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 2v6o_1_A DATA FIRST_RESID 8 DATA SEQUENCE SQWLRKTVDS AAVILFSKTT CPYCKKVKDV LAEAKIKHAT IELDQLSNGS DATA SEQUENCE AIQKCLASFS KIETVPQMFV RGKFIGDSQT VLKYYSNDEL AGIVNESKYD DATA SEQUENCE YDLIVIGGGS GGLAAGKEAA KYGAKTAVLD YVEPTPIGTT WGLGGTcVNV DATA SEQUENCE GcIPKKLMHQ AGLLSHALED AEHFGWSLDR SKISHNWSTM VEGVQSHIGS DATA SEQUENCE LNWGYKVALR DNQVTYLNAK GRLISPHEVQ ITDKNQKVST ITGNKIILAT DATA SEQUENCE GERPKYPEIP GAVEYGITSD DLFSLPYFPG KTLVIGASYV ALECAGFLAS DATA SEQUENCE LGGDVTVMVR SILLRGFDQQ MAEKVGDYME NHGVKFAKLC VPDEIKQLKV DATA SEQUENCE VDTENNKPGL LLVKGHYTDG KKFEEEFETV IFAVGREPQL SKVLCETVGV DATA SEQUENCE KLDKNGRVVC TDDEQTTVSN VYAIGDINAG KPQLTPVAIQ AGRYLARRLF DATA SEQUENCE AGATELTDYS NVATTVFTPL EYGACGLSEE DAIEKYGDKD IEVYHSNFKP DATA SEQUENCE LEWTVAHRED NVCYMKLVCR KSDNMRVLGL HVLGPNAGEI TQGYAVAIKM DATA SEQUENCE GATKADFDRT IGIHPTCSET FTTLHVTKKS GVSPIV 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.715 174.600 0.192 0.000 1.055 8 S CA 0.000 58.309 58.200 0.182 0.000 1.107 8 S CB 0.000 63.273 63.200 0.122 0.000 0.593 9 Q N 0.004 119.905 119.800 0.168 0.000 2.311 9 Q HA 0.007 4.387 4.340 0.066 0.000 0.203 9 Q C 1.757 177.848 176.000 0.151 0.000 0.954 9 Q CA 1.278 57.165 55.803 0.139 0.000 0.885 9 Q CB -0.212 28.589 28.738 0.105 0.000 0.963 9 Q HN 0.676 nan 8.270 nan 0.000 0.471 10 W N 0.700 122.006 121.300 0.010 0.000 2.338 10 W HA -0.267 4.433 4.660 0.066 0.000 0.304 10 W C 1.555 178.056 176.519 -0.030 0.000 1.212 10 W CA 1.349 58.688 57.345 -0.009 0.000 1.264 10 W CB -0.327 29.126 29.460 -0.012 0.000 1.142 10 W HN 0.252 nan 8.180 nan 0.000 0.512 11 L N 1.557 122.738 121.223 -0.071 0.000 2.141 11 L HA -0.056 4.324 4.340 0.066 0.000 0.209 11 L C 2.530 179.120 176.870 -0.466 0.000 1.094 11 L CA 1.876 56.456 54.840 -0.433 0.000 0.763 11 L CB -0.840 41.151 42.059 -0.113 0.000 0.908 11 L HN -0.036 nan 8.230 nan 0.000 0.437 12 R N -0.563 119.869 120.500 -0.112 0.000 2.081 12 R HA -0.142 4.238 4.340 0.066 0.000 0.235 12 R C 2.192 178.416 176.300 -0.127 0.000 1.131 12 R CA 1.578 57.695 56.100 0.028 0.000 0.960 12 R CB -0.306 30.104 30.300 0.183 0.000 0.856 12 R HN 0.363 nan 8.270 nan 0.000 0.436 13 K N -0.345 119.952 120.400 -0.172 0.000 2.103 13 K HA -0.008 4.352 4.320 0.066 0.000 0.204 13 K C 2.067 178.486 176.600 -0.302 0.000 1.052 13 K CA 1.380 57.560 56.287 -0.179 0.000 0.945 13 K CB 0.050 32.474 32.500 -0.126 0.000 0.722 13 K HN 0.113 nan 8.250 nan 0.000 0.443 14 T N 1.150 115.393 114.554 -0.518 0.000 2.701 14 T HA -0.103 4.286 4.350 0.066 0.000 0.263 14 T C 2.050 176.502 174.700 -0.414 0.000 1.040 14 T CA 1.156 62.911 62.100 -0.575 0.000 1.147 14 T CB -0.192 68.095 68.868 -0.968 0.000 0.865 14 T HN -0.078 nan 8.240 nan 0.000 0.426 15 V N 2.082 121.696 119.914 -0.501 0.000 2.343 15 V HA -0.178 3.982 4.120 0.066 0.000 0.247 15 V C 2.342 178.314 176.094 -0.203 0.000 1.051 15 V CA 1.820 63.836 62.300 -0.473 0.000 1.036 15 V CB -0.624 30.642 31.823 -0.930 0.000 0.654 15 V HN 0.398 nan 8.190 nan 0.000 0.451 16 D N -0.618 119.688 120.400 -0.157 0.000 2.144 16 D HA -0.131 4.549 4.640 0.066 0.000 0.199 16 D C 2.372 178.665 176.300 -0.010 0.000 0.984 16 D CA 1.780 55.763 54.000 -0.028 0.000 0.834 16 D CB -0.117 40.681 40.800 -0.002 0.000 0.955 16 D HN 0.418 nan 8.370 nan 0.000 0.465 17 S N -0.880 114.773 115.700 -0.079 0.000 2.475 17 S HA 0.255 4.765 4.470 0.066 0.000 0.224 17 S C 0.841 175.409 174.600 -0.053 0.000 1.042 17 S CA 0.133 58.276 58.200 -0.095 0.000 0.935 17 S CB 0.008 63.085 63.200 -0.205 0.000 0.801 17 S HN 0.210 nan 8.310 nan 0.000 0.509 18 A N 1.137 123.932 122.820 -0.041 0.000 2.477 18 A HA 0.656 5.015 4.320 0.066 0.000 0.246 18 A C 1.335 179.045 177.584 0.210 0.000 1.078 18 A CA 0.423 52.515 52.037 0.092 0.000 0.770 18 A CB 0.083 19.069 19.000 -0.023 0.000 1.011 18 A HN 0.580 nan 8.150 nan 0.000 0.494 19 A N 2.642 125.667 122.820 0.341 0.000 1.832 19 A HA 0.333 4.693 4.320 0.066 0.000 0.214 19 A C 0.715 178.393 177.584 0.157 0.000 1.204 19 A CA 1.667 53.841 52.037 0.229 0.000 0.606 19 A CB -0.314 18.772 19.000 0.143 0.000 0.849 19 A HN 1.125 nan 8.150 nan 0.000 0.445 20 V N 0.037 120.040 119.914 0.149 0.000 2.482 20 V HA 0.576 4.736 4.120 0.066 0.000 0.295 20 V C -0.809 175.375 176.094 0.149 0.000 1.026 20 V CA -0.168 62.215 62.300 0.138 0.000 0.856 20 V CB 1.265 33.163 31.823 0.125 0.000 1.001 20 V HN 0.463 nan 8.190 nan 0.000 0.424 21 I N 4.918 125.561 120.570 0.120 0.000 2.686 21 I HA 0.663 4.873 4.170 0.066 0.000 0.295 21 I C -1.766 174.366 176.117 0.026 0.000 1.114 21 I CA -1.030 60.282 61.300 0.020 0.000 1.038 21 I CB 2.307 40.207 38.000 -0.166 0.000 1.238 21 I HN 0.602 nan 8.210 nan 0.000 0.420 22 L N 7.534 128.735 121.223 -0.037 0.000 2.343 22 L HA 0.563 4.942 4.340 0.066 0.000 0.278 22 L C -1.612 175.217 176.870 -0.069 0.000 0.996 22 L CA 0.025 54.879 54.840 0.023 0.000 0.831 22 L CB 1.207 43.272 42.059 0.009 0.000 1.232 22 L HN 0.359 nan 8.230 nan 0.000 0.413 23 F N 3.974 124.044 119.950 0.199 0.000 2.424 23 F HA 0.618 5.185 4.527 0.067 0.000 0.356 23 F C 0.801 176.691 175.800 0.150 0.000 1.110 23 F CA 0.285 58.386 58.000 0.169 0.000 1.161 23 F CB 1.471 40.584 39.000 0.189 0.000 1.115 23 F HN 0.567 nan 8.300 nan 0.000 0.507 24 S N 3.463 119.319 115.700 0.259 0.000 2.685 24 S HA 0.695 5.205 4.470 0.066 0.000 0.282 24 S C -1.260 173.432 174.600 0.153 0.000 1.159 24 S CA -0.908 57.403 58.200 0.184 0.000 0.833 24 S CB 1.528 64.812 63.200 0.139 0.000 1.151 24 S HN 0.569 nan 8.310 nan 0.000 0.485 25 K N 0.869 121.344 120.400 0.125 0.000 2.371 25 K HA 0.364 4.724 4.320 0.066 0.000 0.251 25 K C 0.802 177.449 176.600 0.078 0.000 0.934 25 K CA -0.407 55.938 56.287 0.097 0.000 0.798 25 K CB 1.647 34.202 32.500 0.092 0.000 1.204 25 K HN 0.794 nan 8.250 nan 0.000 0.427 26 T N -2.941 111.649 114.554 0.061 0.000 2.962 26 T HA -0.153 4.237 4.350 0.066 0.000 0.270 26 T C 1.652 176.375 174.700 0.038 0.000 1.088 26 T CA 1.749 63.877 62.100 0.046 0.000 1.127 26 T CB -0.353 68.535 68.868 0.035 0.000 0.883 26 T HN 0.720 nan 8.240 nan 0.000 0.493 27 T N -1.346 113.233 114.554 0.041 0.000 3.035 27 T HA 0.146 4.536 4.350 0.066 0.000 0.259 27 T C 1.237 175.957 174.700 0.033 0.000 1.078 27 T CA -0.081 62.038 62.100 0.031 0.000 1.132 27 T CB -1.087 67.799 68.868 0.031 0.000 0.900 27 T HN 0.490 nan 8.240 nan 0.000 0.480 28 C N 5.057 124.391 119.300 0.056 0.000 2.648 28 C HA 0.324 4.824 4.460 0.066 0.000 0.415 28 C C -0.358 174.654 174.990 0.037 0.000 1.366 28 C CA -1.778 57.285 59.018 0.074 0.000 1.756 28 C CB 0.770 28.589 27.740 0.131 0.000 2.549 28 C HN 0.376 nan 8.230 nan 0.000 0.597 29 P HA -0.104 nan 4.420 nan 0.000 0.217 29 P C 0.852 178.072 177.300 -0.133 0.000 1.151 29 P CA 1.672 64.690 63.100 -0.136 0.000 0.828 29 P CB -0.050 31.487 31.700 -0.272 0.000 0.788 30 Y N -0.114 120.198 120.300 0.020 0.000 2.242 30 Y HA -0.148 4.442 4.550 0.066 0.000 0.291 30 Y C 2.881 178.793 175.900 0.020 0.000 1.137 30 Y CA 0.804 58.915 58.100 0.018 0.000 1.181 30 Y CB -1.697 36.777 38.460 0.024 0.000 0.989 30 Y HN 0.031 nan 8.280 nan 0.000 0.527 31 C N -0.110 119.297 119.300 0.179 0.000 2.440 31 C HA -0.155 4.345 4.460 0.066 0.000 0.278 31 C C 2.743 177.778 174.990 0.074 0.000 1.295 31 C CA 1.031 60.122 59.018 0.121 0.000 1.738 31 C CB -0.805 27.007 27.740 0.119 0.000 1.987 31 C HN 0.504 nan 8.230 nan 0.000 0.492 32 K N 1.083 121.513 120.400 0.050 0.000 2.097 32 K HA -0.148 4.212 4.320 0.066 0.000 0.205 32 K C 2.016 178.622 176.600 0.010 0.000 1.050 32 K CA 1.283 57.585 56.287 0.024 0.000 0.938 32 K CB -0.105 32.398 32.500 0.004 0.000 0.718 32 K HN 0.445 nan 8.250 nan 0.000 0.442 33 K N 0.129 120.534 120.400 0.010 0.000 2.063 33 K HA -0.119 4.241 4.320 0.066 0.000 0.208 33 K C 1.959 178.548 176.600 -0.018 0.000 1.048 33 K CA 1.527 57.813 56.287 -0.000 0.000 0.928 33 K CB -0.006 32.510 32.500 0.025 0.000 0.713 33 K HN -0.004 nan 8.250 nan 0.000 0.442 34 V N 1.532 121.446 119.914 -0.000 0.000 2.453 34 V HA -0.207 3.953 4.120 0.066 0.000 0.247 34 V C 1.999 178.052 176.094 -0.068 0.000 1.048 34 V CA 1.559 63.834 62.300 -0.042 0.000 1.049 34 V CB -0.347 31.465 31.823 -0.018 0.000 0.672 34 V HN 0.264 nan 8.190 nan 0.000 0.457 35 K N 0.091 120.483 120.400 -0.014 0.000 2.063 35 K HA -0.198 4.162 4.320 0.066 0.000 0.208 35 K C 1.876 178.487 176.600 0.019 0.000 1.048 35 K CA 1.842 58.150 56.287 0.035 0.000 0.928 35 K CB -0.264 32.281 32.500 0.076 0.000 0.713 35 K HN 0.471 nan 8.250 nan 0.000 0.442 36 D N 0.173 120.562 120.400 -0.018 0.000 2.183 36 D HA -0.091 4.589 4.640 0.066 0.000 0.203 36 D C 1.928 178.168 176.300 -0.100 0.000 0.969 36 D CA 0.701 54.679 54.000 -0.036 0.000 0.842 36 D CB -0.092 40.690 40.800 -0.030 0.000 0.957 36 D HN -0.055 nan 8.370 nan 0.000 0.484 37 V N 1.092 120.898 119.914 -0.180 0.000 2.358 37 V HA -0.173 3.987 4.120 0.066 0.000 0.246 37 V C 2.547 178.424 176.094 -0.362 0.000 1.047 37 V CA 1.058 63.111 62.300 -0.412 0.000 1.035 37 V CB -0.312 31.217 31.823 -0.491 0.000 0.658 37 V HN 0.175 nan 8.190 nan 0.000 0.452 38 L N -0.167 120.944 121.223 -0.187 0.000 2.156 38 L HA -0.073 4.306 4.340 0.066 0.000 0.208 38 L C 2.613 179.488 176.870 0.008 0.000 1.095 38 L CA 1.288 56.078 54.840 -0.084 0.000 0.770 38 L CB -0.658 41.339 42.059 -0.103 0.000 0.914 38 L HN 0.347 nan 8.230 nan 0.000 0.439 39 A N -0.387 122.440 122.820 0.012 0.000 1.929 39 A HA -0.202 4.157 4.320 0.066 0.000 0.216 39 A C 2.266 179.858 177.584 0.012 0.000 1.176 39 A CA 1.408 53.462 52.037 0.028 0.000 0.628 39 A CB -0.326 18.689 19.000 0.026 0.000 0.816 39 A HN 0.415 nan 8.150 nan 0.000 0.444 40 E N -0.175 120.018 120.200 -0.013 0.000 2.107 40 E HA -0.041 4.349 4.350 0.066 0.000 0.191 40 E C 1.844 178.490 176.600 0.077 0.000 0.982 40 E CA 0.783 57.199 56.400 0.025 0.000 0.809 40 E CB -0.155 29.559 29.700 0.024 0.000 0.756 40 E HN 0.526 nan 8.360 nan 0.000 0.459 41 A N 0.638 123.500 122.820 0.071 0.000 2.235 41 A HA -0.004 4.356 4.320 0.066 0.000 0.208 41 A C 0.568 178.203 177.584 0.086 0.000 1.172 41 A CA 0.556 52.682 52.037 0.148 0.000 0.786 41 A CB -0.202 18.923 19.000 0.208 0.000 0.804 41 A HN 0.281 nan 8.150 nan 0.000 0.479 42 K N -1.288 119.145 120.400 0.056 0.000 3.129 42 K HA -0.163 4.197 4.320 0.066 0.000 0.273 42 K C -0.802 175.826 176.600 0.048 0.000 1.123 42 K CA 0.833 57.145 56.287 0.043 0.000 0.800 42 K CB -1.865 30.655 32.500 0.034 0.000 1.238 42 K HN 0.596 nan 8.250 nan 0.000 0.492 43 I N 1.950 122.560 120.570 0.066 0.000 2.301 43 I HA 0.084 4.294 4.170 0.066 0.000 0.292 43 I C 0.580 176.787 176.117 0.150 0.000 1.046 43 I CA -0.413 60.937 61.300 0.083 0.000 1.282 43 I CB 0.733 38.773 38.000 0.066 0.000 1.409 43 I HN 0.003 nan 8.210 nan 0.000 0.484 44 K N 5.799 126.254 120.400 0.092 0.000 2.237 44 K HA 0.420 4.779 4.320 0.066 0.000 0.270 44 K C -0.591 176.098 176.600 0.148 0.000 1.015 44 K CA -0.245 56.075 56.287 0.055 0.000 0.949 44 K CB 0.700 33.181 32.500 -0.032 0.000 0.976 44 K HN 0.688 nan 8.250 nan 0.000 0.472 45 H N -1.857 117.235 119.070 0.036 0.000 3.003 45 H HA 0.567 5.163 4.556 0.067 0.000 0.327 45 H C -1.724 173.690 175.328 0.143 0.000 1.353 45 H CA -1.222 54.871 56.048 0.074 0.000 1.142 45 H CB 0.864 30.652 29.762 0.044 0.000 1.864 45 H HN 0.564 nan 8.280 nan 0.000 0.529 46 A N 0.867 123.815 122.820 0.214 0.000 2.304 46 A HA 0.645 5.005 4.320 0.066 0.000 0.301 46 A C -0.533 177.111 177.584 0.101 0.000 1.132 46 A CA -0.238 51.877 52.037 0.130 0.000 0.819 46 A CB 0.529 19.498 19.000 -0.051 0.000 1.094 46 A HN 0.724 nan 8.150 nan 0.000 0.492 47 T N 2.942 117.516 114.554 0.033 0.000 2.840 47 T HA 0.451 4.841 4.350 0.066 0.000 0.287 47 T C -0.575 174.103 174.700 -0.036 0.000 0.991 47 T CA -0.220 61.899 62.100 0.032 0.000 0.964 47 T CB 0.729 69.657 68.868 0.100 0.000 0.954 47 T HN 0.399 nan 8.240 nan 0.000 0.438 48 I N 3.606 124.117 120.570 -0.098 0.000 2.330 48 I HA 0.245 4.454 4.170 0.066 0.000 0.286 48 I C 0.296 176.468 176.117 0.092 0.000 1.025 48 I CA -0.767 60.526 61.300 -0.012 0.000 1.197 48 I CB 1.060 39.041 38.000 -0.031 0.000 1.358 48 I HN 0.581 nan 8.210 nan 0.000 0.467 49 E N 7.083 127.334 120.200 0.083 0.000 2.052 49 E HA 0.184 4.574 4.350 0.066 0.000 0.283 49 E C 0.935 177.595 176.600 0.099 0.000 1.071 49 E CA -0.267 56.187 56.400 0.091 0.000 0.851 49 E CB 1.795 31.531 29.700 0.060 0.000 1.066 49 E HN 0.525 nan 8.360 nan 0.000 0.396 50 L N 1.967 123.267 121.223 0.129 0.000 2.313 50 L HA -0.134 4.246 4.340 0.066 0.000 0.214 50 L C 1.878 178.788 176.870 0.066 0.000 1.119 50 L CA 0.766 55.676 54.840 0.117 0.000 0.809 50 L CB -0.157 41.992 42.059 0.151 0.000 0.933 50 L HN 0.430 nan 8.230 nan 0.000 0.449 51 D N -0.502 119.934 120.400 0.060 0.000 2.317 51 D HA -0.196 4.484 4.640 0.066 0.000 0.211 51 D C 1.618 177.931 176.300 0.022 0.000 0.966 51 D CA 0.701 54.724 54.000 0.038 0.000 0.876 51 D CB -0.027 40.797 40.800 0.041 0.000 0.927 51 D HN 0.430 nan 8.370 nan 0.000 0.519 52 Q N -0.116 119.698 119.800 0.022 0.000 2.425 52 Q HA 0.237 4.616 4.340 0.066 0.000 0.204 52 Q C 0.442 176.434 176.000 -0.013 0.000 0.933 52 Q CA 0.090 55.896 55.803 0.006 0.000 0.939 52 Q CB 0.851 29.594 28.738 0.009 0.000 1.044 52 Q HN 0.316 nan 8.270 nan 0.000 0.513 53 L N 0.113 121.327 121.223 -0.015 0.000 2.334 53 L HA 0.189 4.569 4.340 0.066 0.000 0.275 53 L C 1.386 178.227 176.870 -0.048 0.000 1.036 53 L CA -0.379 54.431 54.840 -0.050 0.000 0.807 53 L CB 1.548 43.564 42.059 -0.071 0.000 1.231 53 L HN 0.052 nan 8.230 nan 0.000 0.438 54 S N 0.244 115.902 115.700 -0.069 0.000 2.387 54 S HA -0.126 4.384 4.470 0.066 0.000 0.226 54 S C 1.068 175.635 174.600 -0.055 0.000 1.026 54 S CA 1.016 59.182 58.200 -0.057 0.000 0.972 54 S CB -0.314 62.847 63.200 -0.064 0.000 0.814 54 S HN 0.846 nan 8.310 nan 0.000 0.477 55 N N 1.372 120.024 118.700 -0.080 0.000 2.279 55 N HA 0.229 5.009 4.740 0.066 0.000 0.226 55 N C 1.281 176.767 175.510 -0.040 0.000 1.126 55 N CA 0.424 53.433 53.050 -0.067 0.000 0.846 55 N CB -0.591 37.836 38.487 -0.101 0.000 1.050 55 N HN 0.429 nan 8.380 nan 0.000 0.502 56 G N 1.060 109.846 108.800 -0.022 0.000 2.432 56 G HA2 -0.290 3.710 3.960 0.066 0.000 0.219 56 G HA3 -0.290 3.710 3.960 0.066 0.000 0.219 56 G C 1.592 176.512 174.900 0.034 0.000 1.135 56 G CA 1.260 46.372 45.100 0.020 0.000 0.767 56 G HN 0.545 nan 8.290 nan 0.000 0.550 57 S N 0.891 116.602 115.700 0.019 0.000 2.406 57 S HA 0.236 4.745 4.470 0.066 0.000 0.228 57 S C 2.538 177.149 174.600 0.019 0.000 1.020 57 S CA 1.271 59.483 58.200 0.020 0.000 0.965 57 S CB -0.290 62.917 63.200 0.012 0.000 0.798 57 S HN 0.523 nan 8.310 nan 0.000 0.488 58 A N 1.678 124.507 122.820 0.015 0.000 1.968 58 A HA 0.241 4.601 4.320 0.066 0.000 0.217 58 A C 2.128 179.734 177.584 0.038 0.000 1.169 58 A CA 0.984 53.033 52.037 0.019 0.000 0.638 58 A CB -0.678 18.328 19.000 0.011 0.000 0.812 58 A HN 0.571 nan 8.150 nan 0.000 0.446 59 I N -0.762 119.839 120.570 0.052 0.000 2.286 59 I HA -0.270 3.940 4.170 0.066 0.000 0.245 59 I C 2.695 178.828 176.117 0.027 0.000 1.104 59 I CA 1.183 62.532 61.300 0.082 0.000 1.397 59 I CB -0.466 37.630 38.000 0.161 0.000 1.072 59 I HN 0.371 nan 8.210 nan 0.000 0.417 60 Q N 0.849 120.666 119.800 0.028 0.000 2.112 60 Q HA -0.305 4.075 4.340 0.066 0.000 0.206 60 Q C 2.278 178.279 176.000 0.001 0.000 0.987 60 Q CA 1.867 57.678 55.803 0.013 0.000 0.858 60 Q CB -0.173 28.583 28.738 0.030 0.000 0.905 60 Q HN 0.409 nan 8.270 nan 0.000 0.420 61 K N -0.224 120.182 120.400 0.009 0.000 2.097 61 K HA -0.106 4.253 4.320 0.066 0.000 0.205 61 K C 1.812 178.416 176.600 0.006 0.000 1.050 61 K CA 1.135 57.425 56.287 0.004 0.000 0.938 61 K CB 0.046 32.550 32.500 0.006 0.000 0.718 61 K HN 0.234 nan 8.250 nan 0.000 0.442 62 C N 0.802 120.117 119.300 0.026 0.000 2.539 62 C HA 0.126 4.626 4.460 0.066 0.000 0.268 62 C C 2.192 177.247 174.990 0.109 0.000 1.395 62 C CA -0.057 58.996 59.018 0.059 0.000 1.757 62 C CB -0.778 27.023 27.740 0.100 0.000 1.851 62 C HN 0.459 nan 8.230 nan 0.000 0.545 63 L N 1.164 122.409 121.223 0.036 0.000 2.131 63 L HA -0.130 4.249 4.340 0.066 0.000 0.210 63 L C 2.801 179.724 176.870 0.089 0.000 1.092 63 L CA 1.458 56.322 54.840 0.041 0.000 0.759 63 L CB -0.686 41.319 42.059 -0.090 0.000 0.903 63 L HN 0.318 nan 8.230 nan 0.000 0.435 64 A N -0.709 122.109 122.820 -0.003 0.000 2.125 64 A HA -0.145 4.215 4.320 0.066 0.000 0.219 64 A C 2.390 179.921 177.584 -0.088 0.000 1.156 64 A CA 1.653 53.653 52.037 -0.061 0.000 0.671 64 A CB -0.404 18.559 19.000 -0.061 0.000 0.794 64 A HN 0.380 nan 8.150 nan 0.000 0.459 65 S N -1.378 114.249 115.700 -0.121 0.000 2.515 65 S HA 0.085 4.595 4.470 0.066 0.000 0.231 65 S C 0.884 175.161 174.600 -0.538 0.000 0.987 65 S CA 0.870 58.859 58.200 -0.350 0.000 0.936 65 S CB -0.325 62.580 63.200 -0.493 0.000 0.766 65 S HN 0.655 nan 8.310 nan 0.000 0.528 66 F N 0.119 120.052 119.950 -0.027 0.000 2.747 66 F HA 0.196 4.763 4.527 0.067 0.000 0.305 66 F C 2.182 177.985 175.800 0.005 0.000 1.065 66 F CA 0.303 58.343 58.000 0.067 0.000 1.230 66 F CB 0.136 39.238 39.000 0.170 0.000 1.027 66 F HN 0.177 nan 8.300 nan 0.000 0.607 67 S N -1.237 114.429 115.700 -0.057 0.000 2.593 67 S HA 0.218 4.728 4.470 0.066 0.000 0.235 67 S C 0.969 175.298 174.600 -0.451 0.000 1.059 67 S CA -0.004 57.796 58.200 -0.667 0.000 0.953 67 S CB 0.267 62.653 63.200 -1.356 0.000 0.897 67 S HN 0.217 nan 8.310 nan 0.000 0.507 68 K N 0.377 120.642 120.400 -0.224 0.000 3.553 68 K HA -0.163 4.197 4.320 0.066 0.000 0.303 68 K C -0.104 176.413 176.600 -0.138 0.000 1.327 68 K CA 1.315 57.516 56.287 -0.143 0.000 0.983 68 K CB -2.069 30.375 32.500 -0.095 0.000 1.275 68 K HN 0.808 nan 8.250 nan 0.000 0.453 69 I N -2.821 117.629 120.570 -0.199 0.000 2.740 69 I HA 0.344 4.554 4.170 0.066 0.000 0.303 69 I C 0.403 176.461 176.117 -0.098 0.000 1.044 69 I CA -0.755 60.466 61.300 -0.132 0.000 1.064 69 I CB 1.978 39.906 38.000 -0.120 0.000 1.249 69 I HN -0.051 nan 8.210 nan 0.000 0.433 70 E N 1.626 121.796 120.200 -0.050 0.000 2.562 70 E HA 0.109 4.499 4.350 0.066 0.000 0.214 70 E C -0.106 176.495 176.600 0.002 0.000 0.979 70 E CA -0.074 56.311 56.400 -0.024 0.000 1.002 70 E CB 0.882 30.572 29.700 -0.017 0.000 1.048 70 E HN 0.874 nan 8.360 nan 0.000 0.488 71 T N -1.094 113.464 114.554 0.005 0.000 2.912 71 T HA 0.521 4.911 4.350 0.066 0.000 0.280 71 T C 0.341 175.082 174.700 0.069 0.000 0.989 71 T CA -0.880 61.237 62.100 0.029 0.000 0.995 71 T CB 1.730 70.600 68.868 0.004 0.000 1.077 71 T HN -0.079 nan 8.240 nan 0.000 0.531 72 V N -1.561 118.405 119.914 0.088 0.000 2.667 72 V HA 0.799 4.959 4.120 0.066 0.000 0.308 72 V C -2.689 173.475 176.094 0.116 0.000 1.048 72 V CA -2.585 59.795 62.300 0.134 0.000 0.928 72 V CB 1.030 32.946 31.823 0.154 0.000 1.004 72 V HN 0.919 nan 8.190 nan 0.000 0.444 73 P HA 0.468 nan 4.420 nan 0.000 0.279 73 P C -1.326 176.105 177.300 0.218 0.000 1.252 73 P CA -0.455 62.751 63.100 0.177 0.000 0.811 73 P CB 1.050 32.836 31.700 0.143 0.000 1.035 74 Q N 0.901 120.899 119.800 0.330 0.000 2.290 74 Q HA 0.500 4.880 4.340 0.066 0.000 0.269 74 Q C -0.757 175.527 176.000 0.472 0.000 1.016 74 Q CA -0.416 55.660 55.803 0.454 0.000 0.754 74 Q CB 2.482 31.549 28.738 0.548 0.000 1.247 74 Q HN 0.460 nan 8.270 nan 0.000 0.451 75 M N 3.179 122.889 119.600 0.184 0.000 2.238 75 M HA 0.525 5.045 4.480 0.066 0.000 0.350 75 M C -1.719 174.542 176.300 -0.065 0.000 1.138 75 M CA -0.367 54.993 55.300 0.099 0.000 1.040 75 M CB 0.733 33.311 32.600 -0.036 0.000 1.639 75 M HN 0.533 nan 8.290 nan 0.000 0.451 76 F N 3.477 123.516 119.950 0.148 0.000 2.520 76 F HA 0.620 5.187 4.527 0.066 0.000 0.322 76 F C -0.662 175.180 175.800 0.069 0.000 1.103 76 F CA -0.799 57.288 58.000 0.145 0.000 0.926 76 F CB 2.083 41.216 39.000 0.222 0.000 1.154 76 F HN 0.155 nan 8.300 nan 0.000 0.453 77 V N 3.522 123.554 119.914 0.197 0.000 2.409 77 V HA 0.401 4.561 4.120 0.066 0.000 0.290 77 V C -0.197 175.983 176.094 0.143 0.000 1.017 77 V CA -1.174 61.203 62.300 0.128 0.000 0.841 77 V CB 1.390 33.234 31.823 0.034 0.000 1.003 77 V HN 0.752 nan 8.190 nan 0.000 0.426 78 R N 3.781 124.374 120.500 0.156 0.000 3.333 78 R HA -0.225 4.154 4.340 0.066 0.000 0.256 78 R C 1.191 177.581 176.300 0.151 0.000 1.010 78 R CA 0.746 56.937 56.100 0.150 0.000 0.680 78 R CB -1.533 28.846 30.300 0.132 0.000 1.102 78 R HN 1.522 nan 8.270 nan 0.000 0.440 79 G N -0.958 107.948 108.800 0.176 0.000 2.194 79 G HA2 -0.329 3.671 3.960 0.066 0.000 0.236 79 G HA3 -0.329 3.671 3.960 0.066 0.000 0.236 79 G C 0.015 175.085 174.900 0.282 0.000 0.987 79 G CA 0.520 45.730 45.100 0.184 0.000 0.635 79 G HN 0.348 nan 8.290 nan 0.000 0.520 80 K N -0.174 120.401 120.400 0.293 0.000 2.270 80 K HA 0.585 4.944 4.320 0.066 0.000 0.255 80 K C -0.777 175.976 176.600 0.256 0.000 0.936 80 K CA -1.076 55.377 56.287 0.276 0.000 0.809 80 K CB 1.898 34.481 32.500 0.139 0.000 1.131 80 K HN 0.078 nan 8.250 nan 0.000 0.427 81 F N 4.196 124.140 119.950 -0.009 0.000 2.504 81 F HA 0.052 4.619 4.527 0.066 0.000 0.369 81 F C 0.621 176.272 175.800 -0.247 0.000 1.082 81 F CA -0.203 57.497 58.000 -0.500 0.000 1.216 81 F CB 0.379 39.124 39.000 -0.426 0.000 1.108 81 F HN 0.472 nan 8.300 nan 0.000 0.554 82 I N 3.976 123.988 120.570 -0.929 0.000 2.810 82 I HA 0.331 4.541 4.170 0.066 0.000 0.262 82 I C 1.183 176.865 176.117 -0.725 0.000 1.131 82 I CA 1.047 62.001 61.300 -0.577 0.000 1.453 82 I CB -0.977 36.855 38.000 -0.280 0.000 1.161 82 I HN 0.704 nan 8.210 nan 0.000 0.444 83 G N 0.896 108.948 108.800 -1.248 0.000 2.321 83 G HA2 0.230 4.230 3.960 0.066 0.000 0.298 83 G HA3 0.230 4.230 3.960 0.066 0.000 0.298 83 G C -1.370 173.329 174.900 -0.335 0.000 1.385 83 G CA -0.225 44.376 45.100 -0.832 0.000 0.856 83 G HN 0.136 nan 8.290 nan 0.000 0.584 84 D N -0.618 119.760 120.400 -0.037 0.000 2.342 84 D HA 0.471 5.151 4.640 0.066 0.000 0.284 84 D C 1.842 178.130 176.300 -0.021 0.000 1.198 84 D CA 0.547 54.581 54.000 0.056 0.000 1.061 84 D CB -0.198 40.645 40.800 0.072 0.000 1.130 84 D HN 0.458 nan 8.370 nan 0.000 0.541 85 S N -1.804 113.881 115.700 -0.026 0.000 2.355 85 S HA -0.209 4.301 4.470 0.066 0.000 0.222 85 S C 1.793 176.374 174.600 -0.031 0.000 1.031 85 S CA 1.602 59.797 58.200 -0.009 0.000 0.993 85 S CB -0.441 62.766 63.200 0.010 0.000 0.859 85 S HN 0.513 nan 8.310 nan 0.000 0.453 86 Q N -0.358 119.402 119.800 -0.066 0.000 2.123 86 Q HA -0.085 4.295 4.340 0.066 0.000 0.199 86 Q C 1.871 177.785 176.000 -0.144 0.000 0.966 86 Q CA 1.710 57.468 55.803 -0.075 0.000 0.845 86 Q CB -0.252 28.441 28.738 -0.075 0.000 0.907 86 Q HN 0.582 nan 8.270 nan 0.000 0.439 87 T N 0.088 114.523 114.554 -0.198 0.000 2.777 87 T HA -0.090 4.299 4.350 0.066 0.000 0.266 87 T C 1.873 176.254 174.700 -0.532 0.000 1.040 87 T CA 1.299 63.162 62.100 -0.396 0.000 1.141 87 T CB -0.176 68.482 68.868 -0.349 0.000 0.868 87 T HN 0.087 nan 8.240 nan 0.000 0.444 88 V N 1.255 121.037 119.914 -0.220 0.000 2.358 88 V HA -0.084 4.076 4.120 0.066 0.000 0.246 88 V C 2.403 178.499 176.094 0.003 0.000 1.047 88 V CA 1.268 63.548 62.300 -0.033 0.000 1.035 88 V CB -0.634 31.186 31.823 -0.006 0.000 0.658 88 V HN 0.306 nan 8.190 nan 0.000 0.452 89 L N 0.038 121.245 121.223 -0.027 0.000 2.201 89 L HA -0.102 4.278 4.340 0.066 0.000 0.212 89 L C 2.428 179.320 176.870 0.037 0.000 1.105 89 L CA 1.650 56.518 54.840 0.046 0.000 0.775 89 L CB -0.752 41.327 42.059 0.034 0.000 0.913 89 L HN 0.238 nan 8.230 nan 0.000 0.440 90 K N -0.787 119.550 120.400 -0.105 0.000 2.057 90 K HA -0.198 4.162 4.320 0.066 0.000 0.206 90 K C 2.195 178.761 176.600 -0.056 0.000 1.050 90 K CA 1.610 57.812 56.287 -0.141 0.000 0.935 90 K CB -0.222 32.104 32.500 -0.290 0.000 0.715 90 K HN 0.226 nan 8.250 nan 0.000 0.439 91 Y N -0.387 119.930 120.300 0.028 0.000 2.242 91 Y HA -0.193 4.397 4.550 0.066 0.000 0.291 91 Y C 2.335 178.277 175.900 0.071 0.000 1.137 91 Y CA 1.059 59.176 58.100 0.028 0.000 1.181 91 Y CB -0.997 37.469 38.460 0.010 0.000 0.989 91 Y HN 0.182 nan 8.280 nan 0.000 0.527 92 Y N 0.770 121.139 120.300 0.115 0.000 2.220 92 Y HA -0.181 4.409 4.550 0.066 0.000 0.291 92 Y C 2.669 178.591 175.900 0.038 0.000 1.129 92 Y CA 1.293 59.431 58.100 0.063 0.000 1.161 92 Y CB -0.472 38.012 38.460 0.041 0.000 0.997 92 Y HN 0.146 nan 8.280 nan 0.000 0.522 93 S N -0.608 115.109 115.700 0.028 0.000 2.406 93 S HA -0.122 4.388 4.470 0.066 0.000 0.228 93 S C 1.363 175.922 174.600 -0.067 0.000 1.020 93 S CA 1.345 59.510 58.200 -0.057 0.000 0.965 93 S CB -0.523 62.682 63.200 0.009 0.000 0.798 93 S HN 0.482 nan 8.310 nan 0.000 0.488 94 N N 1.360 120.049 118.700 -0.018 0.000 2.322 94 N HA 0.198 4.978 4.740 0.066 0.000 0.194 94 N C -0.833 174.667 175.510 -0.017 0.000 1.126 94 N CA 0.342 53.387 53.050 -0.008 0.000 0.845 94 N CB -0.130 38.375 38.487 0.029 0.000 0.976 94 N HN 0.244 nan 8.380 nan 0.000 0.475 95 D N -0.222 120.145 120.400 -0.054 0.000 2.772 95 D HA -0.186 4.494 4.640 0.066 0.000 0.233 95 D C 0.302 176.596 176.300 -0.010 0.000 1.143 95 D CA 0.811 54.774 54.000 -0.060 0.000 0.700 95 D CB -0.959 39.797 40.800 -0.073 0.000 1.076 95 D HN 0.518 nan 8.370 nan 0.000 0.430 96 E N -0.977 119.245 120.200 0.037 0.000 2.389 96 E HA 0.089 4.479 4.350 0.066 0.000 0.199 96 E C 1.886 178.471 176.600 -0.025 0.000 0.978 96 E CA -0.304 56.109 56.400 0.022 0.000 0.912 96 E CB 0.304 30.055 29.700 0.085 0.000 0.907 96 E HN 0.204 nan 8.360 nan 0.000 0.494 97 L N 1.552 122.809 121.223 0.057 0.000 2.042 97 L HA -0.172 4.208 4.340 0.066 0.000 0.210 97 L C 2.228 179.091 176.870 -0.012 0.000 1.076 97 L CA 1.967 56.832 54.840 0.042 0.000 0.749 97 L CB -0.482 41.701 42.059 0.207 0.000 0.893 97 L HN 0.074 nan 8.230 nan 0.000 0.432 98 A N -0.873 121.954 122.820 0.013 0.000 1.933 98 A HA -0.070 4.290 4.320 0.066 0.000 0.218 98 A C 2.315 179.878 177.584 -0.035 0.000 1.175 98 A CA 1.518 53.555 52.037 0.001 0.000 0.628 98 A CB -1.433 17.573 19.000 0.010 0.000 0.814 98 A HN 0.517 nan 8.150 nan 0.000 0.444 99 G N -0.454 108.313 108.800 -0.055 0.000 2.448 99 G HA2 -0.028 3.971 3.960 0.066 0.000 0.218 99 G HA3 -0.028 3.971 3.960 0.066 0.000 0.218 99 G C 1.340 176.175 174.900 -0.108 0.000 1.135 99 G CA 0.907 45.964 45.100 -0.072 0.000 0.784 99 G HN 0.359 nan 8.290 nan 0.000 0.543 100 I N 1.655 122.126 120.570 -0.166 0.000 2.286 100 I HA -0.092 4.118 4.170 0.066 0.000 0.245 100 I C 3.049 179.076 176.117 -0.149 0.000 1.104 100 I CA 1.103 62.262 61.300 -0.236 0.000 1.397 100 I CB -1.043 36.666 38.000 -0.486 0.000 1.072 100 I HN 0.202 nan 8.210 nan 0.000 0.417 101 V N -0.943 118.909 119.914 -0.103 0.000 3.041 101 V HA 0.004 4.164 4.120 0.066 0.000 0.260 101 V C 1.677 177.754 176.094 -0.028 0.000 1.105 101 V CA 1.380 63.650 62.300 -0.049 0.000 1.125 101 V CB -0.871 30.939 31.823 -0.021 0.000 0.730 101 V HN 0.254 nan 8.190 nan 0.000 0.479 102 N N 0.561 119.237 118.700 -0.039 0.000 2.353 102 N HA 0.076 4.856 4.740 0.066 0.000 0.185 102 N C 0.769 176.256 175.510 -0.038 0.000 1.098 102 N CA 0.294 53.325 53.050 -0.031 0.000 0.872 102 N CB -0.102 38.364 38.487 -0.034 0.000 0.970 102 N HN 0.757 nan 8.380 nan 0.000 0.467 103 E N 1.127 121.297 120.200 -0.049 0.000 2.406 103 E HA 0.091 4.480 4.350 0.066 0.000 0.258 103 E C -0.743 175.838 176.600 -0.032 0.000 1.043 103 E CA 0.290 56.658 56.400 -0.052 0.000 0.929 103 E CB 0.293 29.952 29.700 -0.068 0.000 0.969 103 E HN -0.063 nan 8.360 nan 0.000 0.462 104 S N 3.352 119.027 115.700 -0.042 0.000 2.550 104 S HA 0.242 4.752 4.470 0.066 0.000 0.270 104 S C 0.271 174.808 174.600 -0.106 0.000 1.145 104 S CA -0.774 57.408 58.200 -0.029 0.000 0.852 104 S CB 1.457 64.670 63.200 0.022 0.000 1.119 104 S HN 0.598 nan 8.310 nan 0.000 0.465 105 K N 0.866 121.146 120.400 -0.200 0.000 2.155 105 K HA 0.054 4.413 4.320 0.066 0.000 0.203 105 K C -0.389 175.864 176.600 -0.579 0.000 1.052 105 K CA 1.233 57.230 56.287 -0.484 0.000 0.948 105 K CB 0.011 32.024 32.500 -0.811 0.000 0.728 105 K HN 0.567 nan 8.250 nan 0.000 0.448 106 Y N -0.205 120.080 120.300 -0.025 0.000 2.621 106 Y HA 0.126 4.716 4.550 0.067 0.000 0.334 106 Y C 1.021 176.883 175.900 -0.063 0.000 1.074 106 Y CA -1.171 56.920 58.100 -0.015 0.000 1.149 106 Y CB 0.731 39.220 38.460 0.048 0.000 1.302 106 Y HN -0.172 nan 8.280 nan 0.000 0.501 107 D N -0.200 120.244 120.400 0.072 0.000 2.178 107 D HA -0.103 4.577 4.640 0.066 0.000 0.202 107 D C -0.561 175.428 176.300 -0.519 0.000 0.974 107 D CA 1.872 55.717 54.000 -0.258 0.000 0.841 107 D CB 0.049 40.669 40.800 -0.300 0.000 0.953 107 D HN 0.368 nan 8.370 nan 0.000 0.478 108 Y N -0.305 120.073 120.300 0.129 0.000 2.553 108 Y HA 0.208 4.798 4.550 0.067 0.000 0.347 108 Y C 0.898 176.869 175.900 0.119 0.000 1.019 108 Y CA -1.066 57.088 58.100 0.089 0.000 1.032 108 Y CB 1.521 40.015 38.460 0.056 0.000 1.284 108 Y HN -0.357 nan 8.280 nan 0.000 0.466 109 D N 0.659 121.208 120.400 0.249 0.000 2.194 109 D HA 0.003 4.682 4.640 0.066 0.000 0.204 109 D C -0.361 176.092 176.300 0.255 0.000 0.964 109 D CA 1.426 55.558 54.000 0.221 0.000 0.846 109 D CB 0.577 41.437 40.800 0.101 0.000 0.962 109 D HN 0.233 nan 8.370 nan 0.000 0.490 110 L N 0.640 121.972 121.223 0.181 0.000 2.470 110 L HA 0.406 4.786 4.340 0.066 0.000 0.268 110 L C -1.543 175.368 176.870 0.069 0.000 0.964 110 L CA -0.458 54.486 54.840 0.174 0.000 0.839 110 L CB 2.159 44.331 42.059 0.189 0.000 1.276 110 L HN -0.232 nan 8.230 nan 0.000 0.403 111 I N 5.715 126.319 120.570 0.056 0.000 2.382 111 I HA 0.422 4.632 4.170 0.066 0.000 0.286 111 I C -0.762 175.357 176.117 0.002 0.000 1.002 111 I CA -0.901 60.383 61.300 -0.027 0.000 1.135 111 I CB 1.859 39.854 38.000 -0.009 0.000 1.288 111 I HN 0.248 nan 8.210 nan 0.000 0.448 112 V N 7.648 127.551 119.914 -0.019 0.000 2.350 112 V HA 0.352 4.512 4.120 0.066 0.000 0.276 112 V C 0.250 176.349 176.094 0.007 0.000 1.028 112 V CA -0.409 61.897 62.300 0.011 0.000 0.860 112 V CB 1.298 33.130 31.823 0.015 0.000 0.990 112 V HN 0.479 nan 8.190 nan 0.000 0.453 113 I N 4.979 125.562 120.570 0.022 0.000 2.281 113 I HA 0.659 4.869 4.170 0.066 0.000 0.293 113 I C 0.801 176.942 176.117 0.040 0.000 1.085 113 I CA 0.136 61.452 61.300 0.027 0.000 1.257 113 I CB 0.751 38.767 38.000 0.027 0.000 1.430 113 I HN 0.852 nan 8.210 nan 0.000 0.489 114 G N 3.623 112.452 108.800 0.047 0.000 3.305 114 G HA2 0.069 4.069 3.960 0.066 0.000 0.649 114 G HA3 0.069 4.069 3.960 0.066 0.000 0.649 114 G C -0.165 174.758 174.900 0.038 0.000 1.255 114 G CA -0.651 44.480 45.100 0.052 0.000 1.137 114 G HN 0.890 nan 8.290 nan 0.000 0.535 115 G N 0.731 109.560 108.800 0.047 0.000 4.126 115 G HA2 0.682 4.681 3.960 0.066 0.000 0.282 115 G HA3 0.682 4.681 3.960 0.066 0.000 0.282 115 G C 0.750 175.607 174.900 -0.071 0.000 1.221 115 G CA 0.773 45.874 45.100 0.002 0.000 1.527 115 G HN 1.208 nan 8.290 nan 0.000 0.612 116 G N 0.150 108.909 108.800 -0.068 0.000 3.135 116 G HA2 0.422 4.422 3.960 0.066 0.000 0.159 116 G HA3 0.422 4.422 3.960 0.066 0.000 0.159 116 G C 1.194 176.011 174.900 -0.137 0.000 1.244 116 G CA 0.382 45.427 45.100 -0.090 0.000 0.965 116 G HN 0.215 nan 8.290 nan 0.000 0.599 117 S N -0.031 115.623 115.700 -0.077 0.000 2.354 117 S HA -0.106 4.403 4.470 0.066 0.000 0.219 117 S C 2.427 177.004 174.600 -0.038 0.000 1.035 117 S CA 1.820 59.986 58.200 -0.057 0.000 1.037 117 S CB -0.835 62.358 63.200 -0.011 0.000 0.956 117 S HN 0.766 nan 8.310 nan 0.000 0.428 118 G N 0.877 109.671 108.800 -0.010 0.000 2.394 118 G HA2 0.056 4.056 3.960 0.066 0.000 0.215 118 G HA3 0.056 4.056 3.960 0.066 0.000 0.215 118 G C 1.444 176.347 174.900 0.004 0.000 1.165 118 G CA 0.837 45.942 45.100 0.008 0.000 0.784 118 G HN 0.564 nan 8.290 nan 0.000 0.535 119 G N 0.996 109.792 108.800 -0.008 0.000 2.421 119 G HA2 -0.155 3.845 3.960 0.066 0.000 0.216 119 G HA3 -0.155 3.845 3.960 0.066 0.000 0.216 119 G C 1.796 176.680 174.900 -0.026 0.000 1.171 119 G CA 0.763 45.860 45.100 -0.006 0.000 0.775 119 G HN 0.411 nan 8.290 nan 0.000 0.543 120 L N 0.581 121.756 121.223 -0.080 0.000 2.156 120 L HA 0.066 4.446 4.340 0.066 0.000 0.208 120 L C 3.341 180.191 176.870 -0.034 0.000 1.095 120 L CA 0.805 55.585 54.840 -0.100 0.000 0.770 120 L CB -0.268 41.629 42.059 -0.269 0.000 0.914 120 L HN 0.296 nan 8.230 nan 0.000 0.439 121 A N 0.011 122.821 122.820 -0.017 0.000 1.930 121 A HA -0.095 4.264 4.320 0.066 0.000 0.217 121 A C 2.500 180.107 177.584 0.038 0.000 1.175 121 A CA 1.571 53.620 52.037 0.019 0.000 0.627 121 A CB -0.564 18.448 19.000 0.021 0.000 0.815 121 A HN 0.371 nan 8.150 nan 0.000 0.443 122 A N -0.580 122.264 122.820 0.039 0.000 1.929 122 A HA 0.224 4.584 4.320 0.066 0.000 0.216 122 A C 2.333 179.955 177.584 0.062 0.000 1.176 122 A CA 1.664 53.741 52.037 0.067 0.000 0.628 122 A CB -1.149 17.891 19.000 0.066 0.000 0.816 122 A HN 0.638 nan 8.150 nan 0.000 0.444 123 G N -0.164 108.652 108.800 0.026 0.000 2.402 123 G HA2 -0.180 3.820 3.960 0.066 0.000 0.216 123 G HA3 -0.180 3.820 3.960 0.066 0.000 0.216 123 G C 1.682 176.572 174.900 -0.017 0.000 1.162 123 G CA 0.996 46.097 45.100 0.002 0.000 0.777 123 G HN 0.545 nan 8.290 nan 0.000 0.539 124 K N 0.025 120.418 120.400 -0.013 0.000 2.057 124 K HA -0.035 4.324 4.320 0.066 0.000 0.206 124 K C 2.377 178.944 176.600 -0.055 0.000 1.050 124 K CA 1.259 57.526 56.287 -0.033 0.000 0.935 124 K CB -0.068 32.423 32.500 -0.015 0.000 0.715 124 K HN 0.237 nan 8.250 nan 0.000 0.439 125 E N 1.034 121.228 120.200 -0.010 0.000 2.106 125 E HA -0.128 4.262 4.350 0.066 0.000 0.192 125 E C 1.718 178.329 176.600 0.019 0.000 0.984 125 E CA 1.342 57.745 56.400 0.004 0.000 0.806 125 E CB -0.080 29.690 29.700 0.117 0.000 0.750 125 E HN 0.295 nan 8.360 nan 0.000 0.458 126 A N 0.610 123.469 122.820 0.066 0.000 1.898 126 A HA 0.014 4.374 4.320 0.066 0.000 0.216 126 A C 2.395 179.880 177.584 -0.166 0.000 1.181 126 A CA 1.730 53.786 52.037 0.031 0.000 0.620 126 A CB -0.878 18.094 19.000 -0.046 0.000 0.819 126 A HN 0.360 nan 8.150 nan 0.000 0.442 127 A N -0.373 122.352 122.820 -0.159 0.000 2.067 127 A HA -0.122 4.238 4.320 0.066 0.000 0.219 127 A C 2.055 179.526 177.584 -0.189 0.000 1.158 127 A CA 1.778 53.719 52.037 -0.160 0.000 0.661 127 A CB -0.415 18.519 19.000 -0.111 0.000 0.801 127 A HN 0.547 nan 8.150 nan 0.000 0.452 128 K N -1.340 118.883 120.400 -0.295 0.000 2.147 128 K HA -0.146 4.214 4.320 0.066 0.000 0.205 128 K C 0.386 176.688 176.600 -0.496 0.000 1.049 128 K CA 1.346 57.357 56.287 -0.460 0.000 0.936 128 K CB -0.182 31.902 32.500 -0.693 0.000 0.722 128 K HN 0.600 nan 8.250 nan 0.000 0.446 129 Y N -0.518 119.739 120.300 -0.072 0.000 2.571 129 Y HA 0.282 4.872 4.550 0.066 0.000 0.275 129 Y C 1.081 176.953 175.900 -0.047 0.000 1.179 129 Y CA 0.017 58.086 58.100 -0.051 0.000 1.242 129 Y CB 0.732 39.203 38.460 0.017 0.000 1.126 129 Y HN 0.241 nan 8.280 nan 0.000 0.524 130 G N 0.017 108.816 108.800 -0.002 0.000 2.141 130 G HA2 -0.193 3.807 3.960 0.066 0.000 0.242 130 G HA3 -0.193 3.807 3.960 0.066 0.000 0.242 130 G C 0.289 175.147 174.900 -0.069 0.000 0.982 130 G CA -0.129 44.969 45.100 -0.004 0.000 0.662 130 G HN 0.654 nan 8.290 nan 0.000 0.527 131 A N 0.320 123.006 122.820 -0.224 0.000 2.404 131 A HA 0.603 4.963 4.320 0.066 0.000 0.273 131 A C 0.684 178.138 177.584 -0.217 0.000 1.144 131 A CA 0.375 52.166 52.037 -0.411 0.000 0.806 131 A CB 0.325 18.571 19.000 -1.256 0.000 1.080 131 A HN 0.524 nan 8.150 nan 0.000 0.509 132 K N 2.872 123.228 120.400 -0.072 0.000 2.351 132 K HA 0.180 4.540 4.320 0.066 0.000 0.287 132 K C -0.637 176.036 176.600 0.122 0.000 1.068 132 K CA 0.448 56.771 56.287 0.060 0.000 0.998 132 K CB -0.024 32.541 32.500 0.110 0.000 0.968 132 K HN 0.696 nan 8.250 nan 0.000 0.464 133 T N 2.214 116.798 114.554 0.050 0.000 2.829 133 T HA 0.579 4.969 4.350 0.066 0.000 0.280 133 T C -0.982 173.619 174.700 -0.166 0.000 0.999 133 T CA -0.823 61.248 62.100 -0.049 0.000 0.983 133 T CB 1.775 70.591 68.868 -0.087 0.000 0.968 133 T HN 0.562 nan 8.240 nan 0.000 0.446 134 A N 2.566 125.155 122.820 -0.387 0.000 2.335 134 A HA 0.723 5.083 4.320 0.066 0.000 0.304 134 A C -0.615 176.819 177.584 -0.251 0.000 1.118 134 A CA -0.660 51.069 52.037 -0.513 0.000 0.757 134 A CB 0.971 19.222 19.000 -1.248 0.000 1.188 134 A HN 0.681 nan 8.150 nan 0.000 0.460 135 V N 3.785 123.634 119.914 -0.108 0.000 2.427 135 V HA 0.416 4.575 4.120 0.066 0.000 0.286 135 V C -0.241 175.863 176.094 0.016 0.000 1.034 135 V CA -0.262 62.032 62.300 -0.010 0.000 0.893 135 V CB 1.213 33.069 31.823 0.055 0.000 0.982 135 V HN 0.742 nan 8.190 nan 0.000 0.452 136 L N 4.300 125.525 121.223 0.004 0.000 2.296 136 L HA 0.678 5.058 4.340 0.066 0.000 0.286 136 L C -0.830 176.082 176.870 0.071 0.000 1.023 136 L CA -0.309 54.528 54.840 -0.006 0.000 0.812 136 L CB 1.639 43.683 42.059 -0.026 0.000 1.223 136 L HN 0.574 nan 8.230 nan 0.000 0.421 137 D N 1.812 122.277 120.400 0.108 0.000 2.863 137 D HA 0.422 5.102 4.640 0.066 0.000 0.245 137 D C -1.765 174.645 176.300 0.184 0.000 1.211 137 D CA -0.218 53.887 54.000 0.175 0.000 0.888 137 D CB 1.641 42.612 40.800 0.285 0.000 1.483 137 D HN 0.330 nan 8.370 nan 0.000 0.533 138 Y N 3.653 123.958 120.300 0.010 0.000 2.396 138 Y HA 0.534 5.124 4.550 0.067 0.000 0.332 138 Y C -1.877 173.982 175.900 -0.068 0.000 1.034 138 Y CA -0.884 57.196 58.100 -0.033 0.000 1.057 138 Y CB 1.503 39.936 38.460 -0.045 0.000 1.220 138 Y HN 0.170 nan 8.280 nan 0.000 0.440 139 V N 6.572 126.036 119.914 -0.751 0.000 2.318 139 V HA 0.209 4.369 4.120 0.066 0.000 0.271 139 V C 0.014 175.359 176.094 -1.249 0.000 1.030 139 V CA -0.738 61.018 62.300 -0.907 0.000 0.844 139 V CB 1.000 32.247 31.823 -0.960 0.000 1.015 139 V HN 0.800 nan 8.190 nan 0.000 0.460 140 E N 6.991 126.533 120.200 -1.098 0.000 2.299 140 E HA 0.199 4.589 4.350 0.066 0.000 0.272 140 E C -2.280 174.071 176.600 -0.415 0.000 1.043 140 E CA -1.576 54.432 56.400 -0.654 0.000 0.895 140 E CB 0.916 30.469 29.700 -0.244 0.000 1.011 140 E HN 0.445 nan 8.360 nan 0.000 0.432 141 P HA -0.037 nan 4.420 nan 0.000 0.267 141 P C -0.483 176.764 177.300 -0.088 0.000 1.200 141 P CA -0.102 62.878 63.100 -0.200 0.000 0.772 141 P CB 0.554 32.197 31.700 -0.096 0.000 0.855 142 T N 0.385 114.928 114.554 -0.019 0.000 2.802 142 T HA 0.123 4.512 4.350 0.066 0.000 0.305 142 T C -1.623 173.108 174.700 0.053 0.000 1.053 142 T CA -1.215 60.934 62.100 0.082 0.000 1.058 142 T CB -0.475 68.503 68.868 0.184 0.000 0.988 142 T HN 0.201 nan 8.240 nan 0.000 0.539 143 P HA -0.127 nan 4.420 nan 0.000 0.218 143 P C 1.472 178.777 177.300 0.008 0.000 1.150 143 P CA 1.271 64.358 63.100 -0.021 0.000 0.841 143 P CB -0.323 31.313 31.700 -0.107 0.000 0.784 144 I N -6.341 114.265 120.570 0.060 0.000 3.419 144 I HA 0.369 4.579 4.170 0.066 0.000 0.286 144 I C 1.187 177.346 176.117 0.069 0.000 1.268 144 I CA 0.733 62.077 61.300 0.072 0.000 1.414 144 I CB -0.497 37.572 38.000 0.116 0.000 1.074 144 I HN 0.049 nan 8.210 nan 0.000 0.457 145 G N 1.405 110.241 108.800 0.060 0.000 2.141 145 G HA2 -0.190 3.810 3.960 0.066 0.000 0.164 145 G HA3 -0.190 3.810 3.960 0.066 0.000 0.164 145 G C 0.062 174.992 174.900 0.051 0.000 1.009 145 G CA -0.002 45.123 45.100 0.042 0.000 0.677 145 G HN 0.372 nan 8.290 nan 0.000 0.508 146 T N 1.321 115.927 114.554 0.088 0.000 2.761 146 T HA 0.574 4.963 4.350 0.066 0.000 0.296 146 T C 0.278 175.000 174.700 0.035 0.000 0.934 146 T CA 0.876 63.061 62.100 0.142 0.000 1.091 146 T CB 1.935 70.959 68.868 0.260 0.000 0.896 146 T HN 0.495 nan 8.240 nan 0.000 0.515 147 T N 2.654 117.212 114.554 0.007 0.000 2.901 147 T HA 0.762 5.152 4.350 0.066 0.000 0.293 147 T C -1.730 172.990 174.700 0.034 0.000 1.084 147 T CA -0.900 61.036 62.100 -0.274 0.000 1.008 147 T CB 0.929 69.635 68.868 -0.270 0.000 1.170 147 T HN 0.761 nan 8.240 nan 0.000 0.509 148 W N 0.442 121.755 121.300 0.020 0.000 3.039 148 W HA 0.827 5.530 4.660 0.071 0.000 0.354 148 W C 0.043 176.583 176.519 0.036 0.000 1.206 148 W CA -1.065 56.300 57.345 0.033 0.000 1.134 148 W CB 0.142 29.623 29.460 0.035 0.000 1.493 148 W HN 0.888 nan 8.180 nan 0.000 0.591 149 G N 0.297 109.299 108.800 0.338 0.000 2.510 149 G HA2 0.453 4.453 3.960 0.066 0.000 0.280 149 G HA3 0.453 4.453 3.960 0.066 0.000 0.280 149 G C -1.228 173.812 174.900 0.234 0.000 1.386 149 G CA -1.030 44.203 45.100 0.221 0.000 1.047 149 G HN 0.804 nan 8.290 nan 0.000 0.527 150 L N -0.029 121.277 121.223 0.139 0.000 2.416 150 L HA 0.539 4.919 4.340 0.066 0.000 0.272 150 L C 1.139 178.031 176.870 0.036 0.000 1.161 150 L CA 1.789 56.659 54.840 0.050 0.000 0.845 150 L CB 1.081 43.046 42.059 -0.158 0.000 1.119 150 L HN 0.989 nan 8.230 nan 0.000 0.464 151 G N 1.685 110.440 108.800 -0.075 0.000 3.465 151 G HA2 0.377 4.377 3.960 0.066 0.000 0.219 151 G HA3 0.377 4.377 3.960 0.066 0.000 0.219 151 G C 0.585 175.400 174.900 -0.142 0.000 0.984 151 G CA 0.126 45.098 45.100 -0.214 0.000 0.864 151 G HN 1.715 nan 8.290 nan 0.000 0.485 152 G N -0.876 107.935 108.800 0.017 0.000 2.548 152 G HA2 0.141 4.141 3.960 0.066 0.000 0.208 152 G HA3 0.141 4.141 3.960 0.066 0.000 0.208 152 G C 0.753 175.678 174.900 0.042 0.000 1.308 152 G CA 0.613 45.749 45.100 0.060 0.000 0.924 152 G HN 1.017 nan 8.290 nan 0.000 0.540 153 T N -0.409 114.163 114.554 0.030 0.000 2.701 153 T HA -0.168 4.222 4.350 0.066 0.000 0.263 153 T C 2.472 177.105 174.700 -0.112 0.000 1.040 153 T CA 2.658 64.734 62.100 -0.040 0.000 1.147 153 T CB -0.721 68.165 68.868 0.030 0.000 0.865 153 T HN 1.134 nan 8.240 nan 0.000 0.426 154 c N 1.405 119.971 118.600 -0.058 0.000 2.398 154 c HA -0.092 4.517 4.570 0.066 0.000 0.276 154 c C 2.787 176.806 174.090 -0.117 0.000 1.222 154 c CA 0.876 57.165 56.329 -0.067 0.000 1.746 154 c CB -1.254 41.244 42.510 -0.020 0.000 2.039 154 c HN 0.389 nan 8.230 nan 0.000 0.470 155 V N 1.605 121.466 119.914 -0.088 0.000 2.358 155 V HA -0.145 4.015 4.120 0.066 0.000 0.246 155 V C 2.302 178.299 176.094 -0.161 0.000 1.047 155 V CA 2.368 64.626 62.300 -0.071 0.000 1.035 155 V CB -0.659 31.189 31.823 0.043 0.000 0.658 155 V HN 0.593 nan 8.190 nan 0.000 0.452 156 N N 0.295 118.848 118.700 -0.244 0.000 2.349 156 N HA 0.003 4.783 4.740 0.066 0.000 0.180 156 N C 1.175 176.383 175.510 -0.503 0.000 1.024 156 N CA 1.739 54.559 53.050 -0.383 0.000 0.869 156 N CB 0.691 38.814 38.487 -0.607 0.000 1.022 156 N HN 0.524 nan 8.380 nan 0.000 0.433 157 V N -2.757 116.822 119.914 -0.557 0.000 3.017 157 V HA 0.658 4.818 4.120 0.066 0.000 0.354 157 V C 0.501 176.484 176.094 -0.186 0.000 1.389 157 V CA -0.306 61.787 62.300 -0.344 0.000 1.163 157 V CB 0.521 32.012 31.823 -0.554 0.000 1.178 157 V HN 0.154 nan 8.190 nan 0.000 0.547 158 G N -0.010 108.589 108.800 -0.335 0.000 3.359 158 G HA2 0.216 4.216 3.960 0.066 0.000 0.187 158 G HA3 0.216 4.216 3.960 0.066 0.000 0.187 158 G C 0.972 175.714 174.900 -0.264 0.000 1.294 158 G CA 0.641 45.632 45.100 -0.181 0.000 0.769 158 G HN 0.300 nan 8.290 nan 0.000 0.733 159 c N 1.038 119.560 118.600 -0.130 0.000 2.393 159 c HA -0.019 4.591 4.570 0.066 0.000 0.276 159 c C 2.771 176.716 174.090 -0.242 0.000 1.215 159 c CA 0.511 56.766 56.329 -0.124 0.000 1.743 159 c CB -1.380 41.098 42.510 -0.053 0.000 2.044 159 c HN 0.411 nan 8.230 nan 0.000 0.464 160 I N 2.650 123.082 120.570 -0.229 0.000 2.091 160 I HA -0.130 4.080 4.170 0.066 0.000 0.239 160 I C 0.088 176.018 176.117 -0.311 0.000 1.061 160 I CA 1.965 63.140 61.300 -0.209 0.000 1.317 160 I CB -2.793 35.135 38.000 -0.120 0.000 1.031 160 I HN 0.260 nan 8.210 nan 0.000 0.401 161 P HA -0.145 nan 4.420 nan 0.000 0.223 161 P C 1.602 178.468 177.300 -0.723 0.000 1.151 161 P CA 1.273 64.001 63.100 -0.620 0.000 0.787 161 P CB -0.080 31.112 31.700 -0.847 0.000 0.788 162 K N 1.396 121.345 120.400 -0.753 0.000 2.001 162 K HA -0.125 4.235 4.320 0.066 0.000 0.208 162 K C 2.076 178.560 176.600 -0.192 0.000 1.048 162 K CA 1.385 57.496 56.287 -0.292 0.000 0.932 162 K CB -0.393 32.068 32.500 -0.066 0.000 0.715 162 K HN -0.014 nan 8.250 nan 0.000 0.437 163 K N 0.675 120.918 120.400 -0.262 0.000 2.217 163 K HA 0.003 4.363 4.320 0.066 0.000 0.202 163 K C 2.280 178.772 176.600 -0.181 0.000 1.051 163 K CA 0.392 56.529 56.287 -0.249 0.000 0.952 163 K CB 0.077 32.294 32.500 -0.471 0.000 0.736 163 K HN 0.134 nan 8.250 nan 0.000 0.453 164 L N 0.234 121.313 121.223 -0.239 0.000 2.093 164 L HA -0.130 4.250 4.340 0.066 0.000 0.208 164 L C 2.434 179.149 176.870 -0.258 0.000 1.085 164 L CA 1.059 55.762 54.840 -0.229 0.000 0.755 164 L CB -0.176 41.748 42.059 -0.225 0.000 0.904 164 L HN 0.221 nan 8.230 nan 0.000 0.435 165 M N -1.549 117.825 119.600 -0.376 0.000 2.349 165 M HA -0.167 4.353 4.480 0.066 0.000 0.266 165 M C 2.257 178.314 176.300 -0.405 0.000 1.076 165 M CA 1.115 56.073 55.300 -0.569 0.000 1.126 165 M CB -0.450 31.444 32.600 -1.176 0.000 1.392 165 M HN 0.254 nan 8.290 nan 0.000 0.440 166 H N 0.438 119.331 119.070 -0.295 0.000 2.387 166 H HA -0.185 4.403 4.556 0.054 0.000 0.299 166 H C 2.024 177.334 175.328 -0.030 0.000 1.090 166 H CA 2.107 58.151 56.048 -0.007 0.000 1.332 166 H CB 0.012 29.812 29.762 0.063 0.000 1.386 166 H HN 0.269 nan 8.280 nan 0.000 0.516 167 Q N 0.466 120.128 119.800 -0.230 0.000 2.079 167 Q HA -0.004 4.376 4.340 0.066 0.000 0.200 167 Q C 2.403 178.281 176.000 -0.204 0.000 0.974 167 Q CA 1.893 57.547 55.803 -0.250 0.000 0.840 167 Q CB -0.749 27.884 28.738 -0.174 0.000 0.898 167 Q HN 0.533 nan 8.270 nan 0.000 0.430 168 A N -0.268 122.444 122.820 -0.180 0.000 1.972 168 A HA -0.047 4.313 4.320 0.066 0.000 0.219 168 A C 2.237 179.710 177.584 -0.184 0.000 1.169 168 A CA 1.599 53.543 52.037 -0.156 0.000 0.635 168 A CB -1.234 17.680 19.000 -0.143 0.000 0.810 168 A HN 0.554 nan 8.150 nan 0.000 0.446 169 G N -0.649 108.056 108.800 -0.160 0.000 2.421 169 G HA2 -0.019 3.981 3.960 0.066 0.000 0.217 169 G HA3 -0.019 3.981 3.960 0.066 0.000 0.217 169 G C 1.486 176.245 174.900 -0.235 0.000 1.143 169 G CA 0.771 45.786 45.100 -0.140 0.000 0.784 169 G HN 0.427 nan 8.290 nan 0.000 0.541 170 L N 0.090 121.167 121.223 -0.244 0.000 2.156 170 L HA 0.044 4.424 4.340 0.066 0.000 0.208 170 L C 2.538 179.334 176.870 -0.124 0.000 1.095 170 L CA 0.039 54.756 54.840 -0.204 0.000 0.770 170 L CB -0.171 41.743 42.059 -0.242 0.000 0.914 170 L HN 0.097 nan 8.230 nan 0.000 0.439 171 L N -0.730 120.418 121.223 -0.125 0.000 2.201 171 L HA -0.169 4.210 4.340 0.066 0.000 0.212 171 L C 2.756 179.596 176.870 -0.050 0.000 1.105 171 L CA 1.476 56.269 54.840 -0.078 0.000 0.775 171 L CB -1.420 40.593 42.059 -0.077 0.000 0.913 171 L HN 0.227 nan 8.230 nan 0.000 0.440 172 S N -1.024 114.618 115.700 -0.096 0.000 2.383 172 S HA -0.219 4.291 4.470 0.066 0.000 0.229 172 S C 1.845 176.506 174.600 0.102 0.000 1.030 172 S CA 1.412 59.582 58.200 -0.049 0.000 1.002 172 S CB -0.211 62.894 63.200 -0.158 0.000 0.829 172 S HN 0.640 nan 8.310 nan 0.000 0.467 173 H N -0.780 118.298 119.070 0.013 0.000 2.563 173 H HA 0.374 4.967 4.556 0.061 0.000 0.264 173 H C 2.189 177.537 175.328 0.033 0.000 0.957 173 H CA 0.318 56.381 56.048 0.025 0.000 1.173 173 H CB 0.129 29.900 29.762 0.015 0.000 1.420 173 H HN 0.499 nan 8.280 nan 0.000 0.551 174 A N 0.987 123.879 122.820 0.120 0.000 1.970 174 A HA -0.046 4.314 4.320 0.066 0.000 0.216 174 A C 2.122 179.736 177.584 0.050 0.000 1.170 174 A CA 0.610 52.683 52.037 0.060 0.000 0.645 174 A CB -0.409 18.587 19.000 -0.007 0.000 0.816 174 A HN 0.257 nan 8.150 nan 0.000 0.447 175 L N -0.669 120.583 121.223 0.049 0.000 2.093 175 L HA -0.168 4.211 4.340 0.066 0.000 0.208 175 L C 2.500 179.419 176.870 0.082 0.000 1.085 175 L CA 1.461 56.325 54.840 0.040 0.000 0.755 175 L CB -0.516 41.563 42.059 0.033 0.000 0.904 175 L HN 0.440 nan 8.230 nan 0.000 0.435 176 E N 0.018 120.290 120.200 0.120 0.000 2.072 176 E HA -0.194 4.196 4.350 0.066 0.000 0.191 176 E C 1.665 178.388 176.600 0.204 0.000 0.985 176 E CA 1.192 57.670 56.400 0.131 0.000 0.801 176 E CB -0.019 29.760 29.700 0.131 0.000 0.750 176 E HN 0.441 nan 8.360 nan 0.000 0.452 177 D N 0.612 121.165 120.400 0.255 0.000 2.178 177 D HA -0.079 4.601 4.640 0.066 0.000 0.202 177 D C 1.866 178.464 176.300 0.497 0.000 0.974 177 D CA 1.045 55.294 54.000 0.416 0.000 0.841 177 D CB -0.264 40.744 40.800 0.347 0.000 0.953 177 D HN 0.142 nan 8.370 nan 0.000 0.478 178 A N 1.185 124.191 122.820 0.309 0.000 1.948 178 A HA -0.253 4.106 4.320 0.066 0.000 0.220 178 A C 2.038 179.875 177.584 0.422 0.000 1.177 178 A CA 1.596 53.843 52.037 0.351 0.000 0.636 178 A CB -0.572 18.488 19.000 0.099 0.000 0.815 178 A HN 0.233 nan 8.150 nan 0.000 0.449 179 E N -1.075 119.252 120.200 0.211 0.000 2.110 179 E HA -0.200 4.190 4.350 0.066 0.000 0.193 179 E C 1.869 178.478 176.600 0.015 0.000 0.988 179 E CA 1.245 57.684 56.400 0.065 0.000 0.804 179 E CB -0.303 29.328 29.700 -0.115 0.000 0.745 179 E HN 0.741 nan 8.360 nan 0.000 0.458 180 H N -0.975 118.206 119.070 0.185 0.000 2.462 180 H HA -0.036 4.559 4.556 0.064 0.000 0.292 180 H C 1.288 176.590 175.328 -0.044 0.000 1.049 180 H CA 0.776 56.863 56.048 0.064 0.000 1.334 180 H CB -0.041 29.735 29.762 0.023 0.000 1.404 180 H HN 0.169 nan 8.280 nan 0.000 0.544 181 F N 0.005 120.099 119.950 0.240 0.000 2.731 181 F HA 0.223 4.798 4.527 0.079 0.000 0.304 181 F C 1.653 177.501 175.800 0.080 0.000 1.133 181 F CA 0.601 58.713 58.000 0.187 0.000 1.380 181 F CB 0.575 39.729 39.000 0.256 0.000 1.079 181 F HN 0.266 nan 8.300 nan 0.000 0.550 182 G N -1.366 107.526 108.800 0.153 0.000 2.201 182 G HA2 -0.272 3.727 3.960 0.066 0.000 0.212 182 G HA3 -0.272 3.727 3.960 0.066 0.000 0.212 182 G C -0.140 174.693 174.900 -0.111 0.000 0.994 182 G CA -0.754 44.322 45.100 -0.040 0.000 0.644 182 G HN 0.229 nan 8.290 nan 0.000 0.508 183 W N 2.839 124.190 121.300 0.085 0.000 2.356 183 W HA 0.530 5.229 4.660 0.066 0.000 0.311 183 W C 1.151 177.687 176.519 0.028 0.000 1.328 183 W CA 0.153 57.531 57.345 0.055 0.000 1.251 183 W CB 1.003 30.499 29.460 0.061 0.000 1.280 183 W HN 0.411 nan 8.180 nan 0.000 0.524 184 S N 4.301 120.134 115.700 0.222 0.000 2.443 184 S HA 0.491 5.001 4.470 0.066 0.000 0.284 184 S C -0.872 173.818 174.600 0.151 0.000 1.206 184 S CA -0.568 57.713 58.200 0.136 0.000 1.074 184 S CB 0.417 63.667 63.200 0.083 0.000 0.963 184 S HN 0.459 nan 8.310 nan 0.000 0.501 185 L N 2.573 123.860 121.223 0.107 0.000 2.464 185 L HA 0.530 4.910 4.340 0.066 0.000 0.266 185 L C -1.304 175.594 176.870 0.046 0.000 0.965 185 L CA -0.262 54.626 54.840 0.081 0.000 0.833 185 L CB 2.332 44.441 42.059 0.084 0.000 1.296 185 L HN 0.670 nan 8.230 nan 0.000 0.405 186 D N 3.108 123.530 120.400 0.036 0.000 2.500 186 D HA 0.208 4.888 4.640 0.066 0.000 0.219 186 D C 0.993 177.306 176.300 0.022 0.000 1.137 186 D CA 0.002 54.017 54.000 0.024 0.000 0.946 186 D CB 0.607 41.420 40.800 0.021 0.000 1.022 186 D HN 0.516 nan 8.370 nan 0.000 0.518 187 R N 1.733 122.245 120.500 0.021 0.000 2.235 187 R HA 0.009 4.389 4.340 0.066 0.000 0.213 187 R C 0.529 176.841 176.300 0.021 0.000 1.059 187 R CA 0.189 56.303 56.100 0.024 0.000 0.997 187 R CB 0.181 30.497 30.300 0.026 0.000 0.884 187 R HN 0.211 nan 8.270 nan 0.000 0.462 188 S N 0.862 116.571 115.700 0.016 0.000 2.488 188 S HA 0.117 4.626 4.470 0.066 0.000 0.278 188 S C -0.294 174.314 174.600 0.012 0.000 1.259 188 S CA 0.176 58.384 58.200 0.013 0.000 1.061 188 S CB 0.206 63.411 63.200 0.009 0.000 0.910 188 S HN 0.430 nan 8.310 nan 0.000 0.491 189 K N 2.364 122.771 120.400 0.011 0.000 3.392 189 K HA -0.103 4.257 4.320 0.066 0.000 0.288 189 K C -0.778 175.829 176.600 0.012 0.000 1.373 189 K CA 0.573 56.866 56.287 0.009 0.000 0.873 189 K CB -1.722 30.783 32.500 0.008 0.000 1.547 189 K HN 0.638 nan 8.250 nan 0.000 0.491 190 I N 1.990 122.571 120.570 0.018 0.000 2.382 190 I HA 0.193 4.403 4.170 0.066 0.000 0.286 190 I C 0.311 176.448 176.117 0.033 0.000 1.002 190 I CA -0.437 60.877 61.300 0.023 0.000 1.135 190 I CB 1.659 39.675 38.000 0.027 0.000 1.288 190 I HN 0.157 nan 8.210 nan 0.000 0.448 191 S N 3.751 119.471 115.700 0.034 0.000 2.632 191 S HA 0.562 5.072 4.470 0.066 0.000 0.289 191 S C -0.988 173.663 174.600 0.084 0.000 1.115 191 S CA -0.843 57.387 58.200 0.049 0.000 0.889 191 S CB 1.975 65.183 63.200 0.014 0.000 1.116 191 S HN 0.631 nan 8.310 nan 0.000 0.486 192 H N 1.173 120.250 119.070 0.012 0.000 2.459 192 H HA 0.515 5.112 4.556 0.068 0.000 0.332 192 H C -0.647 174.707 175.328 0.044 0.000 1.094 192 H CA -0.408 55.659 56.048 0.032 0.000 1.224 192 H CB 0.969 30.767 29.762 0.061 0.000 1.449 192 H HN 0.633 nan 8.280 nan 0.000 0.484 193 N N 5.592 123.984 118.700 -0.515 0.000 2.439 193 N HA -0.054 4.726 4.740 0.066 0.000 0.249 193 N C 0.730 175.998 175.510 -0.404 0.000 1.003 193 N CA -0.366 52.495 53.050 -0.315 0.000 0.942 193 N CB 0.387 38.766 38.487 -0.180 0.000 1.115 193 N HN 0.810 nan 8.380 nan 0.000 0.505 194 W N 4.180 125.374 121.300 -0.177 0.000 2.355 194 W HA -0.146 4.554 4.660 0.066 0.000 0.309 194 W C 0.839 177.381 176.519 0.039 0.000 1.206 194 W CA 1.088 58.465 57.345 0.053 0.000 1.284 194 W CB -0.289 29.309 29.460 0.231 0.000 1.145 194 W HN 0.439 nan 8.180 nan 0.000 0.502 195 S N 0.640 116.448 115.700 0.179 0.000 2.382 195 S HA -0.172 4.338 4.470 0.066 0.000 0.228 195 S C 1.653 176.210 174.600 -0.071 0.000 1.027 195 S CA 2.101 60.341 58.200 0.066 0.000 0.991 195 S CB -0.652 62.664 63.200 0.193 0.000 0.823 195 S HN 0.278 nan 8.310 nan 0.000 0.469 196 T N 2.262 116.763 114.554 -0.088 0.000 2.821 196 T HA -0.009 4.381 4.350 0.066 0.000 0.267 196 T C 1.756 176.367 174.700 -0.147 0.000 1.046 196 T CA 1.113 63.148 62.100 -0.108 0.000 1.139 196 T CB -0.253 68.547 68.868 -0.115 0.000 0.871 196 T HN 0.350 nan 8.240 nan 0.000 0.454 197 M N 0.981 120.456 119.600 -0.208 0.000 2.099 197 M HA -0.084 4.436 4.480 0.066 0.000 0.262 197 M C 2.190 178.333 176.300 -0.262 0.000 1.067 197 M CA 1.492 56.673 55.300 -0.197 0.000 1.124 197 M CB -0.312 32.215 32.600 -0.122 0.000 1.353 197 M HN 0.075 nan 8.290 nan 0.000 0.410 198 V N 1.128 120.808 119.914 -0.390 0.000 2.332 198 V HA -0.256 3.904 4.120 0.066 0.000 0.248 198 V C 2.384 178.376 176.094 -0.171 0.000 1.055 198 V CA 1.856 63.944 62.300 -0.353 0.000 1.038 198 V CB -0.880 30.686 31.823 -0.429 0.000 0.651 198 V HN 0.486 nan 8.190 nan 0.000 0.450 199 E N 0.516 120.640 120.200 -0.125 0.000 2.085 199 E HA -0.170 4.220 4.350 0.066 0.000 0.194 199 E C 2.337 178.897 176.600 -0.066 0.000 0.994 199 E CA 1.540 57.898 56.400 -0.069 0.000 0.801 199 E CB -0.692 28.979 29.700 -0.049 0.000 0.743 199 E HN 0.631 nan 8.360 nan 0.000 0.453 200 G N 0.663 109.411 108.800 -0.086 0.000 2.408 200 G HA2 -0.155 3.844 3.960 0.066 0.000 0.217 200 G HA3 -0.155 3.844 3.960 0.066 0.000 0.217 200 G C 1.838 176.699 174.900 -0.065 0.000 1.150 200 G CA 0.699 45.754 45.100 -0.075 0.000 0.776 200 G HN 0.172 nan 8.290 nan 0.000 0.542 201 V N 0.385 120.243 119.914 -0.094 0.000 2.323 201 V HA -0.132 4.027 4.120 0.066 0.000 0.244 201 V C 2.901 178.973 176.094 -0.036 0.000 1.041 201 V CA 1.590 63.840 62.300 -0.083 0.000 1.025 201 V CB -0.284 31.450 31.823 -0.150 0.000 0.656 201 V HN 0.268 nan 8.190 nan 0.000 0.451 202 Q N -0.521 119.253 119.800 -0.045 0.000 2.224 202 Q HA -0.109 4.270 4.340 0.066 0.000 0.203 202 Q C 2.507 178.503 176.000 -0.006 0.000 0.970 202 Q CA 1.563 57.355 55.803 -0.018 0.000 0.865 202 Q CB -0.510 28.225 28.738 -0.005 0.000 0.922 202 Q HN 0.603 nan 8.270 nan 0.000 0.445 203 S N -0.181 115.515 115.700 -0.006 0.000 2.383 203 S HA -0.176 4.333 4.470 0.066 0.000 0.227 203 S C 1.842 176.454 174.600 0.021 0.000 1.026 203 S CA 1.309 59.507 58.200 -0.003 0.000 0.981 203 S CB -0.086 63.106 63.200 -0.014 0.000 0.818 203 S HN 0.535 nan 8.310 nan 0.000 0.472 204 H N 0.859 119.892 119.070 -0.061 0.000 2.395 204 H HA 0.208 4.806 4.556 0.070 0.000 0.299 204 H C 1.794 177.097 175.328 -0.042 0.000 1.070 204 H CA 1.764 57.776 56.048 -0.060 0.000 1.356 204 H CB -0.369 29.345 29.762 -0.080 0.000 1.401 204 H HN 0.430 nan 8.280 nan 0.000 0.524 205 I N -0.114 120.372 120.570 -0.140 0.000 2.286 205 I HA -0.169 4.040 4.170 0.066 0.000 0.248 205 I C 2.698 178.765 176.117 -0.083 0.000 1.115 205 I CA 1.228 62.436 61.300 -0.154 0.000 1.392 205 I CB -0.551 37.403 38.000 -0.076 0.000 1.065 205 I HN 0.443 nan 8.210 nan 0.000 0.418 206 G N 0.582 109.361 108.800 -0.035 0.000 2.422 206 G HA2 -0.274 3.726 3.960 0.066 0.000 0.218 206 G HA3 -0.274 3.726 3.960 0.066 0.000 0.218 206 G C 1.796 176.713 174.900 0.027 0.000 1.146 206 G CA 1.095 46.203 45.100 0.012 0.000 0.769 206 G HN 0.520 nan 8.290 nan 0.000 0.547 207 S N 0.163 115.844 115.700 -0.032 0.000 2.428 207 S HA 0.112 4.622 4.470 0.066 0.000 0.230 207 S C 2.272 176.886 174.600 0.023 0.000 1.014 207 S CA 0.696 58.907 58.200 0.018 0.000 0.957 207 S CB -0.217 62.970 63.200 -0.023 0.000 0.784 207 S HN 0.288 nan 8.310 nan 0.000 0.499 208 L N 1.424 122.566 121.223 -0.136 0.000 2.095 208 L HA 0.008 4.388 4.340 0.066 0.000 0.204 208 L C 2.458 179.315 176.870 -0.022 0.000 1.080 208 L CA 0.871 55.600 54.840 -0.186 0.000 0.759 208 L CB -0.706 41.211 42.059 -0.237 0.000 0.914 208 L HN 0.251 nan 8.230 nan 0.000 0.439 209 N N -0.358 118.391 118.700 0.083 0.000 2.069 209 N HA -0.258 4.522 4.740 0.066 0.000 0.191 209 N C 1.480 177.069 175.510 0.131 0.000 1.031 209 N CA 1.472 54.609 53.050 0.145 0.000 0.852 209 N CB -0.522 38.046 38.487 0.136 0.000 1.018 209 N HN 0.435 nan 8.380 nan 0.000 0.423 210 W N 1.876 123.150 121.300 -0.043 0.000 2.388 210 W HA 0.071 4.769 4.660 0.064 0.000 0.294 210 W C 2.260 178.728 176.519 -0.085 0.000 1.212 210 W CA 1.584 58.898 57.345 -0.052 0.000 1.271 210 W CB -0.633 28.799 29.460 -0.047 0.000 1.126 210 W HN 0.050 nan 8.180 nan 0.000 0.535 211 G N -0.700 108.062 108.800 -0.064 0.000 2.422 211 G HA2 -0.331 3.669 3.960 0.066 0.000 0.218 211 G HA3 -0.331 3.669 3.960 0.066 0.000 0.218 211 G C 1.137 175.792 174.900 -0.407 0.000 1.146 211 G CA 1.179 46.088 45.100 -0.319 0.000 0.769 211 G HN 0.339 nan 8.290 nan 0.000 0.547 212 Y N 0.859 121.033 120.300 -0.210 0.000 2.263 212 Y HA 0.092 4.681 4.550 0.065 0.000 0.292 212 Y C 2.821 178.537 175.900 -0.306 0.000 1.130 212 Y CA 1.002 58.967 58.100 -0.226 0.000 1.179 212 Y CB -0.058 38.287 38.460 -0.191 0.000 0.998 212 Y HN 0.107 nan 8.280 nan 0.000 0.532 213 K N -0.459 119.810 120.400 -0.218 0.000 2.026 213 K HA -0.138 4.221 4.320 0.066 0.000 0.208 213 K C 2.020 178.439 176.600 -0.301 0.000 1.048 213 K CA 1.660 57.767 56.287 -0.300 0.000 0.929 213 K CB -0.527 31.815 32.500 -0.263 0.000 0.713 213 K HN 0.112 nan 8.250 nan 0.000 0.439 214 V N 1.297 120.926 119.914 -0.474 0.000 2.358 214 V HA -0.227 3.933 4.120 0.066 0.000 0.246 214 V C 2.340 178.262 176.094 -0.287 0.000 1.047 214 V CA 1.962 63.979 62.300 -0.472 0.000 1.035 214 V CB -0.604 30.731 31.823 -0.813 0.000 0.658 214 V HN 0.349 nan 8.190 nan 0.000 0.452 215 A N -0.218 122.450 122.820 -0.253 0.000 1.933 215 A HA -0.136 4.224 4.320 0.066 0.000 0.218 215 A C 2.189 179.713 177.584 -0.101 0.000 1.175 215 A CA 1.685 53.630 52.037 -0.153 0.000 0.628 215 A CB -0.484 18.447 19.000 -0.116 0.000 0.814 215 A HN 0.515 nan 8.150 nan 0.000 0.444 216 L N -1.316 119.851 121.223 -0.094 0.000 2.109 216 L HA -0.091 4.289 4.340 0.066 0.000 0.207 216 L C 2.740 179.579 176.870 -0.050 0.000 1.086 216 L CA 1.414 56.218 54.840 -0.060 0.000 0.760 216 L CB -0.407 41.620 42.059 -0.053 0.000 0.910 216 L HN 0.422 nan 8.230 nan 0.000 0.437 217 R N 0.255 120.711 120.500 -0.073 0.000 2.092 217 R HA -0.157 4.223 4.340 0.066 0.000 0.231 217 R C 1.648 177.914 176.300 -0.057 0.000 1.119 217 R CA 1.657 57.724 56.100 -0.054 0.000 0.970 217 R CB -0.030 30.226 30.300 -0.073 0.000 0.864 217 R HN 0.284 nan 8.270 nan 0.000 0.440 218 D N 0.067 120.418 120.400 -0.081 0.000 2.183 218 D HA -0.084 4.596 4.640 0.066 0.000 0.203 218 D C 0.786 177.050 176.300 -0.061 0.000 0.969 218 D CA 1.081 55.037 54.000 -0.072 0.000 0.842 218 D CB -0.185 40.561 40.800 -0.090 0.000 0.957 218 D HN 0.244 nan 8.370 nan 0.000 0.484 219 N N 0.147 118.810 118.700 -0.063 0.000 2.322 219 N HA 0.028 4.808 4.740 0.066 0.000 0.194 219 N C -0.356 175.125 175.510 -0.048 0.000 1.126 219 N CA 0.047 53.059 53.050 -0.063 0.000 0.845 219 N CB 0.355 38.800 38.487 -0.071 0.000 0.976 219 N HN -0.130 nan 8.380 nan 0.000 0.475 220 Q N -1.431 118.350 119.800 -0.032 0.000 2.494 220 Q HA -0.132 4.247 4.340 0.066 0.000 0.272 220 Q C -1.074 174.927 176.000 0.003 0.000 1.145 220 Q CA 0.454 56.251 55.803 -0.010 0.000 0.943 220 Q CB -2.091 26.642 28.738 -0.008 0.000 1.338 220 Q HN 0.120 nan 8.270 nan 0.000 0.492 221 V N 0.600 120.511 119.914 -0.005 0.000 2.432 221 V HA 0.267 4.426 4.120 0.066 0.000 0.275 221 V C 0.863 176.974 176.094 0.030 0.000 1.043 221 V CA -0.160 62.140 62.300 -0.000 0.000 0.925 221 V CB 1.731 33.544 31.823 -0.016 0.000 0.985 221 V HN 0.209 nan 8.190 nan 0.000 0.466 222 T N 5.830 120.399 114.554 0.025 0.000 2.743 222 T HA 0.173 4.563 4.350 0.066 0.000 0.290 222 T C -0.431 174.287 174.700 0.029 0.000 0.908 222 T CA 0.204 62.327 62.100 0.039 0.000 1.092 222 T CB -0.506 68.404 68.868 0.069 0.000 0.882 222 T HN 0.539 nan 8.240 nan 0.000 0.531 223 Y N 5.025 125.300 120.300 -0.043 0.000 2.365 223 Y HA 0.506 5.097 4.550 0.067 0.000 0.340 223 Y C -0.878 175.008 175.900 -0.024 0.000 1.016 223 Y CA -1.505 56.570 58.100 -0.041 0.000 1.196 223 Y CB 0.353 38.797 38.460 -0.026 0.000 1.167 223 Y HN 0.506 nan 8.280 nan 0.000 0.509 224 L N 6.690 127.566 121.223 -0.577 0.000 2.342 224 L HA 0.279 4.659 4.340 0.066 0.000 0.276 224 L C -0.225 176.234 176.870 -0.685 0.000 0.997 224 L CA -0.838 53.678 54.840 -0.541 0.000 0.838 224 L CB 1.203 43.116 42.059 -0.243 0.000 1.224 224 L HN 0.609 nan 8.230 nan 0.000 0.416 225 N N 3.499 121.765 118.700 -0.723 0.000 2.744 225 N HA 0.380 5.160 4.740 0.066 0.000 0.290 225 N C -0.756 174.665 175.510 -0.148 0.000 1.206 225 N CA 0.130 52.965 53.050 -0.358 0.000 1.119 225 N CB 0.214 38.599 38.487 -0.170 0.000 1.449 225 N HN 0.705 nan 8.380 nan 0.000 0.514 226 A N 1.933 124.685 122.820 -0.115 0.000 2.572 226 A HA 0.400 4.760 4.320 0.066 0.000 0.295 226 A C -0.702 176.833 177.584 -0.082 0.000 1.072 226 A CA -0.962 51.005 52.037 -0.116 0.000 0.691 226 A CB 1.071 19.995 19.000 -0.126 0.000 1.291 226 A HN 0.422 nan 8.150 nan 0.000 0.404 227 K N 1.465 121.732 120.400 -0.221 0.000 2.316 227 K HA 0.430 4.790 4.320 0.066 0.000 0.289 227 K C 0.360 176.910 176.600 -0.085 0.000 1.070 227 K CA 0.190 56.369 56.287 -0.181 0.000 0.928 227 K CB 0.407 32.634 32.500 -0.455 0.000 1.039 227 K HN 0.868 nan 8.250 nan 0.000 0.480 228 G N 3.620 112.411 108.800 -0.015 0.000 2.377 228 G HA2 0.322 4.322 3.960 0.066 0.000 0.299 228 G HA3 0.322 4.322 3.960 0.066 0.000 0.299 228 G C -1.034 173.866 174.900 -0.001 0.000 1.150 228 G CA -0.611 44.483 45.100 -0.010 0.000 0.847 228 G HN 0.676 nan 8.290 nan 0.000 0.501 229 R N 2.359 122.857 120.500 -0.004 0.000 2.531 229 R HA 0.230 4.610 4.340 0.066 0.000 0.293 229 R C -1.370 174.933 176.300 0.004 0.000 1.124 229 R CA -0.856 55.244 56.100 0.001 0.000 0.945 229 R CB 1.253 31.549 30.300 -0.006 0.000 1.195 229 R HN 0.431 nan 8.270 nan 0.000 0.433 230 L N 7.647 128.872 121.223 0.004 0.000 2.462 230 L HA 0.193 4.573 4.340 0.066 0.000 0.283 230 L C 1.065 177.937 176.870 0.003 0.000 1.166 230 L CA 0.321 55.163 54.840 0.002 0.000 0.964 230 L CB 0.357 42.411 42.059 -0.008 0.000 1.294 230 L HN 0.786 nan 8.230 nan 0.000 0.449 231 I N 0.580 121.156 120.570 0.011 0.000 2.546 231 I HA 0.091 4.301 4.170 0.066 0.000 0.255 231 I C 0.795 176.921 176.117 0.016 0.000 1.163 231 I CA 0.572 61.880 61.300 0.013 0.000 1.457 231 I CB -0.347 37.663 38.000 0.018 0.000 1.092 231 I HN 0.625 nan 8.210 nan 0.000 0.434 232 S N -1.216 114.497 115.700 0.021 0.000 2.607 232 S HA 0.522 5.032 4.470 0.066 0.000 0.273 232 S C -2.311 172.288 174.600 -0.001 0.000 1.148 232 S CA -1.152 57.062 58.200 0.024 0.000 0.833 232 S CB 1.516 64.750 63.200 0.057 0.000 1.130 232 S HN -0.234 nan 8.310 nan 0.000 0.470 233 P HA -0.150 nan 4.420 nan 0.000 0.219 233 P C 0.505 177.608 177.300 -0.328 0.000 1.153 233 P CA 1.931 64.927 63.100 -0.174 0.000 0.865 233 P CB -0.148 31.460 31.700 -0.154 0.000 0.788 234 H N -3.291 115.772 119.070 -0.012 0.000 2.874 234 H HA 0.237 4.833 4.556 0.066 0.000 0.264 234 H C 0.312 175.644 175.328 0.005 0.000 1.007 234 H CA -0.189 55.822 56.048 -0.062 0.000 1.207 234 H CB 0.286 29.996 29.762 -0.086 0.000 1.487 234 H HN 0.159 nan 8.280 nan 0.000 0.505 235 E N 1.396 121.672 120.200 0.127 0.000 2.174 235 E HA 0.363 4.752 4.350 0.066 0.000 0.282 235 E C -0.927 175.710 176.600 0.062 0.000 0.992 235 E CA -0.561 55.903 56.400 0.106 0.000 0.803 235 E CB 2.471 32.229 29.700 0.097 0.000 1.090 235 E HN -0.053 nan 8.360 nan 0.000 0.396 236 V N 3.653 123.606 119.914 0.065 0.000 2.378 236 V HA 0.152 4.312 4.120 0.066 0.000 0.288 236 V C -0.132 175.982 176.094 0.034 0.000 1.016 236 V CA -0.842 61.481 62.300 0.040 0.000 0.840 236 V CB 1.384 33.228 31.823 0.035 0.000 0.994 236 V HN 0.659 nan 8.190 nan 0.000 0.431 237 Q N 5.098 124.909 119.800 0.017 0.000 2.288 237 Q HA 0.561 4.941 4.340 0.066 0.000 0.258 237 Q C -0.749 175.243 176.000 -0.013 0.000 0.957 237 Q CA -0.385 55.421 55.803 0.005 0.000 0.919 237 Q CB 1.113 29.850 28.738 -0.002 0.000 1.185 237 Q HN 0.870 nan 8.270 nan 0.000 0.408 238 I N 0.798 121.357 120.570 -0.019 0.000 2.433 238 I HA 0.528 4.738 4.170 0.066 0.000 0.292 238 I C -0.895 175.183 176.117 -0.066 0.000 1.001 238 I CA -0.740 60.533 61.300 -0.045 0.000 1.119 238 I CB 2.288 40.266 38.000 -0.037 0.000 1.289 238 I HN 0.288 nan 8.210 nan 0.000 0.438 239 T N 4.373 118.863 114.554 -0.107 0.000 2.791 239 T HA 0.352 4.742 4.350 0.066 0.000 0.288 239 T C -0.422 174.181 174.700 -0.162 0.000 0.999 239 T CA -0.568 61.455 62.100 -0.129 0.000 0.952 239 T CB 1.038 69.812 68.868 -0.157 0.000 0.938 239 T HN 0.807 nan 8.240 nan 0.000 0.444 240 D N 1.970 122.300 120.400 -0.118 0.000 2.469 240 D HA 0.171 4.850 4.640 0.066 0.000 0.278 240 D C 1.406 177.643 176.300 -0.105 0.000 1.231 240 D CA -0.850 53.085 54.000 -0.108 0.000 1.075 240 D CB 0.667 41.423 40.800 -0.074 0.000 1.121 240 D HN 0.474 nan 8.370 nan 0.000 0.571 241 K N -0.719 119.642 120.400 -0.066 0.000 2.211 241 K HA -0.107 4.252 4.320 0.066 0.000 0.203 241 K C 0.745 177.325 176.600 -0.033 0.000 1.050 241 K CA 1.221 57.485 56.287 -0.038 0.000 0.945 241 K CB -0.608 31.888 32.500 -0.007 0.000 0.732 241 K HN 0.328 nan 8.250 nan 0.000 0.451 242 N N 0.836 119.515 118.700 -0.035 0.000 2.383 242 N HA -0.000 4.779 4.740 0.066 0.000 0.192 242 N C -0.499 174.990 175.510 -0.035 0.000 1.141 242 N CA -0.086 52.947 53.050 -0.027 0.000 0.851 242 N CB 0.408 38.883 38.487 -0.020 0.000 0.976 242 N HN 0.110 nan 8.380 nan 0.000 0.465 243 Q N -0.409 119.358 119.800 -0.054 0.000 2.489 243 Q HA -0.224 4.156 4.340 0.066 0.000 0.259 243 Q C -0.336 175.633 176.000 -0.051 0.000 0.934 243 Q CA 0.913 56.680 55.803 -0.060 0.000 1.131 243 Q CB -1.691 27.018 28.738 -0.047 0.000 1.472 243 Q HN 0.554 nan 8.270 nan 0.000 0.560 244 K N 0.880 121.252 120.400 -0.047 0.000 2.339 244 K HA 0.370 4.729 4.320 0.066 0.000 0.286 244 K C -0.317 176.258 176.600 -0.042 0.000 1.050 244 K CA -0.137 56.128 56.287 -0.037 0.000 0.956 244 K CB 0.788 33.271 32.500 -0.029 0.000 0.990 244 K HN -0.068 nan 8.250 nan 0.000 0.475 245 V N 4.194 124.088 119.914 -0.033 0.000 2.398 245 V HA 0.332 4.492 4.120 0.066 0.000 0.286 245 V C -0.307 175.776 176.094 -0.018 0.000 1.026 245 V CA -0.455 61.827 62.300 -0.031 0.000 0.868 245 V CB 1.126 32.932 31.823 -0.029 0.000 0.982 245 V HN 1.003 nan 8.190 nan 0.000 0.443 246 S N 2.826 118.518 115.700 -0.013 0.000 2.671 246 S HA 0.746 5.256 4.470 0.066 0.000 0.277 246 S C -0.717 173.890 174.600 0.012 0.000 1.165 246 S CA -0.831 57.370 58.200 0.001 0.000 0.822 246 S CB 2.319 65.522 63.200 0.004 0.000 1.150 246 S HN 0.524 nan 8.310 nan 0.000 0.479 247 T N 1.807 116.377 114.554 0.026 0.000 2.824 247 T HA 0.667 5.057 4.350 0.066 0.000 0.282 247 T C -0.234 174.506 174.700 0.068 0.000 0.993 247 T CA -0.585 61.541 62.100 0.043 0.000 0.967 247 T CB 0.560 69.453 68.868 0.043 0.000 0.960 247 T HN 0.788 nan 8.240 nan 0.000 0.441 248 I N 0.258 120.885 120.570 0.095 0.000 2.530 248 I HA 0.790 5.000 4.170 0.066 0.000 0.297 248 I C 0.036 176.259 176.117 0.176 0.000 1.011 248 I CA -0.975 60.418 61.300 0.154 0.000 1.107 248 I CB 2.192 40.333 38.000 0.235 0.000 1.285 248 I HN 0.577 nan 8.210 nan 0.000 0.436 249 T N 1.460 116.139 114.554 0.208 0.000 2.859 249 T HA 0.851 5.241 4.350 0.066 0.000 0.281 249 T C -0.050 174.816 174.700 0.276 0.000 1.005 249 T CA -0.721 61.528 62.100 0.248 0.000 1.025 249 T CB 1.601 70.663 68.868 0.324 0.000 0.977 249 T HN 1.102 nan 8.240 nan 0.000 0.458 250 G N 1.179 110.064 108.800 0.142 0.000 2.719 250 G HA2 0.403 4.402 3.960 0.066 0.000 0.298 250 G HA3 0.403 4.402 3.960 0.066 0.000 0.298 250 G C 0.266 175.018 174.900 -0.247 0.000 1.411 250 G CA -0.822 44.318 45.100 0.067 0.000 0.991 250 G HN 0.624 nan 8.290 nan 0.000 0.509 251 N N 0.443 118.990 118.700 -0.256 0.000 2.039 251 N HA -0.064 4.716 4.740 0.066 0.000 0.193 251 N C 0.587 176.114 175.510 0.028 0.000 1.044 251 N CA 1.204 54.109 53.050 -0.242 0.000 0.847 251 N CB 0.060 38.611 38.487 0.107 0.000 1.030 251 N HN 0.316 nan 8.380 nan 0.000 0.422 252 K N 0.656 121.127 120.400 0.119 0.000 2.182 252 K HA 0.306 4.666 4.320 0.066 0.000 0.262 252 K C -0.666 176.008 176.600 0.125 0.000 0.957 252 K CA -0.614 55.762 56.287 0.148 0.000 0.842 252 K CB 2.025 34.639 32.500 0.190 0.000 1.099 252 K HN 0.111 nan 8.250 nan 0.000 0.438 253 I N 4.022 124.661 120.570 0.116 0.000 2.436 253 I HA 0.402 4.612 4.170 0.066 0.000 0.289 253 I C 0.051 176.256 176.117 0.147 0.000 1.010 253 I CA -0.764 60.586 61.300 0.084 0.000 1.098 253 I CB 1.184 39.185 38.000 0.002 0.000 1.266 253 I HN 0.450 nan 8.210 nan 0.000 0.434 254 I N 6.624 127.264 120.570 0.117 0.000 2.355 254 I HA 0.313 4.523 4.170 0.066 0.000 0.288 254 I C -0.267 175.899 176.117 0.081 0.000 0.999 254 I CA -0.543 60.830 61.300 0.123 0.000 1.163 254 I CB 1.417 39.478 38.000 0.102 0.000 1.316 254 I HN 0.278 nan 8.210 nan 0.000 0.454 255 L N 6.932 128.202 121.223 0.080 0.000 2.278 255 L HA 0.527 4.907 4.340 0.066 0.000 0.287 255 L C 0.524 177.429 176.870 0.058 0.000 1.072 255 L CA -0.100 54.773 54.840 0.055 0.000 0.819 255 L CB 0.979 43.063 42.059 0.041 0.000 1.176 255 L HN 0.719 nan 8.230 nan 0.000 0.435 256 A N 1.186 124.036 122.820 0.050 0.000 3.365 256 A HA 0.275 4.635 4.320 0.066 0.000 0.258 256 A C 0.850 178.462 177.584 0.047 0.000 0.964 256 A CA -0.199 51.867 52.037 0.048 0.000 0.988 256 A CB -0.048 18.978 19.000 0.043 0.000 1.193 256 A HN 0.731 nan 8.150 nan 0.000 0.508 257 T N -2.928 111.656 114.554 0.050 0.000 3.067 257 T HA 0.429 4.819 4.350 0.066 0.000 0.261 257 T C 1.398 176.135 174.700 0.063 0.000 1.110 257 T CA 1.102 63.236 62.100 0.057 0.000 1.113 257 T CB -0.218 68.683 68.868 0.056 0.000 0.917 257 T HN 2.102 nan 8.240 nan 0.000 0.499 258 G N 1.161 109.996 108.800 0.059 0.000 2.601 258 G HA2 -0.164 3.836 3.960 0.066 0.000 0.252 258 G HA3 -0.164 3.836 3.960 0.066 0.000 0.252 258 G C -0.760 174.181 174.900 0.069 0.000 1.294 258 G CA -0.117 45.023 45.100 0.066 0.000 0.912 258 G HN 0.654 nan 8.290 nan 0.000 0.574 259 E N -0.357 119.890 120.200 0.079 0.000 2.378 259 E HA 0.730 5.120 4.350 0.066 0.000 0.265 259 E C -0.302 176.356 176.600 0.097 0.000 0.932 259 E CA -1.117 55.330 56.400 0.078 0.000 0.795 259 E CB 1.624 31.366 29.700 0.070 0.000 1.296 259 E HN 0.431 nan 8.360 nan 0.000 0.438 260 R N 0.835 121.391 120.500 0.092 0.000 2.744 260 R HA 0.457 4.837 4.340 0.066 0.000 0.279 260 R C -2.697 173.653 176.300 0.083 0.000 0.977 260 R CA -2.546 53.621 56.100 0.111 0.000 0.906 260 R CB 1.081 31.453 30.300 0.120 0.000 1.197 260 R HN 0.323 nan 8.270 nan 0.000 0.463 261 P HA 0.064 nan 4.420 nan 0.000 0.266 261 P C -0.460 176.824 177.300 -0.027 0.000 1.195 261 P CA 0.118 63.215 63.100 -0.004 0.000 0.768 261 P CB 0.595 32.265 31.700 -0.049 0.000 0.838 262 K N 2.275 122.636 120.400 -0.065 0.000 2.144 262 K HA 0.336 4.696 4.320 0.066 0.000 0.270 262 K C -0.555 175.932 176.600 -0.189 0.000 1.005 262 K CA -0.299 55.962 56.287 -0.043 0.000 0.932 262 K CB 0.575 33.062 32.500 -0.020 0.000 1.021 262 K HN 0.419 nan 8.250 nan 0.000 0.462 263 Y N 1.831 122.063 120.300 -0.113 0.000 2.409 263 Y HA 0.244 4.835 4.550 0.068 0.000 0.339 263 Y C -1.724 174.018 175.900 -0.263 0.000 1.033 263 Y CA -2.158 55.785 58.100 -0.263 0.000 1.094 263 Y CB 1.056 39.359 38.460 -0.262 0.000 1.210 263 Y HN 0.485 nan 8.280 nan 0.000 0.456 264 P HA 0.081 nan 4.420 nan 0.000 0.275 264 P C -0.946 176.279 177.300 -0.125 0.000 1.227 264 P CA -0.359 62.645 63.100 -0.160 0.000 0.781 264 P CB 0.869 32.461 31.700 -0.180 0.000 0.906 265 E N 2.528 122.689 120.200 -0.064 0.000 1.999 265 E HA 0.167 4.556 4.350 0.066 0.000 0.296 265 E C 0.197 176.775 176.600 -0.035 0.000 1.187 265 E CA -0.042 56.329 56.400 -0.048 0.000 1.229 265 E CB -0.662 29.022 29.700 -0.027 0.000 1.131 265 E HN 0.450 nan 8.360 nan 0.000 0.478 266 I N -2.305 118.237 120.570 -0.047 0.000 2.730 266 I HA 0.534 4.744 4.170 0.066 0.000 0.298 266 I C -2.735 173.385 176.117 0.005 0.000 1.089 266 I CA -3.471 57.826 61.300 -0.004 0.000 1.041 266 I CB 1.783 39.797 38.000 0.024 0.000 1.235 266 I HN -0.139 nan 8.210 nan 0.000 0.423 267 P HA 0.217 nan 4.420 nan 0.000 0.267 267 P C 0.769 178.131 177.300 0.104 0.000 1.209 267 P CA 0.780 63.910 63.100 0.049 0.000 0.763 267 P CB 0.714 32.453 31.700 0.066 0.000 0.816 268 G N 2.615 111.454 108.800 0.065 0.000 2.175 268 G HA2 -0.266 3.734 3.960 0.066 0.000 0.244 268 G HA3 -0.266 3.734 3.960 0.066 0.000 0.244 268 G C 1.040 176.036 174.900 0.159 0.000 0.982 268 G CA 0.323 45.509 45.100 0.144 0.000 0.641 268 G HN 0.659 nan 8.290 nan 0.000 0.527 269 A N -0.235 122.630 122.820 0.075 0.000 1.854 269 A HA 0.386 4.746 4.320 0.066 0.000 0.214 269 A C 2.521 180.152 177.584 0.078 0.000 1.192 269 A CA 2.542 54.632 52.037 0.089 0.000 0.611 269 A CB -0.467 18.362 19.000 -0.286 0.000 0.832 269 A HN 1.038 nan 8.150 nan 0.000 0.442 270 V N 0.072 119.843 119.914 -0.239 0.000 2.453 270 V HA -0.183 3.977 4.120 0.066 0.000 0.247 270 V C 2.410 178.336 176.094 -0.281 0.000 1.048 270 V CA 2.246 64.241 62.300 -0.510 0.000 1.049 270 V CB -0.815 30.676 31.823 -0.554 0.000 0.672 270 V HN 0.568 nan 8.190 nan 0.000 0.457 271 E N -0.655 119.347 120.200 -0.330 0.000 2.076 271 E HA -0.103 4.287 4.350 0.066 0.000 0.190 271 E C 1.824 178.203 176.600 -0.369 0.000 0.979 271 E CA 1.479 57.576 56.400 -0.505 0.000 0.807 271 E CB -0.158 28.950 29.700 -0.987 0.000 0.761 271 E HN 0.770 nan 8.360 nan 0.000 0.454 272 Y N -0.966 119.404 120.300 0.115 0.000 2.535 272 Y HA 0.394 4.984 4.550 0.066 0.000 0.264 272 Y C 1.277 177.281 175.900 0.173 0.000 1.087 272 Y CA -0.039 58.135 58.100 0.123 0.000 1.285 272 Y CB -0.175 38.347 38.460 0.103 0.000 1.200 272 Y HN -0.068 nan 8.280 nan 0.000 0.514 273 G N 1.196 110.251 108.800 0.424 0.000 2.476 273 G HA2 0.554 4.553 3.960 0.066 0.000 0.286 273 G HA3 0.554 4.553 3.960 0.066 0.000 0.286 273 G C -0.326 174.826 174.900 0.421 0.000 1.177 273 G CA -0.425 44.931 45.100 0.427 0.000 0.870 273 G HN 0.211 nan 8.290 nan 0.000 0.528 274 I N -1.852 118.861 120.570 0.239 0.000 3.170 274 I HA 0.898 5.108 4.170 0.066 0.000 0.312 274 I C 0.316 176.497 176.117 0.106 0.000 1.085 274 I CA -1.026 60.399 61.300 0.208 0.000 0.999 274 I CB 2.346 40.410 38.000 0.106 0.000 1.233 274 I HN 0.627 nan 8.210 nan 0.000 0.467 275 T N -2.015 112.571 114.554 0.054 0.000 2.724 275 T HA 0.325 4.714 4.350 0.066 0.000 0.274 275 T C 0.914 175.563 174.700 -0.085 0.000 0.984 275 T CA 0.027 62.097 62.100 -0.049 0.000 1.024 275 T CB 0.927 69.743 68.868 -0.086 0.000 1.320 275 T HN 0.802 nan 8.240 nan 0.000 0.555 276 S N -0.213 115.424 115.700 -0.106 0.000 2.447 276 S HA -0.104 4.406 4.470 0.066 0.000 0.233 276 S C 1.179 175.720 174.600 -0.099 0.000 1.006 276 S CA 1.194 59.285 58.200 -0.182 0.000 0.957 276 S CB -0.885 62.292 63.200 -0.039 0.000 0.773 276 S HN 0.663 nan 8.310 nan 0.000 0.507 277 D N 2.096 122.510 120.400 0.022 0.000 2.178 277 D HA -0.042 4.638 4.640 0.066 0.000 0.201 277 D C 1.434 177.821 176.300 0.146 0.000 0.980 277 D CA 1.232 55.287 54.000 0.092 0.000 0.842 277 D CB -0.246 40.744 40.800 0.317 0.000 0.948 277 D HN 0.507 nan 8.370 nan 0.000 0.472 278 D N -0.528 119.934 120.400 0.102 0.000 2.277 278 D HA -0.023 4.657 4.640 0.066 0.000 0.209 278 D C 2.093 178.408 176.300 0.024 0.000 0.970 278 D CA -0.040 54.026 54.000 0.110 0.000 0.874 278 D CB 0.059 40.929 40.800 0.116 0.000 0.982 278 D HN 0.120 nan 8.370 nan 0.000 0.504 279 L N 0.434 121.592 121.223 -0.109 0.000 2.046 279 L HA -0.106 4.274 4.340 0.066 0.000 0.208 279 L C 1.713 178.576 176.870 -0.012 0.000 1.077 279 L CA 1.521 56.272 54.840 -0.147 0.000 0.747 279 L CB -0.586 41.259 42.059 -0.357 0.000 0.896 279 L HN -0.165 nan 8.230 nan 0.000 0.432 280 F N -0.756 119.261 119.950 0.112 0.000 2.604 280 F HA 0.017 4.584 4.527 0.067 0.000 0.298 280 F C 2.165 177.954 175.800 -0.019 0.000 1.131 280 F CA 0.780 58.792 58.000 0.019 0.000 1.457 280 F CB -0.770 38.188 39.000 -0.070 0.000 1.095 280 F HN 0.342 nan 8.300 nan 0.000 0.574 281 S N -1.125 114.681 115.700 0.177 0.000 2.846 281 S HA 0.269 4.779 4.470 0.066 0.000 0.249 281 S C 0.005 174.684 174.600 0.132 0.000 1.028 281 S CA -0.452 57.825 58.200 0.128 0.000 1.043 281 S CB -0.558 62.730 63.200 0.147 0.000 0.990 281 S HN 0.029 nan 8.310 nan 0.000 0.564 282 L N 4.292 125.617 121.223 0.169 0.000 2.534 282 L HA 0.309 4.689 4.340 0.066 0.000 0.271 282 L C -1.376 175.595 176.870 0.168 0.000 1.178 282 L CA -1.310 53.568 54.840 0.063 0.000 0.907 282 L CB 0.493 42.514 42.059 -0.064 0.000 1.164 282 L HN 0.036 nan 8.230 nan 0.000 0.482 283 P HA -0.108 nan 4.420 nan 0.000 0.230 283 P C -0.879 176.599 177.300 0.295 0.000 1.158 283 P CA 1.011 64.234 63.100 0.204 0.000 0.769 283 P CB -0.164 31.665 31.700 0.215 0.000 0.807 284 Y N -1.352 119.058 120.300 0.185 0.000 2.570 284 Y HA 0.607 5.198 4.550 0.068 0.000 0.345 284 Y C 0.031 175.774 175.900 -0.262 0.000 1.014 284 Y CA -2.805 55.285 58.100 -0.016 0.000 1.063 284 Y CB 0.175 38.484 38.460 -0.251 0.000 1.272 284 Y HN -0.267 nan 8.280 nan 0.000 0.477 285 F N 0.122 119.976 119.950 -0.160 0.000 2.504 285 F HA 0.473 5.039 4.527 0.066 0.000 0.369 285 F C -2.250 173.309 175.800 -0.402 0.000 1.082 285 F CA -2.846 54.754 58.000 -0.667 0.000 1.216 285 F CB 0.269 39.154 39.000 -0.192 0.000 1.108 285 F HN 0.280 nan 8.300 nan 0.000 0.554 286 P HA -0.025 nan 4.420 nan 0.000 0.217 286 P C 1.233 178.494 177.300 -0.064 0.000 1.148 286 P CA 2.233 65.162 63.100 -0.285 0.000 0.828 286 P CB -0.092 31.378 31.700 -0.384 0.000 0.783 287 G N -0.694 108.153 108.800 0.078 0.000 2.527 287 G HA2 -0.327 3.673 3.960 0.066 0.000 0.268 287 G HA3 -0.327 3.673 3.960 0.066 0.000 0.268 287 G C -0.227 174.730 174.900 0.095 0.000 1.175 287 G CA -0.069 45.150 45.100 0.199 0.000 0.962 287 G HN 0.450 nan 8.290 nan 0.000 0.560 288 K N 1.763 122.226 120.400 0.106 0.000 2.382 288 K HA 0.449 4.809 4.320 0.066 0.000 0.286 288 K C -0.466 176.249 176.600 0.191 0.000 1.062 288 K CA 0.745 57.112 56.287 0.134 0.000 1.000 288 K CB -0.286 32.279 32.500 0.109 0.000 0.954 288 K HN 0.527 nan 8.250 nan 0.000 0.470 289 T N 4.743 119.371 114.554 0.124 0.000 2.829 289 T HA 0.318 4.708 4.350 0.066 0.000 0.280 289 T C -1.025 173.528 174.700 -0.245 0.000 0.999 289 T CA -0.767 61.309 62.100 -0.040 0.000 0.983 289 T CB 1.297 70.087 68.868 -0.131 0.000 0.968 289 T HN 0.430 nan 8.240 nan 0.000 0.446 290 L N 3.998 124.867 121.223 -0.589 0.000 2.287 290 L HA 0.667 5.047 4.340 0.066 0.000 0.287 290 L C -1.011 175.516 176.870 -0.570 0.000 1.022 290 L CA -0.516 53.789 54.840 -0.891 0.000 0.814 290 L CB 1.189 42.282 42.059 -1.610 0.000 1.217 290 L HN 0.474 nan 8.230 nan 0.000 0.420 291 V N 7.081 126.723 119.914 -0.453 0.000 2.328 291 V HA 0.389 4.549 4.120 0.066 0.000 0.278 291 V C 0.216 176.121 176.094 -0.314 0.000 1.021 291 V CA -0.374 61.709 62.300 -0.361 0.000 0.838 291 V CB 1.099 32.749 31.823 -0.288 0.000 0.999 291 V HN 0.584 nan 8.190 nan 0.000 0.447 292 I N 5.131 125.517 120.570 -0.305 0.000 2.301 292 I HA 0.746 4.956 4.170 0.066 0.000 0.292 292 I C 0.814 176.883 176.117 -0.080 0.000 1.046 292 I CA 0.379 61.569 61.300 -0.184 0.000 1.282 292 I CB 1.007 38.940 38.000 -0.111 0.000 1.409 292 I HN 0.845 nan 8.210 nan 0.000 0.484 293 G N 4.248 113.008 108.800 -0.067 0.000 2.339 293 G HA2 0.327 4.327 3.960 0.066 0.000 0.381 293 G HA3 0.327 4.327 3.960 0.066 0.000 0.381 293 G C -0.706 174.189 174.900 -0.008 0.000 1.400 293 G CA -0.145 44.937 45.100 -0.029 0.000 1.002 293 G HN 0.697 nan 8.290 nan 0.000 0.633 294 A N -0.417 122.415 122.820 0.021 0.000 2.624 294 A HA 0.722 5.082 4.320 0.066 0.000 0.287 294 A C 1.204 178.831 177.584 0.072 0.000 1.087 294 A CA 1.291 53.362 52.037 0.056 0.000 0.964 294 A CB -0.391 18.646 19.000 0.062 0.000 1.231 294 A HN 2.282 nan 8.150 nan 0.000 0.551 295 S N -0.598 115.134 115.700 0.053 0.000 2.626 295 S HA 0.264 4.773 4.470 0.066 0.000 0.257 295 S C 1.115 175.758 174.600 0.072 0.000 1.288 295 S CA 0.324 58.576 58.200 0.087 0.000 0.980 295 S CB -0.135 63.074 63.200 0.016 0.000 0.975 295 S HN 0.941 nan 8.310 nan 0.000 0.577 296 Y N -0.547 119.797 120.300 0.072 0.000 2.293 296 Y HA 0.039 4.629 4.550 0.066 0.000 0.291 296 Y C 1.766 177.707 175.900 0.070 0.000 1.137 296 Y CA 0.970 59.082 58.100 0.020 0.000 1.202 296 Y CB -1.226 37.234 38.460 -0.001 0.000 0.990 296 Y HN 0.273 nan 8.280 nan 0.000 0.537 297 V N 1.478 121.044 119.914 -0.581 0.000 2.343 297 V HA -0.289 3.871 4.120 0.066 0.000 0.247 297 V C 2.901 178.915 176.094 -0.133 0.000 1.051 297 V CA 1.845 63.933 62.300 -0.353 0.000 1.036 297 V CB -1.513 30.076 31.823 -0.390 0.000 0.654 297 V HN 0.635 nan 8.190 nan 0.000 0.451 298 A N -0.109 122.640 122.820 -0.119 0.000 1.877 298 A HA -0.132 4.228 4.320 0.066 0.000 0.216 298 A C 2.212 179.754 177.584 -0.069 0.000 1.186 298 A CA 1.821 53.802 52.037 -0.093 0.000 0.620 298 A CB -0.509 18.453 19.000 -0.063 0.000 0.822 298 A HN 0.509 nan 8.150 nan 0.000 0.443 299 L N -1.164 120.058 121.223 -0.002 0.000 2.179 299 L HA -0.105 4.275 4.340 0.066 0.000 0.208 299 L C 2.526 179.420 176.870 0.040 0.000 1.096 299 L CA 1.126 55.993 54.840 0.045 0.000 0.779 299 L CB -0.490 41.631 42.059 0.103 0.000 0.922 299 L HN 0.449 nan 8.230 nan 0.000 0.443 300 E N -0.441 119.800 120.200 0.069 0.000 2.047 300 E HA -0.203 4.186 4.350 0.066 0.000 0.191 300 E C 2.349 178.941 176.600 -0.013 0.000 0.987 300 E CA 1.574 58.059 56.400 0.141 0.000 0.799 300 E CB -0.115 29.744 29.700 0.266 0.000 0.752 300 E HN 0.495 nan 8.360 nan 0.000 0.449 301 C N 0.589 119.794 119.300 -0.158 0.000 2.429 301 C HA -0.075 4.425 4.460 0.066 0.000 0.277 301 C C 2.854 177.371 174.990 -0.789 0.000 1.262 301 C CA 0.865 59.521 59.018 -0.604 0.000 1.733 301 C CB -0.877 26.682 27.740 -0.301 0.000 2.010 301 C HN 0.507 nan 8.230 nan 0.000 0.483 302 A N 0.567 123.149 122.820 -0.397 0.000 2.015 302 A HA 0.143 4.503 4.320 0.066 0.000 0.219 302 A C 2.310 179.752 177.584 -0.236 0.000 1.163 302 A CA 1.836 53.686 52.037 -0.311 0.000 0.646 302 A CB -0.953 17.904 19.000 -0.239 0.000 0.806 302 A HN 0.559 nan 8.150 nan 0.000 0.448 303 G N 0.172 108.874 108.800 -0.163 0.000 2.414 303 G HA2 -0.161 3.839 3.960 0.066 0.000 0.215 303 G HA3 -0.161 3.839 3.960 0.066 0.000 0.215 303 G C 1.412 176.350 174.900 0.063 0.000 1.188 303 G CA 1.178 46.291 45.100 0.022 0.000 0.783 303 G HN 0.802 nan 8.290 nan 0.000 0.537 304 F N 0.040 120.075 119.950 0.141 0.000 2.456 304 F HA 0.343 4.909 4.527 0.064 0.000 0.298 304 F C 2.141 177.994 175.800 0.088 0.000 1.104 304 F CA 0.130 58.201 58.000 0.118 0.000 1.435 304 F CB -0.284 38.812 39.000 0.161 0.000 1.078 304 F HN 0.010 nan 8.300 nan 0.000 0.546 305 L N 0.952 122.115 121.223 -0.099 0.000 2.093 305 L HA -0.071 4.309 4.340 0.066 0.000 0.208 305 L C 2.940 179.832 176.870 0.036 0.000 1.085 305 L CA 1.070 55.925 54.840 0.025 0.000 0.755 305 L CB -0.813 41.147 42.059 -0.165 0.000 0.904 305 L HN 0.362 nan 8.230 nan 0.000 0.435 306 A N -1.076 121.742 122.820 -0.003 0.000 1.968 306 A HA -0.128 4.231 4.320 0.066 0.000 0.217 306 A C 2.438 180.057 177.584 0.057 0.000 1.169 306 A CA 1.687 53.739 52.037 0.025 0.000 0.638 306 A CB -0.363 18.648 19.000 0.017 0.000 0.812 306 A HN 0.351 nan 8.150 nan 0.000 0.446 307 S N -0.216 115.517 115.700 0.055 0.000 2.428 307 S HA 0.070 4.579 4.470 0.066 0.000 0.230 307 S C 1.254 175.836 174.600 -0.029 0.000 1.014 307 S CA 0.664 58.858 58.200 -0.010 0.000 0.957 307 S CB -0.244 62.900 63.200 -0.093 0.000 0.784 307 S HN 0.506 nan 8.310 nan 0.000 0.499 308 L N 1.175 122.402 121.223 0.008 0.000 2.645 308 L HA 0.259 4.639 4.340 0.066 0.000 0.234 308 L C 1.350 178.261 176.870 0.068 0.000 1.165 308 L CA 0.090 54.903 54.840 -0.044 0.000 0.944 308 L CB -0.581 41.453 42.059 -0.041 0.000 1.149 308 L HN 0.444 nan 8.230 nan 0.000 0.446 309 G N 0.078 108.915 108.800 0.061 0.000 2.149 309 G HA2 -0.198 3.802 3.960 0.066 0.000 0.235 309 G HA3 -0.198 3.802 3.960 0.066 0.000 0.235 309 G C 0.367 175.302 174.900 0.059 0.000 1.018 309 G CA -0.163 44.975 45.100 0.064 0.000 0.728 309 G HN 0.528 nan 8.290 nan 0.000 0.508 310 G N -0.581 108.254 108.800 0.059 0.000 2.367 310 G HA2 0.500 4.500 3.960 0.066 0.000 0.314 310 G HA3 0.500 4.500 3.960 0.066 0.000 0.314 310 G C -0.521 174.398 174.900 0.031 0.000 1.130 310 G CA -0.115 45.013 45.100 0.046 0.000 0.864 310 G HN 0.179 nan 8.290 nan 0.000 0.486 311 D N 1.657 122.081 120.400 0.041 0.000 2.359 311 D HA 0.225 4.905 4.640 0.066 0.000 0.250 311 D C -0.116 176.214 176.300 0.049 0.000 1.264 311 D CA 0.100 54.128 54.000 0.046 0.000 0.911 311 D CB 0.905 41.739 40.800 0.058 0.000 1.056 311 D HN -0.031 nan 8.370 nan 0.000 0.499 312 V N 3.395 123.311 119.914 0.003 0.000 2.555 312 V HA 0.482 4.642 4.120 0.066 0.000 0.302 312 V C 0.383 176.423 176.094 -0.089 0.000 1.038 312 V CA -0.636 61.627 62.300 -0.062 0.000 0.887 312 V CB 2.128 33.876 31.823 -0.125 0.000 0.991 312 V HN 0.453 nan 8.190 nan 0.000 0.434 313 T N 3.385 117.862 114.554 -0.128 0.000 2.881 313 T HA 0.581 4.971 4.350 0.066 0.000 0.290 313 T C -0.646 173.869 174.700 -0.308 0.000 1.000 313 T CA -0.487 61.517 62.100 -0.159 0.000 0.978 313 T CB 1.866 70.785 68.868 0.085 0.000 0.997 313 T HN 0.337 nan 8.240 nan 0.000 0.443 314 V N 3.922 123.610 119.914 -0.377 0.000 2.357 314 V HA 0.428 4.587 4.120 0.066 0.000 0.284 314 V C 0.022 176.023 176.094 -0.154 0.000 1.018 314 V CA -0.777 61.334 62.300 -0.314 0.000 0.841 314 V CB 1.432 33.020 31.823 -0.391 0.000 0.991 314 V HN 0.905 nan 8.190 nan 0.000 0.437 315 M N 6.182 125.662 119.600 -0.200 0.000 2.105 315 M HA 0.466 4.986 4.480 0.066 0.000 0.350 315 M C -1.178 175.062 176.300 -0.099 0.000 1.308 315 M CA -0.165 55.012 55.300 -0.205 0.000 1.108 315 M CB 0.780 33.159 32.600 -0.369 0.000 1.622 315 M HN 0.483 nan 8.290 nan 0.000 0.468 316 V N 6.359 126.258 119.914 -0.025 0.000 2.417 316 V HA 0.340 4.500 4.120 0.066 0.000 0.291 316 V C 0.806 176.885 176.094 -0.025 0.000 1.024 316 V CA -0.623 61.685 62.300 0.012 0.000 0.861 316 V CB 1.418 33.292 31.823 0.085 0.000 0.985 316 V HN 0.962 nan 8.190 nan 0.000 0.436 317 R N 2.886 123.367 120.500 -0.032 0.000 2.057 317 R HA -0.073 4.307 4.340 0.066 0.000 0.229 317 R C 1.696 177.990 176.300 -0.010 0.000 1.136 317 R CA 2.057 58.133 56.100 -0.040 0.000 0.952 317 R CB 0.208 30.488 30.300 -0.034 0.000 0.848 317 R HN 0.886 nan 8.270 nan 0.000 0.430 318 S N -0.706 114.997 115.700 0.005 0.000 4.207 318 S HA 0.235 4.745 4.470 0.066 0.000 0.177 318 S C 0.607 175.213 174.600 0.011 0.000 0.981 318 S CA -0.283 57.924 58.200 0.011 0.000 1.097 318 S CB -0.154 63.053 63.200 0.013 0.000 1.525 318 S HN 0.318 nan 8.310 nan 0.000 0.686 319 I N -0.174 120.406 120.570 0.015 0.000 2.892 319 I HA 0.750 4.960 4.170 0.066 0.000 0.306 319 I C -1.372 174.760 176.117 0.025 0.000 1.078 319 I CA -1.424 59.883 61.300 0.012 0.000 1.032 319 I CB 1.365 39.374 38.000 0.015 0.000 1.229 319 I HN 0.201 nan 8.210 nan 0.000 0.435 320 L N 4.362 125.592 121.223 0.011 0.000 2.375 320 L HA 0.441 4.820 4.340 0.066 0.000 0.271 320 L C 0.127 177.040 176.870 0.072 0.000 1.107 320 L CA -0.156 54.702 54.840 0.029 0.000 0.806 320 L CB 0.858 42.905 42.059 -0.020 0.000 1.146 320 L HN 0.613 nan 8.230 nan 0.000 0.447 321 L N 2.724 124.016 121.223 0.115 0.000 3.826 321 L HA -0.255 4.125 4.340 0.066 0.000 0.566 321 L C 0.588 177.667 176.870 0.348 0.000 1.217 321 L CA 0.249 55.231 54.840 0.237 0.000 0.823 321 L CB -1.181 40.919 42.059 0.067 0.000 1.381 321 L HN 0.621 nan 8.230 nan 0.000 0.825 322 R N 1.165 121.818 120.500 0.254 0.000 2.449 322 R HA 0.335 4.715 4.340 0.066 0.000 0.296 322 R C 1.370 177.775 176.300 0.176 0.000 1.047 322 R CA 1.159 57.366 56.100 0.178 0.000 1.018 322 R CB 0.469 30.835 30.300 0.111 0.000 0.962 322 R HN 0.596 nan 8.270 nan 0.000 0.428 323 G N 3.697 112.557 108.800 0.100 0.000 2.313 323 G HA2 -0.264 3.736 3.960 0.066 0.000 0.215 323 G HA3 -0.264 3.736 3.960 0.066 0.000 0.215 323 G C -0.081 174.766 174.900 -0.087 0.000 1.023 323 G CA -0.306 44.773 45.100 -0.035 0.000 0.626 323 G HN 0.507 nan 8.290 nan 0.000 0.503 324 F N 2.016 122.031 119.950 0.108 0.000 2.375 324 F HA 0.477 5.044 4.527 0.067 0.000 0.313 324 F C 0.971 176.835 175.800 0.107 0.000 1.176 324 F CA -0.162 57.934 58.000 0.160 0.000 1.142 324 F CB 0.412 39.546 39.000 0.224 0.000 1.275 324 F HN -0.006 nan 8.300 nan 0.000 0.544 325 D N 1.450 122.056 120.400 0.343 0.000 2.412 325 D HA -0.064 4.615 4.640 0.066 0.000 0.257 325 D C 0.592 176.901 176.300 0.015 0.000 1.217 325 D CA 0.063 54.118 54.000 0.090 0.000 0.897 325 D CB 0.956 41.699 40.800 -0.095 0.000 1.132 325 D HN 0.448 nan 8.370 nan 0.000 0.493 326 Q N 2.647 122.444 119.800 -0.004 0.000 2.297 326 Q HA -0.148 4.231 4.340 0.066 0.000 0.204 326 Q C 1.564 177.513 176.000 -0.084 0.000 0.962 326 Q CA 0.681 56.467 55.803 -0.027 0.000 0.879 326 Q CB 0.066 28.797 28.738 -0.012 0.000 0.947 326 Q HN 0.698 nan 8.270 nan 0.000 0.462 327 Q N -0.392 119.342 119.800 -0.109 0.000 2.083 327 Q HA -0.077 4.303 4.340 0.066 0.000 0.198 327 Q C 1.723 177.602 176.000 -0.201 0.000 0.969 327 Q CA 0.771 56.487 55.803 -0.146 0.000 0.838 327 Q CB 0.236 28.893 28.738 -0.135 0.000 0.900 327 Q HN 0.241 nan 8.270 nan 0.000 0.436 328 M N -0.191 119.266 119.600 -0.238 0.000 2.254 328 M HA -0.029 4.491 4.480 0.066 0.000 0.265 328 M C 2.209 178.248 176.300 -0.434 0.000 1.066 328 M CA 1.220 56.281 55.300 -0.398 0.000 1.123 328 M CB -1.133 31.063 32.600 -0.673 0.000 1.388 328 M HN 0.263 nan 8.290 nan 0.000 0.425 329 A N -0.058 122.586 122.820 -0.294 0.000 1.930 329 A HA -0.176 4.183 4.320 0.066 0.000 0.217 329 A C 2.182 179.674 177.584 -0.155 0.000 1.175 329 A CA 1.776 53.696 52.037 -0.195 0.000 0.627 329 A CB -0.669 18.289 19.000 -0.071 0.000 0.815 329 A HN 0.573 nan 8.150 nan 0.000 0.443 330 E N -0.016 120.094 120.200 -0.150 0.000 2.072 330 E HA -0.174 4.216 4.350 0.066 0.000 0.191 330 E C 1.875 178.398 176.600 -0.129 0.000 0.985 330 E CA 1.196 57.512 56.400 -0.139 0.000 0.801 330 E CB -0.080 29.543 29.700 -0.129 0.000 0.750 330 E HN 0.605 nan 8.360 nan 0.000 0.452 331 K N 0.004 120.317 120.400 -0.145 0.000 2.148 331 K HA -0.090 4.269 4.320 0.066 0.000 0.204 331 K C 2.090 178.673 176.600 -0.029 0.000 1.050 331 K CA 0.997 57.223 56.287 -0.102 0.000 0.942 331 K CB 0.110 32.518 32.500 -0.153 0.000 0.724 331 K HN 0.041 nan 8.250 nan 0.000 0.446 332 V N 0.678 120.547 119.914 -0.075 0.000 2.307 332 V HA -0.179 3.981 4.120 0.066 0.000 0.245 332 V C 2.331 178.473 176.094 0.080 0.000 1.045 332 V CA 2.265 64.564 62.300 -0.001 0.000 1.024 332 V CB -0.763 31.025 31.823 -0.059 0.000 0.651 332 V HN 0.493 nan 8.190 nan 0.000 0.449 333 G N -0.791 108.000 108.800 -0.016 0.000 2.422 333 G HA2 -0.204 3.795 3.960 0.066 0.000 0.218 333 G HA3 -0.204 3.795 3.960 0.066 0.000 0.218 333 G C 1.235 176.093 174.900 -0.070 0.000 1.140 333 G CA 0.805 45.848 45.100 -0.095 0.000 0.775 333 G HN 0.480 nan 8.290 nan 0.000 0.545 334 D N -0.547 119.838 120.400 -0.026 0.000 2.144 334 D HA -0.108 4.572 4.640 0.066 0.000 0.200 334 D C 1.862 178.249 176.300 0.144 0.000 0.978 334 D CA 0.631 54.643 54.000 0.019 0.000 0.833 334 D CB -0.259 40.543 40.800 0.003 0.000 0.961 334 D HN 0.400 nan 8.370 nan 0.000 0.470 335 Y N 0.794 121.159 120.300 0.107 0.000 2.200 335 Y HA -0.139 4.456 4.550 0.075 0.000 0.290 335 Y C 2.375 178.467 175.900 0.320 0.000 1.137 335 Y CA 1.378 59.613 58.100 0.225 0.000 1.163 335 Y CB -0.108 38.456 38.460 0.175 0.000 0.988 335 Y HN -0.136 nan 8.280 nan 0.000 0.518 336 M N -0.222 119.620 119.600 0.404 0.000 2.117 336 M HA -0.229 4.291 4.480 0.066 0.000 0.262 336 M C 2.247 178.751 176.300 0.340 0.000 1.065 336 M CA 2.072 57.601 55.300 0.383 0.000 1.114 336 M CB -0.366 32.512 32.600 0.464 0.000 1.361 336 M HN 0.298 nan 8.290 nan 0.000 0.408 337 E N 0.409 120.833 120.200 0.375 0.000 2.150 337 E HA -0.177 4.213 4.350 0.066 0.000 0.193 337 E C 1.305 177.970 176.600 0.107 0.000 0.985 337 E CA 0.913 57.504 56.400 0.319 0.000 0.814 337 E CB 0.132 29.969 29.700 0.229 0.000 0.752 337 E HN 0.450 nan 8.360 nan 0.000 0.466 338 N N -0.218 118.491 118.700 0.015 0.000 2.467 338 N HA -0.052 4.728 4.740 0.066 0.000 0.184 338 N C -0.093 175.154 175.510 -0.438 0.000 1.106 338 N CA 0.685 53.620 53.050 -0.192 0.000 0.892 338 N CB 0.180 38.524 38.487 -0.237 0.000 0.969 338 N HN 0.259 nan 8.380 nan 0.000 0.454 339 H N -1.486 117.508 119.070 -0.126 0.000 2.587 339 H HA 0.388 4.988 4.556 0.074 0.000 0.245 339 H C 0.964 176.289 175.328 -0.005 0.000 1.238 339 H CA 0.223 56.200 56.048 -0.118 0.000 0.963 339 H CB 0.388 30.011 29.762 -0.231 0.000 1.904 339 H HN 0.141 nan 8.280 nan 0.000 0.584 340 G N 0.013 108.848 108.800 0.059 0.000 2.176 340 G HA2 -0.269 3.731 3.960 0.066 0.000 0.232 340 G HA3 -0.269 3.731 3.960 0.066 0.000 0.232 340 G C -0.088 174.829 174.900 0.029 0.000 0.986 340 G CA 0.120 45.250 45.100 0.050 0.000 0.643 340 G HN 0.248 nan 8.290 nan 0.000 0.522 341 V N 1.963 121.898 119.914 0.036 0.000 2.364 341 V HA 0.421 4.580 4.120 0.066 0.000 0.272 341 V C 0.664 176.661 176.094 -0.162 0.000 1.036 341 V CA -0.525 61.714 62.300 -0.102 0.000 0.880 341 V CB 1.309 33.056 31.823 -0.125 0.000 0.991 341 V HN 0.303 nan 8.190 nan 0.000 0.460 342 K N 4.157 124.432 120.400 -0.208 0.000 2.144 342 K HA 0.601 4.961 4.320 0.066 0.000 0.270 342 K C -1.173 175.227 176.600 -0.332 0.000 1.005 342 K CA -0.183 56.043 56.287 -0.101 0.000 0.932 342 K CB 1.051 33.557 32.500 0.010 0.000 1.021 342 K HN 0.459 nan 8.250 nan 0.000 0.462 343 F N 0.609 120.599 119.950 0.067 0.000 2.507 343 F HA 0.302 4.868 4.527 0.064 0.000 0.328 343 F C 0.005 175.867 175.800 0.103 0.000 1.136 343 F CA -0.892 57.143 58.000 0.057 0.000 0.930 343 F CB 1.820 40.844 39.000 0.039 0.000 1.166 343 F HN 0.483 nan 8.300 nan 0.000 0.436 344 A N 4.951 127.909 122.820 0.231 0.000 2.807 344 A HA 0.384 4.744 4.320 0.066 0.000 0.307 344 A C 0.038 177.751 177.584 0.216 0.000 1.532 344 A CA -0.604 51.587 52.037 0.257 0.000 1.215 344 A CB -0.470 18.576 19.000 0.077 0.000 1.127 344 A HN 0.721 nan 8.150 nan 0.000 0.543 345 K N 1.264 121.834 120.400 0.283 0.000 2.270 345 K HA 0.442 4.801 4.320 0.066 0.000 0.276 345 K C 0.001 176.732 176.600 0.218 0.000 1.023 345 K CA -0.512 55.891 56.287 0.193 0.000 0.955 345 K CB 0.676 33.258 32.500 0.137 0.000 0.975 345 K HN 0.602 nan 8.250 nan 0.000 0.471 346 L N 0.529 121.821 121.223 0.115 0.000 3.678 346 L HA -0.265 4.114 4.340 0.066 0.000 0.425 346 L C -0.370 176.532 176.870 0.054 0.000 1.240 346 L CA -0.115 54.781 54.840 0.094 0.000 0.876 346 L CB -1.622 40.512 42.059 0.125 0.000 1.766 346 L HN 0.732 nan 8.230 nan 0.000 0.917 347 C N 0.416 119.657 119.300 -0.098 0.000 2.634 347 C HA 0.913 5.413 4.460 0.066 0.000 0.313 347 C C 0.172 174.942 174.990 -0.365 0.000 1.198 347 C CA 0.080 58.874 59.018 -0.374 0.000 1.605 347 C CB 1.551 28.876 27.740 -0.690 0.000 2.196 347 C HN 0.272 nan 8.230 nan 0.000 0.486 348 V N 3.331 122.966 119.914 -0.466 0.000 2.789 348 V HA 0.799 4.959 4.120 0.066 0.000 0.311 348 V C -2.751 173.146 176.094 -0.329 0.000 1.073 348 V CA -1.849 60.235 62.300 -0.360 0.000 0.921 348 V CB 1.739 33.375 31.823 -0.312 0.000 1.009 348 V HN 0.818 nan 8.190 nan 0.000 0.426 349 P HA 0.464 nan 4.420 nan 0.000 0.282 349 P C -0.773 176.543 177.300 0.027 0.000 1.249 349 P CA 0.027 63.088 63.100 -0.066 0.000 0.806 349 P CB 1.755 33.469 31.700 0.024 0.000 0.984 350 D N 0.329 120.785 120.400 0.094 0.000 2.597 350 D HA 0.057 4.737 4.640 0.066 0.000 0.261 350 D C 0.387 176.757 176.300 0.116 0.000 1.023 350 D CA 0.949 55.025 54.000 0.126 0.000 0.927 350 D CB 0.854 41.755 40.800 0.168 0.000 1.168 350 D HN 0.647 nan 8.370 nan 0.000 0.491 351 E N 0.196 120.479 120.200 0.139 0.000 2.388 351 E HA 0.406 4.796 4.350 0.066 0.000 0.280 351 E C -1.333 175.380 176.600 0.189 0.000 1.019 351 E CA -0.753 55.736 56.400 0.149 0.000 0.806 351 E CB 1.775 31.550 29.700 0.124 0.000 1.246 351 E HN -0.243 nan 8.360 nan 0.000 0.443 352 I N 1.621 122.329 120.570 0.230 0.000 2.389 352 I HA 0.425 4.635 4.170 0.066 0.000 0.288 352 I C -0.383 175.884 176.117 0.250 0.000 0.999 352 I CA -0.649 60.809 61.300 0.263 0.000 1.129 352 I CB 1.146 39.368 38.000 0.371 0.000 1.288 352 I HN 0.626 nan 8.210 nan 0.000 0.444 353 K N 5.571 126.026 120.400 0.090 0.000 2.324 353 K HA 0.358 4.718 4.320 0.066 0.000 0.253 353 K C -0.595 175.831 176.600 -0.290 0.000 0.932 353 K CA -0.591 55.659 56.287 -0.061 0.000 0.799 353 K CB 2.315 34.813 32.500 -0.004 0.000 1.154 353 K HN 0.637 nan 8.250 nan 0.000 0.425 354 Q N 3.882 123.290 119.800 -0.654 0.000 2.314 354 Q HA 0.139 4.519 4.340 0.066 0.000 0.258 354 Q C 0.026 175.855 176.000 -0.285 0.000 0.954 354 Q CA 0.045 55.467 55.803 -0.635 0.000 0.890 354 Q CB 0.836 29.016 28.738 -0.929 0.000 1.210 354 Q HN 0.749 nan 8.270 nan 0.000 0.410 355 L N 2.310 123.414 121.223 -0.198 0.000 2.653 355 L HA 0.331 4.711 4.340 0.066 0.000 0.230 355 L C 0.088 176.894 176.870 -0.107 0.000 1.055 355 L CA 0.310 55.075 54.840 -0.124 0.000 0.880 355 L CB 0.449 42.450 42.059 -0.095 0.000 1.195 355 L HN 0.448 nan 8.230 nan 0.000 0.492 356 K N 0.178 120.508 120.400 -0.117 0.000 2.464 356 K HA 0.504 4.864 4.320 0.066 0.000 0.253 356 K C -1.175 175.363 176.600 -0.104 0.000 0.933 356 K CA -0.633 55.595 56.287 -0.100 0.000 0.801 356 K CB 3.480 35.923 32.500 -0.095 0.000 1.271 356 K HN -0.294 nan 8.250 nan 0.000 0.430 357 V N 2.344 122.210 119.914 -0.080 0.000 2.649 357 V HA 0.099 4.259 4.120 0.066 0.000 0.292 357 V C 0.381 176.410 176.094 -0.110 0.000 1.055 357 V CA -0.896 61.366 62.300 -0.062 0.000 1.023 357 V CB 1.446 33.253 31.823 -0.027 0.000 0.992 357 V HN 0.482 nan 8.190 nan 0.000 0.480 358 V N 3.714 123.546 119.914 -0.137 0.000 2.539 358 V HA -0.051 4.109 4.120 0.066 0.000 0.300 358 V C 0.779 176.757 176.094 -0.194 0.000 1.019 358 V CA 0.329 62.468 62.300 -0.267 0.000 1.160 358 V CB 0.221 31.863 31.823 -0.301 0.000 0.901 358 V HN 0.899 nan 8.190 nan 0.000 0.481 359 D N 4.506 124.772 120.400 -0.224 0.000 2.342 359 D HA 0.044 4.723 4.640 0.066 0.000 0.260 359 D C 1.203 177.453 176.300 -0.084 0.000 1.278 359 D CA 0.190 54.115 54.000 -0.126 0.000 0.910 359 D CB 1.341 42.074 40.800 -0.112 0.000 1.079 359 D HN 0.689 nan 8.370 nan 0.000 0.496 360 T N 3.010 117.545 114.554 -0.032 0.000 2.942 360 T HA -0.133 4.257 4.350 0.066 0.000 0.265 360 T C 1.623 176.343 174.700 0.034 0.000 1.062 360 T CA 0.860 62.969 62.100 0.015 0.000 1.139 360 T CB 0.168 69.051 68.868 0.024 0.000 0.883 360 T HN 0.610 nan 8.240 nan 0.000 0.468 361 E N 1.303 121.516 120.200 0.023 0.000 2.102 361 E HA 0.043 4.432 4.350 0.066 0.000 0.190 361 E C 1.610 178.235 176.600 0.042 0.000 0.971 361 E CA 0.455 56.875 56.400 0.033 0.000 0.821 361 E CB -0.207 29.508 29.700 0.025 0.000 0.777 361 E HN 0.174 nan 8.360 nan 0.000 0.460 362 N N 1.093 119.813 118.700 0.033 0.000 2.467 362 N HA -0.013 4.767 4.740 0.066 0.000 0.184 362 N C -0.383 175.172 175.510 0.075 0.000 1.106 362 N CA 0.223 53.303 53.050 0.049 0.000 0.892 362 N CB -0.170 38.339 38.487 0.037 0.000 0.969 362 N HN 0.138 nan 8.380 nan 0.000 0.454 363 N N 0.831 119.570 118.700 0.065 0.000 2.696 363 N HA -0.197 4.583 4.740 0.066 0.000 0.256 363 N C -0.902 174.633 175.510 0.040 0.000 1.031 363 N CA 0.967 54.080 53.050 0.105 0.000 0.730 363 N CB -0.896 37.698 38.487 0.179 0.000 0.894 363 N HN 0.414 nan 8.380 nan 0.000 0.544 364 K N 0.347 120.667 120.400 -0.135 0.000 2.318 364 K HA 0.485 4.845 4.320 0.066 0.000 0.249 364 K C -2.317 173.909 176.600 -0.624 0.000 0.942 364 K CA -1.681 54.392 56.287 -0.356 0.000 0.808 364 K CB 2.384 34.784 32.500 -0.167 0.000 1.189 364 K HN -0.068 nan 8.250 nan 0.000 0.428 365 P HA 0.008 nan 4.420 nan 0.000 0.272 365 P C -0.096 176.924 177.300 -0.468 0.000 1.230 365 P CA -0.115 62.498 63.100 -0.812 0.000 0.788 365 P CB 0.760 32.199 31.700 -0.435 0.000 0.949 366 G N 0.883 109.450 108.800 -0.388 0.000 2.580 366 G HA2 0.427 4.427 3.960 0.066 0.000 0.225 366 G HA3 0.427 4.427 3.960 0.066 0.000 0.225 366 G C -1.077 173.738 174.900 -0.141 0.000 1.521 366 G CA -0.162 44.808 45.100 -0.216 0.000 1.068 366 G HN 0.529 nan 8.290 nan 0.000 0.564 367 L N -0.984 120.176 121.223 -0.105 0.000 2.526 367 L HA 0.639 5.018 4.340 0.066 0.000 0.263 367 L C -1.260 175.565 176.870 -0.076 0.000 0.943 367 L CA -0.381 54.415 54.840 -0.074 0.000 0.859 367 L CB 1.896 43.910 42.059 -0.076 0.000 1.313 367 L HN 0.411 nan 8.230 nan 0.000 0.406 368 L N 4.544 125.750 121.223 -0.027 0.000 2.401 368 L HA 0.626 5.006 4.340 0.066 0.000 0.266 368 L C -1.322 175.569 176.870 0.035 0.000 0.991 368 L CA -0.903 53.926 54.840 -0.019 0.000 0.818 368 L CB 2.150 44.229 42.059 0.034 0.000 1.321 368 L HN 0.462 nan 8.230 nan 0.000 0.413 369 L N 2.914 124.150 121.223 0.022 0.000 2.287 369 L HA 0.563 4.943 4.340 0.066 0.000 0.287 369 L C -0.677 176.278 176.870 0.141 0.000 1.022 369 L CA -0.256 54.616 54.840 0.054 0.000 0.814 369 L CB 1.754 43.811 42.059 -0.003 0.000 1.217 369 L HN 0.294 nan 8.230 nan 0.000 0.420 370 V N 5.631 125.700 119.914 0.259 0.000 2.350 370 V HA 0.406 4.566 4.120 0.066 0.000 0.276 370 V C 0.107 176.420 176.094 0.365 0.000 1.028 370 V CA -0.732 61.774 62.300 0.342 0.000 0.860 370 V CB 0.972 33.084 31.823 0.482 0.000 0.990 370 V HN 0.652 nan 8.190 nan 0.000 0.453 371 K N 3.450 124.007 120.400 0.263 0.000 2.183 371 K HA 0.746 5.106 4.320 0.066 0.000 0.274 371 K C 0.335 177.084 176.600 0.250 0.000 1.009 371 K CA -0.180 56.255 56.287 0.247 0.000 0.888 371 K CB 1.973 34.568 32.500 0.159 0.000 1.078 371 K HN 0.895 nan 8.250 nan 0.000 0.459 372 G N 1.262 110.236 108.800 0.290 0.000 2.782 372 G HA2 0.475 4.475 3.960 0.066 0.000 0.304 372 G HA3 0.475 4.475 3.960 0.066 0.000 0.304 372 G C -1.827 173.195 174.900 0.203 0.000 1.315 372 G CA -0.679 44.512 45.100 0.152 0.000 0.791 372 G HN 0.790 nan 8.290 nan 0.000 0.519 373 H N -2.345 116.708 119.070 -0.028 0.000 2.974 373 H HA 0.681 5.278 4.556 0.067 0.000 0.366 373 H C -1.774 173.503 175.328 -0.085 0.000 1.155 373 H CA -1.033 55.020 56.048 0.009 0.000 1.186 373 H CB 0.999 30.799 29.762 0.064 0.000 1.799 373 H HN 0.484 nan 8.280 nan 0.000 0.541 374 Y N 0.531 120.917 120.300 0.145 0.000 2.295 374 Y HA 0.149 4.739 4.550 0.066 0.000 0.331 374 Y C 2.132 178.108 175.900 0.127 0.000 1.311 374 Y CA 0.326 58.474 58.100 0.081 0.000 1.430 374 Y CB 1.189 39.711 38.460 0.104 0.000 1.339 374 Y HN 0.933 nan 8.280 nan 0.000 0.552 375 T N -3.263 111.443 114.554 0.252 0.000 2.962 375 T HA -0.167 4.223 4.350 0.066 0.000 0.270 375 T C 0.913 175.713 174.700 0.166 0.000 1.088 375 T CA 1.314 63.522 62.100 0.181 0.000 1.127 375 T CB -0.360 68.580 68.868 0.119 0.000 0.883 375 T HN 0.729 nan 8.240 nan 0.000 0.493 376 D N 0.888 121.391 120.400 0.173 0.000 2.349 376 D HA 0.237 4.917 4.640 0.066 0.000 0.224 376 D C 1.683 178.055 176.300 0.120 0.000 1.029 376 D CA 0.649 54.718 54.000 0.113 0.000 0.879 376 D CB -0.673 40.166 40.800 0.065 0.000 0.906 376 D HN 0.604 nan 8.370 nan 0.000 0.528 377 G N -0.116 108.791 108.800 0.178 0.000 2.213 377 G HA2 -0.270 3.730 3.960 0.066 0.000 0.226 377 G HA3 -0.270 3.730 3.960 0.066 0.000 0.226 377 G C 0.178 175.186 174.900 0.180 0.000 0.992 377 G CA -0.092 45.099 45.100 0.153 0.000 0.632 377 G HN 0.426 nan 8.290 nan 0.000 0.511 378 K N 1.218 121.752 120.400 0.223 0.000 2.382 378 K HA 0.345 4.705 4.320 0.066 0.000 0.275 378 K C 0.279 177.121 176.600 0.403 0.000 1.009 378 K CA 0.032 56.468 56.287 0.248 0.000 0.970 378 K CB 0.514 33.102 32.500 0.146 0.000 0.934 378 K HN 0.025 nan 8.250 nan 0.000 0.479 379 K N 2.681 123.260 120.400 0.298 0.000 2.205 379 K HA 0.170 4.530 4.320 0.066 0.000 0.279 379 K C -0.457 176.352 176.600 0.347 0.000 1.027 379 K CA -0.371 56.088 56.287 0.287 0.000 0.932 379 K CB 0.614 33.216 32.500 0.169 0.000 1.032 379 K HN 0.435 nan 8.250 nan 0.000 0.466 380 F N 2.040 122.076 119.950 0.144 0.000 2.405 380 F HA 0.151 4.718 4.527 0.066 0.000 0.355 380 F C 0.066 175.919 175.800 0.089 0.000 1.121 380 F CA -0.227 57.832 58.000 0.099 0.000 1.112 380 F CB 0.821 39.743 39.000 -0.129 0.000 1.126 380 F HN 0.534 nan 8.300 nan 0.000 0.481 381 E N 5.874 125.863 120.200 -0.353 0.000 2.528 381 E HA 0.187 4.577 4.350 0.066 0.000 0.277 381 E C -1.572 174.784 176.600 -0.407 0.000 0.980 381 E CA -0.330 55.934 56.400 -0.226 0.000 0.796 381 E CB 0.824 30.481 29.700 -0.073 0.000 1.427 381 E HN 0.799 nan 8.360 nan 0.000 0.394 382 E N 2.732 122.665 120.200 -0.445 0.000 2.340 382 E HA 0.280 4.670 4.350 0.066 0.000 0.273 382 E C -1.149 175.217 176.600 -0.389 0.000 0.891 382 E CA -0.695 55.418 56.400 -0.478 0.000 0.757 382 E CB 1.673 30.969 29.700 -0.673 0.000 1.231 382 E HN 0.372 nan 8.360 nan 0.000 0.439 383 E N 2.068 121.961 120.200 -0.512 0.000 2.249 383 E HA 0.365 4.755 4.350 0.066 0.000 0.280 383 E C -1.169 175.026 176.600 -0.676 0.000 1.016 383 E CA -0.202 55.967 56.400 -0.386 0.000 0.830 383 E CB 0.964 30.520 29.700 -0.241 0.000 1.081 383 E HN 0.198 nan 8.360 nan 0.000 0.395 384 F N 0.543 120.483 119.950 -0.016 0.000 2.578 384 F HA 0.205 4.772 4.527 0.067 0.000 0.311 384 F C 1.134 176.909 175.800 -0.041 0.000 1.094 384 F CA -0.665 57.322 58.000 -0.023 0.000 0.923 384 F CB 1.703 40.693 39.000 -0.017 0.000 1.230 384 F HN 0.450 nan 8.300 nan 0.000 0.450 385 E N 0.236 120.518 120.200 0.137 0.000 2.208 385 E HA 0.030 4.420 4.350 0.066 0.000 0.193 385 E C -0.203 176.417 176.600 0.033 0.000 0.988 385 E CA 0.931 57.354 56.400 0.038 0.000 0.828 385 E CB 0.282 29.988 29.700 0.010 0.000 0.763 385 E HN 0.483 nan 8.360 nan 0.000 0.478 386 T N 0.315 114.903 114.554 0.057 0.000 2.971 386 T HA 0.362 4.752 4.350 0.066 0.000 0.304 386 T C -0.986 173.664 174.700 -0.084 0.000 1.038 386 T CA -0.613 61.491 62.100 0.007 0.000 1.007 386 T CB 2.432 71.292 68.868 -0.013 0.000 1.055 386 T HN -0.256 nan 8.240 nan 0.000 0.451 387 V N 4.417 124.248 119.914 -0.138 0.000 2.378 387 V HA 0.510 4.670 4.120 0.066 0.000 0.288 387 V C -0.347 175.464 176.094 -0.470 0.000 1.016 387 V CA -0.731 61.356 62.300 -0.355 0.000 0.840 387 V CB 1.107 32.712 31.823 -0.363 0.000 0.994 387 V HN 0.778 nan 8.190 nan 0.000 0.431 388 I N 5.180 125.449 120.570 -0.501 0.000 2.339 388 I HA 0.444 4.654 4.170 0.066 0.000 0.290 388 I C -0.783 175.026 176.117 -0.513 0.000 0.994 388 I CA -0.265 60.787 61.300 -0.413 0.000 1.191 388 I CB 1.265 39.093 38.000 -0.286 0.000 1.343 388 I HN 0.388 nan 8.210 nan 0.000 0.458 389 F N 5.033 124.878 119.950 -0.175 0.000 2.405 389 F HA 0.525 5.092 4.527 0.066 0.000 0.355 389 F C 0.641 176.307 175.800 -0.223 0.000 1.121 389 F CA -0.506 57.369 58.000 -0.208 0.000 1.112 389 F CB 1.405 40.242 39.000 -0.271 0.000 1.126 389 F HN 0.465 nan 8.300 nan 0.000 0.481 390 A N 3.019 125.830 122.820 -0.015 0.000 3.258 390 A HA 0.526 4.885 4.320 0.066 0.000 0.318 390 A C -0.058 177.504 177.584 -0.035 0.000 0.990 390 A CA -0.396 51.605 52.037 -0.060 0.000 0.885 390 A CB -0.205 18.735 19.000 -0.100 0.000 1.090 390 A HN 0.679 nan 8.150 nan 0.000 0.479 391 V N -1.393 118.508 119.914 -0.023 0.000 3.039 391 V HA 0.654 4.813 4.120 0.066 0.000 0.369 391 V C 0.630 176.716 176.094 -0.015 0.000 1.344 391 V CA 0.080 62.373 62.300 -0.012 0.000 1.270 391 V CB -1.108 30.711 31.823 -0.007 0.000 1.284 391 V HN 1.886 nan 8.190 nan 0.000 0.518 392 G N 0.808 109.597 108.800 -0.017 0.000 2.603 392 G HA2 -0.026 3.974 3.960 0.066 0.000 0.686 392 G HA3 -0.026 3.974 3.960 0.066 0.000 0.686 392 G C -0.740 174.159 174.900 -0.002 0.000 1.286 392 G CA -0.703 44.398 45.100 0.002 0.000 0.871 392 G HN 0.629 nan 8.290 nan 0.000 0.568 393 R N 0.065 120.578 120.500 0.022 0.000 2.807 393 R HA 0.661 5.041 4.340 0.066 0.000 0.276 393 R C -0.299 176.025 176.300 0.039 0.000 0.979 393 R CA -0.685 55.434 56.100 0.032 0.000 0.928 393 R CB 2.119 32.447 30.300 0.047 0.000 1.191 393 R HN 0.864 nan 8.270 nan 0.000 0.471 394 E N 1.919 122.145 120.200 0.043 0.000 2.293 394 E HA 0.482 4.871 4.350 0.066 0.000 0.270 394 E C -2.776 173.851 176.600 0.046 0.000 0.879 394 E CA -2.415 54.010 56.400 0.040 0.000 0.756 394 E CB 2.564 32.285 29.700 0.036 0.000 1.208 394 E HN 0.181 nan 8.360 nan 0.000 0.428 395 P HA 0.047 nan 4.420 nan 0.000 0.275 395 P C -0.863 176.460 177.300 0.038 0.000 1.227 395 P CA -0.225 62.899 63.100 0.040 0.000 0.781 395 P CB 0.660 32.378 31.700 0.031 0.000 0.906 396 Q N 2.130 121.956 119.800 0.043 0.000 2.851 396 Q HA 0.284 4.664 4.340 0.066 0.000 0.331 396 Q C 0.645 176.667 176.000 0.037 0.000 0.979 396 Q CA -0.191 55.636 55.803 0.041 0.000 0.955 396 Q CB 0.279 29.047 28.738 0.049 0.000 1.298 396 Q HN 0.426 nan 8.270 nan 0.000 0.432 397 L N -0.308 120.933 121.223 0.029 0.000 2.592 397 L HA -0.017 4.363 4.340 0.066 0.000 0.227 397 L C 2.079 178.961 176.870 0.019 0.000 1.127 397 L CA 0.432 55.286 54.840 0.024 0.000 0.884 397 L CB 0.075 42.145 42.059 0.018 0.000 1.065 397 L HN 0.418 nan 8.230 nan 0.000 0.457 398 S N -0.391 115.320 115.700 0.019 0.000 2.423 398 S HA -0.142 4.368 4.470 0.066 0.000 0.231 398 S C 1.804 176.414 174.600 0.017 0.000 1.014 398 S CA 0.640 58.849 58.200 0.015 0.000 0.965 398 S CB -0.157 63.051 63.200 0.013 0.000 0.785 398 S HN 0.410 nan 8.310 nan 0.000 0.495 399 K N 0.517 120.932 120.400 0.025 0.000 2.365 399 K HA 0.180 4.540 4.320 0.066 0.000 0.197 399 K C 1.533 178.149 176.600 0.028 0.000 1.042 399 K CA 0.764 57.069 56.287 0.029 0.000 0.987 399 K CB 0.030 32.558 32.500 0.047 0.000 0.779 399 K HN 0.306 nan 8.250 nan 0.000 0.484 400 V N 0.085 120.016 119.914 0.027 0.000 2.806 400 V HA -0.057 4.103 4.120 0.066 0.000 0.239 400 V C 1.721 177.824 176.094 0.014 0.000 1.113 400 V CA 0.495 62.810 62.300 0.026 0.000 1.137 400 V CB -0.134 31.709 31.823 0.033 0.000 0.865 400 V HN 0.051 nan 8.190 nan 0.000 0.482 401 L N -0.336 120.893 121.223 0.011 0.000 1.971 401 L HA 0.204 4.583 4.340 0.066 0.000 0.208 401 L C 0.543 177.413 176.870 0.000 0.000 1.083 401 L CA 1.552 56.394 54.840 0.003 0.000 0.753 401 L CB -0.216 41.843 42.059 0.000 0.000 0.893 401 L HN 0.529 nan 8.230 nan 0.000 0.436 402 C N -0.423 118.878 119.300 0.001 0.000 0.461 402 C HA -0.066 4.434 4.460 0.066 0.000 0.059 402 C C 1.450 176.438 174.990 -0.003 0.000 0.197 402 C CA -0.920 58.098 59.018 -0.000 0.000 0.756 402 C CB -1.560 26.180 27.740 -0.000 0.000 3.177 402 C HN 0.667 nan 8.230 nan 0.000 1.101 403 E N 0.484 120.683 120.200 -0.002 0.000 2.268 403 E HA -0.177 4.213 4.350 0.066 0.000 0.195 403 E C 1.918 178.515 176.600 -0.005 0.000 0.995 403 E CA 1.386 57.783 56.400 -0.004 0.000 0.836 403 E CB 0.166 29.865 29.700 -0.002 0.000 0.763 403 E HN 0.792 nan 8.360 nan 0.000 0.491 404 T N -0.227 114.325 114.554 -0.003 0.000 3.085 404 T HA -0.017 4.373 4.350 0.066 0.000 0.263 404 T C 1.735 176.433 174.700 -0.003 0.000 1.127 404 T CA 0.236 62.336 62.100 -0.001 0.000 1.103 404 T CB 0.112 68.982 68.868 0.002 0.000 0.921 404 T HN -0.055 nan 8.240 nan 0.000 0.510 405 V N 0.677 120.586 119.914 -0.008 0.000 2.358 405 V HA 0.177 4.337 4.120 0.066 0.000 0.246 405 V C 2.133 178.214 176.094 -0.022 0.000 1.047 405 V CA 1.431 63.722 62.300 -0.015 0.000 1.035 405 V CB -0.861 30.949 31.823 -0.022 0.000 0.658 405 V HN 0.690 nan 8.190 nan 0.000 0.452 406 G N -0.341 108.446 108.800 -0.022 0.000 2.135 406 G HA2 -0.174 3.826 3.960 0.066 0.000 0.183 406 G HA3 -0.174 3.826 3.960 0.066 0.000 0.183 406 G C -0.040 174.840 174.900 -0.034 0.000 1.004 406 G CA -0.107 44.978 45.100 -0.025 0.000 0.677 406 G HN 0.407 nan 8.290 nan 0.000 0.512 407 V N 1.446 121.339 119.914 -0.035 0.000 2.405 407 V HA 0.313 4.473 4.120 0.066 0.000 0.264 407 V C 1.035 177.111 176.094 -0.030 0.000 1.048 407 V CA -0.217 62.059 62.300 -0.040 0.000 0.966 407 V CB 1.350 33.150 31.823 -0.039 0.000 1.015 407 V HN 0.413 nan 8.190 nan 0.000 0.477 408 K N 5.558 125.938 120.400 -0.033 0.000 2.368 408 K HA 0.481 4.841 4.320 0.066 0.000 0.282 408 K C -0.942 175.645 176.600 -0.022 0.000 1.035 408 K CA -0.309 55.963 56.287 -0.026 0.000 0.973 408 K CB 0.468 32.951 32.500 -0.027 0.000 0.957 408 K HN 0.587 nan 8.250 nan 0.000 0.474 409 L N 3.306 124.519 121.223 -0.016 0.000 2.341 409 L HA 0.321 4.701 4.340 0.066 0.000 0.267 409 L C 0.051 176.914 176.870 -0.012 0.000 1.009 409 L CA -1.233 53.599 54.840 -0.013 0.000 0.819 409 L CB 1.705 43.760 42.059 -0.007 0.000 1.323 409 L HN 0.819 nan 8.230 nan 0.000 0.425 410 D N 0.532 120.925 120.400 -0.012 0.000 2.440 410 D HA 0.049 4.729 4.640 0.066 0.000 0.269 410 D C 0.740 177.036 176.300 -0.007 0.000 1.249 410 D CA -0.537 53.456 54.000 -0.011 0.000 1.055 410 D CB 0.529 41.321 40.800 -0.014 0.000 1.104 410 D HN 0.585 nan 8.370 nan 0.000 0.561 411 K N -0.584 119.813 120.400 -0.006 0.000 2.283 411 K HA -0.104 4.256 4.320 0.066 0.000 0.202 411 K C 0.926 177.526 176.600 -0.000 0.000 1.048 411 K CA 1.174 57.459 56.287 -0.003 0.000 0.948 411 K CB -0.553 31.945 32.500 -0.003 0.000 0.742 411 K HN 0.340 nan 8.250 nan 0.000 0.458 412 N N 0.212 118.912 118.700 -0.000 0.000 2.422 412 N HA 0.054 4.834 4.740 0.066 0.000 0.181 412 N C 0.553 176.067 175.510 0.007 0.000 1.080 412 N CA 0.381 53.434 53.050 0.004 0.000 0.893 412 N CB 0.712 39.201 38.487 0.004 0.000 0.973 412 N HN 0.473 nan 8.380 nan 0.000 0.456 413 G N 0.853 109.655 108.800 0.004 0.000 2.141 413 G HA2 -0.260 3.740 3.960 0.066 0.000 0.231 413 G HA3 -0.260 3.740 3.960 0.066 0.000 0.231 413 G C -0.063 174.840 174.900 0.006 0.000 0.984 413 G CA -0.436 44.667 45.100 0.006 0.000 0.660 413 G HN 0.199 nan 8.290 nan 0.000 0.525 414 R N -0.256 120.244 120.500 0.001 0.000 2.486 414 R HA 0.555 4.935 4.340 0.066 0.000 0.286 414 R C 0.433 176.727 176.300 -0.009 0.000 0.999 414 R CA -0.710 55.389 56.100 -0.001 0.000 0.993 414 R CB 1.732 32.029 30.300 -0.004 0.000 1.084 414 R HN 0.079 nan 8.270 nan 0.000 0.487 415 V N 3.194 123.103 119.914 -0.009 0.000 2.521 415 V HA 0.023 4.183 4.120 0.066 0.000 0.286 415 V C 0.414 176.493 176.094 -0.025 0.000 1.034 415 V CA -0.330 61.960 62.300 -0.015 0.000 1.045 415 V CB 0.978 32.794 31.823 -0.011 0.000 0.974 415 V HN 0.435 nan 8.190 nan 0.000 0.480 416 V N 5.218 125.115 119.914 -0.028 0.000 2.439 416 V HA 0.162 4.322 4.120 0.066 0.000 0.271 416 V C 0.316 176.389 176.094 -0.036 0.000 1.040 416 V CA -0.021 62.260 62.300 -0.033 0.000 1.002 416 V CB 0.229 32.035 31.823 -0.029 0.000 1.000 416 V HN 1.048 nan 8.190 nan 0.000 0.477 417 C N 3.692 122.971 119.300 -0.036 0.000 2.667 417 C HA 0.733 5.233 4.460 0.066 0.000 0.323 417 C C 0.971 175.952 174.990 -0.016 0.000 1.214 417 C CA -0.652 58.351 59.018 -0.026 0.000 1.721 417 C CB 1.909 29.643 27.740 -0.010 0.000 2.275 417 C HN 0.949 nan 8.230 nan 0.000 0.491 418 T N -1.164 113.392 114.554 0.003 0.000 2.732 418 T HA 0.152 4.542 4.350 0.066 0.000 0.287 418 T C 0.890 175.621 174.700 0.053 0.000 0.993 418 T CA 0.288 62.402 62.100 0.024 0.000 0.966 418 T CB 0.340 69.227 68.868 0.032 0.000 1.047 418 T HN 0.773 nan 8.240 nan 0.000 0.527 419 D N -0.310 120.132 120.400 0.071 0.000 2.378 419 D HA -0.112 4.567 4.640 0.066 0.000 0.222 419 D C 0.905 177.303 176.300 0.163 0.000 0.980 419 D CA 0.621 54.691 54.000 0.115 0.000 0.907 419 D CB -0.368 40.495 40.800 0.106 0.000 0.899 419 D HN 0.812 nan 8.370 nan 0.000 0.527 420 D N 0.021 120.509 120.400 0.148 0.000 2.501 420 D HA 0.050 4.730 4.640 0.066 0.000 0.226 420 D C -0.251 176.187 176.300 0.229 0.000 1.198 420 D CA -0.348 53.755 54.000 0.172 0.000 0.830 420 D CB 0.089 40.978 40.800 0.149 0.000 1.014 420 D HN -0.047 nan 8.370 nan 0.000 0.496 421 E N -0.281 120.043 120.200 0.206 0.000 3.286 421 E HA -0.244 4.146 4.350 0.066 0.000 0.292 421 E C -0.093 176.666 176.600 0.265 0.000 0.928 421 E CA 0.634 57.167 56.400 0.223 0.000 0.982 421 E CB -1.903 27.943 29.700 0.242 0.000 1.500 421 E HN 0.571 nan 8.360 nan 0.000 0.441 422 Q N 1.107 120.999 119.800 0.154 0.000 2.288 422 Q HA 0.277 4.657 4.340 0.066 0.000 0.258 422 Q C 0.579 176.472 176.000 -0.178 0.000 0.957 422 Q CA 0.436 56.125 55.803 -0.190 0.000 0.919 422 Q CB 0.737 29.379 28.738 -0.160 0.000 1.185 422 Q HN 0.323 nan 8.270 nan 0.000 0.408 423 T N -0.202 114.189 114.554 -0.271 0.000 2.753 423 T HA 0.091 4.481 4.350 0.066 0.000 0.309 423 T C 1.307 175.916 174.700 -0.153 0.000 1.043 423 T CA 0.125 62.127 62.100 -0.164 0.000 0.964 423 T CB 0.535 69.314 68.868 -0.147 0.000 1.206 423 T HN 0.729 nan 8.240 nan 0.000 0.528 424 T N -1.781 112.710 114.554 -0.105 0.000 3.035 424 T HA 0.108 4.498 4.350 0.066 0.000 0.268 424 T C 0.721 175.363 174.700 -0.096 0.000 1.109 424 T CA 0.003 62.052 62.100 -0.084 0.000 1.119 424 T CB -0.445 68.390 68.868 -0.056 0.000 0.900 424 T HN 0.434 nan 8.240 nan 0.000 0.503 425 V N 2.392 122.229 119.914 -0.127 0.000 2.364 425 V HA 0.265 4.424 4.120 0.066 0.000 0.272 425 V C 1.230 177.197 176.094 -0.212 0.000 1.036 425 V CA -0.474 61.742 62.300 -0.139 0.000 0.880 425 V CB 1.211 32.955 31.823 -0.132 0.000 0.991 425 V HN 0.311 nan 8.190 nan 0.000 0.460 426 S N 3.645 119.243 115.700 -0.171 0.000 2.383 426 S HA -0.168 4.342 4.470 0.066 0.000 0.229 426 S C 1.839 176.280 174.600 -0.265 0.000 1.030 426 S CA 1.895 59.978 58.200 -0.194 0.000 1.002 426 S CB -0.250 62.903 63.200 -0.077 0.000 0.829 426 S HN 0.987 nan 8.310 nan 0.000 0.467 427 N N 1.161 119.745 118.700 -0.194 0.000 2.422 427 N HA -0.018 4.762 4.740 0.066 0.000 0.181 427 N C 0.118 175.557 175.510 -0.119 0.000 1.080 427 N CA 0.250 53.239 53.050 -0.102 0.000 0.893 427 N CB -0.143 38.259 38.487 -0.142 0.000 0.973 427 N HN 0.207 nan 8.380 nan 0.000 0.456 428 V N 1.514 121.257 119.914 -0.285 0.000 2.439 428 V HA 0.328 4.488 4.120 0.066 0.000 0.282 428 V C -0.855 175.020 176.094 -0.364 0.000 1.039 428 V CA -0.552 61.634 62.300 -0.191 0.000 0.913 428 V CB 0.379 32.110 31.823 -0.154 0.000 0.983 428 V HN 0.057 nan 8.190 nan 0.000 0.460 429 Y N 1.760 122.045 120.300 -0.024 0.000 2.545 429 Y HA 0.788 5.378 4.550 0.066 0.000 0.348 429 Y C 0.180 176.082 175.900 0.004 0.000 1.002 429 Y CA -0.830 57.267 58.100 -0.006 0.000 1.039 429 Y CB 2.302 40.764 38.460 0.003 0.000 1.271 429 Y HN 0.695 nan 8.280 nan 0.000 0.467 430 A N 3.080 125.998 122.820 0.163 0.000 2.374 430 A HA 0.876 5.235 4.320 0.066 0.000 0.305 430 A C -1.173 176.473 177.584 0.103 0.000 1.053 430 A CA -0.603 51.493 52.037 0.099 0.000 0.726 430 A CB 0.615 19.642 19.000 0.045 0.000 1.229 430 A HN 0.725 nan 8.150 nan 0.000 0.431 431 I N -0.552 120.071 120.570 0.089 0.000 2.934 431 I HA 0.955 5.164 4.170 0.066 0.000 0.306 431 I C 0.542 176.701 176.117 0.070 0.000 1.110 431 I CA -0.266 61.088 61.300 0.091 0.000 1.019 431 I CB 2.072 40.130 38.000 0.096 0.000 1.227 431 I HN 1.689 nan 8.210 nan 0.000 0.434 432 G N 3.278 112.125 108.800 0.077 0.000 2.503 432 G HA2 -0.235 3.765 3.960 0.066 0.000 0.235 432 G HA3 -0.235 3.765 3.960 0.066 0.000 0.235 432 G C 0.006 174.937 174.900 0.052 0.000 1.179 432 G CA 0.557 45.696 45.100 0.065 0.000 0.944 432 G HN 0.736 nan 8.290 nan 0.000 0.580 433 D N 0.731 121.161 120.400 0.051 0.000 2.224 433 D HA -0.001 4.679 4.640 0.066 0.000 0.205 433 D C 2.519 178.839 176.300 0.033 0.000 0.965 433 D CA 1.492 55.520 54.000 0.048 0.000 0.852 433 D CB -0.201 40.636 40.800 0.061 0.000 0.947 433 D HN 0.698 nan 8.370 nan 0.000 0.494 434 I N -2.199 118.391 120.570 0.032 0.000 3.251 434 I HA 0.031 4.241 4.170 0.066 0.000 0.277 434 I C 0.671 176.792 176.117 0.006 0.000 1.268 434 I CA 0.007 61.321 61.300 0.023 0.000 1.449 434 I CB -0.243 37.774 38.000 0.029 0.000 1.083 434 I HN -0.260 nan 8.210 nan 0.000 0.464 435 N N 3.202 121.901 118.700 -0.001 0.000 2.431 435 N HA 0.221 5.001 4.740 0.066 0.000 0.265 435 N C -0.167 175.305 175.510 -0.062 0.000 1.184 435 N CA 0.250 53.280 53.050 -0.033 0.000 0.943 435 N CB 1.043 39.503 38.487 -0.046 0.000 1.080 435 N HN 0.406 nan 8.380 nan 0.000 0.477 436 A N 2.473 125.257 122.820 -0.060 0.000 2.488 436 A HA 0.459 4.819 4.320 0.066 0.000 0.249 436 A C 1.359 178.887 177.584 -0.093 0.000 1.083 436 A CA 0.427 52.428 52.037 -0.059 0.000 0.768 436 A CB -0.297 18.677 19.000 -0.043 0.000 1.017 436 A HN 1.018 nan 8.150 nan 0.000 0.496 437 G N 1.601 110.352 108.800 -0.081 0.000 2.159 437 G HA2 -0.193 3.807 3.960 0.066 0.000 0.256 437 G HA3 -0.193 3.807 3.960 0.066 0.000 0.256 437 G C 0.142 174.962 174.900 -0.134 0.000 0.977 437 G CA 0.523 45.567 45.100 -0.093 0.000 0.652 437 G HN 0.725 nan 8.290 nan 0.000 0.531 438 K N 0.523 120.828 120.400 -0.159 0.000 2.123 438 K HA 0.526 4.886 4.320 0.066 0.000 0.259 438 K C -2.589 173.979 176.600 -0.054 0.000 0.960 438 K CA -2.228 53.941 56.287 -0.198 0.000 0.872 438 K CB 1.202 33.494 32.500 -0.347 0.000 1.079 438 K HN -0.023 nan 8.250 nan 0.000 0.440 439 P HA 0.029 nan 4.420 nan 0.000 0.261 439 P C -0.674 176.653 177.300 0.046 0.000 1.203 439 P CA 0.158 63.273 63.100 0.026 0.000 0.767 439 P CB 0.219 31.948 31.700 0.048 0.000 0.785 440 Q N 3.098 122.923 119.800 0.042 0.000 2.837 440 Q HA 0.268 4.648 4.340 0.066 0.000 0.235 440 Q C -0.315 175.733 176.000 0.081 0.000 1.348 440 Q CA 0.054 55.899 55.803 0.069 0.000 0.990 440 Q CB -0.248 28.543 28.738 0.089 0.000 1.570 440 Q HN 0.458 nan 8.270 nan 0.000 0.575 441 L N -0.828 120.434 121.223 0.066 0.000 2.350 441 L HA 0.372 4.752 4.340 0.066 0.000 0.260 441 L C 1.192 178.092 176.870 0.051 0.000 1.015 441 L CA -0.661 54.213 54.840 0.057 0.000 0.821 441 L CB 1.877 43.953 42.059 0.028 0.000 1.370 441 L HN 0.212 nan 8.230 nan 0.000 0.416 442 T N 0.035 114.617 114.554 0.048 0.000 2.674 442 T HA -0.064 4.326 4.350 0.066 0.000 0.265 442 T C -1.182 173.527 174.700 0.015 0.000 1.039 442 T CA 1.695 63.815 62.100 0.033 0.000 1.150 442 T CB -0.715 68.172 68.868 0.032 0.000 0.864 442 T HN 0.476 nan 8.240 nan 0.000 0.427 443 P HA 0.028 nan 4.420 nan 0.000 0.218 443 P C 1.575 178.847 177.300 -0.048 0.000 1.149 443 P CA 0.466 63.554 63.100 -0.021 0.000 0.817 443 P CB -0.236 31.450 31.700 -0.024 0.000 0.785 444 V N 0.432 120.334 119.914 -0.021 0.000 2.343 444 V HA -0.257 3.903 4.120 0.066 0.000 0.247 444 V C 2.508 178.607 176.094 0.009 0.000 1.051 444 V CA 2.287 64.581 62.300 -0.011 0.000 1.036 444 V CB -1.780 30.089 31.823 0.076 0.000 0.654 444 V HN 0.113 nan 8.190 nan 0.000 0.451 445 A N -0.200 122.638 122.820 0.030 0.000 1.898 445 A HA -0.125 4.234 4.320 0.066 0.000 0.216 445 A C 2.194 179.781 177.584 0.005 0.000 1.181 445 A CA 1.767 53.827 52.037 0.037 0.000 0.620 445 A CB -0.492 18.531 19.000 0.038 0.000 0.819 445 A HN 0.507 nan 8.150 nan 0.000 0.442 446 I N -0.996 119.563 120.570 -0.017 0.000 2.252 446 I HA -0.248 3.962 4.170 0.066 0.000 0.245 446 I C 2.753 178.829 176.117 -0.069 0.000 1.102 446 I CA 1.682 62.968 61.300 -0.024 0.000 1.385 446 I CB -0.278 37.714 38.000 -0.013 0.000 1.064 446 I HN 0.424 nan 8.210 nan 0.000 0.414 447 Q N 1.358 121.063 119.800 -0.158 0.000 2.050 447 Q HA -0.194 4.185 4.340 0.066 0.000 0.202 447 Q C 2.189 177.969 176.000 -0.366 0.000 0.980 447 Q CA 2.386 57.962 55.803 -0.379 0.000 0.840 447 Q CB -0.258 28.188 28.738 -0.485 0.000 0.898 447 Q HN 0.488 nan 8.270 nan 0.000 0.424 448 A N -0.327 122.383 122.820 -0.183 0.000 1.930 448 A HA -0.025 4.335 4.320 0.066 0.000 0.217 448 A C 2.259 179.867 177.584 0.040 0.000 1.175 448 A CA 1.550 53.564 52.037 -0.039 0.000 0.627 448 A CB -1.282 17.778 19.000 0.100 0.000 0.815 448 A HN 0.567 nan 8.150 nan 0.000 0.443 449 G N -0.660 108.159 108.800 0.033 0.000 2.404 449 G HA2 -0.177 3.822 3.960 0.066 0.000 0.215 449 G HA3 -0.177 3.822 3.960 0.066 0.000 0.215 449 G C 1.788 176.744 174.900 0.094 0.000 1.174 449 G CA 0.785 45.920 45.100 0.058 0.000 0.780 449 G HN 0.535 nan 8.290 nan 0.000 0.537 450 R N -1.026 119.540 120.500 0.109 0.000 2.075 450 R HA -0.037 4.343 4.340 0.066 0.000 0.232 450 R C 2.373 178.851 176.300 0.297 0.000 1.126 450 R CA 1.205 57.420 56.100 0.192 0.000 0.963 450 R CB -0.410 30.009 30.300 0.199 0.000 0.858 450 R HN 0.372 nan 8.270 nan 0.000 0.435 451 Y N 0.487 120.797 120.300 0.017 0.000 2.242 451 Y HA -0.140 4.450 4.550 0.067 0.000 0.291 451 Y C 2.069 177.958 175.900 -0.019 0.000 1.137 451 Y CA 0.468 58.568 58.100 -0.001 0.000 1.181 451 Y CB -0.601 37.845 38.460 -0.024 0.000 0.989 451 Y HN 0.034 nan 8.280 nan 0.000 0.527 452 L N 0.143 121.447 121.223 0.135 0.000 2.056 452 L HA -0.057 4.322 4.340 0.066 0.000 0.207 452 L C 2.303 179.132 176.870 -0.068 0.000 1.078 452 L CA 2.002 56.832 54.840 -0.016 0.000 0.749 452 L CB -1.032 40.998 42.059 -0.048 0.000 0.901 452 L HN 0.076 nan 8.230 nan 0.000 0.433 453 A N -0.621 122.235 122.820 0.059 0.000 1.969 453 A HA -0.202 4.157 4.320 0.066 0.000 0.218 453 A C 2.540 180.238 177.584 0.188 0.000 1.169 453 A CA 1.619 53.767 52.037 0.184 0.000 0.635 453 A CB -0.593 18.565 19.000 0.264 0.000 0.810 453 A HN 0.495 nan 8.150 nan 0.000 0.445 454 R N -0.668 119.889 120.500 0.096 0.000 2.119 454 R HA 0.005 4.385 4.340 0.066 0.000 0.222 454 R C 2.309 178.509 176.300 -0.167 0.000 1.088 454 R CA 0.875 56.943 56.100 -0.053 0.000 0.984 454 R CB -0.127 30.144 30.300 -0.048 0.000 0.884 454 R HN 0.501 nan 8.270 nan 0.000 0.447 455 R N -0.015 120.403 120.500 -0.137 0.000 2.090 455 R HA -0.043 4.337 4.340 0.066 0.000 0.228 455 R C 2.296 178.436 176.300 -0.266 0.000 1.110 455 R CA 0.992 56.998 56.100 -0.158 0.000 0.973 455 R CB -0.201 30.033 30.300 -0.110 0.000 0.869 455 R HN 0.213 nan 8.270 nan 0.000 0.440 456 L N -0.724 120.257 121.223 -0.402 0.000 2.056 456 L HA -0.098 4.282 4.340 0.066 0.000 0.207 456 L C 1.404 177.795 176.870 -0.799 0.000 1.078 456 L CA 1.371 55.767 54.840 -0.739 0.000 0.749 456 L CB -0.030 41.320 42.059 -1.182 0.000 0.901 456 L HN 0.117 nan 8.230 nan 0.000 0.433 457 F N -2.254 117.618 119.950 -0.130 0.000 2.752 457 F HA 0.309 4.875 4.527 0.066 0.000 0.310 457 F C 1.761 177.399 175.800 -0.271 0.000 1.097 457 F CA 0.315 58.246 58.000 -0.115 0.000 1.238 457 F CB -0.089 38.929 39.000 0.031 0.000 1.061 457 F HN -0.143 nan 8.300 nan 0.000 0.591 458 A N -0.375 122.241 122.820 -0.340 0.000 2.431 458 A HA 0.563 4.922 4.320 0.066 0.000 0.239 458 A C 1.717 179.116 177.584 -0.308 0.000 1.230 458 A CA 0.472 52.177 52.037 -0.553 0.000 0.928 458 A CB -0.621 17.643 19.000 -1.226 0.000 1.006 458 A HN 0.516 nan 8.150 nan 0.000 0.520 459 G N -0.665 107.993 108.800 -0.237 0.000 2.198 459 G HA2 0.100 4.099 3.960 0.066 0.000 0.257 459 G HA3 0.100 4.099 3.960 0.066 0.000 0.257 459 G C 0.456 175.431 174.900 0.125 0.000 1.042 459 G CA 0.464 45.479 45.100 -0.142 0.000 0.791 459 G HN 1.551 nan 8.290 nan 0.000 0.502 460 A N -0.754 122.063 122.820 -0.005 0.000 2.313 460 A HA 0.822 5.182 4.320 0.066 0.000 0.261 460 A C 1.483 179.117 177.584 0.084 0.000 1.090 460 A CA 1.121 53.168 52.037 0.017 0.000 0.807 460 A CB 0.551 19.482 19.000 -0.115 0.000 1.055 460 A HN 1.498 nan 8.150 nan 0.000 0.492 461 T N -1.929 112.651 114.554 0.043 0.000 2.975 461 T HA 0.215 4.605 4.350 0.066 0.000 0.261 461 T C 0.206 174.902 174.700 -0.007 0.000 0.984 461 T CA 0.057 62.188 62.100 0.051 0.000 0.911 461 T CB -0.246 68.639 68.868 0.027 0.000 1.127 461 T HN 0.662 nan 8.240 nan 0.000 0.514 462 E N 1.656 121.809 120.200 -0.077 0.000 2.415 462 E HA 0.319 4.709 4.350 0.066 0.000 0.260 462 E C -0.938 175.663 176.600 0.002 0.000 1.016 462 E CA -0.305 56.037 56.400 -0.097 0.000 0.924 462 E CB 0.500 30.029 29.700 -0.285 0.000 0.961 462 E HN 0.193 nan 8.360 nan 0.000 0.459 463 L N 2.527 123.800 121.223 0.083 0.000 2.375 463 L HA 0.211 4.591 4.340 0.066 0.000 0.268 463 L C 0.395 177.372 176.870 0.179 0.000 1.058 463 L CA -0.116 54.807 54.840 0.139 0.000 0.803 463 L CB 1.604 43.725 42.059 0.104 0.000 1.212 463 L HN 0.407 nan 8.230 nan 0.000 0.451 464 T N 0.882 115.475 114.554 0.065 0.000 2.779 464 T HA 0.068 4.458 4.350 0.066 0.000 0.296 464 T C -0.371 174.095 174.700 -0.390 0.000 0.938 464 T CA -0.197 61.741 62.100 -0.271 0.000 1.119 464 T CB 0.063 68.582 68.868 -0.581 0.000 0.891 464 T HN 0.346 nan 8.240 nan 0.000 0.526 465 D N 2.027 122.248 120.400 -0.299 0.000 2.339 465 D HA 0.140 4.820 4.640 0.066 0.000 0.241 465 D C -0.074 176.069 176.300 -0.263 0.000 1.183 465 D CA -0.317 53.575 54.000 -0.179 0.000 0.859 465 D CB 0.419 41.176 40.800 -0.071 0.000 1.067 465 D HN 0.530 nan 8.370 nan 0.000 0.484 466 Y N 0.943 121.239 120.300 -0.007 0.000 2.466 466 Y HA 0.060 4.649 4.550 0.066 0.000 0.272 466 Y C 1.324 177.215 175.900 -0.016 0.000 1.169 466 Y CA -0.255 57.835 58.100 -0.017 0.000 1.285 466 Y CB 0.120 38.574 38.460 -0.011 0.000 1.078 466 Y HN 0.217 nan 8.280 nan 0.000 0.523 467 S N -0.226 115.534 115.700 0.101 0.000 2.562 467 S HA 0.202 4.712 4.470 0.066 0.000 0.275 467 S C 0.221 174.837 174.600 0.026 0.000 1.281 467 S CA -0.608 57.629 58.200 0.062 0.000 1.045 467 S CB 0.481 63.715 63.200 0.056 0.000 0.962 467 S HN 0.555 nan 8.310 nan 0.000 0.503 468 N N -0.694 118.017 118.700 0.018 0.000 2.740 468 N HA -0.128 4.652 4.740 0.066 0.000 0.248 468 N C -0.879 174.620 175.510 -0.019 0.000 1.062 468 N CA 0.431 53.479 53.050 -0.003 0.000 0.704 468 N CB -1.458 37.029 38.487 0.001 0.000 0.968 468 N HN 0.500 nan 8.380 nan 0.000 0.547 469 V N 0.643 120.547 119.914 -0.016 0.000 2.470 469 V HA 0.431 4.591 4.120 0.066 0.000 0.276 469 V C 1.041 177.107 176.094 -0.047 0.000 1.040 469 V CA -0.220 62.063 62.300 -0.028 0.000 1.008 469 V CB 0.976 32.794 31.823 -0.009 0.000 0.990 469 V HN 0.377 nan 8.190 nan 0.000 0.477 470 A N 4.447 127.234 122.820 -0.055 0.000 2.388 470 A HA 0.615 4.974 4.320 0.066 0.000 0.257 470 A C 0.324 177.860 177.584 -0.081 0.000 1.095 470 A CA 0.049 52.041 52.037 -0.075 0.000 0.791 470 A CB 0.769 19.729 19.000 -0.067 0.000 1.029 470 A HN 0.797 nan 8.150 nan 0.000 0.489 471 T N 0.272 114.756 114.554 -0.117 0.000 2.901 471 T HA 0.728 5.118 4.350 0.066 0.000 0.293 471 T C -0.824 173.734 174.700 -0.235 0.000 1.084 471 T CA -0.288 61.733 62.100 -0.131 0.000 1.008 471 T CB 1.468 70.288 68.868 -0.080 0.000 1.170 471 T HN 0.664 nan 8.240 nan 0.000 0.509 472 T N 2.209 116.579 114.554 -0.306 0.000 3.143 472 T HA 0.410 4.799 4.350 0.066 0.000 0.312 472 T C -0.863 173.432 174.700 -0.676 0.000 0.986 472 T CA -0.453 61.314 62.100 -0.555 0.000 1.024 472 T CB 1.163 69.606 68.868 -0.709 0.000 1.030 472 T HN 0.501 nan 8.240 nan 0.000 0.448 473 V N 4.336 123.947 119.914 -0.506 0.000 2.389 473 V HA 0.280 4.440 4.120 0.066 0.000 0.264 473 V C -0.090 175.811 176.094 -0.323 0.000 1.049 473 V CA -0.366 61.757 62.300 -0.296 0.000 0.932 473 V CB -0.308 31.414 31.823 -0.167 0.000 1.011 473 V HN 0.843 nan 8.190 nan 0.000 0.475 474 F N 3.665 123.572 119.950 -0.071 0.000 2.733 474 F HA 0.185 4.732 4.527 0.034 0.000 0.344 474 F C 1.558 177.175 175.800 -0.305 0.000 1.179 474 F CA -0.470 57.352 58.000 -0.295 0.000 1.316 474 F CB -0.539 38.204 39.000 -0.428 0.000 1.577 474 F HN 0.559 nan 8.300 nan 0.000 0.591 475 T N -2.338 112.231 114.554 0.025 0.000 2.754 475 T HA 0.173 4.563 4.350 0.066 0.000 0.286 475 T C -1.461 173.382 174.700 0.237 0.000 0.997 475 T CA -1.690 60.490 62.100 0.133 0.000 0.982 475 T CB 0.891 69.837 68.868 0.131 0.000 1.027 475 T HN -0.046 nan 8.240 nan 0.000 0.529 476 P HA -0.090 nan 4.420 nan 0.000 0.218 476 P C 0.292 177.744 177.300 0.254 0.000 1.165 476 P CA 0.841 64.172 63.100 0.385 0.000 0.922 476 P CB -0.055 31.932 31.700 0.479 0.000 0.794 477 L N 0.065 121.260 121.223 -0.046 0.000 2.262 477 L HA 0.211 4.591 4.340 0.066 0.000 0.288 477 L C 0.065 176.916 176.870 -0.032 0.000 1.035 477 L CA -0.557 54.126 54.840 -0.263 0.000 0.820 477 L CB 0.236 41.731 42.059 -0.941 0.000 1.204 477 L HN -0.102 nan 8.230 nan 0.000 0.424 478 E N 3.518 123.756 120.200 0.062 0.000 2.398 478 E HA 0.058 4.447 4.350 0.066 0.000 0.263 478 E C -1.458 175.188 176.600 0.077 0.000 1.046 478 E CA 0.146 56.569 56.400 0.039 0.000 0.908 478 E CB 0.741 30.467 29.700 0.043 0.000 0.963 478 E HN 0.460 nan 8.360 nan 0.000 0.431 479 Y N 1.104 121.334 120.300 -0.117 0.000 2.332 479 Y HA 0.483 5.071 4.550 0.064 0.000 0.326 479 Y C -0.430 175.420 175.900 -0.084 0.000 0.978 479 Y CA -0.984 57.082 58.100 -0.057 0.000 1.205 479 Y CB 1.176 39.608 38.460 -0.046 0.000 1.131 479 Y HN 0.477 nan 8.280 nan 0.000 0.462 480 G N 3.707 112.334 108.800 -0.288 0.000 2.372 480 G HA2 0.715 4.715 3.960 0.066 0.000 0.323 480 G HA3 0.715 4.715 3.960 0.066 0.000 0.323 480 G C -1.560 173.087 174.900 -0.421 0.000 1.152 480 G CA -0.478 44.397 45.100 -0.374 0.000 0.906 480 G HN 1.004 nan 8.290 nan 0.000 0.460 481 A N 0.646 123.195 122.820 -0.451 0.000 2.449 481 A HA 0.669 5.028 4.320 0.066 0.000 0.302 481 A C -0.963 176.466 177.584 -0.260 0.000 1.048 481 A CA -0.601 51.216 52.037 -0.366 0.000 0.708 481 A CB 1.669 20.493 19.000 -0.293 0.000 1.274 481 A HN 1.403 nan 8.150 nan 0.000 0.410 482 C N 2.324 121.453 119.300 -0.285 0.000 2.432 482 C HA 0.837 5.337 4.460 0.066 0.000 0.334 482 C C 0.686 175.574 174.990 -0.170 0.000 1.155 482 C CA 1.227 60.139 59.018 -0.176 0.000 1.335 482 C CB -0.071 27.599 27.740 -0.117 0.000 1.964 482 C HN 2.719 nan 8.230 nan 0.000 0.444 483 G N 4.952 113.694 108.800 -0.097 0.000 2.445 483 G HA2 -0.044 3.956 3.960 0.066 0.000 0.212 483 G HA3 -0.044 3.956 3.960 0.066 0.000 0.212 483 G C -1.108 173.799 174.900 0.013 0.000 1.217 483 G CA -0.335 44.743 45.100 -0.037 0.000 1.002 483 G HN 0.942 nan 8.290 nan 0.000 0.574 484 L N 1.433 122.702 121.223 0.077 0.000 2.375 484 L HA 0.543 4.923 4.340 0.066 0.000 0.271 484 L C 1.531 178.574 176.870 0.289 0.000 1.107 484 L CA -0.088 54.834 54.840 0.138 0.000 0.806 484 L CB 1.494 43.630 42.059 0.129 0.000 1.146 484 L HN 0.940 nan 8.230 nan 0.000 0.447 485 S N 0.120 115.969 115.700 0.248 0.000 2.593 485 S HA 0.045 4.554 4.470 0.066 0.000 0.269 485 S C 0.862 175.524 174.600 0.105 0.000 1.334 485 S CA -0.510 57.812 58.200 0.203 0.000 1.015 485 S CB 1.257 64.528 63.200 0.118 0.000 0.912 485 S HN 0.774 nan 8.310 nan 0.000 0.541 486 E N 1.130 121.329 120.200 -0.001 0.000 2.085 486 E HA -0.236 4.154 4.350 0.066 0.000 0.194 486 E C 1.993 178.602 176.600 0.015 0.000 0.994 486 E CA 1.616 58.020 56.400 0.007 0.000 0.801 486 E CB -0.139 29.535 29.700 -0.043 0.000 0.743 486 E HN 0.869 nan 8.360 nan 0.000 0.453 487 E N 0.351 120.553 120.200 0.003 0.000 2.150 487 E HA -0.205 4.185 4.350 0.066 0.000 0.193 487 E C 1.223 177.829 176.600 0.010 0.000 0.985 487 E CA 1.147 57.548 56.400 0.002 0.000 0.814 487 E CB -0.191 29.506 29.700 -0.004 0.000 0.752 487 E HN 0.267 nan 8.360 nan 0.000 0.466 488 D N 1.464 121.878 120.400 0.023 0.000 2.194 488 D HA 0.051 4.731 4.640 0.066 0.000 0.204 488 D C 1.907 178.218 176.300 0.017 0.000 0.964 488 D CA 1.616 55.624 54.000 0.013 0.000 0.846 488 D CB -0.128 40.685 40.800 0.022 0.000 0.962 488 D HN 0.324 nan 8.370 nan 0.000 0.490 489 A N 0.335 123.196 122.820 0.069 0.000 1.968 489 A HA -0.043 4.317 4.320 0.066 0.000 0.217 489 A C 2.254 179.917 177.584 0.132 0.000 1.169 489 A CA 0.584 52.706 52.037 0.143 0.000 0.638 489 A CB -0.494 18.609 19.000 0.172 0.000 0.812 489 A HN 0.164 nan 8.150 nan 0.000 0.446 490 I N -0.719 119.891 120.570 0.067 0.000 2.286 490 I HA -0.190 4.020 4.170 0.066 0.000 0.245 490 I C 2.485 178.610 176.117 0.014 0.000 1.104 490 I CA 1.616 62.944 61.300 0.046 0.000 1.397 490 I CB -0.156 37.855 38.000 0.019 0.000 1.072 490 I HN 0.371 nan 8.210 nan 0.000 0.417 491 E N 1.475 121.666 120.200 -0.015 0.000 2.110 491 E HA -0.253 4.137 4.350 0.066 0.000 0.193 491 E C 2.089 178.629 176.600 -0.100 0.000 0.988 491 E CA 1.534 57.907 56.400 -0.045 0.000 0.804 491 E CB -0.042 29.633 29.700 -0.043 0.000 0.745 491 E HN 0.238 nan 8.360 nan 0.000 0.458 492 K N -1.559 118.734 120.400 -0.178 0.000 2.062 492 K HA -0.090 4.270 4.320 0.066 0.000 0.205 492 K C 0.847 177.126 176.600 -0.535 0.000 1.051 492 K CA 1.239 57.263 56.287 -0.439 0.000 0.941 492 K CB 0.037 32.125 32.500 -0.687 0.000 0.719 492 K HN 0.216 nan 8.250 nan 0.000 0.440 493 Y N -1.002 119.300 120.300 0.003 0.000 2.471 493 Y HA 0.321 4.910 4.550 0.066 0.000 0.249 493 Y C 0.371 176.271 175.900 -0.001 0.000 1.116 493 Y CA 0.049 58.151 58.100 0.003 0.000 1.240 493 Y CB 1.543 40.006 38.460 0.005 0.000 1.251 493 Y HN 0.159 nan 8.280 nan 0.000 0.527 494 G N 0.894 109.756 108.800 0.103 0.000 2.692 494 G HA2 -0.262 3.737 3.960 0.066 0.000 0.686 494 G HA3 -0.262 3.737 3.960 0.066 0.000 0.686 494 G C -0.167 174.768 174.900 0.058 0.000 1.243 494 G CA -0.148 44.989 45.100 0.062 0.000 0.782 494 G HN 0.199 nan 8.290 nan 0.000 0.625 495 D N 0.039 120.456 120.400 0.028 0.000 2.178 495 D HA -0.034 4.646 4.640 0.066 0.000 0.202 495 D C 2.276 178.580 176.300 0.006 0.000 0.974 495 D CA 1.677 55.684 54.000 0.012 0.000 0.841 495 D CB 0.034 40.833 40.800 -0.002 0.000 0.953 495 D HN 0.540 nan 8.370 nan 0.000 0.478 496 K N -0.426 119.980 120.400 0.011 0.000 2.288 496 K HA -0.077 4.282 4.320 0.066 0.000 0.201 496 K C 0.951 177.554 176.600 0.006 0.000 1.048 496 K CA 0.922 57.212 56.287 0.004 0.000 0.956 496 K CB 0.161 32.665 32.500 0.007 0.000 0.746 496 K HN 0.073 nan 8.250 nan 0.000 0.461 497 D N 0.137 120.550 120.400 0.023 0.000 2.349 497 D HA 0.041 4.721 4.640 0.066 0.000 0.214 497 D C -0.515 175.786 176.300 0.001 0.000 1.063 497 D CA 0.172 54.181 54.000 0.016 0.000 0.847 497 D CB 0.431 41.258 40.800 0.045 0.000 0.933 497 D HN -0.083 nan 8.370 nan 0.000 0.513 498 I N 1.423 121.996 120.570 0.005 0.000 2.378 498 I HA 0.354 4.564 4.170 0.066 0.000 0.291 498 I C -0.110 175.977 176.117 -0.049 0.000 0.992 498 I CA -0.771 60.526 61.300 -0.006 0.000 1.154 498 I CB 1.515 39.528 38.000 0.022 0.000 1.315 498 I HN -0.149 nan 8.210 nan 0.000 0.448 499 E N 5.323 125.482 120.200 -0.068 0.000 2.199 499 E HA 0.545 4.935 4.350 0.066 0.000 0.265 499 E C -1.529 174.955 176.600 -0.194 0.000 0.882 499 E CA -0.467 55.831 56.400 -0.169 0.000 0.759 499 E CB 1.781 31.366 29.700 -0.191 0.000 1.148 499 E HN 0.309 nan 8.360 nan 0.000 0.412 500 V N 5.828 125.579 119.914 -0.273 0.000 2.313 500 V HA 0.320 4.480 4.120 0.066 0.000 0.278 500 V C -0.913 175.014 176.094 -0.279 0.000 1.017 500 V CA -0.731 61.450 62.300 -0.197 0.000 0.823 500 V CB 0.188 31.911 31.823 -0.166 0.000 1.010 500 V HN 0.630 nan 8.190 nan 0.000 0.443 501 Y N 4.802 125.075 120.300 -0.045 0.000 2.336 501 Y HA 0.595 5.184 4.550 0.066 0.000 0.335 501 Y C 0.726 176.653 175.900 0.045 0.000 1.046 501 Y CA -0.213 57.886 58.100 -0.002 0.000 1.198 501 Y CB 0.767 39.208 38.460 -0.032 0.000 1.182 501 Y HN 0.847 nan 8.280 nan 0.000 0.502 502 H N -0.843 118.214 119.070 -0.022 0.000 3.012 502 H HA 0.823 5.419 4.556 0.066 0.000 0.367 502 H C -1.468 173.746 175.328 -0.190 0.000 1.211 502 H CA -1.153 54.796 56.048 -0.164 0.000 1.139 502 H CB 2.190 31.883 29.762 -0.114 0.000 1.838 502 H HN 0.495 nan 8.280 nan 0.000 0.550 503 S N 1.253 116.721 115.700 -0.387 0.000 2.542 503 S HA 0.259 4.769 4.470 0.066 0.000 0.276 503 S C -1.495 172.985 174.600 -0.201 0.000 1.148 503 S CA -0.885 57.129 58.200 -0.310 0.000 0.886 503 S CB 1.150 64.233 63.200 -0.196 0.000 1.109 503 S HN 0.843 nan 8.310 nan 0.000 0.458 504 N N 1.672 120.344 118.700 -0.047 0.000 2.444 504 N HA 0.666 5.446 4.740 0.066 0.000 0.255 504 N C -0.599 174.981 175.510 0.116 0.000 1.255 504 N CA 0.097 53.179 53.050 0.054 0.000 0.933 504 N CB 0.430 38.944 38.487 0.046 0.000 1.143 504 N HN 0.514 nan 8.380 nan 0.000 0.453 505 F N -1.982 117.913 119.950 -0.091 0.000 2.668 505 F HA 0.563 5.119 4.527 0.048 0.000 0.309 505 F C -1.167 174.558 175.800 -0.125 0.000 1.117 505 F CA -1.215 56.719 58.000 -0.110 0.000 0.951 505 F CB 1.458 40.365 39.000 -0.155 0.000 1.323 505 F HN 0.134 nan 8.300 nan 0.000 0.451 506 K N 2.582 122.983 120.400 0.002 0.000 2.463 506 K HA 0.566 4.926 4.320 0.066 0.000 0.255 506 K C -2.980 173.599 176.600 -0.035 0.000 0.942 506 K CA -1.937 54.279 56.287 -0.118 0.000 0.814 506 K CB 1.894 34.407 32.500 0.022 0.000 1.122 506 K HN 0.446 nan 8.250 nan 0.000 0.425 507 P HA -0.034 nan 4.420 nan 0.000 0.268 507 P C 0.514 177.837 177.300 0.039 0.000 1.205 507 P CA -0.371 62.647 63.100 -0.136 0.000 0.771 507 P CB 0.596 32.022 31.700 -0.456 0.000 0.858 508 L N 3.264 124.530 121.223 0.072 0.000 2.127 508 L HA -0.197 4.183 4.340 0.066 0.000 0.211 508 L C 1.670 178.673 176.870 0.222 0.000 1.089 508 L CA 1.990 56.899 54.840 0.116 0.000 0.757 508 L CB -0.845 41.251 42.059 0.061 0.000 0.899 508 L HN 0.300 nan 8.230 nan 0.000 0.434 509 E N -1.595 118.766 120.200 0.268 0.000 2.204 509 E HA -0.221 4.169 4.350 0.066 0.000 0.195 509 E C 1.683 178.627 176.600 0.573 0.000 0.990 509 E CA 1.301 57.954 56.400 0.422 0.000 0.821 509 E CB -0.354 29.547 29.700 0.335 0.000 0.750 509 E HN 0.542 nan 8.360 nan 0.000 0.477 510 W N 0.620 122.009 121.300 0.148 0.000 2.770 510 W HA 0.030 4.723 4.660 0.054 0.000 0.256 510 W C 2.202 178.725 176.519 0.007 0.000 1.291 510 W CA 1.316 58.717 57.345 0.094 0.000 1.396 510 W CB -0.907 28.596 29.460 0.071 0.000 1.114 510 W HN 0.174 nan 8.180 nan 0.000 0.637 511 T N -2.932 111.743 114.554 0.202 0.000 2.668 511 T HA -0.151 4.238 4.350 0.066 0.000 0.262 511 T C 1.818 176.374 174.700 -0.240 0.000 1.045 511 T CA 1.715 63.823 62.100 0.014 0.000 1.152 511 T CB -0.946 67.942 68.868 0.033 0.000 0.864 511 T HN -0.100 nan 8.240 nan 0.000 0.419 512 V N 2.158 121.898 119.914 -0.290 0.000 2.667 512 V HA 0.120 4.279 4.120 0.066 0.000 0.252 512 V C 3.125 178.793 176.094 -0.710 0.000 1.065 512 V CA 1.244 63.180 62.300 -0.606 0.000 1.083 512 V CB -1.234 30.084 31.823 -0.841 0.000 0.692 512 V HN 0.709 nan 8.190 nan 0.000 0.468 513 A N -1.730 120.865 122.820 -0.376 0.000 2.209 513 A HA -0.100 4.260 4.320 0.066 0.000 0.212 513 A C 0.962 178.304 177.584 -0.403 0.000 1.158 513 A CA 0.424 52.318 52.037 -0.239 0.000 0.742 513 A CB -0.536 18.534 19.000 0.116 0.000 0.790 513 A HN 0.732 nan 8.150 nan 0.000 0.472 514 H N -0.950 117.940 119.070 -0.301 0.000 2.826 514 H HA -0.130 4.467 4.556 0.068 0.000 0.306 514 H C 0.249 175.478 175.328 -0.165 0.000 1.235 514 H CA 1.180 57.087 56.048 -0.235 0.000 1.150 514 H CB -1.410 28.153 29.762 -0.330 0.000 1.409 514 H HN 0.663 nan 8.280 nan 0.000 0.420 515 R N 0.519 120.983 120.500 -0.060 0.000 2.541 515 R HA 0.320 4.700 4.340 0.066 0.000 0.254 515 R C 0.440 176.802 176.300 0.104 0.000 1.130 515 R CA -0.879 55.146 56.100 -0.126 0.000 1.152 515 R CB 0.788 30.724 30.300 -0.607 0.000 1.222 515 R HN 0.136 nan 8.270 nan 0.000 0.579 516 E N 1.249 121.551 120.200 0.169 0.000 2.373 516 E HA 0.035 4.425 4.350 0.066 0.000 0.267 516 E C -0.771 176.022 176.600 0.321 0.000 1.032 516 E CA 0.177 56.730 56.400 0.255 0.000 0.889 516 E CB 0.369 30.236 29.700 0.279 0.000 0.984 516 E HN 0.207 nan 8.360 nan 0.000 0.425 517 D N 2.160 122.668 120.400 0.180 0.000 2.329 517 D HA 0.096 4.775 4.640 0.066 0.000 0.246 517 D C 0.186 176.542 176.300 0.092 0.000 1.111 517 D CA -0.294 53.779 54.000 0.122 0.000 0.941 517 D CB 0.445 41.295 40.800 0.082 0.000 1.169 517 D HN 0.345 nan 8.370 nan 0.000 0.441 518 N N -0.210 118.513 118.700 0.038 0.000 2.696 518 N HA -0.160 4.620 4.740 0.066 0.000 0.249 518 N C 0.610 176.137 175.510 0.029 0.000 1.090 518 N CA 0.340 53.403 53.050 0.022 0.000 0.716 518 N CB -1.109 37.396 38.487 0.031 0.000 1.020 518 N HN 0.184 nan 8.380 nan 0.000 0.548 519 V N -1.119 118.811 119.914 0.028 0.000 2.806 519 V HA 0.065 4.224 4.120 0.066 0.000 0.239 519 V C 1.282 177.344 176.094 -0.054 0.000 1.113 519 V CA 0.543 62.888 62.300 0.074 0.000 1.137 519 V CB 0.486 32.473 31.823 0.273 0.000 0.865 519 V HN 0.409 nan 8.190 nan 0.000 0.482 520 C N 1.585 120.691 119.300 -0.322 0.000 2.648 520 C HA 0.354 4.854 4.460 0.066 0.000 0.419 520 C C -0.112 174.544 174.990 -0.557 0.000 1.352 520 C CA -0.064 58.524 59.018 -0.717 0.000 1.816 520 C CB -1.526 25.240 27.740 -1.624 0.000 2.598 520 C HN 0.527 nan 8.230 nan 0.000 0.598 521 Y N 4.458 124.594 120.300 -0.274 0.000 2.504 521 Y HA 0.743 5.332 4.550 0.065 0.000 0.344 521 Y C -0.493 175.528 175.900 0.202 0.000 1.023 521 Y CA -1.142 56.966 58.100 0.013 0.000 1.020 521 Y CB 1.169 39.621 38.460 -0.013 0.000 1.282 521 Y HN 0.784 nan 8.280 nan 0.000 0.454 522 M N 4.763 124.087 119.600 -0.460 0.000 2.484 522 M HA 0.696 5.216 4.480 0.066 0.000 0.289 522 M C -2.210 173.779 176.300 -0.518 0.000 1.206 522 M CA -0.836 54.233 55.300 -0.385 0.000 0.892 522 M CB 2.985 35.199 32.600 -0.643 0.000 1.712 522 M HN 0.583 nan 8.290 nan 0.000 0.462 523 K N 2.188 122.533 120.400 -0.092 0.000 2.527 523 K HA 0.770 5.130 4.320 0.066 0.000 0.260 523 K C -2.068 174.649 176.600 0.194 0.000 0.937 523 K CA -0.916 55.394 56.287 0.039 0.000 0.826 523 K CB 2.415 34.973 32.500 0.096 0.000 1.359 523 K HN 0.868 nan 8.250 nan 0.000 0.434 524 L N 2.600 123.900 121.223 0.129 0.000 2.319 524 L HA 0.381 4.760 4.340 0.066 0.000 0.281 524 L C -0.776 176.148 176.870 0.090 0.000 1.005 524 L CA -1.351 53.518 54.840 0.048 0.000 0.828 524 L CB 1.974 43.947 42.059 -0.143 0.000 1.227 524 L HN 0.446 nan 8.230 nan 0.000 0.415 525 V N 2.554 122.527 119.914 0.097 0.000 2.408 525 V HA 0.228 4.388 4.120 0.066 0.000 0.267 525 V C 0.100 176.224 176.094 0.051 0.000 1.047 525 V CA -0.266 62.084 62.300 0.084 0.000 0.937 525 V CB 0.846 32.745 31.823 0.127 0.000 0.999 525 V HN 0.800 nan 8.190 nan 0.000 0.472 526 C N 5.010 124.340 119.300 0.049 0.000 2.614 526 C HA 0.602 5.102 4.460 0.066 0.000 0.320 526 C C 0.383 175.371 174.990 -0.002 0.000 1.200 526 C CA -1.037 58.002 59.018 0.035 0.000 1.700 526 C CB 1.744 29.551 27.740 0.111 0.000 2.275 526 C HN 0.891 nan 8.230 nan 0.000 0.492 527 R N 1.550 122.019 120.500 -0.051 0.000 2.229 527 R HA 0.223 4.603 4.340 0.066 0.000 0.332 527 R C 0.927 177.184 176.300 -0.072 0.000 0.989 527 R CA -0.281 55.749 56.100 -0.117 0.000 0.842 527 R CB 0.552 30.683 30.300 -0.283 0.000 1.119 527 R HN 0.769 nan 8.270 nan 0.000 0.456 528 K N 0.798 121.170 120.400 -0.047 0.000 2.057 528 K HA -0.139 4.221 4.320 0.066 0.000 0.207 528 K C 1.740 178.324 176.600 -0.027 0.000 1.049 528 K CA 2.081 58.357 56.287 -0.019 0.000 0.931 528 K CB 0.086 32.578 32.500 -0.014 0.000 0.714 528 K HN 0.612 nan 8.250 nan 0.000 0.440 529 S N 0.519 116.190 115.700 -0.049 0.000 2.453 529 S HA -0.104 4.406 4.470 0.066 0.000 0.231 529 S C 0.922 175.492 174.600 -0.049 0.000 1.005 529 S CA 0.883 59.058 58.200 -0.041 0.000 0.949 529 S CB 0.060 63.237 63.200 -0.039 0.000 0.774 529 S HN 0.117 nan 8.310 nan 0.000 0.510 530 D N 1.984 122.338 120.400 -0.076 0.000 3.139 530 D HA 0.250 4.930 4.640 0.066 0.000 0.268 530 D C 0.154 176.430 176.300 -0.041 0.000 1.322 530 D CA -0.367 53.591 54.000 -0.069 0.000 0.940 530 D CB -1.161 39.570 40.800 -0.115 0.000 1.050 530 D HN 0.144 nan 8.370 nan 0.000 0.503 531 N N 1.866 120.553 118.700 -0.021 0.000 2.710 531 N HA -0.296 4.483 4.740 0.066 0.000 0.249 531 N C -0.093 175.418 175.510 0.002 0.000 1.059 531 N CA 0.635 53.682 53.050 -0.005 0.000 0.720 531 N CB -1.078 37.408 38.487 -0.003 0.000 0.983 531 N HN 0.494 nan 8.380 nan 0.000 0.544 532 M N -1.959 117.643 119.600 0.003 0.000 2.298 532 M HA -0.260 4.260 4.480 0.066 0.000 0.196 532 M C -0.112 176.189 176.300 0.001 0.000 0.531 532 M CA 0.786 56.100 55.300 0.023 0.000 0.459 532 M CB -0.652 31.984 32.600 0.059 0.000 1.279 532 M HN 0.374 nan 8.290 nan 0.000 0.915 533 R N -0.050 120.436 120.500 -0.023 0.000 2.449 533 R HA 0.442 4.822 4.340 0.066 0.000 0.296 533 R C -0.620 175.662 176.300 -0.029 0.000 1.047 533 R CA -0.033 56.052 56.100 -0.025 0.000 1.018 533 R CB 0.600 30.871 30.300 -0.048 0.000 0.962 533 R HN 0.262 nan 8.270 nan 0.000 0.428 534 V N 8.259 128.158 119.914 -0.025 0.000 2.390 534 V HA -0.023 4.136 4.120 0.066 0.000 0.260 534 V C 1.373 177.454 176.094 -0.020 0.000 1.043 534 V CA 0.325 62.590 62.300 -0.058 0.000 1.047 534 V CB 0.073 31.827 31.823 -0.115 0.000 1.066 534 V HN 0.799 nan 8.190 nan 0.000 0.481 535 L N 3.866 125.087 121.223 -0.004 0.000 2.209 535 L HA 0.329 4.709 4.340 0.066 0.000 0.207 535 L C 1.220 178.114 176.870 0.040 0.000 1.094 535 L CA 0.988 55.849 54.840 0.034 0.000 0.790 535 L CB -0.000 42.102 42.059 0.073 0.000 0.932 535 L HN 0.745 nan 8.230 nan 0.000 0.447 536 G N -0.013 108.807 108.800 0.033 0.000 2.740 536 G HA2 0.526 4.526 3.960 0.066 0.000 0.296 536 G HA3 0.526 4.526 3.960 0.066 0.000 0.296 536 G C -1.995 172.871 174.900 -0.056 0.000 1.439 536 G CA -0.341 44.766 45.100 0.012 0.000 1.066 536 G HN -0.103 nan 8.290 nan 0.000 0.527 537 L N 2.525 123.594 121.223 -0.256 0.000 2.322 537 L HA 0.733 5.113 4.340 0.066 0.000 0.281 537 L C -0.872 175.775 176.870 -0.373 0.000 1.014 537 L CA -0.814 53.880 54.840 -0.243 0.000 0.815 537 L CB 1.284 43.141 42.059 -0.336 0.000 1.247 537 L HN 0.557 nan 8.230 nan 0.000 0.421 538 H N 4.390 123.584 119.070 0.205 0.000 2.759 538 H HA 0.527 5.122 4.556 0.066 0.000 0.354 538 H C -1.411 174.159 175.328 0.403 0.000 1.074 538 H CA -0.599 55.651 56.048 0.335 0.000 1.226 538 H CB 2.467 32.466 29.762 0.395 0.000 1.648 538 H HN 0.433 nan 8.280 nan 0.000 0.529 539 V N 5.025 125.249 119.914 0.516 0.000 2.668 539 V HA 0.305 4.465 4.120 0.066 0.000 0.304 539 V C -1.480 174.880 176.094 0.442 0.000 1.071 539 V CA -0.712 61.847 62.300 0.431 0.000 0.894 539 V CB 2.267 34.346 31.823 0.428 0.000 1.008 539 V HN 0.523 nan 8.190 nan 0.000 0.425 540 L N 7.216 128.668 121.223 0.381 0.000 2.287 540 L HA 1.060 5.440 4.340 0.066 0.000 0.287 540 L C 0.104 177.060 176.870 0.143 0.000 1.022 540 L CA 1.185 56.174 54.840 0.250 0.000 0.814 540 L CB 1.162 43.316 42.059 0.157 0.000 1.217 540 L HN 1.046 nan 8.230 nan 0.000 0.420 541 G N 4.250 113.109 108.800 0.098 0.000 2.320 541 G HA2 0.258 4.258 3.960 0.066 0.000 0.297 541 G HA3 0.258 4.258 3.960 0.066 0.000 0.297 541 G C -3.395 171.555 174.900 0.083 0.000 1.344 541 G CA -0.759 44.355 45.100 0.024 0.000 0.851 541 G HN 0.429 nan 8.290 nan 0.000 0.567 542 P HA 0.186 nan 4.420 nan 0.000 0.271 542 P C -0.162 177.227 177.300 0.148 0.000 1.216 542 P CA 0.144 63.336 63.100 0.154 0.000 0.776 542 P CB 0.445 32.253 31.700 0.181 0.000 0.881 543 N N 0.230 119.034 118.700 0.174 0.000 2.735 543 N HA -0.218 4.562 4.740 0.066 0.000 0.248 543 N C 1.068 176.655 175.510 0.129 0.000 1.083 543 N CA 1.037 54.181 53.050 0.157 0.000 0.703 543 N CB -1.790 36.768 38.487 0.118 0.000 1.005 543 N HN 0.600 nan 8.380 nan 0.000 0.550 544 A N -0.003 122.884 122.820 0.110 0.000 1.972 544 A HA 0.043 4.403 4.320 0.066 0.000 0.219 544 A C 2.288 179.886 177.584 0.023 0.000 1.169 544 A CA 2.069 54.149 52.037 0.072 0.000 0.635 544 A CB -0.634 18.385 19.000 0.031 0.000 0.810 544 A HN 0.522 nan 8.150 nan 0.000 0.446 545 G N -0.437 108.365 108.800 0.005 0.000 2.408 545 G HA2 -0.149 3.851 3.960 0.066 0.000 0.217 545 G HA3 -0.149 3.851 3.960 0.066 0.000 0.217 545 G C 1.354 176.289 174.900 0.059 0.000 1.150 545 G CA 0.879 45.990 45.100 0.018 0.000 0.776 545 G HN 0.520 nan 8.290 nan 0.000 0.542 546 E N 0.454 120.703 120.200 0.082 0.000 2.152 546 E HA -0.004 4.386 4.350 0.066 0.000 0.192 546 E C 2.550 179.172 176.600 0.038 0.000 0.983 546 E CA 0.304 56.736 56.400 0.053 0.000 0.818 546 E CB -0.094 29.640 29.700 0.057 0.000 0.758 546 E HN 0.512 nan 8.360 nan 0.000 0.467 547 I N 1.182 121.801 120.570 0.081 0.000 2.163 547 I HA -0.222 3.988 4.170 0.066 0.000 0.240 547 I C 2.331 178.558 176.117 0.183 0.000 1.081 547 I CA 1.408 62.795 61.300 0.145 0.000 1.353 547 I CB -0.433 37.697 38.000 0.218 0.000 1.054 547 I HN 0.032 nan 8.210 nan 0.000 0.407 548 T N -0.351 114.289 114.554 0.142 0.000 2.821 548 T HA -0.238 4.152 4.350 0.066 0.000 0.267 548 T C 1.745 176.483 174.700 0.063 0.000 1.046 548 T CA 1.359 63.535 62.100 0.125 0.000 1.139 548 T CB -0.287 68.586 68.868 0.008 0.000 0.871 548 T HN 0.241 nan 8.240 nan 0.000 0.454 549 Q N 1.499 121.299 119.800 -0.001 0.000 2.062 549 Q HA -0.113 4.267 4.340 0.066 0.000 0.209 549 Q C 2.431 178.379 176.000 -0.087 0.000 0.996 549 Q CA 2.366 58.146 55.803 -0.039 0.000 0.859 549 Q CB -1.137 27.580 28.738 -0.035 0.000 0.920 549 Q HN 0.516 nan 8.270 nan 0.000 0.415 550 G N -1.492 107.201 108.800 -0.179 0.000 2.432 550 G HA2 -0.252 3.748 3.960 0.066 0.000 0.219 550 G HA3 -0.252 3.748 3.960 0.066 0.000 0.219 550 G C 0.877 175.589 174.900 -0.315 0.000 1.135 550 G CA 0.969 45.896 45.100 -0.288 0.000 0.767 550 G HN 0.465 nan 8.290 nan 0.000 0.550 551 Y N 1.052 121.260 120.300 -0.153 0.000 2.373 551 Y HA 0.188 4.773 4.550 0.059 0.000 0.293 551 Y C 2.979 178.812 175.900 -0.113 0.000 1.129 551 Y CA 0.268 58.264 58.100 -0.174 0.000 1.226 551 Y CB -0.340 37.994 38.460 -0.210 0.000 1.000 551 Y HN 0.250 nan 8.280 nan 0.000 0.549 552 A N -0.339 122.499 122.820 0.031 0.000 2.019 552 A HA -0.118 4.241 4.320 0.066 0.000 0.219 552 A C 2.305 179.879 177.584 -0.018 0.000 1.164 552 A CA 1.784 53.819 52.037 -0.002 0.000 0.644 552 A CB -1.033 17.952 19.000 -0.025 0.000 0.805 552 A HN 0.258 nan 8.150 nan 0.000 0.449 553 V N -0.360 119.528 119.914 -0.042 0.000 2.379 553 V HA -0.185 3.975 4.120 0.066 0.000 0.245 553 V C 2.992 179.062 176.094 -0.040 0.000 1.044 553 V CA 1.758 64.029 62.300 -0.049 0.000 1.036 553 V CB -1.234 30.545 31.823 -0.073 0.000 0.664 553 V HN 0.585 nan 8.190 nan 0.000 0.453 554 A N 0.147 122.940 122.820 -0.045 0.000 1.898 554 A HA -0.123 4.237 4.320 0.066 0.000 0.216 554 A C 2.175 179.774 177.584 0.024 0.000 1.181 554 A CA 1.735 53.753 52.037 -0.033 0.000 0.620 554 A CB -0.532 18.418 19.000 -0.083 0.000 0.819 554 A HN 0.495 nan 8.150 nan 0.000 0.442 555 I N -0.613 119.989 120.570 0.053 0.000 2.286 555 I HA -0.222 3.987 4.170 0.066 0.000 0.248 555 I C 2.433 178.566 176.117 0.026 0.000 1.115 555 I CA 1.658 62.992 61.300 0.057 0.000 1.392 555 I CB -0.129 37.899 38.000 0.047 0.000 1.065 555 I HN 0.223 nan 8.210 nan 0.000 0.418 556 K N 1.439 121.845 120.400 0.010 0.000 2.097 556 K HA -0.095 4.265 4.320 0.066 0.000 0.206 556 K C 1.866 178.468 176.600 0.003 0.000 1.049 556 K CA 1.724 58.013 56.287 0.002 0.000 0.933 556 K CB -0.185 32.309 32.500 -0.009 0.000 0.717 556 K HN 0.229 nan 8.250 nan 0.000 0.442 557 M N -0.747 118.853 119.600 0.001 0.000 2.618 557 M HA 0.155 4.675 4.480 0.066 0.000 0.240 557 M C 0.342 176.647 176.300 0.008 0.000 1.123 557 M CA 0.678 55.977 55.300 -0.001 0.000 1.060 557 M CB 0.417 33.009 32.600 -0.012 0.000 1.535 557 M HN 0.337 nan 8.290 nan 0.000 0.507 558 G N 1.767 110.578 108.800 0.019 0.000 2.545 558 G HA2 -0.067 3.933 3.960 0.066 0.000 0.279 558 G HA3 -0.067 3.933 3.960 0.066 0.000 0.279 558 G C -0.150 174.774 174.900 0.039 0.000 1.131 558 G CA -0.109 45.006 45.100 0.024 0.000 1.100 558 G HN 0.659 nan 8.290 nan 0.000 0.525 559 A N 0.790 123.653 122.820 0.072 0.000 2.440 559 A HA 0.834 5.194 4.320 0.066 0.000 0.251 559 A C 1.066 178.730 177.584 0.134 0.000 1.089 559 A CA 0.992 53.107 52.037 0.129 0.000 0.779 559 A CB 0.412 19.556 19.000 0.241 0.000 1.022 559 A HN 1.988 nan 8.150 nan 0.000 0.492 560 T N -0.450 114.183 114.554 0.131 0.000 2.937 560 T HA 0.459 4.849 4.350 0.066 0.000 0.283 560 T C 0.932 175.704 174.700 0.120 0.000 1.012 560 T CA -0.491 61.658 62.100 0.083 0.000 0.997 560 T CB 1.157 70.051 68.868 0.044 0.000 1.136 560 T HN 0.465 nan 8.240 nan 0.000 0.551 561 K N 0.607 121.004 120.400 -0.004 0.000 2.147 561 K HA 0.121 4.480 4.320 0.066 0.000 0.205 561 K C 2.280 178.880 176.600 -0.000 0.000 1.049 561 K CA 1.666 57.891 56.287 -0.103 0.000 0.936 561 K CB -1.135 31.204 32.500 -0.269 0.000 0.722 561 K HN 0.719 nan 8.250 nan 0.000 0.446 562 A N 0.862 123.693 122.820 0.018 0.000 1.972 562 A HA -0.154 4.206 4.320 0.066 0.000 0.219 562 A C 1.678 179.298 177.584 0.059 0.000 1.169 562 A CA 1.897 53.950 52.037 0.027 0.000 0.635 562 A CB -0.535 18.475 19.000 0.017 0.000 0.810 562 A HN 0.396 nan 8.150 nan 0.000 0.446 563 D N -0.931 119.526 120.400 0.095 0.000 2.144 563 D HA -0.095 4.585 4.640 0.066 0.000 0.200 563 D C 1.550 177.881 176.300 0.052 0.000 0.978 563 D CA 1.010 55.049 54.000 0.064 0.000 0.833 563 D CB -0.333 40.502 40.800 0.058 0.000 0.961 563 D HN 0.548 nan 8.370 nan 0.000 0.470 564 F N 1.334 121.269 119.950 -0.025 0.000 2.234 564 F HA -0.117 4.448 4.527 0.063 0.000 0.299 564 F C 2.128 177.923 175.800 -0.009 0.000 1.087 564 F CA 0.734 58.730 58.000 -0.007 0.000 1.340 564 F CB 0.143 39.120 39.000 -0.039 0.000 1.031 564 F HN -0.179 nan 8.300 nan 0.000 0.500 565 D N -0.141 120.345 120.400 0.143 0.000 2.149 565 D HA -0.108 4.572 4.640 0.066 0.000 0.201 565 D C 2.197 178.519 176.300 0.036 0.000 0.972 565 D CA 0.936 54.975 54.000 0.064 0.000 0.835 565 D CB -0.363 40.449 40.800 0.020 0.000 0.966 565 D HN 0.339 nan 8.370 nan 0.000 0.476 566 R N 0.356 120.870 120.500 0.023 0.000 2.276 566 R HA 0.057 4.437 4.340 0.066 0.000 0.203 566 R C 0.146 176.441 176.300 -0.008 0.000 1.017 566 R CA 0.501 56.604 56.100 0.004 0.000 1.010 566 R CB -0.556 29.742 30.300 -0.002 0.000 0.900 566 R HN -0.118 nan 8.270 nan 0.000 0.469 567 T N 3.228 117.774 114.554 -0.014 0.000 2.794 567 T HA 0.267 4.656 4.350 0.066 0.000 0.296 567 T C 0.283 174.978 174.700 -0.008 0.000 0.949 567 T CA -0.454 61.626 62.100 -0.033 0.000 1.101 567 T CB 1.055 69.874 68.868 -0.082 0.000 0.905 567 T HN 0.032 nan 8.240 nan 0.000 0.516 568 I N 3.112 123.674 120.570 -0.013 0.000 2.529 568 I HA 0.275 4.485 4.170 0.066 0.000 0.284 568 I C 1.338 177.459 176.117 0.007 0.000 1.082 568 I CA -0.388 60.912 61.300 -0.001 0.000 1.406 568 I CB 0.101 38.097 38.000 -0.007 0.000 1.405 568 I HN 0.661 nan 8.210 nan 0.000 0.548 569 G N 6.238 115.054 108.800 0.027 0.000 2.599 569 G HA2 0.535 4.535 3.960 0.066 0.000 0.264 569 G HA3 0.535 4.535 3.960 0.066 0.000 0.264 569 G C -0.268 174.658 174.900 0.044 0.000 1.200 569 G CA -0.599 44.528 45.100 0.045 0.000 0.896 569 G HN 0.551 nan 8.290 nan 0.000 0.536 570 I N 0.492 121.091 120.570 0.049 0.000 2.362 570 I HA 0.255 4.465 4.170 0.066 0.000 0.289 570 I C -0.200 175.971 176.117 0.089 0.000 0.994 570 I CA -0.631 60.699 61.300 0.050 0.000 1.158 570 I CB 1.603 39.610 38.000 0.012 0.000 1.315 570 I HN 0.448 nan 8.210 nan 0.000 0.451 571 H N 7.498 126.569 119.070 0.001 0.000 2.495 571 H HA 0.528 5.129 4.556 0.076 0.000 0.348 571 H C -2.479 172.856 175.328 0.011 0.000 1.113 571 H CA -1.775 54.277 56.048 0.006 0.000 1.195 571 H CB 2.397 32.163 29.762 0.007 0.000 1.521 571 H HN 0.385 nan 8.280 nan 0.000 0.509 572 P HA 0.230 nan 4.420 nan 0.000 0.297 572 P C -1.015 176.136 177.300 -0.247 0.000 1.342 572 P CA -0.497 62.170 63.100 -0.721 0.000 0.801 572 P CB 1.265 32.510 31.700 -0.758 0.000 0.920 573 T N -1.296 113.173 114.554 -0.142 0.000 2.887 573 T HA 0.291 4.681 4.350 0.066 0.000 0.292 573 T C 0.756 175.409 174.700 -0.078 0.000 1.087 573 T CA -0.518 61.540 62.100 -0.071 0.000 1.009 573 T CB 0.821 69.669 68.868 -0.034 0.000 1.203 573 T HN 0.307 nan 8.240 nan 0.000 0.518 574 C N 0.393 119.642 119.300 -0.085 0.000 2.485 574 C HA 0.154 4.653 4.460 0.066 0.000 0.277 574 C C 3.003 177.776 174.990 -0.360 0.000 1.376 574 C CA 0.805 59.688 59.018 -0.226 0.000 1.759 574 C CB -1.044 26.647 27.740 -0.082 0.000 1.970 574 C HN 0.990 nan 8.230 nan 0.000 0.509 575 S N 1.053 116.693 115.700 -0.099 0.000 2.489 575 S HA -0.111 4.399 4.470 0.066 0.000 0.228 575 S C 1.907 176.596 174.600 0.149 0.000 0.995 575 S CA 1.152 59.411 58.200 0.099 0.000 0.934 575 S CB -0.349 62.969 63.200 0.196 0.000 0.771 575 S HN 0.844 nan 8.310 nan 0.000 0.522 576 E N -0.040 120.177 120.200 0.028 0.000 2.347 576 E HA -0.073 4.317 4.350 0.066 0.000 0.196 576 E C 1.298 177.912 176.600 0.023 0.000 1.008 576 E CA 1.331 57.769 56.400 0.062 0.000 0.852 576 E CB -0.607 29.128 29.700 0.058 0.000 0.783 576 E HN 0.398 nan 8.360 nan 0.000 0.505 577 T N 0.490 114.965 114.554 -0.132 0.000 2.962 577 T HA -0.061 4.329 4.350 0.066 0.000 0.270 577 T C 1.054 175.648 174.700 -0.176 0.000 1.088 577 T CA 0.683 62.655 62.100 -0.212 0.000 1.127 577 T CB -0.277 68.321 68.868 -0.450 0.000 0.883 577 T HN 0.153 nan 8.240 nan 0.000 0.493 578 F N 2.253 122.163 119.950 -0.068 0.000 2.269 578 F HA -0.071 4.488 4.527 0.053 0.000 0.301 578 F C 2.801 178.683 175.800 0.136 0.000 1.082 578 F CA 1.123 59.118 58.000 -0.008 0.000 1.360 578 F CB -0.914 38.055 39.000 -0.051 0.000 1.041 578 F HN 0.265 nan 8.300 nan 0.000 0.512 579 T N -4.422 110.304 114.554 0.286 0.000 3.043 579 T HA -0.051 4.339 4.350 0.066 0.000 0.263 579 T C 1.399 176.177 174.700 0.130 0.000 1.094 579 T CA 1.216 63.446 62.100 0.216 0.000 1.127 579 T CB -0.703 68.250 68.868 0.141 0.000 0.905 579 T HN 0.230 nan 8.240 nan 0.000 0.490 580 T N 0.236 114.848 114.554 0.097 0.000 3.266 580 T HA 0.509 4.899 4.350 0.066 0.000 0.278 580 T C 0.212 174.996 174.700 0.140 0.000 1.010 580 T CA -0.660 61.490 62.100 0.084 0.000 0.909 580 T CB -0.630 68.274 68.868 0.060 0.000 1.122 580 T HN 0.294 nan 8.240 nan 0.000 0.536 581 L N 3.380 124.659 121.223 0.093 0.000 2.410 581 L HA 0.349 4.728 4.340 0.066 0.000 0.273 581 L C 1.722 178.690 176.870 0.163 0.000 1.152 581 L CA -0.245 54.645 54.840 0.083 0.000 0.855 581 L CB 0.398 42.462 42.059 0.008 0.000 1.129 581 L HN 0.529 nan 8.230 nan 0.000 0.463 582 H N 0.754 119.897 119.070 0.122 0.000 3.678 582 H HA 0.164 4.759 4.556 0.065 0.000 0.246 582 H C 0.089 175.569 175.328 0.254 0.000 1.016 582 H CA -0.149 56.010 56.048 0.185 0.000 1.104 582 H CB 0.067 29.885 29.762 0.092 0.000 1.449 582 H HN 0.290 nan 8.280 nan 0.000 0.606 583 V N 4.882 124.601 119.914 -0.325 0.000 2.439 583 V HA 0.177 4.337 4.120 0.066 0.000 0.271 583 V C 0.883 177.022 176.094 0.075 0.000 1.040 583 V CA 0.493 62.704 62.300 -0.148 0.000 1.002 583 V CB 0.714 32.373 31.823 -0.273 0.000 1.000 583 V HN 0.633 nan 8.190 nan 0.000 0.477 584 T N 2.087 116.631 114.554 -0.016 0.000 2.918 584 T HA 0.367 4.757 4.350 0.066 0.000 0.283 584 T C 0.852 175.493 174.700 -0.100 0.000 1.001 584 T CA -0.796 61.194 62.100 -0.184 0.000 1.041 584 T CB 1.556 70.235 68.868 -0.314 0.000 1.028 584 T HN 0.549 nan 8.240 nan 0.000 0.511 585 K N 0.112 120.354 120.400 -0.264 0.000 2.217 585 K HA 0.020 4.379 4.320 0.066 0.000 0.202 585 K C 2.108 178.632 176.600 -0.126 0.000 1.051 585 K CA 0.528 56.658 56.287 -0.262 0.000 0.952 585 K CB 0.048 32.325 32.500 -0.372 0.000 0.736 585 K HN 0.418 nan 8.250 nan 0.000 0.453 586 K N 0.615 120.938 120.400 -0.128 0.000 2.288 586 K HA -0.044 4.316 4.320 0.066 0.000 0.201 586 K C 2.089 178.660 176.600 -0.049 0.000 1.048 586 K CA 1.153 57.390 56.287 -0.083 0.000 0.956 586 K CB 0.070 32.516 32.500 -0.091 0.000 0.746 586 K HN 0.158 nan 8.250 nan 0.000 0.461 587 S N -0.646 115.030 115.700 -0.040 0.000 2.428 587 S HA -0.014 4.495 4.470 0.066 0.000 0.230 587 S C 1.611 176.215 174.600 0.006 0.000 1.014 587 S CA 1.053 59.247 58.200 -0.010 0.000 0.957 587 S CB -0.181 63.021 63.200 0.004 0.000 0.784 587 S HN 0.378 nan 8.310 nan 0.000 0.499 588 G N 0.392 109.200 108.800 0.014 0.000 2.179 588 G HA2 -0.242 3.758 3.960 0.066 0.000 0.260 588 G HA3 -0.242 3.758 3.960 0.066 0.000 0.260 588 G C 0.074 175.000 174.900 0.043 0.000 0.977 588 G CA 0.054 45.169 45.100 0.026 0.000 0.641 588 G HN 0.747 nan 8.290 nan 0.000 0.533 589 V N 1.307 121.252 119.914 0.051 0.000 2.572 589 V HA 0.490 4.650 4.120 0.066 0.000 0.291 589 V C 1.357 177.480 176.094 0.048 0.000 1.039 589 V CA 0.542 62.868 62.300 0.044 0.000 1.055 589 V CB 1.539 33.384 31.823 0.038 0.000 0.969 589 V HN 0.521 nan 8.190 nan 0.000 0.482 590 S N 6.454 122.168 115.700 0.023 0.000 2.533 590 S HA 0.164 4.674 4.470 0.066 0.000 0.282 590 S C -0.830 173.733 174.600 -0.063 0.000 1.304 590 S CA -0.917 57.285 58.200 0.004 0.000 1.063 590 S CB 0.715 63.920 63.200 0.007 0.000 0.881 590 S HN 0.759 nan 8.310 nan 0.000 0.493 591 P HA 0.085 nan 4.420 nan 0.000 0.245 591 P C 0.498 177.723 177.300 -0.125 0.000 1.212 591 P CA 0.066 62.987 63.100 -0.298 0.000 0.774 591 P CB -0.534 30.853 31.700 -0.522 0.000 0.999 592 I N -2.432 118.108 120.570 -0.049 0.000 2.892 592 I HA 0.130 4.340 4.170 0.066 0.000 0.287 592 I C 0.545 176.663 176.117 0.001 0.000 1.205 592 I CA -0.652 60.643 61.300 -0.009 0.000 1.409 592 I CB 0.207 38.211 38.000 0.006 0.000 1.367 592 I HN -0.357 nan 8.210 nan 0.000 0.597 593 V N 0.000 119.925 119.914 0.019 0.000 2.409 593 V HA 0.000 4.160 4.120 0.066 0.000 0.244 593 V CA 0.000 62.321 62.300 0.035 0.000 1.235 593 V CB 0.000 31.851 31.823 0.047 0.000 1.184 593 V HN 0.000 nan 8.190 nan 0.000 0.556