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 2wdx_1_C DATA FIRST_RESID 26 DATA SEQUENCE CLPPAGPVKV TPDDPRYLNL KLRGANSRFN GEPDYIHLVG STQQVADAVE DATA SEQUENCE ETVRTGKRVA VRSGGHCFED FVDNPDVKVI IDMSLLTEIA YDPSMNAFLI DATA SEQUENCE EPGNTLSEVY EKLYLGWNVT IPGGVCGGVG VGGHICGGGY GPLSRQFGSV DATA SEQUENCE VDYLYAVEVV VVNKQGKARV IVATRERDDP HHDLWWAHTG GGGGNFGVVT DATA SEQUENCE KYWMRVPEDV GRNPERLLPK PPATLLTSTV TFDWAGMTEA AFSRLLRNHG DATA SEQUENCE EWYERNSGPD SPYTGLWSQL MIGNEVPGMG ESGFMMPIQV DATRPDARRL DATA SEQUENCE LDAHIEAVID GVPPAEVPEP IEQRWLASTP GRGGRGPASK TKAGYLRKRL DATA SEQUENCE TDRQIQAVYE NMTHMDGIDY GAVWLIGYGG KVNTVDPAAT ALPQRDAILK DATA SEQUENCE VNYITGWANP GNEAKHLTWV RKLYADVYAE TGGVPVPNDV SDGAYINYPD DATA SEQUENCE SDLADPGLNT SGVPWHDLYY KGNHPRLRKV KAAYDPRNHF HHALSIRP 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 26 C HA 0.000 nan 4.460 nan 0.000 0.325 26 C C 0.000 175.003 174.990 0.022 0.000 1.270 26 C CA 0.000 59.032 59.018 0.024 0.000 1.963 26 C CB 0.000 27.755 27.740 0.025 0.000 2.134 27 L N 5.846 127.083 121.223 0.023 0.000 2.346 27 L HA 0.656 4.996 4.340 0.000 0.000 0.274 27 L C -1.820 175.063 176.870 0.021 0.000 1.007 27 L CA -1.325 53.528 54.840 0.021 0.000 0.818 27 L CB 1.930 44.001 42.059 0.020 0.000 1.284 27 L HN 0.563 nan 8.230 nan 0.000 0.424 28 P HA 0.263 nan 4.420 nan 0.000 0.272 28 P C -2.426 174.886 177.300 0.020 0.000 1.223 28 P CA -0.830 62.282 63.100 0.020 0.000 0.784 28 P CB -0.307 31.404 31.700 0.018 0.000 0.923 29 P HA 0.189 nan 4.420 nan 0.000 0.274 29 P C -0.820 176.494 177.300 0.023 0.000 1.237 29 P CA -0.461 62.652 63.100 0.021 0.000 0.793 29 P CB 0.451 32.163 31.700 0.020 0.000 0.977 30 A N 1.856 124.690 122.820 0.024 0.000 2.548 30 A HA 0.419 4.739 4.320 0.000 0.000 0.247 30 A C 1.069 178.673 177.584 0.033 0.000 1.067 30 A CA 0.509 52.562 52.037 0.026 0.000 0.757 30 A CB -0.809 18.206 19.000 0.026 0.000 0.996 30 A HN 0.700 nan 8.150 nan 0.000 0.504 31 G N 2.163 110.983 108.800 0.033 0.000 2.563 31 G HA2 0.580 4.541 3.960 0.000 0.000 0.283 31 G HA3 0.580 4.541 3.960 0.000 0.000 0.283 31 G C -2.559 172.375 174.900 0.057 0.000 1.309 31 G CA -1.213 43.911 45.100 0.040 0.000 1.022 31 G HN 0.629 nan 8.290 nan 0.000 0.501 32 P HA 0.342 nan 4.420 nan 0.000 0.290 32 P C -0.774 176.568 177.300 0.070 0.000 1.276 32 P CA -0.298 62.879 63.100 0.128 0.000 0.808 32 P CB 1.814 33.638 31.700 0.207 0.000 0.966 33 V N 3.033 122.982 119.914 0.060 0.000 2.487 33 V HA 0.446 4.566 4.120 0.000 0.000 0.298 33 V C -0.474 175.535 176.094 -0.142 0.000 1.028 33 V CA -1.010 61.271 62.300 -0.031 0.000 0.860 33 V CB 1.554 33.376 31.823 -0.002 0.000 0.991 33 V HN 0.490 nan 8.190 nan 0.000 0.427 34 K N 5.476 125.715 120.400 -0.269 0.000 2.263 34 K HA 0.586 4.907 4.320 0.000 0.000 0.282 34 K C -1.156 175.369 176.600 -0.125 0.000 1.089 34 K CA -0.505 55.558 56.287 -0.372 0.000 0.907 34 K CB 1.229 33.370 32.500 -0.599 0.000 1.148 34 K HN 0.683 nan 8.250 nan 0.000 0.470 35 V N 5.347 125.288 119.914 0.045 0.000 2.320 35 V HA 0.128 4.248 4.120 0.000 0.000 0.265 35 V C 0.379 176.603 176.094 0.217 0.000 1.048 35 V CA -0.725 61.647 62.300 0.120 0.000 0.865 35 V CB 0.462 32.378 31.823 0.156 0.000 1.043 35 V HN 0.937 nan 8.190 nan 0.000 0.474 36 T N 3.149 117.750 114.554 0.079 0.000 2.847 36 T HA 0.351 4.701 4.350 0.000 0.000 0.279 36 T C -1.791 172.774 174.700 -0.224 0.000 0.984 36 T CA -1.988 60.107 62.100 -0.008 0.000 0.988 36 T CB 1.467 70.299 68.868 -0.061 0.000 1.040 36 T HN 0.325 nan 8.240 nan 0.000 0.528 37 P HA -0.088 nan 4.420 nan 0.000 0.221 37 P C 1.062 178.118 177.300 -0.407 0.000 1.145 37 P CA 0.931 63.382 63.100 -1.083 0.000 0.795 37 P CB -0.040 31.176 31.700 -0.806 0.000 0.775 38 D N -1.944 118.330 120.400 -0.210 0.000 2.289 38 D HA -0.073 4.567 4.640 0.000 0.000 0.207 38 D C 0.609 176.888 176.300 -0.035 0.000 0.966 38 D CA 0.439 54.382 54.000 -0.094 0.000 0.868 38 D CB -0.964 39.790 40.800 -0.076 0.000 0.943 38 D HN 0.134 nan 8.370 nan 0.000 0.514 39 D N 1.798 122.190 120.400 -0.014 0.000 2.389 39 D HA 0.011 4.651 4.640 0.000 0.000 0.247 39 D C -1.234 175.106 176.300 0.067 0.000 1.128 39 D CA -1.506 52.511 54.000 0.028 0.000 0.884 39 D CB 2.116 42.943 40.800 0.044 0.000 1.194 39 D HN -0.097 nan 8.370 nan 0.000 0.441 40 P HA -0.132 nan 4.420 nan 0.000 0.220 40 P C 0.835 178.175 177.300 0.066 0.000 1.144 40 P CA 0.949 64.079 63.100 0.050 0.000 0.800 40 P CB 0.259 31.977 31.700 0.029 0.000 0.772 41 R N -2.187 118.359 120.500 0.076 0.000 2.275 41 R HA -0.022 4.318 4.340 0.000 0.000 0.199 41 R C 2.334 178.687 176.300 0.087 0.000 0.989 41 R CA 0.185 56.324 56.100 0.065 0.000 1.016 41 R CB -0.737 29.593 30.300 0.051 0.000 0.918 41 R HN 0.185 nan 8.270 nan 0.000 0.473 42 Y N 1.513 121.818 120.300 0.010 0.000 2.128 42 Y HA -0.234 4.317 4.550 0.000 0.000 0.284 42 Y C 1.786 177.691 175.900 0.009 0.000 1.154 42 Y CA 1.599 59.708 58.100 0.015 0.000 1.149 42 Y CB -0.127 38.344 38.460 0.018 0.000 0.976 42 Y HN -0.049 nan 8.280 nan 0.000 0.505 43 L N -0.077 121.171 121.223 0.042 0.000 2.056 43 L HA -0.231 4.109 4.340 0.000 0.000 0.207 43 L C 2.172 178.981 176.870 -0.102 0.000 1.078 43 L CA 1.234 56.044 54.840 -0.051 0.000 0.749 43 L CB -0.628 41.465 42.059 0.056 0.000 0.901 43 L HN 0.231 nan 8.230 nan 0.000 0.433 44 N N -0.180 118.484 118.700 -0.059 0.000 2.036 44 N HA -0.201 4.539 4.740 0.000 0.000 0.195 44 N C 1.674 177.127 175.510 -0.096 0.000 1.037 44 N CA 1.291 54.304 53.050 -0.062 0.000 0.855 44 N CB -0.430 38.038 38.487 -0.032 0.000 1.033 44 N HN 0.058 nan 8.380 nan 0.000 0.423 45 L N 1.500 122.654 121.223 -0.115 0.000 2.046 45 L HA -0.059 4.281 4.340 0.000 0.000 0.208 45 L C 2.158 178.913 176.870 -0.192 0.000 1.077 45 L CA 1.440 56.203 54.840 -0.129 0.000 0.747 45 L CB -1.133 40.864 42.059 -0.103 0.000 0.896 45 L HN 0.253 nan 8.230 nan 0.000 0.432 46 K N -0.346 119.857 120.400 -0.328 0.000 2.152 46 K HA -0.137 4.183 4.320 0.000 0.000 0.206 46 K C 1.531 178.022 176.600 -0.183 0.000 1.048 46 K CA 1.127 57.213 56.287 -0.335 0.000 0.933 46 K CB 0.023 32.201 32.500 -0.536 0.000 0.721 46 K HN 0.293 nan 8.250 nan 0.000 0.447 47 L N 0.940 122.073 121.223 -0.150 0.000 2.700 47 L HA 0.167 4.508 4.340 0.000 0.000 0.234 47 L C 1.655 178.461 176.870 -0.107 0.000 1.156 47 L CA -0.220 54.555 54.840 -0.109 0.000 0.946 47 L CB 0.160 42.165 42.059 -0.090 0.000 1.216 47 L HN 0.151 nan 8.230 nan 0.000 0.493 48 R N 0.077 120.511 120.500 -0.109 0.000 2.300 48 R HA 0.158 4.498 4.340 0.000 0.000 0.199 48 R C 0.985 177.207 176.300 -0.130 0.000 0.920 48 R CA 0.199 56.236 56.100 -0.105 0.000 1.046 48 R CB -0.207 30.043 30.300 -0.084 0.000 0.984 48 R HN 0.098 nan 8.270 nan 0.000 0.493 49 G N 0.394 109.116 108.800 -0.130 0.000 2.391 49 G HA2 0.211 4.171 3.960 0.000 0.000 0.234 49 G HA3 0.211 4.171 3.960 0.000 0.000 0.234 49 G C 0.796 175.555 174.900 -0.236 0.000 1.284 49 G CA 0.034 45.034 45.100 -0.166 0.000 0.873 49 G HN 0.332 nan 8.290 nan 0.000 0.549 50 A N 2.144 124.732 122.820 -0.388 0.000 1.968 50 A HA -0.007 4.313 4.320 0.000 0.000 0.217 50 A C 1.407 178.784 177.584 -0.346 0.000 1.169 50 A CA 0.950 52.701 52.037 -0.476 0.000 0.638 50 A CB -0.228 18.209 19.000 -0.939 0.000 0.812 50 A HN 0.702 nan 8.150 nan 0.000 0.446 51 N N -0.034 118.490 118.700 -0.295 0.000 2.439 51 N HA 0.236 4.976 4.740 0.000 0.000 0.249 51 N C 0.913 176.205 175.510 -0.363 0.000 1.003 51 N CA 0.348 53.193 53.050 -0.342 0.000 0.942 51 N CB 0.787 39.086 38.487 -0.314 0.000 1.115 51 N HN 0.233 nan 8.380 nan 0.000 0.505 52 S N 3.239 118.718 115.700 -0.368 0.000 2.555 52 S HA -0.026 4.444 4.470 0.000 0.000 0.230 52 S C 1.568 175.985 174.600 -0.304 0.000 0.978 52 S CA 0.121 58.149 58.200 -0.287 0.000 0.934 52 S CB -0.011 63.046 63.200 -0.239 0.000 0.766 52 S HN 0.596 nan 8.310 nan 0.000 0.533 53 R N 0.383 120.578 120.500 -0.508 0.000 2.105 53 R HA 0.030 4.371 4.340 0.000 0.000 0.239 53 R C -0.170 175.942 176.300 -0.312 0.000 1.135 53 R CA 0.924 56.744 56.100 -0.467 0.000 0.967 53 R CB -0.329 29.504 30.300 -0.778 0.000 0.861 53 R HN 0.513 nan 8.270 nan 0.000 0.442 54 F N 0.952 120.878 119.950 -0.040 0.000 2.408 54 F HA 0.272 4.799 4.527 0.000 0.000 0.344 54 F C 0.048 175.817 175.800 -0.052 0.000 1.112 54 F CA -1.032 56.942 58.000 -0.043 0.000 1.096 54 F CB 1.030 39.986 39.000 -0.074 0.000 1.129 54 F HN -0.148 nan 8.300 nan 0.000 0.486 55 N N 0.733 119.521 118.700 0.146 0.000 2.229 55 N HA 0.733 5.474 4.740 0.000 0.000 0.298 55 N C -0.539 175.004 175.510 0.054 0.000 1.114 55 N CA -0.727 52.361 53.050 0.064 0.000 0.776 55 N CB 2.255 40.765 38.487 0.039 0.000 1.501 55 N HN 0.755 nan 8.380 nan 0.000 0.474 56 G N -0.323 108.491 108.800 0.023 0.000 2.733 56 G HA2 0.573 4.533 3.960 0.000 0.000 0.288 56 G HA3 0.573 4.533 3.960 0.000 0.000 0.288 56 G C -1.199 173.720 174.900 0.032 0.000 1.373 56 G CA -0.330 44.781 45.100 0.018 0.000 0.895 56 G HN 0.434 nan 8.290 nan 0.000 0.479 57 E N 1.058 121.290 120.200 0.054 0.000 3.626 57 E HA 0.308 4.658 4.350 0.000 0.000 0.245 57 E C -2.344 174.338 176.600 0.137 0.000 1.236 57 E CA -1.270 55.205 56.400 0.125 0.000 1.072 57 E CB 1.385 31.154 29.700 0.114 0.000 1.309 57 E HN 0.310 nan 8.360 nan 0.000 0.400 58 P HA -0.021 nan 4.420 nan 0.000 0.266 58 P C 0.132 177.524 177.300 0.152 0.000 1.193 58 P CA 0.058 63.208 63.100 0.084 0.000 0.770 58 P CB 0.991 32.714 31.700 0.039 0.000 0.836 59 D N 0.482 120.912 120.400 0.050 0.000 2.221 59 D HA -0.094 4.546 4.640 0.000 0.000 0.204 59 D C 0.704 177.145 176.300 0.234 0.000 0.982 59 D CA 1.944 56.004 54.000 0.099 0.000 0.857 59 D CB -0.203 40.658 40.800 0.102 0.000 0.934 59 D HN 0.621 nan 8.370 nan 0.000 0.475 60 Y N -2.668 117.713 120.300 0.136 0.000 2.732 60 Y HA 0.503 5.053 4.550 0.000 0.000 0.342 60 Y C -1.800 174.197 175.900 0.161 0.000 1.203 60 Y CA -1.364 56.832 58.100 0.161 0.000 1.092 60 Y CB 0.634 39.127 38.460 0.055 0.000 1.345 60 Y HN -0.305 nan 8.280 nan 0.000 0.458 61 I N 1.956 122.739 120.570 0.354 0.000 2.465 61 I HA 0.329 4.499 4.170 0.000 0.000 0.291 61 I C -1.188 175.114 176.117 0.308 0.000 1.014 61 I CA -0.691 60.733 61.300 0.205 0.000 1.093 61 I CB 2.020 40.072 38.000 0.088 0.000 1.267 61 I HN 0.807 nan 8.210 nan 0.000 0.431 62 H N 6.352 125.544 119.070 0.203 0.000 2.638 62 H HA 0.501 5.057 4.556 0.000 0.000 0.303 62 H C -1.022 174.377 175.328 0.118 0.000 1.034 62 H CA -0.655 55.525 56.048 0.220 0.000 1.225 62 H CB 0.972 30.903 29.762 0.282 0.000 1.394 62 H HN 0.436 nan 8.280 nan 0.000 0.477 63 L N 6.282 127.670 121.223 0.275 0.000 2.290 63 L HA 0.289 4.629 4.340 0.000 0.000 0.284 63 L C -0.467 176.530 176.870 0.212 0.000 1.078 63 L CA -0.715 54.232 54.840 0.179 0.000 0.815 63 L CB 0.940 43.063 42.059 0.105 0.000 1.162 63 L HN 0.404 nan 8.230 nan 0.000 0.435 64 V N -0.268 119.724 119.914 0.131 0.000 2.656 64 V HA 0.750 4.870 4.120 0.000 0.000 0.307 64 V C 0.338 176.462 176.094 0.050 0.000 1.051 64 V CA -0.356 61.997 62.300 0.089 0.000 0.893 64 V CB 1.481 33.321 31.823 0.029 0.000 0.999 64 V HN 0.748 nan 8.190 nan 0.000 0.426 65 G N 2.109 110.934 108.800 0.042 0.000 3.377 65 G HA2 0.551 4.511 3.960 0.000 0.000 0.257 65 G HA3 0.551 4.511 3.960 0.000 0.000 0.257 65 G C 0.275 175.184 174.900 0.014 0.000 1.038 65 G CA 0.553 45.670 45.100 0.027 0.000 0.809 65 G HN 1.385 nan 8.290 nan 0.000 0.526 66 S N -2.415 113.291 115.700 0.009 0.000 2.615 66 S HA 0.440 4.911 4.470 0.000 0.000 0.269 66 S C 0.753 175.347 174.600 -0.010 0.000 1.161 66 S CA 0.228 58.428 58.200 -0.000 0.000 0.817 66 S CB 1.197 64.402 63.200 0.009 0.000 1.131 66 S HN -0.144 nan 8.310 nan 0.000 0.467 67 T N 1.239 115.784 114.554 -0.015 0.000 2.708 67 T HA -0.136 4.214 4.350 0.000 0.000 0.266 67 T C 1.769 176.463 174.700 -0.010 0.000 1.037 67 T CA 2.203 64.290 62.100 -0.021 0.000 1.146 67 T CB -0.575 68.283 68.868 -0.017 0.000 0.865 67 T HN 0.663 nan 8.240 nan 0.000 0.435 68 Q N 1.221 121.021 119.800 0.000 0.000 2.135 68 Q HA -0.123 4.218 4.340 0.000 0.000 0.204 68 Q C 2.249 178.250 176.000 0.001 0.000 0.981 68 Q CA 1.695 57.501 55.803 0.005 0.000 0.856 68 Q CB -0.361 28.384 28.738 0.012 0.000 0.902 68 Q HN 0.604 nan 8.270 nan 0.000 0.425 69 Q N -1.142 118.659 119.800 0.002 0.000 2.124 69 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 69 Q C 2.074 178.041 176.000 -0.055 0.000 0.977 69 Q CA 1.540 57.340 55.803 -0.005 0.000 0.850 69 Q CB 0.017 28.768 28.738 0.022 0.000 0.901 69 Q HN 0.264 nan 8.270 nan 0.000 0.429 70 V N 1.143 121.031 119.914 -0.043 0.000 2.295 70 V HA -0.313 3.808 4.120 0.000 0.000 0.246 70 V C 2.346 178.422 176.094 -0.029 0.000 1.049 70 V CA 1.848 64.119 62.300 -0.049 0.000 1.024 70 V CB -1.148 30.658 31.823 -0.027 0.000 0.648 70 V HN 0.410 nan 8.190 nan 0.000 0.447 71 A N 0.339 123.153 122.820 -0.010 0.000 1.873 71 A HA -0.316 4.004 4.320 0.000 0.000 0.218 71 A C 1.967 179.550 177.584 -0.001 0.000 1.193 71 A CA 2.457 54.498 52.037 0.006 0.000 0.629 71 A CB -0.783 18.221 19.000 0.008 0.000 0.826 71 A HN 0.570 nan 8.150 nan 0.000 0.447 72 D N -0.244 120.149 120.400 -0.012 0.000 2.144 72 D HA 0.037 4.678 4.640 0.000 0.000 0.200 72 D C 2.216 178.504 176.300 -0.021 0.000 0.978 72 D CA 1.426 55.425 54.000 -0.002 0.000 0.833 72 D CB -0.535 40.274 40.800 0.015 0.000 0.961 72 D HN 0.438 nan 8.370 nan 0.000 0.470 73 A N 0.568 123.311 122.820 -0.128 0.000 1.908 73 A HA -0.144 4.176 4.320 0.000 0.000 0.218 73 A C 2.470 180.038 177.584 -0.027 0.000 1.181 73 A CA 1.199 53.086 52.037 -0.250 0.000 0.627 73 A CB -0.747 17.910 19.000 -0.571 0.000 0.818 73 A HN 0.157 nan 8.150 nan 0.000 0.445 74 V N -0.009 119.907 119.914 0.002 0.000 2.379 74 V HA -0.211 3.909 4.120 0.000 0.000 0.245 74 V C 2.374 178.465 176.094 -0.005 0.000 1.044 74 V CA 2.135 64.469 62.300 0.057 0.000 1.036 74 V CB -0.662 31.233 31.823 0.119 0.000 0.664 74 V HN 0.635 nan 8.190 nan 0.000 0.453 75 E N -0.394 119.801 120.200 -0.007 0.000 2.150 75 E HA -0.244 4.106 4.350 0.000 0.000 0.193 75 E C 2.182 178.793 176.600 0.019 0.000 0.985 75 E CA 1.051 57.438 56.400 -0.021 0.000 0.814 75 E CB -0.027 29.671 29.700 -0.004 0.000 0.752 75 E HN 0.650 nan 8.360 nan 0.000 0.466 76 E N 0.396 120.636 120.200 0.066 0.000 2.110 76 E HA -0.168 4.182 4.350 0.000 0.000 0.193 76 E C 2.129 178.812 176.600 0.139 0.000 0.988 76 E CA 1.714 58.184 56.400 0.117 0.000 0.804 76 E CB 0.081 29.894 29.700 0.188 0.000 0.745 76 E HN 0.287 nan 8.360 nan 0.000 0.458 77 T N -1.928 112.713 114.554 0.145 0.000 2.881 77 T HA -0.088 4.262 4.350 0.000 0.000 0.270 77 T C 1.913 176.721 174.700 0.181 0.000 1.068 77 T CA 1.092 63.286 62.100 0.156 0.000 1.131 77 T CB -0.314 68.648 68.868 0.158 0.000 0.871 77 T HN -0.010 nan 8.240 nan 0.000 0.479 78 V N 1.572 121.535 119.914 0.083 0.000 2.307 78 V HA -0.061 4.059 4.120 0.000 0.000 0.245 78 V C 3.040 179.158 176.094 0.040 0.000 1.045 78 V CA 1.751 64.056 62.300 0.009 0.000 1.024 78 V CB -0.591 31.140 31.823 -0.154 0.000 0.651 78 V HN 0.433 nan 8.190 nan 0.000 0.449 79 R N 0.272 120.794 120.500 0.038 0.000 2.115 79 R HA -0.103 4.237 4.340 0.000 0.000 0.230 79 R C 2.291 178.621 176.300 0.050 0.000 1.111 79 R CA 1.808 57.931 56.100 0.038 0.000 0.976 79 R CB -0.418 29.904 30.300 0.036 0.000 0.870 79 R HN 0.733 nan 8.270 nan 0.000 0.445 80 T N -3.893 110.703 114.554 0.070 0.000 3.057 80 T HA 0.159 4.509 4.350 0.000 0.000 0.254 80 T C 1.369 176.106 174.700 0.061 0.000 1.094 80 T CA 0.489 62.631 62.100 0.070 0.000 1.088 80 T CB 0.714 69.640 68.868 0.098 0.000 0.934 80 T HN 0.338 nan 8.240 nan 0.000 0.497 81 G N 1.858 110.699 108.800 0.068 0.000 2.160 81 G HA2 -0.263 3.697 3.960 0.000 0.000 0.251 81 G HA3 -0.263 3.697 3.960 0.000 0.000 0.251 81 G C -0.156 174.761 174.900 0.028 0.000 1.008 81 G CA 0.109 45.243 45.100 0.056 0.000 0.724 81 G HN 0.653 nan 8.290 nan 0.000 0.514 82 K N 0.057 120.473 120.400 0.026 0.000 2.258 82 K HA 0.386 4.706 4.320 0.000 0.000 0.284 82 K C 0.759 177.304 176.600 -0.091 0.000 1.051 82 K CA -0.824 55.450 56.287 -0.021 0.000 0.923 82 K CB 0.983 33.473 32.500 -0.016 0.000 1.046 82 K HN 0.299 nan 8.250 nan 0.000 0.474 83 R N 2.443 122.873 120.500 -0.117 0.000 2.502 83 R HA 0.028 4.368 4.340 0.000 0.000 0.292 83 R C -0.660 175.498 176.300 -0.237 0.000 0.998 83 R CA 0.007 55.985 56.100 -0.203 0.000 1.056 83 R CB 0.299 30.514 30.300 -0.142 0.000 0.939 83 R HN 0.399 nan 8.270 nan 0.000 0.411 84 V N 3.870 123.581 119.914 -0.338 0.000 2.630 84 V HA 0.859 4.980 4.120 0.000 0.000 0.305 84 V C -0.815 175.168 176.094 -0.187 0.000 1.046 84 V CA -0.010 62.148 62.300 -0.236 0.000 0.934 84 V CB 1.640 33.342 31.823 -0.203 0.000 1.003 84 V HN 1.028 nan 8.190 nan 0.000 0.451 85 A N 4.900 127.668 122.820 -0.087 0.000 2.515 85 A HA 0.809 5.130 4.320 0.000 0.000 0.298 85 A C -1.178 176.420 177.584 0.023 0.000 1.059 85 A CA -0.535 51.488 52.037 -0.022 0.000 0.698 85 A CB 1.926 20.897 19.000 -0.047 0.000 1.289 85 A HN 0.856 nan 8.150 nan 0.000 0.404 86 V N 1.706 121.658 119.914 0.063 0.000 2.567 86 V HA 0.596 4.716 4.120 0.000 0.000 0.289 86 V C 0.490 176.600 176.094 0.026 0.000 1.049 86 V CA -0.421 61.912 62.300 0.054 0.000 0.969 86 V CB 1.361 33.224 31.823 0.066 0.000 0.995 86 V HN 0.898 nan 8.190 nan 0.000 0.471 87 R N 2.450 122.960 120.500 0.017 0.000 2.513 87 R HA 0.564 4.904 4.340 0.000 0.000 0.301 87 R C -0.117 176.191 176.300 0.013 0.000 0.968 87 R CA -0.236 55.867 56.100 0.004 0.000 0.872 87 R CB 2.066 32.356 30.300 -0.016 0.000 1.177 87 R HN 0.829 nan 8.270 nan 0.000 0.444 88 S N 1.853 117.565 115.700 0.019 0.000 2.860 88 S HA 0.166 4.636 4.470 0.000 0.000 0.181 88 S C 1.283 175.895 174.600 0.020 0.000 0.763 88 S CA 0.378 58.594 58.200 0.026 0.000 0.829 88 S CB 0.101 63.330 63.200 0.049 0.000 0.793 88 S HN 0.795 nan 8.310 nan 0.000 0.614 89 G N -0.238 108.583 108.800 0.035 0.000 2.838 89 G HA2 0.394 4.354 3.960 0.000 0.000 0.210 89 G HA3 0.394 4.354 3.960 0.000 0.000 0.210 89 G C 0.937 175.860 174.900 0.039 0.000 1.153 89 G CA 0.442 45.573 45.100 0.052 0.000 0.778 89 G HN 1.012 nan 8.290 nan 0.000 0.539 90 G N -0.067 108.727 108.800 -0.010 0.000 2.179 90 G HA2 -0.300 3.660 3.960 0.000 0.000 0.257 90 G HA3 -0.300 3.660 3.960 0.000 0.000 0.257 90 G C 0.782 175.564 174.900 -0.196 0.000 1.010 90 G CA 0.553 45.598 45.100 -0.093 0.000 0.736 90 G HN 0.569 nan 8.290 nan 0.000 0.513 91 H N -1.030 117.961 119.070 -0.132 0.000 2.539 91 H HA 0.122 4.678 4.556 0.000 0.000 0.267 91 H C 1.765 176.895 175.328 -0.329 0.000 0.982 91 H CA 0.441 56.355 56.048 -0.224 0.000 1.146 91 H CB -0.002 29.648 29.762 -0.187 0.000 1.382 91 H HN 0.482 nan 8.280 nan 0.000 0.577 92 C N 1.652 120.845 119.300 -0.177 0.000 2.298 92 C HA -0.189 4.271 4.460 0.000 0.000 0.395 92 C C 1.729 176.562 174.990 -0.260 0.000 1.526 92 C CA 0.011 58.891 59.018 -0.231 0.000 1.458 92 C CB -1.774 25.796 27.740 -0.282 0.000 2.506 92 C HN 0.386 nan 8.230 nan 0.000 0.604 93 F N 1.961 121.853 119.950 -0.097 0.000 2.604 93 F HA 0.099 4.627 4.527 0.000 0.000 0.298 93 F C 1.698 177.458 175.800 -0.066 0.000 1.131 93 F CA 1.067 59.069 58.000 0.004 0.000 1.457 93 F CB -0.088 38.922 39.000 0.015 0.000 1.095 93 F HN 0.627 nan 8.300 nan 0.000 0.574 94 E N -0.111 119.797 120.200 -0.486 0.000 2.316 94 E HA 0.097 4.447 4.350 0.000 0.000 0.258 94 E C 0.002 175.686 176.600 -1.527 0.000 0.952 94 E CA -0.228 55.578 56.400 -0.989 0.000 0.818 94 E CB 0.802 29.735 29.700 -1.279 0.000 1.260 94 E HN 0.015 nan 8.360 nan 0.000 0.416 95 D N 0.176 119.752 120.400 -1.374 0.000 2.504 95 D HA -0.029 4.611 4.640 0.000 0.000 0.243 95 D C 0.772 176.883 176.300 -0.316 0.000 1.203 95 D CA 0.046 53.428 54.000 -1.029 0.000 0.847 95 D CB -0.416 40.022 40.800 -0.603 0.000 0.973 95 D HN 0.098 nan 8.370 nan 0.000 0.490 96 F N 0.268 119.934 119.950 -0.472 0.000 2.216 96 F HA -0.095 4.433 4.527 0.000 0.000 0.300 96 F C 2.219 177.866 175.800 -0.254 0.000 1.085 96 F CA 0.364 58.138 58.000 -0.377 0.000 1.326 96 F CB -0.615 38.021 39.000 -0.606 0.000 1.027 96 F HN 0.060 nan 8.300 nan 0.000 0.497 97 V N -1.665 118.219 119.914 -0.049 0.000 2.908 97 V HA 0.040 4.160 4.120 0.000 0.000 0.240 97 V C 0.116 176.171 176.094 -0.065 0.000 1.117 97 V CA 0.523 62.790 62.300 -0.055 0.000 1.133 97 V CB -0.015 31.776 31.823 -0.053 0.000 0.857 97 V HN -0.045 nan 8.190 nan 0.000 0.478 98 D N 3.547 123.900 120.400 -0.079 0.000 2.500 98 D HA 0.299 4.939 4.640 0.000 0.000 0.219 98 D C -0.423 175.871 176.300 -0.010 0.000 1.137 98 D CA 0.241 54.226 54.000 -0.025 0.000 0.946 98 D CB 0.008 40.832 40.800 0.040 0.000 1.022 98 D HN 0.677 nan 8.370 nan 0.000 0.518 99 N N 0.338 119.030 118.700 -0.013 0.000 2.494 99 N HA 0.250 4.990 4.740 0.000 0.000 0.270 99 N C -2.699 172.817 175.510 0.009 0.000 1.285 99 N CA -1.527 51.526 53.050 0.005 0.000 0.812 99 N CB 2.399 40.878 38.487 -0.012 0.000 1.557 99 N HN -0.288 nan 8.380 nan 0.000 0.487 100 P HA -0.028 nan 4.420 nan 0.000 0.226 100 P C 0.131 177.437 177.300 0.010 0.000 1.146 100 P CA 1.054 64.167 63.100 0.022 0.000 0.773 100 P CB 0.179 31.896 31.700 0.028 0.000 0.772 101 D N -1.570 118.831 120.400 0.002 0.000 2.346 101 D HA 0.023 4.663 4.640 0.000 0.000 0.206 101 D C 0.404 176.683 176.300 -0.034 0.000 1.001 101 D CA 0.325 54.321 54.000 -0.007 0.000 0.871 101 D CB 0.179 40.982 40.800 0.004 0.000 0.943 101 D HN 0.004 nan 8.370 nan 0.000 0.518 102 V N 1.645 121.531 119.914 -0.047 0.000 2.479 102 V HA 0.002 4.122 4.120 0.000 0.000 0.281 102 V C 1.225 177.277 176.094 -0.070 0.000 1.031 102 V CA 0.496 62.750 62.300 -0.077 0.000 1.038 102 V CB 1.463 33.240 31.823 -0.076 0.000 0.981 102 V HN -0.115 nan 8.190 nan 0.000 0.478 103 K N 3.293 123.633 120.400 -0.100 0.000 2.365 103 K HA 0.290 4.610 4.320 0.000 0.000 0.195 103 K C -0.196 176.280 176.600 -0.206 0.000 1.079 103 K CA 0.358 56.582 56.287 -0.105 0.000 0.979 103 K CB 0.869 33.324 32.500 -0.076 0.000 0.929 103 K HN 0.507 nan 8.250 nan 0.000 0.523 104 V N 1.932 121.695 119.914 -0.252 0.000 2.487 104 V HA 0.356 4.477 4.120 0.000 0.000 0.298 104 V C -0.957 175.023 176.094 -0.190 0.000 1.028 104 V CA -0.982 61.089 62.300 -0.381 0.000 0.860 104 V CB 1.650 33.205 31.823 -0.447 0.000 0.991 104 V HN -0.010 nan 8.190 nan 0.000 0.427 105 I N 5.479 125.968 120.570 -0.134 0.000 2.315 105 I HA 0.388 4.558 4.170 0.000 0.000 0.291 105 I C 0.089 176.213 176.117 0.012 0.000 1.006 105 I CA -0.069 61.200 61.300 -0.051 0.000 1.265 105 I CB 1.320 39.296 38.000 -0.040 0.000 1.387 105 I HN 0.424 nan 8.210 nan 0.000 0.475 106 I N 5.935 126.525 120.570 0.034 0.000 2.291 106 I HA 0.139 4.310 4.170 0.000 0.000 0.292 106 I C 0.010 176.161 176.117 0.056 0.000 1.064 106 I CA -0.174 61.169 61.300 0.072 0.000 1.269 106 I CB 0.332 38.369 38.000 0.060 0.000 1.418 106 I HN 0.465 nan 8.210 nan 0.000 0.485 107 D N 7.746 128.190 120.400 0.072 0.000 2.274 107 D HA 0.211 4.851 4.640 0.000 0.000 0.239 107 D C 0.386 176.713 176.300 0.044 0.000 1.104 107 D CA -0.401 53.627 54.000 0.046 0.000 0.840 107 D CB 1.336 42.161 40.800 0.042 0.000 1.100 107 D HN 0.341 nan 8.370 nan 0.000 0.477 108 M N 2.484 122.100 119.600 0.026 0.000 2.453 108 M HA 0.036 4.516 4.480 0.000 0.000 0.239 108 M C 1.723 178.032 176.300 0.015 0.000 1.151 108 M CA -0.086 55.224 55.300 0.018 0.000 0.989 108 M CB -0.627 31.979 32.600 0.010 0.000 1.548 108 M HN 0.204 nan 8.290 nan 0.000 0.479 109 S N 1.398 117.109 115.700 0.017 0.000 2.407 109 S HA -0.088 4.382 4.470 0.000 0.000 0.235 109 S C 1.807 176.415 174.600 0.014 0.000 1.036 109 S CA 1.219 59.427 58.200 0.013 0.000 1.013 109 S CB -0.206 63.001 63.200 0.012 0.000 0.820 109 S HN 0.533 nan 8.310 nan 0.000 0.476 110 L N 0.361 121.595 121.223 0.019 0.000 2.509 110 L HA 0.206 4.546 4.340 0.000 0.000 0.222 110 L C 0.124 177.001 176.870 0.011 0.000 1.123 110 L CA 0.229 55.080 54.840 0.019 0.000 0.856 110 L CB -0.184 41.892 42.059 0.027 0.000 0.985 110 L HN 0.168 nan 8.230 nan 0.000 0.456 111 L N 1.401 122.626 121.223 0.004 0.000 2.358 111 L HA 0.138 4.478 4.340 0.000 0.000 0.274 111 L C 0.813 177.678 176.870 -0.008 0.000 1.136 111 L CA -0.051 54.783 54.840 -0.010 0.000 0.970 111 L CB 0.161 42.205 42.059 -0.026 0.000 1.314 111 L HN 0.128 nan 8.230 nan 0.000 0.427 112 T N -2.957 111.597 114.554 -0.000 0.000 3.231 112 T HA 0.093 4.443 4.350 0.000 0.000 0.292 112 T C 0.303 175.013 174.700 0.017 0.000 1.001 112 T CA -0.581 61.523 62.100 0.007 0.000 0.920 112 T CB 0.111 68.986 68.868 0.012 0.000 1.140 112 T HN 0.375 nan 8.240 nan 0.000 0.525 113 E N 1.714 121.920 120.200 0.010 0.000 2.465 113 E HA 0.263 4.613 4.350 0.000 0.000 0.260 113 E C -0.762 175.863 176.600 0.042 0.000 0.980 113 E CA 0.195 56.611 56.400 0.027 0.000 0.927 113 E CB 0.164 29.867 29.700 0.005 0.000 0.934 113 E HN 0.564 nan 8.360 nan 0.000 0.459 114 I N 4.082 124.712 120.570 0.100 0.000 2.468 114 I HA 0.592 4.762 4.170 0.000 0.000 0.284 114 I C -0.712 175.557 176.117 0.254 0.000 1.038 114 I CA -0.529 60.861 61.300 0.150 0.000 1.083 114 I CB 1.488 39.590 38.000 0.171 0.000 1.223 114 I HN 0.613 nan 8.210 nan 0.000 0.443 115 A N 4.890 127.845 122.820 0.226 0.000 2.594 115 A HA 0.549 4.869 4.320 0.000 0.000 0.295 115 A C -1.605 176.066 177.584 0.144 0.000 1.071 115 A CA -0.532 51.671 52.037 0.276 0.000 0.685 115 A CB 1.178 20.299 19.000 0.202 0.000 1.285 115 A HN 0.563 nan 8.150 nan 0.000 0.405 116 Y N 1.624 121.884 120.300 -0.066 0.000 2.526 116 Y HA 0.379 4.929 4.550 0.000 0.000 0.330 116 Y C -0.205 175.621 175.900 -0.124 0.000 1.156 116 Y CA 0.372 58.227 58.100 -0.410 0.000 1.419 116 Y CB 0.626 38.794 38.460 -0.487 0.000 1.250 116 Y HN 0.617 nan 8.280 nan 0.000 0.540 117 D N 8.835 128.687 120.400 -0.913 0.000 2.460 117 D HA 0.301 4.941 4.640 0.000 0.000 0.232 117 D C -2.149 173.573 176.300 -0.963 0.000 1.079 117 D CA -2.609 51.043 54.000 -0.579 0.000 0.864 117 D CB 1.791 42.587 40.800 -0.008 0.000 1.048 117 D HN 0.312 nan 8.370 nan 0.000 0.523 118 P HA -0.173 nan 4.420 nan 0.000 0.215 118 P C 1.441 178.591 177.300 -0.250 0.000 1.157 118 P CA 1.366 64.208 63.100 -0.430 0.000 0.868 118 P CB 0.116 31.748 31.700 -0.114 0.000 0.788 119 S N -1.798 113.781 115.700 -0.202 0.000 2.419 119 S HA -0.095 4.375 4.470 0.000 0.000 0.233 119 S C 1.715 176.190 174.600 -0.209 0.000 1.016 119 S CA 1.208 59.315 58.200 -0.155 0.000 0.974 119 S CB -0.954 62.178 63.200 -0.114 0.000 0.786 119 S HN -0.028 nan 8.310 nan 0.000 0.492 120 M N 1.243 120.665 119.600 -0.296 0.000 2.333 120 M HA 0.286 4.766 4.480 0.000 0.000 0.257 120 M C 0.702 176.780 176.300 -0.370 0.000 1.078 120 M CA 0.086 55.161 55.300 -0.375 0.000 1.005 120 M CB -1.056 31.143 32.600 -0.669 0.000 1.444 120 M HN 0.551 nan 8.290 nan 0.000 0.496 121 N N 1.969 120.476 118.700 -0.321 0.000 2.707 121 N HA -0.169 4.571 4.740 0.000 0.000 0.253 121 N C -0.820 174.573 175.510 -0.195 0.000 0.998 121 N CA 0.549 53.478 53.050 -0.201 0.000 0.751 121 N CB -0.142 38.266 38.487 -0.132 0.000 0.920 121 N HN 0.442 nan 8.380 nan 0.000 0.539 122 A N 0.347 123.034 122.820 -0.222 0.000 2.602 122 A HA 0.671 4.991 4.320 0.000 0.000 0.290 122 A C -1.087 176.484 177.584 -0.022 0.000 1.114 122 A CA -0.604 51.404 52.037 -0.049 0.000 0.683 122 A CB 0.698 19.745 19.000 0.079 0.000 1.281 122 A HN 0.164 nan 8.150 nan 0.000 0.416 123 F N 0.968 121.011 119.950 0.155 0.000 2.421 123 F HA 0.383 4.910 4.527 0.000 0.000 0.358 123 F C 0.561 176.423 175.800 0.103 0.000 1.115 123 F CA 0.042 58.074 58.000 0.053 0.000 1.160 123 F CB 1.100 40.055 39.000 -0.075 0.000 1.123 123 F HN 0.472 nan 8.300 nan 0.000 0.508 124 L N 5.608 126.932 121.223 0.168 0.000 2.410 124 L HA 0.337 4.677 4.340 0.000 0.000 0.273 124 L C -0.556 176.284 176.870 -0.051 0.000 1.152 124 L CA 0.094 54.835 54.840 -0.166 0.000 0.855 124 L CB 0.238 42.173 42.059 -0.205 0.000 1.129 124 L HN 0.533 nan 8.230 nan 0.000 0.463 125 I N 5.011 125.525 120.570 -0.094 0.000 2.503 125 I HA 0.233 4.403 4.170 0.000 0.000 0.282 125 I C -0.339 175.766 176.117 -0.021 0.000 1.059 125 I CA -0.578 60.721 61.300 -0.001 0.000 1.081 125 I CB 1.689 39.725 38.000 0.061 0.000 1.210 125 I HN 0.610 nan 8.210 nan 0.000 0.450 126 E N 7.403 127.569 120.200 -0.056 0.000 2.390 126 E HA 0.122 4.472 4.350 0.000 0.000 0.261 126 E C -1.503 175.105 176.600 0.014 0.000 1.076 126 E CA -1.532 54.826 56.400 -0.070 0.000 0.905 126 E CB 0.850 30.501 29.700 -0.083 0.000 0.984 126 E HN 0.362 nan 8.360 nan 0.000 0.427 127 P HA -0.123 nan 4.420 nan 0.000 0.223 127 P C 1.025 178.354 177.300 0.048 0.000 1.151 127 P CA 0.971 64.118 63.100 0.079 0.000 0.787 127 P CB 0.155 31.868 31.700 0.022 0.000 0.788 128 G N -0.424 108.386 108.800 0.016 0.000 2.650 128 G HA2 -0.088 3.872 3.960 0.000 0.000 0.214 128 G HA3 -0.088 3.872 3.960 0.000 0.000 0.214 128 G C 0.848 175.751 174.900 0.005 0.000 1.136 128 G CA -0.156 44.950 45.100 0.011 0.000 0.789 128 G HN 0.255 nan 8.290 nan 0.000 0.536 129 N N 0.906 119.607 118.700 0.003 0.000 2.454 129 N HA 0.062 4.802 4.740 0.000 0.000 0.254 129 N C -0.016 175.469 175.510 -0.041 0.000 1.228 129 N CA 0.576 53.616 53.050 -0.017 0.000 0.900 129 N CB 0.722 39.197 38.487 -0.020 0.000 1.089 129 N HN -0.084 nan 8.380 nan 0.000 0.449 130 T N 1.675 116.189 114.554 -0.066 0.000 2.913 130 T HA 0.228 4.579 4.350 0.000 0.000 0.287 130 T C 1.996 176.579 174.700 -0.196 0.000 1.008 130 T CA -0.545 61.491 62.100 -0.106 0.000 1.067 130 T CB 0.772 69.595 68.868 -0.076 0.000 0.996 130 T HN 0.287 nan 8.240 nan 0.000 0.513 131 L N 1.640 122.686 121.223 -0.296 0.000 2.046 131 L HA -0.123 4.217 4.340 0.000 0.000 0.208 131 L C 2.869 179.366 176.870 -0.622 0.000 1.077 131 L CA 1.123 55.629 54.840 -0.556 0.000 0.747 131 L CB -0.557 41.161 42.059 -0.568 0.000 0.896 131 L HN 0.628 nan 8.230 nan 0.000 0.432 132 S N -0.216 115.322 115.700 -0.271 0.000 2.359 132 S HA -0.252 4.219 4.470 0.000 0.000 0.223 132 S C 1.813 176.372 174.600 -0.069 0.000 1.039 132 S CA 1.697 59.842 58.200 -0.091 0.000 1.042 132 S CB -0.217 62.956 63.200 -0.045 0.000 0.915 132 S HN 0.454 nan 8.310 nan 0.000 0.439 133 E N 0.135 120.285 120.200 -0.083 0.000 2.085 133 E HA -0.135 4.215 4.350 0.000 0.000 0.194 133 E C 2.093 178.678 176.600 -0.025 0.000 0.994 133 E CA 1.329 57.709 56.400 -0.033 0.000 0.801 133 E CB -0.210 29.472 29.700 -0.030 0.000 0.743 133 E HN 0.276 nan 8.360 nan 0.000 0.453 134 V N 0.592 120.430 119.914 -0.126 0.000 2.270 134 V HA -0.265 3.855 4.120 0.000 0.000 0.245 134 V C 1.953 178.058 176.094 0.019 0.000 1.043 134 V CA 1.759 63.994 62.300 -0.109 0.000 1.014 134 V CB -0.622 31.055 31.823 -0.243 0.000 0.645 134 V HN 0.247 nan 8.190 nan 0.000 0.447 135 Y N 0.856 121.181 120.300 0.041 0.000 2.165 135 Y HA -0.167 4.383 4.550 0.000 0.000 0.286 135 Y C 2.678 178.666 175.900 0.147 0.000 1.155 135 Y CA 1.015 59.162 58.100 0.077 0.000 1.164 135 Y CB -0.835 37.622 38.460 -0.005 0.000 0.978 135 Y HN 0.324 nan 8.280 nan 0.000 0.513 136 E N 0.080 120.438 120.200 0.264 0.000 2.051 136 E HA -0.183 4.167 4.350 0.000 0.000 0.192 136 E C 2.184 178.925 176.600 0.235 0.000 0.991 136 E CA 0.868 57.409 56.400 0.235 0.000 0.799 136 E CB -0.213 29.568 29.700 0.135 0.000 0.748 136 E HN 0.309 nan 8.360 nan 0.000 0.449 137 K N 0.605 121.121 120.400 0.192 0.000 2.097 137 K HA -0.086 4.234 4.320 0.000 0.000 0.205 137 K C 2.114 178.890 176.600 0.294 0.000 1.050 137 K CA 0.425 56.826 56.287 0.190 0.000 0.938 137 K CB -0.092 32.524 32.500 0.194 0.000 0.718 137 K HN 0.038 nan 8.250 nan 0.000 0.442 138 L N 0.335 121.765 121.223 0.345 0.000 2.179 138 L HA -0.102 4.238 4.340 0.000 0.000 0.208 138 L C 2.138 179.244 176.870 0.392 0.000 1.096 138 L CA 1.280 56.360 54.840 0.400 0.000 0.779 138 L CB -0.800 41.332 42.059 0.121 0.000 0.922 138 L HN 0.164 nan 8.230 nan 0.000 0.443 139 Y N -0.274 120.145 120.300 0.199 0.000 2.109 139 Y HA -0.198 4.352 4.550 0.000 0.000 0.285 139 Y C 2.306 178.261 175.900 0.092 0.000 1.131 139 Y CA 1.618 59.818 58.100 0.166 0.000 1.121 139 Y CB -0.413 38.200 38.460 0.256 0.000 0.987 139 Y HN 0.057 nan 8.280 nan 0.000 0.495 140 L N -0.808 120.409 121.223 -0.009 0.000 2.046 140 L HA -0.149 4.191 4.340 0.000 0.000 0.208 140 L C 2.612 179.311 176.870 -0.285 0.000 1.077 140 L CA 1.400 56.114 54.840 -0.211 0.000 0.747 140 L CB -1.259 40.733 42.059 -0.113 0.000 0.896 140 L HN 0.394 nan 8.230 nan 0.000 0.432 141 G N -1.206 107.383 108.800 -0.353 0.000 2.404 141 G HA2 -0.211 3.749 3.960 0.000 0.000 0.215 141 G HA3 -0.211 3.749 3.960 0.000 0.000 0.215 141 G C 1.112 175.427 174.900 -0.975 0.000 1.174 141 G CA 0.364 44.873 45.100 -0.985 0.000 0.780 141 G HN 0.422 nan 8.290 nan 0.000 0.537 142 W N -1.276 120.040 121.300 0.028 0.000 1.807 142 W HA 0.242 4.902 4.660 0.000 0.000 0.251 142 W C 0.673 177.193 176.519 0.001 0.000 0.848 142 W CA -0.434 56.938 57.345 0.046 0.000 1.157 142 W CB -0.182 29.370 29.460 0.154 0.000 0.992 142 W HN 0.297 nan 8.180 nan 0.000 0.506 143 N N 1.969 120.759 118.700 0.149 0.000 2.740 143 N HA -0.193 4.547 4.740 0.000 0.000 0.248 143 N C -0.740 174.847 175.510 0.129 0.000 1.062 143 N CA 1.313 54.439 53.050 0.126 0.000 0.704 143 N CB -1.225 37.285 38.487 0.037 0.000 0.968 143 N HN 0.057 nan 8.380 nan 0.000 0.547 144 V N -4.388 115.606 119.914 0.134 0.000 3.155 144 V HA 0.986 5.107 4.120 0.000 0.000 0.313 144 V C 0.487 176.548 176.094 -0.055 0.000 1.162 144 V CA 0.117 62.388 62.300 -0.048 0.000 1.048 144 V CB 2.017 33.738 31.823 -0.171 0.000 1.092 144 V HN 0.227 nan 8.190 nan 0.000 0.447 145 T N 0.501 114.941 114.554 -0.189 0.000 2.762 145 T HA 0.686 5.036 4.350 0.000 0.000 0.301 145 T C -1.479 173.107 174.700 -0.190 0.000 1.299 145 T CA -0.168 61.875 62.100 -0.096 0.000 1.005 145 T CB 1.506 70.292 68.868 -0.137 0.000 1.377 145 T HN 1.363 nan 8.240 nan 0.000 0.504 146 I N 0.378 120.942 120.570 -0.010 0.000 2.646 146 I HA 0.717 4.887 4.170 0.000 0.000 0.299 146 I C -2.513 173.651 176.117 0.077 0.000 1.036 146 I CA -2.998 58.265 61.300 -0.061 0.000 1.074 146 I CB 2.619 40.631 38.000 0.021 0.000 1.258 146 I HN 0.317 nan 8.210 nan 0.000 0.430 147 P HA 0.243 nan 4.420 nan 0.000 0.220 147 P C 0.122 177.547 177.300 0.207 0.000 1.806 147 P CA 0.201 63.395 63.100 0.157 0.000 0.976 147 P CB 0.117 31.965 31.700 0.247 0.000 1.952 148 G N 0.200 109.164 108.800 0.273 0.000 2.642 148 G HA2 0.562 4.522 3.960 0.000 0.000 0.291 148 G HA3 0.562 4.522 3.960 0.000 0.000 0.291 148 G C 0.115 175.164 174.900 0.249 0.000 1.345 148 G CA -0.690 44.635 45.100 0.374 0.000 1.043 148 G HN 0.310 nan 8.290 nan 0.000 0.528 149 G N -1.812 107.140 108.800 0.252 0.000 2.699 149 G HA2 0.381 4.341 3.960 0.000 0.000 0.246 149 G HA3 0.381 4.341 3.960 0.000 0.000 0.246 149 G C 1.346 176.251 174.900 0.008 0.000 1.219 149 G CA 0.493 45.589 45.100 -0.006 0.000 0.866 149 G HN 1.266 nan 8.290 nan 0.000 0.572 150 V N -1.515 118.366 119.914 -0.054 0.000 2.346 150 V HA -0.022 4.098 4.120 0.000 0.000 0.244 150 V C 1.696 177.779 176.094 -0.017 0.000 1.037 150 V CA 0.709 62.986 62.300 -0.037 0.000 1.029 150 V CB -1.203 30.604 31.823 -0.027 0.000 0.663 150 V HN 0.585 nan 8.190 nan 0.000 0.454 151 C N 2.864 122.135 119.300 -0.048 0.000 2.531 151 C HA 0.352 4.813 4.460 0.000 0.000 0.401 151 C C 2.310 177.202 174.990 -0.164 0.000 1.473 151 C CA 0.499 59.456 59.018 -0.101 0.000 1.472 151 C CB -0.829 26.814 27.740 -0.160 0.000 2.429 151 C HN 0.730 nan 8.230 nan 0.000 0.620 152 G N 3.732 112.470 108.800 -0.104 0.000 2.529 152 G HA2 -0.158 3.802 3.960 0.000 0.000 0.219 152 G HA3 -0.158 3.802 3.960 0.000 0.000 0.219 152 G C 1.641 176.464 174.900 -0.129 0.000 1.177 152 G CA 0.957 46.001 45.100 -0.092 0.000 0.773 152 G HN 0.908 nan 8.290 nan 0.000 0.573 153 G N -0.501 108.229 108.800 -0.116 0.000 2.848 153 G HA2 0.278 4.238 3.960 0.000 0.000 0.208 153 G HA3 0.278 4.238 3.960 0.000 0.000 0.208 153 G C 0.415 175.266 174.900 -0.081 0.000 1.152 153 G CA -0.018 45.060 45.100 -0.037 0.000 0.789 153 G HN 0.337 nan 8.290 nan 0.000 0.531 154 V N 1.124 120.828 119.914 -0.350 0.000 2.585 154 V HA 0.435 4.555 4.120 0.000 0.000 0.296 154 V C 1.255 177.253 176.094 -0.160 0.000 1.035 154 V CA -0.107 61.999 62.300 -0.324 0.000 1.084 154 V CB 0.946 32.492 31.823 -0.462 0.000 0.953 154 V HN 0.217 nan 8.190 nan 0.000 0.483 155 G N 3.191 111.970 108.800 -0.034 0.000 2.476 155 G HA2 0.377 4.337 3.960 0.000 0.000 0.269 155 G HA3 0.377 4.337 3.960 0.000 0.000 0.269 155 G C 0.915 175.831 174.900 0.026 0.000 1.195 155 G CA -0.485 44.613 45.100 -0.004 0.000 0.843 155 G HN 0.543 nan 8.290 nan 0.000 0.545 156 V N 2.679 122.612 119.914 0.032 0.000 2.490 156 V HA -0.129 3.991 4.120 0.000 0.000 0.250 156 V C 2.968 179.185 176.094 0.205 0.000 1.061 156 V CA 2.427 64.774 62.300 0.079 0.000 1.064 156 V CB -0.887 30.980 31.823 0.073 0.000 0.670 156 V HN 0.869 nan 8.190 nan 0.000 0.461 157 G N 0.368 109.296 108.800 0.213 0.000 2.545 157 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 157 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 157 G C 1.596 176.635 174.900 0.232 0.000 1.218 157 G CA 1.044 46.288 45.100 0.239 0.000 0.787 157 G HN 0.576 nan 8.290 nan 0.000 0.571 158 G N -0.838 108.057 108.800 0.159 0.000 2.408 158 G HA2 -0.075 3.885 3.960 0.000 0.000 0.215 158 G HA3 -0.075 3.885 3.960 0.000 0.000 0.215 158 G C 1.579 176.563 174.900 0.140 0.000 1.156 158 G CA 1.198 46.379 45.100 0.135 0.000 0.793 158 G HN 0.548 nan 8.290 nan 0.000 0.535 159 H N 0.778 119.871 119.070 0.038 0.000 2.293 159 H HA 0.054 4.610 4.556 0.000 0.000 0.300 159 H C 2.464 177.789 175.328 -0.005 0.000 1.082 159 H CA 1.703 57.761 56.048 0.016 0.000 1.308 159 H CB -0.129 29.627 29.762 -0.010 0.000 1.375 159 H HN 0.323 nan 8.280 nan 0.000 0.495 160 I N -0.234 120.263 120.570 -0.121 0.000 2.286 160 I HA -0.236 3.935 4.170 0.000 0.000 0.245 160 I C 2.648 178.674 176.117 -0.151 0.000 1.104 160 I CA 1.055 62.171 61.300 -0.307 0.000 1.397 160 I CB -0.383 37.167 38.000 -0.750 0.000 1.072 160 I HN 0.524 nan 8.210 nan 0.000 0.417 161 C N 0.357 119.678 119.300 0.034 0.000 2.449 161 C HA 0.115 4.575 4.460 0.000 0.000 0.283 161 C C 2.372 177.387 174.990 0.042 0.000 1.453 161 C CA 0.163 59.265 59.018 0.141 0.000 1.779 161 C CB -1.943 26.012 27.740 0.358 0.000 1.779 161 C HN 0.532 nan 8.230 nan 0.000 0.546 162 G N -0.581 108.216 108.800 -0.005 0.000 3.042 162 G HA2 0.422 4.382 3.960 0.000 0.000 0.212 162 G HA3 0.422 4.382 3.960 0.000 0.000 0.212 162 G C 1.151 176.037 174.900 -0.023 0.000 1.166 162 G CA 0.567 45.633 45.100 -0.055 0.000 0.767 162 G HN 1.626 nan 8.290 nan 0.000 0.546 163 G N -0.536 108.285 108.800 0.034 0.000 2.207 163 G HA2 0.150 4.111 3.960 0.000 0.000 0.216 163 G HA3 0.150 4.111 3.960 0.000 0.000 0.216 163 G C 0.691 175.747 174.900 0.261 0.000 1.053 163 G CA -0.044 45.172 45.100 0.194 0.000 0.764 163 G HN 1.125 nan 8.290 nan 0.000 0.495 164 G N -0.167 108.591 108.800 -0.069 0.000 2.238 164 G HA2 0.524 4.484 3.960 0.000 0.000 0.234 164 G HA3 0.524 4.484 3.960 0.000 0.000 0.234 164 G C -0.011 175.001 174.900 0.186 0.000 1.181 164 G CA 1.127 46.052 45.100 -0.291 0.000 0.871 164 G HN 2.056 nan 8.290 nan 0.000 0.490 165 Y N 0.323 120.704 120.300 0.134 0.000 2.638 165 Y HA 0.776 5.326 4.550 0.000 0.000 0.335 165 Y C 0.259 176.265 175.900 0.177 0.000 1.155 165 Y CA -0.565 57.647 58.100 0.188 0.000 1.046 165 Y CB 1.052 39.643 38.460 0.217 0.000 1.303 165 Y HN 1.242 nan 8.280 nan 0.000 0.460 166 G N 0.167 108.757 108.800 -0.349 0.000 2.539 166 G HA2 0.262 4.223 3.960 0.000 0.000 0.138 166 G HA3 0.262 4.223 3.960 0.000 0.000 0.138 166 G C -2.651 171.854 174.900 -0.658 0.000 1.148 166 G CA -0.240 44.444 45.100 -0.694 0.000 1.057 166 G HN 0.403 nan 8.290 nan 0.000 0.511 167 P HA 0.107 nan 4.420 nan 0.000 0.219 167 P C 1.632 178.712 177.300 -0.366 0.000 1.146 167 P CA 0.892 63.262 63.100 -1.216 0.000 0.808 167 P CB 0.127 31.335 31.700 -0.820 0.000 0.779 168 L N -1.833 119.314 121.223 -0.126 0.000 2.607 168 L HA 0.111 4.452 4.340 0.000 0.000 0.228 168 L C 1.853 178.807 176.870 0.140 0.000 1.123 168 L CA 0.345 55.229 54.840 0.073 0.000 0.890 168 L CB -0.422 41.748 42.059 0.185 0.000 1.103 168 L HN -0.059 nan 8.230 nan 0.000 0.468 169 S N 0.297 116.084 115.700 0.145 0.000 2.399 169 S HA -0.135 4.335 4.470 0.000 0.000 0.231 169 S C 1.994 176.671 174.600 0.129 0.000 1.022 169 S CA 1.149 59.476 58.200 0.212 0.000 0.983 169 S CB -0.119 63.284 63.200 0.337 0.000 0.803 169 S HN 0.433 nan 8.310 nan 0.000 0.480 170 R N 0.891 121.470 120.500 0.133 0.000 2.148 170 R HA -0.003 4.337 4.340 0.000 0.000 0.227 170 R C 2.484 178.779 176.300 -0.008 0.000 1.103 170 R CA 1.013 57.166 56.100 0.089 0.000 0.983 170 R CB -0.130 30.294 30.300 0.207 0.000 0.874 170 R HN 0.449 nan 8.270 nan 0.000 0.451 171 Q N -0.964 118.768 119.800 -0.113 0.000 2.302 171 Q HA -0.005 4.335 4.340 0.000 0.000 0.202 171 Q C 0.461 176.109 176.000 -0.586 0.000 0.936 171 Q CA 0.932 56.475 55.803 -0.434 0.000 0.886 171 Q CB 0.492 28.799 28.738 -0.717 0.000 0.986 171 Q HN 0.240 nan 8.270 nan 0.000 0.487 172 F N -1.367 118.649 119.950 0.110 0.000 2.831 172 F HA 0.387 4.914 4.527 0.000 0.000 0.334 172 F C 0.909 176.870 175.800 0.269 0.000 1.071 172 F CA 0.559 58.672 58.000 0.187 0.000 1.172 172 F CB 1.141 40.222 39.000 0.136 0.000 1.054 172 F HN 0.128 nan 8.300 nan 0.000 0.572 173 G N 0.450 109.440 108.800 0.318 0.000 2.582 173 G HA2 -0.077 3.883 3.960 0.000 0.000 0.222 173 G HA3 -0.077 3.883 3.960 0.000 0.000 0.222 173 G C -0.368 174.712 174.900 0.301 0.000 1.311 173 G CA -0.486 44.759 45.100 0.241 0.000 0.915 173 G HN 0.313 nan 8.290 nan 0.000 0.528 174 S N -1.620 114.234 115.700 0.256 0.000 2.603 174 S HA 0.390 4.860 4.470 0.000 0.000 0.268 174 S C 1.727 176.525 174.600 0.331 0.000 1.317 174 S CA 0.615 58.992 58.200 0.294 0.000 1.012 174 S CB 1.393 64.742 63.200 0.248 0.000 0.926 174 S HN 1.989 nan 8.310 nan 0.000 0.539 175 V N 4.356 124.439 119.914 0.281 0.000 2.469 175 V HA -0.134 3.986 4.120 0.000 0.000 0.251 175 V C 2.157 178.394 176.094 0.238 0.000 1.064 175 V CA 2.533 64.988 62.300 0.258 0.000 1.066 175 V CB -0.482 31.414 31.823 0.121 0.000 0.667 175 V HN 0.867 nan 8.190 nan 0.000 0.461 176 V N -2.126 117.876 119.914 0.146 0.000 2.970 176 V HA -0.075 4.045 4.120 0.000 0.000 0.260 176 V C 1.843 177.998 176.094 0.102 0.000 1.100 176 V CA 1.987 64.336 62.300 0.081 0.000 1.122 176 V CB -0.880 30.933 31.823 -0.017 0.000 0.721 176 V HN 0.534 nan 8.190 nan 0.000 0.483 177 D N -0.288 120.159 120.400 0.078 0.000 2.378 177 D HA -0.024 4.616 4.640 0.000 0.000 0.227 177 D C 0.898 176.957 176.300 -0.403 0.000 1.012 177 D CA 1.125 55.055 54.000 -0.116 0.000 0.905 177 D CB -0.040 40.657 40.800 -0.172 0.000 0.895 177 D HN 0.718 nan 8.370 nan 0.000 0.532 178 Y N -0.285 120.131 120.300 0.192 0.000 2.612 178 Y HA 0.216 4.766 4.550 0.000 0.000 0.250 178 Y C 0.381 176.445 175.900 0.273 0.000 1.175 178 Y CA -0.682 57.542 58.100 0.207 0.000 1.205 178 Y CB 0.520 39.066 38.460 0.145 0.000 1.201 178 Y HN -0.165 nan 8.280 nan 0.000 0.532 179 L N 0.695 122.149 121.223 0.385 0.000 2.334 179 L HA 0.129 4.469 4.340 0.000 0.000 0.286 179 L C 0.867 178.134 176.870 0.661 0.000 1.108 179 L CA -0.209 54.913 54.840 0.471 0.000 0.875 179 L CB -0.357 41.904 42.059 0.335 0.000 1.246 179 L HN 0.346 nan 8.230 nan 0.000 0.439 180 Y N 5.039 125.592 120.300 0.420 0.000 2.184 180 Y HA 0.383 4.933 4.550 0.000 0.000 0.290 180 Y C 0.728 176.762 175.900 0.223 0.000 1.129 180 Y CA 0.792 59.044 58.100 0.253 0.000 1.144 180 Y CB 0.302 38.863 38.460 0.168 0.000 0.995 180 Y HN 0.587 nan 8.280 nan 0.000 0.513 181 A N -0.571 122.424 122.820 0.291 0.000 2.609 181 A HA 0.652 4.973 4.320 0.000 0.000 0.291 181 A C -2.020 175.891 177.584 0.544 0.000 1.096 181 A CA -0.355 51.818 52.037 0.227 0.000 0.684 181 A CB 1.372 20.345 19.000 -0.046 0.000 1.282 181 A HN 0.072 nan 8.150 nan 0.000 0.412 182 V N 0.460 120.604 119.914 0.383 0.000 2.733 182 V HA 0.532 4.652 4.120 0.000 0.000 0.306 182 V C -0.729 175.444 176.094 0.131 0.000 1.084 182 V CA -0.396 62.005 62.300 0.168 0.000 0.905 182 V CB 1.736 33.510 31.823 -0.082 0.000 1.010 182 V HN 0.995 nan 8.190 nan 0.000 0.424 183 E N 4.396 124.626 120.200 0.050 0.000 2.174 183 E HA 0.676 5.026 4.350 0.000 0.000 0.282 183 E C -1.565 174.921 176.600 -0.189 0.000 0.992 183 E CA -0.411 55.992 56.400 0.006 0.000 0.803 183 E CB 1.694 31.422 29.700 0.046 0.000 1.090 183 E HN 0.541 nan 8.360 nan 0.000 0.396 184 V N 4.115 123.926 119.914 -0.172 0.000 2.709 184 V HA 0.289 4.409 4.120 0.000 0.000 0.308 184 V C -0.332 175.690 176.094 -0.119 0.000 1.062 184 V CA -1.054 61.124 62.300 -0.202 0.000 0.901 184 V CB 1.823 33.491 31.823 -0.258 0.000 1.003 184 V HN 0.462 nan 8.190 nan 0.000 0.425 185 V N 5.206 125.061 119.914 -0.098 0.000 2.385 185 V HA 0.507 4.628 4.120 0.000 0.000 0.269 185 V C 0.124 176.211 176.094 -0.011 0.000 1.043 185 V CA -0.183 62.097 62.300 -0.033 0.000 0.906 185 V CB 1.421 33.242 31.823 -0.003 0.000 0.995 185 V HN 0.792 nan 8.190 nan 0.000 0.467 186 V N 3.929 123.873 119.914 0.049 0.000 2.960 186 V HA 0.806 4.926 4.120 0.000 0.000 0.315 186 V C -0.510 175.690 176.094 0.176 0.000 1.087 186 V CA -0.795 61.587 62.300 0.136 0.000 0.982 186 V CB 2.181 34.109 31.823 0.176 0.000 1.039 186 V HN 0.386 nan 8.190 nan 0.000 0.437 187 V N 3.898 123.957 119.914 0.240 0.000 2.459 187 V HA 0.414 4.534 4.120 0.000 0.000 0.295 187 V C 0.446 176.613 176.094 0.121 0.000 1.029 187 V CA -0.431 61.950 62.300 0.135 0.000 0.874 187 V CB 1.152 33.009 31.823 0.056 0.000 0.985 187 V HN 1.185 nan 8.190 nan 0.000 0.438 188 N N 3.524 122.267 118.700 0.072 0.000 2.366 188 N HA 0.222 4.962 4.740 0.000 0.000 0.277 188 N C 0.980 176.514 175.510 0.040 0.000 1.275 188 N CA -0.743 52.342 53.050 0.059 0.000 0.964 188 N CB 1.234 39.747 38.487 0.043 0.000 1.167 188 N HN 0.542 nan 8.380 nan 0.000 0.568 189 K N -0.278 120.140 120.400 0.030 0.000 2.147 189 K HA -0.174 4.146 4.320 0.000 0.000 0.205 189 K C 1.678 178.287 176.600 0.015 0.000 1.049 189 K CA 1.447 57.748 56.287 0.024 0.000 0.936 189 K CB 0.037 32.547 32.500 0.017 0.000 0.722 189 K HN 0.502 nan 8.250 nan 0.000 0.446 190 Q N -0.828 118.979 119.800 0.011 0.000 2.369 190 Q HA 0.099 4.439 4.340 0.000 0.000 0.206 190 Q C 1.008 177.006 176.000 -0.003 0.000 0.963 190 Q CA 1.123 56.929 55.803 0.006 0.000 0.894 190 Q CB 0.471 29.213 28.738 0.007 0.000 0.965 190 Q HN 0.581 nan 8.270 nan 0.000 0.475 191 G N -0.456 108.337 108.800 -0.011 0.000 2.159 191 G HA2 -0.223 3.737 3.960 0.000 0.000 0.227 191 G HA3 -0.223 3.737 3.960 0.000 0.000 0.227 191 G C -0.311 174.562 174.900 -0.044 0.000 0.986 191 G CA -0.275 44.797 45.100 -0.046 0.000 0.651 191 G HN 0.090 nan 8.290 nan 0.000 0.523 192 K N 1.047 121.439 120.400 -0.013 0.000 2.234 192 K HA 0.752 5.072 4.320 0.000 0.000 0.282 192 K C 0.578 177.186 176.600 0.012 0.000 1.039 192 K CA 0.531 56.818 56.287 -0.001 0.000 0.928 192 K CB 1.433 33.939 32.500 0.010 0.000 1.039 192 K HN 0.662 nan 8.250 nan 0.000 0.470 193 A N 4.048 126.875 122.820 0.013 0.000 2.327 193 A HA 0.615 4.935 4.320 0.000 0.000 0.283 193 A C -0.201 177.403 177.584 0.032 0.000 1.127 193 A CA -0.511 51.546 52.037 0.033 0.000 0.810 193 A CB 0.329 19.349 19.000 0.033 0.000 1.066 193 A HN 0.820 nan 8.150 nan 0.000 0.492 194 R N 0.570 121.093 120.500 0.039 0.000 2.867 194 R HA 0.763 5.103 4.340 0.000 0.000 0.268 194 R C -1.220 175.088 176.300 0.013 0.000 1.014 194 R CA -0.637 55.480 56.100 0.027 0.000 0.946 194 R CB 1.375 31.695 30.300 0.034 0.000 1.208 194 R HN 0.857 nan 8.270 nan 0.000 0.477 195 V N 0.703 120.617 119.914 0.001 0.000 2.483 195 V HA 0.662 4.782 4.120 0.000 0.000 0.295 195 V C -0.635 175.433 176.094 -0.044 0.000 1.035 195 V CA -0.715 61.575 62.300 -0.018 0.000 0.896 195 V CB 1.291 33.110 31.823 -0.006 0.000 0.986 195 V HN 0.751 nan 8.190 nan 0.000 0.447 196 I N 5.741 126.259 120.570 -0.086 0.000 2.447 196 I HA 0.417 4.587 4.170 0.000 0.000 0.287 196 I C -0.738 175.317 176.117 -0.103 0.000 1.023 196 I CA -0.892 60.310 61.300 -0.163 0.000 1.083 196 I CB 2.228 40.032 38.000 -0.326 0.000 1.245 196 I HN 0.434 nan 8.210 nan 0.000 0.434 197 V N 5.612 125.496 119.914 -0.051 0.000 2.364 197 V HA 0.606 4.727 4.120 0.000 0.000 0.272 197 V C 0.373 176.453 176.094 -0.024 0.000 1.036 197 V CA -0.368 61.930 62.300 -0.003 0.000 0.880 197 V CB 1.182 32.987 31.823 -0.030 0.000 0.991 197 V HN 0.806 nan 8.190 nan 0.000 0.460 198 A N 4.055 126.872 122.820 -0.004 0.000 2.319 198 A HA 0.828 5.148 4.320 0.000 0.000 0.310 198 A C 0.130 177.715 177.584 0.002 0.000 1.152 198 A CA -0.266 51.797 52.037 0.043 0.000 0.783 198 A CB 1.420 20.454 19.000 0.057 0.000 1.184 198 A HN 0.868 nan 8.150 nan 0.000 0.474 199 T N -0.919 113.533 114.554 -0.171 0.000 2.905 199 T HA 0.455 4.805 4.350 0.000 0.000 0.283 199 T C 0.939 175.103 174.700 -0.893 0.000 1.031 199 T CA -0.539 61.211 62.100 -0.583 0.000 1.002 199 T CB 1.272 69.672 68.868 -0.781 0.000 1.200 199 T HN 0.558 nan 8.240 nan 0.000 0.560 200 R N -0.092 119.575 120.500 -1.388 0.000 2.236 200 R HA 0.077 4.417 4.340 0.000 0.000 0.208 200 R C 0.049 175.993 176.300 -0.592 0.000 1.036 200 R CA 0.262 55.392 56.100 -1.618 0.000 1.001 200 R CB -0.143 29.517 30.300 -1.066 0.000 0.896 200 R HN 0.727 nan 8.270 nan 0.000 0.464 201 E N 0.697 120.674 120.200 -0.372 0.000 2.480 201 E HA -0.104 4.247 4.350 0.000 0.000 0.258 201 E C 0.676 177.153 176.600 -0.205 0.000 0.984 201 E CA -0.064 56.226 56.400 -0.183 0.000 0.930 201 E CB 0.727 30.355 29.700 -0.119 0.000 0.936 201 E HN 0.195 nan 8.360 nan 0.000 0.466 202 R N 2.245 122.569 120.500 -0.294 0.000 2.120 202 R HA -0.135 4.205 4.340 0.000 0.000 0.234 202 R C 1.269 177.338 176.300 -0.386 0.000 1.123 202 R CA 1.489 57.260 56.100 -0.547 0.000 0.975 202 R CB -0.188 29.904 30.300 -0.347 0.000 0.866 202 R HN 0.571 nan 8.270 nan 0.000 0.446 203 D N 0.299 120.575 120.400 -0.207 0.000 2.349 203 D HA -0.085 4.555 4.640 0.000 0.000 0.224 203 D C -0.233 176.009 176.300 -0.096 0.000 1.029 203 D CA 0.060 53.979 54.000 -0.135 0.000 0.879 203 D CB -0.392 40.351 40.800 -0.096 0.000 0.906 203 D HN 0.053 nan 8.370 nan 0.000 0.528 204 D N 1.930 122.279 120.400 -0.085 0.000 2.401 204 D HA -0.011 4.629 4.640 0.000 0.000 0.254 204 D C -1.160 175.141 176.300 0.001 0.000 1.192 204 D CA -1.375 52.610 54.000 -0.026 0.000 0.885 204 D CB 1.820 42.616 40.800 -0.007 0.000 1.147 204 D HN -0.038 nan 8.370 nan 0.000 0.478 205 P HA -0.150 nan 4.420 nan 0.000 0.218 205 P C 0.520 177.682 177.300 -0.230 0.000 1.146 205 P CA 1.219 64.214 63.100 -0.175 0.000 0.813 205 P CB 0.172 31.705 31.700 -0.279 0.000 0.778 206 H N -2.355 116.794 119.070 0.133 0.000 2.487 206 H HA 0.084 4.640 4.556 0.000 0.000 0.290 206 H C 1.782 177.221 175.328 0.185 0.000 1.081 206 H CA -0.263 55.896 56.048 0.185 0.000 1.116 206 H CB -0.633 29.206 29.762 0.128 0.000 1.560 206 H HN 0.348 nan 8.280 nan 0.000 0.548 207 H N 1.575 120.743 119.070 0.164 0.000 2.400 207 H HA -0.159 4.397 4.556 0.000 0.000 0.295 207 H C 0.777 176.319 175.328 0.358 0.000 1.118 207 H CA 1.602 57.771 56.048 0.202 0.000 1.256 207 H CB 0.474 30.290 29.762 0.090 0.000 1.365 207 H HN 0.354 nan 8.280 nan 0.000 0.502 208 D N 0.663 121.229 120.400 0.276 0.000 2.144 208 D HA -0.134 4.506 4.640 0.000 0.000 0.199 208 D C 2.518 178.909 176.300 0.152 0.000 0.984 208 D CA 0.339 54.468 54.000 0.215 0.000 0.834 208 D CB -0.191 40.731 40.800 0.204 0.000 0.955 208 D HN 0.404 nan 8.370 nan 0.000 0.465 209 L N -0.279 120.967 121.223 0.038 0.000 2.056 209 L HA -0.143 4.197 4.340 0.000 0.000 0.207 209 L C 2.339 179.221 176.870 0.020 0.000 1.078 209 L CA 1.041 55.748 54.840 -0.222 0.000 0.749 209 L CB -0.205 41.539 42.059 -0.525 0.000 0.901 209 L HN 0.180 nan 8.230 nan 0.000 0.433 210 W N 0.061 121.322 121.300 -0.065 0.000 2.333 210 W HA -0.303 4.357 4.660 0.000 0.000 0.316 210 W C 2.402 178.909 176.519 -0.020 0.000 1.215 210 W CA 1.867 59.184 57.345 -0.047 0.000 1.278 210 W CB -1.011 28.380 29.460 -0.115 0.000 1.154 210 W HN 0.313 nan 8.180 nan 0.000 0.486 211 W N 1.441 122.498 121.300 -0.404 0.000 2.342 211 W HA -0.198 4.462 4.660 0.000 0.000 0.297 211 W C 2.234 178.426 176.519 -0.545 0.000 1.213 211 W CA 3.195 60.105 57.345 -0.725 0.000 1.251 211 W CB -0.682 28.618 29.460 -0.266 0.000 1.136 211 W HN 0.013 nan 8.180 nan 0.000 0.526 212 A N -0.823 121.778 122.820 -0.365 0.000 2.015 212 A HA -0.182 4.138 4.320 0.000 0.000 0.219 212 A C 1.207 178.403 177.584 -0.647 0.000 1.163 212 A CA 1.772 53.402 52.037 -0.677 0.000 0.646 212 A CB -1.071 17.330 19.000 -0.997 0.000 0.806 212 A HN 0.561 nan 8.150 nan 0.000 0.448 213 H N -0.522 118.273 119.070 -0.458 0.000 2.539 213 H HA 0.092 4.648 4.556 0.000 0.000 0.267 213 H C 1.265 176.400 175.328 -0.320 0.000 0.982 213 H CA 1.028 56.932 56.048 -0.240 0.000 1.146 213 H CB 0.104 29.804 29.762 -0.103 0.000 1.382 213 H HN 0.508 nan 8.280 nan 0.000 0.577 214 T N -2.303 111.934 114.554 -0.529 0.000 3.406 214 T HA 0.366 4.716 4.350 0.000 0.000 0.244 214 T C 1.437 175.924 174.700 -0.355 0.000 0.949 214 T CA 0.260 62.059 62.100 -0.501 0.000 0.926 214 T CB -0.382 68.014 68.868 -0.787 0.000 1.089 214 T HN 0.447 nan 8.240 nan 0.000 0.604 215 G N -0.363 108.306 108.800 -0.217 0.000 2.273 215 G HA2 -0.088 3.872 3.960 0.000 0.000 0.162 215 G HA3 -0.088 3.872 3.960 0.000 0.000 0.162 215 G C 1.046 175.944 174.900 -0.003 0.000 1.006 215 G CA -0.104 44.953 45.100 -0.073 0.000 0.704 215 G HN 0.737 nan 8.290 nan 0.000 0.487 216 G N 0.374 109.106 108.800 -0.113 0.000 2.448 216 G HA2 0.457 4.417 3.960 0.000 0.000 0.219 216 G HA3 0.457 4.417 3.960 0.000 0.000 0.219 216 G C 1.409 176.385 174.900 0.127 0.000 1.127 216 G CA 1.806 46.901 45.100 -0.009 0.000 0.766 216 G HN 2.134 nan 8.290 nan 0.000 0.552 217 G N -1.683 107.165 108.800 0.080 0.000 2.721 217 G HA2 0.409 4.369 3.960 0.000 0.000 0.686 217 G HA3 0.409 4.369 3.960 0.000 0.000 0.686 217 G C 0.357 175.279 174.900 0.038 0.000 1.236 217 G CA -0.296 44.843 45.100 0.066 0.000 0.786 217 G HN 1.091 nan 8.290 nan 0.000 0.616 218 G N -0.691 108.150 108.800 0.069 0.000 2.636 218 G HA2 0.635 4.595 3.960 0.000 0.000 0.246 218 G HA3 0.635 4.595 3.960 0.000 0.000 0.246 218 G C 1.535 176.476 174.900 0.068 0.000 1.216 218 G CA 1.404 46.546 45.100 0.070 0.000 0.854 218 G HN 2.605 nan 8.290 nan 0.000 0.572 219 G N -0.391 108.429 108.800 0.033 0.000 2.147 219 G HA2 -0.278 3.682 3.960 0.000 0.000 0.244 219 G HA3 -0.278 3.682 3.960 0.000 0.000 0.244 219 G C 0.610 175.478 174.900 -0.054 0.000 1.005 219 G CA 0.789 45.940 45.100 0.084 0.000 0.713 219 G HN 0.786 nan 8.290 nan 0.000 0.515 220 N N -1.514 117.004 118.700 -0.303 0.000 2.672 220 N HA 0.345 5.086 4.740 0.000 0.000 0.229 220 N C 1.298 176.447 175.510 -0.602 0.000 1.043 220 N CA 0.394 53.042 53.050 -0.670 0.000 0.932 220 N CB 0.169 37.836 38.487 -1.366 0.000 1.500 220 N HN 0.212 nan 8.380 nan 0.000 0.445 221 F N -0.220 119.646 119.950 -0.140 0.000 2.712 221 F HA 0.521 5.048 4.527 0.000 0.000 0.297 221 F C 1.100 176.736 175.800 -0.273 0.000 1.114 221 F CA 0.111 58.045 58.000 -0.111 0.000 1.305 221 F CB 0.833 39.755 39.000 -0.129 0.000 1.086 221 F HN 0.032 nan 8.300 nan 0.000 0.599 222 G N -0.294 108.147 108.800 -0.598 0.000 2.352 222 G HA2 0.316 4.276 3.960 0.000 0.000 0.283 222 G HA3 0.316 4.276 3.960 0.000 0.000 0.283 222 G C -2.030 172.473 174.900 -0.661 0.000 1.308 222 G CA -0.868 43.629 45.100 -1.005 0.000 0.892 222 G HN -0.189 nan 8.290 nan 0.000 0.504 223 V N 1.013 120.688 119.914 -0.398 0.000 2.328 223 V HA 0.463 4.583 4.120 0.000 0.000 0.278 223 V C 0.606 176.595 176.094 -0.175 0.000 1.021 223 V CA -0.662 61.523 62.300 -0.191 0.000 0.838 223 V CB 1.067 32.852 31.823 -0.063 0.000 0.999 223 V HN 0.717 nan 8.190 nan 0.000 0.447 224 V N 5.217 125.018 119.914 -0.188 0.000 2.479 224 V HA 0.097 4.218 4.120 0.000 0.000 0.281 224 V C 1.511 177.431 176.094 -0.289 0.000 1.031 224 V CA 0.883 62.989 62.300 -0.323 0.000 1.038 224 V CB 0.906 32.448 31.823 -0.469 0.000 0.981 224 V HN 1.072 nan 8.190 nan 0.000 0.478 225 T N 1.377 115.758 114.554 -0.289 0.000 3.014 225 T HA 0.297 4.647 4.350 0.000 0.000 0.250 225 T C 0.400 174.915 174.700 -0.308 0.000 1.060 225 T CA -0.008 61.956 62.100 -0.227 0.000 1.040 225 T CB 0.267 69.044 68.868 -0.151 0.000 0.971 225 T HN 0.575 nan 8.240 nan 0.000 0.497 226 K N 0.037 120.158 120.400 -0.465 0.000 2.557 226 K HA 0.502 4.822 4.320 0.000 0.000 0.261 226 K C -2.062 174.108 176.600 -0.717 0.000 0.932 226 K CA -0.728 55.186 56.287 -0.621 0.000 0.829 226 K CB 2.050 34.001 32.500 -0.915 0.000 1.358 226 K HN 0.121 nan 8.250 nan 0.000 0.430 227 Y N 0.451 120.531 120.300 -0.367 0.000 2.446 227 Y HA 0.454 5.004 4.550 0.000 0.000 0.338 227 Y C -0.340 175.424 175.900 -0.226 0.000 1.055 227 Y CA -0.598 57.409 58.100 -0.155 0.000 1.101 227 Y CB 1.574 40.022 38.460 -0.020 0.000 1.221 227 Y HN 0.313 nan 8.280 nan 0.000 0.460 228 W N 4.846 126.332 121.300 0.310 0.000 2.656 228 W HA 0.511 5.171 4.660 0.000 0.000 0.327 228 W C -1.179 175.543 176.519 0.338 0.000 1.041 228 W CA -0.977 56.536 57.345 0.280 0.000 1.229 228 W CB 2.056 31.678 29.460 0.270 0.000 1.397 228 W HN 0.336 nan 8.180 nan 0.000 0.479 229 M N 3.970 123.879 119.600 0.516 0.000 2.393 229 M HA 0.579 5.059 4.480 0.000 0.000 0.316 229 M C -0.408 176.147 176.300 0.426 0.000 1.087 229 M CA -0.767 54.792 55.300 0.433 0.000 0.937 229 M CB 2.555 35.333 32.600 0.297 0.000 1.668 229 M HN 0.403 nan 8.290 nan 0.000 0.438 230 R N 1.033 121.780 120.500 0.412 0.000 2.633 230 R HA 0.379 4.719 4.340 0.000 0.000 0.256 230 R C -1.594 174.931 176.300 0.375 0.000 1.131 230 R CA -0.513 55.776 56.100 0.315 0.000 0.994 230 R CB 2.576 32.985 30.300 0.181 0.000 1.261 230 R HN 0.587 nan 8.270 nan 0.000 0.446 231 V N 5.981 126.096 119.914 0.335 0.000 2.644 231 V HA -0.023 4.097 4.120 0.000 0.000 0.305 231 V C -1.056 175.135 176.094 0.163 0.000 1.053 231 V CA -0.433 62.045 62.300 0.297 0.000 1.186 231 V CB 1.238 33.191 31.823 0.216 0.000 0.895 231 V HN 0.706 nan 8.190 nan 0.000 0.490 232 P HA -0.094 nan 4.420 nan 0.000 0.217 232 P C 0.409 177.748 177.300 0.065 0.000 1.150 232 P CA 0.679 63.831 63.100 0.087 0.000 0.832 232 P CB 0.377 32.113 31.700 0.059 0.000 0.787 233 E N 0.571 120.811 120.200 0.067 0.000 2.425 233 E HA 0.094 4.444 4.350 0.000 0.000 0.258 233 E C 0.281 176.901 176.600 0.033 0.000 1.151 233 E CA 0.137 56.568 56.400 0.051 0.000 0.958 233 E CB -0.152 29.584 29.700 0.060 0.000 0.968 233 E HN -0.008 nan 8.360 nan 0.000 0.451 234 D N 0.757 121.170 120.400 0.021 0.000 2.313 234 D HA 0.134 4.774 4.640 0.000 0.000 0.239 234 D C -0.430 175.876 176.300 0.011 0.000 1.142 234 D CA -0.349 53.655 54.000 0.006 0.000 0.847 234 D CB 0.797 41.597 40.800 0.001 0.000 1.082 234 D HN 0.215 nan 8.370 nan 0.000 0.480 235 V N 1.601 121.518 119.914 0.005 0.000 3.111 235 V HA 0.591 4.711 4.120 0.000 0.000 0.343 235 V C 0.982 177.071 176.094 -0.007 0.000 1.417 235 V CA 0.217 62.522 62.300 0.008 0.000 1.142 235 V CB -0.141 31.695 31.823 0.021 0.000 1.114 235 V HN 0.715 nan 8.190 nan 0.000 0.520 236 G N 2.427 111.218 108.800 -0.015 0.000 2.562 236 G HA2 -0.239 3.721 3.960 0.000 0.000 0.250 236 G HA3 -0.239 3.721 3.960 0.000 0.000 0.250 236 G C 0.365 175.244 174.900 -0.035 0.000 1.269 236 G CA 0.318 45.404 45.100 -0.023 0.000 0.919 236 G HN 0.515 nan 8.290 nan 0.000 0.574 237 R N 0.959 121.435 120.500 -0.040 0.000 2.466 237 R HA 0.140 4.480 4.340 0.000 0.000 0.279 237 R C 0.747 176.955 176.300 -0.154 0.000 0.976 237 R CA 0.035 56.103 56.100 -0.054 0.000 1.081 237 R CB -0.349 29.943 30.300 -0.013 0.000 1.215 237 R HN 0.565 nan 8.270 nan 0.000 0.546 238 N N 2.402 121.025 118.700 -0.128 0.000 2.420 238 N HA 0.106 4.846 4.740 0.000 0.000 0.249 238 N C -1.968 173.436 175.510 -0.177 0.000 1.033 238 N CA -1.739 51.224 53.050 -0.144 0.000 0.944 238 N CB 1.618 40.071 38.487 -0.056 0.000 1.113 238 N HN -0.212 nan 8.380 nan 0.000 0.502 239 P HA -0.108 nan 4.420 nan 0.000 0.220 239 P C 0.347 177.721 177.300 0.123 0.000 1.148 239 P CA 1.150 64.041 63.100 -0.347 0.000 0.803 239 P CB 0.249 31.579 31.700 -0.617 0.000 0.782 240 E N -0.624 119.674 120.200 0.162 0.000 2.338 240 E HA -0.109 4.241 4.350 0.000 0.000 0.197 240 E C 1.758 178.425 176.600 0.111 0.000 1.007 240 E CA 0.660 57.177 56.400 0.195 0.000 0.849 240 E CB -0.186 29.599 29.700 0.143 0.000 0.774 240 E HN 0.315 nan 8.360 nan 0.000 0.506 241 R N -0.306 120.238 120.500 0.074 0.000 2.335 241 R HA 0.178 4.519 4.340 0.000 0.000 0.210 241 R C 1.835 178.175 176.300 0.067 0.000 0.892 241 R CA -0.072 56.058 56.100 0.050 0.000 1.048 241 R CB 0.364 30.680 30.300 0.027 0.000 1.067 241 R HN 0.086 nan 8.270 nan 0.000 0.524 242 L N 0.532 121.824 121.223 0.114 0.000 2.478 242 L HA 0.100 4.440 4.340 0.000 0.000 0.223 242 L C 0.426 177.413 176.870 0.196 0.000 1.140 242 L CA 0.796 55.732 54.840 0.159 0.000 0.842 242 L CB 0.083 42.233 42.059 0.151 0.000 0.953 242 L HN 0.042 nan 8.230 nan 0.000 0.452 243 L N -2.035 119.244 121.223 0.094 0.000 2.409 243 L HA 0.472 4.812 4.340 0.000 0.000 0.255 243 L C -2.424 174.286 176.870 -0.267 0.000 1.027 243 L CA -2.127 52.645 54.840 -0.113 0.000 0.834 243 L CB 1.885 43.804 42.059 -0.235 0.000 1.426 243 L HN -0.349 nan 8.230 nan 0.000 0.411 244 P HA -0.047 nan 4.420 nan 0.000 0.264 244 P C -1.216 175.745 177.300 -0.566 0.000 1.179 244 P CA 0.060 62.644 63.100 -0.860 0.000 0.763 244 P CB 0.351 31.107 31.700 -1.572 0.000 0.806 245 K N 5.134 125.281 120.400 -0.422 0.000 2.234 245 K HA 0.290 4.610 4.320 0.000 0.000 0.277 245 K C -2.435 173.991 176.600 -0.291 0.000 1.038 245 K CA -2.153 53.991 56.287 -0.238 0.000 0.888 245 K CB 0.614 33.059 32.500 -0.091 0.000 1.091 245 K HN 0.265 nan 8.250 nan 0.000 0.467 246 P HA 0.178 nan 4.420 nan 0.000 0.274 246 P C -2.643 174.318 177.300 -0.566 0.000 1.237 246 P CA -1.400 61.210 63.100 -0.816 0.000 0.793 246 P CB -0.310 30.341 31.700 -1.747 0.000 0.977 247 P HA -0.002 nan 4.420 nan 0.000 0.267 247 P C 0.692 177.880 177.300 -0.186 0.000 1.205 247 P CA 0.191 63.152 63.100 -0.231 0.000 0.765 247 P CB 0.416 32.045 31.700 -0.117 0.000 0.828 248 A N 4.107 126.901 122.820 -0.044 0.000 1.892 248 A HA -0.086 4.234 4.320 0.000 0.000 0.218 248 A C 1.165 178.824 177.584 0.124 0.000 1.188 248 A CA 2.265 54.339 52.037 0.061 0.000 0.631 248 A CB -1.144 17.892 19.000 0.059 0.000 0.822 248 A HN 0.718 nan 8.150 nan 0.000 0.447 249 T N -5.217 109.395 114.554 0.097 0.000 2.816 249 T HA 0.625 4.975 4.350 0.000 0.000 0.299 249 T C -1.281 173.482 174.700 0.104 0.000 1.230 249 T CA -0.814 61.356 62.100 0.116 0.000 1.007 249 T CB 1.327 70.244 68.868 0.081 0.000 1.289 249 T HN 0.154 nan 8.240 nan 0.000 0.508 250 L N 1.248 122.535 121.223 0.106 0.000 2.408 250 L HA 0.657 4.997 4.340 0.000 0.000 0.268 250 L C -1.006 175.904 176.870 0.067 0.000 0.986 250 L CA -0.984 53.916 54.840 0.100 0.000 0.820 250 L CB 1.696 43.834 42.059 0.133 0.000 1.303 250 L HN 0.824 nan 8.230 nan 0.000 0.411 251 L N 3.358 124.614 121.223 0.054 0.000 2.281 251 L HA 0.667 5.007 4.340 0.000 0.000 0.285 251 L C 0.183 177.076 176.870 0.038 0.000 1.074 251 L CA 0.327 55.189 54.840 0.037 0.000 0.817 251 L CB 1.071 43.146 42.059 0.026 0.000 1.168 251 L HN 0.831 nan 8.230 nan 0.000 0.434 252 T N 1.102 115.673 114.554 0.028 0.000 2.887 252 T HA 0.807 5.158 4.350 0.000 0.000 0.288 252 T C -0.442 174.261 174.700 0.005 0.000 1.021 252 T CA -0.768 61.347 62.100 0.025 0.000 1.000 252 T CB 1.654 70.538 68.868 0.028 0.000 1.034 252 T HN 0.647 nan 8.240 nan 0.000 0.467 253 S N 1.178 116.876 115.700 -0.004 0.000 2.548 253 S HA 0.603 5.073 4.470 0.000 0.000 0.278 253 S C -1.044 173.534 174.600 -0.036 0.000 1.150 253 S CA -0.541 57.645 58.200 -0.024 0.000 0.907 253 S CB 1.342 64.527 63.200 -0.025 0.000 1.108 253 S HN 1.377 nan 8.310 nan 0.000 0.459 254 T N 1.489 116.010 114.554 -0.055 0.000 2.864 254 T HA 0.627 4.977 4.350 0.000 0.000 0.310 254 T C -0.264 174.360 174.700 -0.127 0.000 1.040 254 T CA -0.610 61.447 62.100 -0.072 0.000 0.977 254 T CB 0.677 69.509 68.868 -0.060 0.000 0.976 254 T HN 0.492 nan 8.240 nan 0.000 0.459 255 V N 3.831 123.647 119.914 -0.162 0.000 2.686 255 V HA 0.412 4.532 4.120 0.000 0.000 0.295 255 V C 0.878 176.634 176.094 -0.564 0.000 1.055 255 V CA -0.206 61.891 62.300 -0.338 0.000 1.050 255 V CB 1.399 33.032 31.823 -0.317 0.000 0.984 255 V HN 1.033 nan 8.190 nan 0.000 0.482 256 T N 5.179 119.300 114.554 -0.721 0.000 2.856 256 T HA 0.713 5.063 4.350 0.000 0.000 0.283 256 T C -0.949 173.170 174.700 -0.968 0.000 1.008 256 T CA -0.078 61.639 62.100 -0.639 0.000 0.997 256 T CB 0.631 69.323 68.868 -0.292 0.000 0.992 256 T HN 0.354 nan 8.240 nan 0.000 0.454 257 F N 1.618 121.403 119.950 -0.274 0.000 2.539 257 F HA 0.396 4.923 4.527 0.000 0.000 0.318 257 F C 0.064 175.610 175.800 -0.423 0.000 1.135 257 F CA -1.237 56.454 58.000 -0.515 0.000 0.915 257 F CB 1.490 39.797 39.000 -1.156 0.000 1.176 257 F HN 0.395 nan 8.300 nan 0.000 0.440 258 D N 2.159 122.481 120.400 -0.130 0.000 2.280 258 D HA 0.183 4.823 4.640 0.000 0.000 0.243 258 D C 0.376 176.677 176.300 0.002 0.000 1.129 258 D CA -0.265 53.720 54.000 -0.025 0.000 0.848 258 D CB 0.859 41.669 40.800 0.016 0.000 1.107 258 D HN 0.483 nan 8.370 nan 0.000 0.471 259 W N 3.397 124.780 121.300 0.139 0.000 2.354 259 W HA -0.151 4.509 4.660 0.000 0.000 0.315 259 W C 2.463 179.038 176.519 0.094 0.000 1.206 259 W CA 0.934 58.372 57.345 0.156 0.000 1.290 259 W CB -0.457 29.097 29.460 0.156 0.000 1.152 259 W HN 0.629 nan 8.180 nan 0.000 0.489 260 A N 0.372 123.372 122.820 0.300 0.000 1.923 260 A HA -0.238 4.082 4.320 0.000 0.000 0.222 260 A C 1.917 179.589 177.584 0.147 0.000 1.258 260 A CA 2.233 54.378 52.037 0.179 0.000 0.670 260 A CB -1.507 17.566 19.000 0.122 0.000 0.834 260 A HN 0.346 nan 8.150 nan 0.000 0.470 261 G N -2.478 106.394 108.800 0.121 0.000 4.291 261 G HA2 0.467 4.427 3.960 0.000 0.000 0.304 261 G HA3 0.467 4.427 3.960 0.000 0.000 0.304 261 G C -0.145 174.806 174.900 0.085 0.000 1.264 261 G CA -0.025 45.130 45.100 0.092 0.000 1.039 261 G HN 0.255 nan 8.290 nan 0.000 0.578 262 M N 2.901 122.586 119.600 0.143 0.000 2.480 262 M HA 0.301 4.781 4.480 0.000 0.000 0.320 262 M C 0.752 177.219 176.300 0.278 0.000 1.141 262 M CA -0.628 54.752 55.300 0.134 0.000 1.102 262 M CB 0.308 32.910 32.600 0.004 0.000 1.249 262 M HN 0.148 nan 8.290 nan 0.000 0.446 263 T N -1.155 113.506 114.554 0.178 0.000 2.860 263 T HA 0.209 4.559 4.350 0.000 0.000 0.299 263 T C 1.031 175.734 174.700 0.004 0.000 1.045 263 T CA -0.310 61.880 62.100 0.150 0.000 1.071 263 T CB 0.858 69.769 68.868 0.070 0.000 0.985 263 T HN 0.713 nan 8.240 nan 0.000 0.537 264 E N 0.891 120.899 120.200 -0.321 0.000 2.169 264 E HA -0.263 4.087 4.350 0.000 0.000 0.202 264 E C 2.195 178.644 176.600 -0.252 0.000 1.016 264 E CA 1.575 57.511 56.400 -0.774 0.000 0.817 264 E CB -0.547 28.769 29.700 -0.639 0.000 0.736 264 E HN 0.831 nan 8.360 nan 0.000 0.462 265 A N 0.254 123.005 122.820 -0.116 0.000 1.970 265 A HA 0.096 4.416 4.320 0.000 0.000 0.216 265 A C 2.218 179.782 177.584 -0.034 0.000 1.170 265 A CA 1.276 53.279 52.037 -0.056 0.000 0.645 265 A CB -0.300 18.678 19.000 -0.036 0.000 0.816 265 A HN 0.365 nan 8.150 nan 0.000 0.447 266 A N -1.189 121.622 122.820 -0.015 0.000 1.898 266 A HA 0.122 4.443 4.320 0.000 0.000 0.214 266 A C 1.969 179.530 177.584 -0.038 0.000 1.183 266 A CA 1.210 53.231 52.037 -0.026 0.000 0.622 266 A CB -0.681 18.310 19.000 -0.016 0.000 0.824 266 A HN 0.545 nan 8.150 nan 0.000 0.444 267 F N 2.218 122.098 119.950 -0.116 0.000 2.043 267 F HA -0.283 4.244 4.527 0.000 0.000 0.297 267 F C 2.875 178.633 175.800 -0.071 0.000 1.121 267 F CA 2.400 60.361 58.000 -0.066 0.000 1.199 267 F CB -0.444 38.597 39.000 0.069 0.000 0.968 267 F HN 0.339 nan 8.300 nan 0.000 0.478 268 S N 0.456 116.176 115.700 0.033 0.000 2.359 268 S HA -0.356 4.114 4.470 0.000 0.000 0.223 268 S C 2.141 176.670 174.600 -0.118 0.000 1.039 268 S CA 1.519 59.693 58.200 -0.043 0.000 1.042 268 S CB -0.897 62.300 63.200 -0.005 0.000 0.915 268 S HN 0.470 nan 8.310 nan 0.000 0.439 269 R N 1.221 121.662 120.500 -0.098 0.000 2.120 269 R HA 0.063 4.403 4.340 0.000 0.000 0.234 269 R C 2.178 178.402 176.300 -0.128 0.000 1.123 269 R CA 1.391 57.437 56.100 -0.091 0.000 0.975 269 R CB -1.198 29.061 30.300 -0.068 0.000 0.866 269 R HN 0.511 nan 8.270 nan 0.000 0.446 270 L N -0.171 120.925 121.223 -0.212 0.000 1.976 270 L HA -0.040 4.300 4.340 0.000 0.000 0.209 270 L C 1.828 178.566 176.870 -0.221 0.000 1.071 270 L CA 1.757 56.436 54.840 -0.269 0.000 0.746 270 L CB -0.807 40.972 42.059 -0.467 0.000 0.890 270 L HN 0.256 nan 8.230 nan 0.000 0.432 271 L N -0.389 120.642 121.223 -0.320 0.000 2.083 271 L HA -0.147 4.193 4.340 0.000 0.000 0.209 271 L C 2.739 179.580 176.870 -0.048 0.000 1.083 271 L CA 1.547 56.254 54.840 -0.221 0.000 0.752 271 L CB -0.758 41.092 42.059 -0.349 0.000 0.899 271 L HN 0.230 nan 8.230 nan 0.000 0.433 272 R N -0.375 120.087 120.500 -0.063 0.000 2.080 272 R HA -0.178 4.162 4.340 0.000 0.000 0.236 272 R C 2.117 178.429 176.300 0.019 0.000 1.137 272 R CA 2.029 58.122 56.100 -0.012 0.000 0.943 272 R CB -0.601 29.684 30.300 -0.025 0.000 0.846 272 R HN 0.525 nan 8.270 nan 0.000 0.431 273 N N -0.564 118.137 118.700 0.002 0.000 2.069 273 N HA -0.234 4.506 4.740 0.000 0.000 0.191 273 N C 1.959 177.518 175.510 0.081 0.000 1.031 273 N CA 1.179 54.242 53.050 0.021 0.000 0.852 273 N CB -0.277 38.197 38.487 -0.023 0.000 1.018 273 N HN 0.323 nan 8.380 nan 0.000 0.423 274 H N 0.454 119.522 119.070 -0.002 0.000 2.293 274 H HA -0.073 4.484 4.556 0.000 0.000 0.300 274 H C 2.111 177.584 175.328 0.242 0.000 1.082 274 H CA 1.941 58.042 56.048 0.087 0.000 1.308 274 H CB -0.426 29.343 29.762 0.012 0.000 1.375 274 H HN 0.269 nan 8.280 nan 0.000 0.495 275 G N 0.312 109.231 108.800 0.199 0.000 2.446 275 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 275 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 275 G C 1.662 176.635 174.900 0.123 0.000 1.168 275 G CA 0.874 46.069 45.100 0.158 0.000 0.771 275 G HN 0.512 nan 8.290 nan 0.000 0.551 276 E N -1.058 119.197 120.200 0.091 0.000 2.158 276 E HA -0.040 4.310 4.350 0.000 0.000 0.191 276 E C 1.970 178.577 176.600 0.012 0.000 0.982 276 E CA 0.224 56.650 56.400 0.043 0.000 0.823 276 E CB -0.161 29.555 29.700 0.026 0.000 0.766 276 E HN 0.637 nan 8.360 nan 0.000 0.468 277 W N 0.428 121.648 121.300 -0.134 0.000 2.355 277 W HA -0.238 4.422 4.660 0.000 0.000 0.309 277 W C 1.526 177.866 176.519 -0.298 0.000 1.206 277 W CA 1.420 58.617 57.345 -0.246 0.000 1.284 277 W CB -0.276 28.976 29.460 -0.347 0.000 1.145 277 W HN 0.047 nan 8.180 nan 0.000 0.502 278 Y N 1.063 121.412 120.300 0.081 0.000 2.256 278 Y HA -0.239 4.312 4.550 0.000 0.000 0.288 278 Y C 2.401 178.205 175.900 -0.161 0.000 1.155 278 Y CA 2.322 60.400 58.100 -0.036 0.000 1.203 278 Y CB -0.670 37.791 38.460 0.002 0.000 0.980 278 Y HN 0.103 nan 8.280 nan 0.000 0.530 279 E N -0.499 119.691 120.200 -0.015 0.000 2.106 279 E HA -0.188 4.162 4.350 0.000 0.000 0.192 279 E C 2.077 178.584 176.600 -0.156 0.000 0.984 279 E CA 0.943 57.316 56.400 -0.044 0.000 0.806 279 E CB -0.094 29.595 29.700 -0.019 0.000 0.750 279 E HN 0.475 nan 8.360 nan 0.000 0.458 280 R N 0.174 120.489 120.500 -0.309 0.000 2.246 280 R HA 0.110 4.450 4.340 0.000 0.000 0.199 280 R C 0.653 176.668 176.300 -0.476 0.000 0.984 280 R CA 0.407 56.289 56.100 -0.362 0.000 1.015 280 R CB 0.299 30.363 30.300 -0.393 0.000 0.930 280 R HN 0.069 nan 8.270 nan 0.000 0.475 281 N N -0.079 118.195 118.700 -0.711 0.000 2.497 281 N HA 0.121 4.861 4.740 0.000 0.000 0.284 281 N C -0.582 174.669 175.510 -0.431 0.000 1.459 281 N CA 0.064 52.656 53.050 -0.764 0.000 0.899 281 N CB 1.778 39.248 38.487 -1.694 0.000 1.316 281 N HN -0.093 nan 8.380 nan 0.000 0.500 282 S N -0.280 115.295 115.700 -0.209 0.000 2.754 282 S HA 0.208 4.679 4.470 0.000 0.000 0.247 282 S C 0.894 175.484 174.600 -0.016 0.000 1.031 282 S CA -0.572 57.608 58.200 -0.033 0.000 1.014 282 S CB 0.964 64.213 63.200 0.081 0.000 0.918 282 S HN 0.382 nan 8.310 nan 0.000 0.519 283 G N 2.424 111.198 108.800 -0.043 0.000 2.444 283 G HA2 0.400 4.360 3.960 0.000 0.000 0.268 283 G HA3 0.400 4.360 3.960 0.000 0.000 0.268 283 G C -1.878 173.017 174.900 -0.007 0.000 1.203 283 G CA -1.359 43.727 45.100 -0.023 0.000 0.835 283 G HN 0.016 nan 8.290 nan 0.000 0.543 284 P HA -0.099 nan 4.420 nan 0.000 0.218 284 P C 0.865 178.165 177.300 0.001 0.000 1.146 284 P CA 1.181 64.282 63.100 0.003 0.000 0.820 284 P CB 0.372 32.078 31.700 0.009 0.000 0.778 285 D N -2.109 118.291 120.400 -0.001 0.000 2.369 285 D HA 0.052 4.692 4.640 0.000 0.000 0.211 285 D C 0.479 176.778 176.300 -0.002 0.000 1.077 285 D CA 0.210 54.209 54.000 -0.002 0.000 0.842 285 D CB 0.021 40.821 40.800 -0.000 0.000 0.947 285 D HN 0.056 nan 8.370 nan 0.000 0.509 286 S N 1.599 117.301 115.700 0.004 0.000 2.558 286 S HA 0.009 4.480 4.470 0.000 0.000 0.288 286 S C -1.498 173.116 174.600 0.023 0.000 1.318 286 S CA -0.892 57.326 58.200 0.029 0.000 1.056 286 S CB 1.314 64.540 63.200 0.044 0.000 0.853 286 S HN -0.124 nan 8.310 nan 0.000 0.505 287 P HA -0.019 nan 4.420 nan 0.000 0.225 287 P C -0.161 177.034 177.300 -0.175 0.000 1.148 287 P CA 1.110 64.141 63.100 -0.116 0.000 0.779 287 P CB -0.020 31.557 31.700 -0.206 0.000 0.780 288 Y N -1.190 119.123 120.300 0.021 0.000 2.532 288 Y HA 0.035 4.585 4.550 0.000 0.000 0.283 288 Y C 2.016 177.955 175.900 0.066 0.000 1.181 288 Y CA 0.415 58.562 58.100 0.079 0.000 1.256 288 Y CB -0.994 37.550 38.460 0.141 0.000 1.112 288 Y HN 0.018 nan 8.280 nan 0.000 0.521 289 T N -4.152 110.472 114.554 0.118 0.000 2.881 289 T HA -0.131 4.219 4.350 0.000 0.000 0.270 289 T C 2.098 176.824 174.700 0.044 0.000 1.068 289 T CA 1.247 63.385 62.100 0.063 0.000 1.131 289 T CB -0.437 68.415 68.868 -0.027 0.000 0.871 289 T HN 0.434 nan 8.240 nan 0.000 0.479 290 G N 0.488 109.300 108.800 0.021 0.000 3.088 290 G HA2 0.411 4.372 3.960 0.000 0.000 0.212 290 G HA3 0.411 4.372 3.960 0.000 0.000 0.212 290 G C 0.151 175.112 174.900 0.103 0.000 1.173 290 G CA -0.408 44.697 45.100 0.008 0.000 0.779 290 G HN 0.559 nan 8.290 nan 0.000 0.540 291 L N 0.277 121.617 121.223 0.195 0.000 2.325 291 L HA 0.766 5.106 4.340 0.000 0.000 0.278 291 L C -0.925 176.162 176.870 0.361 0.000 1.023 291 L CA -1.309 53.673 54.840 0.237 0.000 0.811 291 L CB 1.925 44.154 42.059 0.283 0.000 1.249 291 L HN 0.216 nan 8.230 nan 0.000 0.431 292 W N 5.016 126.385 121.300 0.115 0.000 3.167 292 W HA 0.671 5.331 4.660 0.000 0.000 0.324 292 W C -1.922 174.679 176.519 0.136 0.000 1.230 292 W CA -0.432 57.024 57.345 0.185 0.000 1.184 292 W CB 1.878 31.440 29.460 0.170 0.000 1.414 292 W HN 0.736 nan 8.180 nan 0.000 0.551 293 S N 2.816 117.926 115.700 -0.983 0.000 2.567 293 S HA 0.504 4.974 4.470 0.000 0.000 0.270 293 S C -1.691 172.265 174.600 -1.073 0.000 1.152 293 S CA -0.896 56.773 58.200 -0.885 0.000 0.835 293 S CB 1.889 64.941 63.200 -0.248 0.000 1.115 293 S HN 0.580 nan 8.310 nan 0.000 0.459 294 Q N 1.646 121.063 119.800 -0.639 0.000 2.321 294 Q HA 0.589 4.929 4.340 0.000 0.000 0.270 294 Q C -1.302 174.531 176.000 -0.278 0.000 1.032 294 Q CA -0.914 54.638 55.803 -0.419 0.000 0.784 294 Q CB 2.057 30.614 28.738 -0.302 0.000 1.264 294 Q HN 0.723 nan 8.270 nan 0.000 0.448 295 L N 4.205 125.271 121.223 -0.261 0.000 2.325 295 L HA 0.373 4.714 4.340 0.000 0.000 0.284 295 L C -0.889 175.835 176.870 -0.243 0.000 1.089 295 L CA -0.269 54.415 54.840 -0.260 0.000 0.836 295 L CB 0.505 42.257 42.059 -0.511 0.000 1.184 295 L HN 0.751 nan 8.230 nan 0.000 0.444 296 M N 7.039 126.492 119.600 -0.245 0.000 2.047 296 M HA 0.388 4.869 4.480 0.000 0.000 0.342 296 M C -0.682 175.518 176.300 -0.166 0.000 1.058 296 M CA -0.067 55.020 55.300 -0.354 0.000 0.991 296 M CB 1.251 33.489 32.600 -0.603 0.000 1.474 296 M HN 0.416 nan 8.290 nan 0.000 0.419 297 I N 3.136 123.625 120.570 -0.136 0.000 2.412 297 I HA 0.584 4.754 4.170 0.000 0.000 0.279 297 I C 0.414 176.543 176.117 0.020 0.000 1.063 297 I CA -0.352 60.700 61.300 -0.413 0.000 1.193 297 I CB 0.727 38.513 38.000 -0.357 0.000 1.370 297 I HN 0.763 nan 8.210 nan 0.000 0.479 298 G N 3.990 112.885 108.800 0.158 0.000 2.694 298 G HA2 0.215 4.175 3.960 0.000 0.000 0.290 298 G HA3 0.215 4.175 3.960 0.000 0.000 0.290 298 G C -0.848 174.240 174.900 0.314 0.000 1.386 298 G CA -0.707 44.529 45.100 0.226 0.000 0.872 298 G HN 0.476 nan 8.290 nan 0.000 0.475 299 N N -0.435 118.286 118.700 0.035 0.000 2.147 299 N HA -0.089 4.651 4.740 0.000 0.000 0.243 299 N C -0.707 174.944 175.510 0.235 0.000 1.234 299 N CA 0.951 54.012 53.050 0.019 0.000 0.847 299 N CB 0.417 38.871 38.487 -0.056 0.000 1.083 299 N HN 0.431 nan 8.380 nan 0.000 0.457 300 E N 0.793 121.087 120.200 0.157 0.000 2.191 300 E HA 0.409 4.759 4.350 0.000 0.000 0.263 300 E C -1.052 175.623 176.600 0.126 0.000 0.881 300 E CA -0.710 55.803 56.400 0.189 0.000 0.757 300 E CB 1.916 31.736 29.700 0.200 0.000 1.147 300 E HN 0.228 nan 8.360 nan 0.000 0.414 301 V N 3.441 123.430 119.914 0.125 0.000 2.540 301 V HA 0.322 4.443 4.120 0.000 0.000 0.302 301 V C -1.802 174.323 176.094 0.051 0.000 1.035 301 V CA -1.665 60.680 62.300 0.075 0.000 0.873 301 V CB 1.580 33.441 31.823 0.062 0.000 0.992 301 V HN 0.582 nan 8.190 nan 0.000 0.428 302 P HA 0.022 nan 4.420 nan 0.000 0.217 302 P C 1.086 178.393 177.300 0.012 0.000 1.150 302 P CA 1.096 64.211 63.100 0.025 0.000 0.832 302 P CB 0.266 31.977 31.700 0.020 0.000 0.787 303 G N -1.292 107.510 108.800 0.004 0.000 4.294 303 G HA2 0.358 4.318 3.960 0.000 0.000 0.301 303 G HA3 0.358 4.318 3.960 0.000 0.000 0.301 303 G C 0.347 175.233 174.900 -0.023 0.000 1.321 303 G CA -0.032 45.063 45.100 -0.009 0.000 1.190 303 G HN 0.161 nan 8.290 nan 0.000 0.600 304 M N 0.162 119.749 119.600 -0.021 0.000 2.622 304 M HA 0.176 4.656 4.480 0.000 0.000 0.456 304 M C 1.416 177.697 176.300 -0.032 0.000 1.168 304 M CA -0.059 55.212 55.300 -0.047 0.000 0.930 304 M CB 0.869 33.418 32.600 -0.084 0.000 1.919 304 M HN 0.376 nan 8.290 nan 0.000 0.640 305 G N 2.355 111.150 108.800 -0.007 0.000 2.093 305 G HA2 -0.266 3.694 3.960 0.000 0.000 0.268 305 G HA3 -0.266 3.694 3.960 0.000 0.000 0.268 305 G C 0.412 175.315 174.900 0.006 0.000 0.697 305 G CA 1.913 47.016 45.100 0.005 0.000 0.827 305 G HN 0.719 nan 8.290 nan 0.000 0.445 306 E N -1.241 118.965 120.200 0.010 0.000 2.641 306 E HA 0.084 4.434 4.350 0.000 0.000 0.201 306 E C 1.584 178.224 176.600 0.066 0.000 0.921 306 E CA 0.474 56.887 56.400 0.022 0.000 1.551 306 E CB -0.100 29.614 29.700 0.023 0.000 1.640 306 E HN 0.431 nan 8.360 nan 0.000 0.906 307 S N -0.328 115.417 115.700 0.074 0.000 2.641 307 S HA 0.609 5.079 4.470 0.000 0.000 0.251 307 S C 1.100 175.851 174.600 0.252 0.000 1.332 307 S CA 0.056 58.397 58.200 0.234 0.000 0.968 307 S CB 0.541 63.874 63.200 0.220 0.000 0.987 307 S HN 0.826 nan 8.310 nan 0.000 0.587 308 G N -0.602 108.411 108.800 0.354 0.000 2.549 308 G HA2 -0.028 3.932 3.960 0.000 0.000 0.404 308 G HA3 -0.028 3.932 3.960 0.000 0.000 0.404 308 G C -0.898 174.231 174.900 0.382 0.000 1.292 308 G CA -0.462 44.851 45.100 0.354 0.000 0.935 308 G HN 1.100 nan 8.290 nan 0.000 0.512 309 F N 2.307 122.369 119.950 0.187 0.000 2.293 309 F HA 0.685 5.212 4.527 0.000 0.000 0.370 309 F C 0.931 176.797 175.800 0.110 0.000 1.090 309 F CA -0.915 57.129 58.000 0.073 0.000 1.133 309 F CB 0.280 39.112 39.000 -0.279 0.000 1.360 309 F HN 0.664 nan 8.300 nan 0.000 0.489 310 M N 4.963 124.799 119.600 0.393 0.000 2.631 310 M HA 0.531 5.012 4.480 0.000 0.000 0.288 310 M C -1.544 174.855 176.300 0.165 0.000 1.260 310 M CA -1.018 54.404 55.300 0.202 0.000 0.842 310 M CB 2.902 35.530 32.600 0.047 0.000 1.743 310 M HN 0.487 nan 8.290 nan 0.000 0.461 311 M N 2.602 122.254 119.600 0.087 0.000 1.956 311 M HA 0.456 4.936 4.480 0.000 0.000 0.256 311 M C -2.745 173.536 176.300 -0.031 0.000 0.869 311 M CA -1.456 53.874 55.300 0.051 0.000 0.886 311 M CB 1.539 34.260 32.600 0.202 0.000 1.739 311 M HN 0.342 nan 8.290 nan 0.000 0.381 312 P HA 0.207 nan 4.420 nan 0.000 0.267 312 P C -1.082 176.174 177.300 -0.073 0.000 1.209 312 P CA 0.514 63.578 63.100 -0.060 0.000 0.763 312 P CB 0.331 32.000 31.700 -0.052 0.000 0.816 313 I N 3.029 123.575 120.570 -0.040 0.000 2.846 313 I HA 0.536 4.706 4.170 0.000 0.000 0.307 313 I C 0.091 176.230 176.117 0.037 0.000 1.053 313 I CA -0.859 60.408 61.300 -0.055 0.000 1.050 313 I CB 2.129 40.070 38.000 -0.098 0.000 1.239 313 I HN 0.325 nan 8.210 nan 0.000 0.439 314 Q N 2.964 122.822 119.800 0.097 0.000 2.391 314 Q HA 0.786 5.126 4.340 0.000 0.000 0.279 314 Q C -1.755 174.322 176.000 0.128 0.000 1.028 314 Q CA -0.941 54.944 55.803 0.136 0.000 0.836 314 Q CB 3.090 31.959 28.738 0.218 0.000 1.414 314 Q HN 0.471 nan 8.270 nan 0.000 0.397 315 V N 0.894 120.863 119.914 0.091 0.000 2.760 315 V HA 0.330 4.450 4.120 0.000 0.000 0.309 315 V C -1.373 174.759 176.094 0.063 0.000 1.077 315 V CA -0.625 61.720 62.300 0.076 0.000 0.910 315 V CB 2.002 33.848 31.823 0.039 0.000 1.008 315 V HN 0.938 nan 8.190 nan 0.000 0.424 316 D N 5.348 125.778 120.400 0.051 0.000 2.426 316 D HA 0.145 4.785 4.640 0.000 0.000 0.261 316 D C 0.845 177.153 176.300 0.013 0.000 1.245 316 D CA 0.805 54.821 54.000 0.028 0.000 0.917 316 D CB 1.598 42.393 40.800 -0.008 0.000 1.123 316 D HN 0.852 nan 8.370 nan 0.000 0.508 317 A N 3.493 126.327 122.820 0.024 0.000 2.291 317 A HA 0.045 4.365 4.320 0.000 0.000 0.220 317 A C 1.866 179.456 177.584 0.009 0.000 1.262 317 A CA 0.116 52.164 52.037 0.017 0.000 0.867 317 A CB -0.195 18.822 19.000 0.028 0.000 0.888 317 A HN 0.612 nan 8.150 nan 0.000 0.487 318 T N 0.315 114.870 114.554 0.001 0.000 2.701 318 T HA -0.049 4.302 4.350 0.000 0.000 0.263 318 T C 1.099 175.795 174.700 -0.008 0.000 1.040 318 T CA 0.802 62.900 62.100 -0.003 0.000 1.147 318 T CB -0.130 68.734 68.868 -0.007 0.000 0.865 318 T HN 0.555 nan 8.240 nan 0.000 0.426 319 R N 1.769 122.257 120.500 -0.019 0.000 2.585 319 R HA 0.071 4.412 4.340 0.000 0.000 0.275 319 R C -1.749 174.539 176.300 -0.019 0.000 1.018 319 R CA -0.987 55.097 56.100 -0.025 0.000 1.072 319 R CB 0.124 30.396 30.300 -0.045 0.000 0.953 319 R HN 0.192 nan 8.270 nan 0.000 0.419 320 P HA -0.123 nan 4.420 nan 0.000 0.223 320 P C 0.057 177.348 177.300 -0.015 0.000 1.151 320 P CA 1.025 64.118 63.100 -0.011 0.000 0.787 320 P CB 0.158 31.853 31.700 -0.008 0.000 0.788 321 D N -0.936 119.448 120.400 -0.025 0.000 2.370 321 D HA 0.121 4.762 4.640 0.000 0.000 0.230 321 D C 1.308 177.585 176.300 -0.038 0.000 1.143 321 D CA -0.208 53.774 54.000 -0.030 0.000 0.834 321 D CB -0.514 40.263 40.800 -0.038 0.000 0.944 321 D HN 0.026 nan 8.370 nan 0.000 0.504 322 A N 0.654 123.456 122.820 -0.031 0.000 2.067 322 A HA -0.104 4.216 4.320 0.000 0.000 0.219 322 A C 2.269 179.847 177.584 -0.011 0.000 1.158 322 A CA 0.952 52.970 52.037 -0.031 0.000 0.661 322 A CB -0.510 18.480 19.000 -0.018 0.000 0.801 322 A HN 0.257 nan 8.150 nan 0.000 0.452 323 R N -0.892 119.607 120.500 -0.002 0.000 2.127 323 R HA 0.071 4.411 4.340 0.000 0.000 0.217 323 R C 2.282 178.593 176.300 0.018 0.000 1.074 323 R CA 0.875 56.980 56.100 0.009 0.000 0.991 323 R CB -0.193 30.112 30.300 0.007 0.000 0.895 323 R HN 0.470 nan 8.270 nan 0.000 0.450 324 R N 0.326 120.833 120.500 0.012 0.000 2.073 324 R HA -0.059 4.281 4.340 0.000 0.000 0.234 324 R C 2.158 178.488 176.300 0.050 0.000 1.134 324 R CA 1.521 57.636 56.100 0.024 0.000 0.952 324 R CB -0.284 30.023 30.300 0.011 0.000 0.850 324 R HN 0.223 nan 8.270 nan 0.000 0.433 325 L N 0.598 121.829 121.223 0.014 0.000 2.042 325 L HA -0.234 4.107 4.340 0.000 0.000 0.210 325 L C 2.523 179.509 176.870 0.193 0.000 1.076 325 L CA 1.026 55.879 54.840 0.022 0.000 0.749 325 L CB -0.557 41.370 42.059 -0.219 0.000 0.893 325 L HN 0.375 nan 8.230 nan 0.000 0.432 326 L N -0.208 121.075 121.223 0.101 0.000 2.056 326 L HA -0.218 4.122 4.340 0.000 0.000 0.207 326 L C 2.073 179.001 176.870 0.096 0.000 1.078 326 L CA 1.966 56.861 54.840 0.091 0.000 0.749 326 L CB -0.692 41.388 42.059 0.035 0.000 0.901 326 L HN 0.341 nan 8.230 nan 0.000 0.433 327 D N 0.201 120.645 120.400 0.073 0.000 2.123 327 D HA -0.089 4.551 4.640 0.000 0.000 0.200 327 D C 2.235 178.570 176.300 0.058 0.000 0.976 327 D CA 1.337 55.366 54.000 0.048 0.000 0.831 327 D CB 0.102 40.921 40.800 0.032 0.000 0.974 327 D HN 0.410 nan 8.370 nan 0.000 0.469 328 A N 0.754 123.642 122.820 0.113 0.000 1.892 328 A HA -0.279 4.041 4.320 0.000 0.000 0.218 328 A C 2.052 179.677 177.584 0.069 0.000 1.188 328 A CA 2.264 54.386 52.037 0.143 0.000 0.631 328 A CB -1.109 18.053 19.000 0.270 0.000 0.822 328 A HN 0.385 nan 8.150 nan 0.000 0.447 329 H N -0.057 118.994 119.070 -0.032 0.000 2.251 329 H HA -0.132 4.424 4.556 0.000 0.000 0.294 329 H C 1.809 176.871 175.328 -0.443 0.000 1.078 329 H CA 2.364 58.129 56.048 -0.471 0.000 1.246 329 H CB -0.328 29.142 29.762 -0.487 0.000 1.358 329 H HN 0.412 nan 8.280 nan 0.000 0.488 330 I N 0.705 121.181 120.570 -0.157 0.000 2.163 330 I HA -0.291 3.879 4.170 0.000 0.000 0.243 330 I C 2.685 178.703 176.117 -0.164 0.000 1.085 330 I CA 1.911 63.129 61.300 -0.136 0.000 1.347 330 I CB -0.616 37.373 38.000 -0.018 0.000 1.044 330 I HN 0.580 nan 8.210 nan 0.000 0.408 331 E N 2.066 122.201 120.200 -0.108 0.000 2.085 331 E HA -0.286 4.064 4.350 0.000 0.000 0.194 331 E C 2.201 178.744 176.600 -0.095 0.000 0.994 331 E CA 1.753 58.109 56.400 -0.074 0.000 0.801 331 E CB -0.095 29.587 29.700 -0.030 0.000 0.743 331 E HN 0.493 nan 8.360 nan 0.000 0.453 332 A N 0.871 123.603 122.820 -0.147 0.000 1.930 332 A HA -0.082 4.238 4.320 0.000 0.000 0.217 332 A C 2.434 179.918 177.584 -0.165 0.000 1.175 332 A CA 1.470 53.430 52.037 -0.129 0.000 0.627 332 A CB -0.463 18.482 19.000 -0.091 0.000 0.815 332 A HN 0.230 nan 8.150 nan 0.000 0.443 333 V N 0.503 120.245 119.914 -0.288 0.000 2.488 333 V HA -0.149 3.971 4.120 0.000 0.000 0.246 333 V C 2.234 178.275 176.094 -0.088 0.000 1.046 333 V CA 1.663 63.833 62.300 -0.216 0.000 1.053 333 V CB -0.647 30.983 31.823 -0.321 0.000 0.679 333 V HN 0.759 nan 8.190 nan 0.000 0.458 334 I N -1.521 119.012 120.570 -0.062 0.000 3.684 334 I HA 0.209 4.380 4.170 0.000 0.000 0.304 334 I C 0.575 176.680 176.117 -0.020 0.000 1.278 334 I CA 0.043 61.345 61.300 0.004 0.000 1.272 334 I CB -0.321 37.688 38.000 0.015 0.000 1.029 334 I HN 0.114 nan 8.210 nan 0.000 0.458 335 D N 2.033 122.409 120.400 -0.041 0.000 2.425 335 D HA 0.318 4.958 4.640 0.000 0.000 0.247 335 D C 1.504 177.785 176.300 -0.030 0.000 1.147 335 D CA 1.445 55.426 54.000 -0.033 0.000 0.879 335 D CB 0.898 41.678 40.800 -0.033 0.000 1.179 335 D HN 0.458 nan 8.370 nan 0.000 0.456 336 G N 2.451 111.237 108.800 -0.024 0.000 2.189 336 G HA2 -0.252 3.709 3.960 0.000 0.000 0.267 336 G HA3 -0.252 3.709 3.960 0.000 0.000 0.267 336 G C 0.357 175.242 174.900 -0.026 0.000 0.975 336 G CA 0.476 45.563 45.100 -0.023 0.000 0.644 336 G HN 0.628 nan 8.290 nan 0.000 0.537 337 V N 0.989 120.888 119.914 -0.025 0.000 2.217 337 V HA 0.295 4.415 4.120 0.000 0.000 0.264 337 V C -0.667 175.427 176.094 -0.001 0.000 1.107 337 V CA -0.608 61.678 62.300 -0.023 0.000 0.913 337 V CB 1.122 32.922 31.823 -0.038 0.000 1.153 337 V HN 0.084 nan 8.190 nan 0.000 0.469 338 P HA 0.008 nan 4.420 nan 0.000 0.222 338 P C -1.294 176.001 177.300 -0.008 0.000 1.147 338 P CA 0.711 63.806 63.100 -0.009 0.000 0.790 338 P CB -0.705 30.989 31.700 -0.010 0.000 0.780 339 P HA 0.051 nan 4.420 nan 0.000 0.244 339 P C 0.164 177.463 177.300 -0.002 0.000 1.211 339 P CA 0.492 63.592 63.100 -0.001 0.000 0.760 339 P CB -0.405 31.293 31.700 -0.004 0.000 0.961 340 A N 0.604 123.422 122.820 -0.003 0.000 2.371 340 A HA 0.372 4.693 4.320 0.000 0.000 0.257 340 A C 0.061 177.514 177.584 -0.218 0.000 1.089 340 A CA -0.131 51.814 52.037 -0.153 0.000 0.794 340 A CB 0.100 19.068 19.000 -0.053 0.000 1.029 340 A HN 0.022 nan 8.150 nan 0.000 0.488 341 E N 1.269 121.258 120.200 -0.352 0.000 2.267 341 E HA 0.411 4.761 4.350 0.000 0.000 0.248 341 E C -1.370 175.073 176.600 -0.262 0.000 0.899 341 E CA -0.399 55.854 56.400 -0.246 0.000 0.764 341 E CB 1.437 31.010 29.700 -0.212 0.000 1.227 341 E HN 0.615 nan 8.360 nan 0.000 0.421 342 V N 6.105 125.908 119.914 -0.184 0.000 2.370 342 V HA 0.692 4.812 4.120 0.000 0.000 0.279 342 V C -2.291 173.742 176.094 -0.103 0.000 1.029 342 V CA -1.442 60.769 62.300 -0.149 0.000 0.870 342 V CB 1.000 32.754 31.823 -0.114 0.000 0.984 342 V HN 0.711 nan 8.190 nan 0.000 0.451 343 P HA 0.453 nan 4.420 nan 0.000 0.284 343 P C -0.785 176.487 177.300 -0.047 0.000 1.287 343 P CA -0.721 62.340 63.100 -0.065 0.000 0.824 343 P CB 0.756 32.417 31.700 -0.065 0.000 1.180 344 E N 1.072 121.251 120.200 -0.035 0.000 2.417 344 E HA 0.120 4.470 4.350 0.000 0.000 0.261 344 E C -1.887 174.700 176.600 -0.021 0.000 1.000 344 E CA -1.053 55.332 56.400 -0.024 0.000 0.919 344 E CB -0.393 29.296 29.700 -0.019 0.000 0.955 344 E HN 0.272 nan 8.360 nan 0.000 0.455 345 P HA 0.085 nan 4.420 nan 0.000 0.266 345 P C -0.299 176.999 177.300 -0.004 0.000 1.195 345 P CA 0.346 63.441 63.100 -0.009 0.000 0.768 345 P CB 0.471 32.169 31.700 -0.002 0.000 0.838 346 I N 1.055 121.625 120.570 -0.001 0.000 2.562 346 I HA 0.289 4.459 4.170 0.000 0.000 0.301 346 I C 0.638 176.762 176.117 0.013 0.000 1.003 346 I CA -0.792 60.510 61.300 0.004 0.000 1.127 346 I CB 1.764 39.764 38.000 0.000 0.000 1.304 346 I HN 0.300 nan 8.210 nan 0.000 0.446 347 E N 6.233 126.443 120.200 0.017 0.000 2.046 347 E HA 0.201 4.551 4.350 0.000 0.000 0.279 347 E C -0.961 175.657 176.600 0.030 0.000 0.989 347 E CA -0.623 55.793 56.400 0.027 0.000 0.798 347 E CB 0.758 30.474 29.700 0.027 0.000 1.086 347 E HN 0.535 nan 8.360 nan 0.000 0.399 348 Q N 4.206 124.027 119.800 0.036 0.000 2.235 348 Q HA 0.446 4.786 4.340 0.000 0.000 0.256 348 Q C -0.485 175.550 176.000 0.059 0.000 0.951 348 Q CA -0.989 54.833 55.803 0.033 0.000 0.890 348 Q CB 1.921 30.665 28.738 0.011 0.000 1.279 348 Q HN 0.347 nan 8.270 nan 0.000 0.444 349 R N 1.128 121.664 120.500 0.059 0.000 2.539 349 R HA 0.113 4.453 4.340 0.000 0.000 0.275 349 R C -0.268 176.095 176.300 0.106 0.000 1.077 349 R CA -0.566 55.598 56.100 0.107 0.000 1.097 349 R CB 0.706 31.072 30.300 0.110 0.000 1.018 349 R HN 0.683 nan 8.270 nan 0.000 0.483 350 W N 5.200 126.456 121.300 -0.073 0.000 2.409 350 W HA -0.143 4.517 4.660 0.000 0.000 0.338 350 W C 0.129 176.521 176.519 -0.212 0.000 1.273 350 W CA 0.382 57.600 57.345 -0.212 0.000 1.299 350 W CB 0.262 29.485 29.460 -0.394 0.000 1.192 350 W HN 0.636 nan 8.180 nan 0.000 0.565 351 L N 4.496 125.198 121.223 -0.870 0.000 3.829 351 L HA -0.361 3.979 4.340 0.000 0.000 0.440 351 L C 1.426 178.171 176.870 -0.210 0.000 1.192 351 L CA 0.507 54.990 54.840 -0.595 0.000 0.848 351 L CB -1.769 39.940 42.059 -0.584 0.000 1.744 351 L HN 0.627 nan 8.230 nan 0.000 0.920 352 A N -1.267 121.467 122.820 -0.142 0.000 1.874 352 A HA 0.053 4.374 4.320 0.000 0.000 0.214 352 A C 1.632 179.186 177.584 -0.050 0.000 1.189 352 A CA 1.688 53.699 52.037 -0.043 0.000 0.615 352 A CB 0.115 19.106 19.000 -0.016 0.000 0.830 352 A HN 0.363 nan 8.150 nan 0.000 0.443 353 S N 0.471 116.123 115.700 -0.080 0.000 2.399 353 S HA 0.275 4.745 4.470 0.000 0.000 0.198 353 S C -0.396 174.158 174.600 -0.078 0.000 1.294 353 S CA -0.077 58.087 58.200 -0.060 0.000 1.237 353 S CB -0.208 62.966 63.200 -0.044 0.000 1.286 353 S HN 0.549 nan 8.310 nan 0.000 0.404 354 T N 1.859 116.359 114.554 -0.091 0.000 2.891 354 T HA 0.479 4.829 4.350 0.000 0.000 0.315 354 T C -1.201 173.463 174.700 -0.059 0.000 1.054 354 T CA -1.229 60.812 62.100 -0.097 0.000 0.958 354 T CB 0.344 69.128 68.868 -0.139 0.000 1.008 354 T HN 0.298 nan 8.240 nan 0.000 0.521 355 P HA 0.392 nan 4.420 nan 0.000 0.293 355 P C 0.632 177.916 177.300 -0.026 0.000 1.285 355 P CA -0.162 62.919 63.100 -0.032 0.000 0.775 355 P CB 0.010 31.694 31.700 -0.027 0.000 1.351 356 G N -1.888 106.899 108.800 -0.021 0.000 5.005 356 G HA2 0.033 3.993 3.960 0.000 0.000 0.222 356 G HA3 0.033 3.993 3.960 0.000 0.000 0.222 356 G C -0.230 174.659 174.900 -0.017 0.000 1.437 356 G CA -0.480 44.609 45.100 -0.018 0.000 0.894 356 G HN 0.252 nan 8.290 nan 0.000 0.394 357 R N 1.333 121.823 120.500 -0.018 0.000 2.235 357 R HA 0.620 4.960 4.340 0.000 0.000 0.338 357 R C 0.655 176.941 176.300 -0.023 0.000 1.087 357 R CA 0.277 56.365 56.100 -0.019 0.000 0.948 357 R CB 0.396 30.684 30.300 -0.019 0.000 1.099 357 R HN 1.293 nan 8.270 nan 0.000 0.483 358 G N 0.989 109.774 108.800 -0.026 0.000 3.209 358 G HA2 -0.053 3.907 3.960 0.000 0.000 0.686 358 G HA3 -0.053 3.907 3.960 0.000 0.000 0.686 358 G C -0.247 174.632 174.900 -0.035 0.000 1.065 358 G CA -0.611 44.469 45.100 -0.033 0.000 0.812 358 G HN 0.708 nan 8.290 nan 0.000 0.573 359 G N 0.666 109.441 108.800 -0.041 0.000 2.388 359 G HA2 0.858 4.818 3.960 0.000 0.000 0.330 359 G HA3 0.858 4.818 3.960 0.000 0.000 0.330 359 G C 0.454 175.314 174.900 -0.066 0.000 1.142 359 G CA 0.678 45.750 45.100 -0.047 0.000 0.908 359 G HN 1.444 nan 8.290 nan 0.000 0.473 360 R N 0.159 120.610 120.500 -0.082 0.000 3.548 360 R HA -0.124 4.217 4.340 0.000 0.000 0.584 360 R C 1.147 177.374 176.300 -0.122 0.000 0.241 360 R CA 2.578 58.607 56.100 -0.118 0.000 1.804 360 R CB -0.944 29.282 30.300 -0.123 0.000 0.899 360 R HN 2.243 nan 8.270 nan 0.000 0.609 361 G N -1.609 107.101 108.800 -0.150 0.000 2.013 361 G HA2 -0.047 3.913 3.960 0.000 0.000 0.076 361 G HA3 -0.047 3.913 3.960 0.000 0.000 0.076 361 G C -2.552 172.216 174.900 -0.221 0.000 1.053 361 G CA -0.414 44.591 45.100 -0.158 0.000 1.230 361 G HN 0.633 nan 8.290 nan 0.000 0.431 362 P HA 0.461 nan 4.420 nan 0.000 0.258 362 P C 0.148 177.161 177.300 -0.478 0.000 1.172 362 P CA 0.895 63.791 63.100 -0.340 0.000 0.762 362 P CB 0.710 32.247 31.700 -0.273 0.000 0.764 363 A N 3.553 125.942 122.820 -0.719 0.000 2.492 363 A HA 0.475 4.795 4.320 0.000 0.000 0.254 363 A C 0.554 177.325 177.584 -1.354 0.000 1.091 363 A CA 0.237 51.652 52.037 -1.036 0.000 0.768 363 A CB -0.250 17.996 19.000 -1.257 0.000 1.028 363 A HN 0.573 nan 8.150 nan 0.000 0.498 364 S N 1.332 116.517 115.700 -0.859 0.000 2.627 364 S HA 0.798 5.268 4.470 0.000 0.000 0.283 364 S C -0.862 173.711 174.600 -0.045 0.000 1.127 364 S CA -0.980 56.954 58.200 -0.444 0.000 0.863 364 S CB 1.821 64.944 63.200 -0.128 0.000 1.121 364 S HN 0.745 nan 8.310 nan 0.000 0.479 365 K N 0.726 121.250 120.400 0.208 0.000 2.507 365 K HA 0.647 4.967 4.320 0.000 0.000 0.252 365 K C -1.478 175.163 176.600 0.069 0.000 0.943 365 K CA -0.075 56.349 56.287 0.229 0.000 0.808 365 K CB 1.760 34.463 32.500 0.339 0.000 1.142 365 K HN 0.751 nan 8.250 nan 0.000 0.426 366 T N 4.477 118.980 114.554 -0.084 0.000 2.812 366 T HA 0.482 4.833 4.350 0.000 0.000 0.282 366 T C -0.975 173.579 174.700 -0.243 0.000 0.990 366 T CA -0.755 61.170 62.100 -0.292 0.000 0.960 366 T CB 0.842 69.243 68.868 -0.778 0.000 0.948 366 T HN 0.452 nan 8.240 nan 0.000 0.438 367 K N 1.557 121.860 120.400 -0.162 0.000 2.267 367 K HA 0.876 5.196 4.320 0.000 0.000 0.246 367 K C -0.717 175.957 176.600 0.124 0.000 0.954 367 K CA -0.899 55.263 56.287 -0.209 0.000 0.824 367 K CB 2.206 34.300 32.500 -0.676 0.000 1.167 367 K HN 0.634 nan 8.250 nan 0.000 0.431 368 A N 0.692 123.646 122.820 0.225 0.000 2.469 368 A HA 0.903 5.224 4.320 0.000 0.000 0.299 368 A C -0.921 176.945 177.584 0.471 0.000 1.098 368 A CA -0.678 51.579 52.037 0.368 0.000 0.737 368 A CB 2.021 21.203 19.000 0.303 0.000 1.312 368 A HN 0.728 nan 8.150 nan 0.000 0.414 369 G N -0.757 108.278 108.800 0.392 0.000 2.720 369 G HA2 0.552 4.512 3.960 0.000 0.000 0.295 369 G HA3 0.552 4.512 3.960 0.000 0.000 0.295 369 G C -1.884 173.103 174.900 0.145 0.000 1.437 369 G CA -0.406 44.854 45.100 0.266 0.000 0.886 369 G HN 0.507 nan 8.290 nan 0.000 0.509 370 Y N -0.148 120.215 120.300 0.105 0.000 2.320 370 Y HA 0.652 5.202 4.550 0.000 0.000 0.324 370 Y C 0.601 176.562 175.900 0.103 0.000 1.190 370 Y CA -0.288 57.851 58.100 0.066 0.000 1.215 370 Y CB 1.800 40.279 38.460 0.032 0.000 1.221 370 Y HN 0.246 nan 8.280 nan 0.000 0.486 371 L N 3.847 125.238 121.223 0.279 0.000 2.365 371 L HA 0.535 4.875 4.340 0.000 0.000 0.273 371 L C 0.421 177.409 176.870 0.196 0.000 1.000 371 L CA -0.645 54.320 54.840 0.210 0.000 0.819 371 L CB 2.147 44.304 42.059 0.164 0.000 1.284 371 L HN 0.692 nan 8.230 nan 0.000 0.418 372 R N 0.829 121.419 120.500 0.149 0.000 2.279 372 R HA 0.298 4.638 4.340 0.000 0.000 0.195 372 R C 0.015 176.374 176.300 0.098 0.000 0.905 372 R CA 0.116 56.288 56.100 0.120 0.000 1.044 372 R CB 0.673 31.026 30.300 0.088 0.000 1.056 372 R HN 0.466 nan 8.270 nan 0.000 0.535 373 K N 0.808 121.264 120.400 0.095 0.000 2.430 373 K HA 0.313 4.633 4.320 0.000 0.000 0.268 373 K C -0.881 175.772 176.600 0.088 0.000 1.043 373 K CA -1.087 55.247 56.287 0.078 0.000 0.899 373 K CB 2.185 34.719 32.500 0.057 0.000 1.472 373 K HN -0.054 nan 8.250 nan 0.000 0.451 374 R N 0.724 121.270 120.500 0.077 0.000 2.784 374 R HA 0.146 4.486 4.340 0.000 0.000 0.266 374 R C -0.339 176.003 176.300 0.070 0.000 1.044 374 R CA -0.332 55.817 56.100 0.080 0.000 1.151 374 R CB -0.078 30.265 30.300 0.071 0.000 1.037 374 R HN 0.372 nan 8.270 nan 0.000 0.478 375 L N 2.377 123.640 121.223 0.067 0.000 2.514 375 L HA 0.028 4.369 4.340 0.000 0.000 0.280 375 L C 1.013 177.903 176.870 0.033 0.000 1.223 375 L CA 0.147 55.015 54.840 0.047 0.000 0.864 375 L CB 0.318 42.399 42.059 0.036 0.000 1.118 375 L HN 0.925 nan 8.230 nan 0.000 0.494 376 T N -2.021 112.546 114.554 0.023 0.000 2.766 376 T HA 0.039 4.389 4.350 0.000 0.000 0.295 376 T C 0.876 175.586 174.700 0.017 0.000 1.024 376 T CA -0.784 61.328 62.100 0.019 0.000 1.018 376 T CB 0.892 69.768 68.868 0.014 0.000 1.002 376 T HN 0.536 nan 8.240 nan 0.000 0.532 377 D N 0.888 121.298 120.400 0.017 0.000 2.116 377 D HA -0.158 4.482 4.640 0.000 0.000 0.193 377 D C 2.339 178.656 176.300 0.028 0.000 0.998 377 D CA 1.740 55.752 54.000 0.021 0.000 0.836 377 D CB -0.200 40.608 40.800 0.014 0.000 0.951 377 D HN 0.786 nan 8.370 nan 0.000 0.449 378 R N 0.765 121.274 120.500 0.016 0.000 2.115 378 R HA -0.033 4.307 4.340 0.000 0.000 0.230 378 R C 2.146 178.450 176.300 0.006 0.000 1.111 378 R CA 0.905 57.012 56.100 0.012 0.000 0.976 378 R CB -0.484 29.816 30.300 -0.001 0.000 0.870 378 R HN 0.213 nan 8.270 nan 0.000 0.445 379 Q N 0.994 120.789 119.800 -0.008 0.000 2.046 379 Q HA -0.025 4.315 4.340 0.000 0.000 0.200 379 Q C 2.252 178.270 176.000 0.031 0.000 0.975 379 Q CA 1.523 57.305 55.803 -0.035 0.000 0.836 379 Q CB -0.125 28.571 28.738 -0.070 0.000 0.896 379 Q HN 0.377 nan 8.270 nan 0.000 0.428 380 I N 0.797 121.410 120.570 0.071 0.000 2.248 380 I HA -0.329 3.842 4.170 0.000 0.000 0.248 380 I C 2.540 178.825 176.117 0.280 0.000 1.107 380 I CA 1.146 62.543 61.300 0.163 0.000 1.373 380 I CB -0.198 37.861 38.000 0.099 0.000 1.055 380 I HN 0.257 nan 8.210 nan 0.000 0.418 381 Q N 1.303 121.208 119.800 0.175 0.000 2.119 381 Q HA -0.150 4.190 4.340 0.000 0.000 0.201 381 Q C 2.140 178.243 176.000 0.172 0.000 0.972 381 Q CA 2.213 58.122 55.803 0.178 0.000 0.847 381 Q CB -0.329 28.468 28.738 0.098 0.000 0.903 381 Q HN 0.491 nan 8.270 nan 0.000 0.433 382 A N -0.552 122.326 122.820 0.096 0.000 1.930 382 A HA -0.092 4.228 4.320 0.000 0.000 0.217 382 A C 2.256 179.868 177.584 0.047 0.000 1.175 382 A CA 1.514 53.571 52.037 0.034 0.000 0.627 382 A CB -0.746 18.227 19.000 -0.046 0.000 0.815 382 A HN 0.261 nan 8.150 nan 0.000 0.443 383 V N -1.421 118.565 119.914 0.122 0.000 2.295 383 V HA -0.308 3.812 4.120 0.000 0.000 0.246 383 V C 2.315 178.466 176.094 0.096 0.000 1.049 383 V CA 2.188 64.590 62.300 0.170 0.000 1.024 383 V CB -1.119 30.906 31.823 0.336 0.000 0.648 383 V HN 0.701 nan 8.190 nan 0.000 0.447 384 Y N 0.939 121.195 120.300 -0.074 0.000 2.089 384 Y HA -0.234 4.316 4.550 0.000 0.000 0.282 384 Y C 2.779 178.585 175.900 -0.157 0.000 1.139 384 Y CA 2.113 59.981 58.100 -0.387 0.000 1.123 384 Y CB -0.171 38.048 38.460 -0.401 0.000 0.980 384 Y HN 0.184 nan 8.280 nan 0.000 0.493 385 E N 0.411 120.652 120.200 0.068 0.000 2.086 385 E HA -0.303 4.047 4.350 0.000 0.000 0.205 385 E C 1.887 178.546 176.600 0.098 0.000 1.027 385 E CA 1.757 58.218 56.400 0.102 0.000 0.830 385 E CB -0.569 29.206 29.700 0.124 0.000 0.751 385 E HN 0.603 nan 8.360 nan 0.000 0.456 386 N N -0.234 118.478 118.700 0.020 0.000 2.216 386 N HA -0.051 4.689 4.740 0.000 0.000 0.183 386 N C 1.738 177.340 175.510 0.153 0.000 1.017 386 N CA 0.707 53.780 53.050 0.037 0.000 0.861 386 N CB -0.081 38.295 38.487 -0.185 0.000 0.986 386 N HN 0.155 nan 8.380 nan 0.000 0.428 387 M N 0.647 120.246 119.600 -0.001 0.000 2.549 387 M HA -0.024 4.456 4.480 0.000 0.000 0.260 387 M C 1.447 177.455 176.300 -0.486 0.000 1.076 387 M CA 0.938 56.159 55.300 -0.132 0.000 1.090 387 M CB -1.023 31.485 32.600 -0.154 0.000 1.418 387 M HN 0.041 nan 8.290 nan 0.000 0.486 388 T N -1.566 112.670 114.554 -0.530 0.000 2.939 388 T HA -0.022 4.328 4.350 0.000 0.000 0.254 388 T C 0.220 174.536 174.700 -0.641 0.000 1.041 388 T CA 0.820 62.481 62.100 -0.731 0.000 1.142 388 T CB -0.169 68.140 68.868 -0.932 0.000 0.874 388 T HN 0.429 nan 8.240 nan 0.000 0.452 389 H N 2.074 121.065 119.070 -0.131 0.000 2.741 389 H HA 0.459 5.015 4.556 0.000 0.000 0.261 389 H C 0.249 175.607 175.328 0.048 0.000 1.365 389 H CA -0.366 55.651 56.048 -0.051 0.000 1.266 389 H CB -0.393 29.357 29.762 -0.020 0.000 1.485 389 H HN 0.279 nan 8.280 nan 0.000 0.529 390 M N -0.435 119.129 119.600 -0.059 0.000 3.287 390 M HA 0.371 4.851 4.480 0.000 0.000 0.336 390 M C -1.510 174.615 176.300 -0.291 0.000 1.573 390 M CA -0.874 54.267 55.300 -0.264 0.000 0.609 390 M CB 0.460 32.703 32.600 -0.594 0.000 1.421 390 M HN 0.080 nan 8.290 nan 0.000 0.476 391 D N 2.009 122.311 120.400 -0.163 0.000 2.346 391 D HA 0.456 5.096 4.640 0.000 0.000 0.260 391 D C 1.380 177.576 176.300 -0.174 0.000 1.252 391 D CA 1.210 55.126 54.000 -0.140 0.000 0.895 391 D CB 0.757 41.512 40.800 -0.076 0.000 1.097 391 D HN 0.800 nan 8.370 nan 0.000 0.489 392 G N 2.144 110.839 108.800 -0.175 0.000 2.157 392 G HA2 -0.236 3.724 3.960 0.000 0.000 0.248 392 G HA3 -0.236 3.724 3.960 0.000 0.000 0.248 392 G C 0.104 174.841 174.900 -0.271 0.000 0.979 392 G CA -0.575 44.425 45.100 -0.166 0.000 0.650 392 G HN 0.458 nan 8.290 nan 0.000 0.529 393 I N 2.008 122.349 120.570 -0.381 0.000 2.379 393 I HA 0.246 4.416 4.170 0.000 0.000 0.290 393 I C 1.062 177.132 176.117 -0.077 0.000 1.063 393 I CA -0.696 60.320 61.300 -0.473 0.000 1.351 393 I CB 0.917 38.412 38.000 -0.842 0.000 1.410 393 I HN -0.057 nan 8.210 nan 0.000 0.505 394 D N 4.846 125.470 120.400 0.374 0.000 2.097 394 D HA -0.171 4.469 4.640 0.000 0.000 0.195 394 D C 0.095 176.516 176.300 0.202 0.000 0.989 394 D CA 1.952 56.100 54.000 0.246 0.000 0.827 394 D CB 0.023 40.968 40.800 0.241 0.000 0.966 394 D HN 0.544 nan 8.370 nan 0.000 0.456 395 Y N -0.672 119.665 120.300 0.061 0.000 2.401 395 Y HA 0.524 5.074 4.550 0.000 0.000 0.330 395 Y C -0.690 175.179 175.900 -0.051 0.000 1.071 395 Y CA -0.779 57.317 58.100 -0.007 0.000 1.049 395 Y CB 1.806 40.278 38.460 0.021 0.000 1.239 395 Y HN -0.066 nan 8.280 nan 0.000 0.437 396 G N 2.813 111.127 108.800 -0.810 0.000 2.682 396 G HA2 0.868 4.828 3.960 0.000 0.000 0.300 396 G HA3 0.868 4.828 3.960 0.000 0.000 0.300 396 G C -1.958 172.592 174.900 -0.583 0.000 1.391 396 G CA -0.356 44.290 45.100 -0.757 0.000 0.990 396 G HN 1.171 nan 8.290 nan 0.000 0.501 397 A N 0.234 122.940 122.820 -0.190 0.000 2.601 397 A HA 0.820 5.140 4.320 0.000 0.000 0.291 397 A C -1.715 175.940 177.584 0.119 0.000 1.075 397 A CA -0.534 51.498 52.037 -0.008 0.000 0.671 397 A CB 1.599 20.622 19.000 0.039 0.000 1.277 397 A HN 1.450 nan 8.150 nan 0.000 0.417 398 V N 0.604 120.628 119.914 0.183 0.000 2.531 398 V HA 0.556 4.676 4.120 0.000 0.000 0.301 398 V C -1.490 174.778 176.094 0.291 0.000 1.034 398 V CA -0.364 61.977 62.300 0.069 0.000 0.865 398 V CB 1.558 33.387 31.823 0.009 0.000 0.995 398 V HN 0.764 nan 8.190 nan 0.000 0.424 399 W N 5.264 126.455 121.300 -0.182 0.000 2.429 399 W HA 0.715 5.375 4.660 0.000 0.000 0.314 399 W C -0.691 175.726 176.519 -0.170 0.000 1.062 399 W CA -1.450 55.816 57.345 -0.131 0.000 1.211 399 W CB 1.226 30.653 29.460 -0.055 0.000 1.305 399 W HN 0.294 nan 8.180 nan 0.000 0.476 400 L N 5.185 126.416 121.223 0.013 0.000 2.276 400 L HA 0.457 4.797 4.340 0.000 0.000 0.286 400 L C -0.234 176.588 176.870 -0.079 0.000 1.024 400 L CA -0.276 54.532 54.840 -0.054 0.000 0.826 400 L CB 0.567 42.554 42.059 -0.120 0.000 1.211 400 L HN 0.206 nan 8.230 nan 0.000 0.422 401 I N 3.022 123.576 120.570 -0.027 0.000 2.354 401 I HA 0.347 4.517 4.170 0.000 0.000 0.286 401 I C 0.989 177.090 176.117 -0.026 0.000 1.007 401 I CA -0.444 60.855 61.300 -0.001 0.000 1.167 401 I CB 1.526 39.728 38.000 0.337 0.000 1.320 401 I HN 0.649 nan 8.210 nan 0.000 0.458 402 G N 5.092 113.707 108.800 -0.308 0.000 2.287 402 G HA2 0.052 4.012 3.960 0.000 0.000 0.235 402 G HA3 0.052 4.012 3.960 0.000 0.000 0.235 402 G C -1.078 174.178 174.900 0.593 0.000 1.258 402 G CA 0.589 45.667 45.100 -0.035 0.000 0.884 402 G HN 0.511 nan 8.290 nan 0.000 0.518 403 Y N 0.613 121.102 120.300 0.316 0.000 2.900 403 Y HA 0.603 5.154 4.550 0.000 0.000 0.318 403 Y C 0.822 176.899 175.900 0.295 0.000 1.457 403 Y CA 0.494 58.788 58.100 0.323 0.000 1.082 403 Y CB 1.217 39.781 38.460 0.173 0.000 1.419 403 Y HN 1.562 nan 8.280 nan 0.000 0.459 404 G N 0.815 109.416 108.800 -0.332 0.000 2.545 404 G HA2 0.305 4.265 3.960 0.000 0.000 0.240 404 G HA3 0.305 4.265 3.960 0.000 0.000 0.240 404 G C 0.872 175.706 174.900 -0.110 0.000 1.172 404 G CA 0.842 45.852 45.100 -0.151 0.000 0.949 404 G HN 2.262 nan 8.290 nan 0.000 0.574 405 G N -0.298 108.502 108.800 -0.001 0.000 2.622 405 G HA2 -0.202 3.758 3.960 0.000 0.000 0.307 405 G HA3 -0.202 3.758 3.960 0.000 0.000 0.307 405 G C 1.034 175.924 174.900 -0.015 0.000 1.226 405 G CA 1.589 46.693 45.100 0.007 0.000 0.997 405 G HN 1.695 nan 8.290 nan 0.000 0.551 406 K N 0.322 120.719 120.400 -0.006 0.000 2.442 406 K HA 0.248 4.568 4.320 0.000 0.000 0.198 406 K C 2.562 179.171 176.600 0.015 0.000 1.044 406 K CA 1.150 57.450 56.287 0.021 0.000 0.948 406 K CB -0.532 32.007 32.500 0.064 0.000 0.762 406 K HN 0.380 nan 8.250 nan 0.000 0.472 407 V N 1.454 121.340 119.914 -0.047 0.000 2.332 407 V HA -0.257 3.863 4.120 0.000 0.000 0.248 407 V C 1.210 177.289 176.094 -0.025 0.000 1.055 407 V CA 1.726 63.983 62.300 -0.070 0.000 1.038 407 V CB -0.459 31.178 31.823 -0.311 0.000 0.651 407 V HN 0.387 nan 8.190 nan 0.000 0.450 408 N N 0.330 119.010 118.700 -0.033 0.000 2.521 408 N HA -0.074 4.666 4.740 0.000 0.000 0.188 408 N C 1.774 177.296 175.510 0.020 0.000 1.146 408 N CA 1.239 54.289 53.050 0.000 0.000 0.893 408 N CB -0.301 38.185 38.487 -0.002 0.000 0.975 408 N HN 0.728 nan 8.380 nan 0.000 0.451 409 T N -2.860 111.709 114.554 0.025 0.000 3.118 409 T HA 0.092 4.442 4.350 0.000 0.000 0.260 409 T C 0.752 175.480 174.700 0.047 0.000 1.139 409 T CA 0.048 62.169 62.100 0.035 0.000 1.085 409 T CB -0.141 68.750 68.868 0.039 0.000 0.934 409 T HN -0.213 nan 8.240 nan 0.000 0.518 410 V N 1.749 121.695 119.914 0.053 0.000 2.532 410 V HA 0.379 4.499 4.120 0.000 0.000 0.295 410 V C 0.014 176.155 176.094 0.079 0.000 1.041 410 V CA -1.279 61.064 62.300 0.073 0.000 0.926 410 V CB 1.494 33.365 31.823 0.080 0.000 0.992 410 V HN 0.369 nan 8.190 nan 0.000 0.457 411 D N 4.591 125.048 120.400 0.095 0.000 2.389 411 D HA 0.195 4.835 4.640 0.000 0.000 0.247 411 D C -1.577 174.793 176.300 0.116 0.000 1.128 411 D CA -1.115 52.942 54.000 0.096 0.000 0.884 411 D CB 1.622 42.482 40.800 0.100 0.000 1.194 411 D HN 0.260 nan 8.370 nan 0.000 0.441 412 P HA -0.185 nan 4.420 nan 0.000 0.217 412 P C 0.404 177.810 177.300 0.176 0.000 1.148 412 P CA 1.287 64.456 63.100 0.113 0.000 0.834 412 P CB 0.144 31.896 31.700 0.087 0.000 0.783 413 A N -0.939 121.990 122.820 0.182 0.000 2.195 413 A HA 0.319 4.639 4.320 0.000 0.000 0.210 413 A C 2.142 179.936 177.584 0.350 0.000 1.165 413 A CA 0.836 53.018 52.037 0.242 0.000 0.806 413 A CB -1.004 18.075 19.000 0.131 0.000 0.847 413 A HN 0.152 nan 8.150 nan 0.000 0.482 414 A N 0.044 123.037 122.820 0.289 0.000 2.019 414 A HA 0.150 4.470 4.320 0.000 0.000 0.219 414 A C 1.557 179.404 177.584 0.438 0.000 1.164 414 A CA 1.870 54.110 52.037 0.337 0.000 0.644 414 A CB -0.677 18.463 19.000 0.234 0.000 0.805 414 A HN 0.724 nan 8.150 nan 0.000 0.449 415 T N -6.387 108.357 114.554 0.315 0.000 2.831 415 T HA 0.647 4.998 4.350 0.000 0.000 0.287 415 T C 0.826 175.385 174.700 -0.234 0.000 1.070 415 T CA -0.023 62.039 62.100 -0.063 0.000 1.010 415 T CB 1.361 70.137 68.868 -0.153 0.000 1.264 415 T HN 0.528 nan 8.240 nan 0.000 0.532 416 A N -0.100 122.176 122.820 -0.906 0.000 2.168 416 A HA 0.351 4.671 4.320 0.000 0.000 0.215 416 A C 1.008 178.511 177.584 -0.136 0.000 1.152 416 A CA 0.294 51.852 52.037 -0.798 0.000 0.716 416 A CB -0.943 17.429 19.000 -1.047 0.000 0.794 416 A HN 0.702 nan 8.150 nan 0.000 0.465 417 L N 1.122 122.315 121.223 -0.050 0.000 2.325 417 L HA 0.189 4.529 4.340 0.000 0.000 0.284 417 L C -1.284 175.646 176.870 0.101 0.000 1.089 417 L CA -1.561 53.335 54.840 0.093 0.000 0.836 417 L CB 1.095 43.222 42.059 0.113 0.000 1.184 417 L HN 0.140 nan 8.230 nan 0.000 0.444 418 P HA -0.113 nan 4.420 nan 0.000 0.225 418 P C 0.028 177.324 177.300 -0.007 0.000 1.156 418 P CA 0.675 63.826 63.100 0.085 0.000 0.787 418 P CB 0.328 32.092 31.700 0.107 0.000 0.802 419 Q N 0.654 120.382 119.800 -0.119 0.000 2.472 419 Q HA 0.191 4.531 4.340 0.000 0.000 0.227 419 Q C 0.559 176.518 176.000 -0.067 0.000 1.156 419 Q CA 0.293 55.943 55.803 -0.255 0.000 0.924 419 Q CB 0.232 28.430 28.738 -0.900 0.000 1.354 419 Q HN -0.030 nan 8.270 nan 0.000 0.525 420 R N 1.325 121.820 120.500 -0.008 0.000 2.662 420 R HA 0.174 4.514 4.340 0.000 0.000 0.396 420 R C -0.372 175.947 176.300 0.032 0.000 1.096 420 R CA 0.058 56.178 56.100 0.033 0.000 1.081 420 R CB 0.742 31.069 30.300 0.044 0.000 1.382 420 R HN 0.512 nan 8.270 nan 0.000 0.580 421 D N -0.209 120.212 120.400 0.035 0.000 2.473 421 D HA 0.187 4.827 4.640 0.000 0.000 0.242 421 D C 0.117 176.468 176.300 0.085 0.000 1.106 421 D CA 0.160 54.186 54.000 0.045 0.000 0.854 421 D CB 1.074 41.892 40.800 0.030 0.000 1.192 421 D HN 0.112 nan 8.370 nan 0.000 0.503 422 A N 1.508 124.412 122.820 0.140 0.000 2.386 422 A HA 0.289 4.609 4.320 0.000 0.000 0.248 422 A C 1.221 178.969 177.584 0.272 0.000 1.082 422 A CA -0.130 52.059 52.037 0.253 0.000 0.789 422 A CB 0.253 19.515 19.000 0.436 0.000 1.025 422 A HN 0.244 nan 8.150 nan 0.000 0.490 423 I N -1.281 119.449 120.570 0.266 0.000 4.139 423 I HA 0.427 4.597 4.170 0.000 0.000 0.320 423 I C -0.220 176.063 176.117 0.276 0.000 1.290 423 I CA 0.636 62.100 61.300 0.273 0.000 1.253 423 I CB -0.987 37.158 38.000 0.241 0.000 1.122 423 I HN 0.410 nan 8.210 nan 0.000 0.421 424 L N 1.586 122.951 121.223 0.236 0.000 2.466 424 L HA 0.517 4.857 4.340 0.000 0.000 0.258 424 L C -0.663 176.251 176.870 0.073 0.000 0.973 424 L CA -0.538 54.366 54.840 0.107 0.000 0.826 424 L CB 2.750 44.807 42.059 -0.004 0.000 1.372 424 L HN -0.094 nan 8.230 nan 0.000 0.409 425 K N 1.674 122.040 120.400 -0.056 0.000 2.203 425 K HA 0.721 5.041 4.320 0.000 0.000 0.251 425 K C -1.382 175.182 176.600 -0.060 0.000 0.944 425 K CA -0.752 55.409 56.287 -0.210 0.000 0.829 425 K CB 3.115 35.334 32.500 -0.469 0.000 1.125 425 K HN 0.290 nan 8.250 nan 0.000 0.430 426 V N 2.652 122.533 119.914 -0.054 0.000 2.638 426 V HA 0.447 4.567 4.120 0.000 0.000 0.306 426 V C -1.680 174.282 176.094 -0.220 0.000 1.052 426 V CA -0.663 61.562 62.300 -0.125 0.000 0.885 426 V CB 1.764 33.497 31.823 -0.150 0.000 0.999 426 V HN 0.711 nan 8.190 nan 0.000 0.424 427 N N 4.781 123.283 118.700 -0.329 0.000 2.314 427 N HA 0.571 5.311 4.740 0.000 0.000 0.304 427 N C -1.708 173.513 175.510 -0.482 0.000 1.073 427 N CA -0.177 52.661 53.050 -0.354 0.000 0.822 427 N CB 1.720 39.939 38.487 -0.447 0.000 1.280 427 N HN 0.704 nan 8.380 nan 0.000 0.489 428 Y N 1.624 121.876 120.300 -0.080 0.000 2.388 428 Y HA 0.448 4.999 4.550 0.000 0.000 0.328 428 Y C -0.171 175.677 175.900 -0.087 0.000 0.963 428 Y CA -0.821 57.267 58.100 -0.020 0.000 1.240 428 Y CB 0.785 39.313 38.460 0.113 0.000 1.118 428 Y HN 0.231 nan 8.280 nan 0.000 0.484 429 I N 2.151 122.717 120.570 -0.006 0.000 2.493 429 I HA 0.559 4.729 4.170 0.000 0.000 0.298 429 I C 0.138 176.320 176.117 0.108 0.000 0.998 429 I CA -0.720 60.544 61.300 -0.060 0.000 1.137 429 I CB 1.686 39.522 38.000 -0.274 0.000 1.310 429 I HN 0.462 nan 8.210 nan 0.000 0.445 430 T N 3.116 117.786 114.554 0.195 0.000 2.916 430 T HA 0.833 5.183 4.350 0.000 0.000 0.305 430 T C -0.629 174.277 174.700 0.343 0.000 1.119 430 T CA -0.495 61.775 62.100 0.284 0.000 1.008 430 T CB 1.894 71.042 68.868 0.466 0.000 1.129 430 T HN 1.018 nan 8.240 nan 0.000 0.480 431 G N 2.147 111.153 108.800 0.342 0.000 2.706 431 G HA2 0.682 4.642 3.960 0.000 0.000 0.297 431 G HA3 0.682 4.642 3.960 0.000 0.000 0.297 431 G C -1.960 172.944 174.900 0.007 0.000 1.403 431 G CA -0.908 44.236 45.100 0.073 0.000 0.954 431 G HN 0.848 nan 8.290 nan 0.000 0.500 432 W N 0.381 121.454 121.300 -0.379 0.000 2.957 432 W HA 0.690 5.350 4.660 0.000 0.000 0.336 432 W C 0.446 176.806 176.519 -0.264 0.000 1.087 432 W CA -0.703 56.298 57.345 -0.574 0.000 1.235 432 W CB 1.578 30.394 29.460 -1.073 0.000 1.399 432 W HN 0.774 nan 8.180 nan 0.000 0.480 433 A N 2.106 124.911 122.820 -0.026 0.000 1.855 433 A HA -0.126 4.194 4.320 0.000 0.000 0.215 433 A C 0.888 178.466 177.584 -0.012 0.000 1.191 433 A CA 1.309 53.316 52.037 -0.051 0.000 0.613 433 A CB -0.586 18.407 19.000 -0.011 0.000 0.829 433 A HN 0.712 nan 8.150 nan 0.000 0.442 434 N N -0.474 118.280 118.700 0.090 0.000 2.456 434 N HA 0.239 4.979 4.740 0.000 0.000 0.288 434 N C -2.318 173.328 175.510 0.226 0.000 1.059 434 N CA -1.706 51.407 53.050 0.105 0.000 0.946 434 N CB 1.733 40.264 38.487 0.074 0.000 1.150 434 N HN -0.154 nan 8.380 nan 0.000 0.479 435 P HA -0.045 nan 4.420 nan 0.000 0.218 435 P C 1.073 178.448 177.300 0.125 0.000 1.148 435 P CA 1.045 64.275 63.100 0.216 0.000 0.822 435 P CB -0.021 31.743 31.700 0.107 0.000 0.784 436 G N -0.976 107.867 108.800 0.071 0.000 2.586 436 G HA2 -0.189 3.771 3.960 0.000 0.000 0.215 436 G HA3 -0.189 3.771 3.960 0.000 0.000 0.215 436 G C 1.057 175.951 174.900 -0.011 0.000 1.128 436 G CA 0.315 45.428 45.100 0.022 0.000 0.774 436 G HN 0.363 nan 8.290 nan 0.000 0.543 437 N N -0.117 118.577 118.700 -0.009 0.000 2.328 437 N HA 0.069 4.809 4.740 0.000 0.000 0.247 437 N C 1.160 176.469 175.510 -0.336 0.000 1.165 437 N CA -0.144 52.877 53.050 -0.047 0.000 0.873 437 N CB 0.495 39.050 38.487 0.113 0.000 1.125 437 N HN 0.433 nan 8.380 nan 0.000 0.513 438 E N 1.666 121.532 120.200 -0.557 0.000 2.072 438 E HA -0.116 4.234 4.350 0.000 0.000 0.190 438 E C 1.973 178.212 176.600 -0.602 0.000 0.982 438 E CA 0.726 56.499 56.400 -1.046 0.000 0.803 438 E CB 0.167 29.545 29.700 -0.536 0.000 0.755 438 E HN 0.328 nan 8.360 nan 0.000 0.453 439 A N 1.719 124.359 122.820 -0.301 0.000 1.869 439 A HA -0.300 4.020 4.320 0.000 0.000 0.218 439 A C 2.139 179.625 177.584 -0.164 0.000 1.203 439 A CA 2.372 54.300 52.037 -0.182 0.000 0.638 439 A CB -0.646 18.287 19.000 -0.113 0.000 0.831 439 A HN 0.120 nan 8.150 nan 0.000 0.450 440 K N -0.619 119.688 120.400 -0.154 0.000 2.057 440 K HA -0.163 4.157 4.320 0.000 0.000 0.207 440 K C 1.751 178.236 176.600 -0.192 0.000 1.049 440 K CA 2.188 58.376 56.287 -0.165 0.000 0.931 440 K CB -0.634 31.742 32.500 -0.206 0.000 0.714 440 K HN 0.717 nan 8.250 nan 0.000 0.440 441 H N -0.352 118.583 119.070 -0.225 0.000 2.363 441 H HA 0.074 4.631 4.556 0.000 0.000 0.301 441 H C 1.853 177.160 175.328 -0.036 0.000 1.074 441 H CA 1.543 57.522 56.048 -0.116 0.000 1.354 441 H CB -0.082 29.576 29.762 -0.173 0.000 1.397 441 H HN 0.015 nan 8.280 nan 0.000 0.516 442 L N 0.230 121.393 121.223 -0.100 0.000 2.012 442 L HA -0.224 4.116 4.340 0.000 0.000 0.210 442 L C 2.674 179.548 176.870 0.007 0.000 1.073 442 L CA 2.014 56.827 54.840 -0.045 0.000 0.748 442 L CB -0.873 41.119 42.059 -0.112 0.000 0.891 442 L HN 0.529 nan 8.230 nan 0.000 0.431 443 T N -3.298 111.251 114.554 -0.009 0.000 2.746 443 T HA -0.281 4.069 4.350 0.000 0.000 0.267 443 T C 1.502 176.216 174.700 0.024 0.000 1.039 443 T CA 1.059 63.156 62.100 -0.005 0.000 1.142 443 T CB -0.692 68.164 68.868 -0.020 0.000 0.866 443 T HN 0.504 nan 8.240 nan 0.000 0.444 444 W N 1.230 122.474 121.300 -0.093 0.000 2.332 444 W HA -0.082 4.578 4.660 0.000 0.000 0.321 444 W C 2.453 178.951 176.519 -0.035 0.000 1.219 444 W CA 1.458 58.755 57.345 -0.080 0.000 1.277 444 W CB -0.829 28.559 29.460 -0.120 0.000 1.161 444 W HN 0.106 nan 8.180 nan 0.000 0.476 445 V N 1.413 121.393 119.914 0.110 0.000 2.515 445 V HA -0.250 3.870 4.120 0.000 0.000 0.250 445 V C 2.437 178.436 176.094 -0.159 0.000 1.058 445 V CA 2.315 64.577 62.300 -0.063 0.000 1.064 445 V CB -0.487 31.470 31.823 0.223 0.000 0.675 445 V HN 0.200 nan 8.190 nan 0.000 0.461 446 R N -0.432 120.010 120.500 -0.097 0.000 2.075 446 R HA -0.083 4.257 4.340 0.000 0.000 0.232 446 R C 2.481 178.720 176.300 -0.101 0.000 1.126 446 R CA 1.414 57.473 56.100 -0.069 0.000 0.963 446 R CB -0.321 29.953 30.300 -0.043 0.000 0.858 446 R HN 0.418 nan 8.270 nan 0.000 0.435 447 K N 0.831 121.120 120.400 -0.184 0.000 2.020 447 K HA -0.184 4.137 4.320 0.000 0.000 0.212 447 K C 2.076 178.507 176.600 -0.282 0.000 1.050 447 K CA 1.377 57.530 56.287 -0.223 0.000 0.929 447 K CB -0.401 31.934 32.500 -0.275 0.000 0.714 447 K HN 0.190 nan 8.250 nan 0.000 0.443 448 L N 0.329 121.272 121.223 -0.466 0.000 2.012 448 L HA -0.251 4.089 4.340 0.000 0.000 0.210 448 L C 2.314 179.012 176.870 -0.286 0.000 1.073 448 L CA 1.849 56.417 54.840 -0.453 0.000 0.748 448 L CB -0.614 40.994 42.059 -0.752 0.000 0.891 448 L HN 0.225 nan 8.230 nan 0.000 0.431 449 Y N 0.826 120.888 120.300 -0.397 0.000 2.114 449 Y HA -0.248 4.302 4.550 0.000 0.000 0.284 449 Y C 2.663 178.433 175.900 -0.216 0.000 1.143 449 Y CA 2.185 60.033 58.100 -0.420 0.000 1.135 449 Y CB -0.573 37.697 38.460 -0.317 0.000 0.980 449 Y HN 0.307 nan 8.280 nan 0.000 0.499 450 A N -0.052 122.747 122.820 -0.035 0.000 1.902 450 A HA -0.205 4.115 4.320 0.000 0.000 0.217 450 A C 1.930 179.444 177.584 -0.118 0.000 1.181 450 A CA 2.026 54.032 52.037 -0.052 0.000 0.623 450 A CB -0.880 18.110 19.000 -0.016 0.000 0.818 450 A HN 0.535 nan 8.150 nan 0.000 0.443 451 D N -0.216 120.092 120.400 -0.154 0.000 2.104 451 D HA -0.123 4.518 4.640 0.000 0.000 0.194 451 D C 2.003 178.180 176.300 -0.206 0.000 0.994 451 D CA 1.523 55.431 54.000 -0.154 0.000 0.830 451 D CB -0.595 40.115 40.800 -0.150 0.000 0.959 451 D HN 0.199 nan 8.370 nan 0.000 0.452 452 V N -0.081 119.630 119.914 -0.338 0.000 2.490 452 V HA -0.229 3.891 4.120 0.000 0.000 0.250 452 V C 1.113 176.829 176.094 -0.629 0.000 1.061 452 V CA 1.407 63.396 62.300 -0.519 0.000 1.064 452 V CB -0.446 30.927 31.823 -0.751 0.000 0.670 452 V HN 0.249 nan 8.190 nan 0.000 0.461 453 Y N -1.014 119.118 120.300 -0.280 0.000 2.681 453 Y HA 0.584 5.134 4.550 0.000 0.000 0.267 453 Y C 1.777 177.578 175.900 -0.166 0.000 1.166 453 Y CA -0.299 57.648 58.100 -0.254 0.000 1.209 453 Y CB -0.561 37.652 38.460 -0.411 0.000 1.161 453 Y HN 0.096 nan 8.280 nan 0.000 0.534 454 A N 0.275 123.069 122.820 -0.043 0.000 1.892 454 A HA -0.207 4.114 4.320 0.000 0.000 0.218 454 A C 2.168 179.744 177.584 -0.013 0.000 1.188 454 A CA 1.868 53.885 52.037 -0.033 0.000 0.631 454 A CB -0.254 18.716 19.000 -0.050 0.000 0.822 454 A HN 0.367 nan 8.150 nan 0.000 0.447 455 E N -0.334 119.861 120.200 -0.010 0.000 2.219 455 E HA -0.146 4.204 4.350 0.000 0.000 0.198 455 E C 0.803 177.407 176.600 0.007 0.000 0.998 455 E CA 1.640 58.040 56.400 0.000 0.000 0.818 455 E CB -0.403 29.299 29.700 0.004 0.000 0.741 455 E HN 0.776 nan 8.360 nan 0.000 0.477 456 T N -2.721 111.844 114.554 0.018 0.000 3.393 456 T HA 0.479 4.829 4.350 0.000 0.000 0.255 456 T C 0.862 175.552 174.700 -0.017 0.000 1.008 456 T CA 0.008 62.110 62.100 0.002 0.000 1.053 456 T CB 0.590 69.460 68.868 0.002 0.000 1.120 456 T HN 0.157 nan 8.240 nan 0.000 0.538 457 G N 0.724 109.517 108.800 -0.011 0.000 2.225 457 G HA2 0.081 4.041 3.960 0.000 0.000 0.267 457 G HA3 0.081 4.041 3.960 0.000 0.000 0.267 457 G C 1.123 176.017 174.900 -0.010 0.000 1.024 457 G CA 0.199 45.291 45.100 -0.012 0.000 0.784 457 G HN 1.912 nan 8.290 nan 0.000 0.507 458 G N -3.060 105.738 108.800 -0.004 0.000 2.148 458 G HA2 0.123 4.083 3.960 0.000 0.000 0.254 458 G HA3 0.123 4.083 3.960 0.000 0.000 0.254 458 G C 0.814 175.684 174.900 -0.051 0.000 0.981 458 G CA 1.443 46.545 45.100 0.004 0.000 0.670 458 G HN 2.426 nan 8.290 nan 0.000 0.528 459 V N -3.895 115.929 119.914 -0.149 0.000 3.007 459 V HA 0.879 4.999 4.120 0.000 0.000 0.311 459 V C -2.609 173.094 176.094 -0.652 0.000 1.120 459 V CA -2.425 59.659 62.300 -0.360 0.000 0.980 459 V CB 2.346 34.083 31.823 -0.143 0.000 1.033 459 V HN -0.021 nan 8.190 nan 0.000 0.429 460 P HA 0.224 nan 4.420 nan 0.000 0.226 460 P C 0.068 177.191 177.300 -0.295 0.000 1.783 460 P CA -0.115 62.499 63.100 -0.810 0.000 0.980 460 P CB -0.047 31.208 31.700 -0.742 0.000 1.967 461 V N 3.532 123.328 119.914 -0.197 0.000 2.644 461 V HA -0.043 4.078 4.120 0.000 0.000 0.305 461 V C -1.717 174.343 176.094 -0.056 0.000 1.053 461 V CA -0.742 61.495 62.300 -0.106 0.000 1.186 461 V CB -0.603 31.178 31.823 -0.070 0.000 0.895 461 V HN 0.282 nan 8.190 nan 0.000 0.490 462 P HA 0.126 nan 4.420 nan 0.000 0.261 462 P C -0.284 177.016 177.300 -0.001 0.000 1.183 462 P CA 0.505 63.596 63.100 -0.015 0.000 0.761 462 P CB 0.412 32.101 31.700 -0.019 0.000 0.785 463 N N 1.113 119.823 118.700 0.016 0.000 3.277 463 N HA 0.146 4.886 4.740 0.000 0.000 0.278 463 N C -0.105 175.424 175.510 0.032 0.000 1.544 463 N CA -0.570 52.495 53.050 0.024 0.000 0.869 463 N CB 0.833 39.343 38.487 0.038 0.000 1.584 463 N HN 0.227 nan 8.380 nan 0.000 0.564 464 D N -0.400 120.020 120.400 0.034 0.000 2.348 464 D HA -0.027 4.613 4.640 0.000 0.000 0.211 464 D C 1.120 177.449 176.300 0.049 0.000 0.998 464 D CA 0.644 54.666 54.000 0.036 0.000 0.873 464 D CB 0.177 40.994 40.800 0.028 0.000 0.925 464 D HN 0.172 nan 8.370 nan 0.000 0.524 465 V N -1.051 118.900 119.914 0.061 0.000 3.307 465 V HA 0.263 4.383 4.120 0.000 0.000 0.244 465 V C 0.267 176.428 176.094 0.113 0.000 1.196 465 V CA 0.549 62.898 62.300 0.081 0.000 1.132 465 V CB 0.484 32.353 31.823 0.077 0.000 0.875 465 V HN 0.115 nan 8.190 nan 0.000 0.468 466 S N 0.355 116.121 115.700 0.110 0.000 2.600 466 S HA 0.612 5.082 4.470 0.000 0.000 0.300 466 S C -0.722 173.928 174.600 0.084 0.000 1.087 466 S CA -0.284 57.994 58.200 0.130 0.000 0.965 466 S CB 1.909 65.196 63.200 0.146 0.000 1.089 466 S HN 0.410 nan 8.310 nan 0.000 0.496 467 D N 0.012 120.473 120.400 0.102 0.000 2.865 467 D HA 0.435 5.075 4.640 0.000 0.000 0.347 467 D C 0.628 176.946 176.300 0.031 0.000 1.498 467 D CA 0.834 54.855 54.000 0.034 0.000 0.787 467 D CB 0.028 40.815 40.800 -0.022 0.000 1.190 467 D HN 0.871 nan 8.370 nan 0.000 0.445 468 G N 0.436 109.257 108.800 0.035 0.000 2.499 468 G HA2 0.257 4.218 3.960 0.000 0.000 0.232 468 G HA3 0.257 4.218 3.960 0.000 0.000 0.232 468 G C -0.167 174.811 174.900 0.129 0.000 1.251 468 G CA -0.110 44.985 45.100 -0.007 0.000 0.917 468 G HN 0.837 nan 8.290 nan 0.000 0.580 469 A N -1.772 121.109 122.820 0.102 0.000 2.530 469 A HA 0.766 5.086 4.320 0.000 0.000 0.288 469 A C -1.313 176.582 177.584 0.518 0.000 1.172 469 A CA 0.120 52.280 52.037 0.204 0.000 0.733 469 A CB 1.631 20.573 19.000 -0.097 0.000 1.320 469 A HN 2.109 nan 8.150 nan 0.000 0.419 470 Y N 1.013 121.511 120.300 0.330 0.000 2.335 470 Y HA 0.453 5.003 4.550 0.000 0.000 0.339 470 Y C 0.852 176.920 175.900 0.281 0.000 0.987 470 Y CA -1.346 56.907 58.100 0.256 0.000 1.140 470 Y CB 1.167 39.502 38.460 -0.208 0.000 1.173 470 Y HN 0.599 nan 8.280 nan 0.000 0.486 471 I N 4.300 124.845 120.570 -0.042 0.000 2.335 471 I HA -0.287 3.883 4.170 0.000 0.000 0.251 471 I C 1.490 177.314 176.117 -0.488 0.000 1.129 471 I CA 1.533 62.581 61.300 -0.420 0.000 1.402 471 I CB -0.369 37.482 38.000 -0.248 0.000 1.069 471 I HN 0.712 nan 8.210 nan 0.000 0.424 472 N N -0.189 117.913 118.700 -0.996 0.000 2.520 472 N HA -0.139 4.601 4.740 0.000 0.000 0.185 472 N C -0.356 174.945 175.510 -0.348 0.000 1.068 472 N CA 0.727 53.306 53.050 -0.785 0.000 0.911 472 N CB -0.142 37.690 38.487 -1.093 0.000 0.961 472 N HN 0.371 nan 8.380 nan 0.000 0.446 473 Y N 0.640 120.820 120.300 -0.201 0.000 2.726 473 Y HA 0.387 4.937 4.550 0.000 0.000 0.367 473 Y C -2.070 173.827 175.900 -0.005 0.000 1.038 473 Y CA -3.597 54.483 58.100 -0.034 0.000 1.174 473 Y CB 0.046 38.501 38.460 -0.010 0.000 1.265 473 Y HN -0.048 nan 8.280 nan 0.000 0.622 474 P HA 0.141 nan 4.420 nan 0.000 0.272 474 P C -0.352 176.993 177.300 0.074 0.000 1.223 474 P CA 0.027 63.133 63.100 0.010 0.000 0.784 474 P CB 1.634 33.263 31.700 -0.118 0.000 0.923 475 D N 0.326 120.823 120.400 0.162 0.000 2.319 475 D HA 0.088 4.728 4.640 0.000 0.000 0.237 475 D C 0.871 177.225 176.300 0.091 0.000 1.353 475 D CA -0.360 53.694 54.000 0.091 0.000 0.992 475 D CB 0.531 41.365 40.800 0.057 0.000 1.368 475 D HN 0.154 nan 8.370 nan 0.000 0.564 476 S N 1.849 117.571 115.700 0.037 0.000 2.500 476 S HA -0.140 4.330 4.470 0.000 0.000 0.239 476 S C 1.192 175.799 174.600 0.011 0.000 0.989 476 S CA 0.549 58.751 58.200 0.003 0.000 0.951 476 S CB 0.070 63.275 63.200 0.009 0.000 0.759 476 S HN 0.346 nan 8.310 nan 0.000 0.523 477 D N 2.180 122.588 120.400 0.013 0.000 2.218 477 D HA -0.007 4.633 4.640 0.000 0.000 0.204 477 D C 1.691 178.012 176.300 0.036 0.000 0.976 477 D CA 0.724 54.727 54.000 0.006 0.000 0.853 477 D CB -0.395 40.375 40.800 -0.049 0.000 0.939 477 D HN 0.428 nan 8.370 nan 0.000 0.481 478 L N -0.028 121.234 121.223 0.064 0.000 2.353 478 L HA -0.057 4.283 4.340 0.000 0.000 0.220 478 L C 1.977 178.963 176.870 0.193 0.000 1.133 478 L CA 0.768 55.680 54.840 0.120 0.000 0.798 478 L CB -0.251 41.896 42.059 0.148 0.000 0.922 478 L HN -0.009 nan 8.230 nan 0.000 0.445 479 A N -1.909 120.994 122.820 0.138 0.000 2.348 479 A HA 0.013 4.333 4.320 0.000 0.000 0.224 479 A C 0.513 178.173 177.584 0.126 0.000 1.227 479 A CA -0.168 51.977 52.037 0.180 0.000 0.885 479 A CB -0.008 18.942 19.000 -0.083 0.000 0.933 479 A HN 0.159 nan 8.150 nan 0.000 0.506 480 D N 0.978 121.427 120.400 0.081 0.000 2.339 480 D HA 0.211 4.851 4.640 0.000 0.000 0.241 480 D C -1.673 174.663 176.300 0.059 0.000 1.183 480 D CA -1.991 52.046 54.000 0.061 0.000 0.859 480 D CB 1.487 42.310 40.800 0.040 0.000 1.067 480 D HN 0.085 nan 8.370 nan 0.000 0.484 481 P HA -0.018 nan 4.420 nan 0.000 0.230 481 P C 1.111 178.430 177.300 0.031 0.000 1.158 481 P CA 0.400 63.527 63.100 0.046 0.000 0.769 481 P CB 0.360 32.087 31.700 0.046 0.000 0.807 482 G N -0.168 108.649 108.800 0.029 0.000 2.453 482 G HA2 -0.069 3.891 3.960 0.000 0.000 0.215 482 G HA3 -0.069 3.891 3.960 0.000 0.000 0.215 482 G C 1.316 176.228 174.900 0.020 0.000 1.147 482 G CA 0.174 45.286 45.100 0.020 0.000 0.802 482 G HN 0.120 nan 8.290 nan 0.000 0.535 483 L N 0.195 121.435 121.223 0.027 0.000 2.477 483 L HA 0.248 4.588 4.340 0.000 0.000 0.220 483 L C 0.288 177.184 176.870 0.044 0.000 1.106 483 L CA 0.473 55.333 54.840 0.034 0.000 0.851 483 L CB -0.616 41.463 42.059 0.034 0.000 0.994 483 L HN 0.193 nan 8.230 nan 0.000 0.462 484 N N -0.111 118.612 118.700 0.039 0.000 2.682 484 N HA 0.081 4.821 4.740 0.000 0.000 0.252 484 N C 0.666 176.186 175.510 0.016 0.000 1.081 484 N CA 0.179 53.247 53.050 0.031 0.000 0.844 484 N CB 0.950 39.463 38.487 0.044 0.000 1.167 484 N HN 0.056 nan 8.380 nan 0.000 0.523 485 T N -1.505 113.053 114.554 0.006 0.000 3.069 485 T HA 0.093 4.443 4.350 0.000 0.000 0.252 485 T C 0.558 175.253 174.700 -0.008 0.000 1.053 485 T CA -0.289 61.812 62.100 0.001 0.000 0.964 485 T CB -0.383 68.485 68.868 0.001 0.000 1.005 485 T HN 0.339 nan 8.240 nan 0.000 0.532 486 S N 1.164 116.854 115.700 -0.017 0.000 2.400 486 S HA 0.467 4.937 4.470 0.000 0.000 0.295 486 S C 1.468 176.048 174.600 -0.034 0.000 1.113 486 S CA -0.356 57.827 58.200 -0.028 0.000 1.064 486 S CB 0.575 63.749 63.200 -0.043 0.000 0.990 486 S HN 0.412 nan 8.310 nan 0.000 0.502 487 G N 3.011 111.794 108.800 -0.027 0.000 2.954 487 G HA2 -0.008 3.952 3.960 0.000 0.000 0.200 487 G HA3 -0.008 3.952 3.960 0.000 0.000 0.200 487 G C 0.198 175.062 174.900 -0.059 0.000 1.186 487 G CA 0.023 45.103 45.100 -0.032 0.000 0.876 487 G HN 0.765 nan 8.290 nan 0.000 0.528 488 V N 2.782 122.648 119.914 -0.081 0.000 2.368 488 V HA 0.220 4.340 4.120 0.000 0.000 0.266 488 V C -1.507 174.472 176.094 -0.192 0.000 1.045 488 V CA -1.861 60.359 62.300 -0.133 0.000 0.899 488 V CB 1.377 33.127 31.823 -0.122 0.000 1.006 488 V HN 0.114 nan 8.190 nan 0.000 0.470 489 P HA 0.010 nan 4.420 nan 0.000 0.272 489 P C 1.195 178.158 177.300 -0.561 0.000 1.230 489 P CA -0.371 62.440 63.100 -0.482 0.000 0.788 489 P CB 0.644 31.837 31.700 -0.845 0.000 0.949 490 W N 3.241 124.376 121.300 -0.275 0.000 2.308 490 W HA -0.278 4.382 4.660 0.000 0.000 0.301 490 W C 1.269 177.735 176.519 -0.088 0.000 1.220 490 W CA 1.908 59.178 57.345 -0.125 0.000 1.240 490 W CB -2.325 27.190 29.460 0.092 0.000 1.142 490 W HN 0.532 nan 8.180 nan 0.000 0.521 491 H N -0.754 117.762 119.070 -0.923 0.000 2.502 491 H HA 0.046 4.602 4.556 0.000 0.000 0.283 491 H C 1.222 176.311 175.328 -0.398 0.000 1.015 491 H CA 1.362 56.913 56.048 -0.827 0.000 1.298 491 H CB -0.902 27.972 29.762 -1.479 0.000 1.411 491 H HN 0.000 nan 8.280 nan 0.000 0.556 492 D N 0.730 120.838 120.400 -0.487 0.000 2.194 492 D HA -0.026 4.614 4.640 0.000 0.000 0.204 492 D C 2.048 178.261 176.300 -0.145 0.000 0.964 492 D CA 0.551 54.421 54.000 -0.216 0.000 0.846 492 D CB -0.016 40.646 40.800 -0.231 0.000 0.962 492 D HN 0.370 nan 8.370 nan 0.000 0.490 493 L N -0.311 120.777 121.223 -0.226 0.000 2.017 493 L HA -0.201 4.139 4.340 0.000 0.000 0.208 493 L C 2.233 178.956 176.870 -0.245 0.000 1.073 493 L CA 1.158 55.847 54.840 -0.251 0.000 0.745 493 L CB -0.582 41.261 42.059 -0.359 0.000 0.894 493 L HN 0.064 nan 8.230 nan 0.000 0.432 494 Y N -1.444 118.786 120.300 -0.117 0.000 2.184 494 Y HA -0.179 4.371 4.550 0.000 0.000 0.290 494 Y C 2.100 177.868 175.900 -0.219 0.000 1.129 494 Y CA 1.260 59.205 58.100 -0.258 0.000 1.144 494 Y CB -0.440 37.642 38.460 -0.630 0.000 0.995 494 Y HN 0.059 nan 8.280 nan 0.000 0.513 495 Y N -1.318 119.140 120.300 0.262 0.000 2.444 495 Y HA 0.195 4.745 4.550 0.000 0.000 0.252 495 Y C 1.207 177.209 175.900 0.170 0.000 1.091 495 Y CA -0.956 57.279 58.100 0.224 0.000 1.276 495 Y CB -0.203 38.426 38.460 0.283 0.000 1.170 495 Y HN -0.112 nan 8.280 nan 0.000 0.517 496 K N -0.465 120.068 120.400 0.222 0.000 1.824 496 K HA -0.320 4.000 4.320 0.000 0.000 0.120 496 K C 1.723 178.441 176.600 0.198 0.000 1.268 496 K CA 1.338 57.713 56.287 0.146 0.000 0.420 496 K CB -1.586 30.971 32.500 0.096 0.000 0.586 496 K HN 0.406 nan 8.250 nan 0.000 0.907 497 G N 0.766 109.665 108.800 0.165 0.000 2.559 497 G HA2 -0.194 3.766 3.960 0.000 0.000 0.216 497 G HA3 -0.194 3.766 3.960 0.000 0.000 0.216 497 G C 0.947 175.968 174.900 0.202 0.000 1.126 497 G CA 1.116 46.310 45.100 0.156 0.000 0.778 497 G HN 0.381 nan 8.290 nan 0.000 0.543 498 N N -0.178 118.695 118.700 0.288 0.000 2.422 498 N HA 0.005 4.745 4.740 0.000 0.000 0.181 498 N C 1.588 177.302 175.510 0.340 0.000 1.080 498 N CA 0.425 53.701 53.050 0.376 0.000 0.893 498 N CB -0.262 38.522 38.487 0.496 0.000 0.973 498 N HN 0.485 nan 8.380 nan 0.000 0.456 499 H N 2.213 121.416 119.070 0.222 0.000 2.289 499 H HA -0.069 4.487 4.556 0.000 0.000 0.294 499 H C -0.876 174.495 175.328 0.071 0.000 1.095 499 H CA 2.067 58.202 56.048 0.145 0.000 1.256 499 H CB -0.905 28.979 29.762 0.204 0.000 1.359 499 H HN 0.131 nan 8.280 nan 0.000 0.487 500 P HA -0.156 nan 4.420 nan 0.000 0.215 500 P C 1.492 178.725 177.300 -0.112 0.000 1.157 500 P CA 1.861 64.881 63.100 -0.134 0.000 0.868 500 P CB -0.118 31.561 31.700 -0.035 0.000 0.788 501 R N -0.259 120.207 120.500 -0.058 0.000 2.091 501 R HA -0.106 4.234 4.340 0.000 0.000 0.238 501 R C 2.285 178.613 176.300 0.046 0.000 1.136 501 R CA 1.255 57.292 56.100 -0.104 0.000 0.959 501 R CB -0.946 29.117 30.300 -0.394 0.000 0.856 501 R HN 0.162 nan 8.270 nan 0.000 0.437 502 L N 0.109 121.432 121.223 0.168 0.000 2.012 502 L HA -0.223 4.117 4.340 0.000 0.000 0.210 502 L C 2.684 179.590 176.870 0.060 0.000 1.073 502 L CA 1.607 56.524 54.840 0.128 0.000 0.748 502 L CB -0.392 41.627 42.059 -0.066 0.000 0.891 502 L HN 0.221 nan 8.230 nan 0.000 0.431 503 R N -0.177 120.251 120.500 -0.121 0.000 2.120 503 R HA -0.194 4.146 4.340 0.000 0.000 0.234 503 R C 2.314 178.603 176.300 -0.018 0.000 1.123 503 R CA 1.281 57.312 56.100 -0.115 0.000 0.975 503 R CB -0.224 29.908 30.300 -0.279 0.000 0.866 503 R HN 0.323 nan 8.270 nan 0.000 0.446 504 K N 0.844 121.229 120.400 -0.025 0.000 2.062 504 K HA -0.087 4.233 4.320 0.000 0.000 0.205 504 K C 1.953 178.584 176.600 0.051 0.000 1.051 504 K CA 1.073 57.357 56.287 -0.005 0.000 0.941 504 K CB 0.103 32.583 32.500 -0.035 0.000 0.719 504 K HN -0.041 nan 8.250 nan 0.000 0.440 505 V N 2.041 122.006 119.914 0.084 0.000 2.282 505 V HA -0.296 3.824 4.120 0.000 0.000 0.249 505 V C 2.407 178.664 176.094 0.273 0.000 1.057 505 V CA 2.214 64.606 62.300 0.153 0.000 1.032 505 V CB -0.613 31.166 31.823 -0.074 0.000 0.645 505 V HN 0.395 nan 8.190 nan 0.000 0.447 506 K N 1.328 121.932 120.400 0.341 0.000 2.015 506 K HA -0.218 4.102 4.320 0.000 0.000 0.216 506 K C 2.088 178.833 176.600 0.241 0.000 1.052 506 K CA 2.286 58.813 56.287 0.401 0.000 0.937 506 K CB -1.035 31.623 32.500 0.264 0.000 0.719 506 K HN 0.370 nan 8.250 nan 0.000 0.446 507 A N 0.248 123.147 122.820 0.132 0.000 1.940 507 A HA -0.081 4.240 4.320 0.000 0.000 0.219 507 A C 2.351 179.957 177.584 0.037 0.000 1.176 507 A CA 2.309 54.387 52.037 0.069 0.000 0.631 507 A CB -1.064 17.951 19.000 0.025 0.000 0.814 507 A HN 0.512 nan 8.150 nan 0.000 0.446 508 A N -2.660 120.162 122.820 0.003 0.000 2.067 508 A HA 0.165 4.485 4.320 0.000 0.000 0.217 508 A C 1.800 179.215 177.584 -0.282 0.000 1.156 508 A CA 1.327 53.258 52.037 -0.177 0.000 0.683 508 A CB -0.370 18.456 19.000 -0.291 0.000 0.808 508 A HN 0.596 nan 8.150 nan 0.000 0.455 509 Y N -2.156 118.213 120.300 0.115 0.000 2.467 509 Y HA 0.230 4.780 4.550 0.000 0.000 0.259 509 Y C 0.372 176.377 175.900 0.174 0.000 1.084 509 Y CA -0.108 58.072 58.100 0.133 0.000 1.275 509 Y CB 0.783 39.318 38.460 0.124 0.000 1.208 509 Y HN 0.244 nan 8.280 nan 0.000 0.511 510 D N 0.580 121.176 120.400 0.327 0.000 2.749 510 D HA 0.216 4.856 4.640 0.000 0.000 0.338 510 D C -2.149 174.269 176.300 0.197 0.000 1.236 510 D CA -2.244 51.939 54.000 0.305 0.000 0.845 510 D CB 0.662 41.690 40.800 0.380 0.000 1.080 510 D HN 0.011 nan 8.370 nan 0.000 0.497 511 P HA -0.061 nan 4.420 nan 0.000 0.230 511 P C 0.833 178.177 177.300 0.074 0.000 1.158 511 P CA 0.418 63.567 63.100 0.082 0.000 0.769 511 P CB 0.308 32.036 31.700 0.047 0.000 0.807 512 R N -0.910 119.648 120.500 0.097 0.000 2.317 512 R HA 0.096 4.436 4.340 0.000 0.000 0.208 512 R C 0.479 176.831 176.300 0.088 0.000 0.914 512 R CA -0.074 56.074 56.100 0.081 0.000 1.060 512 R CB -0.774 29.576 30.300 0.083 0.000 1.015 512 R HN 0.007 nan 8.270 nan 0.000 0.498 513 N N 0.871 119.639 118.700 0.113 0.000 2.714 513 N HA -0.272 4.468 4.740 0.000 0.000 0.252 513 N C 0.522 176.118 175.510 0.143 0.000 1.014 513 N CA 0.470 53.584 53.050 0.107 0.000 0.735 513 N CB -1.128 37.360 38.487 0.003 0.000 0.924 513 N HN 0.437 nan 8.380 nan 0.000 0.540 514 H N -0.927 118.152 119.070 0.016 0.000 2.457 514 H HA -0.009 4.547 4.556 0.000 0.000 0.294 514 H C -0.282 174.804 175.328 -0.403 0.000 1.064 514 H CA 1.102 57.014 56.048 -0.227 0.000 1.330 514 H CB 0.152 29.653 29.762 -0.435 0.000 1.395 514 H HN 0.311 nan 8.280 nan 0.000 0.541 515 F N 2.425 122.421 119.950 0.077 0.000 2.375 515 F HA 0.302 4.830 4.527 0.000 0.000 0.361 515 F C 0.271 176.020 175.800 -0.085 0.000 1.117 515 F CA -0.609 57.354 58.000 -0.062 0.000 1.037 515 F CB 0.896 39.888 39.000 -0.014 0.000 1.192 515 F HN 0.151 nan 8.300 nan 0.000 0.452 516 H N 1.844 120.864 119.070 -0.084 0.000 3.014 516 H HA 0.591 5.147 4.556 0.000 0.000 0.337 516 H C -1.643 173.537 175.328 -0.248 0.000 1.320 516 H CA -0.837 55.065 56.048 -0.243 0.000 1.128 516 H CB 2.311 31.961 29.762 -0.185 0.000 1.862 516 H HN 0.736 nan 8.280 nan 0.000 0.536 517 H N -1.119 117.828 119.070 -0.206 0.000 2.883 517 H HA 0.481 5.037 4.556 0.000 0.000 0.277 517 H C 0.027 175.145 175.328 -0.351 0.000 1.451 517 H CA -0.309 55.525 56.048 -0.357 0.000 1.157 517 H CB 1.118 30.444 29.762 -0.727 0.000 1.851 517 H HN 0.597 nan 8.280 nan 0.000 0.566 518 A N 0.372 123.123 122.820 -0.114 0.000 1.940 518 A HA -0.076 4.244 4.320 0.000 0.000 0.219 518 A C 1.273 178.668 177.584 -0.315 0.000 1.176 518 A CA 1.876 53.850 52.037 -0.104 0.000 0.631 518 A CB -0.555 18.474 19.000 0.048 0.000 0.814 518 A HN 0.297 nan 8.150 nan 0.000 0.446 519 L N 0.791 121.771 121.223 -0.406 0.000 3.094 519 L HA 0.218 4.558 4.340 0.000 0.000 0.254 519 L C 0.598 177.146 176.870 -0.536 0.000 1.298 519 L CA 0.162 54.556 54.840 -0.744 0.000 1.050 519 L CB 0.202 41.963 42.059 -0.497 0.000 1.420 519 L HN 0.303 nan 8.230 nan 0.000 0.548 520 S N -1.248 114.073 115.700 -0.632 0.000 2.632 520 S HA 0.593 5.064 4.470 0.000 0.000 0.271 520 S C 0.392 174.990 174.600 -0.004 0.000 1.260 520 S CA -0.834 57.008 58.200 -0.596 0.000 1.010 520 S CB 1.519 64.226 63.200 -0.822 0.000 0.965 520 S HN 0.045 nan 8.310 nan 0.000 0.534 521 I N 1.634 122.184 120.570 -0.034 0.000 2.648 521 I HA 0.086 4.256 4.170 0.000 0.000 0.284 521 I C 1.075 177.228 176.117 0.060 0.000 1.153 521 I CA 0.207 61.561 61.300 0.091 0.000 1.426 521 I CB -0.321 37.669 38.000 -0.016 0.000 1.381 521 I HN 0.654 nan 8.210 nan 0.000 0.571 522 R N 6.359 126.912 120.500 0.088 0.000 2.442 522 R HA 0.258 4.598 4.340 0.000 0.000 0.291 522 R C -2.105 174.198 176.300 0.006 0.000 1.069 522 R CA -1.274 54.852 56.100 0.043 0.000 1.022 522 R CB -0.027 30.290 30.300 0.028 0.000 0.976 522 R HN 0.391 nan 8.270 nan 0.000 0.443 523 P HA 0.000 nan 4.420 nan 0.000 0.216 523 P CA 0.000 63.107 63.100 0.011 0.000 0.800 523 P CB 0.000 31.703 31.700 0.006 0.000 0.726