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 2e22_1_A DATA FIRST_RESID 26 DATA SEQUENCE SDEFDALRIK WATLLTGGPA LDPADSDIAA RTDKLAQDAN DYWEDMDLSS DATA SEQUENCE SRTYIWYALR GNGTSDNVNA VYERLRTMAL AATTVGSSLY GNADLKEDIL DATA SEQUENCE DALDWLYVNS YNSTRSRSAY NWWHWQLGIP MSLNDIAVLL YDDISAARMA DATA SEQUENCE TYMDTIDYFT PSIGLTGANR AWQAIVVGVR AVIVKDAVKL AAARNGLSGT DATA SEQUENCE GIFPYATGGD GFYADGSFVQ HTTFAYTGGY GSSVLETTAN LMYLLSGSTW DATA SEQUENCE SVSDPNQSNV WQWIYEAYRP LLYKGAMMDM VRGREISRSY AQDHAVGHGI DATA SEQUENCE VASIVRLAQF APAPHAAAFK QIAKRVIQED TFSSFYGDVS TDTIRLAKAI DATA SEQUENCE VDDPSIAPAA APNLYKQYAA MDRAVLQRPG FALGLALYST RISSYESINS DATA SEQUENCE ENGRGWYTGA GATYLYNQDL AQYSEDYWPT VDAYRIPGTT VASGTPIASG DATA SEQUENCE TGTSSWTGGV SLAGQYGASG MDLSYGAYNL SARKSWFMFD DEIVALGSGI DATA SEQUENCE SSTAGIPIET VVDNRKLNGA GDNAWTANGA ALSTGLGVAQ TLTGVNWVHL DATA SEQUENCE AGNTADGSDI GYYFPGGATL QTKREARTGT WKQINNRPAT PSTAVTRNYE DATA SEQUENCE TMWIDHGTNP SGASYGYVLL PNKTSAQVGA YAADPAIEIV VNTSGVQSVK DATA SEQUENCE EKTLGLVGAN FWTDTTQTAD LITSNKKASV MTREIADERL EASVSDPTQA DATA SEQUENCE NNGTIAIELA RSAEGYSADP GITVTQLAPT IKFTVNVNGA KGKSFHASFQ DATA SEQUENCE LG 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 S HA 0.000 nan 4.470 nan 0.000 0.327 26 S C 0.000 174.643 174.600 0.072 0.000 1.055 26 S CA 0.000 58.238 58.200 0.063 0.000 1.107 26 S CB 0.000 63.229 63.200 0.049 0.000 0.593 27 D N 1.061 121.521 120.400 0.101 0.000 2.387 27 D HA 0.368 5.008 4.640 0.001 0.000 0.251 27 D C 1.256 177.619 176.300 0.104 0.000 1.141 27 D CA -0.359 53.724 54.000 0.139 0.000 0.987 27 D CB 0.819 41.756 40.800 0.229 0.000 1.116 27 D HN 0.620 nan 8.370 nan 0.000 0.491 28 E N 0.269 120.512 120.200 0.072 0.000 2.072 28 E HA -0.149 4.201 4.350 0.001 0.000 0.190 28 E C 1.563 178.160 176.600 -0.005 0.000 0.982 28 E CA 1.020 57.407 56.400 -0.022 0.000 0.803 28 E CB -0.117 29.508 29.700 -0.125 0.000 0.755 28 E HN 0.494 nan 8.360 nan 0.000 0.453 29 F N 1.811 121.832 119.950 0.118 0.000 2.120 29 F HA -0.199 4.329 4.527 0.001 0.000 0.300 29 F C 2.061 177.846 175.800 -0.025 0.000 1.095 29 F CA 1.539 59.553 58.000 0.024 0.000 1.249 29 F CB -0.480 38.508 39.000 -0.021 0.000 0.995 29 F HN 0.099 nan 8.300 nan 0.000 0.480 30 D N 0.031 120.534 120.400 0.172 0.000 2.149 30 D HA -0.167 4.473 4.640 0.001 0.000 0.198 30 D C 2.304 178.629 176.300 0.042 0.000 0.990 30 D CA 1.427 55.465 54.000 0.064 0.000 0.839 30 D CB -0.569 40.279 40.800 0.080 0.000 0.948 30 D HN 0.261 nan 8.370 nan 0.000 0.460 31 A N 0.406 123.257 122.820 0.050 0.000 1.872 31 A HA -0.074 4.246 4.320 0.001 0.000 0.214 31 A C 2.369 179.975 177.584 0.037 0.000 1.187 31 A CA 0.723 52.782 52.037 0.036 0.000 0.614 31 A CB -0.725 18.287 19.000 0.021 0.000 0.826 31 A HN 0.190 nan 8.150 nan 0.000 0.442 32 L N -0.966 120.279 121.223 0.037 0.000 2.012 32 L HA -0.224 4.116 4.340 0.001 0.000 0.210 32 L C 2.829 179.744 176.870 0.075 0.000 1.073 32 L CA 1.935 56.799 54.840 0.040 0.000 0.748 32 L CB -0.561 41.513 42.059 0.025 0.000 0.891 32 L HN 0.467 nan 8.230 nan 0.000 0.431 33 R N 0.724 121.250 120.500 0.043 0.000 2.091 33 R HA -0.189 4.151 4.340 0.001 0.000 0.238 33 R C 2.257 178.613 176.300 0.093 0.000 1.136 33 R CA 1.651 57.770 56.100 0.031 0.000 0.959 33 R CB -0.261 29.958 30.300 -0.135 0.000 0.856 33 R HN 0.335 nan 8.270 nan 0.000 0.437 34 I N 0.564 121.173 120.570 0.065 0.000 2.394 34 I HA -0.238 3.933 4.170 0.001 0.000 0.251 34 I C 2.541 178.724 176.117 0.110 0.000 1.136 34 I CA 1.069 62.417 61.300 0.081 0.000 1.425 34 I CB -0.247 37.791 38.000 0.063 0.000 1.079 34 I HN 0.225 nan 8.210 nan 0.000 0.425 35 K N 0.787 121.260 120.400 0.120 0.000 2.025 35 K HA -0.232 4.089 4.320 0.001 0.000 0.207 35 K C 2.247 178.979 176.600 0.219 0.000 1.049 35 K CA 1.444 57.813 56.287 0.136 0.000 0.933 35 K CB -0.251 32.287 32.500 0.063 0.000 0.714 35 K HN 0.447 nan 8.250 nan 0.000 0.438 36 W N 1.222 122.552 121.300 0.051 0.000 2.388 36 W HA -0.157 4.503 4.660 -0.000 0.000 0.294 36 W C 1.725 178.293 176.519 0.082 0.000 1.212 36 W CA 1.470 58.861 57.345 0.077 0.000 1.271 36 W CB -0.065 29.421 29.460 0.043 0.000 1.126 36 W HN 0.212 nan 8.180 nan 0.000 0.535 37 A N 0.385 123.303 122.820 0.164 0.000 1.933 37 A HA -0.202 4.118 4.320 0.001 0.000 0.218 37 A C 1.876 179.462 177.584 0.002 0.000 1.175 37 A CA 2.400 54.480 52.037 0.072 0.000 0.628 37 A CB -1.236 17.831 19.000 0.110 0.000 0.814 37 A HN 0.263 nan 8.150 nan 0.000 0.444 38 T N 0.044 114.618 114.554 0.033 0.000 2.867 38 T HA -0.077 4.274 4.350 0.001 0.000 0.268 38 T C 1.795 176.478 174.700 -0.030 0.000 1.057 38 T CA 1.241 63.357 62.100 0.027 0.000 1.136 38 T CB -0.337 68.576 68.868 0.074 0.000 0.874 38 T HN 0.425 nan 8.240 nan 0.000 0.466 39 L N 0.289 121.461 121.223 -0.085 0.000 2.201 39 L HA 0.035 4.375 4.340 0.001 0.000 0.212 39 L C 1.877 178.583 176.870 -0.273 0.000 1.105 39 L CA 1.211 55.935 54.840 -0.194 0.000 0.775 39 L CB -0.171 41.691 42.059 -0.328 0.000 0.913 39 L HN 0.270 nan 8.230 nan 0.000 0.440 40 L N -1.175 119.879 121.223 -0.282 0.000 2.168 40 L HA -0.039 4.301 4.340 0.001 0.000 0.203 40 L C 2.498 179.313 176.870 -0.091 0.000 1.078 40 L CA 1.336 56.051 54.840 -0.209 0.000 0.780 40 L CB -0.570 41.374 42.059 -0.191 0.000 0.939 40 L HN 0.372 nan 8.230 nan 0.000 0.451 41 T N -4.485 110.039 114.554 -0.050 0.000 3.040 41 T HA 0.252 4.602 4.350 0.001 0.000 0.252 41 T C 1.434 176.127 174.700 -0.011 0.000 1.064 41 T CA 0.630 62.726 62.100 -0.006 0.000 1.110 41 T CB 0.789 69.681 68.868 0.040 0.000 0.921 41 T HN 0.387 nan 8.240 nan 0.000 0.480 42 G N 0.818 109.606 108.800 -0.019 0.000 2.163 42 G HA2 0.324 4.284 3.960 0.001 0.000 0.213 42 G HA3 0.324 4.284 3.960 0.001 0.000 0.213 42 G C 0.873 175.774 174.900 0.001 0.000 0.991 42 G CA 0.110 45.200 45.100 -0.016 0.000 0.653 42 G HN 1.685 nan 8.290 nan 0.000 0.518 43 G N -0.122 108.688 108.800 0.016 0.000 2.804 43 G HA2 0.105 4.065 3.960 0.001 0.000 0.230 43 G HA3 0.105 4.065 3.960 0.001 0.000 0.230 43 G C -0.583 174.329 174.900 0.020 0.000 1.386 43 G CA 0.398 45.516 45.100 0.031 0.000 0.875 43 G HN 0.886 nan 8.290 nan 0.000 0.557 44 P HA 0.087 nan 4.420 nan 0.000 0.227 44 P C 1.758 179.046 177.300 -0.020 0.000 1.161 44 P CA 1.964 65.065 63.100 0.003 0.000 0.788 44 P CB -0.060 31.656 31.700 0.026 0.000 0.822 45 A N 0.703 123.518 122.820 -0.007 0.000 2.067 45 A HA -0.028 4.292 4.320 0.001 0.000 0.219 45 A C 1.375 178.943 177.584 -0.028 0.000 1.158 45 A CA 0.099 52.128 52.037 -0.013 0.000 0.661 45 A CB -1.206 17.794 19.000 -0.000 0.000 0.801 45 A HN 0.193 nan 8.150 nan 0.000 0.452 46 L N 1.754 122.958 121.223 -0.032 0.000 2.776 46 L HA -0.089 4.251 4.340 0.001 0.000 0.283 46 L C -0.633 176.203 176.870 -0.058 0.000 1.194 46 L CA 0.952 55.766 54.840 -0.044 0.000 0.947 46 L CB -0.498 41.533 42.059 -0.047 0.000 1.255 46 L HN 0.326 nan 8.230 nan 0.000 0.481 47 D N 8.410 128.778 120.400 -0.054 0.000 2.393 47 D HA 0.220 4.860 4.640 0.001 0.000 0.232 47 D C -1.450 174.812 176.300 -0.063 0.000 1.192 47 D CA -2.037 51.929 54.000 -0.057 0.000 0.882 47 D CB 1.173 41.942 40.800 -0.051 0.000 1.038 47 D HN 0.384 nan 8.370 nan 0.000 0.499 48 P HA -0.062 nan 4.420 nan 0.000 0.234 48 P C 0.841 178.107 177.300 -0.055 0.000 1.167 48 P CA 0.353 63.414 63.100 -0.065 0.000 0.763 48 P CB 0.302 31.958 31.700 -0.074 0.000 0.835 49 A N -0.113 122.675 122.820 -0.053 0.000 2.067 49 A HA -0.070 4.250 4.320 0.001 0.000 0.217 49 A C 1.324 178.876 177.584 -0.053 0.000 1.156 49 A CA 0.325 52.334 52.037 -0.047 0.000 0.683 49 A CB -1.003 17.972 19.000 -0.041 0.000 0.808 49 A HN 0.127 nan 8.150 nan 0.000 0.455 50 D N 0.317 120.678 120.400 -0.065 0.000 2.487 50 D HA -0.007 4.633 4.640 0.001 0.000 0.243 50 D C 1.258 177.509 176.300 -0.082 0.000 1.154 50 D CA 0.742 54.692 54.000 -0.083 0.000 0.876 50 D CB 1.019 41.756 40.800 -0.106 0.000 1.161 50 D HN 0.190 nan 8.370 nan 0.000 0.478 51 S N 3.308 118.960 115.700 -0.081 0.000 2.365 51 S HA -0.201 4.270 4.470 0.001 0.000 0.225 51 S C 1.231 175.788 174.600 -0.071 0.000 1.039 51 S CA 1.505 59.666 58.200 -0.065 0.000 1.033 51 S CB 0.040 63.207 63.200 -0.055 0.000 0.887 51 S HN 0.578 nan 8.310 nan 0.000 0.447 52 D N 0.434 120.768 120.400 -0.111 0.000 2.162 52 D HA 0.035 4.675 4.640 0.001 0.000 0.203 52 D C 1.980 178.231 176.300 -0.083 0.000 0.967 52 D CA 0.975 54.915 54.000 -0.100 0.000 0.840 52 D CB -0.158 40.524 40.800 -0.198 0.000 0.972 52 D HN 0.455 nan 8.370 nan 0.000 0.482 53 I N 1.642 122.150 120.570 -0.103 0.000 2.315 53 I HA -0.215 3.955 4.170 0.001 0.000 0.248 53 I C 2.655 178.739 176.117 -0.055 0.000 1.117 53 I CA 0.578 61.833 61.300 -0.075 0.000 1.404 53 I CB -0.177 37.775 38.000 -0.080 0.000 1.071 53 I HN -0.100 nan 8.210 nan 0.000 0.419 54 A N 1.010 123.797 122.820 -0.055 0.000 1.865 54 A HA -0.218 4.103 4.320 0.001 0.000 0.217 54 A C 2.584 180.147 177.584 -0.034 0.000 1.191 54 A CA 2.051 54.063 52.037 -0.043 0.000 0.623 54 A CB -0.940 18.035 19.000 -0.041 0.000 0.826 54 A HN 0.421 nan 8.150 nan 0.000 0.444 55 A N -0.530 122.270 122.820 -0.033 0.000 1.883 55 A HA -0.209 4.112 4.320 0.001 0.000 0.217 55 A C 2.198 179.766 177.584 -0.026 0.000 1.186 55 A CA 2.303 54.324 52.037 -0.026 0.000 0.624 55 A CB -0.493 18.495 19.000 -0.020 0.000 0.822 55 A HN 0.437 nan 8.150 nan 0.000 0.444 56 R N -0.032 120.452 120.500 -0.027 0.000 2.105 56 R HA -0.117 4.224 4.340 0.001 0.000 0.239 56 R C 2.380 178.665 176.300 -0.025 0.000 1.135 56 R CA 2.478 58.562 56.100 -0.027 0.000 0.967 56 R CB -1.019 29.263 30.300 -0.029 0.000 0.861 56 R HN 0.717 nan 8.270 nan 0.000 0.442 57 T N -2.360 112.179 114.554 -0.025 0.000 2.851 57 T HA -0.029 4.321 4.350 0.001 0.000 0.262 57 T C 1.496 176.187 174.700 -0.014 0.000 1.043 57 T CA 1.063 63.153 62.100 -0.017 0.000 1.140 57 T CB -0.312 68.544 68.868 -0.019 0.000 0.872 57 T HN 0.087 nan 8.240 nan 0.000 0.446 58 D N 1.565 121.955 120.400 -0.018 0.000 2.123 58 D HA -0.120 4.521 4.640 0.001 0.000 0.196 58 D C 2.068 178.354 176.300 -0.023 0.000 0.992 58 D CA 1.246 55.237 54.000 -0.016 0.000 0.833 58 D CB -0.195 40.594 40.800 -0.018 0.000 0.954 58 D HN 0.543 nan 8.370 nan 0.000 0.455 59 K N 0.427 120.810 120.400 -0.029 0.000 2.097 59 K HA -0.141 4.180 4.320 0.001 0.000 0.205 59 K C 2.202 178.774 176.600 -0.046 0.000 1.050 59 K CA 0.491 56.754 56.287 -0.040 0.000 0.938 59 K CB -0.095 32.383 32.500 -0.037 0.000 0.718 59 K HN -0.005 nan 8.250 nan 0.000 0.442 60 L N 1.176 122.381 121.223 -0.030 0.000 2.027 60 L HA -0.037 4.304 4.340 0.001 0.000 0.206 60 L C 2.280 179.137 176.870 -0.021 0.000 1.074 60 L CA 2.024 56.851 54.840 -0.022 0.000 0.745 60 L CB -0.731 41.324 42.059 -0.007 0.000 0.898 60 L HN 0.231 nan 8.230 nan 0.000 0.433 61 A N -1.092 121.722 122.820 -0.010 0.000 1.877 61 A HA -0.291 4.029 4.320 0.001 0.000 0.216 61 A C 2.315 179.892 177.584 -0.012 0.000 1.186 61 A CA 1.870 53.910 52.037 0.004 0.000 0.620 61 A CB -0.805 18.207 19.000 0.019 0.000 0.822 61 A HN 0.643 nan 8.150 nan 0.000 0.443 62 Q N -0.434 119.345 119.800 -0.035 0.000 2.045 62 Q HA -0.291 4.049 4.340 0.001 0.000 0.206 62 Q C 1.569 177.488 176.000 -0.135 0.000 0.991 62 Q CA 2.286 58.053 55.803 -0.060 0.000 0.851 62 Q CB -0.273 28.428 28.738 -0.063 0.000 0.911 62 Q HN 0.645 nan 8.270 nan 0.000 0.418 63 D N -0.032 120.252 120.400 -0.193 0.000 2.104 63 D HA -0.146 4.495 4.640 0.001 0.000 0.194 63 D C 1.723 177.712 176.300 -0.519 0.000 0.994 63 D CA 1.577 55.321 54.000 -0.426 0.000 0.830 63 D CB -0.243 40.366 40.800 -0.319 0.000 0.959 63 D HN 0.433 nan 8.370 nan 0.000 0.452 64 A N 0.594 123.325 122.820 -0.148 0.000 1.978 64 A HA -0.219 4.102 4.320 0.001 0.000 0.220 64 A C 1.973 179.633 177.584 0.125 0.000 1.170 64 A CA 1.374 53.442 52.037 0.052 0.000 0.636 64 A CB -0.414 18.615 19.000 0.049 0.000 0.810 64 A HN 0.160 nan 8.150 nan 0.000 0.448 65 N N 0.316 119.061 118.700 0.074 0.000 2.062 65 N HA -0.135 4.606 4.740 0.001 0.000 0.191 65 N C 1.227 176.821 175.510 0.140 0.000 1.042 65 N CA 1.718 54.876 53.050 0.179 0.000 0.845 65 N CB -0.603 37.947 38.487 0.106 0.000 1.024 65 N HN 0.435 nan 8.380 nan 0.000 0.424 66 D N 0.232 120.611 120.400 -0.034 0.000 2.149 66 D HA -0.179 4.461 4.640 0.001 0.000 0.194 66 D C 1.813 178.176 176.300 0.106 0.000 1.001 66 D CA 1.225 55.196 54.000 -0.049 0.000 0.849 66 D CB -0.335 40.334 40.800 -0.219 0.000 0.939 66 D HN 0.338 nan 8.370 nan 0.000 0.449 67 Y N -0.910 119.462 120.300 0.121 0.000 2.133 67 Y HA -0.122 4.428 4.550 0.001 0.000 0.287 67 Y C 2.233 178.481 175.900 0.580 0.000 1.134 67 Y CA 0.230 58.448 58.100 0.196 0.000 1.133 67 Y CB -1.188 37.301 38.460 0.049 0.000 0.987 67 Y HN 0.136 nan 8.280 nan 0.000 0.502 68 W N 1.641 123.186 121.300 0.408 0.000 2.338 68 W HA -0.185 4.476 4.660 0.001 0.000 0.304 68 W C 2.435 179.066 176.519 0.187 0.000 1.212 68 W CA 1.961 59.467 57.345 0.268 0.000 1.264 68 W CB -0.714 28.843 29.460 0.161 0.000 1.142 68 W HN 0.327 nan 8.180 nan 0.000 0.512 69 E N -0.019 120.340 120.200 0.265 0.000 2.033 69 E HA -0.262 4.088 4.350 0.001 0.000 0.199 69 E C 1.020 177.665 176.600 0.074 0.000 1.011 69 E CA 1.953 58.385 56.400 0.053 0.000 0.815 69 E CB -0.508 29.229 29.700 0.062 0.000 0.755 69 E HN 0.214 nan 8.360 nan 0.000 0.451 70 D N -0.019 120.499 120.400 0.196 0.000 2.889 70 D HA 0.042 4.682 4.640 0.001 0.000 0.243 70 D C 0.021 176.487 176.300 0.276 0.000 1.270 70 D CA -0.071 54.047 54.000 0.197 0.000 0.838 70 D CB -0.293 40.629 40.800 0.204 0.000 1.040 70 D HN 0.133 nan 8.370 nan 0.000 0.480 71 M N 0.585 120.288 119.600 0.172 0.000 2.264 71 M HA 0.182 4.662 4.480 0.001 0.000 0.352 71 M C -0.711 175.500 176.300 -0.148 0.000 1.173 71 M CA -0.691 54.548 55.300 -0.100 0.000 1.075 71 M CB 1.340 33.916 32.600 -0.039 0.000 1.621 71 M HN -0.215 nan 8.290 nan 0.000 0.457 72 D N 4.434 124.691 120.400 -0.239 0.000 2.352 72 D HA 0.127 4.768 4.640 0.001 0.000 0.245 72 D C 0.446 176.592 176.300 -0.256 0.000 1.224 72 D CA -0.182 53.703 54.000 -0.192 0.000 0.879 72 D CB 0.763 41.453 40.800 -0.183 0.000 1.057 72 D HN 0.516 nan 8.370 nan 0.000 0.491 73 L N 2.373 123.491 121.223 -0.176 0.000 2.416 73 L HA 0.046 4.386 4.340 0.001 0.000 0.216 73 L C 1.174 177.967 176.870 -0.128 0.000 1.098 73 L CA 0.376 55.128 54.840 -0.146 0.000 0.840 73 L CB -1.536 40.468 42.059 -0.093 0.000 0.981 73 L HN 0.355 nan 8.230 nan 0.000 0.462 74 S N -0.086 115.537 115.700 -0.129 0.000 2.558 74 S HA -0.011 4.460 4.470 0.001 0.000 0.288 74 S C 1.509 176.054 174.600 -0.092 0.000 1.318 74 S CA 0.225 58.367 58.200 -0.096 0.000 1.056 74 S CB 0.735 63.879 63.200 -0.094 0.000 0.853 74 S HN 0.386 nan 8.310 nan 0.000 0.505 75 S N 1.629 117.307 115.700 -0.037 0.000 2.469 75 S HA -0.130 4.341 4.470 0.001 0.000 0.238 75 S C 1.741 176.363 174.600 0.036 0.000 0.998 75 S CA 0.914 59.123 58.200 0.015 0.000 0.957 75 S CB -0.705 62.513 63.200 0.031 0.000 0.764 75 S HN 0.847 nan 8.310 nan 0.000 0.514 76 S N 2.298 117.990 115.700 -0.012 0.000 2.436 76 S HA -0.011 4.460 4.470 0.001 0.000 0.228 76 S C 1.013 175.595 174.600 -0.031 0.000 1.014 76 S CA -0.330 57.866 58.200 -0.008 0.000 0.950 76 S CB -0.756 62.423 63.200 -0.034 0.000 0.784 76 S HN 0.791 nan 8.310 nan 0.000 0.504 77 R N 1.323 121.740 120.500 -0.138 0.000 2.474 77 R HA -0.056 4.285 4.340 0.001 0.000 0.275 77 R C 0.440 176.643 176.300 -0.160 0.000 0.945 77 R CA 1.307 57.211 56.100 -0.327 0.000 1.115 77 R CB -0.528 29.466 30.300 -0.509 0.000 0.874 77 R HN 0.300 nan 8.270 nan 0.000 0.421 78 T N -0.745 113.614 114.554 -0.325 0.000 3.129 78 T HA 0.213 4.563 4.350 0.001 0.000 0.267 78 T C -0.528 174.280 174.700 0.180 0.000 1.018 78 T CA -0.275 61.892 62.100 0.111 0.000 0.903 78 T CB -0.274 68.630 68.868 0.061 0.000 1.067 78 T HN 0.749 nan 8.240 nan 0.000 0.549 79 Y N -2.156 118.021 120.300 -0.206 0.000 2.662 79 Y HA 0.608 5.158 4.550 0.001 0.000 0.334 79 Y C -0.243 175.248 175.900 -0.681 0.000 1.185 79 Y CA -2.169 55.714 58.100 -0.361 0.000 1.074 79 Y CB -0.076 38.364 38.460 -0.034 0.000 1.330 79 Y HN -0.197 nan 8.280 nan 0.000 0.458 80 I N -0.453 119.897 120.570 -0.368 0.000 2.385 80 I HA 0.021 4.191 4.170 0.001 0.000 0.244 80 I C 0.153 175.966 176.117 -0.507 0.000 1.089 80 I CA 0.824 61.735 61.300 -0.648 0.000 1.410 80 I CB -0.247 37.237 38.000 -0.861 0.000 1.117 80 I HN 0.529 nan 8.210 nan 0.000 0.429 81 W N 0.188 121.507 121.300 0.031 0.000 2.600 81 W HA 0.169 4.829 4.660 0.000 0.000 0.325 81 W C 1.075 177.470 176.519 -0.207 0.000 1.034 81 W CA -1.181 56.158 57.345 -0.009 0.000 1.226 81 W CB 0.856 30.283 29.460 -0.055 0.000 1.379 81 W HN 0.041 nan 8.180 nan 0.000 0.466 82 Y N 3.527 123.657 120.300 -0.284 0.000 2.069 82 Y HA -0.343 4.207 4.550 0.001 0.000 0.278 82 Y C 2.142 177.814 175.900 -0.381 0.000 1.175 82 Y CA 3.273 60.916 58.100 -0.762 0.000 1.134 82 Y CB -0.616 37.629 38.460 -0.357 0.000 0.965 82 Y HN 0.428 nan 8.280 nan 0.000 0.498 83 A N -0.401 122.291 122.820 -0.214 0.000 2.186 83 A HA -0.075 4.246 4.320 0.001 0.000 0.219 83 A C 1.828 179.287 177.584 -0.208 0.000 1.159 83 A CA 1.683 53.565 52.037 -0.258 0.000 0.680 83 A CB -0.882 18.072 19.000 -0.077 0.000 0.787 83 A HN 0.575 nan 8.150 nan 0.000 0.467 84 L N -0.447 120.695 121.223 -0.136 0.000 3.069 84 L HA 0.145 4.486 4.340 0.001 0.000 0.271 84 L C 0.693 177.542 176.870 -0.035 0.000 1.201 84 L CA -0.579 54.224 54.840 -0.063 0.000 1.015 84 L CB 0.078 42.156 42.059 0.033 0.000 1.371 84 L HN 0.427 nan 8.230 nan 0.000 0.574 85 R N 0.766 121.191 120.500 -0.125 0.000 2.698 85 R HA 0.369 4.709 4.340 0.001 0.000 0.266 85 R C 0.176 176.511 176.300 0.058 0.000 1.026 85 R CA 0.670 56.772 56.100 0.002 0.000 1.102 85 R CB -0.002 30.256 30.300 -0.071 0.000 0.978 85 R HN 0.092 nan 8.270 nan 0.000 0.436 86 G N 2.075 110.966 108.800 0.153 0.000 2.328 86 G HA2 -0.145 3.815 3.960 0.001 0.000 0.244 86 G HA3 -0.145 3.815 3.960 0.001 0.000 0.244 86 G C -0.424 174.588 174.900 0.187 0.000 1.317 86 G CA -0.689 44.497 45.100 0.143 0.000 1.261 86 G HN 0.672 nan 8.290 nan 0.000 0.648 87 N N 0.307 119.140 118.700 0.221 0.000 2.680 87 N HA -0.004 4.737 4.740 0.001 0.000 0.197 87 N C 1.709 177.369 175.510 0.249 0.000 1.288 87 N CA 1.180 54.375 53.050 0.242 0.000 0.924 87 N CB 0.413 39.011 38.487 0.185 0.000 1.025 87 N HN 0.813 nan 8.380 nan 0.000 0.447 88 G N -0.771 108.173 108.800 0.240 0.000 3.342 88 G HA2 0.017 3.978 3.960 0.001 0.000 0.252 88 G HA3 0.017 3.978 3.960 0.001 0.000 0.252 88 G C -0.038 175.062 174.900 0.333 0.000 1.011 88 G CA -0.131 45.133 45.100 0.273 0.000 0.869 88 G HN 0.091 nan 8.290 nan 0.000 0.514 89 T N 1.540 116.245 114.554 0.251 0.000 2.781 89 T HA 0.354 4.705 4.350 0.001 0.000 0.305 89 T C 1.429 176.147 174.700 0.030 0.000 1.001 89 T CA -0.197 62.001 62.100 0.163 0.000 0.950 89 T CB 1.690 70.612 68.868 0.090 0.000 0.955 89 T HN 0.019 nan 8.240 nan 0.000 0.471 90 S N 3.615 119.288 115.700 -0.044 0.000 2.380 90 S HA -0.237 4.233 4.470 0.001 0.000 0.229 90 S C 1.732 175.934 174.600 -0.664 0.000 1.050 90 S CA 1.904 59.782 58.200 -0.536 0.000 1.100 90 S CB -0.348 62.658 63.200 -0.323 0.000 0.984 90 S HN 0.754 nan 8.310 nan 0.000 0.434 91 D N 1.127 121.282 120.400 -0.408 0.000 2.127 91 D HA -0.124 4.516 4.640 0.001 0.000 0.190 91 D C 1.831 177.920 176.300 -0.352 0.000 1.000 91 D CA 1.491 55.241 54.000 -0.417 0.000 0.839 91 D CB -0.569 40.150 40.800 -0.136 0.000 0.955 91 D HN 0.497 nan 8.370 nan 0.000 0.446 92 N N -0.279 118.305 118.700 -0.195 0.000 2.043 92 N HA -0.135 4.605 4.740 0.001 0.000 0.193 92 N C 1.893 177.338 175.510 -0.109 0.000 1.037 92 N CA 1.058 54.037 53.050 -0.119 0.000 0.851 92 N CB -0.006 38.462 38.487 -0.031 0.000 1.027 92 N HN -0.009 nan 8.380 nan 0.000 0.422 93 V N 2.023 121.872 119.914 -0.110 0.000 2.255 93 V HA -0.271 3.849 4.120 0.001 0.000 0.247 93 V C 2.230 178.267 176.094 -0.095 0.000 1.051 93 V CA 1.567 63.851 62.300 -0.026 0.000 1.018 93 V CB -0.819 30.992 31.823 -0.020 0.000 0.641 93 V HN 0.466 nan 8.190 nan 0.000 0.445 94 N N 0.734 119.188 118.700 -0.411 0.000 2.104 94 N HA -0.217 4.523 4.740 0.001 0.000 0.190 94 N C 1.828 177.188 175.510 -0.250 0.000 1.024 94 N CA 1.905 54.685 53.050 -0.450 0.000 0.853 94 N CB -0.074 37.910 38.487 -0.839 0.000 1.008 94 N HN 0.478 nan 8.380 nan 0.000 0.424 95 A N 0.624 123.285 122.820 -0.264 0.000 1.972 95 A HA -0.034 4.287 4.320 0.001 0.000 0.219 95 A C 2.506 179.972 177.584 -0.198 0.000 1.169 95 A CA 1.108 53.005 52.037 -0.234 0.000 0.635 95 A CB -0.583 18.273 19.000 -0.239 0.000 0.810 95 A HN 0.206 nan 8.150 nan 0.000 0.446 96 V N -1.616 118.252 119.914 -0.076 0.000 2.427 96 V HA -0.250 3.870 4.120 0.001 0.000 0.248 96 V C 2.293 178.367 176.094 -0.034 0.000 1.051 96 V CA 1.768 64.090 62.300 0.036 0.000 1.048 96 V CB -0.976 30.927 31.823 0.132 0.000 0.666 96 V HN 0.666 nan 8.190 nan 0.000 0.456 97 Y N 0.709 120.947 120.300 -0.103 0.000 2.263 97 Y HA -0.140 4.410 4.550 0.001 0.000 0.292 97 Y C 2.567 178.386 175.900 -0.135 0.000 1.130 97 Y CA 1.523 59.553 58.100 -0.116 0.000 1.179 97 Y CB -0.235 38.108 38.460 -0.196 0.000 0.998 97 Y HN 0.316 nan 8.280 nan 0.000 0.532 98 E N -0.120 120.052 120.200 -0.045 0.000 2.085 98 E HA -0.240 4.110 4.350 0.001 0.000 0.194 98 E C 2.267 178.759 176.600 -0.180 0.000 0.994 98 E CA 1.152 57.484 56.400 -0.112 0.000 0.801 98 E CB -0.191 29.409 29.700 -0.166 0.000 0.743 98 E HN 0.454 nan 8.360 nan 0.000 0.453 99 R N 0.502 120.796 120.500 -0.344 0.000 2.073 99 R HA -0.117 4.223 4.340 0.001 0.000 0.234 99 R C 2.575 178.745 176.300 -0.218 0.000 1.134 99 R CA 1.049 56.794 56.100 -0.593 0.000 0.952 99 R CB -0.410 29.132 30.300 -1.264 0.000 0.850 99 R HN 0.191 nan 8.270 nan 0.000 0.433 100 L N 0.178 121.371 121.223 -0.049 0.000 2.042 100 L HA -0.220 4.121 4.340 0.001 0.000 0.210 100 L C 2.827 179.693 176.870 -0.007 0.000 1.076 100 L CA 1.435 56.288 54.840 0.021 0.000 0.749 100 L CB -0.513 41.518 42.059 -0.047 0.000 0.893 100 L HN 0.241 nan 8.230 nan 0.000 0.432 101 R N -0.138 120.354 120.500 -0.013 0.000 2.083 101 R HA -0.177 4.163 4.340 0.001 0.000 0.237 101 R C 2.217 178.522 176.300 0.008 0.000 1.137 101 R CA 2.160 58.266 56.100 0.009 0.000 0.951 101 R CB -0.358 29.950 30.300 0.014 0.000 0.851 101 R HN 0.218 nan 8.270 nan 0.000 0.434 102 T N 1.043 115.598 114.554 0.001 0.000 2.759 102 T HA -0.149 4.202 4.350 0.001 0.000 0.269 102 T C 1.782 176.516 174.700 0.056 0.000 1.042 102 T CA 1.847 63.973 62.100 0.044 0.000 1.140 102 T CB -0.093 68.843 68.868 0.114 0.000 0.864 102 T HN 0.286 nan 8.240 nan 0.000 0.455 103 M N 0.728 120.361 119.600 0.055 0.000 2.132 103 M HA 0.018 4.499 4.480 0.001 0.000 0.263 103 M C 2.806 179.078 176.300 -0.046 0.000 1.065 103 M CA 1.387 56.695 55.300 0.013 0.000 1.122 103 M CB -0.396 32.209 32.600 0.007 0.000 1.365 103 M HN 0.272 nan 8.290 nan 0.000 0.411 104 A N 0.530 123.333 122.820 -0.029 0.000 1.933 104 A HA -0.119 4.201 4.320 0.001 0.000 0.218 104 A C 2.126 179.703 177.584 -0.011 0.000 1.175 104 A CA 1.396 53.415 52.037 -0.029 0.000 0.628 104 A CB -0.902 18.098 19.000 0.001 0.000 0.814 104 A HN 0.440 nan 8.150 nan 0.000 0.444 105 L N -0.884 120.343 121.223 0.007 0.000 2.056 105 L HA -0.167 4.174 4.340 0.001 0.000 0.207 105 L C 3.008 179.893 176.870 0.026 0.000 1.078 105 L CA 1.047 55.899 54.840 0.019 0.000 0.749 105 L CB -0.445 41.624 42.059 0.017 0.000 0.901 105 L HN 0.422 nan 8.230 nan 0.000 0.433 106 A N -0.378 122.450 122.820 0.014 0.000 2.121 106 A HA -0.028 4.292 4.320 0.001 0.000 0.218 106 A C 2.233 179.828 177.584 0.018 0.000 1.154 106 A CA 1.461 53.510 52.037 0.021 0.000 0.679 106 A CB -0.463 18.541 19.000 0.007 0.000 0.795 106 A HN 0.410 nan 8.150 nan 0.000 0.458 107 A N -0.957 121.844 122.820 -0.032 0.000 2.267 107 A HA 0.257 4.578 4.320 0.001 0.000 0.213 107 A C 1.678 179.183 177.584 -0.131 0.000 1.192 107 A CA 1.451 53.429 52.037 -0.098 0.000 0.851 107 A CB -0.274 18.632 19.000 -0.156 0.000 0.881 107 A HN 0.672 nan 8.150 nan 0.000 0.494 108 T N -4.471 110.086 114.554 0.005 0.000 3.111 108 T HA 0.213 4.563 4.350 0.001 0.000 0.284 108 T C 0.176 175.055 174.700 0.299 0.000 0.983 108 T CA 0.133 62.272 62.100 0.064 0.000 0.900 108 T CB 0.039 68.930 68.868 0.038 0.000 1.132 108 T HN 0.021 nan 8.240 nan 0.000 0.531 109 T N 2.900 117.632 114.554 0.297 0.000 2.749 109 T HA 0.531 4.881 4.350 0.001 0.000 0.287 109 T C 0.190 174.957 174.700 0.112 0.000 0.970 109 T CA -0.400 61.809 62.100 0.181 0.000 0.980 109 T CB 1.532 70.447 68.868 0.078 0.000 0.924 109 T HN 0.134 nan 8.240 nan 0.000 0.456 110 V N 3.678 123.517 119.914 -0.125 0.000 2.617 110 V HA 0.357 4.478 4.120 0.001 0.000 0.304 110 V C 1.584 177.546 176.094 -0.220 0.000 1.040 110 V CA 1.653 63.696 62.300 -0.430 0.000 1.149 110 V CB 0.240 31.858 31.823 -0.341 0.000 0.914 110 V HN 1.268 nan 8.190 nan 0.000 0.487 111 G N 3.767 112.432 108.800 -0.226 0.000 2.259 111 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 111 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 111 G C 0.536 175.414 174.900 -0.036 0.000 1.001 111 G CA 0.164 45.201 45.100 -0.105 0.000 0.627 111 G HN 1.008 nan 8.290 nan 0.000 0.501 112 S N 1.100 116.805 115.700 0.009 0.000 2.531 112 S HA 0.490 4.960 4.470 0.001 0.000 0.279 112 S C 1.916 176.571 174.600 0.093 0.000 1.305 112 S CA 0.912 59.149 58.200 0.062 0.000 1.058 112 S CB 1.028 64.288 63.200 0.100 0.000 0.899 112 S HN 1.405 nan 8.310 nan 0.000 0.493 113 S N 4.863 120.604 115.700 0.068 0.000 2.469 113 S HA -0.021 4.450 4.470 0.001 0.000 0.238 113 S C 1.190 175.850 174.600 0.100 0.000 0.998 113 S CA 0.696 58.942 58.200 0.077 0.000 0.957 113 S CB -0.467 62.769 63.200 0.060 0.000 0.764 113 S HN 0.749 nan 8.310 nan 0.000 0.514 114 L N 0.127 121.406 121.223 0.093 0.000 2.700 114 L HA 0.376 4.716 4.340 0.001 0.000 0.234 114 L C 0.304 177.204 176.870 0.050 0.000 1.156 114 L CA -0.531 54.345 54.840 0.060 0.000 0.946 114 L CB -0.367 41.696 42.059 0.006 0.000 1.216 114 L HN 0.268 nan 8.230 nan 0.000 0.493 115 Y N 1.322 121.617 120.300 -0.007 0.000 2.650 115 Y HA 0.273 4.823 4.550 0.000 0.000 0.331 115 Y C 1.438 177.336 175.900 -0.003 0.000 1.165 115 Y CA 0.879 58.974 58.100 -0.008 0.000 1.473 115 Y CB 0.566 39.025 38.460 -0.001 0.000 1.224 115 Y HN 0.276 nan 8.280 nan 0.000 0.533 116 G N 4.180 112.616 108.800 -0.607 0.000 2.304 116 G HA2 -0.392 3.568 3.960 0.001 0.000 0.252 116 G HA3 -0.392 3.568 3.960 0.001 0.000 0.252 116 G C 0.502 175.296 174.900 -0.176 0.000 1.014 116 G CA 0.196 45.042 45.100 -0.424 0.000 0.619 116 G HN 0.849 nan 8.290 nan 0.000 0.525 117 N N 1.644 120.280 118.700 -0.106 0.000 2.276 117 N HA 0.200 4.940 4.740 0.001 0.000 0.279 117 N C 1.675 177.145 175.510 -0.067 0.000 1.379 117 N CA 1.103 54.127 53.050 -0.043 0.000 0.886 117 N CB 0.443 38.914 38.487 -0.026 0.000 1.199 117 N HN 0.756 nan 8.380 nan 0.000 0.493 118 A N 4.486 127.293 122.820 -0.022 0.000 1.933 118 A HA -0.165 4.155 4.320 0.001 0.000 0.218 118 A C 1.698 179.290 177.584 0.013 0.000 1.175 118 A CA 1.344 53.371 52.037 -0.016 0.000 0.628 118 A CB -0.085 18.917 19.000 0.003 0.000 0.814 118 A HN 0.737 nan 8.150 nan 0.000 0.444 119 D N -0.183 120.267 120.400 0.084 0.000 2.084 119 D HA -0.161 4.479 4.640 0.001 0.000 0.194 119 D C 1.885 178.270 176.300 0.142 0.000 0.990 119 D CA 1.513 55.624 54.000 0.185 0.000 0.826 119 D CB -0.530 40.483 40.800 0.355 0.000 0.971 119 D HN 0.355 nan 8.370 nan 0.000 0.453 120 L N 1.673 122.829 121.223 -0.111 0.000 2.043 120 L HA -0.203 4.138 4.340 0.001 0.000 0.212 120 L C 1.981 178.650 176.870 -0.335 0.000 1.075 120 L CA 1.809 56.239 54.840 -0.684 0.000 0.752 120 L CB -0.487 40.958 42.059 -1.025 0.000 0.891 120 L HN -0.112 nan 8.230 nan 0.000 0.432 121 K N -0.798 119.489 120.400 -0.189 0.000 2.057 121 K HA -0.231 4.089 4.320 0.001 0.000 0.207 121 K C 2.096 178.667 176.600 -0.049 0.000 1.049 121 K CA 1.588 57.809 56.287 -0.111 0.000 0.931 121 K CB -0.160 32.293 32.500 -0.079 0.000 0.714 121 K HN 0.270 nan 8.250 nan 0.000 0.440 122 E N 1.374 121.568 120.200 -0.011 0.000 2.072 122 E HA -0.167 4.184 4.350 0.001 0.000 0.191 122 E C 1.444 178.066 176.600 0.038 0.000 0.985 122 E CA 1.433 57.849 56.400 0.025 0.000 0.801 122 E CB -0.122 29.605 29.700 0.044 0.000 0.750 122 E HN 0.141 nan 8.360 nan 0.000 0.452 123 D N -0.066 120.368 120.400 0.057 0.000 2.123 123 D HA -0.151 4.489 4.640 0.001 0.000 0.196 123 D C 2.021 178.324 176.300 0.004 0.000 0.992 123 D CA 1.124 55.172 54.000 0.081 0.000 0.833 123 D CB -0.203 40.747 40.800 0.250 0.000 0.954 123 D HN 0.305 nan 8.370 nan 0.000 0.455 124 I N 0.460 121.002 120.570 -0.046 0.000 2.163 124 I HA -0.262 3.908 4.170 0.001 0.000 0.243 124 I C 2.443 178.552 176.117 -0.014 0.000 1.085 124 I CA 0.770 62.037 61.300 -0.054 0.000 1.347 124 I CB -0.277 37.679 38.000 -0.073 0.000 1.044 124 I HN -0.009 nan 8.210 nan 0.000 0.408 125 L N 0.221 121.461 121.223 0.027 0.000 2.042 125 L HA -0.248 4.092 4.340 0.001 0.000 0.210 125 L C 2.267 179.210 176.870 0.123 0.000 1.076 125 L CA 1.336 56.236 54.840 0.100 0.000 0.749 125 L CB -0.746 41.375 42.059 0.103 0.000 0.893 125 L HN 0.281 nan 8.230 nan 0.000 0.432 126 D N 0.174 120.624 120.400 0.084 0.000 2.117 126 D HA -0.168 4.473 4.640 0.001 0.000 0.197 126 D C 2.239 178.609 176.300 0.118 0.000 0.987 126 D CA 1.580 55.641 54.000 0.101 0.000 0.829 126 D CB 0.008 40.848 40.800 0.067 0.000 0.961 126 D HN 0.332 nan 8.370 nan 0.000 0.460 127 A N 0.959 123.799 122.820 0.034 0.000 1.908 127 A HA -0.142 4.178 4.320 0.001 0.000 0.218 127 A C 2.437 180.066 177.584 0.074 0.000 1.181 127 A CA 0.907 52.937 52.037 -0.012 0.000 0.627 127 A CB -0.788 18.114 19.000 -0.165 0.000 0.818 127 A HN 0.207 nan 8.150 nan 0.000 0.445 128 L N -0.475 120.769 121.223 0.036 0.000 2.083 128 L HA -0.197 4.143 4.340 0.001 0.000 0.209 128 L C 2.046 179.057 176.870 0.235 0.000 1.083 128 L CA 1.449 56.298 54.840 0.015 0.000 0.752 128 L CB -0.649 41.315 42.059 -0.158 0.000 0.899 128 L HN 0.375 nan 8.230 nan 0.000 0.433 129 D N -0.893 119.691 120.400 0.307 0.000 2.097 129 D HA -0.228 4.412 4.640 0.001 0.000 0.197 129 D C 1.747 178.245 176.300 0.331 0.000 0.984 129 D CA 1.080 55.292 54.000 0.353 0.000 0.826 129 D CB -0.302 40.652 40.800 0.258 0.000 0.973 129 D HN 0.394 nan 8.370 nan 0.000 0.460 130 W N 1.810 123.178 121.300 0.113 0.000 2.321 130 W HA -0.163 4.497 4.660 0.001 0.000 0.306 130 W C 2.096 178.675 176.519 0.100 0.000 1.217 130 W CA 1.246 58.634 57.345 0.071 0.000 1.257 130 W CB -0.313 29.148 29.460 0.003 0.000 1.145 130 W HN -0.088 nan 8.180 nan 0.000 0.509 131 L N -0.924 120.534 121.223 0.390 0.000 2.093 131 L HA -0.230 4.110 4.340 0.001 0.000 0.208 131 L C 2.384 179.415 176.870 0.269 0.000 1.085 131 L CA 1.426 56.462 54.840 0.327 0.000 0.755 131 L CB -1.281 40.981 42.059 0.337 0.000 0.904 131 L HN 0.061 nan 8.230 nan 0.000 0.435 132 Y N 0.244 120.669 120.300 0.207 0.000 2.274 132 Y HA -0.193 4.358 4.550 0.001 0.000 0.290 132 Y C 2.137 178.059 175.900 0.035 0.000 1.145 132 Y CA 1.416 59.625 58.100 0.182 0.000 1.203 132 Y CB -0.162 38.427 38.460 0.215 0.000 0.984 132 Y HN -0.121 nan 8.280 nan 0.000 0.533 133 V N 0.336 120.133 119.914 -0.195 0.000 2.374 133 V HA -0.188 3.933 4.120 0.001 0.000 0.241 133 V C 1.454 177.314 176.094 -0.390 0.000 1.034 133 V CA 1.996 64.084 62.300 -0.354 0.000 1.037 133 V CB -0.578 31.092 31.823 -0.255 0.000 0.682 133 V HN 0.314 nan 8.190 nan 0.000 0.463 134 N N -0.619 117.772 118.700 -0.515 0.000 2.422 134 N HA 0.003 4.743 4.740 0.001 0.000 0.181 134 N C 1.438 176.799 175.510 -0.249 0.000 1.080 134 N CA 0.992 53.717 53.050 -0.541 0.000 0.893 134 N CB 0.619 38.391 38.487 -1.192 0.000 0.973 134 N HN 0.409 nan 8.380 nan 0.000 0.456 135 S N -1.885 113.764 115.700 -0.085 0.000 2.462 135 S HA 0.121 4.591 4.470 0.001 0.000 0.269 135 S C -0.972 173.790 174.600 0.270 0.000 1.005 135 S CA -0.535 57.735 58.200 0.115 0.000 1.260 135 S CB -0.162 63.189 63.200 0.252 0.000 0.990 135 S HN 0.287 nan 8.310 nan 0.000 0.477 136 Y N 4.776 125.174 120.300 0.164 0.000 2.712 136 Y HA 0.570 5.120 4.550 0.001 0.000 0.328 136 Y C -0.404 175.632 175.900 0.226 0.000 0.995 136 Y CA -0.469 57.792 58.100 0.269 0.000 1.283 136 Y CB 0.118 38.813 38.460 0.393 0.000 1.092 136 Y HN 0.470 nan 8.280 nan 0.000 0.519 137 N N 0.178 118.812 118.700 -0.109 0.000 2.934 137 N HA 0.076 4.817 4.740 0.001 0.000 0.253 137 N C -0.243 175.044 175.510 -0.373 0.000 1.466 137 N CA -0.473 52.424 53.050 -0.255 0.000 0.858 137 N CB 1.224 39.416 38.487 -0.491 0.000 1.459 137 N HN 0.312 nan 8.380 nan 0.000 0.532 138 S N -1.666 113.680 115.700 -0.591 0.000 2.653 138 S HA -0.122 4.348 4.470 0.001 0.000 0.233 138 S C 1.277 175.362 174.600 -0.858 0.000 0.970 138 S CA 1.160 58.627 58.200 -1.222 0.000 0.947 138 S CB -1.217 61.272 63.200 -1.185 0.000 0.771 138 S HN 0.739 nan 8.310 nan 0.000 0.538 139 T N -0.949 113.331 114.554 -0.457 0.000 3.122 139 T HA 0.306 4.656 4.350 0.001 0.000 0.250 139 T C 0.480 175.070 174.700 -0.183 0.000 1.067 139 T CA -0.702 61.225 62.100 -0.290 0.000 0.966 139 T CB -0.123 68.608 68.868 -0.229 0.000 1.002 139 T HN 0.371 nan 8.240 nan 0.000 0.542 140 R N 0.839 121.255 120.500 -0.140 0.000 2.720 140 R HA 0.584 4.925 4.340 0.001 0.000 0.272 140 R C -0.249 176.101 176.300 0.083 0.000 0.991 140 R CA -0.724 55.342 56.100 -0.056 0.000 1.010 140 R CB 1.331 31.554 30.300 -0.129 0.000 1.141 140 R HN 0.169 nan 8.270 nan 0.000 0.494 141 S N 0.844 116.558 115.700 0.023 0.000 2.515 141 S HA 0.011 4.481 4.470 0.001 0.000 0.285 141 S C 1.156 175.853 174.600 0.162 0.000 1.265 141 S CA -0.176 58.072 58.200 0.081 0.000 1.079 141 S CB 0.374 63.604 63.200 0.050 0.000 0.877 141 S HN 0.509 nan 8.310 nan 0.000 0.493 142 R N 2.469 123.080 120.500 0.184 0.000 2.193 142 R HA -0.059 4.281 4.340 0.001 0.000 0.229 142 R C 1.641 178.100 176.300 0.267 0.000 1.110 142 R CA 1.528 57.774 56.100 0.244 0.000 0.988 142 R CB -0.153 30.135 30.300 -0.020 0.000 0.871 142 R HN 0.770 nan 8.270 nan 0.000 0.458 143 S N -0.836 114.983 115.700 0.198 0.000 2.554 143 S HA 0.305 4.776 4.470 0.001 0.000 0.226 143 S C 0.482 175.258 174.600 0.292 0.000 0.980 143 S CA -0.467 57.874 58.200 0.235 0.000 0.939 143 S CB 0.888 64.162 63.200 0.125 0.000 0.832 143 S HN 0.206 nan 8.310 nan 0.000 0.486 144 A N 2.109 125.078 122.820 0.249 0.000 2.522 144 A HA 0.342 4.663 4.320 0.001 0.000 0.256 144 A C -0.103 177.770 177.584 0.481 0.000 1.086 144 A CA -0.275 51.923 52.037 0.267 0.000 0.763 144 A CB -0.630 18.413 19.000 0.070 0.000 1.024 144 A HN 0.577 nan 8.150 nan 0.000 0.502 145 Y N 3.294 123.798 120.300 0.340 0.000 2.810 145 Y HA -0.061 4.489 4.550 0.001 0.000 0.332 145 Y C 0.777 176.914 175.900 0.395 0.000 1.243 145 Y CA 1.084 59.380 58.100 0.326 0.000 1.537 145 Y CB 0.274 38.864 38.460 0.217 0.000 1.265 145 Y HN 0.766 nan 8.280 nan 0.000 0.572 146 N N 7.384 125.808 118.700 -0.460 0.000 2.422 146 N HA 0.026 4.766 4.740 0.001 0.000 0.266 146 N C 1.169 176.516 175.510 -0.272 0.000 1.007 146 N CA -0.557 51.993 53.050 -0.832 0.000 0.941 146 N CB 0.313 38.088 38.487 -1.186 0.000 1.115 146 N HN 0.945 nan 8.380 nan 0.000 0.492 147 W N 4.350 125.670 121.300 0.033 0.000 2.325 147 W HA -0.194 4.466 4.660 0.001 0.000 0.299 147 W C 1.063 177.587 176.519 0.008 0.000 1.215 147 W CA 0.302 57.733 57.345 0.144 0.000 1.244 147 W CB -0.975 28.568 29.460 0.139 0.000 1.140 147 W HN 0.677 nan 8.180 nan 0.000 0.523 148 W N 2.085 122.350 121.300 -1.726 0.000 2.318 148 W HA -0.227 4.434 4.660 0.001 0.000 0.313 148 W C 2.779 178.744 176.519 -0.923 0.000 1.221 148 W CA 3.242 59.554 57.345 -1.722 0.000 1.266 148 W CB -1.074 27.396 29.460 -1.649 0.000 1.150 148 W HN 0.026 nan 8.180 nan 0.000 0.496 149 H N -2.598 116.086 119.070 -0.644 0.000 2.321 149 H HA -0.205 4.352 4.556 0.001 0.000 0.300 149 H C 1.898 176.689 175.328 -0.895 0.000 1.087 149 H CA 2.069 57.634 56.048 -0.805 0.000 1.319 149 H CB -0.801 28.409 29.762 -0.921 0.000 1.379 149 H HN 0.215 nan 8.280 nan 0.000 0.501 150 W N 1.021 122.113 121.300 -0.348 0.000 2.388 150 W HA -0.103 4.558 4.660 0.001 0.000 0.294 150 W C 2.235 178.415 176.519 -0.565 0.000 1.212 150 W CA 0.580 57.605 57.345 -0.532 0.000 1.271 150 W CB 0.076 29.220 29.460 -0.526 0.000 1.126 150 W HN 0.243 nan 8.180 nan 0.000 0.535 151 Q N -0.542 119.167 119.800 -0.152 0.000 2.376 151 Q HA 0.113 4.453 4.340 0.001 0.000 0.206 151 Q C 1.769 177.626 176.000 -0.238 0.000 0.921 151 Q CA 0.747 56.528 55.803 -0.037 0.000 0.911 151 Q CB 0.170 29.034 28.738 0.211 0.000 1.032 151 Q HN 0.393 nan 8.270 nan 0.000 0.510 152 L N -1.863 118.967 121.223 -0.655 0.000 2.691 152 L HA 0.289 4.629 4.340 0.001 0.000 0.185 152 L C 2.226 178.470 176.870 -1.043 0.000 1.081 152 L CA 0.519 54.837 54.840 -0.870 0.000 0.865 152 L CB -0.700 40.585 42.059 -1.290 0.000 1.370 152 L HN 0.148 nan 8.230 nan 0.000 0.488 153 G N 1.183 109.031 108.800 -1.587 0.000 2.491 153 G HA2 -0.245 3.716 3.960 0.001 0.000 0.218 153 G HA3 -0.245 3.716 3.960 0.001 0.000 0.218 153 G C 1.504 176.040 174.900 -0.608 0.000 1.180 153 G CA 1.238 45.688 45.100 -1.083 0.000 0.774 153 G HN 0.198 nan 8.290 nan 0.000 0.562 154 I N 1.435 121.608 120.570 -0.661 0.000 2.202 154 I HA -0.072 4.098 4.170 0.001 0.000 0.242 154 I C -0.162 175.610 176.117 -0.574 0.000 1.091 154 I CA 0.774 61.620 61.300 -0.757 0.000 1.368 154 I CB -0.694 36.592 38.000 -1.191 0.000 1.058 154 I HN 0.163 nan 8.210 nan 0.000 0.410 155 P HA -0.177 nan 4.420 nan 0.000 0.215 155 P C 1.890 179.113 177.300 -0.128 0.000 1.153 155 P CA 1.648 64.654 63.100 -0.157 0.000 0.853 155 P CB -0.039 31.621 31.700 -0.066 0.000 0.788 156 M N -1.353 118.142 119.600 -0.176 0.000 2.149 156 M HA -0.149 4.332 4.480 0.001 0.000 0.261 156 M C 2.118 178.410 176.300 -0.013 0.000 1.064 156 M CA 1.749 57.005 55.300 -0.072 0.000 1.102 156 M CB -0.801 31.746 32.600 -0.089 0.000 1.369 156 M HN -0.071 nan 8.290 nan 0.000 0.408 157 S N 0.675 116.332 115.700 -0.073 0.000 2.371 157 S HA -0.090 4.381 4.470 0.001 0.000 0.224 157 S C 1.697 176.328 174.600 0.053 0.000 1.029 157 S CA 0.870 59.070 58.200 -0.000 0.000 0.978 157 S CB -0.280 62.913 63.200 -0.011 0.000 0.833 157 S HN 0.286 nan 8.310 nan 0.000 0.466 158 L N 3.099 124.329 121.223 0.013 0.000 1.989 158 L HA -0.109 4.231 4.340 0.001 0.000 0.211 158 L C 1.833 178.753 176.870 0.083 0.000 1.071 158 L CA 1.773 56.652 54.840 0.065 0.000 0.749 158 L CB -1.155 40.917 42.059 0.022 0.000 0.890 158 L HN 0.181 nan 8.230 nan 0.000 0.431 159 N N 0.126 118.869 118.700 0.071 0.000 2.060 159 N HA -0.223 4.517 4.740 0.001 0.000 0.195 159 N C 1.540 177.140 175.510 0.150 0.000 1.028 159 N CA 1.798 54.900 53.050 0.086 0.000 0.861 159 N CB -0.537 37.964 38.487 0.024 0.000 1.029 159 N HN 0.439 nan 8.380 nan 0.000 0.428 160 D N 0.813 121.327 120.400 0.190 0.000 2.123 160 D HA -0.085 4.556 4.640 0.001 0.000 0.196 160 D C 2.161 178.568 176.300 0.178 0.000 0.992 160 D CA 0.562 54.712 54.000 0.250 0.000 0.833 160 D CB -0.290 40.638 40.800 0.213 0.000 0.954 160 D HN 0.322 nan 8.370 nan 0.000 0.455 161 I N 1.000 121.648 120.570 0.129 0.000 2.202 161 I HA -0.250 3.921 4.170 0.001 0.000 0.242 161 I C 2.508 178.707 176.117 0.138 0.000 1.091 161 I CA 0.937 62.297 61.300 0.101 0.000 1.368 161 I CB -0.246 37.789 38.000 0.058 0.000 1.058 161 I HN -0.077 nan 8.210 nan 0.000 0.410 162 A N 0.593 123.510 122.820 0.161 0.000 1.873 162 A HA -0.212 4.108 4.320 0.001 0.000 0.218 162 A C 2.422 180.163 177.584 0.263 0.000 1.193 162 A CA 2.269 54.443 52.037 0.229 0.000 0.629 162 A CB -1.144 17.996 19.000 0.234 0.000 0.826 162 A HN 0.258 nan 8.150 nan 0.000 0.447 163 V N -0.055 119.995 119.914 0.226 0.000 2.343 163 V HA -0.235 3.885 4.120 0.001 0.000 0.247 163 V C 2.527 178.749 176.094 0.214 0.000 1.051 163 V CA 1.922 64.353 62.300 0.218 0.000 1.036 163 V CB -0.689 31.299 31.823 0.275 0.000 0.654 163 V HN 0.560 nan 8.190 nan 0.000 0.451 164 L N -0.925 120.408 121.223 0.183 0.000 2.156 164 L HA -0.031 4.310 4.340 0.001 0.000 0.208 164 L C 1.774 178.717 176.870 0.122 0.000 1.095 164 L CA 1.241 56.161 54.840 0.134 0.000 0.770 164 L CB -0.195 41.921 42.059 0.095 0.000 0.914 164 L HN 0.303 nan 8.230 nan 0.000 0.439 165 L N -2.248 119.058 121.223 0.139 0.000 2.857 165 L HA 0.032 4.373 4.340 0.001 0.000 0.249 165 L C 1.780 178.736 176.870 0.143 0.000 1.172 165 L CA -0.317 54.587 54.840 0.108 0.000 0.980 165 L CB -0.241 41.865 42.059 0.078 0.000 1.299 165 L HN 0.075 nan 8.230 nan 0.000 0.535 166 Y N 1.877 122.218 120.300 0.068 0.000 2.062 166 Y HA -0.414 4.136 4.550 0.001 0.000 0.273 166 Y C 2.160 178.085 175.900 0.042 0.000 1.206 166 Y CA 2.235 60.373 58.100 0.063 0.000 1.125 166 Y CB 0.020 38.520 38.460 0.068 0.000 0.951 166 Y HN 0.329 nan 8.280 nan 0.000 0.501 167 D N -0.393 120.061 120.400 0.090 0.000 2.178 167 D HA -0.144 4.497 4.640 0.001 0.000 0.201 167 D C 1.059 177.318 176.300 -0.068 0.000 0.980 167 D CA 1.735 55.729 54.000 -0.010 0.000 0.842 167 D CB -0.357 40.484 40.800 0.069 0.000 0.948 167 D HN 0.528 nan 8.370 nan 0.000 0.472 168 D N -0.222 120.157 120.400 -0.035 0.000 2.325 168 D HA 0.163 4.803 4.640 0.001 0.000 0.225 168 D C 0.165 176.439 176.300 -0.045 0.000 1.096 168 D CA 0.015 53.994 54.000 -0.035 0.000 0.844 168 D CB 0.415 41.208 40.800 -0.013 0.000 0.925 168 D HN 0.221 nan 8.370 nan 0.000 0.513 169 I N 1.411 121.926 120.570 -0.092 0.000 2.328 169 I HA 0.113 4.283 4.170 0.001 0.000 0.287 169 I C 0.474 176.488 176.117 -0.172 0.000 1.012 169 I CA -0.804 60.439 61.300 -0.094 0.000 1.195 169 I CB 1.197 39.173 38.000 -0.041 0.000 1.350 169 I HN -0.081 nan 8.210 nan 0.000 0.464 170 S N 4.636 120.248 115.700 -0.147 0.000 2.566 170 S HA 0.154 4.624 4.470 0.001 0.000 0.280 170 S C 1.355 175.836 174.600 -0.198 0.000 1.343 170 S CA -0.061 58.046 58.200 -0.156 0.000 1.036 170 S CB 1.488 64.613 63.200 -0.126 0.000 0.866 170 S HN 0.736 nan 8.310 nan 0.000 0.526 171 A N 2.763 125.481 122.820 -0.171 0.000 1.978 171 A HA 0.120 4.440 4.320 0.001 0.000 0.220 171 A C 2.394 179.865 177.584 -0.188 0.000 1.170 171 A CA 1.776 53.713 52.037 -0.167 0.000 0.636 171 A CB -1.598 17.328 19.000 -0.123 0.000 0.810 171 A HN 1.354 nan 8.150 nan 0.000 0.448 172 A N -0.057 122.654 122.820 -0.182 0.000 1.858 172 A HA -0.169 4.152 4.320 0.001 0.000 0.216 172 A C 2.260 179.661 177.584 -0.304 0.000 1.190 172 A CA 1.600 53.520 52.037 -0.195 0.000 0.617 172 A CB -0.489 18.422 19.000 -0.147 0.000 0.827 172 A HN 0.544 nan 8.150 nan 0.000 0.443 173 R N -1.833 118.442 120.500 -0.375 0.000 2.073 173 R HA -0.131 4.210 4.340 0.001 0.000 0.234 173 R C 2.198 177.858 176.300 -1.067 0.000 1.134 173 R CA 1.707 57.397 56.100 -0.684 0.000 0.952 173 R CB -0.409 29.541 30.300 -0.583 0.000 0.850 173 R HN 0.519 nan 8.270 nan 0.000 0.433 174 M N 0.762 119.962 119.600 -0.668 0.000 2.267 174 M HA -0.119 4.361 4.480 0.001 0.000 0.263 174 M C 1.908 178.043 176.300 -0.274 0.000 1.063 174 M CA 1.466 56.516 55.300 -0.417 0.000 1.090 174 M CB -0.205 32.279 32.600 -0.192 0.000 1.392 174 M HN 0.190 nan 8.290 nan 0.000 0.422 175 A N -0.826 121.817 122.820 -0.295 0.000 1.841 175 A HA -0.159 4.161 4.320 0.001 0.000 0.214 175 A C 2.216 179.668 177.584 -0.221 0.000 1.195 175 A CA 2.384 54.299 52.037 -0.203 0.000 0.611 175 A CB -1.658 17.227 19.000 -0.191 0.000 0.835 175 A HN 0.649 nan 8.150 nan 0.000 0.443 176 T N -2.815 111.505 114.554 -0.390 0.000 2.897 176 T HA -0.183 4.168 4.350 0.001 0.000 0.271 176 T C 1.677 176.292 174.700 -0.141 0.000 1.084 176 T CA 1.568 63.328 62.100 -0.566 0.000 1.123 176 T CB -0.671 67.491 68.868 -1.176 0.000 0.865 176 T HN 0.623 nan 8.240 nan 0.000 0.496 177 Y N 0.499 120.718 120.300 -0.134 0.000 2.177 177 Y HA 0.112 4.662 4.550 0.001 0.000 0.291 177 Y C 2.849 178.788 175.900 0.065 0.000 1.117 177 Y CA 0.199 58.319 58.100 0.032 0.000 1.114 177 Y CB -0.151 38.345 38.460 0.060 0.000 1.017 177 Y HN 0.121 nan 8.280 nan 0.000 0.505 178 M N 0.022 119.740 119.600 0.197 0.000 2.476 178 M HA -0.126 4.355 4.480 0.001 0.000 0.262 178 M C 0.970 177.314 176.300 0.073 0.000 1.079 178 M CA 0.987 56.358 55.300 0.119 0.000 1.104 178 M CB -0.822 31.819 32.600 0.068 0.000 1.409 178 M HN 0.309 nan 8.290 nan 0.000 0.467 179 D N 0.213 120.638 120.400 0.043 0.000 2.103 179 D HA -0.064 4.577 4.640 0.001 0.000 0.199 179 D C 1.758 178.087 176.300 0.048 0.000 0.978 179 D CA 1.445 55.456 54.000 0.018 0.000 0.829 179 D CB 0.049 40.835 40.800 -0.024 0.000 0.981 179 D HN 0.279 nan 8.370 nan 0.000 0.464 180 T N 1.768 116.367 114.554 0.075 0.000 2.720 180 T HA -0.111 4.240 4.350 0.001 0.000 0.268 180 T C 2.257 177.053 174.700 0.160 0.000 1.037 180 T CA 0.645 62.775 62.100 0.050 0.000 1.144 180 T CB -0.180 68.713 68.868 0.041 0.000 0.864 180 T HN 0.155 nan 8.240 nan 0.000 0.444 181 I N 1.288 121.992 120.570 0.224 0.000 2.127 181 I HA -0.187 3.984 4.170 0.001 0.000 0.241 181 I C 2.585 178.806 176.117 0.174 0.000 1.075 181 I CA 1.412 62.871 61.300 0.266 0.000 1.334 181 I CB -0.430 37.685 38.000 0.193 0.000 1.040 181 I HN 0.160 nan 8.210 nan 0.000 0.405 182 D N 0.062 120.522 120.400 0.101 0.000 2.221 182 D HA -0.250 4.391 4.640 0.001 0.000 0.204 182 D C 1.911 178.233 176.300 0.036 0.000 0.982 182 D CA 1.145 55.175 54.000 0.051 0.000 0.857 182 D CB -0.050 40.766 40.800 0.026 0.000 0.934 182 D HN 0.402 nan 8.370 nan 0.000 0.475 183 Y N 0.122 120.356 120.300 -0.110 0.000 2.109 183 Y HA -0.165 4.386 4.550 0.001 0.000 0.285 183 Y C 1.918 177.677 175.900 -0.236 0.000 1.131 183 Y CA 1.614 59.563 58.100 -0.252 0.000 1.121 183 Y CB -0.878 37.295 38.460 -0.478 0.000 0.987 183 Y HN -0.143 nan 8.280 nan 0.000 0.495 184 F N 0.120 119.911 119.950 -0.264 0.000 2.102 184 F HA -0.061 4.466 4.527 0.001 0.000 0.298 184 F C 1.297 177.005 175.800 -0.153 0.000 1.105 184 F CA 1.700 59.530 58.000 -0.283 0.000 1.239 184 F CB -0.899 38.110 39.000 0.015 0.000 0.991 184 F HN -0.129 nan 8.300 nan 0.000 0.474 185 T N 2.290 116.918 114.554 0.124 0.000 3.060 185 T HA 0.217 4.567 4.350 0.001 0.000 0.367 185 T C -1.875 172.839 174.700 0.023 0.000 1.229 185 T CA -1.052 61.089 62.100 0.068 0.000 1.104 185 T CB 1.704 70.622 68.868 0.085 0.000 1.083 185 T HN -0.022 nan 8.240 nan 0.000 0.524 186 P HA 0.123 nan 4.420 nan 0.000 0.238 186 P C 0.349 177.640 177.300 -0.014 0.000 1.183 186 P CA 0.110 63.199 63.100 -0.018 0.000 0.813 186 P CB 0.592 32.270 31.700 -0.038 0.000 0.944 187 S N -0.969 114.726 115.700 -0.009 0.000 2.776 187 S HA 0.612 5.082 4.470 0.001 0.000 0.292 187 S C -0.963 173.640 174.600 0.005 0.000 1.187 187 S CA -0.865 57.331 58.200 -0.007 0.000 0.834 187 S CB 0.886 64.078 63.200 -0.012 0.000 1.199 187 S HN -0.123 nan 8.310 nan 0.000 0.514 188 I N 0.816 121.388 120.570 0.003 0.000 2.389 188 I HA 0.657 4.828 4.170 0.001 0.000 0.288 188 I C 0.646 176.767 176.117 0.006 0.000 0.999 188 I CA -0.508 60.799 61.300 0.012 0.000 1.129 188 I CB 1.897 39.900 38.000 0.005 0.000 1.288 188 I HN 1.058 nan 8.210 nan 0.000 0.444 189 G N 6.073 114.879 108.800 0.011 0.000 4.541 189 G HA2 0.305 4.266 3.960 0.001 0.000 0.246 189 G HA3 0.305 4.266 3.960 0.001 0.000 0.246 189 G C -0.065 174.834 174.900 -0.003 0.000 1.034 189 G CA -0.124 44.975 45.100 -0.001 0.000 0.818 189 G HN 0.357 nan 8.290 nan 0.000 0.359 190 L N 0.425 121.659 121.223 0.018 0.000 2.970 190 L HA 0.792 5.132 4.340 0.001 0.000 0.214 190 L C 1.086 177.971 176.870 0.025 0.000 1.317 190 L CA -0.575 54.278 54.840 0.021 0.000 1.187 190 L CB 1.126 43.226 42.059 0.068 0.000 2.155 190 L HN 0.179 nan 8.230 nan 0.000 0.554 191 T N -3.037 111.536 114.554 0.033 0.000 2.864 191 T HA 0.618 4.968 4.350 0.001 0.000 0.289 191 T C 0.394 175.101 174.700 0.011 0.000 1.082 191 T CA -0.101 62.007 62.100 0.013 0.000 1.009 191 T CB 1.395 70.257 68.868 -0.011 0.000 1.234 191 T HN 0.956 nan 8.240 nan 0.000 0.526 192 G N 1.251 110.048 108.800 -0.006 0.000 2.660 192 G HA2 -0.155 3.805 3.960 0.001 0.000 0.338 192 G HA3 -0.155 3.805 3.960 0.001 0.000 0.338 192 G C 1.403 176.281 174.900 -0.037 0.000 1.336 192 G CA 1.578 46.676 45.100 -0.003 0.000 0.990 192 G HN 1.890 nan 8.290 nan 0.000 0.537 193 A N -0.611 122.139 122.820 -0.117 0.000 1.948 193 A HA -0.185 4.136 4.320 0.001 0.000 0.220 193 A C 2.279 179.673 177.584 -0.316 0.000 1.177 193 A CA 2.615 54.401 52.037 -0.418 0.000 0.636 193 A CB -0.562 18.133 19.000 -0.508 0.000 0.815 193 A HN 0.685 nan 8.150 nan 0.000 0.449 194 N N -0.598 118.193 118.700 0.152 0.000 2.142 194 N HA -0.159 4.582 4.740 0.001 0.000 0.186 194 N C 1.904 177.613 175.510 0.331 0.000 1.023 194 N CA 1.519 54.889 53.050 0.533 0.000 0.852 194 N CB -0.483 38.323 38.487 0.532 0.000 0.998 194 N HN 0.701 nan 8.380 nan 0.000 0.424 195 R N 1.110 121.703 120.500 0.155 0.000 2.081 195 R HA -0.023 4.317 4.340 0.001 0.000 0.235 195 R C 2.042 178.390 176.300 0.079 0.000 1.131 195 R CA 1.443 57.602 56.100 0.099 0.000 0.960 195 R CB -0.204 30.121 30.300 0.042 0.000 0.856 195 R HN 0.150 nan 8.270 nan 0.000 0.436 196 A N 0.572 123.406 122.820 0.023 0.000 1.902 196 A HA -0.165 4.156 4.320 0.001 0.000 0.217 196 A C 1.862 179.494 177.584 0.080 0.000 1.181 196 A CA 1.156 53.185 52.037 -0.013 0.000 0.623 196 A CB -0.923 18.012 19.000 -0.109 0.000 0.818 196 A HN 0.561 nan 8.150 nan 0.000 0.443 197 W N 0.481 121.847 121.300 0.110 0.000 2.363 197 W HA -0.145 4.516 4.660 0.000 0.000 0.296 197 W C 2.521 179.057 176.519 0.028 0.000 1.212 197 W CA 1.297 58.693 57.345 0.085 0.000 1.260 197 W CB -0.940 28.594 29.460 0.122 0.000 1.131 197 W HN 0.580 nan 8.180 nan 0.000 0.530 198 Q N -0.148 119.813 119.800 0.268 0.000 2.084 198 Q HA -0.132 4.209 4.340 0.001 0.000 0.202 198 Q C 2.429 178.477 176.000 0.079 0.000 0.978 198 Q CA 1.779 57.667 55.803 0.142 0.000 0.844 198 Q CB -0.798 28.011 28.738 0.119 0.000 0.898 198 Q HN 0.143 nan 8.270 nan 0.000 0.426 199 A N 1.226 124.087 122.820 0.068 0.000 1.917 199 A HA -0.216 4.105 4.320 0.001 0.000 0.219 199 A C 2.071 179.653 177.584 -0.003 0.000 1.182 199 A CA 1.545 53.590 52.037 0.014 0.000 0.633 199 A CB -0.560 18.438 19.000 -0.004 0.000 0.819 199 A HN 0.360 nan 8.150 nan 0.000 0.448 200 I N -0.789 119.806 120.570 0.041 0.000 2.617 200 I HA -0.082 4.088 4.170 0.001 0.000 0.256 200 I C 2.096 178.181 176.117 -0.053 0.000 1.167 200 I CA 0.896 62.196 61.300 -0.001 0.000 1.469 200 I CB 0.043 38.112 38.000 0.115 0.000 1.098 200 I HN 0.094 nan 8.210 nan 0.000 0.436 201 V N -0.608 119.305 119.914 -0.002 0.000 2.302 201 V HA -0.178 3.942 4.120 0.001 0.000 0.243 201 V C 2.431 178.494 176.094 -0.052 0.000 1.036 201 V CA 1.605 63.889 62.300 -0.028 0.000 1.020 201 V CB -0.443 31.376 31.823 -0.006 0.000 0.657 201 V HN 0.233 nan 8.190 nan 0.000 0.453 202 V N 1.031 120.921 119.914 -0.039 0.000 2.343 202 V HA -0.175 3.946 4.120 0.001 0.000 0.247 202 V C 2.630 178.661 176.094 -0.104 0.000 1.051 202 V CA 2.248 64.515 62.300 -0.056 0.000 1.036 202 V CB -1.423 30.375 31.823 -0.042 0.000 0.654 202 V HN 0.607 nan 8.190 nan 0.000 0.451 203 G N -0.159 108.564 108.800 -0.127 0.000 2.433 203 G HA2 -0.210 3.750 3.960 0.001 0.000 0.216 203 G HA3 -0.210 3.750 3.960 0.001 0.000 0.216 203 G C 1.673 176.424 174.900 -0.249 0.000 1.186 203 G CA 1.261 46.250 45.100 -0.185 0.000 0.779 203 G HN 0.376 nan 8.290 nan 0.000 0.543 204 V N 0.877 120.602 119.914 -0.315 0.000 2.407 204 V HA -0.145 3.976 4.120 0.001 0.000 0.248 204 V C 2.762 178.710 176.094 -0.244 0.000 1.055 204 V CA 2.087 64.136 62.300 -0.418 0.000 1.049 204 V CB -0.474 31.010 31.823 -0.565 0.000 0.662 204 V HN 0.443 nan 8.190 nan 0.000 0.455 205 R N 0.513 120.918 120.500 -0.159 0.000 2.075 205 R HA -0.132 4.209 4.340 0.001 0.000 0.232 205 R C 2.318 178.546 176.300 -0.120 0.000 1.126 205 R CA 1.571 57.615 56.100 -0.093 0.000 0.963 205 R CB -0.456 29.814 30.300 -0.049 0.000 0.858 205 R HN 0.446 nan 8.270 nan 0.000 0.435 206 A N 0.554 123.284 122.820 -0.150 0.000 1.917 206 A HA -0.140 4.181 4.320 0.001 0.000 0.219 206 A C 2.270 179.731 177.584 -0.206 0.000 1.182 206 A CA 1.834 53.762 52.037 -0.183 0.000 0.633 206 A CB -0.676 18.206 19.000 -0.196 0.000 0.819 206 A HN 0.244 nan 8.150 nan 0.000 0.448 207 V N 0.170 119.992 119.914 -0.153 0.000 2.407 207 V HA -0.260 3.860 4.120 0.001 0.000 0.248 207 V C 2.403 178.428 176.094 -0.116 0.000 1.055 207 V CA 1.967 64.239 62.300 -0.048 0.000 1.049 207 V CB -0.653 31.121 31.823 -0.082 0.000 0.662 207 V HN 0.574 nan 8.190 nan 0.000 0.455 208 I N 0.744 121.238 120.570 -0.126 0.000 2.202 208 I HA -0.140 4.030 4.170 0.001 0.000 0.242 208 I C 2.050 178.134 176.117 -0.055 0.000 1.091 208 I CA 1.737 62.993 61.300 -0.073 0.000 1.368 208 I CB -0.342 37.669 38.000 0.017 0.000 1.058 208 I HN 0.374 nan 8.210 nan 0.000 0.410 209 V N -1.830 118.012 119.914 -0.119 0.000 3.577 209 V HA 0.149 4.269 4.120 0.001 0.000 0.294 209 V C 0.723 176.628 176.094 -0.315 0.000 1.317 209 V CA -0.407 61.807 62.300 -0.143 0.000 1.169 209 V CB -1.359 30.398 31.823 -0.110 0.000 1.011 209 V HN 0.412 nan 8.190 nan 0.000 0.426 210 K N 1.345 121.422 120.400 -0.538 0.000 3.311 210 K HA -0.217 4.104 4.320 0.001 0.000 0.270 210 K C -0.085 175.853 176.600 -1.104 0.000 0.927 210 K CA 1.229 56.730 56.287 -1.310 0.000 0.706 210 K CB -1.321 30.586 32.500 -0.989 0.000 1.418 210 K HN 0.779 nan 8.250 nan 0.000 0.459 211 D N -0.019 119.981 120.400 -0.666 0.000 2.427 211 D HA 0.342 4.983 4.640 0.001 0.000 0.226 211 D C 0.875 177.074 176.300 -0.169 0.000 1.076 211 D CA 0.199 54.009 54.000 -0.315 0.000 0.849 211 D CB 1.293 41.977 40.800 -0.194 0.000 1.052 211 D HN 0.260 nan 8.370 nan 0.000 0.515 212 A N 3.622 126.482 122.820 0.067 0.000 1.969 212 A HA -0.063 4.257 4.320 0.001 0.000 0.218 212 A C 2.089 179.713 177.584 0.067 0.000 1.169 212 A CA 0.939 53.102 52.037 0.211 0.000 0.635 212 A CB -0.187 19.154 19.000 0.569 0.000 0.810 212 A HN 0.501 nan 8.150 nan 0.000 0.445 213 V N 0.680 120.625 119.914 0.052 0.000 2.223 213 V HA -0.266 3.855 4.120 0.001 0.000 0.244 213 V C 2.501 178.581 176.094 -0.024 0.000 1.045 213 V CA 2.111 64.432 62.300 0.035 0.000 1.000 213 V CB -0.754 31.082 31.823 0.021 0.000 0.635 213 V HN 0.407 nan 8.190 nan 0.000 0.445 214 K N -0.091 120.272 120.400 -0.061 0.000 2.059 214 K HA -0.229 4.091 4.320 0.001 0.000 0.212 214 K C 2.127 178.650 176.600 -0.129 0.000 1.050 214 K CA 1.611 57.848 56.287 -0.084 0.000 0.927 214 K CB -1.048 31.394 32.500 -0.096 0.000 0.714 214 K HN 0.330 nan 8.250 nan 0.000 0.447 215 L N 1.056 122.146 121.223 -0.222 0.000 2.042 215 L HA -0.130 4.211 4.340 0.001 0.000 0.210 215 L C 2.206 178.908 176.870 -0.281 0.000 1.076 215 L CA 2.095 56.721 54.840 -0.356 0.000 0.749 215 L CB -0.872 40.762 42.059 -0.709 0.000 0.893 215 L HN 0.193 nan 8.230 nan 0.000 0.432 216 A N -0.958 121.750 122.820 -0.187 0.000 2.015 216 A HA -0.010 4.311 4.320 0.001 0.000 0.219 216 A C 2.399 180.001 177.584 0.029 0.000 1.163 216 A CA 1.475 53.549 52.037 0.063 0.000 0.646 216 A CB -0.912 18.213 19.000 0.207 0.000 0.806 216 A HN 0.560 nan 8.150 nan 0.000 0.448 217 A N -0.139 122.670 122.820 -0.017 0.000 1.929 217 A HA 0.254 4.574 4.320 0.001 0.000 0.216 217 A C 2.466 180.033 177.584 -0.027 0.000 1.176 217 A CA 1.722 53.751 52.037 -0.014 0.000 0.628 217 A CB -0.870 18.116 19.000 -0.023 0.000 0.816 217 A HN 0.925 nan 8.150 nan 0.000 0.444 218 A N -0.106 122.682 122.820 -0.054 0.000 1.873 218 A HA -0.157 4.164 4.320 0.001 0.000 0.215 218 A C 2.265 179.821 177.584 -0.047 0.000 1.186 218 A CA 1.653 53.655 52.037 -0.058 0.000 0.616 218 A CB -0.555 18.392 19.000 -0.088 0.000 0.823 218 A HN 0.527 nan 8.150 nan 0.000 0.442 219 R N 0.213 120.697 120.500 -0.026 0.000 2.091 219 R HA -0.179 4.161 4.340 0.001 0.000 0.238 219 R C 1.698 177.995 176.300 -0.006 0.000 1.136 219 R CA 2.029 58.133 56.100 0.007 0.000 0.959 219 R CB -0.502 29.845 30.300 0.079 0.000 0.856 219 R HN 0.749 nan 8.270 nan 0.000 0.437 220 N N -0.909 117.793 118.700 0.004 0.000 2.331 220 N HA -0.064 4.677 4.740 0.001 0.000 0.180 220 N C 1.746 177.229 175.510 -0.044 0.000 1.019 220 N CA 0.560 53.610 53.050 -0.000 0.000 0.881 220 N CB -0.124 38.375 38.487 0.021 0.000 0.972 220 N HN 0.327 nan 8.380 nan 0.000 0.435 221 G N 1.643 110.409 108.800 -0.056 0.000 2.450 221 G HA2 -0.200 3.760 3.960 0.001 0.000 0.220 221 G HA3 -0.200 3.760 3.960 0.001 0.000 0.220 221 G C 1.400 176.217 174.900 -0.138 0.000 1.130 221 G CA 0.392 45.451 45.100 -0.068 0.000 0.760 221 G HN 0.193 nan 8.290 nan 0.000 0.557 222 L N 0.910 121.984 121.223 -0.248 0.000 2.353 222 L HA -0.031 4.310 4.340 0.001 0.000 0.220 222 L C 2.563 179.021 176.870 -0.687 0.000 1.133 222 L CA 0.750 55.261 54.840 -0.547 0.000 0.798 222 L CB -0.124 41.437 42.059 -0.831 0.000 0.922 222 L HN 0.142 nan 8.230 nan 0.000 0.445 223 S N -0.333 115.183 115.700 -0.307 0.000 2.603 223 S HA 0.095 4.566 4.470 0.001 0.000 0.220 223 S C 1.162 175.759 174.600 -0.005 0.000 0.967 223 S CA 0.238 58.408 58.200 -0.050 0.000 0.920 223 S CB -0.056 63.187 63.200 0.071 0.000 0.773 223 S HN 0.507 nan 8.310 nan 0.000 0.529 224 G N 1.233 110.003 108.800 -0.049 0.000 2.621 224 G HA2 0.321 4.281 3.960 0.001 0.000 0.271 224 G HA3 0.321 4.281 3.960 0.001 0.000 0.271 224 G C -0.230 174.681 174.900 0.020 0.000 1.236 224 G CA -0.508 44.588 45.100 -0.007 0.000 0.958 224 G HN 0.211 nan 8.290 nan 0.000 0.512 225 T N 0.053 114.618 114.554 0.019 0.000 2.905 225 T HA 0.350 4.700 4.350 0.001 0.000 0.299 225 T C 1.526 176.243 174.700 0.028 0.000 1.024 225 T CA 1.673 63.785 62.100 0.021 0.000 1.151 225 T CB 0.430 69.300 68.868 0.003 0.000 0.987 225 T HN 1.842 nan 8.240 nan 0.000 0.535 226 G N 2.407 111.231 108.800 0.040 0.000 2.159 226 G HA2 -0.228 3.732 3.960 0.001 0.000 0.256 226 G HA3 -0.228 3.732 3.960 0.001 0.000 0.256 226 G C 0.430 175.438 174.900 0.181 0.000 0.977 226 G CA 0.462 45.591 45.100 0.048 0.000 0.652 226 G HN 0.686 nan 8.290 nan 0.000 0.531 227 I N -1.978 118.732 120.570 0.233 0.000 4.761 227 I HA 0.410 4.581 4.170 0.001 0.000 0.247 227 I C 1.915 178.413 176.117 0.636 0.000 0.760 227 I CA -0.660 60.874 61.300 0.390 0.000 2.578 227 I CB -0.572 37.502 38.000 0.122 0.000 1.478 227 I HN -0.135 nan 8.210 nan 0.000 0.507 228 F N 2.643 122.733 119.950 0.233 0.000 2.046 228 F HA -0.030 4.497 4.527 0.000 0.000 0.297 228 F C -1.190 174.594 175.800 -0.026 0.000 1.123 228 F CA 0.499 58.526 58.000 0.046 0.000 1.199 228 F CB -2.398 36.559 39.000 -0.071 0.000 0.972 228 F HN 0.041 nan 8.300 nan 0.000 0.474 229 P HA -0.024 nan 4.420 nan 0.000 0.276 229 P C -0.814 176.547 177.300 0.101 0.000 1.235 229 P CA 0.063 63.207 63.100 0.073 0.000 0.772 229 P CB 0.044 31.799 31.700 0.092 0.000 0.871 230 Y N 1.415 121.800 120.300 0.141 0.000 2.683 230 Y HA 0.170 4.720 4.550 0.001 0.000 0.340 230 Y C 1.485 177.343 175.900 -0.069 0.000 1.245 230 Y CA -0.458 57.691 58.100 0.082 0.000 1.485 230 Y CB 0.455 38.962 38.460 0.077 0.000 1.328 230 Y HN 0.443 nan 8.280 nan 0.000 0.603 231 A N 1.493 124.252 122.820 -0.102 0.000 2.306 231 A HA 0.475 4.796 4.320 0.001 0.000 0.330 231 A C 0.448 177.730 177.584 -0.504 0.000 1.146 231 A CA -0.525 51.291 52.037 -0.369 0.000 0.827 231 A CB 0.658 19.306 19.000 -0.586 0.000 1.178 231 A HN 0.816 nan 8.150 nan 0.000 0.490 232 T N 0.003 114.423 114.554 -0.224 0.000 3.010 232 T HA 0.494 4.845 4.350 0.001 0.000 0.257 232 T C 0.533 175.306 174.700 0.121 0.000 1.020 232 T CA 0.568 62.652 62.100 -0.026 0.000 0.938 232 T CB 0.305 69.188 68.868 0.024 0.000 1.049 232 T HN 1.446 nan 8.240 nan 0.000 0.522 233 G N -0.694 108.145 108.800 0.065 0.000 2.519 233 G HA2 0.540 4.501 3.960 0.001 0.000 0.292 233 G HA3 0.540 4.501 3.960 0.001 0.000 0.292 233 G C -0.164 174.802 174.900 0.110 0.000 1.507 233 G CA 0.170 45.379 45.100 0.183 0.000 0.806 233 G HN 0.537 nan 8.290 nan 0.000 0.523 234 G N 0.294 109.174 108.800 0.133 0.000 2.642 234 G HA2 0.047 4.008 3.960 0.001 0.000 0.231 234 G HA3 0.047 4.008 3.960 0.001 0.000 0.231 234 G C -0.463 174.452 174.900 0.026 0.000 1.338 234 G CA 0.110 45.242 45.100 0.052 0.000 0.883 234 G HN 0.992 nan 8.290 nan 0.000 0.570 235 D N 1.501 121.864 120.400 -0.063 0.000 2.372 235 D HA 0.564 5.205 4.640 0.001 0.000 0.243 235 D C 0.976 177.127 176.300 -0.248 0.000 1.121 235 D CA 1.863 55.751 54.000 -0.186 0.000 0.898 235 D CB 0.888 41.587 40.800 -0.168 0.000 1.202 235 D HN 1.886 nan 8.370 nan 0.000 0.428 236 G N -0.297 108.212 108.800 -0.487 0.000 2.331 236 G HA2 0.024 3.985 3.960 0.001 0.000 0.402 236 G HA3 0.024 3.985 3.960 0.001 0.000 0.402 236 G C -1.403 173.262 174.900 -0.392 0.000 1.275 236 G CA -1.087 43.800 45.100 -0.355 0.000 1.003 236 G HN 0.240 nan 8.290 nan 0.000 0.500 237 F N 0.057 120.030 119.950 0.038 0.000 2.397 237 F HA 0.746 5.274 4.527 0.001 0.000 0.331 237 F C 0.282 176.222 175.800 0.234 0.000 1.090 237 F CA -0.180 57.954 58.000 0.222 0.000 1.065 237 F CB 1.389 40.463 39.000 0.124 0.000 1.184 237 F HN 0.421 nan 8.300 nan 0.000 0.499 238 Y N 0.302 120.818 120.300 0.360 0.000 2.496 238 Y HA 0.480 5.030 4.550 0.001 0.000 0.331 238 Y C 1.009 176.852 175.900 -0.094 0.000 1.140 238 Y CA -0.939 57.252 58.100 0.151 0.000 1.166 238 Y CB 1.473 39.968 38.460 0.059 0.000 1.249 238 Y HN 0.656 nan 8.280 nan 0.000 0.479 239 A N 0.555 123.183 122.820 -0.320 0.000 2.076 239 A HA -0.209 4.112 4.320 0.001 0.000 0.220 239 A C 1.459 178.920 177.584 -0.206 0.000 1.160 239 A CA 2.050 53.696 52.037 -0.651 0.000 0.653 239 A CB -0.706 18.024 19.000 -0.451 0.000 0.801 239 A HN 0.819 nan 8.150 nan 0.000 0.455 240 D N -2.543 117.846 120.400 -0.018 0.000 2.328 240 D HA 0.290 4.930 4.640 0.001 0.000 0.226 240 D C 1.128 177.474 176.300 0.076 0.000 1.066 240 D CA 0.910 54.906 54.000 -0.007 0.000 0.861 240 D CB -0.452 40.331 40.800 -0.028 0.000 0.912 240 D HN 0.741 nan 8.370 nan 0.000 0.521 241 G N -0.467 108.464 108.800 0.217 0.000 2.194 241 G HA2 -0.264 3.697 3.960 0.001 0.000 0.236 241 G HA3 -0.264 3.697 3.960 0.001 0.000 0.236 241 G C 0.440 175.618 174.900 0.464 0.000 0.987 241 G CA 0.172 45.497 45.100 0.375 0.000 0.635 241 G HN 0.426 nan 8.290 nan 0.000 0.520 242 S N -0.245 115.698 115.700 0.405 0.000 2.584 242 S HA 0.621 5.091 4.470 0.001 0.000 0.270 242 S C -0.505 174.235 174.600 0.234 0.000 1.346 242 S CA 0.329 58.661 58.200 0.220 0.000 1.018 242 S CB 1.196 64.395 63.200 -0.003 0.000 0.899 242 S HN 0.912 nan 8.310 nan 0.000 0.542 243 F N 1.688 121.564 119.950 -0.124 0.000 2.562 243 F HA 0.574 5.101 4.527 0.001 0.000 0.319 243 F C -1.151 174.565 175.800 -0.141 0.000 1.154 243 F CA -0.609 57.233 58.000 -0.265 0.000 0.931 243 F CB 0.964 39.602 39.000 -0.604 0.000 1.198 243 F HN 0.294 nan 8.300 nan 0.000 0.444 244 V N 4.938 124.386 119.914 -0.777 0.000 2.715 244 V HA 0.688 4.809 4.120 0.001 0.000 0.310 244 V C -0.972 174.737 176.094 -0.641 0.000 1.054 244 V CA -0.662 61.376 62.300 -0.437 0.000 0.928 244 V CB 1.805 33.541 31.823 -0.145 0.000 1.007 244 V HN 0.751 nan 8.190 nan 0.000 0.437 245 Q N 0.743 120.442 119.800 -0.168 0.000 2.377 245 Q HA 0.485 4.826 4.340 0.001 0.000 0.279 245 Q C -0.298 175.785 176.000 0.138 0.000 1.049 245 Q CA -0.438 55.259 55.803 -0.177 0.000 0.825 245 Q CB 1.239 29.783 28.738 -0.323 0.000 1.401 245 Q HN 0.833 nan 8.270 nan 0.000 0.404 246 H N 2.243 121.298 119.070 -0.025 0.000 2.839 246 H HA -0.249 4.307 4.556 0.001 0.000 0.298 246 H C -0.091 175.345 175.328 0.180 0.000 1.224 246 H CA 0.409 56.531 56.048 0.124 0.000 1.144 246 H CB -1.308 28.616 29.762 0.271 0.000 1.372 246 H HN 0.949 nan 8.280 nan 0.000 0.408 247 T N -2.594 112.056 114.554 0.160 0.000 11.905 247 T HA -0.351 4.000 4.350 0.001 0.000 0.415 247 T C 1.314 176.006 174.700 -0.013 0.000 1.473 247 T CA 2.580 64.715 62.100 0.059 0.000 2.431 247 T CB -1.181 67.711 68.868 0.041 0.000 2.843 247 T HN 0.782 nan 8.240 nan 0.000 0.889 248 T N -0.862 113.635 114.554 -0.095 0.000 3.393 248 T HA 0.624 4.975 4.350 0.001 0.000 0.298 248 T C -0.370 173.963 174.700 -0.613 0.000 1.004 248 T CA -0.631 61.250 62.100 -0.366 0.000 0.956 248 T CB -0.112 68.463 68.868 -0.489 0.000 1.182 248 T HN 0.358 nan 8.240 nan 0.000 0.497 249 F N 1.617 121.590 119.950 0.038 0.000 2.520 249 F HA 0.744 5.271 4.527 0.001 0.000 0.322 249 F C 0.471 176.229 175.800 -0.071 0.000 1.103 249 F CA -1.541 56.447 58.000 -0.020 0.000 0.926 249 F CB 1.610 40.616 39.000 0.010 0.000 1.154 249 F HN 0.171 nan 8.300 nan 0.000 0.453 250 A N 2.504 125.326 122.820 0.005 0.000 2.438 250 A HA 0.259 4.580 4.320 0.001 0.000 0.280 250 A C -0.904 176.615 177.584 -0.107 0.000 1.160 250 A CA 0.277 52.275 52.037 -0.066 0.000 0.821 250 A CB -0.465 18.466 19.000 -0.115 0.000 1.101 250 A HN 0.810 nan 8.150 nan 0.000 0.515 251 Y N 1.825 122.179 120.300 0.090 0.000 2.738 251 Y HA 0.101 4.652 4.550 0.001 0.000 0.249 251 Y C 1.964 177.951 175.900 0.146 0.000 1.157 251 Y CA 0.230 58.426 58.100 0.159 0.000 1.189 251 Y CB 0.079 38.708 38.460 0.282 0.000 1.262 251 Y HN 0.744 nan 8.280 nan 0.000 0.554 252 T N -1.274 113.371 114.554 0.151 0.000 2.685 252 T HA -0.253 4.098 4.350 0.001 0.000 0.268 252 T C 2.135 176.758 174.700 -0.128 0.000 1.034 252 T CA 1.968 63.960 62.100 -0.180 0.000 1.149 252 T CB -0.426 68.243 68.868 -0.333 0.000 0.860 252 T HN 0.581 nan 8.240 nan 0.000 0.449 253 G N -0.146 108.625 108.800 -0.049 0.000 2.880 253 G HA2 0.365 4.325 3.960 0.001 0.000 0.209 253 G HA3 0.365 4.325 3.960 0.001 0.000 0.209 253 G C 1.099 176.004 174.900 0.008 0.000 1.157 253 G CA 0.604 45.697 45.100 -0.012 0.000 0.779 253 G HN 0.603 nan 8.290 nan 0.000 0.539 254 G N 0.060 108.922 108.800 0.102 0.000 2.606 254 G HA2 0.168 4.128 3.960 0.001 0.000 0.213 254 G HA3 0.168 4.128 3.960 0.001 0.000 0.213 254 G C 1.119 175.931 174.900 -0.147 0.000 2.020 254 G CA -0.002 45.126 45.100 0.047 0.000 0.814 254 G HN 0.141 nan 8.290 nan 0.000 0.685 255 Y N 1.830 121.986 120.300 -0.240 0.000 2.333 255 Y HA -0.004 4.547 4.550 0.001 0.000 0.290 255 Y C 2.955 178.654 175.900 -0.335 0.000 1.144 255 Y CA 0.977 58.892 58.100 -0.308 0.000 1.228 255 Y CB -0.495 37.721 38.460 -0.407 0.000 0.985 255 Y HN 0.277 nan 8.280 nan 0.000 0.542 256 G N -1.124 107.476 108.800 -0.334 0.000 2.418 256 G HA2 -0.254 3.706 3.960 0.001 0.000 0.217 256 G HA3 -0.254 3.706 3.960 0.001 0.000 0.217 256 G C 1.938 176.655 174.900 -0.305 0.000 1.158 256 G CA 1.232 45.749 45.100 -0.972 0.000 0.771 256 G HN 0.367 nan 8.290 nan 0.000 0.545 257 S N 0.940 116.578 115.700 -0.105 0.000 2.359 257 S HA -0.137 4.333 4.470 0.001 0.000 0.224 257 S C 2.767 177.329 174.600 -0.063 0.000 1.035 257 S CA 1.545 59.723 58.200 -0.037 0.000 1.018 257 S CB -0.341 62.850 63.200 -0.015 0.000 0.876 257 S HN 0.401 nan 8.310 nan 0.000 0.448 258 S N 1.097 116.750 115.700 -0.079 0.000 2.370 258 S HA -0.077 4.394 4.470 0.001 0.000 0.226 258 S C 2.027 176.511 174.600 -0.194 0.000 1.033 258 S CA 1.131 59.285 58.200 -0.077 0.000 1.011 258 S CB -0.461 62.688 63.200 -0.085 0.000 0.852 258 S HN 0.324 nan 8.310 nan 0.000 0.457 259 V N 1.782 121.549 119.914 -0.245 0.000 2.343 259 V HA -0.134 3.987 4.120 0.001 0.000 0.247 259 V C 2.237 178.356 176.094 0.043 0.000 1.051 259 V CA 1.499 63.708 62.300 -0.151 0.000 1.036 259 V CB -0.649 31.092 31.823 -0.136 0.000 0.654 259 V HN 0.356 nan 8.190 nan 0.000 0.451 260 L N 0.475 121.726 121.223 0.046 0.000 2.017 260 L HA -0.165 4.175 4.340 0.001 0.000 0.208 260 L C 2.473 179.393 176.870 0.084 0.000 1.073 260 L CA 2.458 57.365 54.840 0.111 0.000 0.745 260 L CB -0.796 41.191 42.059 -0.121 0.000 0.894 260 L HN 0.506 nan 8.230 nan 0.000 0.432 261 E N -1.239 118.984 120.200 0.038 0.000 2.038 261 E HA -0.241 4.110 4.350 0.001 0.000 0.195 261 E C 1.881 178.567 176.600 0.144 0.000 1.000 261 E CA 2.087 58.535 56.400 0.080 0.000 0.803 261 E CB -0.221 29.529 29.700 0.084 0.000 0.750 261 E HN 0.549 nan 8.360 nan 0.000 0.448 262 T N 0.124 114.754 114.554 0.128 0.000 2.708 262 T HA -0.137 4.214 4.350 0.001 0.000 0.266 262 T C 1.920 176.724 174.700 0.174 0.000 1.037 262 T CA 1.827 64.024 62.100 0.161 0.000 1.146 262 T CB -0.531 68.368 68.868 0.052 0.000 0.865 262 T HN 0.258 nan 8.240 nan 0.000 0.435 263 T N 1.853 116.508 114.554 0.168 0.000 2.746 263 T HA 0.008 4.359 4.350 0.001 0.000 0.267 263 T C 2.391 177.245 174.700 0.258 0.000 1.039 263 T CA 1.118 63.342 62.100 0.206 0.000 1.142 263 T CB -0.508 68.543 68.868 0.305 0.000 0.866 263 T HN 0.430 nan 8.240 nan 0.000 0.444 264 A N 2.423 125.404 122.820 0.269 0.000 1.877 264 A HA -0.146 4.174 4.320 0.001 0.000 0.216 264 A C 2.283 180.092 177.584 0.376 0.000 1.186 264 A CA 1.464 53.706 52.037 0.343 0.000 0.620 264 A CB -0.662 18.483 19.000 0.241 0.000 0.822 264 A HN 0.366 nan 8.150 nan 0.000 0.443 265 N N -0.263 118.630 118.700 0.322 0.000 2.104 265 N HA -0.140 4.600 4.740 0.001 0.000 0.190 265 N C 1.569 177.357 175.510 0.465 0.000 1.024 265 N CA 1.522 54.819 53.050 0.412 0.000 0.853 265 N CB -0.503 38.247 38.487 0.439 0.000 1.008 265 N HN 0.397 nan 8.380 nan 0.000 0.424 266 L N 0.811 122.221 121.223 0.310 0.000 2.109 266 L HA 0.107 4.447 4.340 0.001 0.000 0.207 266 L C 2.104 179.031 176.870 0.095 0.000 1.086 266 L CA 1.235 56.178 54.840 0.172 0.000 0.760 266 L CB -0.481 41.631 42.059 0.088 0.000 0.910 266 L HN 0.104 nan 8.230 nan 0.000 0.437 267 M N -2.135 117.533 119.600 0.112 0.000 2.175 267 M HA -0.230 4.250 4.480 0.001 0.000 0.264 267 M C 2.236 178.259 176.300 -0.462 0.000 1.063 267 M CA 1.864 57.140 55.300 -0.040 0.000 1.119 267 M CB -0.477 32.246 32.600 0.205 0.000 1.377 267 M HN 0.381 nan 8.290 nan 0.000 0.415 268 Y N 0.802 120.831 120.300 -0.452 0.000 2.242 268 Y HA -0.246 4.304 4.550 0.001 0.000 0.291 268 Y C 2.083 177.877 175.900 -0.178 0.000 1.137 268 Y CA 1.216 59.010 58.100 -0.509 0.000 1.181 268 Y CB -0.010 38.473 38.460 0.039 0.000 0.989 268 Y HN 0.107 nan 8.280 nan 0.000 0.527 269 L N 0.498 121.614 121.223 -0.179 0.000 1.994 269 L HA -0.200 4.140 4.340 0.001 0.000 0.208 269 L C 2.016 178.768 176.870 -0.197 0.000 1.071 269 L CA 1.888 56.633 54.840 -0.160 0.000 0.745 269 L CB -0.759 41.363 42.059 0.104 0.000 0.892 269 L HN 0.353 nan 8.230 nan 0.000 0.431 270 L N -1.018 120.125 121.223 -0.133 0.000 2.217 270 L HA -0.039 4.302 4.340 0.001 0.000 0.211 270 L C 1.449 178.254 176.870 -0.108 0.000 1.107 270 L CA 0.394 55.198 54.840 -0.060 0.000 0.783 270 L CB -0.770 41.291 42.059 0.004 0.000 0.919 270 L HN 0.237 nan 8.230 nan 0.000 0.442 271 S N 0.553 116.105 115.700 -0.247 0.000 2.626 271 S HA 0.181 4.652 4.470 0.001 0.000 0.303 271 S C 1.254 175.781 174.600 -0.122 0.000 1.256 271 S CA 0.636 58.706 58.200 -0.216 0.000 1.069 271 S CB 0.122 63.070 63.200 -0.421 0.000 0.807 271 S HN 0.662 nan 8.310 nan 0.000 0.500 272 G N 2.888 111.659 108.800 -0.049 0.000 2.147 272 G HA2 -0.224 3.736 3.960 0.001 0.000 0.244 272 G HA3 -0.224 3.736 3.960 0.001 0.000 0.244 272 G C 0.090 174.953 174.900 -0.063 0.000 1.005 272 G CA 0.584 45.660 45.100 -0.039 0.000 0.713 272 G HN 1.713 nan 8.290 nan 0.000 0.515 273 S N -2.667 112.991 115.700 -0.071 0.000 2.740 273 S HA 0.728 5.199 4.470 0.001 0.000 0.300 273 S C 1.200 175.679 174.600 -0.203 0.000 1.147 273 S CA 0.739 58.875 58.200 -0.106 0.000 0.871 273 S CB 1.358 64.547 63.200 -0.018 0.000 1.173 273 S HN 0.425 nan 8.310 nan 0.000 0.510 274 T N 0.832 115.118 114.554 -0.446 0.000 2.778 274 T HA -0.067 4.284 4.350 0.001 0.000 0.269 274 T C 0.329 174.590 174.700 -0.732 0.000 1.050 274 T CA 1.548 63.182 62.100 -0.778 0.000 1.137 274 T CB -0.389 67.593 68.868 -1.477 0.000 0.860 274 T HN 0.657 nan 8.240 nan 0.000 0.468 275 W N 2.000 123.243 121.300 -0.095 0.000 3.015 275 W HA 0.519 5.180 4.660 0.001 0.000 0.429 275 W C 0.819 177.305 176.519 -0.055 0.000 0.976 275 W CA -1.117 56.188 57.345 -0.067 0.000 2.086 275 W CB -0.645 28.771 29.460 -0.073 0.000 1.125 275 W HN 0.100 nan 8.180 nan 0.000 0.721 276 S N 0.996 116.729 115.700 0.057 0.000 2.560 276 S HA 0.194 4.665 4.470 0.001 0.000 0.284 276 S C 0.426 175.066 174.600 0.068 0.000 1.327 276 S CA -0.118 58.105 58.200 0.038 0.000 1.055 276 S CB 0.973 64.172 63.200 -0.001 0.000 0.868 276 S HN -0.047 nan 8.310 nan 0.000 0.506 277 V N 4.860 124.825 119.914 0.085 0.000 2.655 277 V HA 0.176 4.297 4.120 0.001 0.000 0.300 277 V C 1.253 177.407 176.094 0.101 0.000 1.044 277 V CA 0.916 63.292 62.300 0.127 0.000 1.095 277 V CB 1.119 33.062 31.823 0.201 0.000 0.952 277 V HN 1.067 nan 8.190 nan 0.000 0.485 278 S N 0.998 116.755 115.700 0.094 0.000 2.687 278 S HA 0.095 4.566 4.470 0.001 0.000 0.247 278 S C 0.379 175.003 174.600 0.041 0.000 1.050 278 S CA -0.366 57.868 58.200 0.056 0.000 1.063 278 S CB 0.063 63.287 63.200 0.041 0.000 1.039 278 S HN 0.732 nan 8.310 nan 0.000 0.580 279 D N 3.661 124.106 120.400 0.075 0.000 2.487 279 D HA 0.164 4.805 4.640 0.001 0.000 0.243 279 D C -1.650 174.601 176.300 -0.082 0.000 1.154 279 D CA -1.249 52.781 54.000 0.050 0.000 0.876 279 D CB 1.413 42.333 40.800 0.199 0.000 1.161 279 D HN 0.049 nan 8.370 nan 0.000 0.478 280 P HA -0.081 nan 4.420 nan 0.000 0.220 280 P C 0.858 178.019 177.300 -0.232 0.000 1.148 280 P CA 0.656 63.688 63.100 -0.114 0.000 0.803 280 P CB 0.267 31.935 31.700 -0.054 0.000 0.782 281 N N 0.069 118.613 118.700 -0.260 0.000 2.453 281 N HA -0.149 4.591 4.740 0.001 0.000 0.183 281 N C 1.700 176.697 175.510 -0.855 0.000 1.041 281 N CA 0.788 53.603 53.050 -0.392 0.000 0.900 281 N CB -0.434 37.936 38.487 -0.196 0.000 0.961 281 N HN 0.478 nan 8.380 nan 0.000 0.443 282 Q N 0.597 119.694 119.800 -1.172 0.000 2.297 282 Q HA -0.108 4.232 4.340 0.001 0.000 0.208 282 Q C 1.553 176.706 176.000 -1.411 0.000 0.981 282 Q CA 1.657 56.407 55.803 -1.755 0.000 0.876 282 Q CB -0.362 27.678 28.738 -1.162 0.000 0.921 282 Q HN 0.300 nan 8.270 nan 0.000 0.446 283 S N 0.078 115.201 115.700 -0.962 0.000 2.474 283 S HA -0.092 4.379 4.470 0.001 0.000 0.235 283 S C 1.255 175.303 174.600 -0.919 0.000 0.997 283 S CA 0.921 58.553 58.200 -0.945 0.000 0.949 283 S CB -0.425 62.611 63.200 -0.274 0.000 0.766 283 S HN 0.558 nan 8.310 nan 0.000 0.517 284 N N 0.997 119.170 118.700 -0.877 0.000 2.381 284 N HA -0.001 4.739 4.740 0.001 0.000 0.182 284 N C 1.355 176.132 175.510 -1.221 0.000 1.025 284 N CA 0.877 53.476 53.050 -0.751 0.000 0.888 284 N CB -0.246 37.766 38.487 -0.792 0.000 0.965 284 N HN 0.226 nan 8.380 nan 0.000 0.438 285 V N 0.402 119.287 119.914 -1.715 0.000 2.407 285 V HA -0.230 3.891 4.120 0.001 0.000 0.248 285 V C 1.579 177.139 176.094 -0.891 0.000 1.055 285 V CA 1.587 62.711 62.300 -1.960 0.000 1.049 285 V CB -0.641 30.196 31.823 -1.643 0.000 0.662 285 V HN 0.475 nan 8.190 nan 0.000 0.455 286 W N -0.703 120.304 121.300 -0.489 0.000 2.358 286 W HA -0.174 4.486 4.660 0.001 0.000 0.303 286 W C 2.646 179.089 176.519 -0.127 0.000 1.208 286 W CA 0.277 57.467 57.345 -0.258 0.000 1.274 286 W CB -0.458 28.641 29.460 -0.601 0.000 1.138 286 W HN 0.150 nan 8.180 nan 0.000 0.515 287 Q N -0.287 119.608 119.800 0.159 0.000 2.167 287 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 287 Q C 1.836 178.058 176.000 0.370 0.000 0.970 287 Q CA 1.228 57.250 55.803 0.365 0.000 0.855 287 Q CB -0.895 28.053 28.738 0.350 0.000 0.911 287 Q HN 0.457 nan 8.270 nan 0.000 0.438 288 W N 1.015 122.316 121.300 0.003 0.000 2.318 288 W HA -0.160 4.501 4.660 0.001 0.000 0.313 288 W C 2.043 178.646 176.519 0.141 0.000 1.221 288 W CA 0.309 57.630 57.345 -0.039 0.000 1.266 288 W CB -0.969 28.319 29.460 -0.288 0.000 1.150 288 W HN 0.110 nan 8.180 nan 0.000 0.496 289 I N -1.087 119.619 120.570 0.227 0.000 2.286 289 I HA -0.294 3.876 4.170 0.001 0.000 0.248 289 I C 2.050 178.200 176.117 0.056 0.000 1.115 289 I CA 1.472 62.778 61.300 0.009 0.000 1.392 289 I CB -1.748 35.944 38.000 -0.513 0.000 1.065 289 I HN 0.083 nan 8.210 nan 0.000 0.418 290 Y N 0.952 121.418 120.300 0.277 0.000 2.206 290 Y HA -0.084 4.466 4.550 0.000 0.000 0.292 290 Y C 2.568 178.583 175.900 0.192 0.000 1.123 290 Y CA 0.642 58.877 58.100 0.225 0.000 1.142 290 Y CB -0.024 38.570 38.460 0.224 0.000 1.006 290 Y HN 0.122 nan 8.280 nan 0.000 0.518 291 E N -0.595 119.827 120.200 0.370 0.000 2.340 291 E HA 0.130 4.481 4.350 0.001 0.000 0.198 291 E C 1.993 178.773 176.600 0.299 0.000 0.961 291 E CA 0.764 57.329 56.400 0.275 0.000 0.905 291 E CB 0.036 29.881 29.700 0.241 0.000 0.884 291 E HN 0.383 nan 8.360 nan 0.000 0.491 292 A N -0.078 122.901 122.820 0.264 0.000 1.924 292 A HA 0.050 4.371 4.320 0.001 0.000 0.211 292 A C 1.592 179.053 177.584 -0.205 0.000 1.198 292 A CA 0.582 52.669 52.037 0.082 0.000 0.657 292 A CB -0.253 18.760 19.000 0.022 0.000 0.852 292 A HN 0.132 nan 8.150 nan 0.000 0.454 293 Y N -1.225 119.156 120.300 0.134 0.000 2.351 293 Y HA 0.176 4.726 4.550 0.001 0.000 0.291 293 Y C 2.404 178.329 175.900 0.041 0.000 1.153 293 Y CA 0.782 58.912 58.100 0.049 0.000 1.193 293 Y CB -0.368 38.095 38.460 0.006 0.000 1.187 293 Y HN 0.156 nan 8.280 nan 0.000 0.524 294 R N 0.624 121.255 120.500 0.218 0.000 2.133 294 R HA -0.204 4.136 4.340 0.001 0.000 0.245 294 R C -0.964 175.403 176.300 0.111 0.000 1.137 294 R CA 2.516 58.702 56.100 0.144 0.000 0.947 294 R CB -1.381 29.019 30.300 0.166 0.000 0.865 294 R HN 0.219 nan 8.270 nan 0.000 0.437 295 P HA -0.111 nan 4.420 nan 0.000 0.222 295 P C 0.479 177.822 177.300 0.071 0.000 1.147 295 P CA 1.205 64.374 63.100 0.115 0.000 0.790 295 P CB 0.096 31.905 31.700 0.182 0.000 0.780 296 L N -2.038 119.204 121.223 0.031 0.000 2.700 296 L HA 0.181 4.522 4.340 0.001 0.000 0.234 296 L C 0.566 177.383 176.870 -0.088 0.000 1.156 296 L CA -0.154 54.646 54.840 -0.066 0.000 0.946 296 L CB -0.064 41.907 42.059 -0.146 0.000 1.216 296 L HN -0.050 nan 8.230 nan 0.000 0.493 297 L N -0.453 120.751 121.223 -0.031 0.000 2.317 297 L HA 0.337 4.678 4.340 0.001 0.000 0.281 297 L C -1.207 175.646 176.870 -0.028 0.000 1.024 297 L CA -0.554 54.258 54.840 -0.047 0.000 0.810 297 L CB 1.674 43.726 42.059 -0.012 0.000 1.240 297 L HN -0.048 nan 8.230 nan 0.000 0.427 298 Y N 3.942 124.113 120.300 -0.215 0.000 2.373 298 Y HA 0.213 4.763 4.550 0.001 0.000 0.327 298 Y C -0.130 175.725 175.900 -0.075 0.000 1.036 298 Y CA -1.012 56.988 58.100 -0.166 0.000 1.265 298 Y CB 0.626 38.911 38.460 -0.292 0.000 1.108 298 Y HN 0.533 nan 8.280 nan 0.000 0.471 299 K N 4.329 124.485 120.400 -0.407 0.000 3.077 299 K HA -0.265 4.055 4.320 0.001 0.000 0.264 299 K C 0.900 177.535 176.600 0.059 0.000 1.008 299 K CA 1.103 57.276 56.287 -0.190 0.000 0.740 299 K CB -1.625 30.745 32.500 -0.217 0.000 1.273 299 K HN 1.276 nan 8.250 nan 0.000 0.477 300 G N -1.589 107.212 108.800 0.001 0.000 2.232 300 G HA2 -0.240 3.721 3.960 0.001 0.000 0.226 300 G HA3 -0.240 3.721 3.960 0.001 0.000 0.226 300 G C 0.133 174.888 174.900 -0.242 0.000 0.996 300 G CA 0.135 45.287 45.100 0.087 0.000 0.626 300 G HN 0.898 nan 8.290 nan 0.000 0.509 301 A N 0.117 122.641 122.820 -0.493 0.000 2.306 301 A HA 0.851 5.171 4.320 0.001 0.000 0.314 301 A C -0.041 177.392 177.584 -0.252 0.000 1.164 301 A CA 0.104 51.814 52.037 -0.545 0.000 0.822 301 A CB 1.031 19.686 19.000 -0.575 0.000 1.130 301 A HN 1.080 nan 8.150 nan 0.000 0.496 302 M N 3.498 122.991 119.600 -0.179 0.000 2.080 302 M HA 0.427 4.907 4.480 0.001 0.000 0.350 302 M C -0.288 175.922 176.300 -0.149 0.000 1.173 302 M CA -0.346 54.880 55.300 -0.124 0.000 1.052 302 M CB 0.120 32.683 32.600 -0.062 0.000 1.577 302 M HN 0.711 nan 8.290 nan 0.000 0.455 303 M N 4.470 123.941 119.600 -0.214 0.000 2.336 303 M HA -0.085 4.396 4.480 0.001 0.000 0.371 303 M C 0.583 176.757 176.300 -0.210 0.000 1.542 303 M CA 0.253 55.419 55.300 -0.224 0.000 0.959 303 M CB 0.138 32.572 32.600 -0.277 0.000 2.033 303 M HN 0.634 nan 8.290 nan 0.000 0.472 304 D N 3.327 123.604 120.400 -0.205 0.000 2.221 304 D HA -0.184 4.456 4.640 0.001 0.000 0.204 304 D C 1.875 177.952 176.300 -0.372 0.000 0.982 304 D CA 1.537 55.399 54.000 -0.231 0.000 0.857 304 D CB -0.150 40.612 40.800 -0.064 0.000 0.934 304 D HN 0.737 nan 8.370 nan 0.000 0.475 305 M N -0.383 118.895 119.600 -0.536 0.000 2.435 305 M HA -0.090 4.390 4.480 0.001 0.000 0.262 305 M C 1.414 177.538 176.300 -0.293 0.000 1.065 305 M CA 1.196 56.225 55.300 -0.451 0.000 1.076 305 M CB -0.115 32.214 32.600 -0.452 0.000 1.403 305 M HN -0.052 nan 8.290 nan 0.000 0.454 306 V N -3.041 116.706 119.914 -0.278 0.000 3.085 306 V HA 0.363 4.483 4.120 0.001 0.000 0.345 306 V C 1.180 177.150 176.094 -0.207 0.000 1.397 306 V CA -0.443 61.712 62.300 -0.242 0.000 1.165 306 V CB -0.573 31.105 31.823 -0.242 0.000 1.153 306 V HN 0.450 nan 8.190 nan 0.000 0.495 307 R N 1.023 121.379 120.500 -0.240 0.000 2.362 307 R HA 0.458 4.798 4.340 0.001 0.000 0.227 307 R C 1.573 177.721 176.300 -0.252 0.000 0.905 307 R CA 0.473 56.472 56.100 -0.169 0.000 1.067 307 R CB 0.698 30.901 30.300 -0.161 0.000 1.078 307 R HN 0.717 nan 8.270 nan 0.000 0.516 308 G N 2.881 111.364 108.800 -0.527 0.000 2.611 308 G HA2 -0.450 3.510 3.960 0.001 0.000 0.301 308 G HA3 -0.450 3.510 3.960 0.001 0.000 0.301 308 G C 0.651 175.342 174.900 -0.349 0.000 1.233 308 G CA 0.756 45.446 45.100 -0.683 0.000 0.993 308 G HN 0.506 nan 8.290 nan 0.000 0.553 309 R N 1.139 121.514 120.500 -0.209 0.000 2.316 309 R HA 0.197 4.538 4.340 0.001 0.000 0.202 309 R C 1.891 178.071 176.300 -0.199 0.000 1.029 309 R CA 1.732 57.719 56.100 -0.187 0.000 1.018 309 R CB -0.238 29.981 30.300 -0.134 0.000 0.888 309 R HN 0.670 nan 8.270 nan 0.000 0.471 310 E N 1.581 121.671 120.200 -0.184 0.000 2.409 310 E HA -0.100 4.250 4.350 0.001 0.000 0.198 310 E C 1.808 178.263 176.600 -0.243 0.000 1.024 310 E CA 0.986 57.255 56.400 -0.218 0.000 0.861 310 E CB -0.131 29.452 29.700 -0.194 0.000 0.788 310 E HN 0.656 nan 8.360 nan 0.000 0.521 311 I N -0.918 119.464 120.570 -0.314 0.000 2.700 311 I HA -0.146 4.025 4.170 0.001 0.000 0.261 311 I C 2.059 178.039 176.117 -0.229 0.000 1.219 311 I CA 1.134 62.181 61.300 -0.422 0.000 1.463 311 I CB -0.278 37.133 38.000 -0.981 0.000 1.092 311 I HN -0.064 nan 8.210 nan 0.000 0.452 312 S N 0.649 116.259 115.700 -0.151 0.000 2.631 312 S HA 0.204 4.674 4.470 0.001 0.000 0.217 312 S C 0.776 175.488 174.600 0.187 0.000 0.958 312 S CA -0.572 57.680 58.200 0.086 0.000 0.920 312 S CB -0.304 62.872 63.200 -0.039 0.000 0.776 312 S HN 0.489 nan 8.310 nan 0.000 0.517 313 R N 1.882 122.314 120.500 -0.114 0.000 2.207 313 R HA 0.331 4.672 4.340 0.001 0.000 0.334 313 R C 1.279 177.066 176.300 -0.856 0.000 1.013 313 R CA 0.286 56.069 56.100 -0.529 0.000 0.858 313 R CB 1.171 30.935 30.300 -0.892 0.000 1.094 313 R HN 0.462 nan 8.270 nan 0.000 0.457 314 S N 2.629 117.583 115.700 -1.243 0.000 2.399 314 S HA -0.233 4.238 4.470 0.001 0.000 0.231 314 S C 1.680 175.850 174.600 -0.717 0.000 1.022 314 S CA 1.030 58.204 58.200 -1.710 0.000 0.983 314 S CB -0.383 61.740 63.200 -1.794 0.000 0.803 314 S HN 0.800 nan 8.310 nan 0.000 0.480 315 Y N 0.746 120.796 120.300 -0.417 0.000 2.546 315 Y HA 0.690 5.241 4.550 0.001 0.000 0.287 315 Y C 1.074 176.886 175.900 -0.148 0.000 1.158 315 Y CA -0.440 57.522 58.100 -0.229 0.000 1.307 315 Y CB -0.382 37.972 38.460 -0.178 0.000 1.036 315 Y HN 0.337 nan 8.280 nan 0.000 0.532 316 A N 1.034 123.568 122.820 -0.476 0.000 3.214 316 A HA 0.331 4.652 4.320 0.001 0.000 0.304 316 A C -0.285 177.217 177.584 -0.137 0.000 0.969 316 A CA -0.669 51.210 52.037 -0.264 0.000 0.986 316 A CB -0.246 18.538 19.000 -0.361 0.000 1.073 316 A HN 0.432 nan 8.150 nan 0.000 0.487 317 Q N 0.493 120.280 119.800 -0.022 0.000 2.318 317 Q HA 0.143 4.484 4.340 0.001 0.000 0.222 317 Q C 0.741 176.805 176.000 0.107 0.000 1.003 317 Q CA -0.085 55.797 55.803 0.132 0.000 0.936 317 Q CB 0.889 29.772 28.738 0.242 0.000 1.204 317 Q HN 0.677 nan 8.270 nan 0.000 0.524 318 D N 0.132 120.622 120.400 0.149 0.000 2.157 318 D HA -0.300 4.341 4.640 0.001 0.000 0.191 318 D C 1.250 177.513 176.300 -0.062 0.000 1.004 318 D CA 2.009 56.037 54.000 0.047 0.000 0.854 318 D CB -0.419 40.429 40.800 0.079 0.000 0.936 318 D HN 0.559 nan 8.370 nan 0.000 0.446 319 H N 0.333 119.392 119.070 -0.019 0.000 2.395 319 H HA 0.164 4.720 4.556 0.001 0.000 0.299 319 H C 2.286 177.350 175.328 -0.440 0.000 1.070 319 H CA 1.234 57.188 56.048 -0.157 0.000 1.356 319 H CB -0.057 29.725 29.762 0.033 0.000 1.401 319 H HN 0.346 nan 8.280 nan 0.000 0.524 320 A N 0.785 123.546 122.820 -0.098 0.000 1.877 320 A HA -0.129 4.191 4.320 0.001 0.000 0.216 320 A C 2.786 180.328 177.584 -0.070 0.000 1.186 320 A CA 1.646 53.624 52.037 -0.097 0.000 0.620 320 A CB -0.879 18.131 19.000 0.017 0.000 0.822 320 A HN 0.191 nan 8.150 nan 0.000 0.443 321 V N -0.028 119.856 119.914 -0.050 0.000 2.343 321 V HA -0.175 3.946 4.120 0.001 0.000 0.247 321 V C 2.834 178.918 176.094 -0.017 0.000 1.051 321 V CA 1.914 64.197 62.300 -0.028 0.000 1.036 321 V CB -1.552 30.249 31.823 -0.038 0.000 0.654 321 V HN 0.620 nan 8.190 nan 0.000 0.451 322 G N -0.762 108.001 108.800 -0.062 0.000 2.446 322 G HA2 -0.299 3.662 3.960 0.001 0.000 0.217 322 G HA3 -0.299 3.662 3.960 0.001 0.000 0.217 322 G C 1.350 176.339 174.900 0.148 0.000 1.168 322 G CA 1.133 46.226 45.100 -0.011 0.000 0.771 322 G HN 0.572 nan 8.290 nan 0.000 0.551 323 H N 0.708 119.855 119.070 0.129 0.000 2.352 323 H HA -0.067 4.490 4.556 0.001 0.000 0.299 323 H C 2.832 178.236 175.328 0.127 0.000 1.097 323 H CA 1.008 57.173 56.048 0.195 0.000 1.311 323 H CB -0.994 28.788 29.762 0.032 0.000 1.377 323 H HN 0.347 nan 8.280 nan 0.000 0.504 324 G N 0.482 109.377 108.800 0.159 0.000 2.418 324 G HA2 -0.193 3.767 3.960 0.001 0.000 0.217 324 G HA3 -0.193 3.767 3.960 0.001 0.000 0.217 324 G C 1.913 176.845 174.900 0.054 0.000 1.158 324 G CA 0.854 46.001 45.100 0.080 0.000 0.771 324 G HN 0.368 nan 8.290 nan 0.000 0.545 325 I N 0.328 120.915 120.570 0.029 0.000 2.252 325 I HA -0.134 4.036 4.170 0.001 0.000 0.245 325 I C 2.715 178.798 176.117 -0.056 0.000 1.102 325 I CA 0.457 61.712 61.300 -0.074 0.000 1.385 325 I CB -0.127 37.820 38.000 -0.088 0.000 1.064 325 I HN 0.023 nan 8.210 nan 0.000 0.414 326 V N 0.998 120.951 119.914 0.064 0.000 2.515 326 V HA -0.251 3.869 4.120 0.001 0.000 0.250 326 V C 2.689 178.845 176.094 0.102 0.000 1.058 326 V CA 1.757 64.081 62.300 0.040 0.000 1.064 326 V CB -0.976 30.866 31.823 0.033 0.000 0.675 326 V HN 0.477 nan 8.190 nan 0.000 0.461 327 A N -0.286 122.679 122.820 0.242 0.000 1.933 327 A HA -0.208 4.113 4.320 0.001 0.000 0.218 327 A C 2.491 180.112 177.584 0.061 0.000 1.175 327 A CA 2.272 54.432 52.037 0.205 0.000 0.628 327 A CB -0.625 18.446 19.000 0.118 0.000 0.814 327 A HN 0.506 nan 8.150 nan 0.000 0.444 328 S N -0.310 115.391 115.700 0.002 0.000 2.383 328 S HA -0.052 4.419 4.470 0.001 0.000 0.227 328 S C 1.769 176.315 174.600 -0.091 0.000 1.026 328 S CA 1.262 59.440 58.200 -0.037 0.000 0.981 328 S CB -0.436 62.715 63.200 -0.082 0.000 0.818 328 S HN 0.553 nan 8.310 nan 0.000 0.472 329 I N 1.082 121.554 120.570 -0.162 0.000 2.226 329 I HA -0.136 4.034 4.170 0.001 0.000 0.245 329 I C 2.112 178.148 176.117 -0.135 0.000 1.100 329 I CA 0.876 62.012 61.300 -0.272 0.000 1.374 329 I CB -0.438 37.378 38.000 -0.307 0.000 1.057 329 I HN 0.147 nan 8.210 nan 0.000 0.413 330 V N 0.896 120.774 119.914 -0.059 0.000 2.407 330 V HA -0.273 3.848 4.120 0.001 0.000 0.248 330 V C 2.631 178.717 176.094 -0.013 0.000 1.055 330 V CA 1.858 64.149 62.300 -0.016 0.000 1.049 330 V CB -0.735 31.104 31.823 0.025 0.000 0.662 330 V HN 0.385 nan 8.190 nan 0.000 0.455 331 R N 0.661 121.152 120.500 -0.015 0.000 2.070 331 R HA -0.108 4.233 4.340 0.001 0.000 0.233 331 R C 2.067 178.406 176.300 0.066 0.000 1.137 331 R CA 1.835 57.923 56.100 -0.019 0.000 0.945 331 R CB -0.952 29.359 30.300 0.019 0.000 0.845 331 R HN 0.475 nan 8.270 nan 0.000 0.430 332 L N 0.078 121.333 121.223 0.053 0.000 2.127 332 L HA -0.111 4.230 4.340 0.001 0.000 0.211 332 L C 2.388 179.180 176.870 -0.130 0.000 1.089 332 L CA 1.329 56.141 54.840 -0.046 0.000 0.757 332 L CB -0.657 41.413 42.059 0.018 0.000 0.899 332 L HN 0.335 nan 8.230 nan 0.000 0.434 333 A N -0.794 122.051 122.820 0.041 0.000 2.125 333 A HA -0.177 4.144 4.320 0.001 0.000 0.219 333 A C 2.187 179.753 177.584 -0.030 0.000 1.156 333 A CA 1.054 53.108 52.037 0.029 0.000 0.671 333 A CB -0.216 18.823 19.000 0.067 0.000 0.794 333 A HN 0.407 nan 8.150 nan 0.000 0.459 334 Q N -1.175 118.640 119.800 0.025 0.000 2.172 334 Q HA -0.054 4.286 4.340 0.001 0.000 0.200 334 Q C 1.326 177.486 176.000 0.266 0.000 0.964 334 Q CA 1.555 57.438 55.803 0.134 0.000 0.855 334 Q CB -0.295 28.520 28.738 0.129 0.000 0.918 334 Q HN 1.002 nan 8.270 nan 0.000 0.444 335 F N -2.539 117.505 119.950 0.158 0.000 2.856 335 F HA 0.651 5.178 4.527 0.000 0.000 0.338 335 F C 0.360 176.205 175.800 0.075 0.000 1.100 335 F CA -0.881 57.212 58.000 0.155 0.000 1.150 335 F CB -0.115 39.039 39.000 0.258 0.000 1.101 335 F HN -0.183 nan 8.300 nan 0.000 0.548 336 A N 3.746 126.210 122.820 -0.594 0.000 2.462 336 A HA 0.493 4.814 4.320 0.001 0.000 0.243 336 A C -2.187 175.109 177.584 -0.480 0.000 1.076 336 A CA -1.157 50.428 52.037 -0.755 0.000 0.773 336 A CB -0.495 17.908 19.000 -0.996 0.000 1.010 336 A HN 0.250 nan 8.150 nan 0.000 0.493 337 P HA 0.369 nan 4.420 nan 0.000 0.277 337 P C -0.177 176.914 177.300 -0.347 0.000 1.240 337 P CA -0.068 62.877 63.100 -0.258 0.000 0.798 337 P CB 1.046 32.676 31.700 -0.117 0.000 0.979 338 A N 4.061 126.724 122.820 -0.262 0.000 2.425 338 A HA 0.297 4.618 4.320 0.001 0.000 0.242 338 A C -0.866 176.493 177.584 -0.375 0.000 1.077 338 A CA -0.859 50.996 52.037 -0.304 0.000 0.781 338 A CB -0.945 17.931 19.000 -0.206 0.000 1.020 338 A HN 0.516 nan 8.150 nan 0.000 0.494 339 P HA -0.087 nan 4.420 nan 0.000 0.236 339 P C 0.712 177.698 177.300 -0.524 0.000 1.177 339 P CA 0.811 63.650 63.100 -0.435 0.000 0.773 339 P CB -0.061 31.411 31.700 -0.381 0.000 0.878 340 H N 1.468 120.211 119.070 -0.546 0.000 2.289 340 H HA -0.148 4.408 4.556 0.001 0.000 0.294 340 H C 2.152 176.748 175.328 -1.220 0.000 1.095 340 H CA 1.945 57.407 56.048 -0.976 0.000 1.256 340 H CB -1.182 27.741 29.762 -1.399 0.000 1.359 340 H HN 0.146 nan 8.280 nan 0.000 0.487 341 A N 1.447 123.809 122.820 -0.763 0.000 1.884 341 A HA -0.217 4.104 4.320 0.001 0.000 0.219 341 A C 2.793 180.199 177.584 -0.297 0.000 1.197 341 A CA 2.656 54.389 52.037 -0.507 0.000 0.637 341 A CB -1.137 17.667 19.000 -0.327 0.000 0.827 341 A HN 0.499 nan 8.150 nan 0.000 0.450 342 A N -0.518 122.151 122.820 -0.251 0.000 1.902 342 A HA 0.157 4.478 4.320 0.001 0.000 0.217 342 A C 2.528 180.061 177.584 -0.085 0.000 1.181 342 A CA 2.267 54.219 52.037 -0.141 0.000 0.623 342 A CB -1.064 17.855 19.000 -0.135 0.000 0.818 342 A HN 1.193 nan 8.150 nan 0.000 0.443 343 A N -0.958 121.794 122.820 -0.113 0.000 1.933 343 A HA -0.039 4.281 4.320 0.001 0.000 0.218 343 A C 2.090 179.800 177.584 0.211 0.000 1.175 343 A CA 1.311 53.376 52.037 0.046 0.000 0.628 343 A CB -0.810 18.261 19.000 0.119 0.000 0.814 343 A HN 0.580 nan 8.150 nan 0.000 0.444 344 F N 0.055 119.988 119.950 -0.028 0.000 2.134 344 F HA -0.206 4.322 4.527 0.001 0.000 0.299 344 F C 2.475 178.232 175.800 -0.072 0.000 1.097 344 F CA 1.266 59.222 58.000 -0.072 0.000 1.264 344 F CB -0.167 38.754 39.000 -0.132 0.000 1.001 344 F HN 0.198 nan 8.300 nan 0.000 0.479 345 K N 0.370 120.844 120.400 0.124 0.000 2.063 345 K HA -0.225 4.096 4.320 0.001 0.000 0.208 345 K C 1.934 178.541 176.600 0.012 0.000 1.048 345 K CA 1.487 57.795 56.287 0.034 0.000 0.928 345 K CB -0.342 32.159 32.500 0.002 0.000 0.713 345 K HN 0.381 nan 8.250 nan 0.000 0.442 346 Q N 0.492 120.308 119.800 0.026 0.000 2.084 346 Q HA -0.121 4.220 4.340 0.001 0.000 0.202 346 Q C 2.175 178.180 176.000 0.008 0.000 0.978 346 Q CA 1.260 57.071 55.803 0.012 0.000 0.844 346 Q CB -0.115 28.636 28.738 0.021 0.000 0.898 346 Q HN 0.358 nan 8.270 nan 0.000 0.426 347 I N 0.422 121.016 120.570 0.040 0.000 2.202 347 I HA -0.250 3.920 4.170 0.001 0.000 0.242 347 I C 2.440 178.524 176.117 -0.054 0.000 1.091 347 I CA 0.903 62.213 61.300 0.016 0.000 1.368 347 I CB -0.451 37.582 38.000 0.055 0.000 1.058 347 I HN 0.148 nan 8.210 nan 0.000 0.410 348 A N 0.893 123.667 122.820 -0.078 0.000 1.902 348 A HA -0.267 4.053 4.320 0.001 0.000 0.217 348 A C 2.385 179.844 177.584 -0.208 0.000 1.181 348 A CA 1.985 53.917 52.037 -0.174 0.000 0.623 348 A CB -0.558 18.340 19.000 -0.170 0.000 0.818 348 A HN 0.340 nan 8.150 nan 0.000 0.443 349 K N -0.591 119.731 120.400 -0.130 0.000 2.063 349 K HA -0.192 4.128 4.320 0.001 0.000 0.208 349 K C 2.397 178.931 176.600 -0.110 0.000 1.048 349 K CA 1.460 57.678 56.287 -0.115 0.000 0.928 349 K CB -0.188 32.276 32.500 -0.060 0.000 0.713 349 K HN 0.383 nan 8.250 nan 0.000 0.442 350 R N 0.627 121.076 120.500 -0.086 0.000 2.070 350 R HA -0.111 4.229 4.340 0.001 0.000 0.233 350 R C 2.058 178.301 176.300 -0.095 0.000 1.137 350 R CA 1.774 57.831 56.100 -0.072 0.000 0.945 350 R CB -0.573 29.696 30.300 -0.051 0.000 0.845 350 R HN 0.133 nan 8.270 nan 0.000 0.430 351 V N 1.711 121.555 119.914 -0.118 0.000 2.332 351 V HA -0.261 3.860 4.120 0.001 0.000 0.248 351 V C 2.489 178.494 176.094 -0.149 0.000 1.055 351 V CA 1.871 64.100 62.300 -0.118 0.000 1.038 351 V CB -0.413 31.341 31.823 -0.115 0.000 0.651 351 V HN 0.319 nan 8.190 nan 0.000 0.450 352 I N -0.266 120.138 120.570 -0.278 0.000 2.286 352 I HA -0.294 3.877 4.170 0.001 0.000 0.248 352 I C 2.584 178.603 176.117 -0.163 0.000 1.115 352 I CA 1.571 62.660 61.300 -0.352 0.000 1.392 352 I CB -0.367 37.314 38.000 -0.532 0.000 1.065 352 I HN 0.411 nan 8.210 nan 0.000 0.418 353 Q N 0.171 119.907 119.800 -0.107 0.000 2.269 353 Q HA -0.125 4.215 4.340 0.001 0.000 0.201 353 Q C 1.899 177.887 176.000 -0.020 0.000 0.946 353 Q CA 0.819 56.594 55.803 -0.045 0.000 0.877 353 Q CB 0.020 28.738 28.738 -0.034 0.000 0.963 353 Q HN 0.543 nan 8.270 nan 0.000 0.472 354 E N 0.993 121.176 120.200 -0.030 0.000 2.107 354 E HA -0.104 4.246 4.350 0.001 0.000 0.191 354 E C 0.270 176.898 176.600 0.047 0.000 0.982 354 E CA 0.329 56.721 56.400 -0.013 0.000 0.809 354 E CB 0.196 29.859 29.700 -0.061 0.000 0.756 354 E HN 0.122 nan 8.360 nan 0.000 0.459 355 D N 0.821 121.274 120.400 0.088 0.000 2.416 355 D HA -0.022 4.619 4.640 0.001 0.000 0.240 355 D C 0.329 176.722 176.300 0.156 0.000 1.250 355 D CA 0.193 54.315 54.000 0.203 0.000 0.967 355 D CB 0.559 41.567 40.800 0.346 0.000 1.059 355 D HN 0.042 nan 8.370 nan 0.000 0.512 356 T N 0.158 114.797 114.554 0.143 0.000 3.122 356 T HA 0.007 4.357 4.350 0.001 0.000 0.250 356 T C 1.486 176.251 174.700 0.108 0.000 1.067 356 T CA -0.397 61.764 62.100 0.101 0.000 0.966 356 T CB -0.279 68.640 68.868 0.085 0.000 1.002 356 T HN 0.280 nan 8.240 nan 0.000 0.542 357 F N 2.331 122.266 119.950 -0.023 0.000 2.188 357 F HA 0.442 4.970 4.527 0.001 0.000 0.289 357 F C 0.705 176.469 175.800 -0.060 0.000 1.082 357 F CA 0.286 58.224 58.000 -0.103 0.000 1.282 357 F CB -0.030 38.767 39.000 -0.338 0.000 1.060 357 F HN 0.198 nan 8.300 nan 0.000 0.493 358 S N 0.208 115.786 115.700 -0.204 0.000 2.672 358 S HA 0.392 4.862 4.470 0.001 0.000 0.291 358 S C -0.701 173.966 174.600 0.111 0.000 1.145 358 S CA -0.665 57.425 58.200 -0.183 0.000 1.013 358 S CB 0.922 64.068 63.200 -0.091 0.000 1.017 358 S HN 0.357 nan 8.310 nan 0.000 0.487 359 S N 4.028 119.728 115.700 0.000 0.000 2.544 359 S HA 0.103 4.574 4.470 0.001 0.000 0.290 359 S C 0.983 175.468 174.600 -0.193 0.000 1.276 359 S CA -0.258 57.923 58.200 -0.030 0.000 1.075 359 S CB -0.381 62.830 63.200 0.018 0.000 0.849 359 S HN 0.758 nan 8.310 nan 0.000 0.494 360 F N 6.409 126.001 119.950 -0.596 0.000 2.126 360 F HA -0.128 4.399 4.527 0.000 0.000 0.299 360 F C 1.130 176.596 175.800 -0.557 0.000 1.096 360 F CA 1.604 59.017 58.000 -0.979 0.000 1.255 360 F CB -0.401 38.081 39.000 -0.863 0.000 0.997 360 F HN 0.815 nan 8.300 nan 0.000 0.479 361 Y N 0.509 120.693 120.300 -0.194 0.000 2.497 361 Y HA 0.049 4.599 4.550 0.001 0.000 0.292 361 Y C 2.620 178.387 175.900 -0.222 0.000 1.137 361 Y CA 0.659 58.629 58.100 -0.217 0.000 1.285 361 Y CB -1.492 36.949 38.460 -0.032 0.000 0.991 361 Y HN 0.151 nan 8.280 nan 0.000 0.556 362 G N 0.179 108.937 108.800 -0.070 0.000 2.471 362 G HA2 -0.183 3.777 3.960 0.001 0.000 0.219 362 G HA3 -0.183 3.777 3.960 0.001 0.000 0.219 362 G C 0.290 175.155 174.900 -0.058 0.000 1.125 362 G CA 1.251 46.327 45.100 -0.040 0.000 0.775 362 G HN 0.493 nan 8.290 nan 0.000 0.548 363 D N -0.894 119.438 120.400 -0.113 0.000 2.865 363 D HA 0.216 4.856 4.640 0.001 0.000 0.347 363 D C 0.148 176.371 176.300 -0.127 0.000 1.498 363 D CA -0.442 53.518 54.000 -0.067 0.000 0.787 363 D CB -0.148 40.671 40.800 0.032 0.000 1.190 363 D HN 0.311 nan 8.370 nan 0.000 0.445 364 V N -2.581 117.201 119.914 -0.220 0.000 3.155 364 V HA 0.854 4.974 4.120 0.001 0.000 0.313 364 V C 0.414 176.431 176.094 -0.129 0.000 1.162 364 V CA -0.888 61.279 62.300 -0.222 0.000 1.048 364 V CB 1.288 32.841 31.823 -0.451 0.000 1.092 364 V HN 0.213 nan 8.190 nan 0.000 0.447 365 S N 0.131 115.777 115.700 -0.091 0.000 2.579 365 S HA 0.127 4.598 4.470 0.001 0.000 0.275 365 S C 1.389 175.959 174.600 -0.050 0.000 1.345 365 S CA 0.362 58.524 58.200 -0.064 0.000 1.031 365 S CB 0.770 63.930 63.200 -0.067 0.000 0.892 365 S HN 1.627 nan 8.310 nan 0.000 0.529 366 T N -0.827 113.703 114.554 -0.041 0.000 2.759 366 T HA -0.220 4.131 4.350 0.001 0.000 0.269 366 T C 1.244 175.929 174.700 -0.024 0.000 1.042 366 T CA 1.732 63.814 62.100 -0.031 0.000 1.140 366 T CB -0.848 68.002 68.868 -0.030 0.000 0.864 366 T HN 0.719 nan 8.240 nan 0.000 0.455 367 D N 1.163 121.542 120.400 -0.035 0.000 2.144 367 D HA -0.072 4.569 4.640 0.001 0.000 0.199 367 D C 2.255 178.548 176.300 -0.012 0.000 0.984 367 D CA 1.419 55.399 54.000 -0.033 0.000 0.834 367 D CB -0.583 40.179 40.800 -0.063 0.000 0.955 367 D HN 0.417 nan 8.370 nan 0.000 0.465 368 T N 0.048 114.599 114.554 -0.006 0.000 2.788 368 T HA -0.092 4.259 4.350 0.001 0.000 0.268 368 T C 2.066 176.846 174.700 0.134 0.000 1.044 368 T CA 0.885 63.016 62.100 0.051 0.000 1.139 368 T CB -0.194 68.694 68.868 0.033 0.000 0.867 368 T HN 0.215 nan 8.240 nan 0.000 0.454 369 I N 0.697 121.330 120.570 0.105 0.000 2.179 369 I HA -0.190 3.980 4.170 0.001 0.000 0.242 369 I C 2.802 178.971 176.117 0.086 0.000 1.088 369 I CA 1.331 62.731 61.300 0.167 0.000 1.357 369 I CB -0.422 37.612 38.000 0.056 0.000 1.051 369 I HN 0.143 nan 8.210 nan 0.000 0.409 370 R N 1.508 122.025 120.500 0.027 0.000 2.080 370 R HA -0.188 4.152 4.340 0.001 0.000 0.236 370 R C 2.383 178.699 176.300 0.027 0.000 1.137 370 R CA 1.724 57.826 56.100 0.003 0.000 0.943 370 R CB -0.322 29.974 30.300 -0.007 0.000 0.846 370 R HN 0.292 nan 8.270 nan 0.000 0.431 371 L N 0.165 121.411 121.223 0.039 0.000 2.083 371 L HA -0.136 4.205 4.340 0.001 0.000 0.209 371 L C 2.754 179.665 176.870 0.069 0.000 1.083 371 L CA 1.267 56.130 54.840 0.038 0.000 0.752 371 L CB -0.591 41.477 42.059 0.015 0.000 0.899 371 L HN 0.375 nan 8.230 nan 0.000 0.433 372 A N -0.007 122.899 122.820 0.142 0.000 1.873 372 A HA -0.165 4.156 4.320 0.001 0.000 0.215 372 A C 2.322 180.008 177.584 0.171 0.000 1.186 372 A CA 1.299 53.450 52.037 0.189 0.000 0.616 372 A CB -0.279 18.977 19.000 0.427 0.000 0.823 372 A HN 0.194 nan 8.150 nan 0.000 0.442 373 K N 0.178 120.670 120.400 0.153 0.000 2.063 373 K HA -0.128 4.193 4.320 0.001 0.000 0.208 373 K C 2.153 178.770 176.600 0.029 0.000 1.048 373 K CA 1.385 57.701 56.287 0.049 0.000 0.928 373 K CB -0.931 31.524 32.500 -0.074 0.000 0.713 373 K HN 0.470 nan 8.250 nan 0.000 0.442 374 A N 1.090 123.925 122.820 0.024 0.000 2.024 374 A HA -0.124 4.197 4.320 0.001 0.000 0.220 374 A C 2.210 179.801 177.584 0.012 0.000 1.164 374 A CA 1.222 53.266 52.037 0.012 0.000 0.643 374 A CB -0.489 18.518 19.000 0.012 0.000 0.806 374 A HN 0.230 nan 8.150 nan 0.000 0.451 375 I N -1.206 119.375 120.570 0.020 0.000 2.429 375 I HA -0.100 4.070 4.170 0.001 0.000 0.247 375 I C 2.182 178.302 176.117 0.006 0.000 1.099 375 I CA 0.591 61.894 61.300 0.006 0.000 1.422 375 I CB -0.207 37.789 38.000 -0.006 0.000 1.112 375 I HN 0.099 nan 8.210 nan 0.000 0.430 376 V N 0.814 120.742 119.914 0.024 0.000 2.490 376 V HA -0.252 3.869 4.120 0.001 0.000 0.250 376 V C 1.621 177.727 176.094 0.021 0.000 1.061 376 V CA 1.756 64.073 62.300 0.028 0.000 1.064 376 V CB -0.637 31.236 31.823 0.084 0.000 0.670 376 V HN 0.409 nan 8.190 nan 0.000 0.461 377 D N -0.728 119.682 120.400 0.017 0.000 2.348 377 D HA -0.005 4.635 4.640 0.001 0.000 0.211 377 D C 0.859 177.159 176.300 -0.000 0.000 0.998 377 D CA 0.286 54.290 54.000 0.006 0.000 0.873 377 D CB -0.045 40.754 40.800 -0.003 0.000 0.925 377 D HN 0.378 nan 8.370 nan 0.000 0.524 378 D N 1.976 122.376 120.400 -0.001 0.000 2.344 378 D HA 0.006 4.647 4.640 0.001 0.000 0.253 378 D C -1.310 174.986 176.300 -0.006 0.000 1.255 378 D CA -1.678 52.319 54.000 -0.005 0.000 0.894 378 D CB 1.675 42.471 40.800 -0.006 0.000 1.067 378 D HN 0.023 nan 8.370 nan 0.000 0.492 379 P HA -0.140 nan 4.420 nan 0.000 0.223 379 P C 1.110 178.404 177.300 -0.010 0.000 1.151 379 P CA 0.629 63.725 63.100 -0.007 0.000 0.787 379 P CB 0.149 31.845 31.700 -0.006 0.000 0.788 380 S N -0.917 114.776 115.700 -0.012 0.000 2.555 380 S HA 0.016 4.486 4.470 0.001 0.000 0.230 380 S C 0.974 175.563 174.600 -0.018 0.000 0.978 380 S CA 0.010 58.200 58.200 -0.015 0.000 0.934 380 S CB -0.995 62.195 63.200 -0.017 0.000 0.766 380 S HN 0.084 nan 8.310 nan 0.000 0.533 381 I N 2.243 122.804 120.570 -0.016 0.000 2.328 381 I HA 0.512 4.683 4.170 0.001 0.000 0.287 381 I C 0.283 176.391 176.117 -0.016 0.000 1.012 381 I CA -0.678 60.611 61.300 -0.018 0.000 1.195 381 I CB 1.292 39.281 38.000 -0.018 0.000 1.350 381 I HN 0.214 nan 8.210 nan 0.000 0.464 382 A N 8.428 131.238 122.820 -0.016 0.000 2.304 382 A HA 0.727 5.047 4.320 0.001 0.000 0.301 382 A C -2.518 175.058 177.584 -0.014 0.000 1.132 382 A CA -1.600 50.428 52.037 -0.014 0.000 0.819 382 A CB 0.221 19.213 19.000 -0.013 0.000 1.094 382 A HN 0.385 nan 8.150 nan 0.000 0.492 383 P HA 0.270 nan 4.420 nan 0.000 0.268 383 P C -0.056 177.238 177.300 -0.010 0.000 1.205 383 P CA 0.264 63.353 63.100 -0.018 0.000 0.771 383 P CB 0.656 32.343 31.700 -0.021 0.000 0.858 384 A N 3.030 125.848 122.820 -0.004 0.000 2.406 384 A HA 0.500 4.820 4.320 0.001 0.000 0.243 384 A C 0.510 178.096 177.584 0.002 0.000 1.082 384 A CA 0.029 52.072 52.037 0.010 0.000 0.786 384 A CB -0.326 18.694 19.000 0.034 0.000 1.029 384 A HN 0.595 nan 8.150 nan 0.000 0.495 385 A N 0.311 123.135 122.820 0.006 0.000 2.386 385 A HA 0.563 4.883 4.320 0.001 0.000 0.248 385 A C 0.783 178.368 177.584 0.002 0.000 1.082 385 A CA 0.194 52.231 52.037 0.001 0.000 0.789 385 A CB -0.228 18.772 19.000 0.001 0.000 1.025 385 A HN 2.162 nan 8.150 nan 0.000 0.490 386 A N 2.864 125.680 122.820 -0.006 0.000 2.401 386 A HA 0.573 4.893 4.320 0.001 0.000 0.259 386 A C -1.705 175.880 177.584 0.001 0.000 1.103 386 A CA -1.165 50.866 52.037 -0.011 0.000 0.789 386 A CB -0.507 18.481 19.000 -0.021 0.000 1.035 386 A HN 0.750 nan 8.150 nan 0.000 0.491 387 P HA 0.111 nan 4.420 nan 0.000 0.269 387 P C -0.960 176.341 177.300 0.001 0.000 1.209 387 P CA -0.115 62.994 63.100 0.016 0.000 0.776 387 P CB 0.511 32.232 31.700 0.034 0.000 0.876 388 N N 2.803 121.496 118.700 -0.011 0.000 2.581 388 N HA 0.416 5.156 4.740 0.001 0.000 0.279 388 N C -0.816 174.671 175.510 -0.038 0.000 1.124 388 N CA -0.576 52.455 53.050 -0.032 0.000 0.833 388 N CB 0.392 38.860 38.487 -0.032 0.000 1.338 388 N HN 0.316 nan 8.380 nan 0.000 0.533 389 L N -0.266 120.938 121.223 -0.032 0.000 3.133 389 L HA 0.566 4.906 4.340 0.001 0.000 0.289 389 L C -2.135 174.760 176.870 0.042 0.000 1.012 389 L CA -0.799 54.029 54.840 -0.019 0.000 1.001 389 L CB 0.342 42.387 42.059 -0.023 0.000 1.580 389 L HN 0.444 nan 8.230 nan 0.000 0.373 390 Y N 1.035 121.292 120.300 -0.071 0.000 2.425 390 Y HA 0.745 5.296 4.550 0.001 0.000 0.344 390 Y C -0.814 175.051 175.900 -0.058 0.000 0.969 390 Y CA -0.485 57.593 58.100 -0.036 0.000 1.052 390 Y CB 1.792 40.243 38.460 -0.014 0.000 1.215 390 Y HN 0.820 nan 8.280 nan 0.000 0.451 391 K N 4.452 124.399 120.400 -0.755 0.000 2.501 391 K HA 0.327 4.648 4.320 0.001 0.000 0.252 391 K C -1.821 174.321 176.600 -0.762 0.000 0.934 391 K CA -0.883 55.037 56.287 -0.611 0.000 0.797 391 K CB 1.953 34.146 32.500 -0.513 0.000 1.270 391 K HN 0.712 nan 8.250 nan 0.000 0.431 392 Q N 2.983 122.481 119.800 -0.503 0.000 2.368 392 Q HA 0.236 4.576 4.340 0.001 0.000 0.256 392 Q C -1.734 174.096 176.000 -0.283 0.000 0.980 392 Q CA -0.286 55.345 55.803 -0.286 0.000 0.887 392 Q CB 0.682 29.389 28.738 -0.052 0.000 1.221 392 Q HN 0.481 nan 8.270 nan 0.000 0.458 393 Y N 3.009 123.239 120.300 -0.117 0.000 2.714 393 Y HA 0.299 4.849 4.550 0.001 0.000 0.333 393 Y C 1.165 177.008 175.900 -0.094 0.000 1.220 393 Y CA -0.191 57.851 58.100 -0.097 0.000 1.513 393 Y CB 0.342 38.743 38.460 -0.100 0.000 1.435 393 Y HN 0.888 nan 8.280 nan 0.000 0.489 394 A N 2.068 124.888 122.820 -0.000 0.000 1.972 394 A HA -0.178 4.142 4.320 0.001 0.000 0.219 394 A C 2.325 179.865 177.584 -0.074 0.000 1.169 394 A CA 1.775 53.797 52.037 -0.025 0.000 0.635 394 A CB -0.541 18.436 19.000 -0.038 0.000 0.810 394 A HN 0.709 nan 8.150 nan 0.000 0.446 395 A N -0.198 122.535 122.820 -0.144 0.000 2.066 395 A HA 0.106 4.426 4.320 0.001 0.000 0.218 395 A C 1.907 179.287 177.584 -0.339 0.000 1.157 395 A CA 1.444 53.263 52.037 -0.363 0.000 0.670 395 A CB -0.525 17.994 19.000 -0.802 0.000 0.804 395 A HN 0.847 nan 8.150 nan 0.000 0.453 396 M N -3.467 116.023 119.600 -0.182 0.000 2.596 396 M HA 0.339 4.819 4.480 0.001 0.000 0.364 396 M C -0.844 175.424 176.300 -0.054 0.000 1.158 396 M CA -0.249 54.967 55.300 -0.141 0.000 0.940 396 M CB 0.266 32.775 32.600 -0.151 0.000 1.388 396 M HN -0.030 nan 8.290 nan 0.000 0.522 397 D N 2.497 122.887 120.400 -0.016 0.000 2.697 397 D HA -0.128 4.512 4.640 0.001 0.000 0.235 397 D C -0.614 175.710 176.300 0.041 0.000 1.167 397 D CA 0.885 54.906 54.000 0.035 0.000 0.656 397 D CB -0.425 40.410 40.800 0.058 0.000 1.025 397 D HN 0.511 nan 8.370 nan 0.000 0.419 398 R N -0.494 120.035 120.500 0.048 0.000 2.795 398 R HA 0.920 5.261 4.340 0.001 0.000 0.275 398 R C -0.369 175.993 176.300 0.104 0.000 0.981 398 R CA -0.721 55.403 56.100 0.040 0.000 0.917 398 R CB 2.285 32.555 30.300 -0.050 0.000 1.202 398 R HN 0.097 nan 8.270 nan 0.000 0.469 399 A N 0.632 123.485 122.820 0.055 0.000 2.549 399 A HA 0.694 5.014 4.320 0.001 0.000 0.297 399 A C -1.538 176.033 177.584 -0.021 0.000 1.061 399 A CA -0.673 51.352 52.037 -0.020 0.000 0.690 399 A CB 2.175 21.149 19.000 -0.043 0.000 1.287 399 A HN 0.381 nan 8.150 nan 0.000 0.402 400 V N 2.125 121.968 119.914 -0.118 0.000 2.888 400 V HA 0.776 4.896 4.120 0.001 0.000 0.309 400 V C -1.957 174.095 176.094 -0.069 0.000 1.114 400 V CA -0.618 61.668 62.300 -0.024 0.000 0.940 400 V CB 1.802 33.664 31.823 0.065 0.000 1.021 400 V HN 1.250 nan 8.190 nan 0.000 0.426 401 L N 5.757 127.026 121.223 0.077 0.000 2.356 401 L HA 0.675 5.015 4.340 0.001 0.000 0.277 401 L C -0.696 176.197 176.870 0.039 0.000 0.996 401 L CA 0.182 55.103 54.840 0.136 0.000 0.822 401 L CB 1.928 44.156 42.059 0.281 0.000 1.256 401 L HN 0.705 nan 8.230 nan 0.000 0.413 402 Q N 5.598 125.388 119.800 -0.017 0.000 2.325 402 Q HA 0.567 4.907 4.340 0.001 0.000 0.270 402 Q C -0.979 174.922 176.000 -0.164 0.000 1.020 402 Q CA -0.716 55.046 55.803 -0.068 0.000 0.785 402 Q CB 2.589 31.331 28.738 0.006 0.000 1.259 402 Q HN 0.549 nan 8.270 nan 0.000 0.452 403 R N 1.591 121.880 120.500 -0.352 0.000 2.888 403 R HA 0.616 4.957 4.340 0.001 0.000 0.264 403 R C -2.575 173.592 176.300 -0.222 0.000 1.045 403 R CA -2.288 53.586 56.100 -0.376 0.000 0.962 403 R CB 0.768 30.611 30.300 -0.763 0.000 1.210 403 R HN 0.350 nan 8.270 nan 0.000 0.479 404 P HA 0.174 nan 4.420 nan 0.000 0.276 404 P C 0.532 177.880 177.300 0.079 0.000 1.235 404 P CA 0.616 63.726 63.100 0.016 0.000 0.772 404 P CB 0.582 32.306 31.700 0.039 0.000 0.871 405 G N 1.945 110.844 108.800 0.164 0.000 2.225 405 G HA2 -0.210 3.750 3.960 0.001 0.000 0.254 405 G HA3 -0.210 3.750 3.960 0.001 0.000 0.254 405 G C -0.074 175.079 174.900 0.422 0.000 0.988 405 G CA 0.319 45.583 45.100 0.274 0.000 0.625 405 G HN 0.676 nan 8.290 nan 0.000 0.527 406 F N -1.941 118.142 119.950 0.222 0.000 2.799 406 F HA 0.799 5.327 4.527 0.001 0.000 0.316 406 F C -0.797 175.013 175.800 0.017 0.000 1.155 406 F CA -0.924 57.124 58.000 0.080 0.000 0.916 406 F CB 0.639 39.668 39.000 0.048 0.000 1.294 406 F HN 1.130 nan 8.300 nan 0.000 0.447 407 A N 2.830 125.656 122.820 0.010 0.000 2.515 407 A HA 0.803 5.124 4.320 0.001 0.000 0.298 407 A C -2.502 175.272 177.584 0.315 0.000 1.059 407 A CA -0.807 51.229 52.037 -0.002 0.000 0.698 407 A CB 2.056 20.922 19.000 -0.225 0.000 1.289 407 A HN 1.212 nan 8.150 nan 0.000 0.404 408 L N 2.116 123.524 121.223 0.309 0.000 2.381 408 L HA 0.799 5.139 4.340 0.001 0.000 0.274 408 L C -0.006 177.013 176.870 0.248 0.000 0.988 408 L CA 0.003 55.036 54.840 0.322 0.000 0.824 408 L CB 1.155 43.416 42.059 0.336 0.000 1.263 408 L HN 0.965 nan 8.230 nan 0.000 0.410 409 G N 4.553 113.527 108.800 0.289 0.000 2.415 409 G HA2 0.557 4.517 3.960 0.001 0.000 0.327 409 G HA3 0.557 4.517 3.960 0.001 0.000 0.327 409 G C -1.814 173.199 174.900 0.188 0.000 1.182 409 G CA -0.414 44.813 45.100 0.212 0.000 0.924 409 G HN 0.461 nan 8.290 nan 0.000 0.470 410 L N 2.510 123.769 121.223 0.059 0.000 2.343 410 L HA 0.789 5.130 4.340 0.001 0.000 0.278 410 L C 0.132 176.985 176.870 -0.029 0.000 0.996 410 L CA -0.816 53.983 54.840 -0.069 0.000 0.831 410 L CB 1.402 43.297 42.059 -0.272 0.000 1.232 410 L HN 0.656 nan 8.230 nan 0.000 0.413 411 A N 6.509 129.365 122.820 0.060 0.000 2.276 411 A HA 0.826 5.147 4.320 0.001 0.000 0.316 411 A C -0.943 176.702 177.584 0.103 0.000 1.229 411 A CA -0.422 51.674 52.037 0.098 0.000 0.851 411 A CB 0.373 19.500 19.000 0.211 0.000 1.165 411 A HN 0.738 nan 8.150 nan 0.000 0.513 412 L N 1.316 122.610 121.223 0.119 0.000 2.230 412 L HA 0.824 5.164 4.340 0.001 0.000 0.255 412 L C -0.513 176.533 176.870 0.294 0.000 1.039 412 L CA -1.106 53.855 54.840 0.203 0.000 0.846 412 L CB 1.860 44.004 42.059 0.142 0.000 1.419 412 L HN 0.865 nan 8.230 nan 0.000 0.435 413 Y N -0.926 119.452 120.300 0.130 0.000 2.638 413 Y HA 0.812 5.362 4.550 0.001 0.000 0.335 413 Y C -0.678 175.288 175.900 0.110 0.000 1.155 413 Y CA -0.392 57.768 58.100 0.100 0.000 1.046 413 Y CB 1.662 40.193 38.460 0.118 0.000 1.303 413 Y HN 0.720 nan 8.280 nan 0.000 0.460 414 S N -0.888 114.793 115.700 -0.032 0.000 2.930 414 S HA 0.233 4.703 4.470 0.001 0.000 0.306 414 S C 0.393 174.996 174.600 0.005 0.000 1.238 414 S CA -0.210 57.922 58.200 -0.115 0.000 1.000 414 S CB 0.524 63.717 63.200 -0.013 0.000 1.342 414 S HN 1.282 nan 8.310 nan 0.000 0.575 415 T N -0.626 113.932 114.554 0.006 0.000 3.072 415 T HA 0.140 4.491 4.350 0.001 0.000 0.266 415 T C 1.366 176.072 174.700 0.009 0.000 1.127 415 T CA 0.814 62.927 62.100 0.022 0.000 1.107 415 T CB -0.438 68.444 68.868 0.023 0.000 0.910 415 T HN 0.569 nan 8.240 nan 0.000 0.513 416 R N -0.176 120.324 120.500 -0.000 0.000 2.195 416 R HA 0.383 4.724 4.340 0.001 0.000 0.197 416 R C 0.098 176.359 176.300 -0.064 0.000 0.990 416 R CA 0.172 56.254 56.100 -0.029 0.000 1.048 416 R CB 0.445 30.725 30.300 -0.032 0.000 0.997 416 R HN 0.332 nan 8.270 nan 0.000 0.502 417 I N 0.878 121.428 120.570 -0.033 0.000 2.509 417 I HA 0.250 4.420 4.170 0.001 0.000 0.293 417 I C -0.002 176.108 176.117 -0.012 0.000 1.020 417 I CA -0.593 60.663 61.300 -0.074 0.000 1.088 417 I CB 1.997 39.985 38.000 -0.020 0.000 1.267 417 I HN -0.048 nan 8.210 nan 0.000 0.430 418 S N 2.647 118.201 115.700 -0.242 0.000 2.601 418 S HA 0.140 4.610 4.470 0.001 0.000 0.271 418 S C 1.415 175.998 174.600 -0.029 0.000 1.305 418 S CA -0.323 57.771 58.200 -0.177 0.000 1.022 418 S CB 1.293 64.179 63.200 -0.524 0.000 0.940 418 S HN 0.782 nan 8.310 nan 0.000 0.525 419 S N 0.998 116.602 115.700 -0.160 0.000 2.365 419 S HA -0.122 4.349 4.470 0.001 0.000 0.225 419 S C 0.235 174.927 174.600 0.153 0.000 1.039 419 S CA 1.405 59.416 58.200 -0.316 0.000 1.033 419 S CB -0.749 62.239 63.200 -0.353 0.000 0.887 419 S HN 0.982 nan 8.310 nan 0.000 0.447 420 Y N -1.244 119.071 120.300 0.026 0.000 2.717 420 Y HA 0.688 5.239 4.550 0.001 0.000 0.345 420 Y C -1.253 174.740 175.900 0.155 0.000 1.187 420 Y CA -1.621 56.512 58.100 0.055 0.000 1.128 420 Y CB 0.476 38.873 38.460 -0.103 0.000 1.360 420 Y HN 0.205 nan 8.280 nan 0.000 0.467 421 E N 1.348 121.419 120.200 -0.214 0.000 2.195 421 E HA 0.670 5.020 4.350 0.001 0.000 0.271 421 E C -1.450 174.958 176.600 -0.320 0.000 0.923 421 E CA -0.861 55.229 56.400 -0.516 0.000 0.790 421 E CB 1.715 30.780 29.700 -1.058 0.000 1.155 421 E HN 0.712 nan 8.360 nan 0.000 0.402 422 S N 5.371 120.901 115.700 -0.284 0.000 2.511 422 S HA 0.395 4.865 4.470 0.001 0.000 0.233 422 S C -0.929 173.614 174.600 -0.094 0.000 1.104 422 S CA -0.679 57.438 58.200 -0.138 0.000 1.129 422 S CB -0.156 63.012 63.200 -0.054 0.000 1.159 422 S HN 0.532 nan 8.310 nan 0.000 0.451 423 I N 0.750 121.281 120.570 -0.064 0.000 3.042 423 I HA 0.647 4.817 4.170 0.001 0.000 0.310 423 I C -0.295 175.819 176.117 -0.004 0.000 1.117 423 I CA -1.067 60.220 61.300 -0.021 0.000 1.003 423 I CB 1.720 39.723 38.000 0.004 0.000 1.228 423 I HN 0.444 nan 8.210 nan 0.000 0.443 424 N N 1.940 120.656 118.700 0.027 0.000 2.721 424 N HA -0.216 4.524 4.740 0.001 0.000 0.249 424 N C 0.131 175.656 175.510 0.027 0.000 1.072 424 N CA 1.301 54.383 53.050 0.053 0.000 0.710 424 N CB -1.228 37.291 38.487 0.054 0.000 0.993 424 N HN 0.848 nan 8.380 nan 0.000 0.547 425 S N -2.095 113.613 115.700 0.013 0.000 3.561 425 S HA -0.231 4.240 4.470 0.001 0.000 0.318 425 S C 0.016 174.612 174.600 -0.007 0.000 1.181 425 S CA 1.261 59.466 58.200 0.008 0.000 0.916 425 S CB -0.757 62.456 63.200 0.023 0.000 0.966 425 S HN 0.628 nan 8.310 nan 0.000 0.550 426 E N 0.974 121.158 120.200 -0.027 0.000 2.212 426 E HA 0.484 4.835 4.350 0.001 0.000 0.268 426 E C 0.543 177.096 176.600 -0.079 0.000 0.902 426 E CA -0.780 55.590 56.400 -0.051 0.000 0.779 426 E CB 0.974 30.633 29.700 -0.068 0.000 1.172 426 E HN 0.374 nan 8.360 nan 0.000 0.409 427 N N 1.613 120.248 118.700 -0.109 0.000 2.758 427 N HA -0.182 4.558 4.740 0.001 0.000 0.248 427 N C 0.698 176.093 175.510 -0.191 0.000 1.076 427 N CA 0.123 53.071 53.050 -0.170 0.000 0.696 427 N CB -0.529 37.864 38.487 -0.157 0.000 0.979 427 N HN 0.790 nan 8.380 nan 0.000 0.550 428 G N -0.117 108.563 108.800 -0.200 0.000 2.509 428 G HA2 -0.163 3.797 3.960 0.001 0.000 0.218 428 G HA3 -0.163 3.797 3.960 0.001 0.000 0.218 428 G C 1.128 175.654 174.900 -0.623 0.000 1.124 428 G CA 0.502 45.466 45.100 -0.227 0.000 0.776 428 G HN 0.461 nan 8.290 nan 0.000 0.547 429 R N 0.012 119.992 120.500 -0.868 0.000 2.700 429 R HA 0.181 4.521 4.340 0.001 0.000 0.399 429 R C 1.526 176.989 176.300 -1.394 0.000 1.115 429 R CA 0.167 55.257 56.100 -1.685 0.000 1.058 429 R CB 0.903 30.525 30.300 -1.130 0.000 1.389 429 R HN 0.181 nan 8.270 nan 0.000 0.582 430 G N -0.101 108.015 108.800 -1.140 0.000 3.088 430 G HA2 -0.084 3.877 3.960 0.001 0.000 0.212 430 G HA3 -0.084 3.877 3.960 0.001 0.000 0.212 430 G C 0.847 175.070 174.900 -1.129 0.000 1.173 430 G CA -0.353 44.253 45.100 -0.824 0.000 0.779 430 G HN 0.300 nan 8.290 nan 0.000 0.540 431 W N 0.802 121.290 121.300 -1.354 0.000 2.256 431 W HA -0.246 4.415 4.660 0.001 0.000 0.341 431 W C 1.212 177.132 176.519 -0.998 0.000 1.372 431 W CA 1.170 57.625 57.345 -1.482 0.000 1.342 431 W CB -1.073 27.676 29.460 -1.184 0.000 1.107 431 W HN 0.404 nan 8.180 nan 0.000 0.474 432 Y N 0.197 120.464 120.300 -0.055 0.000 2.555 432 Y HA 0.073 4.624 4.550 0.001 0.000 0.259 432 Y C 2.290 178.241 175.900 0.086 0.000 1.179 432 Y CA 0.879 59.008 58.100 0.049 0.000 1.230 432 Y CB -0.981 37.548 38.460 0.114 0.000 1.146 432 Y HN -0.081 nan 8.280 nan 0.000 0.526 433 T N -3.760 110.875 114.554 0.135 0.000 3.025 433 T HA -0.019 4.332 4.350 0.001 0.000 0.270 433 T C 1.626 176.489 174.700 0.271 0.000 1.126 433 T CA 1.236 63.473 62.100 0.228 0.000 1.105 433 T CB -0.176 68.731 68.868 0.065 0.000 0.884 433 T HN 0.404 nan 8.240 nan 0.000 0.522 434 G N -0.138 108.791 108.800 0.215 0.000 4.424 434 G HA2 0.561 4.522 3.960 0.001 0.000 0.287 434 G HA3 0.561 4.522 3.960 0.001 0.000 0.287 434 G C 0.304 175.401 174.900 0.329 0.000 1.023 434 G CA -0.034 45.206 45.100 0.233 0.000 0.790 434 G HN 0.601 nan 8.290 nan 0.000 0.468 435 A N 0.403 123.454 122.820 0.386 0.000 3.290 435 A HA 0.612 4.933 4.320 0.001 0.000 0.297 435 A C 1.391 179.261 177.584 0.477 0.000 1.285 435 A CA 0.238 52.614 52.037 0.566 0.000 1.060 435 A CB -0.640 18.778 19.000 0.696 0.000 1.114 435 A HN 1.572 nan 8.150 nan 0.000 0.601 436 G N -0.392 108.627 108.800 0.365 0.000 2.212 436 G HA2 0.149 4.110 3.960 0.001 0.000 0.255 436 G HA3 0.149 4.110 3.960 0.001 0.000 0.255 436 G C 0.339 175.384 174.900 0.242 0.000 1.062 436 G CA 0.202 45.500 45.100 0.330 0.000 0.815 436 G HN 1.834 nan 8.290 nan 0.000 0.497 437 A N 0.395 123.301 122.820 0.143 0.000 2.328 437 A HA 0.828 5.148 4.320 0.001 0.000 0.284 437 A C 0.786 178.308 177.584 -0.104 0.000 1.160 437 A CA 0.739 52.794 52.037 0.029 0.000 0.818 437 A CB 0.544 19.576 19.000 0.054 0.000 1.087 437 A HN 1.770 nan 8.150 nan 0.000 0.504 438 T N -0.036 114.414 114.554 -0.174 0.000 2.794 438 T HA 0.638 4.989 4.350 0.001 0.000 0.280 438 T C -0.983 173.554 174.700 -0.271 0.000 0.987 438 T CA -0.323 61.714 62.100 -0.105 0.000 0.993 438 T CB 0.538 69.447 68.868 0.068 0.000 0.939 438 T HN 0.368 nan 8.240 nan 0.000 0.449 439 Y N 2.302 122.609 120.300 0.012 0.000 2.326 439 Y HA 0.576 5.126 4.550 0.001 0.000 0.331 439 Y C -0.345 175.502 175.900 -0.088 0.000 0.962 439 Y CA -1.405 56.645 58.100 -0.083 0.000 1.167 439 Y CB 1.598 39.936 38.460 -0.204 0.000 1.148 439 Y HN 0.630 nan 8.280 nan 0.000 0.463 440 L N 4.850 126.073 121.223 -0.000 0.000 2.289 440 L HA 0.522 4.863 4.340 0.001 0.000 0.285 440 L C -1.665 175.061 176.870 -0.239 0.000 1.049 440 L CA -0.903 53.918 54.840 -0.031 0.000 0.804 440 L CB 0.197 42.243 42.059 -0.021 0.000 1.195 440 L HN 0.451 nan 8.230 nan 0.000 0.428 441 Y N 5.093 125.395 120.300 0.003 0.000 2.341 441 Y HA 0.518 5.069 4.550 0.001 0.000 0.338 441 Y C 0.399 176.158 175.900 -0.234 0.000 0.965 441 Y CA -0.477 57.508 58.100 -0.192 0.000 1.108 441 Y CB 1.346 39.462 38.460 -0.574 0.000 1.180 441 Y HN 0.787 nan 8.280 nan 0.000 0.458 442 N N 0.126 118.880 118.700 0.091 0.000 3.574 442 N HA 0.144 4.884 4.740 0.001 0.000 0.340 442 N C 0.244 175.942 175.510 0.314 0.000 1.650 442 N CA -0.738 52.440 53.050 0.213 0.000 0.762 442 N CB 0.749 39.312 38.487 0.126 0.000 2.206 442 N HN 0.355 nan 8.380 nan 0.000 0.621 443 Q N 0.561 120.501 119.800 0.233 0.000 2.364 443 Q HA -0.068 4.272 4.340 0.001 0.000 0.209 443 Q C -0.489 175.599 176.000 0.147 0.000 0.977 443 Q CA 1.288 57.210 55.803 0.198 0.000 0.885 443 Q CB -0.704 28.121 28.738 0.144 0.000 0.941 443 Q HN 0.556 nan 8.270 nan 0.000 0.464 444 D N -0.241 120.216 120.400 0.095 0.000 2.508 444 D HA -0.003 4.638 4.640 0.001 0.000 0.224 444 D C 0.487 176.802 176.300 0.025 0.000 1.171 444 D CA -0.008 54.008 54.000 0.027 0.000 1.006 444 D CB -0.155 40.617 40.800 -0.047 0.000 1.073 444 D HN 0.291 nan 8.370 nan 0.000 0.513 445 L N 1.743 123.008 121.223 0.070 0.000 2.456 445 L HA -0.005 4.336 4.340 0.001 0.000 0.224 445 L C 2.011 178.734 176.870 -0.245 0.000 1.148 445 L CA 0.674 55.569 54.840 0.092 0.000 0.825 445 L CB -0.304 41.840 42.059 0.141 0.000 0.937 445 L HN 0.345 nan 8.230 nan 0.000 0.450 446 A N -0.711 121.892 122.820 -0.363 0.000 2.238 446 A HA -0.063 4.257 4.320 0.001 0.000 0.210 446 A C 2.119 179.496 177.584 -0.344 0.000 1.179 446 A CA 0.243 51.943 52.037 -0.561 0.000 0.827 446 A CB -0.032 18.809 19.000 -0.265 0.000 0.856 446 A HN 0.302 nan 8.150 nan 0.000 0.488 447 Q N -0.020 119.563 119.800 -0.361 0.000 2.103 447 Q HA -0.250 4.090 4.340 0.001 0.000 0.213 447 Q C 0.884 176.408 176.000 -0.792 0.000 1.008 447 Q CA 2.544 57.988 55.803 -0.597 0.000 0.879 447 Q CB -0.617 27.596 28.738 -0.877 0.000 0.946 447 Q HN 0.722 nan 8.270 nan 0.000 0.413 448 Y N -0.619 119.461 120.300 -0.367 0.000 2.457 448 Y HA 0.396 4.947 4.550 0.001 0.000 0.263 448 Y C 0.783 176.608 175.900 -0.125 0.000 1.164 448 Y CA -0.048 57.754 58.100 -0.496 0.000 1.274 448 Y CB 0.434 38.674 38.460 -0.367 0.000 1.097 448 Y HN -0.067 nan 8.280 nan 0.000 0.523 449 S N -0.811 114.902 115.700 0.022 0.000 2.713 449 S HA 0.248 4.718 4.470 0.001 0.000 0.296 449 S C 0.031 174.735 174.600 0.173 0.000 1.114 449 S CA -0.789 57.499 58.200 0.147 0.000 0.997 449 S CB 0.799 64.014 63.200 0.025 0.000 1.249 449 S HN 0.286 nan 8.310 nan 0.000 0.534 450 E N 1.446 121.809 120.200 0.271 0.000 2.320 450 E HA -0.173 4.178 4.350 0.001 0.000 0.234 450 E C -1.227 175.517 176.600 0.241 0.000 1.183 450 E CA 0.508 57.059 56.400 0.250 0.000 0.713 450 E CB -1.717 28.088 29.700 0.174 0.000 1.226 450 E HN 0.662 nan 8.360 nan 0.000 0.382 451 D N -2.357 118.272 120.400 0.382 0.000 2.746 451 D HA -0.267 4.373 4.640 0.001 0.000 0.236 451 D C 0.266 176.600 176.300 0.057 0.000 1.129 451 D CA 1.330 55.491 54.000 0.268 0.000 0.691 451 D CB -1.496 39.429 40.800 0.210 0.000 1.077 451 D HN 0.600 nan 8.370 nan 0.000 0.432 452 Y N -0.512 119.762 120.300 -0.045 0.000 2.109 452 Y HA -0.152 4.399 4.550 0.001 0.000 0.285 452 Y C 2.235 177.976 175.900 -0.265 0.000 1.131 452 Y CA 1.939 59.938 58.100 -0.169 0.000 1.121 452 Y CB -0.460 37.803 38.460 -0.329 0.000 0.987 452 Y HN 0.187 nan 8.280 nan 0.000 0.495 453 W N 1.371 122.719 121.300 0.080 0.000 2.325 453 W HA -0.189 4.471 4.660 0.001 0.000 0.299 453 W C -0.455 175.786 176.519 -0.463 0.000 1.215 453 W CA 1.270 58.514 57.345 -0.169 0.000 1.244 453 W CB -1.512 27.906 29.460 -0.070 0.000 1.140 453 W HN 0.237 nan 8.180 nan 0.000 0.523 454 P HA 0.039 nan 4.420 nan 0.000 0.245 454 P C 0.985 178.084 177.300 -0.336 0.000 1.206 454 P CA 1.700 64.479 63.100 -0.536 0.000 0.781 454 P CB 0.257 31.369 31.700 -0.981 0.000 0.994 455 T N -4.336 110.042 114.554 -0.293 0.000 2.978 455 T HA 0.123 4.474 4.350 0.001 0.000 0.248 455 T C 0.807 175.299 174.700 -0.347 0.000 1.018 455 T CA -0.070 61.915 62.100 -0.192 0.000 1.026 455 T CB -0.727 68.133 68.868 -0.014 0.000 1.032 455 T HN -0.120 nan 8.240 nan 0.000 0.485 456 V N 3.189 122.744 119.914 -0.598 0.000 2.872 456 V HA 0.199 4.319 4.120 0.001 0.000 0.307 456 V C -0.007 175.730 176.094 -0.594 0.000 1.072 456 V CA -0.243 61.449 62.300 -1.013 0.000 1.148 456 V CB 0.717 31.802 31.823 -1.230 0.000 0.954 456 V HN 0.491 nan 8.190 nan 0.000 0.490 457 D N 5.102 125.164 120.400 -0.562 0.000 2.348 457 D HA 0.206 4.847 4.640 0.001 0.000 0.259 457 D C 0.921 177.119 176.300 -0.170 0.000 1.296 457 D CA 0.580 54.418 54.000 -0.270 0.000 0.931 457 D CB 1.195 41.858 40.800 -0.228 0.000 1.067 457 D HN 0.715 nan 8.370 nan 0.000 0.503 458 A N 4.004 126.741 122.820 -0.139 0.000 2.131 458 A HA -0.209 4.111 4.320 0.001 0.000 0.220 458 A C 1.268 178.893 177.584 0.068 0.000 1.158 458 A CA 1.005 52.987 52.037 -0.092 0.000 0.665 458 A CB -0.541 18.287 19.000 -0.287 0.000 0.795 458 A HN 0.680 nan 8.150 nan 0.000 0.460 459 Y N -0.852 119.565 120.300 0.194 0.000 2.511 459 Y HA 0.149 4.700 4.550 0.001 0.000 0.279 459 Y C 1.230 177.093 175.900 -0.060 0.000 1.157 459 Y CA 0.502 58.686 58.100 0.139 0.000 1.300 459 Y CB 0.247 38.691 38.460 -0.028 0.000 1.052 459 Y HN 0.156 nan 8.280 nan 0.000 0.529 460 R N 0.703 121.215 120.500 0.020 0.000 2.835 460 R HA 0.248 4.588 4.340 0.001 0.000 0.290 460 R C -1.069 175.203 176.300 -0.046 0.000 1.410 460 R CA -0.313 55.731 56.100 -0.094 0.000 1.590 460 R CB 0.426 30.603 30.300 -0.204 0.000 1.288 460 R HN -0.002 nan 8.270 nan 0.000 0.637 461 I N 2.593 123.175 120.570 0.020 0.000 2.471 461 I HA 0.162 4.333 4.170 0.001 0.000 0.286 461 I C -1.950 174.178 176.117 0.019 0.000 1.079 461 I CA -2.949 58.383 61.300 0.054 0.000 1.398 461 I CB 0.488 38.578 38.000 0.149 0.000 1.403 461 I HN -0.035 nan 8.210 nan 0.000 0.530 462 P HA 0.038 nan 4.420 nan 0.000 0.261 462 P C 0.885 178.224 177.300 0.065 0.000 1.173 462 P CA 0.959 64.069 63.100 0.016 0.000 0.760 462 P CB 0.460 32.155 31.700 -0.009 0.000 0.783 463 G N 1.552 110.451 108.800 0.164 0.000 2.234 463 G HA2 -0.242 3.718 3.960 0.001 0.000 0.260 463 G HA3 -0.242 3.718 3.960 0.001 0.000 0.260 463 G C 0.401 175.496 174.900 0.326 0.000 0.987 463 G CA 0.469 45.767 45.100 0.330 0.000 0.625 463 G HN 0.814 nan 8.290 nan 0.000 0.532 464 T N -1.352 113.323 114.554 0.202 0.000 2.899 464 T HA 0.631 4.982 4.350 0.001 0.000 0.284 464 T C -0.076 174.702 174.700 0.129 0.000 1.004 464 T CA 0.449 62.668 62.100 0.199 0.000 1.043 464 T CB 2.156 71.098 68.868 0.122 0.000 1.013 464 T HN 0.358 nan 8.240 nan 0.000 0.518 465 T N 1.949 116.608 114.554 0.175 0.000 2.786 465 T HA 0.628 4.979 4.350 0.001 0.000 0.283 465 T C -0.149 174.670 174.700 0.198 0.000 0.992 465 T CA -0.597 61.609 62.100 0.176 0.000 0.954 465 T CB 0.813 69.812 68.868 0.219 0.000 0.934 465 T HN 0.994 nan 8.240 nan 0.000 0.440 466 V N 0.190 120.162 119.914 0.096 0.000 3.182 466 V HA 1.021 5.141 4.120 0.001 0.000 0.308 466 V C -0.714 175.433 176.094 0.087 0.000 1.240 466 V CA -1.672 60.683 62.300 0.091 0.000 1.063 466 V CB 1.563 33.144 31.823 -0.403 0.000 1.076 466 V HN 0.910 nan 8.190 nan 0.000 0.446 467 A N 1.104 123.963 122.820 0.065 0.000 2.276 467 A HA 0.660 4.981 4.320 0.001 0.000 0.300 467 A C 0.509 177.952 177.584 -0.235 0.000 1.235 467 A CA 0.176 52.112 52.037 -0.169 0.000 0.867 467 A CB 0.218 18.843 19.000 -0.624 0.000 1.137 467 A HN 1.494 nan 8.150 nan 0.000 0.527 468 S N 2.098 117.667 115.700 -0.217 0.000 2.810 468 S HA 0.250 4.720 4.470 0.001 0.000 0.329 468 S C 1.577 175.951 174.600 -0.377 0.000 1.231 468 S CA 1.365 59.396 58.200 -0.282 0.000 1.042 468 S CB -0.269 62.783 63.200 -0.247 0.000 0.756 468 S HN 2.381 nan 8.310 nan 0.000 0.504 469 G N 4.129 112.635 108.800 -0.491 0.000 2.361 469 G HA2 -0.237 3.723 3.960 0.001 0.000 0.294 469 G HA3 -0.237 3.723 3.960 0.001 0.000 0.294 469 G C 0.113 174.434 174.900 -0.965 0.000 1.004 469 G CA 0.743 45.248 45.100 -0.992 0.000 0.870 469 G HN 0.876 nan 8.290 nan 0.000 0.510 470 T N 1.592 115.865 114.554 -0.468 0.000 2.841 470 T HA 0.652 5.002 4.350 0.001 0.000 0.283 470 T C -2.108 172.542 174.700 -0.083 0.000 1.000 470 T CA -0.915 60.995 62.100 -0.317 0.000 0.977 470 T CB 3.352 71.959 68.868 -0.435 0.000 0.979 470 T HN 0.167 nan 8.240 nan 0.000 0.446 471 P HA 0.651 nan 4.420 nan 0.000 0.284 471 P C -0.837 176.242 177.300 -0.367 0.000 1.292 471 P CA -0.800 61.839 63.100 -0.768 0.000 0.800 471 P CB 1.063 31.877 31.700 -1.476 0.000 1.188 472 I N -4.090 116.178 120.570 -0.503 0.000 3.145 472 I HA 0.832 5.003 4.170 0.001 0.000 0.313 472 I C -0.662 175.454 176.117 -0.002 0.000 1.122 472 I CA -1.638 59.515 61.300 -0.246 0.000 0.987 472 I CB 1.847 39.595 38.000 -0.420 0.000 1.236 472 I HN 0.269 nan 8.210 nan 0.000 0.453 473 A N 1.612 124.473 122.820 0.069 0.000 2.252 473 A HA 0.599 4.920 4.320 0.001 0.000 0.305 473 A C 0.045 177.739 177.584 0.184 0.000 1.097 473 A CA -0.421 51.711 52.037 0.159 0.000 0.849 473 A CB 0.938 19.986 19.000 0.080 0.000 1.142 473 A HN 0.791 nan 8.150 nan 0.000 0.499 474 S N -0.246 115.449 115.700 -0.008 0.000 2.474 474 S HA 0.581 5.051 4.470 0.001 0.000 0.276 474 S C 0.192 174.739 174.600 -0.089 0.000 1.227 474 S CA 0.471 58.475 58.200 -0.327 0.000 1.050 474 S CB -0.435 62.402 63.200 -0.604 0.000 0.939 474 S HN 2.121 nan 8.310 nan 0.000 0.490 475 G N 2.890 111.661 108.800 -0.048 0.000 2.316 475 G HA2 0.371 4.332 3.960 0.001 0.000 0.296 475 G HA3 0.371 4.332 3.960 0.001 0.000 0.296 475 G C -0.576 174.349 174.900 0.042 0.000 1.399 475 G CA -0.231 44.868 45.100 -0.001 0.000 0.833 475 G HN 0.943 nan 8.290 nan 0.000 0.565 476 T N -0.985 113.605 114.554 0.059 0.000 2.828 476 T HA 0.650 5.001 4.350 0.001 0.000 0.290 476 T C 1.145 175.988 174.700 0.240 0.000 1.019 476 T CA 0.476 62.658 62.100 0.137 0.000 1.031 476 T CB 1.470 70.365 68.868 0.045 0.000 1.001 476 T HN 1.502 nan 8.240 nan 0.000 0.531 477 G N -0.295 108.668 108.800 0.271 0.000 2.510 477 G HA2 0.461 4.422 3.960 0.001 0.000 0.280 477 G HA3 0.461 4.422 3.960 0.001 0.000 0.280 477 G C 0.790 175.733 174.900 0.071 0.000 1.386 477 G CA -0.121 45.089 45.100 0.183 0.000 1.047 477 G HN 0.987 nan 8.290 nan 0.000 0.527 478 T N -3.520 111.052 114.554 0.030 0.000 3.044 478 T HA 0.352 4.703 4.350 0.001 0.000 0.260 478 T C 0.799 175.509 174.700 0.018 0.000 1.019 478 T CA 0.281 62.397 62.100 0.027 0.000 0.921 478 T CB 0.342 69.227 68.868 0.028 0.000 1.053 478 T HN 0.411 nan 8.240 nan 0.000 0.533 479 S N 1.185 116.883 115.700 -0.002 0.000 2.509 479 S HA 0.533 5.004 4.470 0.001 0.000 0.297 479 S C 1.137 175.778 174.600 0.069 0.000 1.118 479 S CA -0.261 57.963 58.200 0.040 0.000 1.074 479 S CB 1.526 64.740 63.200 0.025 0.000 1.038 479 S HN 0.439 nan 8.310 nan 0.000 0.498 480 S N 2.849 118.623 115.700 0.124 0.000 2.517 480 S HA 0.097 4.568 4.470 0.001 0.000 0.214 480 S C 0.321 175.036 174.600 0.192 0.000 0.991 480 S CA -0.515 57.752 58.200 0.111 0.000 0.906 480 S CB -0.304 62.940 63.200 0.072 0.000 0.789 480 S HN 0.790 nan 8.310 nan 0.000 0.513 481 W N 3.231 124.582 121.300 0.085 0.000 2.351 481 W HA 0.430 5.091 4.660 0.001 0.000 0.421 481 W C -0.915 175.708 176.519 0.174 0.000 1.000 481 W CA -0.070 57.367 57.345 0.153 0.000 1.610 481 W CB -0.155 29.473 29.460 0.280 0.000 1.700 481 W HN 0.036 nan 8.180 nan 0.000 0.351 482 T N 3.187 118.074 114.554 0.555 0.000 3.109 482 T HA 0.631 4.982 4.350 0.001 0.000 0.311 482 T C 0.034 174.903 174.700 0.281 0.000 1.011 482 T CA -0.001 62.373 62.100 0.458 0.000 1.026 482 T CB 1.306 70.306 68.868 0.220 0.000 1.047 482 T HN 0.595 nan 8.240 nan 0.000 0.448 483 G N 1.571 110.580 108.800 0.348 0.000 2.403 483 G HA2 0.575 4.536 3.960 0.001 0.000 0.223 483 G HA3 0.575 4.536 3.960 0.001 0.000 0.223 483 G C -0.458 174.587 174.900 0.242 0.000 1.287 483 G CA 0.308 45.517 45.100 0.182 0.000 0.982 483 G HN 1.273 nan 8.290 nan 0.000 0.471 484 G N -2.256 106.622 108.800 0.130 0.000 2.321 484 G HA2 0.632 4.592 3.960 0.001 0.000 0.296 484 G HA3 0.632 4.592 3.960 0.001 0.000 0.296 484 G C -1.767 173.216 174.900 0.138 0.000 1.287 484 G CA 0.678 45.883 45.100 0.173 0.000 0.846 484 G HN 1.869 nan 8.290 nan 0.000 0.508 485 V N -0.492 119.524 119.914 0.169 0.000 2.864 485 V HA 0.873 4.993 4.120 0.001 0.000 0.314 485 V C -0.319 175.901 176.094 0.210 0.000 1.073 485 V CA -0.091 62.309 62.300 0.168 0.000 0.956 485 V CB 2.028 33.948 31.823 0.161 0.000 1.023 485 V HN 1.456 nan 8.190 nan 0.000 0.435 486 S N 4.779 120.605 115.700 0.210 0.000 2.519 486 S HA 0.619 5.089 4.470 0.001 0.000 0.309 486 S C -1.206 173.494 174.600 0.166 0.000 1.100 486 S CA -0.567 57.778 58.200 0.243 0.000 1.059 486 S CB 1.333 64.696 63.200 0.271 0.000 1.008 486 S HN 0.811 nan 8.310 nan 0.000 0.478 487 L N 5.884 127.200 121.223 0.155 0.000 2.272 487 L HA 0.688 5.028 4.340 0.001 0.000 0.284 487 L C 0.783 177.705 176.870 0.087 0.000 1.045 487 L CA 0.816 55.759 54.840 0.171 0.000 0.842 487 L CB 0.004 42.217 42.059 0.256 0.000 1.224 487 L HN 1.138 nan 8.230 nan 0.000 0.430 488 A N 3.804 126.597 122.820 -0.045 0.000 2.799 488 A HA -0.077 4.244 4.320 0.001 0.000 0.287 488 A C 1.607 179.161 177.584 -0.051 0.000 1.484 488 A CA 1.276 53.236 52.037 -0.128 0.000 0.813 488 A CB -2.292 16.623 19.000 -0.142 0.000 1.009 488 A HN 2.332 nan 8.150 nan 0.000 0.545 489 G N -2.329 106.476 108.800 0.007 0.000 2.212 489 G HA2 -0.403 3.558 3.960 0.001 0.000 0.267 489 G HA3 -0.403 3.558 3.960 0.001 0.000 0.267 489 G C 0.615 175.516 174.900 0.002 0.000 1.002 489 G CA 1.600 46.717 45.100 0.028 0.000 0.729 489 G HN 1.037 nan 8.290 nan 0.000 0.517 490 Q N -2.031 117.732 119.800 -0.061 0.000 2.388 490 Q HA 0.306 4.647 4.340 0.001 0.000 0.204 490 Q C 0.548 176.254 176.000 -0.489 0.000 0.946 490 Q CA 0.701 56.311 55.803 -0.321 0.000 0.880 490 Q CB 0.571 29.030 28.738 -0.466 0.000 0.997 490 Q HN 0.635 nan 8.270 nan 0.000 0.552 491 Y N -1.104 119.239 120.300 0.071 0.000 2.659 491 Y HA 0.722 5.272 4.550 0.001 0.000 0.333 491 Y C 0.353 176.028 175.900 -0.375 0.000 1.064 491 Y CA -0.917 57.160 58.100 -0.039 0.000 1.141 491 Y CB 2.100 40.626 38.460 0.110 0.000 1.316 491 Y HN 0.016 nan 8.280 nan 0.000 0.509 492 G N -0.574 107.888 108.800 -0.562 0.000 2.550 492 G HA2 0.681 4.642 3.960 0.001 0.000 0.293 492 G HA3 0.681 4.642 3.960 0.001 0.000 0.293 492 G C -2.214 172.364 174.900 -0.537 0.000 1.402 492 G CA -0.383 44.128 45.100 -0.983 0.000 0.784 492 G HN 0.856 nan 8.290 nan 0.000 0.482 493 A N -0.579 122.082 122.820 -0.265 0.000 2.549 493 A HA 0.940 5.261 4.320 0.001 0.000 0.297 493 A C -0.469 177.131 177.584 0.026 0.000 1.061 493 A CA -0.303 51.634 52.037 -0.167 0.000 0.690 493 A CB 1.750 20.686 19.000 -0.106 0.000 1.287 493 A HN 1.401 nan 8.150 nan 0.000 0.402 494 S N -1.030 114.700 115.700 0.051 0.000 2.627 494 S HA 0.954 5.425 4.470 0.001 0.000 0.283 494 S C -0.157 174.655 174.600 0.354 0.000 1.127 494 S CA -0.093 58.270 58.200 0.273 0.000 0.863 494 S CB 2.182 65.567 63.200 0.309 0.000 1.121 494 S HN 1.873 nan 8.310 nan 0.000 0.479 495 G N 0.588 109.701 108.800 0.522 0.000 2.698 495 G HA2 0.648 4.608 3.960 0.001 0.000 0.293 495 G HA3 0.648 4.608 3.960 0.001 0.000 0.293 495 G C -1.822 173.452 174.900 0.622 0.000 1.437 495 G CA -0.526 44.865 45.100 0.485 0.000 0.852 495 G HN 0.612 nan 8.290 nan 0.000 0.499 496 M N 1.583 121.497 119.600 0.524 0.000 2.277 496 M HA 0.387 4.868 4.480 0.001 0.000 0.282 496 M C -2.071 174.218 176.300 -0.019 0.000 1.074 496 M CA -0.712 54.794 55.300 0.343 0.000 0.954 496 M CB 2.359 35.179 32.600 0.366 0.000 1.672 496 M HN 0.487 nan 8.290 nan 0.000 0.471 497 D N 4.739 125.110 120.400 -0.047 0.000 2.365 497 D HA 0.306 4.946 4.640 0.001 0.000 0.237 497 D C -1.171 174.973 176.300 -0.259 0.000 1.190 497 D CA 0.061 53.865 54.000 -0.326 0.000 0.867 497 D CB 0.702 41.435 40.800 -0.112 0.000 1.050 497 D HN 0.658 nan 8.370 nan 0.000 0.491 498 L N 3.322 124.347 121.223 -0.331 0.000 2.305 498 L HA 0.439 4.779 4.340 0.001 0.000 0.281 498 L C -0.515 176.149 176.870 -0.344 0.000 1.085 498 L CA -0.218 54.421 54.840 -0.334 0.000 0.813 498 L CB 0.952 42.810 42.059 -0.335 0.000 1.157 498 L HN 0.332 nan 8.230 nan 0.000 0.436 499 S N 3.443 118.937 115.700 -0.344 0.000 2.461 499 S HA 0.334 4.804 4.470 0.001 0.000 0.245 499 S C -1.094 173.427 174.600 -0.132 0.000 1.039 499 S CA -0.573 57.489 58.200 -0.230 0.000 1.077 499 S CB 0.159 63.283 63.200 -0.127 0.000 1.171 499 S HN 0.433 nan 8.310 nan 0.000 0.433 500 Y N 1.835 122.101 120.300 -0.056 0.000 2.326 500 Y HA 0.461 5.011 4.550 0.001 0.000 0.333 500 Y C 1.669 177.496 175.900 -0.123 0.000 1.240 500 Y CA 0.375 58.407 58.100 -0.112 0.000 1.365 500 Y CB 0.732 38.931 38.460 -0.435 0.000 1.289 500 Y HN 0.664 nan 8.280 nan 0.000 0.548 501 G N 0.445 109.313 108.800 0.113 0.000 2.510 501 G HA2 0.026 3.987 3.960 0.001 0.000 0.212 501 G HA3 0.026 3.987 3.960 0.001 0.000 0.212 501 G C 1.589 176.503 174.900 0.024 0.000 1.151 501 G CA 0.535 45.672 45.100 0.061 0.000 0.817 501 G HN 0.747 nan 8.290 nan 0.000 0.534 502 A N -0.350 122.455 122.820 -0.024 0.000 2.076 502 A HA 0.327 4.647 4.320 0.001 0.000 0.220 502 A C 0.683 178.353 177.584 0.144 0.000 1.160 502 A CA 1.419 53.473 52.037 0.028 0.000 0.653 502 A CB -0.546 18.469 19.000 0.024 0.000 0.801 502 A HN 0.994 nan 8.150 nan 0.000 0.455 503 Y N -4.620 115.743 120.300 0.104 0.000 2.662 503 Y HA 0.521 5.072 4.550 0.001 0.000 0.334 503 Y C -0.958 175.024 175.900 0.136 0.000 1.185 503 Y CA -2.052 56.103 58.100 0.092 0.000 1.074 503 Y CB -0.110 38.385 38.460 0.058 0.000 1.330 503 Y HN -0.042 nan 8.280 nan 0.000 0.458 504 N N 1.602 120.491 118.700 0.315 0.000 2.416 504 N HA 0.439 5.179 4.740 0.001 0.000 0.265 504 N C -1.554 174.120 175.510 0.274 0.000 1.195 504 N CA 0.135 53.309 53.050 0.207 0.000 0.943 504 N CB 0.355 38.924 38.487 0.137 0.000 1.115 504 N HN 0.830 nan 8.380 nan 0.000 0.481 505 L N 2.801 124.122 121.223 0.164 0.000 2.705 505 L HA 0.442 4.782 4.340 0.001 0.000 0.260 505 L C -1.428 175.414 176.870 -0.048 0.000 0.921 505 L CA -0.193 54.732 54.840 0.142 0.000 0.948 505 L CB 1.206 43.496 42.059 0.385 0.000 1.427 505 L HN 0.591 nan 8.230 nan 0.000 0.432 506 S N 3.281 118.929 115.700 -0.087 0.000 2.569 506 S HA 1.090 5.560 4.470 0.001 0.000 0.280 506 S C -0.725 173.751 174.600 -0.207 0.000 1.111 506 S CA -0.048 58.046 58.200 -0.177 0.000 0.887 506 S CB 2.110 65.221 63.200 -0.148 0.000 1.095 506 S HN 1.918 nan 8.310 nan 0.000 0.476 507 A N 1.513 124.160 122.820 -0.288 0.000 2.567 507 A HA 0.786 5.107 4.320 0.001 0.000 0.291 507 A C -1.703 175.577 177.584 -0.506 0.000 1.048 507 A CA -1.069 50.766 52.037 -0.337 0.000 0.661 507 A CB 1.108 19.963 19.000 -0.242 0.000 1.288 507 A HN 0.683 nan 8.150 nan 0.000 0.424 508 R N 1.135 121.248 120.500 -0.646 0.000 2.295 508 R HA 0.530 4.871 4.340 0.001 0.000 0.324 508 R C -1.119 174.776 176.300 -0.674 0.000 0.968 508 R CA -0.275 55.199 56.100 -1.043 0.000 0.837 508 R CB 1.247 30.663 30.300 -1.474 0.000 1.133 508 R HN 0.663 nan 8.270 nan 0.000 0.450 509 K N 1.195 121.271 120.400 -0.540 0.000 2.292 509 K HA 0.493 4.813 4.320 0.001 0.000 0.257 509 K C -0.547 175.748 176.600 -0.509 0.000 0.940 509 K CA -0.421 55.565 56.287 -0.502 0.000 0.811 509 K CB 2.262 34.537 32.500 -0.374 0.000 1.120 509 K HN 0.394 nan 8.250 nan 0.000 0.428 510 S N 1.446 116.719 115.700 -0.713 0.000 2.570 510 S HA 0.564 5.035 4.470 0.001 0.000 0.286 510 S C -1.469 172.641 174.600 -0.817 0.000 1.099 510 S CA -0.889 56.993 58.200 -0.529 0.000 0.913 510 S CB 1.216 64.269 63.200 -0.245 0.000 1.085 510 S HN 0.444 nan 8.310 nan 0.000 0.480 511 W N 1.747 122.807 121.300 -0.399 0.000 3.042 511 W HA 0.465 5.125 4.660 0.001 0.000 0.337 511 W C -2.025 174.115 176.519 -0.632 0.000 1.086 511 W CA -0.690 56.469 57.345 -0.310 0.000 1.236 511 W CB 1.259 30.669 29.460 -0.083 0.000 1.381 511 W HN 0.509 nan 8.180 nan 0.000 0.472 512 F N 3.025 122.980 119.950 0.008 0.000 2.449 512 F HA 0.419 4.946 4.527 0.001 0.000 0.342 512 F C 0.119 175.604 175.800 -0.526 0.000 1.127 512 F CA -0.964 56.846 58.000 -0.318 0.000 0.975 512 F CB 1.398 40.142 39.000 -0.426 0.000 1.146 512 F HN -0.091 nan 8.300 nan 0.000 0.444 513 M N 4.872 124.256 119.600 -0.361 0.000 2.061 513 M HA 0.432 4.912 4.480 0.001 0.000 0.346 513 M C -0.829 175.382 176.300 -0.149 0.000 1.112 513 M CA 0.003 55.193 55.300 -0.182 0.000 1.021 513 M CB 0.417 33.032 32.600 0.025 0.000 1.530 513 M HN 0.460 nan 8.290 nan 0.000 0.437 514 F N -0.241 119.899 119.950 0.316 0.000 2.747 514 F HA 0.378 4.906 4.527 0.001 0.000 0.376 514 F C 1.551 177.630 175.800 0.464 0.000 1.256 514 F CA -0.986 57.229 58.000 0.357 0.000 1.121 514 F CB 0.443 39.544 39.000 0.169 0.000 1.654 514 F HN 0.460 nan 8.300 nan 0.000 0.491 515 D N 0.202 121.010 120.400 0.680 0.000 2.078 515 D HA -0.144 4.496 4.640 0.001 0.000 0.193 515 D C 0.929 177.485 176.300 0.426 0.000 0.990 515 D CA 1.957 56.265 54.000 0.514 0.000 0.827 515 D CB -0.230 40.809 40.800 0.399 0.000 0.975 515 D HN 0.572 nan 8.370 nan 0.000 0.451 516 D N -0.549 120.079 120.400 0.380 0.000 2.563 516 D HA -0.005 4.635 4.640 0.001 0.000 0.237 516 D C 0.007 176.419 176.300 0.186 0.000 1.282 516 D CA -0.093 54.117 54.000 0.350 0.000 0.816 516 D CB 0.311 41.263 40.800 0.252 0.000 1.066 516 D HN 0.288 nan 8.370 nan 0.000 0.501 517 E N 0.531 120.876 120.200 0.241 0.000 2.383 517 E HA 0.508 4.858 4.350 0.001 0.000 0.275 517 E C -1.251 175.477 176.600 0.213 0.000 0.918 517 E CA -0.929 55.549 56.400 0.131 0.000 0.764 517 E CB 1.972 31.735 29.700 0.105 0.000 1.252 517 E HN 0.005 nan 8.360 nan 0.000 0.449 518 I N 1.333 121.983 120.570 0.134 0.000 2.418 518 I HA 0.281 4.451 4.170 0.001 0.000 0.287 518 I C -0.693 175.516 176.117 0.153 0.000 1.008 518 I CA -1.136 60.253 61.300 0.147 0.000 1.104 518 I CB 2.101 40.203 38.000 0.170 0.000 1.264 518 I HN 0.284 nan 8.210 nan 0.000 0.438 519 V N 5.499 125.510 119.914 0.161 0.000 2.370 519 V HA 0.672 4.793 4.120 0.001 0.000 0.279 519 V C 0.328 176.479 176.094 0.096 0.000 1.029 519 V CA -0.555 61.841 62.300 0.161 0.000 0.870 519 V CB 1.299 33.278 31.823 0.260 0.000 0.984 519 V HN 0.802 nan 8.190 nan 0.000 0.451 520 A N 6.753 129.465 122.820 -0.179 0.000 2.288 520 A HA 0.872 5.193 4.320 0.001 0.000 0.320 520 A C -0.770 176.645 177.584 -0.282 0.000 1.217 520 A CA -0.455 51.340 52.037 -0.405 0.000 0.840 520 A CB 0.593 19.137 19.000 -0.759 0.000 1.179 520 A HN 0.805 nan 8.150 nan 0.000 0.504 521 L N 2.250 123.299 121.223 -0.290 0.000 2.362 521 L HA 0.787 5.127 4.340 0.001 0.000 0.271 521 L C 0.398 176.831 176.870 -0.729 0.000 1.002 521 L CA -0.656 53.980 54.840 -0.340 0.000 0.818 521 L CB 2.576 44.569 42.059 -0.110 0.000 1.298 521 L HN 0.823 nan 8.230 nan 0.000 0.420 522 G N 0.679 108.697 108.800 -1.304 0.000 2.662 522 G HA2 0.699 4.660 3.960 0.001 0.000 0.302 522 G HA3 0.699 4.660 3.960 0.001 0.000 0.302 522 G C -1.116 173.331 174.900 -0.754 0.000 1.389 522 G CA -0.288 44.001 45.100 -1.351 0.000 0.998 522 G HN 0.614 nan 8.290 nan 0.000 0.502 523 S N -0.403 114.991 115.700 -0.509 0.000 2.625 523 S HA 0.715 5.186 4.470 0.001 0.000 0.271 523 S C 0.654 175.055 174.600 -0.333 0.000 1.161 523 S CA 0.176 58.166 58.200 -0.351 0.000 0.820 523 S CB 1.405 64.445 63.200 -0.267 0.000 1.137 523 S HN 2.511 nan 8.310 nan 0.000 0.470 524 G N 0.440 109.091 108.800 -0.250 0.000 2.225 524 G HA2 -0.220 3.740 3.960 0.001 0.000 0.267 524 G HA3 -0.220 3.740 3.960 0.001 0.000 0.267 524 G C -0.072 174.697 174.900 -0.218 0.000 1.024 524 G CA 0.289 45.254 45.100 -0.226 0.000 0.784 524 G HN 0.968 nan 8.290 nan 0.000 0.507 525 I N 1.696 122.134 120.570 -0.219 0.000 2.483 525 I HA 0.266 4.436 4.170 0.001 0.000 0.291 525 I C 0.414 176.451 176.117 -0.133 0.000 1.112 525 I CA 0.444 61.623 61.300 -0.203 0.000 1.350 525 I CB 0.461 38.275 38.000 -0.309 0.000 1.419 525 I HN 0.104 nan 8.210 nan 0.000 0.523 526 S N 4.162 119.805 115.700 -0.096 0.000 2.536 526 S HA 0.681 5.151 4.470 0.001 0.000 0.287 526 S C -0.630 173.963 174.600 -0.011 0.000 1.101 526 S CA -0.666 57.504 58.200 -0.051 0.000 0.950 526 S CB 2.334 65.500 63.200 -0.056 0.000 1.056 526 S HN 0.624 nan 8.310 nan 0.000 0.481 527 S N 0.343 116.052 115.700 0.015 0.000 2.565 527 S HA 0.665 5.136 4.470 0.001 0.000 0.269 527 S C -0.112 174.513 174.600 0.042 0.000 1.153 527 S CA -0.130 58.102 58.200 0.052 0.000 0.835 527 S CB 1.392 64.644 63.200 0.088 0.000 1.122 527 S HN 0.890 nan 8.310 nan 0.000 0.462 528 T N -0.147 114.440 114.554 0.055 0.000 3.058 528 T HA 0.403 4.754 4.350 0.001 0.000 0.278 528 T C 1.535 176.261 174.700 0.043 0.000 0.974 528 T CA 0.551 62.674 62.100 0.039 0.000 0.893 528 T CB 0.141 69.029 68.868 0.033 0.000 1.138 528 T HN 0.804 nan 8.240 nan 0.000 0.529 529 A N 1.718 124.576 122.820 0.064 0.000 2.076 529 A HA 0.410 4.731 4.320 0.001 0.000 0.220 529 A C 2.257 179.838 177.584 -0.006 0.000 1.160 529 A CA 1.179 53.244 52.037 0.047 0.000 0.653 529 A CB -1.479 17.555 19.000 0.057 0.000 0.801 529 A HN 1.655 nan 8.150 nan 0.000 0.455 530 G N -1.662 107.135 108.800 -0.006 0.000 2.160 530 G HA2 -0.234 3.727 3.960 0.001 0.000 0.251 530 G HA3 -0.234 3.727 3.960 0.001 0.000 0.251 530 G C 0.006 174.877 174.900 -0.048 0.000 1.008 530 G CA 0.532 45.619 45.100 -0.021 0.000 0.724 530 G HN 0.603 nan 8.290 nan 0.000 0.514 531 I N -0.065 120.466 120.570 -0.065 0.000 2.608 531 I HA 0.352 4.522 4.170 0.001 0.000 0.295 531 I C -2.345 173.729 176.117 -0.072 0.000 1.049 531 I CA -2.815 58.422 61.300 -0.104 0.000 1.063 531 I CB 2.468 40.351 38.000 -0.196 0.000 1.248 531 I HN -0.207 nan 8.210 nan 0.000 0.424 532 P HA 0.094 nan 4.420 nan 0.000 0.265 532 P C -0.940 176.352 177.300 -0.013 0.000 1.193 532 P CA 0.125 63.211 63.100 -0.023 0.000 0.765 532 P CB 0.278 31.962 31.700 -0.027 0.000 0.823 533 I N 3.465 124.072 120.570 0.062 0.000 2.412 533 I HA 0.365 4.536 4.170 0.001 0.000 0.296 533 I C 0.856 177.086 176.117 0.188 0.000 0.987 533 I CA -0.651 60.723 61.300 0.123 0.000 1.180 533 I CB 1.186 39.290 38.000 0.174 0.000 1.340 533 I HN 0.506 nan 8.210 nan 0.000 0.455 534 E N 3.091 123.388 120.200 0.162 0.000 2.408 534 E HA 0.637 4.988 4.350 0.001 0.000 0.275 534 E C -1.376 175.320 176.600 0.160 0.000 0.935 534 E CA -0.855 55.630 56.400 0.143 0.000 0.775 534 E CB 2.064 31.785 29.700 0.035 0.000 1.277 534 E HN 0.349 nan 8.360 nan 0.000 0.455 535 T N 1.251 115.878 114.554 0.122 0.000 2.815 535 T HA 0.274 4.624 4.350 0.001 0.000 0.289 535 T C -0.486 174.231 174.700 0.028 0.000 1.000 535 T CA -0.612 61.529 62.100 0.069 0.000 0.958 535 T CB 1.144 70.000 68.868 -0.020 0.000 0.944 535 T HN 0.334 nan 8.240 nan 0.000 0.442 536 V N 5.174 125.105 119.914 0.029 0.000 2.415 536 V HA 0.070 4.191 4.120 0.001 0.000 0.267 536 V C 1.555 177.637 176.094 -0.021 0.000 1.042 536 V CA -0.031 62.296 62.300 0.046 0.000 1.000 536 V CB 0.621 32.453 31.823 0.014 0.000 1.015 536 V HN 0.809 nan 8.190 nan 0.000 0.478 537 V N 3.040 122.884 119.914 -0.117 0.000 2.323 537 V HA -0.014 4.107 4.120 0.001 0.000 0.244 537 V C 0.746 176.753 176.094 -0.144 0.000 1.041 537 V CA 1.857 63.942 62.300 -0.359 0.000 1.025 537 V CB -0.202 31.370 31.823 -0.418 0.000 0.656 537 V HN 1.027 nan 8.190 nan 0.000 0.451 538 D N -2.139 118.216 120.400 -0.074 0.000 2.653 538 D HA 0.283 4.923 4.640 0.001 0.000 0.258 538 D C -1.696 174.614 176.300 0.018 0.000 1.252 538 D CA -0.523 53.485 54.000 0.013 0.000 0.777 538 D CB 1.548 42.398 40.800 0.082 0.000 1.339 538 D HN 0.027 nan 8.370 nan 0.000 0.422 539 N N 1.450 120.181 118.700 0.051 0.000 2.827 539 N HA 0.175 4.916 4.740 0.001 0.000 0.240 539 N C -1.535 174.061 175.510 0.144 0.000 1.352 539 N CA -0.393 52.694 53.050 0.061 0.000 0.760 539 N CB 0.724 39.212 38.487 0.001 0.000 1.426 539 N HN 0.195 nan 8.380 nan 0.000 0.561 540 R N 1.203 121.772 120.500 0.116 0.000 2.368 540 R HA 0.285 4.625 4.340 0.001 0.000 0.302 540 R C 0.123 176.459 176.300 0.060 0.000 1.002 540 R CA -0.635 55.515 56.100 0.084 0.000 0.929 540 R CB 1.326 31.619 30.300 -0.012 0.000 1.073 540 R HN 0.399 nan 8.270 nan 0.000 0.464 541 K N 3.098 123.475 120.400 -0.040 0.000 2.322 541 K HA 0.207 4.528 4.320 0.001 0.000 0.283 541 K C -0.178 176.233 176.600 -0.317 0.000 1.042 541 K CA -0.168 55.855 56.287 -0.440 0.000 0.958 541 K CB 0.494 32.793 32.500 -0.335 0.000 0.984 541 K HN 0.408 nan 8.250 nan 0.000 0.473 542 L N 2.511 123.520 121.223 -0.356 0.000 2.635 542 L HA 0.309 4.650 4.340 0.001 0.000 0.250 542 L C 0.593 177.351 176.870 -0.187 0.000 1.117 542 L CA -1.301 53.402 54.840 -0.228 0.000 0.834 542 L CB 0.418 42.351 42.059 -0.210 0.000 1.544 542 L HN 0.825 nan 8.230 nan 0.000 0.511 543 N N -0.406 118.218 118.700 -0.127 0.000 2.347 543 N HA 0.057 4.798 4.740 0.001 0.000 0.253 543 N C 0.891 176.351 175.510 -0.084 0.000 1.274 543 N CA 0.063 53.061 53.050 -0.087 0.000 0.941 543 N CB 0.099 38.556 38.487 -0.051 0.000 1.200 543 N HN 0.633 nan 8.380 nan 0.000 0.514 544 G N -1.240 107.528 108.800 -0.054 0.000 2.475 544 G HA2 -0.240 3.721 3.960 0.001 0.000 0.220 544 G HA3 -0.240 3.721 3.960 0.001 0.000 0.220 544 G C 1.184 176.058 174.900 -0.042 0.000 1.125 544 G CA 1.209 46.283 45.100 -0.044 0.000 0.755 544 G HN 0.820 nan 8.290 nan 0.000 0.565 545 A N -0.497 122.301 122.820 -0.036 0.000 2.132 545 A HA 0.464 4.784 4.320 0.001 0.000 0.213 545 A C 2.144 179.703 177.584 -0.042 0.000 1.154 545 A CA 1.291 53.310 52.037 -0.029 0.000 0.753 545 A CB -0.385 18.606 19.000 -0.015 0.000 0.826 545 A HN 1.616 nan 8.150 nan 0.000 0.469 546 G N 0.869 109.630 108.800 -0.066 0.000 2.179 546 G HA2 -0.304 3.656 3.960 0.001 0.000 0.257 546 G HA3 -0.304 3.656 3.960 0.001 0.000 0.257 546 G C 0.122 174.978 174.900 -0.073 0.000 1.010 546 G CA 0.820 45.867 45.100 -0.089 0.000 0.736 546 G HN 0.869 nan 8.290 nan 0.000 0.513 547 D N -0.166 120.207 120.400 -0.046 0.000 2.427 547 D HA 0.063 4.703 4.640 0.001 0.000 0.224 547 D C 0.433 176.732 176.300 -0.002 0.000 1.157 547 D CA -0.636 53.355 54.000 -0.015 0.000 0.828 547 D CB -0.618 40.186 40.800 0.007 0.000 0.974 547 D HN 0.435 nan 8.370 nan 0.000 0.498 548 N N 0.806 119.482 118.700 -0.040 0.000 2.356 548 N HA 0.170 4.911 4.740 0.001 0.000 0.252 548 N C 0.103 175.646 175.510 0.055 0.000 1.241 548 N CA 0.211 53.252 53.050 -0.015 0.000 0.861 548 N CB 0.861 39.304 38.487 -0.073 0.000 1.075 548 N HN 0.284 nan 8.380 nan 0.000 0.461 549 A N 2.835 125.737 122.820 0.136 0.000 2.340 549 A HA 0.467 4.787 4.320 0.001 0.000 0.268 549 A C -0.560 177.266 177.584 0.403 0.000 1.100 549 A CA -0.339 51.853 52.037 0.257 0.000 0.803 549 A CB 0.386 19.512 19.000 0.209 0.000 1.043 549 A HN 0.796 nan 8.150 nan 0.000 0.488 550 W N 0.237 121.594 121.300 0.095 0.000 3.296 550 W HA 0.667 5.328 4.660 0.001 0.000 0.314 550 W C -1.631 174.953 176.519 0.109 0.000 1.238 550 W CA -0.895 56.523 57.345 0.123 0.000 1.193 550 W CB 0.015 29.513 29.460 0.063 0.000 1.383 550 W HN 0.616 nan 8.180 nan 0.000 0.545 551 T N 1.927 116.579 114.554 0.162 0.000 2.907 551 T HA 0.817 5.167 4.350 0.001 0.000 0.292 551 T C -0.916 173.614 174.700 -0.283 0.000 1.043 551 T CA -0.423 61.618 62.100 -0.098 0.000 1.003 551 T CB 1.957 70.875 68.868 0.083 0.000 1.084 551 T HN 0.758 nan 8.240 nan 0.000 0.483 552 A N 1.833 124.340 122.820 -0.521 0.000 2.375 552 A HA 0.684 5.005 4.320 0.001 0.000 0.295 552 A C 0.309 177.408 177.584 -0.808 0.000 1.066 552 A CA -0.806 50.848 52.037 -0.639 0.000 0.722 552 A CB 0.048 18.742 19.000 -0.510 0.000 1.206 552 A HN 1.008 nan 8.150 nan 0.000 0.435 553 N N 1.370 119.260 118.700 -1.349 0.000 2.708 553 N HA -0.274 4.466 4.740 0.001 0.000 0.249 553 N C 0.993 176.186 175.510 -0.529 0.000 1.097 553 N CA 1.328 53.781 53.050 -0.996 0.000 0.710 553 N CB -0.589 37.639 38.487 -0.432 0.000 1.032 553 N HN 2.085 nan 8.380 nan 0.000 0.551 554 G N -1.669 106.745 108.800 -0.642 0.000 2.199 554 G HA2 -0.206 3.755 3.960 0.001 0.000 0.254 554 G HA3 -0.206 3.755 3.960 0.001 0.000 0.254 554 G C 0.081 174.929 174.900 -0.088 0.000 0.982 554 G CA 0.379 45.462 45.100 -0.029 0.000 0.632 554 G HN 0.889 nan 8.290 nan 0.000 0.529 555 A N 0.209 122.900 122.820 -0.215 0.000 2.292 555 A HA 0.927 5.247 4.320 0.001 0.000 0.319 555 A C 0.663 178.128 177.584 -0.198 0.000 1.206 555 A CA 0.785 52.719 52.037 -0.172 0.000 0.835 555 A CB 0.976 19.860 19.000 -0.194 0.000 1.164 555 A HN 2.038 nan 8.150 nan 0.000 0.505 556 A N 2.634 125.379 122.820 -0.125 0.000 2.477 556 A HA 0.546 4.867 4.320 0.001 0.000 0.246 556 A C -0.031 177.429 177.584 -0.207 0.000 1.078 556 A CA 0.094 52.060 52.037 -0.118 0.000 0.770 556 A CB -0.186 18.793 19.000 -0.035 0.000 1.011 556 A HN 0.833 nan 8.150 nan 0.000 0.494 557 L N 1.753 122.779 121.223 -0.329 0.000 2.334 557 L HA 0.451 4.791 4.340 0.001 0.000 0.272 557 L C 0.991 177.819 176.870 -0.070 0.000 1.020 557 L CA -0.651 53.932 54.840 -0.428 0.000 0.812 557 L CB 1.745 43.072 42.059 -1.219 0.000 1.264 557 L HN 0.770 nan 8.230 nan 0.000 0.439 558 S N -0.097 115.622 115.700 0.031 0.000 2.563 558 S HA 0.021 4.491 4.470 0.001 0.000 0.284 558 S C 0.885 175.688 174.600 0.338 0.000 1.331 558 S CA 0.220 58.506 58.200 0.144 0.000 1.047 558 S CB 0.479 63.738 63.200 0.098 0.000 0.859 558 S HN 0.804 nan 8.310 nan 0.000 0.514 559 T N 1.492 116.180 114.554 0.222 0.000 3.085 559 T HA 0.374 4.725 4.350 0.001 0.000 0.264 559 T C 0.775 175.522 174.700 0.078 0.000 1.019 559 T CA 0.082 62.292 62.100 0.184 0.000 0.910 559 T CB -0.159 68.796 68.868 0.144 0.000 1.059 559 T HN 0.715 nan 8.240 nan 0.000 0.542 560 G N 1.603 110.449 108.800 0.076 0.000 2.441 560 G HA2 0.522 4.483 3.960 0.001 0.000 0.243 560 G HA3 0.522 4.483 3.960 0.001 0.000 0.243 560 G C -0.178 174.734 174.900 0.020 0.000 1.281 560 G CA -0.653 44.470 45.100 0.039 0.000 0.854 560 G HN 0.512 nan 8.290 nan 0.000 0.560 561 L N 1.043 122.267 121.223 0.003 0.000 2.436 561 L HA 0.406 4.746 4.340 0.001 0.000 0.265 561 L C 1.603 178.476 176.870 0.005 0.000 1.168 561 L CA 0.935 55.771 54.840 -0.007 0.000 0.815 561 L CB 1.050 43.101 42.059 -0.013 0.000 1.109 561 L HN 0.953 nan 8.230 nan 0.000 0.462 562 G N 2.062 110.865 108.800 0.006 0.000 2.143 562 G HA2 -0.216 3.745 3.960 0.001 0.000 0.248 562 G HA3 -0.216 3.745 3.960 0.001 0.000 0.248 562 G C -0.230 174.682 174.900 0.019 0.000 0.991 562 G CA -0.020 45.088 45.100 0.012 0.000 0.689 562 G HN 0.361 nan 8.290 nan 0.000 0.522 563 V N 0.579 120.508 119.914 0.025 0.000 2.398 563 V HA 0.796 4.916 4.120 0.001 0.000 0.286 563 V C 0.588 176.707 176.094 0.041 0.000 1.026 563 V CA -0.266 62.054 62.300 0.034 0.000 0.868 563 V CB 1.520 33.373 31.823 0.050 0.000 0.982 563 V HN 1.069 nan 8.190 nan 0.000 0.443 564 A N 5.500 128.339 122.820 0.031 0.000 2.305 564 A HA 0.891 5.211 4.320 0.001 0.000 0.322 564 A C -0.412 177.173 177.584 0.001 0.000 1.187 564 A CA -0.551 51.500 52.037 0.024 0.000 0.825 564 A CB 1.045 20.064 19.000 0.030 0.000 1.164 564 A HN 0.935 nan 8.150 nan 0.000 0.498 565 Q N 0.406 120.192 119.800 -0.023 0.000 2.386 565 Q HA 0.551 4.891 4.340 0.001 0.000 0.274 565 Q C -1.277 174.647 176.000 -0.127 0.000 1.011 565 Q CA -0.739 55.031 55.803 -0.055 0.000 0.867 565 Q CB 1.415 30.142 28.738 -0.019 0.000 1.409 565 Q HN 0.388 nan 8.270 nan 0.000 0.395 566 T N 2.905 117.370 114.554 -0.149 0.000 2.767 566 T HA 0.462 4.812 4.350 0.001 0.000 0.288 566 T C -0.392 174.189 174.700 -0.198 0.000 0.963 566 T CA -0.506 61.473 62.100 -0.201 0.000 1.019 566 T CB 0.231 68.992 68.868 -0.179 0.000 0.923 566 T HN 0.358 nan 8.240 nan 0.000 0.468 567 L N 4.637 125.716 121.223 -0.241 0.000 2.276 567 L HA 0.453 4.794 4.340 0.001 0.000 0.286 567 L C 0.939 177.662 176.870 -0.245 0.000 1.024 567 L CA -0.911 53.780 54.840 -0.249 0.000 0.826 567 L CB 0.896 42.780 42.059 -0.291 0.000 1.211 567 L HN 0.667 nan 8.230 nan 0.000 0.422 568 T N -1.390 113.044 114.554 -0.201 0.000 2.902 568 T HA 0.551 4.902 4.350 0.001 0.000 0.283 568 T C 0.940 175.543 174.700 -0.162 0.000 1.009 568 T CA -0.006 61.988 62.100 -0.176 0.000 1.051 568 T CB 1.774 70.560 68.868 -0.135 0.000 0.999 568 T HN 0.891 nan 8.240 nan 0.000 0.474 569 G N 1.262 109.975 108.800 -0.145 0.000 2.323 569 G HA2 -0.169 3.792 3.960 0.001 0.000 0.292 569 G HA3 -0.169 3.792 3.960 0.001 0.000 0.292 569 G C -0.037 174.791 174.900 -0.120 0.000 1.040 569 G CA 0.028 45.062 45.100 -0.110 0.000 0.942 569 G HN 1.096 nan 8.290 nan 0.000 0.506 570 V N -0.306 119.500 119.914 -0.179 0.000 2.498 570 V HA 0.253 4.373 4.120 0.001 0.000 0.279 570 V C 1.294 177.371 176.094 -0.028 0.000 1.048 570 V CA 0.451 62.644 62.300 -0.178 0.000 0.967 570 V CB 1.432 33.073 31.823 -0.303 0.000 0.988 570 V HN 0.510 nan 8.190 nan 0.000 0.473 571 N N 3.290 122.053 118.700 0.105 0.000 2.482 571 N HA 0.175 4.915 4.740 0.001 0.000 0.179 571 N C -0.110 175.813 175.510 0.689 0.000 1.039 571 N CA 0.191 53.462 53.050 0.369 0.000 0.884 571 N CB 0.537 39.268 38.487 0.406 0.000 1.113 571 N HN 0.803 nan 8.380 nan 0.000 0.440 572 W N 0.082 121.626 121.300 0.407 0.000 3.213 572 W HA 0.679 5.340 4.660 0.001 0.000 0.318 572 W C -2.087 174.650 176.519 0.364 0.000 1.248 572 W CA -0.698 56.919 57.345 0.454 0.000 1.187 572 W CB 0.426 30.116 29.460 0.385 0.000 1.403 572 W HN -0.439 nan 8.180 nan 0.000 0.556 573 V N 1.626 121.968 119.914 0.713 0.000 2.925 573 V HA 0.400 4.520 4.120 0.001 0.000 0.311 573 V C -1.318 175.241 176.094 0.775 0.000 1.104 573 V CA -0.576 62.035 62.300 0.518 0.000 0.954 573 V CB 2.118 34.199 31.823 0.429 0.000 1.022 573 V HN 0.717 nan 8.190 nan 0.000 0.427 574 H N 3.185 122.586 119.070 0.551 0.000 2.600 574 H HA 0.799 5.355 4.556 0.001 0.000 0.357 574 H C -1.644 173.960 175.328 0.461 0.000 1.106 574 H CA -0.622 55.726 56.048 0.499 0.000 1.193 574 H CB 1.810 31.865 29.762 0.489 0.000 1.594 574 H HN 0.555 nan 8.280 nan 0.000 0.526 575 L N 4.444 125.568 121.223 -0.165 0.000 2.376 575 L HA 0.733 5.073 4.340 0.001 0.000 0.275 575 L C -0.808 175.908 176.870 -0.256 0.000 0.987 575 L CA -0.438 54.398 54.840 -0.007 0.000 0.828 575 L CB 1.211 43.361 42.059 0.151 0.000 1.249 575 L HN 0.841 nan 8.230 nan 0.000 0.409 576 A N 3.520 126.316 122.820 -0.041 0.000 2.440 576 A HA 0.618 4.939 4.320 0.001 0.000 0.251 576 A C 0.661 178.238 177.584 -0.012 0.000 1.089 576 A CA 0.325 52.378 52.037 0.026 0.000 0.779 576 A CB -0.070 19.014 19.000 0.141 0.000 1.022 576 A HN 0.962 nan 8.150 nan 0.000 0.492 577 G N 0.370 109.167 108.800 -0.005 0.000 2.563 577 G HA2 0.306 4.267 3.960 0.001 0.000 0.283 577 G HA3 0.306 4.267 3.960 0.001 0.000 0.283 577 G C 0.453 175.347 174.900 -0.009 0.000 1.309 577 G CA -0.460 44.629 45.100 -0.019 0.000 1.022 577 G HN 0.693 nan 8.290 nan 0.000 0.501 578 N N -0.631 118.056 118.700 -0.022 0.000 2.467 578 N HA 0.024 4.765 4.740 0.001 0.000 0.184 578 N C 0.981 176.497 175.510 0.010 0.000 1.106 578 N CA 0.754 53.794 53.050 -0.017 0.000 0.892 578 N CB 0.197 38.660 38.487 -0.041 0.000 0.969 578 N HN 0.617 nan 8.380 nan 0.000 0.454 579 T N -3.761 110.808 114.554 0.025 0.000 2.940 579 T HA 0.673 5.024 4.350 0.001 0.000 0.288 579 T C 1.339 176.068 174.700 0.049 0.000 1.033 579 T CA -0.509 61.616 62.100 0.042 0.000 1.033 579 T CB 2.232 71.133 68.868 0.056 0.000 1.079 579 T HN -0.042 nan 8.240 nan 0.000 0.496 580 A N 1.449 124.299 122.820 0.051 0.000 1.892 580 A HA 0.043 4.363 4.320 0.001 0.000 0.218 580 A C 0.979 178.601 177.584 0.063 0.000 1.188 580 A CA 1.792 53.861 52.037 0.054 0.000 0.631 580 A CB -0.953 18.077 19.000 0.049 0.000 0.822 580 A HN 1.045 nan 8.150 nan 0.000 0.447 581 D N -5.814 114.626 120.400 0.066 0.000 2.596 581 D HA 0.415 5.056 4.640 0.001 0.000 0.262 581 D C 0.418 176.766 176.300 0.081 0.000 1.210 581 D CA -0.027 54.018 54.000 0.074 0.000 0.873 581 D CB 0.901 41.743 40.800 0.070 0.000 1.408 581 D HN 0.999 nan 8.370 nan 0.000 0.441 582 G N -0.295 108.558 108.800 0.089 0.000 2.143 582 G HA2 -0.274 3.687 3.960 0.001 0.000 0.249 582 G HA3 -0.274 3.687 3.960 0.001 0.000 0.249 582 G C 0.469 175.429 174.900 0.100 0.000 0.981 582 G CA 0.903 46.067 45.100 0.107 0.000 0.665 582 G HN 1.331 nan 8.290 nan 0.000 0.528 583 S N -1.294 114.446 115.700 0.067 0.000 2.993 583 S HA 0.377 4.848 4.470 0.001 0.000 0.257 583 S C -0.255 174.341 174.600 -0.008 0.000 0.997 583 S CA 0.207 58.427 58.200 0.033 0.000 1.191 583 S CB 1.007 64.222 63.200 0.025 0.000 1.143 583 S HN 0.126 nan 8.310 nan 0.000 0.655 584 D N 2.032 122.435 120.400 0.004 0.000 2.339 584 D HA 0.552 5.193 4.640 0.001 0.000 0.245 584 D C -0.192 176.034 176.300 -0.123 0.000 1.115 584 D CA 0.144 54.114 54.000 -0.049 0.000 0.917 584 D CB 0.867 41.717 40.800 0.083 0.000 1.192 584 D HN 0.385 nan 8.370 nan 0.000 0.428 585 I N 0.366 120.792 120.570 -0.241 0.000 2.569 585 I HA 0.458 4.629 4.170 0.001 0.000 0.290 585 I C 0.404 176.287 176.117 -0.390 0.000 1.088 585 I CA -0.886 60.221 61.300 -0.320 0.000 1.047 585 I CB 2.354 40.150 38.000 -0.340 0.000 1.237 585 I HN 0.248 nan 8.210 nan 0.000 0.421 586 G N 4.384 112.958 108.800 -0.377 0.000 2.432 586 G HA2 0.711 4.671 3.960 0.001 0.000 0.331 586 G HA3 0.711 4.671 3.960 0.001 0.000 0.331 586 G C -1.775 172.872 174.900 -0.421 0.000 1.170 586 G CA -0.325 44.678 45.100 -0.161 0.000 0.943 586 G HN 0.426 nan 8.290 nan 0.000 0.483 587 Y N 0.233 120.630 120.300 0.163 0.000 2.346 587 Y HA 0.400 4.951 4.550 0.001 0.000 0.332 587 Y C -0.894 175.029 175.900 0.038 0.000 0.985 587 Y CA -1.078 57.031 58.100 0.014 0.000 1.112 587 Y CB 2.030 40.489 38.460 -0.002 0.000 1.170 587 Y HN 0.602 nan 8.280 nan 0.000 0.447 588 Y N 3.977 124.214 120.300 -0.105 0.000 2.352 588 Y HA 0.675 5.226 4.550 0.001 0.000 0.339 588 Y C -1.885 173.883 175.900 -0.219 0.000 0.992 588 Y CA -2.539 55.578 58.100 0.028 0.000 1.100 588 Y CB 0.742 39.302 38.460 0.166 0.000 1.192 588 Y HN 0.481 nan 8.280 nan 0.000 0.458 589 F N 7.555 127.341 119.950 -0.274 0.000 2.366 589 F HA 0.463 4.990 4.527 0.001 0.000 0.366 589 F C -2.363 173.111 175.800 -0.543 0.000 1.096 589 F CA -2.610 55.220 58.000 -0.283 0.000 1.060 589 F CB 1.104 40.087 39.000 -0.029 0.000 1.282 589 F HN 0.418 nan 8.300 nan 0.000 0.450 590 P HA 0.153 nan 4.420 nan 0.000 0.263 590 P C 0.854 178.146 177.300 -0.014 0.000 1.195 590 P CA 0.834 63.777 63.100 -0.261 0.000 0.762 590 P CB 0.728 32.372 31.700 -0.093 0.000 0.799 591 G N 2.477 111.307 108.800 0.050 0.000 2.159 591 G HA2 0.013 3.974 3.960 0.001 0.000 0.256 591 G HA3 0.013 3.974 3.960 0.001 0.000 0.256 591 G C 0.515 175.453 174.900 0.064 0.000 0.977 591 G CA 0.172 45.310 45.100 0.064 0.000 0.652 591 G HN 1.023 nan 8.290 nan 0.000 0.531 592 G N -1.373 107.477 108.800 0.084 0.000 2.731 592 G HA2 0.471 4.432 3.960 0.001 0.000 0.686 592 G HA3 0.471 4.432 3.960 0.001 0.000 0.686 592 G C -0.009 174.892 174.900 0.001 0.000 1.395 592 G CA 0.777 45.911 45.100 0.056 0.000 0.870 592 G HN 2.489 nan 8.290 nan 0.000 0.591 593 A N 0.264 123.005 122.820 -0.132 0.000 2.609 593 A HA 0.972 5.292 4.320 0.001 0.000 0.291 593 A C -0.151 177.240 177.584 -0.322 0.000 1.096 593 A CA 0.324 52.215 52.037 -0.244 0.000 0.684 593 A CB 1.712 20.457 19.000 -0.424 0.000 1.282 593 A HN 1.701 nan 8.150 nan 0.000 0.412 594 T N 1.342 115.721 114.554 -0.292 0.000 2.770 594 T HA 0.567 4.918 4.350 0.001 0.000 0.283 594 T C -0.971 173.506 174.700 -0.372 0.000 0.988 594 T CA -0.087 61.839 62.100 -0.290 0.000 0.957 594 T CB 0.468 69.213 68.868 -0.206 0.000 0.930 594 T HN 0.367 nan 8.240 nan 0.000 0.443 595 L N 3.863 124.837 121.223 -0.414 0.000 2.317 595 L HA 0.460 4.801 4.340 0.001 0.000 0.281 595 L C -0.000 176.562 176.870 -0.512 0.000 1.024 595 L CA -0.467 54.090 54.840 -0.471 0.000 0.810 595 L CB 1.752 43.541 42.059 -0.450 0.000 1.240 595 L HN 0.464 nan 8.230 nan 0.000 0.427 596 Q N 2.406 121.735 119.800 -0.785 0.000 2.314 596 Q HA 0.611 4.952 4.340 0.001 0.000 0.259 596 Q C -0.188 175.090 176.000 -1.204 0.000 0.951 596 Q CA -0.310 54.865 55.803 -1.047 0.000 0.909 596 Q CB 1.867 29.667 28.738 -1.563 0.000 1.236 596 Q HN 0.753 nan 8.270 nan 0.000 0.444 597 T N -0.757 113.391 114.554 -0.676 0.000 2.883 597 T HA 0.846 5.196 4.350 0.001 0.000 0.296 597 T C -0.959 173.658 174.700 -0.138 0.000 1.117 597 T CA -0.886 60.994 62.100 -0.366 0.000 1.006 597 T CB 2.377 71.213 68.868 -0.052 0.000 1.191 597 T HN 0.614 nan 8.240 nan 0.000 0.508 598 K N 0.414 120.811 120.400 -0.005 0.000 2.572 598 K HA 0.549 4.870 4.320 0.001 0.000 0.263 598 K C -1.515 175.083 176.600 -0.004 0.000 0.932 598 K CA -1.041 55.272 56.287 0.044 0.000 0.838 598 K CB 1.977 34.557 32.500 0.132 0.000 1.366 598 K HN 0.752 nan 8.250 nan 0.000 0.425 599 R N 2.405 122.888 120.500 -0.029 0.000 2.360 599 R HA 0.241 4.581 4.340 0.001 0.000 0.318 599 R C -1.243 175.047 176.300 -0.017 0.000 0.950 599 R CA -0.217 55.838 56.100 -0.075 0.000 0.837 599 R CB 1.204 31.418 30.300 -0.143 0.000 1.165 599 R HN 0.939 nan 8.270 nan 0.000 0.458 600 E N 2.838 123.044 120.200 0.010 0.000 2.429 600 E HA 0.598 4.949 4.350 0.001 0.000 0.276 600 E C -1.705 174.920 176.600 0.042 0.000 0.953 600 E CA -1.306 55.108 56.400 0.024 0.000 0.787 600 E CB 1.707 31.426 29.700 0.032 0.000 1.307 600 E HN 0.470 nan 8.360 nan 0.000 0.458 601 A N 1.960 124.796 122.820 0.027 0.000 2.260 601 A HA 0.537 4.858 4.320 0.001 0.000 0.308 601 A C -0.449 177.163 177.584 0.046 0.000 1.254 601 A CA -0.663 51.390 52.037 0.027 0.000 0.874 601 A CB 0.378 19.379 19.000 0.002 0.000 1.153 601 A HN 0.518 nan 8.150 nan 0.000 0.527 602 R N 1.421 121.974 120.500 0.087 0.000 2.514 602 R HA 0.617 4.958 4.340 0.001 0.000 0.301 602 R C -0.818 175.499 176.300 0.028 0.000 0.962 602 R CA -0.432 55.699 56.100 0.051 0.000 0.882 602 R CB 2.119 32.439 30.300 0.035 0.000 1.143 602 R HN 0.665 nan 8.270 nan 0.000 0.452 603 T N 0.631 115.184 114.554 -0.002 0.000 2.888 603 T HA 0.733 5.083 4.350 0.001 0.000 0.284 603 T C -0.173 174.506 174.700 -0.034 0.000 1.017 603 T CA -0.647 61.447 62.100 -0.011 0.000 1.022 603 T CB 1.972 70.838 68.868 -0.003 0.000 1.013 603 T HN 0.797 nan 8.240 nan 0.000 0.465 604 G N 0.706 109.477 108.800 -0.048 0.000 2.550 604 G HA2 0.667 4.627 3.960 0.001 0.000 0.293 604 G HA3 0.667 4.627 3.960 0.001 0.000 0.293 604 G C -1.089 173.767 174.900 -0.073 0.000 1.402 604 G CA -0.575 44.480 45.100 -0.076 0.000 0.784 604 G HN 0.883 nan 8.290 nan 0.000 0.482 605 T N -3.064 111.443 114.554 -0.077 0.000 2.909 605 T HA 0.402 4.752 4.350 0.001 0.000 0.299 605 T C 0.150 174.832 174.700 -0.030 0.000 1.073 605 T CA -0.579 61.513 62.100 -0.014 0.000 0.999 605 T CB 1.776 70.675 68.868 0.053 0.000 1.098 605 T HN 0.541 nan 8.240 nan 0.000 0.477 606 W N 1.037 122.356 121.300 0.031 0.000 2.392 606 W HA 0.069 4.730 4.660 0.001 0.000 0.279 606 W C 2.478 179.002 176.519 0.009 0.000 1.225 606 W CA 0.781 58.142 57.345 0.027 0.000 1.233 606 W CB -0.087 29.396 29.460 0.037 0.000 1.122 606 W HN 0.720 nan 8.180 nan 0.000 0.561 607 K N 0.851 121.380 120.400 0.215 0.000 2.152 607 K HA -0.233 4.088 4.320 0.001 0.000 0.206 607 K C 1.758 178.400 176.600 0.070 0.000 1.048 607 K CA 1.722 58.084 56.287 0.125 0.000 0.933 607 K CB -0.359 32.197 32.500 0.093 0.000 0.721 607 K HN 0.234 nan 8.250 nan 0.000 0.447 608 Q N -0.306 119.516 119.800 0.038 0.000 2.124 608 Q HA -0.070 4.271 4.340 0.001 0.000 0.202 608 Q C 1.812 177.795 176.000 -0.028 0.000 0.977 608 Q CA 1.696 57.497 55.803 -0.003 0.000 0.850 608 Q CB -0.108 28.610 28.738 -0.033 0.000 0.901 608 Q HN 0.630 nan 8.270 nan 0.000 0.429 609 I N -4.017 116.537 120.570 -0.028 0.000 4.018 609 I HA 0.283 4.453 4.170 0.001 0.000 0.337 609 I C -0.030 176.084 176.117 -0.004 0.000 1.327 609 I CA -0.106 61.156 61.300 -0.063 0.000 1.100 609 I CB 0.481 38.412 38.000 -0.115 0.000 1.025 609 I HN -0.098 nan 8.210 nan 0.000 0.396 610 N N 1.950 120.685 118.700 0.059 0.000 2.675 610 N HA 0.192 4.932 4.740 0.001 0.000 0.254 610 N C -0.582 174.966 175.510 0.065 0.000 1.224 610 N CA -0.321 52.769 53.050 0.066 0.000 0.777 610 N CB 0.488 39.048 38.487 0.122 0.000 1.256 610 N HN 0.062 nan 8.380 nan 0.000 0.531 611 N N 1.697 120.420 118.700 0.039 0.000 3.091 611 N HA 0.158 4.898 4.740 0.001 0.000 0.301 611 N C -0.814 174.720 175.510 0.039 0.000 1.325 611 N CA 0.109 53.183 53.050 0.040 0.000 1.143 611 N CB 0.023 38.528 38.487 0.031 0.000 1.450 611 N HN 0.429 nan 8.380 nan 0.000 0.542 612 R N 0.313 120.839 120.500 0.043 0.000 2.732 612 R HA 0.350 4.690 4.340 0.001 0.000 0.278 612 R C -1.336 174.980 176.300 0.026 0.000 0.976 612 R CA -1.864 54.258 56.100 0.036 0.000 0.963 612 R CB 1.193 31.513 30.300 0.033 0.000 1.150 612 R HN 0.163 nan 8.270 nan 0.000 0.478 613 P HA -0.297 nan 4.420 nan 0.000 0.216 613 P C 0.821 178.112 177.300 -0.016 0.000 1.167 613 P CA 1.888 64.984 63.100 -0.007 0.000 0.914 613 P CB 0.045 31.731 31.700 -0.024 0.000 0.793 614 A N -0.808 121.993 122.820 -0.031 0.000 2.225 614 A HA -0.016 4.305 4.320 0.001 0.000 0.215 614 A C 1.064 178.641 177.584 -0.010 0.000 1.164 614 A CA 0.883 52.892 52.037 -0.046 0.000 0.710 614 A CB -1.481 17.464 19.000 -0.091 0.000 0.780 614 A HN 0.275 nan 8.150 nan 0.000 0.473 615 T N 3.174 117.744 114.554 0.026 0.000 2.851 615 T HA 0.380 4.730 4.350 0.001 0.000 0.298 615 T C -2.440 172.298 174.700 0.064 0.000 0.977 615 T CA -0.802 61.333 62.100 0.059 0.000 1.126 615 T CB 1.002 69.932 68.868 0.102 0.000 0.916 615 T HN 0.246 nan 8.240 nan 0.000 0.529 616 P HA 0.143 nan 4.420 nan 0.000 0.271 616 P C 0.257 177.636 177.300 0.132 0.000 1.216 616 P CA -0.355 62.794 63.100 0.081 0.000 0.771 616 P CB 0.800 32.542 31.700 0.069 0.000 0.864 617 S N 0.234 115.992 115.700 0.097 0.000 2.614 617 S HA 0.072 4.543 4.470 0.001 0.000 0.230 617 S C 0.582 175.238 174.600 0.092 0.000 0.952 617 S CA -0.312 57.945 58.200 0.094 0.000 0.949 617 S CB -0.836 62.402 63.200 0.063 0.000 0.786 617 S HN 0.373 nan 8.310 nan 0.000 0.478 618 T N 3.630 118.249 114.554 0.108 0.000 2.902 618 T HA 0.473 4.823 4.350 0.001 0.000 0.301 618 T C 0.512 175.273 174.700 0.103 0.000 1.012 618 T CA 0.201 62.359 62.100 0.097 0.000 1.151 618 T CB 0.661 69.591 68.868 0.103 0.000 0.946 618 T HN 0.574 nan 8.240 nan 0.000 0.542 619 A N 3.159 126.021 122.820 0.069 0.000 2.354 619 A HA 0.642 4.962 4.320 0.001 0.000 0.269 619 A C 0.209 177.827 177.584 0.055 0.000 1.109 619 A CA -0.634 51.433 52.037 0.051 0.000 0.800 619 A CB 0.227 19.247 19.000 0.033 0.000 1.045 619 A HN 0.921 nan 8.150 nan 0.000 0.489 620 V N -0.701 119.236 119.914 0.039 0.000 3.007 620 V HA 0.898 5.019 4.120 0.001 0.000 0.311 620 V C -0.391 175.710 176.094 0.013 0.000 1.120 620 V CA -0.486 61.838 62.300 0.041 0.000 0.980 620 V CB 1.684 33.549 31.823 0.070 0.000 1.033 620 V HN 0.794 nan 8.190 nan 0.000 0.429 621 T N 3.828 118.390 114.554 0.013 0.000 2.841 621 T HA 0.758 5.109 4.350 0.001 0.000 0.285 621 T C -0.683 174.007 174.700 -0.017 0.000 0.991 621 T CA -0.643 61.458 62.100 0.002 0.000 0.966 621 T CB 1.476 70.345 68.868 0.002 0.000 0.962 621 T HN 0.776 nan 8.240 nan 0.000 0.438 622 R N 2.434 122.920 120.500 -0.025 0.000 2.854 622 R HA 0.559 4.900 4.340 0.001 0.000 0.271 622 R C -0.670 175.513 176.300 -0.196 0.000 0.994 622 R CA -0.998 55.017 56.100 -0.142 0.000 0.945 622 R CB 1.288 31.458 30.300 -0.216 0.000 1.194 622 R HN 0.538 nan 8.270 nan 0.000 0.476 623 N N 1.111 119.596 118.700 -0.358 0.000 2.456 623 N HA 0.443 5.183 4.740 0.001 0.000 0.296 623 N C -0.914 174.260 175.510 -0.560 0.000 1.102 623 N CA -0.151 52.727 53.050 -0.288 0.000 0.924 623 N CB 1.330 39.702 38.487 -0.192 0.000 1.186 623 N HN 0.349 nan 8.380 nan 0.000 0.492 624 Y N -0.521 119.708 120.300 -0.119 0.000 2.562 624 Y HA 0.285 4.835 4.550 0.001 0.000 0.345 624 Y C -0.208 175.597 175.900 -0.159 0.000 1.045 624 Y CA -0.963 57.057 58.100 -0.134 0.000 1.028 624 Y CB 1.915 40.296 38.460 -0.132 0.000 1.297 624 Y HN 0.372 nan 8.280 nan 0.000 0.463 625 E N 1.134 121.324 120.200 -0.017 0.000 2.182 625 E HA 0.506 4.856 4.350 0.001 0.000 0.258 625 E C -1.567 174.992 176.600 -0.068 0.000 0.879 625 E CA -0.491 55.804 56.400 -0.175 0.000 0.754 625 E CB 1.204 30.686 29.700 -0.363 0.000 1.162 625 E HN 0.553 nan 8.360 nan 0.000 0.419 626 T N 5.364 119.910 114.554 -0.014 0.000 2.807 626 T HA 0.599 4.949 4.350 0.001 0.000 0.279 626 T C -0.203 174.571 174.700 0.124 0.000 0.993 626 T CA -0.655 61.501 62.100 0.094 0.000 0.970 626 T CB 0.673 69.644 68.868 0.172 0.000 0.950 626 T HN 0.457 nan 8.240 nan 0.000 0.441 627 M N 3.232 122.894 119.600 0.104 0.000 2.267 627 M HA 0.589 5.069 4.480 0.001 0.000 0.289 627 M C -1.511 174.839 176.300 0.084 0.000 1.043 627 M CA -0.757 54.520 55.300 -0.037 0.000 0.928 627 M CB 2.057 34.548 32.600 -0.180 0.000 1.613 627 M HN 0.863 nan 8.290 nan 0.000 0.450 628 W N 2.448 123.649 121.300 -0.165 0.000 3.029 628 W HA 0.883 5.544 4.660 0.001 0.000 0.339 628 W C -2.114 174.278 176.519 -0.211 0.000 1.198 628 W CA -0.979 56.257 57.345 -0.181 0.000 1.148 628 W CB 0.667 30.039 29.460 -0.147 0.000 1.451 628 W HN 0.441 nan 8.180 nan 0.000 0.564 629 I N 2.652 123.186 120.570 -0.061 0.000 2.336 629 I HA 0.117 4.287 4.170 0.001 0.000 0.292 629 I C -0.433 175.545 176.117 -0.232 0.000 0.991 629 I CA -0.507 60.643 61.300 -0.250 0.000 1.227 629 I CB 1.147 38.982 38.000 -0.275 0.000 1.366 629 I HN 0.397 nan 8.210 nan 0.000 0.466 630 D N 5.305 125.583 120.400 -0.204 0.000 2.317 630 D HA 0.167 4.808 4.640 0.001 0.000 0.234 630 D C 0.490 176.694 176.300 -0.161 0.000 1.112 630 D CA -0.069 53.890 54.000 -0.069 0.000 0.840 630 D CB 0.670 41.478 40.800 0.015 0.000 1.078 630 D HN 0.465 nan 8.370 nan 0.000 0.486 631 H N 2.229 121.349 119.070 0.083 0.000 2.539 631 H HA 0.357 4.913 4.556 0.001 0.000 0.269 631 H C 1.356 176.707 175.328 0.039 0.000 0.980 631 H CA 0.363 56.448 56.048 0.062 0.000 1.152 631 H CB 0.479 30.288 29.762 0.078 0.000 1.407 631 H HN 0.671 nan 8.280 nan 0.000 0.564 632 G N 0.164 109.031 108.800 0.113 0.000 2.725 632 G HA2 -0.243 3.717 3.960 0.001 0.000 0.220 632 G HA3 -0.243 3.717 3.960 0.001 0.000 0.220 632 G C -0.350 174.587 174.900 0.062 0.000 1.357 632 G CA -0.415 44.726 45.100 0.068 0.000 0.866 632 G HN 0.228 nan 8.290 nan 0.000 0.548 633 T N 0.649 115.224 114.554 0.034 0.000 2.867 633 T HA 0.558 4.908 4.350 0.001 0.000 0.282 633 T C 0.791 175.505 174.700 0.023 0.000 1.000 633 T CA 0.483 62.595 62.100 0.020 0.000 1.042 633 T CB 0.734 69.603 68.868 0.001 0.000 0.973 633 T HN 1.066 nan 8.240 nan 0.000 0.465 634 N N 1.603 120.317 118.700 0.022 0.000 2.714 634 N HA -0.127 4.614 4.740 0.001 0.000 0.252 634 N C -2.508 173.015 175.510 0.021 0.000 1.014 634 N CA -0.316 52.747 53.050 0.021 0.000 0.735 634 N CB -0.610 37.885 38.487 0.013 0.000 0.924 634 N HN 0.460 nan 8.380 nan 0.000 0.540 635 P HA 0.082 nan 4.420 nan 0.000 0.272 635 P C -0.566 176.732 177.300 -0.003 0.000 1.230 635 P CA 0.079 63.193 63.100 0.023 0.000 0.788 635 P CB 1.585 33.309 31.700 0.041 0.000 0.949 636 S N 0.461 116.154 115.700 -0.012 0.000 2.774 636 S HA 0.522 4.993 4.470 0.001 0.000 0.297 636 S C 0.595 175.171 174.600 -0.040 0.000 1.143 636 S CA 0.220 58.404 58.200 -0.026 0.000 1.090 636 S CB -0.590 62.601 63.200 -0.016 0.000 1.019 636 S HN 0.894 nan 8.310 nan 0.000 0.482 637 G N 3.121 111.882 108.800 -0.066 0.000 2.221 637 G HA2 -0.121 3.839 3.960 0.001 0.000 0.265 637 G HA3 -0.121 3.839 3.960 0.001 0.000 0.265 637 G C 0.410 175.258 174.900 -0.087 0.000 1.041 637 G CA 0.188 45.239 45.100 -0.083 0.000 0.807 637 G HN 1.276 nan 8.290 nan 0.000 0.502 638 A N -0.615 122.145 122.820 -0.101 0.000 2.327 638 A HA 0.924 5.245 4.320 0.001 0.000 0.255 638 A C 0.905 178.400 177.584 -0.147 0.000 1.099 638 A CA 0.956 52.938 52.037 -0.092 0.000 0.801 638 A CB 0.757 19.691 19.000 -0.109 0.000 1.062 638 A HN 2.206 nan 8.150 nan 0.000 0.496 639 S N -1.565 114.095 115.700 -0.068 0.000 2.643 639 S HA 0.800 5.270 4.470 0.001 0.000 0.270 639 S C -0.998 173.675 174.600 0.121 0.000 1.166 639 S CA -0.190 57.945 58.200 -0.108 0.000 0.815 639 S CB 1.177 64.300 63.200 -0.127 0.000 1.139 639 S HN 2.005 nan 8.310 nan 0.000 0.472 640 Y N -2.151 118.203 120.300 0.091 0.000 2.656 640 Y HA 0.869 5.420 4.550 0.001 0.000 0.334 640 Y C -0.681 175.289 175.900 0.116 0.000 1.179 640 Y CA -0.712 57.497 58.100 0.182 0.000 1.050 640 Y CB 0.912 39.565 38.460 0.321 0.000 1.308 640 Y HN 1.325 nan 8.280 nan 0.000 0.456 641 G N 1.407 110.485 108.800 0.463 0.000 2.684 641 G HA2 0.546 4.507 3.960 0.001 0.000 0.289 641 G HA3 0.546 4.507 3.960 0.001 0.000 0.289 641 G C -2.336 172.769 174.900 0.341 0.000 1.416 641 G CA -0.719 44.541 45.100 0.266 0.000 1.235 641 G HN 1.283 nan 8.290 nan 0.000 0.576 642 Y N -0.278 120.132 120.300 0.183 0.000 2.597 642 Y HA 0.802 5.353 4.550 0.001 0.000 0.340 642 Y C -1.345 174.558 175.900 0.005 0.000 1.097 642 Y CA -1.666 56.407 58.100 -0.046 0.000 1.037 642 Y CB 1.670 40.054 38.460 -0.128 0.000 1.305 642 Y HN 0.423 nan 8.280 nan 0.000 0.463 643 V N 3.724 123.717 119.914 0.132 0.000 2.540 643 V HA 0.418 4.538 4.120 0.001 0.000 0.302 643 V C -0.371 175.803 176.094 0.133 0.000 1.035 643 V CA -0.897 61.498 62.300 0.159 0.000 0.873 643 V CB 1.731 33.703 31.823 0.249 0.000 0.992 643 V HN 0.756 nan 8.190 nan 0.000 0.428 644 L N 5.598 126.879 121.223 0.097 0.000 2.276 644 L HA 0.512 4.853 4.340 0.001 0.000 0.286 644 L C -0.621 176.132 176.870 -0.195 0.000 1.061 644 L CA -0.313 54.490 54.840 -0.060 0.000 0.807 644 L CB 1.081 43.138 42.059 -0.004 0.000 1.177 644 L HN 0.481 nan 8.230 nan 0.000 0.429 645 L N 6.039 127.078 121.223 -0.307 0.000 2.387 645 L HA 0.381 4.722 4.340 0.001 0.000 0.259 645 L C -2.274 174.399 176.870 -0.328 0.000 1.050 645 L CA -1.732 52.913 54.840 -0.325 0.000 0.922 645 L CB 0.992 42.841 42.059 -0.349 0.000 1.280 645 L HN 0.323 nan 8.230 nan 0.000 0.449 646 P HA 0.081 nan 4.420 nan 0.000 0.269 646 P C -0.139 177.044 177.300 -0.195 0.000 1.209 646 P CA -0.049 62.801 63.100 -0.416 0.000 0.776 646 P CB 0.365 31.523 31.700 -0.904 0.000 0.876 647 N N -0.554 118.092 118.700 -0.089 0.000 2.721 647 N HA -0.203 4.538 4.740 0.001 0.000 0.249 647 N C -0.412 175.122 175.510 0.039 0.000 1.072 647 N CA 1.268 54.329 53.050 0.019 0.000 0.710 647 N CB -1.132 37.406 38.487 0.084 0.000 0.993 647 N HN 0.569 nan 8.380 nan 0.000 0.547 648 K N 0.107 120.531 120.400 0.039 0.000 2.221 648 K HA 0.440 4.760 4.320 0.001 0.000 0.243 648 K C 0.754 177.437 176.600 0.138 0.000 0.968 648 K CA -0.584 55.731 56.287 0.046 0.000 0.846 648 K CB 1.440 33.926 32.500 -0.025 0.000 1.141 648 K HN 0.184 nan 8.250 nan 0.000 0.434 649 T N -1.926 112.636 114.554 0.014 0.000 2.847 649 T HA 0.107 4.457 4.350 0.001 0.000 0.279 649 T C 1.300 175.758 174.700 -0.404 0.000 0.984 649 T CA -0.570 61.457 62.100 -0.123 0.000 0.988 649 T CB 1.440 70.254 68.868 -0.090 0.000 1.040 649 T HN 0.361 nan 8.240 nan 0.000 0.528 650 S N 0.557 115.810 115.700 -0.745 0.000 2.368 650 S HA -0.172 4.298 4.470 0.001 0.000 0.226 650 S C 2.420 176.828 174.600 -0.320 0.000 1.044 650 S CA 1.622 59.520 58.200 -0.503 0.000 1.062 650 S CB -1.159 61.922 63.200 -0.199 0.000 0.931 650 S HN 0.890 nan 8.310 nan 0.000 0.440 651 A N 0.823 123.517 122.820 -0.210 0.000 1.865 651 A HA -0.224 4.096 4.320 0.001 0.000 0.217 651 A C 2.073 179.518 177.584 -0.232 0.000 1.191 651 A CA 1.867 53.799 52.037 -0.174 0.000 0.623 651 A CB -0.825 18.120 19.000 -0.093 0.000 0.826 651 A HN 0.621 nan 8.150 nan 0.000 0.444 652 Q N -0.621 119.067 119.800 -0.187 0.000 2.061 652 Q HA -0.146 4.195 4.340 0.001 0.000 0.204 652 Q C 2.164 178.034 176.000 -0.216 0.000 0.984 652 Q CA 1.832 57.546 55.803 -0.148 0.000 0.846 652 Q CB -0.431 28.257 28.738 -0.083 0.000 0.902 652 Q HN 0.489 nan 8.270 nan 0.000 0.421 653 V N 0.452 120.183 119.914 -0.306 0.000 2.343 653 V HA -0.228 3.892 4.120 0.001 0.000 0.247 653 V C 2.202 177.826 176.094 -0.785 0.000 1.051 653 V CA 1.961 64.024 62.300 -0.396 0.000 1.036 653 V CB -1.187 30.480 31.823 -0.261 0.000 0.654 653 V HN 0.564 nan 8.190 nan 0.000 0.451 654 G N -0.439 107.675 108.800 -1.145 0.000 2.418 654 G HA2 -0.211 3.749 3.960 0.001 0.000 0.217 654 G HA3 -0.211 3.749 3.960 0.001 0.000 0.217 654 G C 1.783 176.383 174.900 -0.500 0.000 1.158 654 G CA 1.063 45.455 45.100 -1.180 0.000 0.771 654 G HN 0.607 nan 8.290 nan 0.000 0.545 655 A N 0.005 122.634 122.820 -0.318 0.000 1.877 655 A HA -0.066 4.254 4.320 0.001 0.000 0.216 655 A C 2.204 179.675 177.584 -0.189 0.000 1.186 655 A CA 1.744 53.670 52.037 -0.185 0.000 0.620 655 A CB -0.797 18.128 19.000 -0.125 0.000 0.822 655 A HN 0.457 nan 8.150 nan 0.000 0.443 656 Y N 0.568 120.680 120.300 -0.313 0.000 2.081 656 Y HA -0.204 4.346 4.550 0.001 0.000 0.280 656 Y C 2.709 178.333 175.900 -0.460 0.000 1.163 656 Y CA 1.783 59.686 58.100 -0.329 0.000 1.135 656 Y CB -0.466 37.807 38.460 -0.311 0.000 0.970 656 Y HN 0.320 nan 8.280 nan 0.000 0.498 657 A N 0.045 122.669 122.820 -0.327 0.000 2.024 657 A HA -0.156 4.164 4.320 0.001 0.000 0.220 657 A C 2.326 179.784 177.584 -0.210 0.000 1.164 657 A CA 1.807 53.604 52.037 -0.399 0.000 0.643 657 A CB -1.356 17.657 19.000 0.023 0.000 0.806 657 A HN 0.617 nan 8.150 nan 0.000 0.451 658 A N -0.945 121.766 122.820 -0.181 0.000 1.872 658 A HA 0.045 4.365 4.320 0.001 0.000 0.214 658 A C 1.090 178.583 177.584 -0.151 0.000 1.187 658 A CA 1.596 53.572 52.037 -0.101 0.000 0.614 658 A CB -0.099 18.852 19.000 -0.082 0.000 0.826 658 A HN 0.384 nan 8.150 nan 0.000 0.442 659 D N -0.351 119.899 120.400 -0.251 0.000 2.443 659 D HA 0.303 4.943 4.640 0.001 0.000 0.281 659 D C -2.814 173.201 176.300 -0.475 0.000 1.210 659 D CA -2.108 51.733 54.000 -0.266 0.000 0.875 659 D CB 0.862 41.549 40.800 -0.188 0.000 1.125 659 D HN 0.146 nan 8.370 nan 0.000 0.503 660 P HA 0.123 nan 4.420 nan 0.000 0.268 660 P C 0.331 177.286 177.300 -0.576 0.000 1.205 660 P CA -0.198 62.351 63.100 -0.918 0.000 0.771 660 P CB 1.739 33.112 31.700 -0.545 0.000 0.858 661 A N 3.729 126.182 122.820 -0.611 0.000 2.072 661 A HA 0.076 4.397 4.320 0.001 0.000 0.216 661 A C 1.259 178.772 177.584 -0.120 0.000 1.156 661 A CA 0.556 52.456 52.037 -0.229 0.000 0.701 661 A CB -0.813 18.146 19.000 -0.068 0.000 0.816 661 A HN 0.684 nan 8.150 nan 0.000 0.458 662 I N -3.482 117.081 120.570 -0.011 0.000 2.783 662 I HA 0.711 4.881 4.170 0.001 0.000 0.312 662 I C -0.264 175.869 176.117 0.027 0.000 0.988 662 I CA -0.814 60.507 61.300 0.033 0.000 1.182 662 I CB 1.264 39.396 38.000 0.219 0.000 1.368 662 I HN 0.078 nan 8.210 nan 0.000 0.511 663 E N 3.199 123.399 120.200 0.001 0.000 2.311 663 E HA 0.455 4.806 4.350 0.001 0.000 0.281 663 E C -1.512 175.071 176.600 -0.027 0.000 0.905 663 E CA -0.617 55.781 56.400 -0.003 0.000 0.778 663 E CB 1.731 31.408 29.700 -0.039 0.000 1.240 663 E HN 0.682 nan 8.360 nan 0.000 0.410 664 I N 5.154 125.717 120.570 -0.010 0.000 2.421 664 I HA 0.018 4.188 4.170 0.001 0.000 0.291 664 I C 1.199 177.281 176.117 -0.059 0.000 1.089 664 I CA -0.115 61.156 61.300 -0.048 0.000 1.354 664 I CB 0.910 38.896 38.000 -0.022 0.000 1.413 664 I HN 0.504 nan 8.210 nan 0.000 0.513 665 V N 7.557 127.415 119.914 -0.094 0.000 2.407 665 V HA -0.004 4.116 4.120 0.001 0.000 0.245 665 V C 0.596 176.651 176.094 -0.065 0.000 1.041 665 V CA 0.914 63.169 62.300 -0.076 0.000 1.040 665 V CB 0.164 31.932 31.823 -0.090 0.000 0.671 665 V HN 0.586 nan 8.190 nan 0.000 0.455 666 V N -0.299 119.566 119.914 -0.082 0.000 3.098 666 V HA 0.449 4.570 4.120 0.001 0.000 0.294 666 V C -1.290 174.767 176.094 -0.063 0.000 1.351 666 V CA -0.730 61.532 62.300 -0.063 0.000 0.999 666 V CB 2.153 33.938 31.823 -0.063 0.000 1.104 666 V HN 0.330 nan 8.190 nan 0.000 0.438 667 N N 1.921 120.591 118.700 -0.051 0.000 2.697 667 N HA 0.343 5.083 4.740 0.001 0.000 0.253 667 N C -0.526 174.945 175.510 -0.066 0.000 1.604 667 N CA 0.268 53.282 53.050 -0.060 0.000 0.772 667 N CB 1.101 39.539 38.487 -0.081 0.000 1.267 667 N HN 0.967 nan 8.380 nan 0.000 0.510 668 T N -2.741 111.790 114.554 -0.038 0.000 2.938 668 T HA 0.386 4.737 4.350 0.001 0.000 0.285 668 T C 1.378 176.050 174.700 -0.047 0.000 1.028 668 T CA -0.157 61.918 62.100 -0.042 0.000 1.005 668 T CB 0.975 69.836 68.868 -0.012 0.000 1.157 668 T HN 0.086 nan 8.240 nan 0.000 0.550 669 S N -0.737 114.915 115.700 -0.079 0.000 2.507 669 S HA 0.100 4.570 4.470 0.001 0.000 0.235 669 S C 1.942 176.538 174.600 -0.007 0.000 0.988 669 S CA 0.621 58.735 58.200 -0.143 0.000 0.944 669 S CB -0.884 62.229 63.200 -0.145 0.000 0.762 669 S HN 1.039 nan 8.310 nan 0.000 0.526 670 G N 0.123 108.981 108.800 0.096 0.000 2.510 670 G HA2 0.382 4.342 3.960 0.001 0.000 0.212 670 G HA3 0.382 4.342 3.960 0.001 0.000 0.212 670 G C 0.155 175.213 174.900 0.264 0.000 1.151 670 G CA 0.664 45.880 45.100 0.194 0.000 0.817 670 G HN 0.660 nan 8.290 nan 0.000 0.534 671 V N -0.222 119.789 119.914 0.162 0.000 2.969 671 V HA 0.584 4.704 4.120 0.001 0.000 0.304 671 V C -2.175 173.904 176.094 -0.025 0.000 1.192 671 V CA -0.892 61.381 62.300 -0.044 0.000 0.962 671 V CB 2.167 33.854 31.823 -0.226 0.000 1.045 671 V HN 0.294 nan 8.190 nan 0.000 0.428 672 Q N 3.439 123.203 119.800 -0.060 0.000 2.321 672 Q HA 0.731 5.071 4.340 0.001 0.000 0.270 672 Q C -1.124 174.873 176.000 -0.005 0.000 1.032 672 Q CA -0.391 55.434 55.803 0.037 0.000 0.784 672 Q CB 2.194 31.054 28.738 0.203 0.000 1.264 672 Q HN 0.781 nan 8.270 nan 0.000 0.448 673 S N 1.836 117.460 115.700 -0.127 0.000 2.540 673 S HA 0.751 5.221 4.470 0.001 0.000 0.275 673 S C -1.389 172.953 174.600 -0.430 0.000 1.123 673 S CA -0.474 57.561 58.200 -0.275 0.000 0.907 673 S CB 1.547 64.628 63.200 -0.199 0.000 1.081 673 S HN 0.336 nan 8.310 nan 0.000 0.476 674 V N 4.026 123.528 119.914 -0.686 0.000 2.876 674 V HA 0.637 4.758 4.120 0.001 0.000 0.312 674 V C -0.486 175.473 176.094 -0.226 0.000 1.085 674 V CA -0.889 61.126 62.300 -0.476 0.000 0.945 674 V CB 2.135 33.564 31.823 -0.656 0.000 1.017 674 V HN 0.889 nan 8.190 nan 0.000 0.428 675 K N 2.176 122.488 120.400 -0.148 0.000 2.259 675 K HA 0.522 4.843 4.320 0.001 0.000 0.252 675 K C -0.999 175.428 176.600 -0.287 0.000 0.936 675 K CA -0.584 55.600 56.287 -0.172 0.000 0.810 675 K CB 1.966 34.389 32.500 -0.128 0.000 1.143 675 K HN 0.659 nan 8.250 nan 0.000 0.427 676 E N 4.177 124.089 120.200 -0.481 0.000 2.173 676 E HA 0.121 4.471 4.350 0.001 0.000 0.249 676 E C -0.145 176.251 176.600 -0.339 0.000 0.923 676 E CA -0.123 55.918 56.400 -0.598 0.000 0.754 676 E CB 1.014 29.997 29.700 -1.196 0.000 1.177 676 E HN 0.621 nan 8.360 nan 0.000 0.430 677 K N 0.433 120.700 120.400 -0.222 0.000 2.089 677 K HA -0.197 4.123 4.320 0.001 0.000 0.210 677 K C 1.807 178.327 176.600 -0.133 0.000 1.048 677 K CA 2.166 58.362 56.287 -0.153 0.000 0.926 677 K CB -0.084 32.343 32.500 -0.122 0.000 0.714 677 K HN 0.451 nan 8.250 nan 0.000 0.448 678 T N -0.570 113.903 114.554 -0.136 0.000 2.904 678 T HA -0.025 4.326 4.350 0.001 0.000 0.267 678 T C 1.856 176.498 174.700 -0.097 0.000 1.059 678 T CA 0.710 62.752 62.100 -0.095 0.000 1.137 678 T CB -0.149 68.680 68.868 -0.066 0.000 0.879 678 T HN 0.101 nan 8.240 nan 0.000 0.467 679 L N 0.388 121.518 121.223 -0.156 0.000 2.529 679 L HA 0.399 4.739 4.340 0.001 0.000 0.223 679 L C 1.940 178.720 176.870 -0.151 0.000 1.113 679 L CA 0.381 55.126 54.840 -0.158 0.000 0.861 679 L CB -0.345 41.555 42.059 -0.265 0.000 1.012 679 L HN 0.590 nan 8.230 nan 0.000 0.461 680 G N 1.177 109.882 108.800 -0.158 0.000 2.160 680 G HA2 -0.265 3.695 3.960 0.001 0.000 0.244 680 G HA3 -0.265 3.695 3.960 0.001 0.000 0.244 680 G C -0.045 174.783 174.900 -0.120 0.000 1.022 680 G CA -0.153 44.880 45.100 -0.112 0.000 0.741 680 G HN 0.202 nan 8.290 nan 0.000 0.508 681 L N -0.115 120.980 121.223 -0.215 0.000 2.307 681 L HA 0.704 5.044 4.340 0.001 0.000 0.282 681 L C 0.189 176.990 176.870 -0.115 0.000 1.051 681 L CA -1.132 53.605 54.840 -0.171 0.000 0.804 681 L CB 1.981 43.864 42.059 -0.293 0.000 1.197 681 L HN -0.042 nan 8.230 nan 0.000 0.431 682 V N 2.096 122.017 119.914 0.012 0.000 2.482 682 V HA 0.622 4.743 4.120 0.001 0.000 0.295 682 V C 0.246 176.416 176.094 0.125 0.000 1.026 682 V CA -0.507 61.811 62.300 0.031 0.000 0.856 682 V CB 1.695 33.531 31.823 0.022 0.000 1.001 682 V HN 0.862 nan 8.190 nan 0.000 0.424 683 G N 3.013 111.891 108.800 0.130 0.000 2.420 683 G HA2 0.844 4.804 3.960 0.001 0.000 0.331 683 G HA3 0.844 4.804 3.960 0.001 0.000 0.331 683 G C -0.812 174.197 174.900 0.183 0.000 1.168 683 G CA -0.328 44.933 45.100 0.269 0.000 0.936 683 G HN 1.195 nan 8.290 nan 0.000 0.479 684 A N 1.642 124.614 122.820 0.254 0.000 2.488 684 A HA 0.703 5.024 4.320 0.001 0.000 0.295 684 A C -0.811 176.741 177.584 -0.053 0.000 1.045 684 A CA -0.827 51.214 52.037 0.007 0.000 0.703 684 A CB 1.273 20.153 19.000 -0.200 0.000 1.271 684 A HN 0.669 nan 8.150 nan 0.000 0.400 685 N N 0.992 119.545 118.700 -0.246 0.000 2.443 685 N HA 0.593 5.334 4.740 0.001 0.000 0.269 685 N C -1.673 173.408 175.510 -0.715 0.000 0.985 685 N CA -0.203 52.636 53.050 -0.351 0.000 0.921 685 N CB 1.268 39.423 38.487 -0.554 0.000 1.195 685 N HN 0.492 nan 8.380 nan 0.000 0.492 686 F N 1.127 120.952 119.950 -0.208 0.000 2.404 686 F HA 0.278 4.805 4.527 0.001 0.000 0.354 686 F C 0.442 176.182 175.800 -0.099 0.000 1.122 686 F CA -0.758 57.162 58.000 -0.133 0.000 1.080 686 F CB 0.615 39.622 39.000 0.011 0.000 1.131 686 F HN 0.599 nan 8.300 nan 0.000 0.471 687 W N 0.692 122.114 121.300 0.204 0.000 2.863 687 W HA 0.088 4.749 4.660 0.001 0.000 0.258 687 W C 0.763 177.391 176.519 0.182 0.000 1.298 687 W CA 0.197 57.584 57.345 0.069 0.000 1.451 687 W CB 0.107 29.463 29.460 -0.174 0.000 1.107 687 W HN 0.391 nan 8.180 nan 0.000 0.641 688 T N -3.217 111.559 114.554 0.370 0.000 2.916 688 T HA 0.268 4.618 4.350 0.001 0.000 0.292 688 T C -0.426 174.390 174.700 0.193 0.000 1.064 688 T CA -0.862 61.392 62.100 0.257 0.000 1.011 688 T CB 2.191 71.170 68.868 0.184 0.000 1.152 688 T HN -0.293 nan 8.240 nan 0.000 0.510 689 D N 2.553 123.034 120.400 0.134 0.000 2.845 689 D HA 0.297 4.937 4.640 0.001 0.000 0.235 689 D C 0.339 176.667 176.300 0.047 0.000 1.158 689 D CA 0.147 54.193 54.000 0.076 0.000 0.990 689 D CB -0.206 40.628 40.800 0.058 0.000 1.094 689 D HN 0.801 nan 8.370 nan 0.000 0.486 690 T N -3.444 111.139 114.554 0.050 0.000 2.864 690 T HA 0.367 4.717 4.350 0.001 0.000 0.299 690 T C 0.067 174.771 174.700 0.006 0.000 1.166 690 T CA -0.822 61.295 62.100 0.028 0.000 1.007 690 T CB 1.636 70.531 68.868 0.046 0.000 1.219 690 T HN -0.156 nan 8.240 nan 0.000 0.506 691 T N 2.806 117.352 114.554 -0.013 0.000 2.769 691 T HA 0.370 4.721 4.350 0.001 0.000 0.293 691 T C -0.211 174.492 174.700 0.006 0.000 0.931 691 T CA -0.125 61.952 62.100 -0.039 0.000 1.139 691 T CB -0.019 68.822 68.868 -0.045 0.000 0.881 691 T HN 0.550 nan 8.240 nan 0.000 0.532 692 Q N 1.547 121.357 119.800 0.015 0.000 2.451 692 Q HA 0.610 4.950 4.340 0.001 0.000 0.281 692 Q C -0.842 175.261 176.000 0.173 0.000 1.099 692 Q CA -0.996 54.890 55.803 0.139 0.000 0.806 692 Q CB 2.496 31.420 28.738 0.310 0.000 1.419 692 Q HN 0.482 nan 8.270 nan 0.000 0.427 693 T N 0.713 115.391 114.554 0.207 0.000 2.881 693 T HA 0.698 5.048 4.350 0.001 0.000 0.290 693 T C -1.455 173.354 174.700 0.183 0.000 1.000 693 T CA -0.637 61.577 62.100 0.188 0.000 0.978 693 T CB 1.456 70.370 68.868 0.076 0.000 0.997 693 T HN 0.600 nan 8.240 nan 0.000 0.443 694 A N 3.160 126.099 122.820 0.200 0.000 2.375 694 A HA 0.723 5.043 4.320 0.001 0.000 0.291 694 A C 0.157 177.779 177.584 0.063 0.000 1.160 694 A CA -0.445 51.637 52.037 0.074 0.000 0.747 694 A CB 0.313 19.294 19.000 -0.032 0.000 1.170 694 A HN 1.001 nan 8.150 nan 0.000 0.458 695 D N 0.557 120.973 120.400 0.025 0.000 3.685 695 D HA -0.308 4.333 4.640 0.001 0.000 0.152 695 D C 1.066 177.381 176.300 0.026 0.000 0.966 695 D CA 2.669 56.677 54.000 0.014 0.000 1.085 695 D CB -0.786 40.015 40.800 0.001 0.000 0.521 695 D HN 1.140 nan 8.370 nan 0.000 0.543 696 L N -0.329 120.909 121.223 0.025 0.000 2.599 696 L HA 0.374 4.715 4.340 0.001 0.000 0.230 696 L C 0.537 177.424 176.870 0.028 0.000 1.141 696 L CA -0.037 54.813 54.840 0.017 0.000 0.877 696 L CB -0.372 41.692 42.059 0.009 0.000 1.009 696 L HN 0.222 nan 8.230 nan 0.000 0.447 697 I N 0.727 121.342 120.570 0.075 0.000 2.392 697 I HA 0.349 4.520 4.170 0.001 0.000 0.295 697 I C -0.345 175.828 176.117 0.092 0.000 0.985 697 I CA -0.249 61.111 61.300 0.099 0.000 1.221 697 I CB 1.769 39.902 38.000 0.222 0.000 1.366 697 I HN -0.047 nan 8.210 nan 0.000 0.467 698 T N 3.970 118.491 114.554 -0.055 0.000 2.841 698 T HA 0.388 4.738 4.350 0.001 0.000 0.285 698 T C -0.626 173.860 174.700 -0.357 0.000 0.991 698 T CA -0.559 61.457 62.100 -0.140 0.000 0.966 698 T CB 1.674 70.473 68.868 -0.115 0.000 0.962 698 T HN 0.596 nan 8.240 nan 0.000 0.438 699 S N 1.373 116.718 115.700 -0.591 0.000 2.568 699 S HA 0.443 4.914 4.470 0.001 0.000 0.293 699 S C 0.644 174.981 174.600 -0.439 0.000 1.089 699 S CA -0.834 56.944 58.200 -0.704 0.000 0.945 699 S CB 0.842 63.210 63.200 -1.386 0.000 1.077 699 S HN 0.867 nan 8.310 nan 0.000 0.485 700 N N 2.085 120.599 118.700 -0.309 0.000 2.205 700 N HA 0.296 5.036 4.740 0.001 0.000 0.201 700 N C 0.011 175.443 175.510 -0.130 0.000 1.128 700 N CA -0.439 52.502 53.050 -0.182 0.000 0.867 700 N CB 0.334 38.733 38.487 -0.146 0.000 0.996 700 N HN 0.309 nan 8.380 nan 0.000 0.503 701 K N 0.283 120.587 120.400 -0.159 0.000 2.499 701 K HA 0.293 4.613 4.320 0.001 0.000 0.277 701 K C -1.135 175.457 176.600 -0.014 0.000 1.025 701 K CA -0.897 55.350 56.287 -0.066 0.000 0.900 701 K CB 1.941 34.399 32.500 -0.069 0.000 1.494 701 K HN -0.094 nan 8.250 nan 0.000 0.442 702 K N 1.091 121.534 120.400 0.072 0.000 2.472 702 K HA 0.259 4.579 4.320 0.001 0.000 0.280 702 K C -0.572 176.039 176.600 0.019 0.000 1.028 702 K CA 0.234 56.624 56.287 0.173 0.000 1.045 702 K CB 0.443 33.039 32.500 0.161 0.000 0.902 702 K HN 0.609 nan 8.250 nan 0.000 0.478 703 A N 1.860 124.760 122.820 0.133 0.000 2.586 703 A HA 0.441 4.762 4.320 0.001 0.000 0.291 703 A C -1.385 176.327 177.584 0.212 0.000 1.062 703 A CA -0.716 51.344 52.037 0.039 0.000 0.666 703 A CB 1.921 20.931 19.000 0.017 0.000 1.281 703 A HN 0.430 nan 8.150 nan 0.000 0.421 704 S N 0.109 115.873 115.700 0.106 0.000 2.530 704 S HA 0.680 5.150 4.470 0.001 0.000 0.322 704 S C -1.115 173.612 174.600 0.213 0.000 1.085 704 S CA -0.366 57.946 58.200 0.186 0.000 1.096 704 S CB 0.635 63.903 63.200 0.115 0.000 0.988 704 S HN 1.241 nan 8.310 nan 0.000 0.466 705 V N 6.029 126.110 119.914 0.279 0.000 2.735 705 V HA 0.664 4.785 4.120 0.001 0.000 0.310 705 V C -0.344 175.910 176.094 0.267 0.000 1.061 705 V CA -0.744 61.724 62.300 0.279 0.000 0.913 705 V CB 1.900 33.922 31.823 0.332 0.000 1.005 705 V HN 0.939 nan 8.190 nan 0.000 0.428 706 M N 3.970 123.720 119.600 0.250 0.000 2.378 706 M HA 0.708 5.189 4.480 0.001 0.000 0.289 706 M C -0.758 175.680 176.300 0.229 0.000 1.136 706 M CA -0.052 55.393 55.300 0.241 0.000 0.917 706 M CB 2.450 35.193 32.600 0.238 0.000 1.669 706 M HN 0.916 nan 8.290 nan 0.000 0.461 707 T N 1.002 115.672 114.554 0.193 0.000 2.906 707 T HA 0.701 5.051 4.350 0.001 0.000 0.295 707 T C -1.093 173.685 174.700 0.129 0.000 1.061 707 T CA -0.955 61.250 62.100 0.174 0.000 1.000 707 T CB 2.085 71.043 68.868 0.150 0.000 1.103 707 T HN 0.845 nan 8.240 nan 0.000 0.486 708 R N 0.988 121.567 120.500 0.132 0.000 2.502 708 R HA 0.440 4.781 4.340 0.001 0.000 0.300 708 R C -1.127 175.224 176.300 0.085 0.000 0.984 708 R CA -0.478 55.674 56.100 0.085 0.000 0.882 708 R CB 1.549 31.914 30.300 0.108 0.000 1.180 708 R HN 0.917 nan 8.270 nan 0.000 0.444 709 E N 5.714 125.942 120.200 0.046 0.000 2.171 709 E HA 0.270 4.620 4.350 0.001 0.000 0.271 709 E C -0.772 175.847 176.600 0.033 0.000 0.916 709 E CA -0.773 55.654 56.400 0.046 0.000 0.774 709 E CB 1.094 30.812 29.700 0.029 0.000 1.128 709 E HN 0.414 nan 8.360 nan 0.000 0.403 710 I N 3.859 124.456 120.570 0.045 0.000 2.371 710 I HA 0.233 4.403 4.170 0.001 0.000 0.282 710 I C 0.287 176.423 176.117 0.030 0.000 1.031 710 I CA -0.712 60.609 61.300 0.036 0.000 1.180 710 I CB 0.309 38.337 38.000 0.047 0.000 1.336 710 I HN 0.688 nan 8.210 nan 0.000 0.467 711 A N 5.218 128.049 122.820 0.018 0.000 2.568 711 A HA -0.121 4.200 4.320 0.001 0.000 0.273 711 A C 0.833 178.429 177.584 0.020 0.000 0.978 711 A CA 0.745 52.790 52.037 0.014 0.000 0.946 711 A CB -0.877 18.127 19.000 0.006 0.000 0.842 711 A HN 0.894 nan 8.150 nan 0.000 0.484 712 D N 1.190 121.604 120.400 0.022 0.000 2.882 712 D HA -0.187 4.453 4.640 0.001 0.000 0.229 712 D C 0.833 177.152 176.300 0.031 0.000 1.167 712 D CA 1.776 55.791 54.000 0.025 0.000 0.759 712 D CB -0.252 40.559 40.800 0.018 0.000 1.088 712 D HN 0.799 nan 8.370 nan 0.000 0.425 713 E N -0.908 119.316 120.200 0.039 0.000 3.249 713 E HA 0.207 4.558 4.350 0.001 0.000 0.184 713 E C 0.904 177.540 176.600 0.060 0.000 1.163 713 E CA 0.153 56.579 56.400 0.044 0.000 1.353 713 E CB 0.818 30.542 29.700 0.040 0.000 1.466 713 E HN 0.416 nan 8.360 nan 0.000 0.502 714 R N 0.160 120.703 120.500 0.071 0.000 2.734 714 R HA 0.648 4.989 4.340 0.001 0.000 0.271 714 R C -1.617 174.752 176.300 0.115 0.000 1.021 714 R CA -0.804 55.355 56.100 0.098 0.000 0.893 714 R CB 1.248 31.602 30.300 0.089 0.000 1.244 714 R HN 0.054 nan 8.270 nan 0.000 0.464 715 L N 0.818 122.141 121.223 0.166 0.000 2.406 715 L HA 0.488 4.829 4.340 0.001 0.000 0.272 715 L C -1.108 175.905 176.870 0.237 0.000 0.980 715 L CA -0.183 54.766 54.840 0.182 0.000 0.831 715 L CB 2.098 44.257 42.059 0.167 0.000 1.253 715 L HN 0.729 nan 8.230 nan 0.000 0.406 716 E N 3.977 124.298 120.200 0.201 0.000 2.195 716 E HA 0.831 5.181 4.350 0.001 0.000 0.271 716 E C -1.152 175.578 176.600 0.217 0.000 0.923 716 E CA -1.061 55.459 56.400 0.200 0.000 0.790 716 E CB 2.199 32.080 29.700 0.303 0.000 1.155 716 E HN 0.718 nan 8.360 nan 0.000 0.402 717 A N 1.595 124.504 122.820 0.147 0.000 2.486 717 A HA 0.618 4.938 4.320 0.001 0.000 0.300 717 A C -0.970 176.754 177.584 0.234 0.000 1.048 717 A CA -0.649 51.524 52.037 0.227 0.000 0.696 717 A CB 1.916 21.103 19.000 0.312 0.000 1.278 717 A HN 0.409 nan 8.150 nan 0.000 0.405 718 S N 0.187 116.067 115.700 0.301 0.000 2.532 718 S HA 0.724 5.194 4.470 0.001 0.000 0.299 718 S C -0.812 173.960 174.600 0.287 0.000 1.105 718 S CA -0.442 57.945 58.200 0.311 0.000 1.018 718 S CB 1.622 65.002 63.200 0.300 0.000 1.021 718 S HN 0.817 nan 8.310 nan 0.000 0.483 719 V N 2.579 122.677 119.914 0.307 0.000 2.876 719 V HA 0.892 5.012 4.120 0.001 0.000 0.312 719 V C -0.432 175.831 176.094 0.283 0.000 1.085 719 V CA -0.692 61.771 62.300 0.270 0.000 0.945 719 V CB 2.129 34.112 31.823 0.268 0.000 1.017 719 V HN 0.957 nan 8.190 nan 0.000 0.428 720 S N 0.902 116.710 115.700 0.180 0.000 2.556 720 S HA 0.593 5.064 4.470 0.001 0.000 0.271 720 S C -1.529 173.073 174.600 0.004 0.000 1.135 720 S CA -0.745 57.544 58.200 0.149 0.000 0.858 720 S CB 2.128 65.382 63.200 0.090 0.000 1.114 720 S HN 0.768 nan 8.310 nan 0.000 0.468 721 D N 1.706 122.096 120.400 -0.018 0.000 2.467 721 D HA 0.498 5.139 4.640 0.001 0.000 0.220 721 D C -1.787 174.370 176.300 -0.239 0.000 1.103 721 D CA -2.323 51.590 54.000 -0.145 0.000 0.886 721 D CB 1.415 42.169 40.800 -0.077 0.000 1.025 721 D HN 0.226 nan 8.370 nan 0.000 0.514 722 P HA -0.119 nan 4.420 nan 0.000 0.220 722 P C 1.297 178.375 177.300 -0.371 0.000 1.148 722 P CA 1.231 64.009 63.100 -0.537 0.000 0.803 722 P CB 0.089 31.054 31.700 -1.224 0.000 0.782 723 T N -3.936 110.388 114.554 -0.384 0.000 2.995 723 T HA -0.141 4.210 4.350 0.001 0.000 0.269 723 T C 1.175 175.825 174.700 -0.084 0.000 1.091 723 T CA 0.459 62.457 62.100 -0.169 0.000 1.128 723 T CB -1.065 67.732 68.868 -0.118 0.000 0.891 723 T HN 0.185 nan 8.240 nan 0.000 0.492 724 Q N -0.299 119.449 119.800 -0.088 0.000 2.461 724 Q HA -0.243 4.097 4.340 0.001 0.000 0.264 724 Q C 0.910 176.900 176.000 -0.016 0.000 1.085 724 Q CA 0.540 56.322 55.803 -0.035 0.000 1.006 724 Q CB -1.971 26.754 28.738 -0.022 0.000 1.437 724 Q HN 0.835 nan 8.270 nan 0.000 0.514 725 A N -0.209 122.596 122.820 -0.025 0.000 2.551 725 A HA 0.112 4.432 4.320 0.001 0.000 0.252 725 A C 0.245 177.824 177.584 -0.009 0.000 1.199 725 A CA -0.224 51.808 52.037 -0.008 0.000 0.972 725 A CB 0.533 19.534 19.000 0.001 0.000 1.153 725 A HN 0.248 nan 8.150 nan 0.000 0.559 726 N N 1.440 120.126 118.700 -0.022 0.000 2.420 726 N HA 0.103 4.844 4.740 0.001 0.000 0.262 726 N C -0.105 175.395 175.510 -0.016 0.000 1.144 726 N CA 0.189 53.225 53.050 -0.024 0.000 0.952 726 N CB 0.076 38.536 38.487 -0.044 0.000 1.081 726 N HN 0.418 nan 8.380 nan 0.000 0.480 727 N N 1.463 120.156 118.700 -0.011 0.000 2.383 727 N HA 0.084 4.824 4.740 0.001 0.000 0.192 727 N C 0.775 176.276 175.510 -0.015 0.000 1.141 727 N CA -0.255 52.791 53.050 -0.007 0.000 0.851 727 N CB 0.603 39.089 38.487 -0.001 0.000 0.976 727 N HN 0.582 nan 8.380 nan 0.000 0.465 728 G N -0.047 108.736 108.800 -0.027 0.000 3.054 728 G HA2 0.283 4.243 3.960 0.001 0.000 0.201 728 G HA3 0.283 4.243 3.960 0.001 0.000 0.201 728 G C -0.141 174.724 174.900 -0.058 0.000 1.694 728 G CA 0.072 45.150 45.100 -0.037 0.000 0.742 728 G HN 0.210 nan 8.290 nan 0.000 0.790 729 T N -2.154 112.358 114.554 -0.070 0.000 2.838 729 T HA 0.737 5.087 4.350 0.001 0.000 0.292 729 T C -1.153 173.483 174.700 -0.107 0.000 1.113 729 T CA -0.644 61.398 62.100 -0.097 0.000 1.008 729 T CB 1.983 70.795 68.868 -0.092 0.000 1.259 729 T HN 0.304 nan 8.240 nan 0.000 0.520 730 I N 1.052 121.542 120.570 -0.133 0.000 2.447 730 I HA 0.580 4.751 4.170 0.001 0.000 0.287 730 I C -0.077 175.920 176.117 -0.199 0.000 1.023 730 I CA -1.228 59.980 61.300 -0.154 0.000 1.083 730 I CB 1.757 39.670 38.000 -0.145 0.000 1.245 730 I HN 0.975 nan 8.210 nan 0.000 0.434 731 A N 8.080 130.767 122.820 -0.222 0.000 2.260 731 A HA 0.725 5.046 4.320 0.001 0.000 0.308 731 A C -0.506 176.846 177.584 -0.387 0.000 1.254 731 A CA -0.336 51.537 52.037 -0.273 0.000 0.874 731 A CB 0.331 19.210 19.000 -0.202 0.000 1.153 731 A HN 0.527 nan 8.150 nan 0.000 0.527 732 I N 1.489 121.695 120.570 -0.606 0.000 2.603 732 I HA 0.490 4.660 4.170 0.001 0.000 0.300 732 I C 0.065 175.798 176.117 -0.640 0.000 1.017 732 I CA -0.328 60.551 61.300 -0.701 0.000 1.098 732 I CB 1.836 39.219 38.000 -1.028 0.000 1.279 732 I HN 0.861 nan 8.210 nan 0.000 0.437 733 E N 6.006 125.966 120.200 -0.400 0.000 2.260 733 E HA 0.537 4.888 4.350 0.001 0.000 0.266 733 E C -1.884 174.610 176.600 -0.177 0.000 0.887 733 E CA -0.548 55.692 56.400 -0.266 0.000 0.777 733 E CB 1.833 31.418 29.700 -0.192 0.000 1.205 733 E HN 0.472 nan 8.360 nan 0.000 0.414 734 L N 3.279 124.414 121.223 -0.147 0.000 2.296 734 L HA 0.560 4.900 4.340 0.001 0.000 0.286 734 L C 0.395 177.209 176.870 -0.093 0.000 1.023 734 L CA -0.941 53.841 54.840 -0.096 0.000 0.812 734 L CB 1.730 43.730 42.059 -0.099 0.000 1.223 734 L HN 0.682 nan 8.230 nan 0.000 0.421 735 A N 4.562 127.347 122.820 -0.058 0.000 3.004 735 A HA 0.295 4.616 4.320 0.001 0.000 0.252 735 A C 0.198 177.755 177.584 -0.045 0.000 1.802 735 A CA -0.024 51.984 52.037 -0.047 0.000 1.424 735 A CB -0.810 18.173 19.000 -0.029 0.000 1.005 735 A HN 0.620 nan 8.150 nan 0.000 0.631 736 R N -0.480 119.982 120.500 -0.064 0.000 2.707 736 R HA 0.445 4.785 4.340 0.001 0.000 0.272 736 R C -1.076 175.185 176.300 -0.064 0.000 1.011 736 R CA -0.506 55.563 56.100 -0.053 0.000 0.893 736 R CB 1.604 31.875 30.300 -0.048 0.000 1.233 736 R HN 0.295 nan 8.270 nan 0.000 0.464 737 S N 0.371 116.051 115.700 -0.033 0.000 2.442 737 S HA 0.747 5.218 4.470 0.001 0.000 0.297 737 S C -0.701 173.901 174.600 0.003 0.000 1.131 737 S CA -0.347 57.840 58.200 -0.022 0.000 1.092 737 S CB 0.886 64.082 63.200 -0.007 0.000 0.998 737 S HN 0.622 nan 8.310 nan 0.000 0.478 738 A N 3.682 126.512 122.820 0.017 0.000 2.354 738 A HA 0.704 5.025 4.320 0.001 0.000 0.321 738 A C 0.567 178.214 177.584 0.106 0.000 1.125 738 A CA -0.562 51.528 52.037 0.088 0.000 0.799 738 A CB 0.867 19.964 19.000 0.163 0.000 1.293 738 A HN 0.828 nan 8.150 nan 0.000 0.452 739 E N 0.258 120.531 120.200 0.121 0.000 2.340 739 E HA 0.237 4.588 4.350 0.001 0.000 0.198 739 E C 0.791 177.468 176.600 0.129 0.000 0.961 739 E CA 1.009 57.469 56.400 0.101 0.000 0.905 739 E CB 0.852 30.595 29.700 0.072 0.000 0.884 739 E HN 0.834 nan 8.360 nan 0.000 0.491 740 G N 0.291 109.196 108.800 0.176 0.000 2.608 740 G HA2 0.472 4.432 3.960 0.001 0.000 0.291 740 G HA3 0.472 4.432 3.960 0.001 0.000 0.291 740 G C -1.784 173.265 174.900 0.249 0.000 1.425 740 G CA -0.606 44.604 45.100 0.182 0.000 0.787 740 G HN 0.073 nan 8.290 nan 0.000 0.484 741 Y N -1.710 118.564 120.300 -0.045 0.000 2.705 741 Y HA 0.867 5.418 4.550 0.001 0.000 0.332 741 Y C -0.578 175.174 175.900 -0.246 0.000 1.221 741 Y CA -1.305 56.642 58.100 -0.255 0.000 1.059 741 Y CB 1.632 39.845 38.460 -0.411 0.000 1.298 741 Y HN 1.278 nan 8.280 nan 0.000 0.459 742 S N 1.448 116.913 115.700 -0.391 0.000 2.566 742 S HA 0.912 5.383 4.470 0.001 0.000 0.273 742 S C -1.679 172.795 174.600 -0.209 0.000 1.157 742 S CA 0.250 58.243 58.200 -0.346 0.000 0.938 742 S CB 0.903 63.962 63.200 -0.234 0.000 1.087 742 S HN 1.855 nan 8.310 nan 0.000 0.474 743 A N 3.032 125.794 122.820 -0.097 0.000 2.587 743 A HA 0.732 5.053 4.320 0.001 0.000 0.293 743 A C -1.398 176.187 177.584 0.002 0.000 1.087 743 A CA -0.800 51.188 52.037 -0.082 0.000 0.692 743 A CB 1.059 20.001 19.000 -0.095 0.000 1.291 743 A HN 0.741 nan 8.150 nan 0.000 0.407 744 D N 2.369 122.796 120.400 0.045 0.000 2.423 744 D HA 0.333 4.974 4.640 0.001 0.000 0.238 744 D C -2.059 174.322 176.300 0.135 0.000 1.142 744 D CA -0.290 53.777 54.000 0.111 0.000 0.884 744 D CB 0.448 41.361 40.800 0.189 0.000 1.199 744 D HN 0.303 nan 8.370 nan 0.000 0.438 745 P HA 0.140 nan 4.420 nan 0.000 0.268 745 P C 0.663 178.073 177.300 0.184 0.000 1.204 745 P CA -0.031 63.140 63.100 0.118 0.000 0.768 745 P CB 0.986 32.740 31.700 0.090 0.000 0.842 746 G N 2.163 111.031 108.800 0.113 0.000 2.229 746 G HA2 -0.142 3.819 3.960 0.001 0.000 0.189 746 G HA3 -0.142 3.819 3.960 0.001 0.000 0.189 746 G C -0.100 174.759 174.900 -0.067 0.000 1.000 746 G CA -0.445 44.687 45.100 0.053 0.000 0.663 746 G HN 0.488 nan 8.290 nan 0.000 0.493 747 I N 1.790 122.366 120.570 0.009 0.000 2.441 747 I HA 0.525 4.695 4.170 0.001 0.000 0.295 747 I C -0.434 175.699 176.117 0.026 0.000 0.994 747 I CA -0.630 60.671 61.300 0.001 0.000 1.144 747 I CB 2.265 40.251 38.000 -0.024 0.000 1.314 747 I HN -0.008 nan 8.210 nan 0.000 0.445 748 T N 5.314 119.897 114.554 0.047 0.000 2.833 748 T HA 0.333 4.684 4.350 0.001 0.000 0.297 748 T C -0.275 174.444 174.700 0.031 0.000 1.015 748 T CA -0.400 61.720 62.100 0.032 0.000 0.963 748 T CB 1.432 70.316 68.868 0.026 0.000 0.955 748 T HN 0.130 nan 8.240 nan 0.000 0.449 749 V N 4.225 124.075 119.914 -0.108 0.000 2.488 749 V HA 0.290 4.410 4.120 0.001 0.000 0.277 749 V C 1.568 177.607 176.094 -0.092 0.000 1.046 749 V CA -0.044 62.154 62.300 -0.169 0.000 0.986 749 V CB 1.111 32.486 31.823 -0.746 0.000 0.989 749 V HN 1.111 nan 8.190 nan 0.000 0.475 750 T N 0.960 115.501 114.554 -0.022 0.000 3.044 750 T HA 0.284 4.634 4.350 0.001 0.000 0.260 750 T C 0.204 174.894 174.700 -0.018 0.000 1.019 750 T CA -0.087 62.002 62.100 -0.017 0.000 0.921 750 T CB 0.199 69.059 68.868 -0.013 0.000 1.053 750 T HN 0.600 nan 8.240 nan 0.000 0.533 751 Q N -0.078 119.708 119.800 -0.023 0.000 2.541 751 Q HA 0.402 4.743 4.340 0.001 0.000 0.259 751 Q C -1.099 174.888 176.000 -0.021 0.000 0.974 751 Q CA -0.482 55.310 55.803 -0.018 0.000 0.955 751 Q CB 1.472 30.194 28.738 -0.027 0.000 1.517 751 Q HN 0.259 nan 8.270 nan 0.000 0.412 752 L N 0.791 122.016 121.223 0.002 0.000 2.642 752 L HA 0.668 5.009 4.340 0.001 0.000 0.233 752 L C 0.276 177.141 176.870 -0.009 0.000 1.077 752 L CA 0.338 55.184 54.840 0.011 0.000 0.879 752 L CB 1.230 43.347 42.059 0.096 0.000 1.151 752 L HN 0.557 nan 8.230 nan 0.000 0.495 753 A N -0.165 122.653 122.820 -0.004 0.000 2.549 753 A HA 0.615 4.935 4.320 0.001 0.000 0.297 753 A C -2.148 175.429 177.584 -0.013 0.000 1.061 753 A CA -0.783 51.249 52.037 -0.008 0.000 0.690 753 A CB 0.894 19.899 19.000 0.008 0.000 1.287 753 A HN -0.130 nan 8.150 nan 0.000 0.402 754 P HA 0.006 nan 4.420 nan 0.000 0.229 754 P C 0.572 177.852 177.300 -0.033 0.000 1.160 754 P CA 1.475 64.564 63.100 -0.020 0.000 0.777 754 P CB 0.068 31.757 31.700 -0.018 0.000 0.814 755 T N -2.680 111.846 114.554 -0.046 0.000 2.916 755 T HA 0.613 4.963 4.350 0.001 0.000 0.292 755 T C -0.072 174.571 174.700 -0.095 0.000 1.064 755 T CA -0.954 61.104 62.100 -0.070 0.000 1.011 755 T CB 1.558 70.384 68.868 -0.069 0.000 1.152 755 T HN -0.172 nan 8.240 nan 0.000 0.510 756 I N 1.504 121.986 120.570 -0.148 0.000 2.428 756 I HA 0.426 4.596 4.170 0.001 0.000 0.289 756 I C 0.221 176.258 176.117 -0.135 0.000 1.019 756 I CA -0.524 60.654 61.300 -0.204 0.000 1.351 756 I CB 0.952 38.670 38.000 -0.469 0.000 1.412 756 I HN 0.514 nan 8.210 nan 0.000 0.513 757 K N 7.189 127.552 120.400 -0.061 0.000 2.535 757 K HA 0.623 4.944 4.320 0.001 0.000 0.250 757 K C -1.302 175.335 176.600 0.063 0.000 0.948 757 K CA -0.577 55.663 56.287 -0.077 0.000 0.796 757 K CB 2.335 34.780 32.500 -0.092 0.000 1.216 757 K HN 0.503 nan 8.250 nan 0.000 0.432 758 F N -1.609 118.281 119.950 -0.100 0.000 2.686 758 F HA 0.614 5.142 4.527 0.001 0.000 0.311 758 F C -0.751 174.999 175.800 -0.082 0.000 1.128 758 F CA -0.981 56.972 58.000 -0.079 0.000 0.946 758 F CB 1.356 40.338 39.000 -0.030 0.000 1.336 758 F HN 0.386 nan 8.300 nan 0.000 0.457 759 T N -0.524 114.096 114.554 0.110 0.000 2.932 759 T HA 0.824 5.174 4.350 0.001 0.000 0.289 759 T C -1.368 173.363 174.700 0.052 0.000 1.039 759 T CA -0.870 61.220 62.100 -0.017 0.000 1.024 759 T CB 1.743 70.579 68.868 -0.053 0.000 1.090 759 T HN 0.772 nan 8.240 nan 0.000 0.496 760 V N 2.608 122.479 119.914 -0.071 0.000 2.444 760 V HA 0.404 4.524 4.120 0.001 0.000 0.294 760 V C -0.442 175.469 176.094 -0.305 0.000 1.022 760 V CA -1.160 61.008 62.300 -0.221 0.000 0.850 760 V CB 1.547 33.218 31.823 -0.255 0.000 0.992 760 V HN 0.896 nan 8.190 nan 0.000 0.426 761 N N 3.515 122.009 118.700 -0.342 0.000 2.508 761 N HA 0.084 4.824 4.740 0.001 0.000 0.253 761 N C 0.867 176.215 175.510 -0.271 0.000 1.145 761 N CA 0.004 52.919 53.050 -0.226 0.000 0.973 761 N CB 1.669 40.084 38.487 -0.119 0.000 1.305 761 N HN 0.718 nan 8.380 nan 0.000 0.506 762 V N -0.403 119.399 119.914 -0.186 0.000 3.633 762 V HA 0.115 4.236 4.120 0.001 0.000 0.283 762 V C 0.801 176.913 176.094 0.030 0.000 1.305 762 V CA -0.548 61.720 62.300 -0.054 0.000 1.153 762 V CB -0.916 30.882 31.823 -0.041 0.000 0.950 762 V HN 0.298 nan 8.190 nan 0.000 0.432 763 N N 2.539 121.243 118.700 0.007 0.000 2.411 763 N HA 0.317 5.057 4.740 0.001 0.000 0.265 763 N C 1.335 176.880 175.510 0.057 0.000 1.266 763 N CA 1.461 54.526 53.050 0.024 0.000 0.889 763 N CB 0.276 38.770 38.487 0.012 0.000 1.069 763 N HN 0.701 nan 8.380 nan 0.000 0.476 764 G N 2.229 111.061 108.800 0.053 0.000 2.203 764 G HA2 -0.298 3.662 3.960 0.001 0.000 0.263 764 G HA3 -0.298 3.662 3.960 0.001 0.000 0.263 764 G C 0.920 175.872 174.900 0.087 0.000 1.012 764 G CA 0.682 45.819 45.100 0.062 0.000 0.749 764 G HN 0.940 nan 8.290 nan 0.000 0.512 765 A N -0.376 122.516 122.820 0.120 0.000 2.066 765 A HA 0.350 4.671 4.320 0.001 0.000 0.218 765 A C 1.828 179.458 177.584 0.077 0.000 1.157 765 A CA 1.852 53.987 52.037 0.164 0.000 0.670 765 A CB -0.173 19.028 19.000 0.336 0.000 0.804 765 A HN 1.083 nan 8.150 nan 0.000 0.453 766 K N -2.148 118.285 120.400 0.055 0.000 3.096 766 K HA -0.211 4.109 4.320 0.001 0.000 0.266 766 K C 0.803 177.404 176.600 0.003 0.000 1.043 766 K CA 0.994 57.297 56.287 0.027 0.000 0.758 766 K CB -2.555 29.969 32.500 0.039 0.000 1.260 766 K HN 1.682 nan 8.250 nan 0.000 0.481 767 G N 0.019 108.821 108.800 0.004 0.000 2.155 767 G HA2 -0.417 3.543 3.960 0.001 0.000 0.257 767 G HA3 -0.417 3.543 3.960 0.001 0.000 0.257 767 G C 0.175 175.063 174.900 -0.019 0.000 0.983 767 G CA 1.213 46.303 45.100 -0.018 0.000 0.676 767 G HN 0.692 nan 8.290 nan 0.000 0.528 768 K N -0.020 120.357 120.400 -0.038 0.000 2.168 768 K HA 0.644 4.964 4.320 0.001 0.000 0.258 768 K C 0.099 176.617 176.600 -0.138 0.000 1.010 768 K CA -0.111 56.095 56.287 -0.134 0.000 0.929 768 K CB 0.936 33.279 32.500 -0.262 0.000 0.998 768 K HN 0.052 nan 8.250 nan 0.000 0.479 769 S N 1.057 116.666 115.700 -0.151 0.000 2.541 769 S HA 0.432 4.902 4.470 0.001 0.000 0.283 769 S C -0.996 173.504 174.600 -0.166 0.000 1.196 769 S CA -0.698 57.488 58.200 -0.023 0.000 1.062 769 S CB 0.170 63.405 63.200 0.057 0.000 1.009 769 S HN 0.416 nan 8.310 nan 0.000 0.502 770 F N 1.637 121.649 119.950 0.103 0.000 2.458 770 F HA 0.384 4.911 4.527 0.001 0.000 0.336 770 F C 0.353 176.238 175.800 0.142 0.000 1.114 770 F CA -0.715 57.347 58.000 0.104 0.000 0.987 770 F CB 1.207 40.260 39.000 0.088 0.000 1.130 770 F HN 0.582 nan 8.300 nan 0.000 0.458 771 H N 1.784 120.948 119.070 0.157 0.000 2.499 771 H HA 0.851 5.407 4.556 0.001 0.000 0.340 771 H C -1.359 173.973 175.328 0.007 0.000 1.148 771 H CA -0.657 55.442 56.048 0.085 0.000 1.215 771 H CB 1.534 31.324 29.762 0.046 0.000 1.529 771 H HN 0.779 nan 8.280 nan 0.000 0.510 772 A N 2.844 125.203 122.820 -0.769 0.000 2.549 772 A HA 0.571 4.892 4.320 0.001 0.000 0.297 772 A C -1.248 175.828 177.584 -0.846 0.000 1.061 772 A CA -0.504 51.107 52.037 -0.710 0.000 0.690 772 A CB 1.645 20.236 19.000 -0.683 0.000 1.287 772 A HN 0.601 nan 8.150 nan 0.000 0.402 773 S N 0.774 116.040 115.700 -0.722 0.000 2.647 773 S HA 0.785 5.255 4.470 0.001 0.000 0.300 773 S C -1.494 172.783 174.600 -0.537 0.000 1.129 773 S CA -0.329 57.611 58.200 -0.434 0.000 1.029 773 S CB 0.079 63.183 63.200 -0.159 0.000 1.007 773 S HN 0.459 nan 8.310 nan 0.000 0.484 774 F N 2.621 122.569 119.950 -0.004 0.000 2.480 774 F HA 0.489 5.016 4.527 0.001 0.000 0.329 774 F C 0.504 176.328 175.800 0.040 0.000 1.091 774 F CA -0.730 57.294 58.000 0.039 0.000 0.972 774 F CB 1.619 40.638 39.000 0.033 0.000 1.150 774 F HN 0.484 nan 8.300 nan 0.000 0.467 775 Q N 3.941 123.867 119.800 0.210 0.000 2.322 775 Q HA 0.448 4.789 4.340 0.001 0.000 0.256 775 Q C -1.269 174.814 176.000 0.138 0.000 0.960 775 Q CA -0.395 55.487 55.803 0.131 0.000 0.934 775 Q CB 0.742 29.531 28.738 0.085 0.000 1.200 775 Q HN 0.693 nan 8.270 nan 0.000 0.435 776 L N 3.267 124.553 121.223 0.105 0.000 2.375 776 L HA 0.449 4.789 4.340 0.001 0.000 0.271 776 L C 1.177 178.080 176.870 0.056 0.000 1.107 776 L CA -0.649 54.238 54.840 0.079 0.000 0.806 776 L CB 0.759 42.857 42.059 0.065 0.000 1.146 776 L HN 0.824 nan 8.230 nan 0.000 0.447 777 G N 0.000 108.827 108.800 0.046 0.000 5.446 777 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 777 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 777 G CA 0.000 45.121 45.100 0.034 0.000 0.502 777 G HN 0.000 nan 8.290 nan 0.000 0.925