.568 40.800 0.049 0.000 1.199 540 D HN 0.687 nan 8.370 nan 0.000 0.438 541 T N -1.694 112.902 114.554 0.070 0.000 2.923 541 T HA 0.417 4.767 4.350 -0.001 0.000 0.281 541 T C 1.804 176.490 174.700 -0.023 0.000 0.995 541 T CA -0.821 61.303 62.100 0.040 0.000 0.985 541 T CB 0.760 69.640 68.868 0.020 0.000 1.114 541 T HN 0.257 nan 8.240 nan 0.000 0.548 542 I N 0.312 120.865 120.570 -0.028 0.000 2.286 542 I HA -0.125 4.044 4.170 -0.001 0.000 0.248 542 I C 2.874 178.946 176.117 -0.074 0.000 1.115 542 I CA 1.605 62.884 61.300 -0.035 0.000 1.392 542 I CB -0.328 37.702 38.000 0.050 0.000 1.065 542 I HN 0.888 nan 8.210 nan 0.000 0.418 543 E N 1.243 121.421 120.200 -0.036 0.000 2.085 543 E HA -0.321 4.029 4.350 -0.001 0.000 0.194 543 E C 2.287 178.851 176.600 -0.060 0.000 0.994 543 E CA 1.456 57.839 56.400 -0.028 0.000 0.801 543 E CB 0.002 29.693 29.700 -0.015 0.000 0.743 543 E HN 0.240 nan 8.360 nan 0.000 0.453 544 R N 0.797 121.261 120.500 -0.061 0.000 2.091 544 R HA -0.112 4.227 4.340 -0.001 0.000 0.238 544 R C 2.228 178.451 176.300 -0.128 0.000 1.136 544 R CA 1.688 57.750 56.100 -0.062 0.000 0.959 544 R CB -0.503 29.778 30.300 -0.030 0.000 0.856 544 R HN 0.294 nan 8.270 nan 0.000 0.437 545 I N 0.440 120.874 120.570 -0.226 0.000 2.226 545 I HA -0.206 3.963 4.170 -0.001 0.000 0.245 545 I C 2.381 178.183 176.117 -0.525 0.000 1.100 545 I CA 1.250 62.301 61.300 -0.415 0.000 1.374 545 I CB -0.493 37.156 38.000 -0.584 0.000 1.057 545 I HN 0.366 nan 8.210 nan 0.000 0.413 546 A N 0.277 122.801 122.820 -0.493 0.000 1.940 546 A HA -0.270 4.050 4.320 -0.001 0.000 0.219 546 A C 2.240 179.826 177.584 0.005 0.000 1.176 546 A CA 1.647 53.560 52.037 -0.207 0.000 0.631 546 A CB -0.605 18.435 19.000 0.067 0.000 0.814 546 A HN 0.471 nan 8.150 nan 0.000 0.446 547 Q N -0.549 119.230 119.800 -0.035 0.000 2.084 547 Q HA -0.069 4.270 4.340 -0.001 0.000 0.202 547 Q C 2.045 178.048 176.000 0.005 0.000 0.978 547 Q CA 1.460 57.264 55.803 0.002 0.000 0.844 547 Q CB -0.298 28.433 28.738 -0.011 0.000 0.898 547 Q HN 0.682 nan 8.270 nan 0.000 0.426 548 L N -0.752 120.456 121.223 -0.026 0.000 2.141 548 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 548 L C 2.296 179.181 176.870 0.025 0.000 1.094 548 L CA 0.908 55.748 54.840 -0.000 0.000 0.763 548 L CB -0.412 41.637 42.059 -0.016 0.000 0.908 548 L HN 0.280 nan 8.230 nan 0.000 0.437 549 Y N 1.353 121.594 120.300 -0.099 0.000 2.145 549 Y HA -0.267 4.282 4.550 -0.001 0.000 0.286 549 Y C 2.602 178.525 175.900 0.039 0.000 1.145 549 Y CA 1.681 59.773 58.100 -0.014 0.000 1.148 549 Y CB -0.057 38.430 38.460 0.046 0.000 0.981 549 Y HN 0.169 nan 8.280 nan 0.000 0.507 550 E N 0.180 120.399 120.200 0.032 0.000 2.085 550 E HA -0.237 4.113 4.350 -0.001 0.000 0.194 550 E C 2.219 178.763 176.600 -0.093 0.000 0.994 550 E CA 1.395 57.769 56.400 -0.043 0.000 0.801 550 E CB -0.965 28.763 29.700 0.048 0.000 0.743 550 E HN 0.508 nan 8.360 nan 0.000 0.453 551 L N 1.526 122.720 121.223 -0.049 0.000 2.046 551 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 551 L C 2.600 179.434 176.870 -0.060 0.000 1.077 551 L CA 1.885 56.702 54.840 -0.039 0.000 0.747 551 L CB -0.554 41.501 42.059 -0.008 0.000 0.896 551 L HN 0.122 nan 8.230 nan 0.000 0.432 552 Q N -0.928 118.824 119.800 -0.081 0.000 2.050 552 Q HA -0.222 4.117 4.340 -0.001 0.000 0.202 552 Q C 1.862 177.777 176.000 -0.142 0.000 0.980 552 Q CA 1.761 57.516 55.803 -0.079 0.000 0.840 552 Q CB -0.062 28.640 28.738 -0.060 0.000 0.898 552 Q HN 0.523 nan 8.270 nan 0.000 0.424 553 E N 1.155 121.190 120.200 -0.275 0.000 2.152 553 E HA -0.075 4.274 4.350 -0.001 0.000 0.192 553 E C 0.716 177.240 176.600 -0.127 0.000 0.983 553 E CA 0.520 56.770 56.400 -0.250 0.000 0.818 553 E CB -0.136 29.325 29.700 -0.399 0.000 0.758 553 E HN 0.319 nan 8.360 nan 0.000 0.467 557 G N 1.904 110.688 108.800 -0.028 0.000 2.498 557 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.219 557 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.219 557 G C 1.215 176.107 174.900 -0.014 0.000 1.119 557 G CA 0.811 45.900 45.100 -0.019 0.000 0.766 557 G HN 0.073 nan 8.290 nan 0.000 0.552 558 K N -0.240 120.151 120.400 -0.015 0.000 2.379 558 K HA 0.196 4.515 4.320 -0.001 0.000 0.194 558 K C 0.518 177.113 176.600 -0.008 0.000 1.031 558 K CA -0.358 55.922 56.287 -0.011 0.000 1.037 558 K CB 0.523 33.015 32.500 -0.013 0.000 0.824 558 K HN 0.118 nan 8.250 nan 0.000 0.516 559 V N 3.062 122.971 119.914 -0.007 0.000 2.720 559 V HA -0.133 3.986 4.120 -0.001 0.000 0.307 559 V C 0.742 176.835 176.094 -0.002 0.000 1.071 559 V CA 0.817 63.115 62.300 -0.004 0.000 1.199 559 V CB -0.090 31.732 31.823 -0.002 0.000 0.900 559 V HN 0.537 nan 8.190 nan 0.000 0.494 560 E N 2.574 122.773 120.200 -0.002 0.000 4.310 560 E HA -0.018 4.331 4.350 -0.001 0.000 0.198 560 E C -0.227 176.372 176.600 -0.002 0.000 1.405 560 E CA 0.644 57.043 56.400 -0.001 0.000 2.225 560 E CB -1.134 28.566 29.700 0.000 0.000 2.070 560 E HN 1.475 nan 8.360 nan 0.000 0.518 561 S N 0.000 115.699 115.700 -0.001 0.000 2.498 561 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 561 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 561 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 561 S HN 0.000 nan 8.310 nan 0.000 0.517