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 2e82_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MRVVVIGAGV IGLSTALCIH ERYHSVLQPL DIKVYADRFT PLTTTDVAAG DATA SEQUENCE LWQPYLSDPN NPQEADWSQQ TFDYLLSHVH SPNAENLGLF LISGYNLFHE DATA SEQUENCE AIPDPSWKDT VLGFRKLTPR ELDMFPDYGY GWFHTSLILE GKNYLQWLTE DATA SEQUENCE RLTERGVKFF QRKVESFEEV AREGADVIVN CTGVWAGALQ RDPLLQPGRG DATA SEQUENCE QIMKVDAPWM KHFILTHDPE RGIYNSPYII PGTQTVTLGG IFQLGNWSEL DATA SEQUENCE NNIQDHNTIW EGCCRLEPTL KNARIIGERT GFRPVRPQIR LEREQLRTGP DATA SEQUENCE SNTEVIHNYG HGGYGLTIHW GCALEAAKLF GRILEEKKLS 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.328 176.300 0.047 0.000 1.140 1001 M CA 0.000 55.322 55.300 0.036 0.000 0.988 1001 M CB 0.000 32.630 32.600 0.050 0.000 1.302 1002 R N 3.390 123.906 120.500 0.027 0.000 2.196 1002 R HA 0.630 4.969 4.340 -0.002 0.000 0.340 1002 R C -1.089 175.206 176.300 -0.008 0.000 1.043 1002 R CA -0.595 55.509 56.100 0.007 0.000 0.883 1002 R CB 1.383 31.677 30.300 -0.010 0.000 1.078 1002 R HN 0.495 nan 8.270 nan 0.000 0.462 1003 V N 3.962 123.858 119.914 -0.030 0.000 2.532 1003 V HA 0.396 4.515 4.120 -0.002 0.000 0.295 1003 V C -0.030 175.975 176.094 -0.147 0.000 1.041 1003 V CA -0.730 61.518 62.300 -0.087 0.000 0.926 1003 V CB 2.074 33.800 31.823 -0.161 0.000 0.992 1003 V HN 0.403 nan 8.190 nan 0.000 0.457 1004 V N 4.730 124.531 119.914 -0.188 0.000 2.482 1004 V HA 0.397 4.516 4.120 -0.002 0.000 0.295 1004 V C -0.438 175.521 176.094 -0.225 0.000 1.026 1004 V CA -0.546 61.577 62.300 -0.294 0.000 0.856 1004 V CB 2.037 33.607 31.823 -0.421 0.000 1.001 1004 V HN 0.610 nan 8.190 nan 0.000 0.424 1005 V N 6.459 126.250 119.914 -0.206 0.000 2.370 1005 V HA 0.496 4.615 4.120 -0.002 0.000 0.279 1005 V C -0.046 176.000 176.094 -0.082 0.000 1.029 1005 V CA -0.374 61.846 62.300 -0.133 0.000 0.870 1005 V CB 1.587 33.327 31.823 -0.139 0.000 0.984 1005 V HN 0.680 nan 8.190 nan 0.000 0.451 1006 I N 4.390 124.948 120.570 -0.021 0.000 2.321 1006 I HA 0.760 4.929 4.170 -0.002 0.000 0.291 1006 I C 0.657 176.786 176.117 0.019 0.000 0.998 1006 I CA -0.081 61.235 61.300 0.028 0.000 1.227 1006 I CB 1.368 39.405 38.000 0.063 0.000 1.368 1006 I HN 0.854 nan 8.210 nan 0.000 0.466 1007 G N 4.304 113.089 108.800 -0.026 0.000 3.313 1007 G HA2 0.191 4.150 3.960 -0.002 0.000 0.659 1007 G HA3 0.191 4.150 3.960 -0.002 0.000 0.659 1007 G C -0.419 174.436 174.900 -0.074 0.000 1.286 1007 G CA -0.341 44.739 45.100 -0.033 0.000 1.077 1007 G HN 0.886 nan 8.290 nan 0.000 0.551 1008 A N 1.472 124.204 122.820 -0.146 0.000 2.708 1008 A HA 0.769 5.088 4.320 -0.002 0.000 0.293 1008 A C 1.373 178.964 177.584 0.011 0.000 1.303 1008 A CA 1.067 53.059 52.037 -0.075 0.000 0.949 1008 A CB -0.130 18.746 19.000 -0.206 0.000 1.121 1008 A HN 2.019 nan 8.150 nan 0.000 0.542 1009 G N -1.481 107.335 108.800 0.027 0.000 2.563 1009 G HA2 0.354 4.313 3.960 -0.002 0.000 0.283 1009 G HA3 0.354 4.313 3.960 -0.002 0.000 0.283 1009 G C 1.177 176.111 174.900 0.057 0.000 1.309 1009 G CA 0.312 45.450 45.100 0.064 0.000 1.022 1009 G HN 0.444 nan 8.290 nan 0.000 0.501 1010 V N 0.205 120.153 119.914 0.057 0.000 2.231 1010 V HA -0.201 3.918 4.120 -0.002 0.000 0.248 1010 V C 2.763 178.897 176.094 0.067 0.000 1.054 1010 V CA 2.033 64.368 62.300 0.059 0.000 1.015 1010 V CB -0.608 31.245 31.823 0.051 0.000 0.638 1010 V HN 0.546 nan 8.190 nan 0.000 0.444 1011 I N 1.128 121.711 120.570 0.022 0.000 2.087 1011 I HA -0.229 3.940 4.170 -0.002 0.000 0.240 1011 I C 2.755 178.894 176.117 0.037 0.000 1.054 1011 I CA 2.136 63.438 61.300 0.002 0.000 1.311 1011 I CB -2.391 35.585 38.000 -0.039 0.000 1.024 1011 I HN 0.450 nan 8.210 nan 0.000 0.402 1012 G N 1.372 110.196 108.800 0.040 0.000 2.586 1012 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.218 1012 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.218 1012 G C 1.791 176.690 174.900 -0.002 0.000 1.216 1012 G CA 0.940 46.048 45.100 0.013 0.000 0.786 1012 G HN 0.356 nan 8.290 nan 0.000 0.583 1013 L N 1.329 122.564 121.223 0.020 0.000 2.046 1013 L HA -0.129 4.210 4.340 -0.002 0.000 0.208 1013 L C 3.392 180.291 176.870 0.048 0.000 1.077 1013 L CA 1.786 56.642 54.840 0.027 0.000 0.747 1013 L CB -0.717 41.375 42.059 0.054 0.000 0.896 1013 L HN 0.495 nan 8.230 nan 0.000 0.432 1014 S N -1.526 114.240 115.700 0.109 0.000 2.368 1014 S HA -0.164 4.305 4.470 -0.002 0.000 0.224 1014 S C 1.936 176.582 174.600 0.077 0.000 1.029 1014 S CA 1.573 59.911 58.200 0.230 0.000 0.988 1014 S CB -0.777 62.724 63.200 0.502 0.000 0.838 1014 S HN 0.324 nan 8.310 nan 0.000 0.462 1015 T N 2.671 117.226 114.554 0.001 0.000 2.746 1015 T HA 0.065 4.414 4.350 -0.002 0.000 0.267 1015 T C 2.187 176.835 174.700 -0.087 0.000 1.039 1015 T CA 1.421 63.472 62.100 -0.081 0.000 1.142 1015 T CB -0.781 68.041 68.868 -0.077 0.000 0.866 1015 T HN 0.636 nan 8.240 nan 0.000 0.444 1016 A N 1.053 123.833 122.820 -0.067 0.000 1.898 1016 A HA 0.028 4.347 4.320 -0.002 0.000 0.216 1016 A C 2.238 179.804 177.584 -0.030 0.000 1.181 1016 A CA 1.248 53.236 52.037 -0.082 0.000 0.620 1016 A CB -0.755 18.185 19.000 -0.100 0.000 0.819 1016 A HN 0.437 nan 8.150 nan 0.000 0.442 1017 L N -0.378 120.847 121.223 0.003 0.000 1.994 1017 L HA -0.188 4.151 4.340 -0.002 0.000 0.208 1017 L C 2.506 179.413 176.870 0.061 0.000 1.071 1017 L CA 2.410 57.274 54.840 0.040 0.000 0.745 1017 L CB -0.870 41.255 42.059 0.111 0.000 0.892 1017 L HN 0.420 nan 8.230 nan 0.000 0.431 1018 C N -0.238 119.059 119.300 -0.006 0.000 2.401 1018 C HA -0.197 4.262 4.460 -0.002 0.000 0.276 1018 C C 2.742 177.730 174.990 -0.004 0.000 1.233 1018 C CA 1.234 60.196 59.018 -0.092 0.000 1.753 1018 C CB -0.959 26.591 27.740 -0.316 0.000 2.029 1018 C HN 0.614 nan 8.230 nan 0.000 0.478 1019 I N -0.892 119.677 120.570 -0.002 0.000 2.202 1019 I HA -0.190 3.979 4.170 -0.002 0.000 0.242 1019 I C 2.730 178.940 176.117 0.155 0.000 1.091 1019 I CA 1.536 62.866 61.300 0.051 0.000 1.368 1019 I CB -0.789 37.046 38.000 -0.275 0.000 1.058 1019 I HN 0.529 nan 8.210 nan 0.000 0.410 1020 H N 2.236 121.297 119.070 -0.014 0.000 2.254 1020 H HA -0.251 4.304 4.556 -0.002 0.000 0.294 1020 H C 1.938 177.285 175.328 0.031 0.000 1.071 1020 H CA 2.443 58.490 56.048 -0.002 0.000 1.228 1020 H CB -0.258 29.452 29.762 -0.086 0.000 1.358 1020 H HN 0.497 nan 8.280 nan 0.000 0.495 1021 E N 0.188 120.524 120.200 0.227 0.000 2.401 1021 E HA -0.154 4.195 4.350 -0.002 0.000 0.199 1021 E C 2.264 178.985 176.600 0.202 0.000 1.023 1021 E CA 0.605 57.092 56.400 0.146 0.000 0.859 1021 E CB -0.195 29.591 29.700 0.143 0.000 0.780 1021 E HN 0.308 nan 8.360 nan 0.000 0.523 1022 R N -0.791 119.752 120.500 0.072 0.000 2.300 1022 R HA 0.043 4.382 4.340 -0.002 0.000 0.199 1022 R C 0.117 176.145 176.300 -0.453 0.000 0.920 1022 R CA 0.393 56.370 56.100 -0.205 0.000 1.046 1022 R CB 0.395 30.482 30.300 -0.355 0.000 0.984 1022 R HN 0.258 nan 8.270 nan 0.000 0.493 1023 Y N -2.382 118.014 120.300 0.161 0.000 2.710 1023 Y HA 0.055 4.604 4.550 -0.002 0.000 0.278 1023 Y C 1.339 177.273 175.900 0.057 0.000 1.014 1023 Y CA -0.308 57.863 58.100 0.118 0.000 1.227 1023 Y CB 0.048 38.643 38.460 0.225 0.000 1.408 1023 Y HN 0.227 nan 8.280 nan 0.000 0.580 1024 H N -1.882 117.141 119.070 -0.078 0.000 2.457 1024 H HA -0.057 4.498 4.556 -0.002 0.000 0.294 1024 H C 2.023 177.321 175.328 -0.050 0.000 1.064 1024 H CA 1.345 57.283 56.048 -0.182 0.000 1.330 1024 H CB -0.062 29.387 29.762 -0.521 0.000 1.395 1024 H HN 0.148 nan 8.280 nan 0.000 0.541 1025 S N 0.979 116.406 115.700 -0.454 0.000 2.395 1025 S HA -0.101 4.368 4.470 -0.002 0.000 0.225 1025 S C 2.098 176.633 174.600 -0.109 0.000 1.027 1025 S CA 0.708 58.713 58.200 -0.325 0.000 0.965 1025 S CB -0.452 62.539 63.200 -0.347 0.000 0.812 1025 S HN 0.448 nan 8.310 nan 0.000 0.482 1026 V N -1.731 118.166 119.914 -0.029 0.000 3.174 1026 V HA 0.451 4.570 4.120 -0.002 0.000 0.254 1026 V C 0.321 176.443 176.094 0.048 0.000 1.120 1026 V CA -0.072 62.244 62.300 0.027 0.000 1.114 1026 V CB -0.782 31.081 31.823 0.067 0.000 0.756 1026 V HN 0.289 nan 8.190 nan 0.000 0.467 1027 L N 1.635 122.901 121.223 0.072 0.000 2.283 1027 L HA 0.501 4.840 4.340 -0.002 0.000 0.281 1027 L C 1.109 178.005 176.870 0.043 0.000 1.033 1027 L CA 0.113 54.989 54.840 0.059 0.000 0.848 1027 L CB 1.406 43.520 42.059 0.092 0.000 1.226 1027 L HN 0.109 nan 8.230 nan 0.000 0.429 1028 Q N 3.665 123.480 119.800 0.025 0.000 2.020 1028 Q HA -0.054 4.285 4.340 -0.002 0.000 0.202 1028 Q C -1.008 175.012 176.000 0.034 0.000 0.982 1028 Q CA 1.410 57.226 55.803 0.021 0.000 0.838 1028 Q CB -1.071 27.676 28.738 0.014 0.000 0.899 1028 Q HN 0.478 nan 8.270 nan 0.000 0.423 1029 P HA 0.164 nan 4.420 nan 0.000 0.209 1029 P C -1.160 176.171 177.300 0.050 0.000 1.843 1029 P CA -0.181 62.942 63.100 0.039 0.000 0.985 1029 P CB -0.017 31.700 31.700 0.029 0.000 1.904 1030 L N 1.756 123.016 121.223 0.062 0.000 2.356 1030 L HA 0.341 4.680 4.340 -0.002 0.000 0.282 1030 L C -0.452 176.461 176.870 0.071 0.000 1.132 1030 L CA -0.110 54.774 54.840 0.073 0.000 0.923 1030 L CB -0.298 41.810 42.059 0.082 0.000 1.278 1030 L HN -0.059 nan 8.230 nan 0.000 0.436 1031 D N 4.809 125.246 120.400 0.062 0.000 2.443 1031 D HA 0.320 4.959 4.640 -0.002 0.000 0.221 1031 D C -0.379 175.947 176.300 0.043 0.000 1.097 1031 D CA -0.126 53.913 54.000 0.065 0.000 0.865 1031 D CB 0.394 41.230 40.800 0.060 0.000 1.034 1031 D HN 0.449 nan 8.370 nan 0.000 0.511 1032 I N 3.124 123.727 120.570 0.055 0.000 2.428 1032 I HA 0.361 4.530 4.170 -0.002 0.000 0.296 1032 I C 0.410 176.543 176.117 0.027 0.000 0.985 1032 I CA -0.685 60.618 61.300 0.005 0.000 1.260 1032 I CB 1.327 39.325 38.000 -0.004 0.000 1.389 1032 I HN 0.109 nan 8.210 nan 0.000 0.484 1033 K N 4.150 124.535 120.400 -0.026 0.000 2.422 1033 K HA 0.594 4.913 4.320 -0.002 0.000 0.251 1033 K C -1.430 175.132 176.600 -0.063 0.000 0.933 1033 K CA -0.676 55.639 56.287 0.047 0.000 0.798 1033 K CB 2.835 35.433 32.500 0.163 0.000 1.238 1033 K HN 0.237 nan 8.250 nan 0.000 0.428 1034 V N 3.559 123.431 119.914 -0.070 0.000 2.407 1034 V HA 0.308 4.427 4.120 -0.002 0.000 0.278 1034 V C -1.021 175.286 176.094 0.356 0.000 1.037 1034 V CA -0.587 61.640 62.300 -0.122 0.000 0.900 1034 V CB 0.494 31.931 31.823 -0.644 0.000 0.983 1034 V HN 0.562 nan 8.190 nan 0.000 0.459 1035 Y N 3.096 123.415 120.300 0.032 0.000 2.328 1035 Y HA 0.792 5.341 4.550 -0.002 0.000 0.336 1035 Y C 0.319 176.206 175.900 -0.022 0.000 0.960 1035 Y CA -1.271 56.884 58.100 0.092 0.000 1.134 1035 Y CB 1.788 40.269 38.460 0.035 0.000 1.166 1035 Y HN 0.738 nan 8.280 nan 0.000 0.464 1036 A N 2.188 125.051 122.820 0.072 0.000 2.539 1036 A HA 0.499 4.818 4.320 -0.002 0.000 0.296 1036 A C 0.109 177.543 177.584 -0.251 0.000 1.073 1036 A CA -0.551 51.313 52.037 -0.289 0.000 0.700 1036 A CB 1.434 19.899 19.000 -0.891 0.000 1.296 1036 A HN 0.580 nan 8.150 nan 0.000 0.405 1037 D N 0.007 120.242 120.400 -0.276 0.000 2.240 1037 D HA 0.087 4.726 4.640 -0.002 0.000 0.206 1037 D C 0.501 176.677 176.300 -0.206 0.000 0.963 1037 D CA 1.194 55.072 54.000 -0.203 0.000 0.863 1037 D CB 0.242 40.896 40.800 -0.244 0.000 0.973 1037 D HN 0.493 nan 8.370 nan 0.000 0.501 1038 R N -0.661 119.636 120.500 -0.338 0.000 2.628 1038 R HA 0.450 4.789 4.340 -0.002 0.000 0.288 1038 R C -1.089 175.011 176.300 -0.334 0.000 0.980 1038 R CA -0.688 55.282 56.100 -0.218 0.000 0.891 1038 R CB 1.657 31.854 30.300 -0.173 0.000 1.188 1038 R HN -0.051 nan 8.270 nan 0.000 0.450 1039 F N -0.788 119.177 119.950 0.025 0.000 2.697 1039 F HA 0.291 4.817 4.527 -0.001 0.000 0.386 1039 F C 1.896 177.723 175.800 0.045 0.000 1.154 1039 F CA -0.538 57.493 58.000 0.052 0.000 1.108 1039 F CB 0.750 39.785 39.000 0.058 0.000 1.429 1039 F HN 0.488 nan 8.300 nan 0.000 0.509 1040 T N 0.734 115.470 114.554 0.303 0.000 2.684 1040 T HA -0.234 4.115 4.350 -0.002 0.000 0.259 1040 T C -1.093 173.677 174.700 0.116 0.000 1.086 1040 T CA 2.499 64.699 62.100 0.165 0.000 1.155 1040 T CB -1.462 67.473 68.868 0.113 0.000 0.848 1040 T HN 0.327 nan 8.240 nan 0.000 0.464 1041 P HA 0.077 nan 4.420 nan 0.000 0.217 1041 P C 0.647 177.990 177.300 0.071 0.000 1.151 1041 P CA 0.933 64.078 63.100 0.075 0.000 0.828 1041 P CB -0.224 31.514 31.700 0.062 0.000 0.788 1042 L N -3.051 118.219 121.223 0.079 0.000 2.732 1042 L HA 0.551 4.890 4.340 -0.002 0.000 0.246 1042 L C -0.197 176.718 176.870 0.074 0.000 1.407 1042 L CA -0.616 54.264 54.840 0.067 0.000 0.861 1042 L CB 0.140 42.232 42.059 0.055 0.000 1.161 1042 L HN -0.224 nan 8.230 nan 0.000 0.510 1043 T N -5.276 109.332 114.554 0.090 0.000 2.942 1043 T HA 0.393 4.742 4.350 -0.002 0.000 0.289 1043 T C 1.087 175.869 174.700 0.137 0.000 1.044 1043 T CA 0.019 62.196 62.100 0.129 0.000 1.023 1043 T CB 1.616 70.551 68.868 0.112 0.000 1.123 1043 T HN 0.189 nan 8.240 nan 0.000 0.512 1044 T N 1.131 115.802 114.554 0.196 0.000 2.737 1044 T HA -0.142 4.207 4.350 -0.002 0.000 0.269 1044 T C 1.950 176.686 174.700 0.060 0.000 1.040 1044 T CA 2.147 64.313 62.100 0.111 0.000 1.142 1044 T CB -0.914 68.025 68.868 0.118 0.000 0.861 1044 T HN 0.820 nan 8.240 nan 0.000 0.456 1045 T N 1.873 116.474 114.554 0.079 0.000 2.962 1045 T HA -0.082 4.267 4.350 -0.002 0.000 0.270 1045 T C 1.514 176.247 174.700 0.056 0.000 1.088 1045 T CA 0.914 63.049 62.100 0.058 0.000 1.127 1045 T CB -0.240 68.671 68.868 0.071 0.000 0.883 1045 T HN 0.483 nan 8.240 nan 0.000 0.493 1046 D N 0.750 121.187 120.400 0.062 0.000 2.213 1046 D HA 0.021 4.660 4.640 -0.002 0.000 0.205 1046 D C 2.116 178.439 176.300 0.040 0.000 0.961 1046 D CA 0.598 54.632 54.000 0.057 0.000 0.853 1046 D CB 0.111 40.948 40.800 0.062 0.000 0.967 1046 D HN 0.271 nan 8.370 nan 0.000 0.496 1047 V N 1.699 121.629 119.914 0.026 0.000 2.667 1047 V HA -0.035 4.084 4.120 -0.002 0.000 0.252 1047 V C 1.351 177.451 176.094 0.009 0.000 1.065 1047 V CA 0.472 62.778 62.300 0.010 0.000 1.083 1047 V CB -0.647 31.165 31.823 -0.019 0.000 0.692 1047 V HN 0.095 nan 8.190 nan 0.000 0.468 1048 A N 0.238 123.059 122.820 0.001 0.000 2.511 1048 A HA 0.498 4.817 4.320 -0.002 0.000 0.242 1048 A C 1.700 179.283 177.584 -0.002 0.000 1.069 1048 A CA 0.530 52.557 52.037 -0.018 0.000 0.763 1048 A CB 0.318 19.299 19.000 -0.032 0.000 1.001 1048 A HN 0.472 nan 8.150 nan 0.000 0.498 1049 A N 2.388 125.204 122.820 -0.006 0.000 1.883 1049 A HA 0.301 4.620 4.320 -0.002 0.000 0.217 1049 A C 2.001 179.569 177.584 -0.026 0.000 1.186 1049 A CA 1.918 53.958 52.037 0.005 0.000 0.624 1049 A CB -1.010 17.991 19.000 0.002 0.000 0.822 1049 A HN 2.747 nan 8.150 nan 0.000 0.444 1050 G N -2.166 106.596 108.800 -0.064 0.000 2.142 1050 G HA2 -0.065 3.894 3.960 -0.002 0.000 0.225 1050 G HA3 -0.065 3.894 3.960 -0.002 0.000 0.225 1050 G C -0.052 174.781 174.900 -0.111 0.000 1.015 1050 G CA 0.164 45.215 45.100 -0.080 0.000 0.716 1050 G HN 1.274 nan 8.290 nan 0.000 0.508 1051 L N 0.495 121.636 121.223 -0.137 0.000 2.315 1051 L HA 0.683 5.022 4.340 -0.002 0.000 0.283 1051 L C 0.553 177.356 176.870 -0.112 0.000 1.089 1051 L CA -1.557 53.179 54.840 -0.174 0.000 0.833 1051 L CB 0.244 42.123 42.059 -0.299 0.000 1.170 1051 L HN 0.245 nan 8.230 nan 0.000 0.442 1052 W N 7.355 128.539 121.300 -0.193 0.000 2.565 1052 W HA 0.319 4.978 4.660 -0.001 0.000 0.325 1052 W C -0.155 176.221 176.519 -0.239 0.000 1.408 1052 W CA 0.199 57.471 57.345 -0.122 0.000 1.350 1052 W CB 0.043 29.524 29.460 0.035 0.000 1.426 1052 W HN 0.706 nan 8.180 nan 0.000 0.538 1053 Q N 7.399 126.809 119.800 -0.649 0.000 2.536 1053 Q HA 0.197 4.536 4.340 -0.002 0.000 0.231 1053 Q C -2.483 172.958 176.000 -0.933 0.000 0.811 1053 Q CA -1.452 53.824 55.803 -0.878 0.000 0.966 1053 Q CB 1.446 29.897 28.738 -0.478 0.000 1.512 1053 Q HN 0.168 nan 8.270 nan 0.000 0.456 1054 P HA 0.033 nan 4.420 nan 0.000 0.280 1054 P C -0.795 176.245 177.300 -0.434 0.000 1.278 1054 P CA -0.074 62.493 63.100 -0.888 0.000 0.787 1054 P CB 0.363 31.639 31.700 -0.707 0.000 1.163 1055 Y N -1.266 118.897 120.300 -0.228 0.000 2.279 1055 Y HA 0.050 4.600 4.550 -0.001 0.000 0.350 1055 Y C 1.884 177.966 175.900 0.304 0.000 1.288 1055 Y CA -0.003 58.093 58.100 -0.007 0.000 1.547 1055 Y CB -0.763 37.636 38.460 -0.102 0.000 1.381 1055 Y HN 0.137 nan 8.280 nan 0.000 0.630 1056 L N -0.012 121.482 121.223 0.452 0.000 2.062 1056 L HA 0.025 4.364 4.340 -0.002 0.000 0.202 1056 L C 1.099 178.032 176.870 0.105 0.000 1.079 1056 L CA 0.713 55.755 54.840 0.337 0.000 0.755 1056 L CB -1.008 41.262 42.059 0.352 0.000 0.913 1056 L HN 0.575 nan 8.230 nan 0.000 0.445 1057 S N 0.191 115.935 115.700 0.073 0.000 2.572 1057 S HA 0.068 4.537 4.470 -0.002 0.000 0.279 1057 S C -0.271 174.346 174.600 0.029 0.000 1.341 1057 S CA -0.863 57.339 58.200 0.004 0.000 1.043 1057 S CB 0.493 63.680 63.200 -0.022 0.000 0.887 1057 S HN 0.092 nan 8.310 nan 0.000 0.516 1058 D N 2.867 123.261 120.400 -0.010 0.000 2.368 1058 D HA 0.411 5.050 4.640 -0.002 0.000 0.240 1058 D C -1.751 174.559 176.300 0.017 0.000 1.169 1058 D CA -0.683 53.316 54.000 -0.003 0.000 0.906 1058 D CB -0.056 40.721 40.800 -0.038 0.000 1.187 1058 D HN 0.551 nan 8.370 nan 0.000 0.435 1059 P HA 0.266 nan 4.420 nan 0.000 0.285 1059 P C -0.070 177.233 177.300 0.004 0.000 1.269 1059 P CA -0.578 62.545 63.100 0.039 0.000 0.844 1059 P CB 1.147 32.870 31.700 0.037 0.000 1.094 1060 N N 0.299 119.012 118.700 0.021 0.000 2.011 1060 N HA -0.180 4.559 4.740 -0.002 0.000 0.199 1060 N C 0.756 176.249 175.510 -0.028 0.000 1.047 1060 N CA 0.956 54.006 53.050 0.001 0.000 0.863 1060 N CB -0.361 38.137 38.487 0.018 0.000 1.056 1060 N HN 0.459 nan 8.380 nan 0.000 0.427 1061 N N 1.672 120.351 118.700 -0.036 0.000 2.402 1061 N HA 0.054 4.793 4.740 -0.002 0.000 0.259 1061 N C -1.831 173.575 175.510 -0.173 0.000 1.167 1061 N CA -1.396 51.590 53.050 -0.106 0.000 0.949 1061 N CB 0.945 39.365 38.487 -0.112 0.000 1.212 1061 N HN 0.189 nan 8.380 nan 0.000 0.493 1062 P HA -0.125 nan 4.420 nan 0.000 0.228 1062 P C 0.816 177.955 177.300 -0.267 0.000 1.151 1062 P CA 0.936 63.938 63.100 -0.163 0.000 0.770 1062 P CB 0.546 32.175 31.700 -0.119 0.000 0.786 1063 Q N 0.552 120.095 119.800 -0.428 0.000 2.061 1063 Q HA -0.189 4.150 4.340 -0.002 0.000 0.204 1063 Q C 2.124 177.531 176.000 -0.988 0.000 0.984 1063 Q CA 1.426 56.747 55.803 -0.804 0.000 0.846 1063 Q CB -0.452 27.587 28.738 -1.165 0.000 0.902 1063 Q HN 0.433 nan 8.270 nan 0.000 0.421 1064 E N 0.407 120.173 120.200 -0.723 0.000 2.233 1064 E HA -0.235 4.114 4.350 -0.002 0.000 0.199 1064 E C 1.848 178.396 176.600 -0.085 0.000 1.004 1064 E CA 0.918 57.176 56.400 -0.236 0.000 0.819 1064 E CB -0.133 29.583 29.700 0.026 0.000 0.738 1064 E HN 0.363 nan 8.360 nan 0.000 0.478 1065 A N 1.578 124.314 122.820 -0.139 0.000 1.930 1065 A HA -0.201 4.118 4.320 -0.002 0.000 0.217 1065 A C 1.643 179.237 177.584 0.016 0.000 1.175 1065 A CA 1.587 53.602 52.037 -0.035 0.000 0.627 1065 A CB -0.145 18.827 19.000 -0.047 0.000 0.815 1065 A HN 0.141 nan 8.150 nan 0.000 0.443 1066 D N -1.148 119.206 120.400 -0.075 0.000 2.194 1066 D HA -0.124 4.516 4.640 -0.002 0.000 0.204 1066 D C 1.657 178.085 176.300 0.213 0.000 0.964 1066 D CA 0.637 54.653 54.000 0.025 0.000 0.846 1066 D CB -0.332 40.436 40.800 -0.054 0.000 0.962 1066 D HN 0.649 nan 8.370 nan 0.000 0.490 1067 W N 1.952 123.318 121.300 0.110 0.000 2.381 1067 W HA -0.023 4.637 4.660 -0.001 0.000 0.301 1067 W C 2.565 179.195 176.519 0.185 0.000 1.205 1067 W CA 0.260 57.678 57.345 0.120 0.000 1.285 1067 W CB -1.263 28.257 29.460 0.100 0.000 1.133 1067 W HN -0.069 nan 8.180 nan 0.000 0.521 1068 S N 0.144 116.090 115.700 0.410 0.000 2.368 1068 S HA -0.255 4.214 4.470 -0.002 0.000 0.225 1068 S C 1.721 176.724 174.600 0.673 0.000 1.030 1068 S CA 1.758 60.208 58.200 0.415 0.000 0.999 1068 S CB -0.582 62.676 63.200 0.098 0.000 0.844 1068 S HN 0.222 nan 8.310 nan 0.000 0.459 1069 Q N 1.743 121.829 119.800 0.478 0.000 2.029 1069 Q HA -0.250 4.089 4.340 -0.002 0.000 0.209 1069 Q C 2.038 178.256 176.000 0.364 0.000 0.999 1069 Q CA 2.117 58.142 55.803 0.371 0.000 0.857 1069 Q CB -0.511 28.366 28.738 0.231 0.000 0.926 1069 Q HN 0.631 nan 8.270 nan 0.000 0.415 1070 Q N -1.146 118.866 119.800 0.352 0.000 2.224 1070 Q HA -0.105 4.234 4.340 -0.002 0.000 0.203 1070 Q C 2.076 178.324 176.000 0.413 0.000 0.970 1070 Q CA 1.601 57.612 55.803 0.346 0.000 0.865 1070 Q CB -0.024 28.908 28.738 0.322 0.000 0.922 1070 Q HN 0.418 nan 8.270 nan 0.000 0.445 1071 T N 0.761 115.585 114.554 0.450 0.000 2.668 1071 T HA -0.155 4.194 4.350 -0.002 0.000 0.262 1071 T C 1.340 176.241 174.700 0.335 0.000 1.045 1071 T CA 1.087 63.451 62.100 0.439 0.000 1.152 1071 T CB -0.436 68.710 68.868 0.465 0.000 0.864 1071 T HN 0.232 nan 8.240 nan 0.000 0.419 1072 F N 2.194 122.230 119.950 0.144 0.000 2.091 1072 F HA -0.194 4.332 4.527 -0.001 0.000 0.299 1072 F C 1.988 177.679 175.800 -0.183 0.000 1.103 1072 F CA 1.642 59.421 58.000 -0.368 0.000 1.228 1072 F CB -0.344 38.146 39.000 -0.851 0.000 0.984 1072 F HN 0.093 nan 8.300 nan 0.000 0.477 1073 D N -1.291 119.209 120.400 0.168 0.000 2.117 1073 D HA -0.238 4.401 4.640 -0.002 0.000 0.197 1073 D C 1.931 178.260 176.300 0.048 0.000 0.987 1073 D CA 1.569 55.636 54.000 0.111 0.000 0.829 1073 D CB -0.740 40.172 40.800 0.187 0.000 0.961 1073 D HN 0.432 nan 8.370 nan 0.000 0.460 1074 Y N 1.100 121.382 120.300 -0.030 0.000 2.181 1074 Y HA -0.107 4.442 4.550 -0.002 0.000 0.288 1074 Y C 1.970 177.732 175.900 -0.229 0.000 1.146 1074 Y CA 1.314 59.339 58.100 -0.125 0.000 1.164 1074 Y CB -0.397 37.889 38.460 -0.289 0.000 0.982 1074 Y HN -0.061 nan 8.280 nan 0.000 0.515 1075 L N -0.779 120.191 121.223 -0.421 0.000 2.044 1075 L HA -0.160 4.179 4.340 -0.002 0.000 0.205 1075 L C 2.409 178.996 176.870 -0.473 0.000 1.075 1075 L CA 1.110 55.617 54.840 -0.555 0.000 0.747 1075 L CB -0.796 41.008 42.059 -0.425 0.000 0.903 1075 L HN 0.297 nan 8.230 nan 0.000 0.435 1076 L N 0.135 121.039 121.223 -0.531 0.000 2.263 1076 L HA -0.215 4.124 4.340 -0.002 0.000 0.216 1076 L C 2.542 179.235 176.870 -0.294 0.000 1.111 1076 L CA 2.010 56.556 54.840 -0.489 0.000 0.773 1076 L CB -0.435 41.277 42.059 -0.579 0.000 0.906 1076 L HN 0.348 nan 8.230 nan 0.000 0.439 1077 S N -3.084 112.486 115.700 -0.217 0.000 2.558 1077 S HA -0.032 4.437 4.470 -0.002 0.000 0.217 1077 S C 1.255 175.701 174.600 -0.258 0.000 0.975 1077 S CA 0.424 58.526 58.200 -0.164 0.000 0.912 1077 S CB -0.485 62.681 63.200 -0.056 0.000 0.776 1077 S HN 0.651 nan 8.310 nan 0.000 0.526 1078 H N -0.621 118.238 119.070 -0.351 0.000 3.058 1078 H HA 0.426 4.982 4.556 -0.002 0.000 0.266 1078 H C 1.577 176.763 175.328 -0.236 0.000 1.135 1078 H CA 0.101 55.957 56.048 -0.320 0.000 1.174 1078 H CB 0.526 29.996 29.762 -0.486 0.000 1.581 1078 H HN 0.255 nan 8.280 nan 0.000 0.553 1079 V N 0.367 120.206 119.914 -0.124 0.000 2.568 1079 V HA -0.249 3.870 4.120 -0.002 0.000 0.253 1079 V C 0.900 177.082 176.094 0.146 0.000 1.072 1079 V CA 2.000 64.276 62.300 -0.040 0.000 1.084 1079 V CB -0.177 31.602 31.823 -0.073 0.000 0.676 1079 V HN 0.514 nan 8.190 nan 0.000 0.469 1080 H N -0.663 118.334 119.070 -0.122 0.000 2.487 1080 H HA 0.437 4.992 4.556 -0.002 0.000 0.290 1080 H C 0.978 176.247 175.328 -0.098 0.000 1.081 1080 H CA -0.342 55.649 56.048 -0.095 0.000 1.116 1080 H CB -0.006 29.706 29.762 -0.084 0.000 1.560 1080 H HN 0.340 nan 8.280 nan 0.000 0.548 1081 S N 1.591 117.283 115.700 -0.014 0.000 2.624 1081 S HA 0.063 4.532 4.470 -0.002 0.000 0.263 1081 S C -0.877 173.702 174.600 -0.035 0.000 1.287 1081 S CA -0.918 57.256 58.200 -0.043 0.000 0.990 1081 S CB 1.070 64.236 63.200 -0.056 0.000 0.950 1081 S HN 0.315 nan 8.310 nan 0.000 0.561 1082 P HA -0.056 nan 4.420 nan 0.000 0.221 1082 P C 0.302 177.595 177.300 -0.012 0.000 1.150 1082 P CA 0.950 64.041 63.100 -0.014 0.000 0.800 1082 P CB -0.169 31.535 31.700 0.006 0.000 0.787 1083 N N -0.406 118.288 118.700 -0.011 0.000 2.268 1083 N HA 0.167 4.906 4.740 -0.002 0.000 0.204 1083 N C 1.348 176.781 175.510 -0.128 0.000 1.124 1083 N CA 0.205 53.244 53.050 -0.020 0.000 0.838 1083 N CB -0.835 37.688 38.487 0.060 0.000 0.994 1083 N HN -0.011 nan 8.380 nan 0.000 0.489 1084 A N 1.043 123.795 122.820 -0.114 0.000 1.969 1084 A HA -0.171 4.148 4.320 -0.002 0.000 0.218 1084 A C 2.082 179.609 177.584 -0.095 0.000 1.169 1084 A CA 1.336 53.290 52.037 -0.138 0.000 0.635 1084 A CB -0.575 18.374 19.000 -0.086 0.000 0.810 1084 A HN 0.505 nan 8.150 nan 0.000 0.445 1085 E N 0.091 120.257 120.200 -0.057 0.000 2.106 1085 E HA -0.208 4.141 4.350 -0.002 0.000 0.192 1085 E C 1.495 178.086 176.600 -0.014 0.000 0.984 1085 E CA 1.186 57.569 56.400 -0.028 0.000 0.806 1085 E CB -0.186 29.496 29.700 -0.031 0.000 0.750 1085 E HN 0.579 nan 8.360 nan 0.000 0.458 1086 N N 0.503 119.190 118.700 -0.021 0.000 2.188 1086 N HA -0.135 4.604 4.740 -0.002 0.000 0.184 1086 N C 1.793 177.304 175.510 0.002 0.000 1.018 1086 N CA 0.810 53.878 53.050 0.030 0.000 0.858 1086 N CB -0.167 38.389 38.487 0.116 0.000 0.989 1086 N HN 0.186 nan 8.380 nan 0.000 0.426 1087 L N 0.349 121.458 121.223 -0.190 0.000 2.465 1087 L HA 0.085 4.424 4.340 -0.002 0.000 0.224 1087 L C 1.259 178.122 176.870 -0.012 0.000 1.145 1087 L CA 0.642 55.376 54.840 -0.176 0.000 0.834 1087 L CB -0.752 41.027 42.059 -0.466 0.000 0.944 1087 L HN 0.240 nan 8.230 nan 0.000 0.451 1088 G N 0.213 109.016 108.800 0.005 0.000 2.295 1088 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.287 1088 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.287 1088 G C 0.101 175.050 174.900 0.082 0.000 1.055 1088 G CA 0.186 45.334 45.100 0.081 0.000 0.922 1088 G HN 0.254 nan 8.290 nan 0.000 0.503 1089 L N -0.159 121.074 121.223 0.016 0.000 2.343 1089 L HA 0.927 5.266 4.340 -0.002 0.000 0.275 1089 L C 0.448 177.398 176.870 0.133 0.000 1.056 1089 L CA -0.976 53.818 54.840 -0.076 0.000 0.804 1089 L CB 1.144 43.094 42.059 -0.180 0.000 1.203 1089 L HN 0.551 nan 8.230 nan 0.000 0.440 1090 F N 1.755 121.639 119.950 -0.110 0.000 2.878 1090 F HA 0.427 4.953 4.527 -0.001 0.000 0.322 1090 F C -2.123 173.640 175.800 -0.062 0.000 1.154 1090 F CA -1.235 56.720 58.000 -0.076 0.000 0.896 1090 F CB 0.655 39.621 39.000 -0.057 0.000 1.313 1090 F HN 0.142 nan 8.300 nan 0.000 0.451 1091 L N 2.593 123.902 121.223 0.143 0.000 2.343 1091 L HA 0.761 5.100 4.340 -0.002 0.000 0.275 1091 L C -0.681 176.276 176.870 0.146 0.000 1.056 1091 L CA -0.932 53.936 54.840 0.048 0.000 0.804 1091 L CB 1.774 43.871 42.059 0.064 0.000 1.203 1091 L HN 0.744 nan 8.230 nan 0.000 0.440 1092 I N 0.840 121.458 120.570 0.081 0.000 2.743 1092 I HA 0.318 4.487 4.170 -0.002 0.000 0.292 1092 I C -0.827 175.323 176.117 0.055 0.000 1.343 1092 I CA 0.161 61.531 61.300 0.116 0.000 1.038 1092 I CB 2.104 40.229 38.000 0.208 0.000 1.311 1092 I HN 0.564 nan 8.210 nan 0.000 0.426 1093 S N 3.566 119.154 115.700 -0.188 0.000 2.739 1093 S HA 1.041 5.510 4.470 -0.002 0.000 0.306 1093 S C -0.187 173.635 174.600 -1.296 0.000 1.115 1093 S CA -0.200 57.662 58.200 -0.563 0.000 0.985 1093 S CB 1.869 64.877 63.200 -0.321 0.000 1.133 1093 S HN 1.047 nan 8.310 nan 0.000 0.541 1094 G N -0.251 107.313 108.800 -2.060 0.000 2.320 1094 G HA2 0.455 4.414 3.960 -0.002 0.000 0.296 1094 G HA3 0.455 4.414 3.960 -0.002 0.000 0.296 1094 G C -2.448 171.460 174.900 -1.653 0.000 1.306 1094 G CA -0.797 42.975 45.100 -2.212 0.000 0.836 1094 G HN 0.473 nan 8.290 nan 0.000 0.517 1095 Y N 0.267 120.222 120.300 -0.575 0.000 2.420 1095 Y HA 0.613 5.161 4.550 -0.002 0.000 0.334 1095 Y C 0.607 176.462 175.900 -0.076 0.000 1.094 1095 Y CA -0.894 57.073 58.100 -0.222 0.000 1.126 1095 Y CB 1.965 40.256 38.460 -0.283 0.000 1.217 1095 Y HN 0.312 nan 8.280 nan 0.000 0.462 1096 N N 3.094 121.819 118.700 0.041 0.000 2.399 1096 N HA 0.471 5.210 4.740 -0.002 0.000 0.280 1096 N C -1.613 173.558 175.510 -0.563 0.000 1.008 1096 N CA -0.493 52.426 53.050 -0.219 0.000 0.894 1096 N CB 1.990 40.336 38.487 -0.236 0.000 1.273 1096 N HN 0.452 nan 8.380 nan 0.000 0.486 1097 L N 2.391 123.162 121.223 -0.754 0.000 2.325 1097 L HA 0.656 4.995 4.340 -0.002 0.000 0.278 1097 L C -0.769 175.581 176.870 -0.866 0.000 1.023 1097 L CA -0.658 53.726 54.840 -0.760 0.000 0.811 1097 L CB 0.809 42.246 42.059 -1.037 0.000 1.249 1097 L HN 0.370 nan 8.230 nan 0.000 0.431 1098 F N -0.773 119.142 119.950 -0.059 0.000 2.675 1098 F HA 0.426 4.952 4.527 -0.001 0.000 0.324 1098 F C 1.043 176.900 175.800 0.095 0.000 1.106 1098 F CA -0.752 57.293 58.000 0.075 0.000 0.970 1098 F CB 1.198 40.245 39.000 0.077 0.000 1.385 1098 F HN 0.376 nan 8.300 nan 0.000 0.489 1099 H N -0.624 118.709 119.070 0.438 0.000 2.388 1099 H HA 0.196 4.750 4.556 -0.002 0.000 0.304 1099 H C -0.206 175.243 175.328 0.202 0.000 1.049 1099 H CA 0.920 57.106 56.048 0.230 0.000 1.371 1099 H CB 0.507 30.330 29.762 0.102 0.000 1.436 1099 H HN 0.394 nan 8.280 nan 0.000 0.544 1100 E N 0.502 120.877 120.200 0.292 0.000 2.235 1100 E HA 0.460 4.809 4.350 -0.002 0.000 0.265 1100 E C -0.326 176.267 176.600 -0.011 0.000 0.940 1100 E CA -0.982 55.490 56.400 0.119 0.000 0.819 1100 E CB 2.030 31.765 29.700 0.058 0.000 1.206 1100 E HN 0.147 nan 8.360 nan 0.000 0.409 1101 A N 2.177 124.824 122.820 -0.288 0.000 2.553 1101 A HA 0.137 4.456 4.320 -0.002 0.000 0.258 1101 A C -0.085 177.267 177.584 -0.386 0.000 1.069 1101 A CA 0.341 51.916 52.037 -0.770 0.000 0.767 1101 A CB -0.530 18.083 19.000 -0.645 0.000 0.997 1101 A HN 0.400 nan 8.150 nan 0.000 0.512 1102 I N 3.516 123.904 120.570 -0.303 0.000 2.846 1102 I HA 0.554 4.723 4.170 -0.002 0.000 0.307 1102 I C -2.075 174.006 176.117 -0.059 0.000 1.053 1102 I CA -2.172 59.028 61.300 -0.167 0.000 1.050 1102 I CB 1.877 39.681 38.000 -0.327 0.000 1.239 1102 I HN 0.460 nan 8.210 nan 0.000 0.439 1103 P HA 0.212 nan 4.420 nan 0.000 0.272 1103 P C -1.298 175.933 177.300 -0.114 0.000 1.230 1103 P CA -0.285 62.765 63.100 -0.083 0.000 0.788 1103 P CB 0.271 31.910 31.700 -0.103 0.000 0.949 1104 D N 1.605 121.866 120.400 -0.232 0.000 2.400 1104 D HA 0.109 4.748 4.640 -0.002 0.000 0.238 1104 D C -1.753 174.141 176.300 -0.677 0.000 1.157 1104 D CA -0.634 53.045 54.000 -0.536 0.000 0.889 1104 D CB -0.488 39.996 40.800 -0.527 0.000 1.199 1104 D HN 0.302 nan 8.370 nan 0.000 0.436 1105 P HA 0.045 nan 4.420 nan 0.000 0.275 1105 P C 0.322 177.064 177.300 -0.929 0.000 1.266 1105 P CA -0.270 62.161 63.100 -1.114 0.000 0.793 1105 P CB 0.738 31.175 31.700 -2.106 0.000 1.074 1106 S N -0.487 114.790 115.700 -0.705 0.000 2.406 1106 S HA -0.061 4.408 4.470 -0.002 0.000 0.224 1106 S C 1.606 175.980 174.600 -0.376 0.000 1.030 1106 S CA 0.125 58.071 58.200 -0.423 0.000 0.958 1106 S CB -1.051 62.030 63.200 -0.199 0.000 0.811 1106 S HN 0.696 nan 8.310 nan 0.000 0.489 1107 W N 3.557 124.724 121.300 -0.222 0.000 3.204 1107 W HA 0.219 4.877 4.660 -0.002 0.000 0.249 1107 W C 1.351 177.675 176.519 -0.325 0.000 1.322 1107 W CA 0.276 57.518 57.345 -0.171 0.000 1.593 1107 W CB -0.761 28.701 29.460 0.002 0.000 1.122 1107 W HN 0.515 nan 8.180 nan 0.000 0.710 1108 K N 1.432 121.375 120.400 -0.761 0.000 2.127 1108 K HA -0.274 4.045 4.320 -0.002 0.000 0.212 1108 K C 0.818 177.155 176.600 -0.438 0.000 1.050 1108 K CA 2.332 58.016 56.287 -1.004 0.000 0.929 1108 K CB -0.708 31.023 32.500 -1.282 0.000 0.715 1108 K HN 0.035 nan 8.250 nan 0.000 0.457 1109 D N 0.035 120.284 120.400 -0.253 0.000 2.363 1109 D HA 0.053 4.692 4.640 -0.002 0.000 0.214 1109 D C 0.879 177.123 176.300 -0.093 0.000 1.093 1109 D CA 0.435 54.361 54.000 -0.124 0.000 0.837 1109 D CB 0.695 41.432 40.800 -0.105 0.000 0.948 1109 D HN 0.363 nan 8.370 nan 0.000 0.507 1110 T N 0.447 114.927 114.554 -0.122 0.000 2.852 1110 T HA -0.022 4.327 4.350 -0.002 0.000 0.256 1110 T C 1.494 175.834 174.700 -0.601 0.000 1.038 1110 T CA 0.390 62.328 62.100 -0.270 0.000 1.141 1110 T CB -0.025 68.711 68.868 -0.219 0.000 0.869 1110 T HN 0.083 nan 8.240 nan 0.000 0.439 1111 V N 0.832 120.442 119.914 -0.507 0.000 3.441 1111 V HA 0.359 4.478 4.120 -0.002 0.000 0.300 1111 V C -0.007 176.090 176.094 0.006 0.000 1.091 1111 V CA -1.214 60.832 62.300 -0.423 0.000 1.099 1111 V CB -0.110 31.748 31.823 0.059 0.000 1.138 1111 V HN 0.057 nan 8.190 nan 0.000 0.471 1112 L N 2.657 124.001 121.223 0.201 0.000 2.292 1112 L HA 0.591 4.930 4.340 -0.002 0.000 0.284 1112 L C 1.295 178.316 176.870 0.252 0.000 1.065 1112 L CA 0.893 55.859 54.840 0.210 0.000 0.806 1112 L CB -0.362 41.821 42.059 0.207 0.000 1.175 1112 L HN 1.269 nan 8.230 nan 0.000 0.431 1113 G N 3.095 112.018 108.800 0.206 0.000 2.366 1113 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.299 1113 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.299 1113 G C 0.170 175.235 174.900 0.275 0.000 1.020 1113 G CA 0.126 45.351 45.100 0.209 0.000 1.026 1113 G HN 0.555 nan 8.290 nan 0.000 0.512 1114 F N 0.999 121.041 119.950 0.154 0.000 2.595 1114 F HA 0.487 5.013 4.527 -0.001 0.000 0.359 1114 F C 1.139 177.008 175.800 0.116 0.000 1.147 1114 F CA 0.878 58.964 58.000 0.142 0.000 1.341 1114 F CB 0.517 39.497 39.000 -0.033 0.000 1.104 1114 F HN 0.727 nan 8.300 nan 0.000 0.603 1115 R N 2.443 122.464 120.500 -0.799 0.000 2.774 1115 R HA 0.458 4.797 4.340 -0.002 0.000 0.279 1115 R C -1.898 174.160 176.300 -0.404 0.000 1.022 1115 R CA -1.465 54.395 56.100 -0.399 0.000 0.855 1115 R CB 0.559 30.799 30.300 -0.101 0.000 1.279 1115 R HN 0.345 nan 8.270 nan 0.000 0.485 1116 K N 0.687 121.006 120.400 -0.135 0.000 2.098 1116 K HA 0.442 4.761 4.320 -0.002 0.000 0.257 1116 K C -0.427 176.188 176.600 0.024 0.000 0.999 1116 K CA -0.560 55.718 56.287 -0.016 0.000 0.924 1116 K CB 0.733 33.287 32.500 0.091 0.000 1.028 1116 K HN 0.418 nan 8.250 nan 0.000 0.466 1117 L N 2.046 123.294 121.223 0.041 0.000 2.416 1117 L HA 0.154 4.493 4.340 -0.002 0.000 0.272 1117 L C 0.642 177.561 176.870 0.081 0.000 1.161 1117 L CA -0.303 54.594 54.840 0.096 0.000 0.845 1117 L CB 0.423 42.558 42.059 0.127 0.000 1.119 1117 L HN 0.759 nan 8.230 nan 0.000 0.464 1118 T N -0.398 114.196 114.554 0.067 0.000 2.913 1118 T HA 0.274 4.623 4.350 -0.002 0.000 0.287 1118 T C -1.628 173.113 174.700 0.067 0.000 1.008 1118 T CA -1.925 60.209 62.100 0.056 0.000 1.067 1118 T CB 1.413 70.293 68.868 0.020 0.000 0.996 1118 T HN 0.393 nan 8.240 nan 0.000 0.513 1119 P HA -0.241 nan 4.420 nan 0.000 0.217 1119 P C 1.387 178.710 177.300 0.037 0.000 1.148 1119 P CA 1.417 64.555 63.100 0.063 0.000 0.834 1119 P CB -0.050 31.681 31.700 0.051 0.000 0.783 1120 R N 0.283 120.794 120.500 0.017 0.000 2.115 1120 R HA -0.022 4.317 4.340 -0.002 0.000 0.226 1120 R C 1.965 178.244 176.300 -0.034 0.000 1.100 1120 R CA 1.033 57.126 56.100 -0.012 0.000 0.980 1120 R CB -1.002 29.288 30.300 -0.017 0.000 0.875 1120 R HN 0.214 nan 8.270 nan 0.000 0.445 1121 E N 1.610 121.810 120.200 0.001 0.000 2.046 1121 E HA -0.084 4.265 4.350 -0.002 0.000 0.190 1121 E C 2.123 178.732 176.600 0.015 0.000 0.982 1121 E CA 1.098 57.503 56.400 0.008 0.000 0.800 1121 E CB -0.163 29.620 29.700 0.139 0.000 0.756 1121 E HN 0.287 nan 8.360 nan 0.000 0.449 1122 L N 1.535 122.818 121.223 0.100 0.000 2.191 1122 L HA -0.186 4.153 4.340 -0.002 0.000 0.212 1122 L C 1.813 178.724 176.870 0.069 0.000 1.103 1122 L CA 0.722 55.658 54.840 0.161 0.000 0.769 1122 L CB -0.402 41.755 42.059 0.162 0.000 0.908 1122 L HN 0.053 nan 8.230 nan 0.000 0.438 1123 D N 0.114 120.505 120.400 -0.015 0.000 2.263 1123 D HA -0.151 4.488 4.640 -0.002 0.000 0.208 1123 D C 2.205 178.410 176.300 -0.157 0.000 0.971 1123 D CA 1.210 55.176 54.000 -0.056 0.000 0.867 1123 D CB -0.003 40.766 40.800 -0.052 0.000 0.929 1123 D HN 0.448 nan 8.370 nan 0.000 0.492 1124 M N -0.656 118.735 119.600 -0.348 0.000 2.492 1124 M HA -0.001 4.478 4.480 -0.002 0.000 0.262 1124 M C -0.100 175.715 176.300 -0.808 0.000 1.090 1124 M CA 0.644 55.550 55.300 -0.657 0.000 1.110 1124 M CB 0.175 32.156 32.600 -1.032 0.000 1.407 1124 M HN -0.157 nan 8.290 nan 0.000 0.470 1125 F N -0.294 119.618 119.950 -0.062 0.000 2.451 1125 F HA 0.364 4.890 4.527 -0.001 0.000 0.367 1125 F C -1.964 173.873 175.800 0.063 0.000 1.100 1125 F CA -2.567 55.431 58.000 -0.005 0.000 1.171 1125 F CB 0.048 39.027 39.000 -0.036 0.000 1.405 1125 F HN -0.185 nan 8.300 nan 0.000 0.482 1126 P HA -0.158 nan 4.420 nan 0.000 0.215 1126 P C 0.900 178.268 177.300 0.114 0.000 1.157 1126 P CA 1.447 64.610 63.100 0.106 0.000 0.868 1126 P CB 0.330 32.067 31.700 0.063 0.000 0.788 1127 D N -2.537 117.939 120.400 0.127 0.000 2.371 1127 D HA -0.011 4.628 4.640 -0.002 0.000 0.234 1127 D C -0.192 175.879 176.300 -0.382 0.000 1.049 1127 D CA 0.797 54.761 54.000 -0.060 0.000 0.907 1127 D CB -0.365 40.391 40.800 -0.073 0.000 0.891 1127 D HN 0.282 nan 8.370 nan 0.000 0.531 1128 Y N -1.786 118.550 120.300 0.060 0.000 2.470 1128 Y HA 0.485 5.034 4.550 -0.002 0.000 0.341 1128 Y C 1.153 177.099 175.900 0.077 0.000 1.021 1128 Y CA -1.079 56.999 58.100 -0.035 0.000 1.025 1128 Y CB 2.465 40.826 38.460 -0.165 0.000 1.266 1128 Y HN -0.205 nan 8.280 nan 0.000 0.448 1129 G N 1.041 109.985 108.800 0.241 0.000 3.277 1129 G HA2 0.235 4.194 3.960 -0.002 0.000 0.243 1129 G HA3 0.235 4.194 3.960 -0.002 0.000 0.243 1129 G C -1.088 174.019 174.900 0.346 0.000 1.107 1129 G CA 0.182 45.430 45.100 0.247 0.000 0.771 1129 G HN 0.527 nan 8.290 nan 0.000 0.544 1130 Y N -1.269 119.145 120.300 0.190 0.000 2.661 1130 Y HA 0.487 5.036 4.550 -0.001 0.000 0.339 1130 Y C -0.248 175.797 175.900 0.243 0.000 1.186 1130 Y CA -0.386 57.833 58.100 0.199 0.000 1.137 1130 Y CB 0.778 39.344 38.460 0.176 0.000 1.354 1130 Y HN 0.414 nan 8.280 nan 0.000 0.469 1131 G N 1.412 109.774 108.800 -0.730 0.000 2.341 1131 G HA2 0.427 4.386 3.960 -0.002 0.000 0.299 1131 G HA3 0.427 4.386 3.960 -0.002 0.000 0.299 1131 G C -2.181 172.538 174.900 -0.302 0.000 1.274 1131 G CA -0.617 44.200 45.100 -0.472 0.000 0.853 1131 G HN 0.582 nan 8.290 nan 0.000 0.493 1132 W N -1.165 120.130 121.300 -0.009 0.000 2.958 1132 W HA 0.847 5.505 4.660 -0.002 0.000 0.339 1132 W C -1.169 175.398 176.519 0.080 0.000 1.174 1132 W CA -1.883 55.419 57.345 -0.071 0.000 1.064 1132 W CB 0.964 30.389 29.460 -0.060 0.000 1.471 1132 W HN 0.511 nan 8.180 nan 0.000 0.599 1133 F N 2.359 122.350 119.950 0.069 0.000 2.596 1133 F HA 0.480 5.006 4.527 -0.002 0.000 0.311 1133 F C -0.510 175.348 175.800 0.097 0.000 1.116 1133 F CA -0.380 57.611 58.000 -0.014 0.000 0.957 1133 F CB 1.278 40.186 39.000 -0.152 0.000 1.250 1133 F HN 0.422 nan 8.300 nan 0.000 0.444 1134 H N 1.220 120.145 119.070 -0.242 0.000 2.967 1134 H HA 0.360 4.915 4.556 -0.001 0.000 0.318 1134 H C -1.906 173.399 175.328 -0.039 0.000 1.375 1134 H CA -1.055 55.052 56.048 0.098 0.000 1.132 1134 H CB 1.301 31.298 29.762 0.391 0.000 1.848 1134 H HN 0.405 nan 8.280 nan 0.000 0.524 1135 T N 1.692 116.347 114.554 0.168 0.000 2.832 1135 T HA 0.298 4.647 4.350 -0.002 0.000 0.313 1135 T C 0.487 175.349 174.700 0.269 0.000 1.035 1135 T CA -0.191 61.973 62.100 0.107 0.000 0.950 1135 T CB 0.799 69.762 68.868 0.158 0.000 0.984 1135 T HN 0.586 nan 8.240 nan 0.000 0.486 1136 S N 3.120 118.975 115.700 0.259 0.000 2.448 1136 S HA 0.791 5.260 4.470 -0.002 0.000 0.271 1136 S C -0.384 174.337 174.600 0.202 0.000 1.145 1136 S CA -0.668 57.760 58.200 0.380 0.000 1.022 1136 S CB 0.327 63.736 63.200 0.349 0.000 1.202 1136 S HN 0.570 nan 8.310 nan 0.000 0.479 1137 L N 0.840 122.128 121.223 0.108 0.000 2.393 1137 L HA 0.626 4.965 4.340 -0.002 0.000 0.260 1137 L C -1.199 175.537 176.870 -0.222 0.000 1.002 1137 L CA -0.599 54.142 54.840 -0.164 0.000 0.818 1137 L CB 1.948 43.793 42.059 -0.358 0.000 1.369 1137 L HN 0.538 nan 8.230 nan 0.000 0.412 1138 I N 2.740 123.002 120.570 -0.514 0.000 2.436 1138 I HA 0.350 4.519 4.170 -0.002 0.000 0.289 1138 I C -1.212 174.620 176.117 -0.475 0.000 1.010 1138 I CA -0.581 60.391 61.300 -0.548 0.000 1.098 1138 I CB 2.366 39.872 38.000 -0.823 0.000 1.266 1138 I HN 0.296 nan 8.210 nan 0.000 0.434 1139 L N 7.045 128.104 121.223 -0.273 0.000 2.366 1139 L HA 0.404 4.743 4.340 -0.002 0.000 0.266 1139 L C -0.328 176.461 176.870 -0.135 0.000 1.010 1139 L CA -0.054 54.639 54.840 -0.245 0.000 0.879 1139 L CB 0.966 42.818 42.059 -0.346 0.000 1.228 1139 L HN 0.472 nan 8.230 nan 0.000 0.439 1140 E N 2.870 123.047 120.200 -0.038 0.000 2.299 1140 E HA 0.170 4.519 4.350 -0.002 0.000 0.272 1140 E C 0.942 177.585 176.600 0.072 0.000 1.043 1140 E CA 0.433 56.855 56.400 0.036 0.000 0.895 1140 E CB 1.222 30.983 29.700 0.103 0.000 1.011 1140 E HN 0.862 nan 8.360 nan 0.000 0.432 1141 G N 3.802 112.644 108.800 0.070 0.000 2.440 1141 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.218 1141 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.218 1141 G C 1.535 176.516 174.900 0.134 0.000 1.154 1141 G CA 0.811 45.982 45.100 0.118 0.000 0.767 1141 G HN 0.389 nan 8.290 nan 0.000 0.552 1142 K N 0.980 121.441 120.400 0.101 0.000 2.020 1142 K HA -0.127 4.192 4.320 -0.002 0.000 0.212 1142 K C 2.319 178.985 176.600 0.110 0.000 1.050 1142 K CA 2.019 58.362 56.287 0.093 0.000 0.929 1142 K CB -0.495 32.049 32.500 0.074 0.000 0.714 1142 K HN 0.362 nan 8.250 nan 0.000 0.443 1143 N N -1.233 117.540 118.700 0.123 0.000 2.142 1143 N HA -0.134 4.605 4.740 -0.002 0.000 0.186 1143 N C 1.476 177.117 175.510 0.219 0.000 1.023 1143 N CA 1.166 54.302 53.050 0.143 0.000 0.852 1143 N CB -0.367 38.192 38.487 0.119 0.000 0.998 1143 N HN 0.180 nan 8.380 nan 0.000 0.424 1144 Y N 1.029 121.368 120.300 0.066 0.000 2.165 1144 Y HA -0.114 4.435 4.550 -0.002 0.000 0.286 1144 Y C 1.886 177.890 175.900 0.173 0.000 1.155 1144 Y CA 1.085 59.240 58.100 0.091 0.000 1.164 1144 Y CB -0.500 37.957 38.460 -0.005 0.000 0.978 1144 Y HN 0.011 nan 8.280 nan 0.000 0.513 1145 L N 0.142 121.420 121.223 0.091 0.000 2.093 1145 L HA -0.190 4.149 4.340 -0.002 0.000 0.208 1145 L C 2.455 179.350 176.870 0.042 0.000 1.085 1145 L CA 1.940 56.796 54.840 0.026 0.000 0.755 1145 L CB -1.217 40.892 42.059 0.085 0.000 0.904 1145 L HN 0.304 nan 8.230 nan 0.000 0.435 1146 Q N -1.652 118.197 119.800 0.081 0.000 2.079 1146 Q HA -0.254 4.085 4.340 -0.002 0.000 0.200 1146 Q C 2.100 178.140 176.000 0.066 0.000 0.974 1146 Q CA 1.881 57.719 55.803 0.059 0.000 0.840 1146 Q CB -0.643 28.137 28.738 0.070 0.000 0.898 1146 Q HN 0.486 nan 8.270 nan 0.000 0.430 1147 W N 0.473 121.738 121.300 -0.058 0.000 2.329 1147 W HA -0.214 4.445 4.660 -0.002 0.000 0.324 1147 W C 1.653 178.109 176.519 -0.105 0.000 1.222 1147 W CA 2.099 59.408 57.345 -0.061 0.000 1.270 1147 W CB -0.660 28.791 29.460 -0.016 0.000 1.167 1147 W HN 0.242 nan 8.180 nan 0.000 0.467 1148 L N -0.013 121.184 121.223 -0.044 0.000 1.991 1148 L HA -0.414 3.925 4.340 -0.002 0.000 0.221 1148 L C 2.471 179.227 176.870 -0.191 0.000 1.079 1148 L CA 2.481 57.191 54.840 -0.216 0.000 0.778 1148 L CB -1.598 40.353 42.059 -0.180 0.000 0.893 1148 L HN 0.032 nan 8.230 nan 0.000 0.437 1149 T N -0.934 113.564 114.554 -0.093 0.000 2.624 1149 T HA -0.285 4.064 4.350 -0.002 0.000 0.268 1149 T C 1.730 176.272 174.700 -0.264 0.000 1.041 1149 T CA 1.944 63.963 62.100 -0.135 0.000 1.159 1149 T CB -0.313 68.454 68.868 -0.169 0.000 0.863 1149 T HN 0.425 nan 8.240 nan 0.000 0.434 1150 E N 0.062 120.096 120.200 -0.277 0.000 2.150 1150 E HA -0.089 4.260 4.350 -0.002 0.000 0.193 1150 E C 2.599 178.995 176.600 -0.340 0.000 0.985 1150 E CA 0.605 56.831 56.400 -0.289 0.000 0.814 1150 E CB -0.035 29.518 29.700 -0.245 0.000 0.752 1150 E HN 0.158 nan 8.360 nan 0.000 0.466 1151 R N 0.513 120.720 120.500 -0.488 0.000 2.082 1151 R HA -0.153 4.186 4.340 -0.002 0.000 0.234 1151 R C 2.155 178.267 176.300 -0.313 0.000 1.136 1151 R CA 1.104 56.911 56.100 -0.489 0.000 0.935 1151 R CB -0.718 29.155 30.300 -0.712 0.000 0.842 1151 R HN 0.084 nan 8.270 nan 0.000 0.430 1152 L N -0.153 120.938 121.223 -0.220 0.000 2.083 1152 L HA -0.133 4.206 4.340 -0.002 0.000 0.209 1152 L C 2.138 178.969 176.870 -0.065 0.000 1.083 1152 L CA 1.944 56.735 54.840 -0.082 0.000 0.752 1152 L CB -1.042 41.137 42.059 0.200 0.000 0.899 1152 L HN 0.254 nan 8.230 nan 0.000 0.433 1153 T N -0.451 114.011 114.554 -0.154 0.000 2.788 1153 T HA -0.195 4.154 4.350 -0.002 0.000 0.268 1153 T C 1.534 176.150 174.700 -0.139 0.000 1.044 1153 T CA 1.474 63.465 62.100 -0.182 0.000 1.139 1153 T CB -0.265 68.426 68.868 -0.295 0.000 0.867 1153 T HN 0.621 nan 8.240 nan 0.000 0.454 1154 E N 0.997 121.101 120.200 -0.161 0.000 2.482 1154 E HA -0.001 4.348 4.350 -0.002 0.000 0.196 1154 E C 1.795 178.319 176.600 -0.126 0.000 1.047 1154 E CA 0.380 56.701 56.400 -0.131 0.000 0.869 1154 E CB -0.095 29.525 29.700 -0.133 0.000 0.836 1154 E HN 0.347 nan 8.360 nan 0.000 0.520 1155 R N -0.164 120.226 120.500 -0.184 0.000 2.334 1155 R HA 0.172 4.511 4.340 -0.002 0.000 0.216 1155 R C 0.938 177.175 176.300 -0.105 0.000 0.905 1155 R CA 0.464 56.409 56.100 -0.258 0.000 1.064 1155 R CB 0.819 30.703 30.300 -0.692 0.000 1.046 1155 R HN 0.378 nan 8.270 nan 0.000 0.508 1156 G N 0.547 109.320 108.800 -0.044 0.000 2.213 1156 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.236 1156 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.236 1156 G C 0.247 175.187 174.900 0.066 0.000 0.991 1156 G CA -0.048 45.070 45.100 0.030 0.000 0.629 1156 G HN 0.125 nan 8.290 nan 0.000 0.517 1157 V N 2.744 122.694 119.914 0.061 0.000 2.441 1157 V HA 0.162 4.281 4.120 -0.002 0.000 0.279 1157 V C 1.041 177.292 176.094 0.261 0.000 0.990 1157 V CA 0.712 63.090 62.300 0.129 0.000 1.116 1157 V CB 0.154 32.033 31.823 0.092 0.000 0.977 1157 V HN 0.390 nan 8.190 nan 0.000 0.470 1158 K N 5.311 125.838 120.400 0.212 0.000 2.218 1158 K HA 0.536 4.855 4.320 -0.002 0.000 0.276 1158 K C -0.608 176.138 176.600 0.244 0.000 1.022 1158 K CA -0.076 56.321 56.287 0.183 0.000 0.946 1158 K CB 0.954 33.508 32.500 0.089 0.000 1.000 1158 K HN 0.462 nan 8.250 nan 0.000 0.468 1159 F N 1.913 121.675 119.950 -0.313 0.000 2.480 1159 F HA 0.479 5.005 4.527 -0.001 0.000 0.329 1159 F C -0.286 175.236 175.800 -0.463 0.000 1.091 1159 F CA -1.097 56.817 58.000 -0.143 0.000 0.972 1159 F CB 1.143 40.035 39.000 -0.178 0.000 1.150 1159 F HN 0.298 nan 8.300 nan 0.000 0.467 1160 F N 1.227 121.375 119.950 0.330 0.000 2.569 1160 F HA 0.292 4.818 4.527 -0.002 0.000 0.312 1160 F C -0.381 175.568 175.800 0.248 0.000 1.109 1160 F CA -0.972 57.108 58.000 0.134 0.000 0.919 1160 F CB 1.737 40.663 39.000 -0.123 0.000 1.211 1160 F HN 0.263 nan 8.300 nan 0.000 0.446 1161 Q N 5.294 125.301 119.800 0.344 0.000 2.421 1161 Q HA 0.453 4.792 4.340 -0.002 0.000 0.242 1161 Q C -0.991 175.088 176.000 0.131 0.000 1.024 1161 Q CA -0.335 55.690 55.803 0.370 0.000 0.891 1161 Q CB 0.795 29.726 28.738 0.322 0.000 1.222 1161 Q HN 0.975 nan 8.270 nan 0.000 0.483 1162 R N 1.633 122.160 120.500 0.044 0.000 2.634 1162 R HA 0.425 4.764 4.340 -0.002 0.000 0.263 1162 R C -1.426 174.832 176.300 -0.071 0.000 1.060 1162 R CA -0.967 55.099 56.100 -0.057 0.000 0.898 1162 R CB 1.131 31.331 30.300 -0.167 0.000 1.253 1162 R HN 0.206 nan 8.270 nan 0.000 0.461 1163 K N 2.585 122.938 120.400 -0.079 0.000 2.253 1163 K HA 0.265 4.584 4.320 -0.002 0.000 0.277 1163 K C -0.674 175.879 176.600 -0.078 0.000 1.053 1163 K CA -0.626 55.605 56.287 -0.093 0.000 0.892 1163 K CB 1.541 33.975 32.500 -0.109 0.000 1.102 1163 K HN 0.457 nan 8.250 nan 0.000 0.469 1164 V N 4.849 124.727 119.914 -0.061 0.000 2.572 1164 V HA -0.009 4.110 4.120 -0.002 0.000 0.291 1164 V C 1.056 177.094 176.094 -0.093 0.000 1.039 1164 V CA 0.182 62.455 62.300 -0.046 0.000 1.055 1164 V CB 1.270 33.086 31.823 -0.012 0.000 0.969 1164 V HN 0.894 nan 8.190 nan 0.000 0.482 1165 E N 2.431 122.581 120.200 -0.083 0.000 2.276 1165 E HA 0.101 4.450 4.350 -0.002 0.000 0.193 1165 E C 0.582 177.104 176.600 -0.130 0.000 0.983 1165 E CA 0.702 57.044 56.400 -0.097 0.000 0.861 1165 E CB 0.699 30.359 29.700 -0.067 0.000 0.817 1165 E HN 0.806 nan 8.360 nan 0.000 0.485 1166 S N -1.421 114.192 115.700 -0.145 0.000 2.597 1166 S HA 0.238 4.707 4.470 -0.002 0.000 0.274 1166 S C 0.033 174.551 174.600 -0.136 0.000 1.132 1166 S CA -0.734 57.356 58.200 -0.184 0.000 0.835 1166 S CB -0.150 63.010 63.200 -0.066 0.000 1.092 1166 S HN -0.122 nan 8.310 nan 0.000 0.457 1167 F N 2.181 122.144 119.950 0.021 0.000 2.171 1167 F HA 0.001 4.527 4.527 -0.002 0.000 0.300 1167 F C 2.735 178.538 175.800 0.005 0.000 1.090 1167 F CA 1.711 59.719 58.000 0.013 0.000 1.293 1167 F CB -0.339 38.674 39.000 0.023 0.000 1.013 1167 F HN 0.801 nan 8.300 nan 0.000 0.486 1168 E N 0.715 121.022 120.200 0.179 0.000 2.072 1168 E HA -0.250 4.099 4.350 -0.002 0.000 0.190 1168 E C 1.965 178.603 176.600 0.063 0.000 0.982 1168 E CA 1.199 57.660 56.400 0.103 0.000 0.803 1168 E CB -1.152 28.595 29.700 0.079 0.000 0.755 1168 E HN 0.586 nan 8.360 nan 0.000 0.453 1169 E N 1.321 121.548 120.200 0.044 0.000 2.136 1169 E HA -0.218 4.131 4.350 -0.002 0.000 0.202 1169 E C 2.089 178.717 176.600 0.047 0.000 1.019 1169 E CA 2.205 58.624 56.400 0.031 0.000 0.819 1169 E CB 0.112 29.820 29.700 0.013 0.000 0.739 1169 E HN 0.198 nan 8.360 nan 0.000 0.458 1170 V N 0.693 120.646 119.914 0.065 0.000 2.535 1170 V HA -0.104 4.015 4.120 -0.002 0.000 0.246 1170 V C 2.461 178.572 176.094 0.029 0.000 1.045 1170 V CA 1.368 63.704 62.300 0.060 0.000 1.058 1170 V CB -0.585 31.270 31.823 0.053 0.000 0.689 1170 V HN 0.422 nan 8.190 nan 0.000 0.461 1171 A N 0.319 123.166 122.820 0.044 0.000 1.858 1171 A HA -0.225 4.094 4.320 -0.002 0.000 0.216 1171 A C 2.372 179.966 177.584 0.018 0.000 1.190 1171 A CA 1.794 53.847 52.037 0.026 0.000 0.617 1171 A CB -0.588 18.435 19.000 0.039 0.000 0.827 1171 A HN 0.428 nan 8.150 nan 0.000 0.443 1172 R N 0.003 120.517 120.500 0.024 0.000 2.174 1172 R HA -0.223 4.116 4.340 -0.002 0.000 0.253 1172 R C 1.849 178.155 176.300 0.010 0.000 1.165 1172 R CA 1.837 57.946 56.100 0.016 0.000 0.984 1172 R CB -0.332 29.979 30.300 0.017 0.000 0.873 1172 R HN 0.917 nan 8.270 nan 0.000 0.456 1173 E N -1.226 118.982 120.200 0.012 0.000 2.465 1173 E HA 0.097 4.446 4.350 -0.002 0.000 0.191 1173 E C 0.801 177.401 176.600 -0.000 0.000 1.053 1173 E CA 0.535 56.940 56.400 0.008 0.000 0.869 1173 E CB 0.771 30.482 29.700 0.018 0.000 0.977 1173 E HN 0.301 nan 8.360 nan 0.000 0.483 1174 G N 0.046 108.843 108.800 -0.005 0.000 2.227 1174 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.168 1174 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.168 1174 G C 0.285 175.173 174.900 -0.020 0.000 1.006 1174 G CA -0.362 44.732 45.100 -0.010 0.000 0.684 1174 G HN 0.599 nan 8.290 nan 0.000 0.489 1175 A N 0.801 123.603 122.820 -0.030 0.000 2.444 1175 A HA 0.552 4.871 4.320 -0.002 0.000 0.273 1175 A C 1.164 178.730 177.584 -0.030 0.000 1.136 1175 A CA 0.747 52.756 52.037 -0.047 0.000 0.799 1175 A CB 0.236 19.190 19.000 -0.077 0.000 1.081 1175 A HN 0.238 nan 8.150 nan 0.000 0.509 1176 D N 1.463 121.850 120.400 -0.022 0.000 2.084 1176 D HA -0.036 4.603 4.640 -0.002 0.000 0.199 1176 D C 0.441 176.733 176.300 -0.013 0.000 0.981 1176 D CA 1.617 55.609 54.000 -0.013 0.000 0.841 1176 D CB 0.035 40.834 40.800 -0.001 0.000 0.997 1176 D HN 0.345 nan 8.370 nan 0.000 0.454 1177 V N 1.410 121.328 119.914 0.006 0.000 2.547 1177 V HA 0.375 4.494 4.120 -0.002 0.000 0.299 1177 V C 0.117 176.181 176.094 -0.049 0.000 1.040 1177 V CA -0.577 61.728 62.300 0.008 0.000 0.913 1177 V CB 2.318 34.221 31.823 0.134 0.000 0.992 1177 V HN 0.003 nan 8.190 nan 0.000 0.449 1178 I N 3.904 124.428 120.570 -0.077 0.000 2.411 1178 I HA 0.347 4.516 4.170 -0.002 0.000 0.284 1178 I C -0.642 175.407 176.117 -0.114 0.000 1.012 1178 I CA -0.665 60.581 61.300 -0.090 0.000 1.119 1178 I CB 1.944 39.912 38.000 -0.054 0.000 1.261 1178 I HN 0.306 nan 8.210 nan 0.000 0.448 1179 V N 5.184 125.040 119.914 -0.097 0.000 2.368 1179 V HA 0.163 4.282 4.120 -0.002 0.000 0.266 1179 V C 0.210 176.290 176.094 -0.022 0.000 1.045 1179 V CA -0.539 61.711 62.300 -0.085 0.000 0.899 1179 V CB 0.934 32.697 31.823 -0.100 0.000 1.006 1179 V HN 0.676 nan 8.190 nan 0.000 0.470 1180 N N 4.260 122.956 118.700 -0.006 0.000 2.558 1180 N HA 0.245 4.984 4.740 -0.002 0.000 0.233 1180 N C -0.484 175.173 175.510 0.246 0.000 1.038 1180 N CA -0.290 52.847 53.050 0.146 0.000 0.934 1180 N CB 0.464 39.060 38.487 0.182 0.000 1.175 1180 N HN 0.653 nan 8.380 nan 0.000 0.512 1181 C N 2.697 122.110 119.300 0.188 0.000 2.987 1181 C HA 0.264 4.723 4.460 -0.002 0.000 0.262 1181 C C 1.389 176.497 174.990 0.197 0.000 1.531 1181 C CA -0.598 58.547 59.018 0.212 0.000 1.571 1181 C CB -1.276 26.542 27.740 0.130 0.000 2.381 1181 C HN 0.800 nan 8.230 nan 0.000 0.519 1182 T N -2.136 112.540 114.554 0.204 0.000 3.122 1182 T HA 0.434 4.783 4.350 -0.002 0.000 0.250 1182 T C 1.319 176.187 174.700 0.280 0.000 1.067 1182 T CA 0.661 62.873 62.100 0.186 0.000 0.966 1182 T CB 0.245 69.177 68.868 0.107 0.000 1.002 1182 T HN 0.968 nan 8.240 nan 0.000 0.542 1183 G N 1.604 110.552 108.800 0.247 0.000 2.594 1183 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.297 1183 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.297 1183 G C 0.902 175.819 174.900 0.028 0.000 1.273 1183 G CA 0.122 45.345 45.100 0.206 0.000 0.974 1183 G HN 0.722 nan 8.290 nan 0.000 0.552 1184 V N 0.748 120.549 119.914 -0.188 0.000 3.140 1184 V HA -0.044 4.075 4.120 -0.002 0.000 0.269 1184 V C 1.832 177.782 176.094 -0.240 0.000 1.149 1184 V CA 2.626 64.719 62.300 -0.345 0.000 1.162 1184 V CB -0.557 30.870 31.823 -0.660 0.000 0.756 1184 V HN 0.567 nan 8.190 nan 0.000 0.523 1185 W N -1.308 120.048 121.300 0.093 0.000 3.220 1185 W HA 0.359 5.018 4.660 -0.001 0.000 0.328 1185 W C 2.209 178.664 176.519 -0.106 0.000 1.205 1185 W CA 0.283 57.644 57.345 0.026 0.000 1.773 1185 W CB -0.491 28.974 29.460 0.008 0.000 1.086 1185 W HN 0.396 nan 8.180 nan 0.000 0.622 1186 A N 1.217 123.996 122.820 -0.068 0.000 2.042 1186 A HA -0.176 4.143 4.320 -0.002 0.000 0.222 1186 A C 2.332 179.810 177.584 -0.178 0.000 1.167 1186 A CA 2.325 54.173 52.037 -0.315 0.000 0.649 1186 A CB -1.173 17.101 19.000 -1.209 0.000 0.809 1186 A HN 0.262 nan 8.150 nan 0.000 0.457 1187 G N -0.771 107.972 108.800 -0.094 0.000 2.408 1187 G HA2 0.041 4.000 3.960 -0.002 0.000 0.217 1187 G HA3 0.041 4.000 3.960 -0.002 0.000 0.217 1187 G C 1.706 176.581 174.900 -0.041 0.000 1.150 1187 G CA 1.169 46.250 45.100 -0.030 0.000 0.776 1187 G HN 0.908 nan 8.290 nan 0.000 0.542 1188 A N 0.215 123.005 122.820 -0.050 0.000 2.093 1188 A HA 0.009 4.328 4.320 -0.002 0.000 0.222 1188 A C 2.303 179.816 177.584 -0.118 0.000 1.162 1188 A CA 1.404 53.394 52.037 -0.078 0.000 0.655 1188 A CB -0.257 18.705 19.000 -0.063 0.000 0.805 1188 A HN 0.411 nan 8.150 nan 0.000 0.461 1189 L N -2.777 118.351 121.223 -0.159 0.000 2.470 1189 L HA 0.193 4.532 4.340 -0.002 0.000 0.219 1189 L C 1.024 177.785 176.870 -0.182 0.000 1.071 1189 L CA 0.373 55.018 54.840 -0.325 0.000 0.850 1189 L CB 0.336 42.017 42.059 -0.630 0.000 1.040 1189 L HN 0.581 nan 8.230 nan 0.000 0.475 1190 Q N 0.463 120.265 119.800 0.004 0.000 2.380 1190 Q HA 0.151 4.490 4.340 -0.002 0.000 0.245 1190 Q C -0.871 175.188 176.000 0.099 0.000 0.893 1190 Q CA -0.675 55.212 55.803 0.141 0.000 0.922 1190 Q CB 1.322 30.299 28.738 0.397 0.000 1.432 1190 Q HN -0.018 nan 8.270 nan 0.000 0.434 1191 R N 2.609 123.148 120.500 0.066 0.000 2.669 1191 R HA -0.129 4.210 4.340 -0.002 0.000 0.283 1191 R C -1.113 175.230 176.300 0.072 0.000 0.851 1191 R CA 1.348 57.480 56.100 0.053 0.000 1.126 1191 R CB 0.078 30.405 30.300 0.044 0.000 0.883 1191 R HN 0.639 nan 8.270 nan 0.000 0.418 1192 D N 5.635 126.079 120.400 0.073 0.000 2.386 1192 D HA 0.204 4.843 4.640 -0.002 0.000 0.247 1192 D C -1.755 174.596 176.300 0.084 0.000 1.336 1192 D CA -1.594 52.464 54.000 0.097 0.000 0.976 1192 D CB 1.532 42.431 40.800 0.165 0.000 1.257 1192 D HN 0.247 nan 8.370 nan 0.000 0.570 1193 P HA 0.015 nan 4.420 nan 0.000 0.233 1193 P C 1.453 178.793 177.300 0.066 0.000 1.167 1193 P CA 0.225 63.361 63.100 0.060 0.000 0.770 1193 P CB 0.746 32.474 31.700 0.046 0.000 0.837 1194 L N -1.279 119.989 121.223 0.075 0.000 2.162 1194 L HA 0.058 4.397 4.340 -0.002 0.000 0.205 1194 L C 1.360 178.284 176.870 0.090 0.000 1.086 1194 L CA -0.076 54.810 54.840 0.076 0.000 0.778 1194 L CB -0.658 41.443 42.059 0.070 0.000 0.928 1194 L HN 0.003 nan 8.230 nan 0.000 0.446 1195 L N 1.262 122.556 121.223 0.118 0.000 2.477 1195 L HA 0.121 4.460 4.340 -0.002 0.000 0.272 1195 L C -0.319 176.592 176.870 0.069 0.000 1.157 1195 L CA 0.910 55.822 54.840 0.122 0.000 0.889 1195 L CB 0.212 42.374 42.059 0.171 0.000 1.158 1195 L HN 0.151 nan 8.230 nan 0.000 0.473 1196 Q N 6.315 126.119 119.800 0.007 0.000 2.416 1196 Q HA 0.496 4.835 4.340 -0.002 0.000 0.281 1196 Q C -2.610 173.224 176.000 -0.277 0.000 1.067 1196 Q CA -1.952 53.794 55.803 -0.094 0.000 0.809 1196 Q CB 2.732 31.434 28.738 -0.059 0.000 1.418 1196 Q HN 0.443 nan 8.270 nan 0.000 0.411 1197 P HA 0.084 nan 4.420 nan 0.000 0.282 1197 P C -0.463 176.545 177.300 -0.488 0.000 1.274 1197 P CA -0.037 62.602 63.100 -0.768 0.000 0.770 1197 P CB 0.604 31.298 31.700 -1.676 0.000 0.867 1198 G N 4.221 112.831 108.800 -0.317 0.000 2.857 1198 G HA2 0.158 4.117 3.960 -0.002 0.000 0.326 1198 G HA3 0.158 4.117 3.960 -0.002 0.000 0.326 1198 G C 0.300 175.022 174.900 -0.297 0.000 0.950 1198 G CA -0.538 44.264 45.100 -0.496 0.000 1.400 1198 G HN 0.462 nan 8.290 nan 0.000 0.473 1199 R N 1.335 121.693 120.500 -0.238 0.000 2.619 1199 R HA 0.293 4.632 4.340 -0.002 0.000 0.268 1199 R C 0.333 176.583 176.300 -0.084 0.000 0.990 1199 R CA 0.818 56.891 56.100 -0.046 0.000 1.092 1199 R CB 0.339 30.655 30.300 0.028 0.000 0.935 1199 R HN 0.458 nan 8.270 nan 0.000 0.415 1200 G N 2.331 111.080 108.800 -0.085 0.000 2.682 1200 G HA2 0.307 4.266 3.960 -0.002 0.000 0.300 1200 G HA3 0.307 4.266 3.960 -0.002 0.000 0.300 1200 G C -1.856 173.016 174.900 -0.046 0.000 1.391 1200 G CA -0.530 44.560 45.100 -0.015 0.000 0.990 1200 G HN 0.564 nan 8.290 nan 0.000 0.501 1201 Q N 0.459 120.261 119.800 0.003 0.000 2.321 1201 Q HA 0.655 4.995 4.340 -0.002 0.000 0.270 1201 Q C -0.766 175.234 176.000 0.001 0.000 1.032 1201 Q CA -0.805 54.994 55.803 -0.006 0.000 0.784 1201 Q CB 1.928 30.672 28.738 0.010 0.000 1.264 1201 Q HN 0.734 nan 8.270 nan 0.000 0.448 1202 I N -0.291 120.279 120.570 -0.000 0.000 3.170 1202 I HA 0.696 4.865 4.170 -0.002 0.000 0.312 1202 I C -1.177 174.941 176.117 0.002 0.000 1.085 1202 I CA -1.137 60.157 61.300 -0.009 0.000 0.999 1202 I CB 2.151 40.167 38.000 0.027 0.000 1.233 1202 I HN 0.690 nan 8.210 nan 0.000 0.467 1203 M N 2.267 121.864 119.600 -0.006 0.000 2.327 1203 M HA 0.504 4.984 4.480 -0.002 0.000 0.298 1203 M C -1.496 174.823 176.300 0.033 0.000 1.065 1203 M CA -0.641 54.674 55.300 0.025 0.000 0.916 1203 M CB 1.660 34.276 32.600 0.026 0.000 1.630 1203 M HN 0.506 nan 8.290 nan 0.000 0.442 1204 K N 3.596 124.023 120.400 0.044 0.000 2.234 1204 K HA 0.542 4.861 4.320 -0.002 0.000 0.277 1204 K C -1.333 175.297 176.600 0.051 0.000 1.038 1204 K CA -0.392 55.919 56.287 0.039 0.000 0.888 1204 K CB 1.994 34.515 32.500 0.035 0.000 1.091 1204 K HN 0.554 nan 8.250 nan 0.000 0.467 1205 V N 1.721 121.658 119.914 0.038 0.000 2.914 1205 V HA 0.222 4.341 4.120 -0.002 0.000 0.314 1205 V C -1.140 174.949 176.094 -0.008 0.000 1.084 1205 V CA -0.846 61.486 62.300 0.052 0.000 0.963 1205 V CB 2.265 34.145 31.823 0.094 0.000 1.025 1205 V HN 0.676 nan 8.190 nan 0.000 0.432 1206 D N 4.319 124.723 120.400 0.007 0.000 2.411 1206 D HA 0.600 5.239 4.640 -0.002 0.000 0.225 1206 D C -0.186 176.035 176.300 -0.131 0.000 1.156 1206 D CA 0.184 54.168 54.000 -0.027 0.000 0.874 1206 D CB 1.126 41.949 40.800 0.038 0.000 1.034 1206 D HN 0.789 nan 8.370 nan 0.000 0.502 1207 A N 5.303 127.915 122.820 -0.346 0.000 3.474 1207 A HA 0.316 4.635 4.320 -0.002 0.000 0.251 1207 A C -2.019 175.043 177.584 -0.869 0.000 1.062 1207 A CA -0.724 50.721 52.037 -0.985 0.000 0.945 1207 A CB 0.922 19.228 19.000 -1.158 0.000 1.296 1207 A HN 0.351 nan 8.150 nan 0.000 0.592 1208 P HA -0.120 nan 4.420 nan 0.000 0.234 1208 P C 1.012 178.278 177.300 -0.058 0.000 1.167 1208 P CA 0.792 63.805 63.100 -0.146 0.000 0.763 1208 P CB -0.362 31.335 31.700 -0.005 0.000 0.835 1209 W N -0.897 120.414 121.300 0.018 0.000 2.937 1209 W HA 0.229 4.888 4.660 -0.002 0.000 0.245 1209 W C 0.542 177.086 176.519 0.041 0.000 1.306 1209 W CA -0.295 57.064 57.345 0.023 0.000 1.470 1209 W CB -1.210 28.265 29.460 0.025 0.000 1.132 1209 W HN -0.279 nan 8.180 nan 0.000 0.675 1210 M N 2.855 122.242 119.600 -0.355 0.000 2.077 1210 M HA 0.203 4.682 4.480 -0.002 0.000 0.348 1210 M C 0.338 176.604 176.300 -0.057 0.000 1.252 1210 M CA 0.158 55.373 55.300 -0.142 0.000 1.096 1210 M CB 0.997 33.444 32.600 -0.255 0.000 1.568 1210 M HN -0.125 nan 8.290 nan 0.000 0.456 1211 K N 1.948 122.341 120.400 -0.011 0.000 2.455 1211 K HA 0.261 4.580 4.320 -0.002 0.000 0.206 1211 K C -0.542 175.885 176.600 -0.289 0.000 1.027 1211 K CA 0.105 56.315 56.287 -0.128 0.000 1.113 1211 K CB 0.224 32.622 32.500 -0.170 0.000 0.850 1211 K HN 0.663 nan 8.250 nan 0.000 0.503 1212 H N -0.027 119.070 119.070 0.045 0.000 2.600 1212 H HA 0.287 4.842 4.556 -0.002 0.000 0.357 1212 H C -0.567 174.764 175.328 0.006 0.000 1.106 1212 H CA -1.042 54.980 56.048 -0.043 0.000 1.193 1212 H CB 1.139 30.951 29.762 0.083 0.000 1.594 1212 H HN -0.027 nan 8.280 nan 0.000 0.526 1213 F N 1.515 121.535 119.950 0.115 0.000 2.399 1213 F HA 0.541 5.067 4.527 -0.002 0.000 0.342 1213 F C -0.750 175.102 175.800 0.087 0.000 1.106 1213 F CA -0.986 57.053 58.000 0.066 0.000 1.196 1213 F CB 0.208 39.205 39.000 -0.006 0.000 1.163 1213 F HN 0.268 nan 8.300 nan 0.000 0.547 1214 I N 5.061 125.822 120.570 0.318 0.000 2.439 1214 I HA 0.324 4.493 4.170 -0.002 0.000 0.283 1214 I C -1.165 174.980 176.117 0.047 0.000 1.023 1214 I CA -0.506 60.868 61.300 0.124 0.000 1.100 1214 I CB 1.538 39.523 38.000 -0.024 0.000 1.238 1214 I HN 0.555 nan 8.210 nan 0.000 0.445 1215 L N 6.138 127.355 121.223 -0.011 0.000 2.305 1215 L HA 0.572 4.911 4.340 -0.002 0.000 0.284 1215 L C 0.349 176.945 176.870 -0.456 0.000 1.013 1215 L CA -0.499 54.242 54.840 -0.165 0.000 0.819 1215 L CB 1.806 43.785 42.059 -0.134 0.000 1.227 1215 L HN 0.593 nan 8.230 nan 0.000 0.417 1216 T N -1.881 112.359 114.554 -0.524 0.000 2.929 1216 T HA 0.496 4.845 4.350 -0.002 0.000 0.284 1216 T C -0.366 173.922 174.700 -0.686 0.000 1.014 1216 T CA -0.764 60.928 62.100 -0.680 0.000 1.051 1216 T CB 1.299 69.770 68.868 -0.662 0.000 1.028 1216 T HN 0.485 nan 8.240 nan 0.000 0.485 1217 H N 1.504 120.344 119.070 -0.383 0.000 2.970 1217 H HA 0.345 4.900 4.556 -0.002 0.000 0.315 1217 H C -1.251 174.145 175.328 0.114 0.000 0.992 1217 H CA -0.697 55.261 56.048 -0.150 0.000 1.363 1217 H CB 1.413 31.035 29.762 -0.234 0.000 1.532 1217 H HN 0.688 nan 8.280 nan 0.000 0.514 1218 D N 4.720 125.269 120.400 0.248 0.000 2.414 1218 D HA 0.173 4.812 4.640 -0.002 0.000 0.232 1218 D C -1.994 174.424 176.300 0.196 0.000 1.070 1218 D CA -2.010 52.175 54.000 0.309 0.000 0.839 1218 D CB 2.611 43.578 40.800 0.278 0.000 1.079 1218 D HN 0.179 nan 8.370 nan 0.000 0.521 1219 P HA -0.033 nan 4.420 nan 0.000 0.221 1219 P C 0.521 177.867 177.300 0.077 0.000 1.150 1219 P CA 0.617 63.787 63.100 0.116 0.000 0.800 1219 P CB 0.352 32.118 31.700 0.110 0.000 0.787 1220 E N -0.349 119.893 120.200 0.070 0.000 2.405 1220 E HA -0.015 4.334 4.350 -0.002 0.000 0.194 1220 E C 1.234 177.871 176.600 0.062 0.000 1.149 1220 E CA 0.407 56.836 56.400 0.047 0.000 0.933 1220 E CB -0.173 29.539 29.700 0.019 0.000 1.028 1220 E HN 0.397 nan 8.360 nan 0.000 0.487 1221 R N -1.136 119.411 120.500 0.077 0.000 2.773 1221 R HA 0.189 4.528 4.340 -0.002 0.000 0.196 1221 R C 0.476 176.828 176.300 0.087 0.000 0.938 1221 R CA 0.549 56.701 56.100 0.087 0.000 1.265 1221 R CB 1.081 31.440 30.300 0.098 0.000 1.668 1221 R HN 0.186 nan 8.270 nan 0.000 0.583 1222 G N 2.116 110.949 108.800 0.056 0.000 2.699 1222 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.686 1222 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.686 1222 G C -0.468 174.378 174.900 -0.090 0.000 1.301 1222 G CA -0.420 44.678 45.100 -0.004 0.000 0.816 1222 G HN 0.169 nan 8.290 nan 0.000 0.595 1223 I N 0.972 121.388 120.570 -0.258 0.000 3.075 1223 I HA 0.137 4.306 4.170 -0.002 0.000 0.320 1223 I C 1.466 177.294 176.117 -0.482 0.000 1.211 1223 I CA 1.374 62.370 61.300 -0.508 0.000 1.463 1223 I CB -0.302 37.218 38.000 -0.800 0.000 1.308 1223 I HN 1.376 nan 8.210 nan 0.000 0.553 1224 Y N 3.012 123.209 120.300 -0.171 0.000 4.787 1224 Y HA -0.320 4.230 4.550 -0.001 0.000 0.224 1224 Y C 1.394 177.394 175.900 0.166 0.000 1.017 1224 Y CA 1.164 59.255 58.100 -0.015 0.000 1.949 1224 Y CB -2.382 36.085 38.460 0.011 0.000 1.605 1224 Y HN 0.776 nan 8.280 nan 0.000 0.587 1225 N N -0.160 118.666 118.700 0.211 0.000 2.204 1225 N HA 0.141 4.880 4.740 -0.002 0.000 0.219 1225 N C -0.424 175.171 175.510 0.141 0.000 1.151 1225 N CA 0.541 53.720 53.050 0.215 0.000 0.867 1225 N CB 0.524 39.142 38.487 0.219 0.000 1.043 1225 N HN 0.225 nan 8.380 nan 0.000 0.516 1226 S N 1.195 116.963 115.700 0.114 0.000 2.608 1226 S HA 0.532 5.001 4.470 -0.002 0.000 0.291 1226 S C -2.613 172.028 174.600 0.067 0.000 1.146 1226 S CA -1.066 57.178 58.200 0.072 0.000 1.043 1226 S CB 1.922 65.126 63.200 0.006 0.000 1.037 1226 S HN 0.085 nan 8.310 nan 0.000 0.520 1227 P HA 0.208 nan 4.420 nan 0.000 0.265 1227 P C -1.191 176.085 177.300 -0.040 0.000 1.193 1227 P CA 0.052 63.107 63.100 -0.075 0.000 0.765 1227 P CB -0.087 31.574 31.700 -0.064 0.000 0.823 1228 Y N 0.897 121.151 120.300 -0.077 0.000 2.553 1228 Y HA 0.813 5.362 4.550 -0.002 0.000 0.347 1228 Y C -1.115 174.760 175.900 -0.042 0.000 1.019 1228 Y CA -1.624 56.427 58.100 -0.081 0.000 1.032 1228 Y CB 1.305 39.717 38.460 -0.080 0.000 1.284 1228 Y HN 0.106 nan 8.280 nan 0.000 0.466 1229 I N 4.188 124.859 120.570 0.169 0.000 2.503 1229 I HA 0.391 4.560 4.170 -0.002 0.000 0.282 1229 I C -1.276 174.954 176.117 0.188 0.000 1.059 1229 I CA -0.383 60.978 61.300 0.102 0.000 1.081 1229 I CB 1.533 39.561 38.000 0.046 0.000 1.210 1229 I HN 0.592 nan 8.210 nan 0.000 0.450 1230 I N 8.180 128.857 120.570 0.179 0.000 2.437 1230 I HA 0.332 4.501 4.170 -0.002 0.000 0.279 1230 I C -2.431 173.767 176.117 0.135 0.000 1.028 1230 I CA -1.922 59.485 61.300 0.179 0.000 1.142 1230 I CB 1.548 39.627 38.000 0.132 0.000 1.266 1230 I HN 0.194 nan 8.210 nan 0.000 0.461 1231 P HA 0.065 nan 4.420 nan 0.000 0.266 1231 P C 0.345 177.756 177.300 0.184 0.000 1.215 1231 P CA 0.217 63.378 63.100 0.101 0.000 0.763 1231 P CB 0.772 32.521 31.700 0.082 0.000 0.806 1232 G N 1.654 110.537 108.800 0.137 0.000 2.641 1232 G HA2 0.211 4.170 3.960 -0.002 0.000 0.239 1232 G HA3 0.211 4.170 3.960 -0.002 0.000 0.239 1232 G C 1.042 175.986 174.900 0.074 0.000 1.402 1232 G CA -0.017 45.210 45.100 0.211 0.000 1.046 1232 G HN 0.360 nan 8.290 nan 0.000 0.565 1233 T N -1.530 113.036 114.554 0.019 0.000 2.809 1233 T HA -0.036 4.313 4.350 -0.002 0.000 0.260 1233 T C 1.974 176.600 174.700 -0.123 0.000 1.039 1233 T CA 1.620 63.610 62.100 -0.183 0.000 1.141 1233 T CB -0.134 68.654 68.868 -0.135 0.000 0.869 1233 T HN 0.255 nan 8.240 nan 0.000 0.437 1234 Q N -0.069 119.699 119.800 -0.052 0.000 2.378 1234 Q HA 0.348 4.687 4.340 -0.002 0.000 0.216 1234 Q C 0.643 176.622 176.000 -0.035 0.000 0.892 1234 Q CA 0.373 56.151 55.803 -0.041 0.000 0.931 1234 Q CB 1.030 29.757 28.738 -0.017 0.000 1.086 1234 Q HN 0.419 nan 8.270 nan 0.000 0.528 1235 T N -0.662 113.876 114.554 -0.027 0.000 2.802 1235 T HA 0.497 4.846 4.350 -0.002 0.000 0.311 1235 T C -1.538 173.148 174.700 -0.022 0.000 1.405 1235 T CA -0.453 61.632 62.100 -0.025 0.000 1.016 1235 T CB 1.704 70.572 68.868 -0.000 0.000 1.352 1235 T HN -0.239 nan 8.240 nan 0.000 0.498 1236 V N 2.792 122.681 119.914 -0.042 0.000 2.472 1236 V HA 0.494 4.613 4.120 -0.002 0.000 0.290 1236 V C 0.407 176.503 176.094 0.002 0.000 1.037 1236 V CA -0.530 61.751 62.300 -0.033 0.000 0.908 1236 V CB 1.802 33.562 31.823 -0.106 0.000 0.985 1236 V HN 1.021 nan 8.190 nan 0.000 0.454 1237 T N 6.442 121.018 114.554 0.036 0.000 2.771 1237 T HA 0.529 4.878 4.350 -0.002 0.000 0.291 1237 T C -0.503 174.205 174.700 0.013 0.000 0.954 1237 T CA -0.212 61.917 62.100 0.048 0.000 1.045 1237 T CB 0.623 69.555 68.868 0.105 0.000 0.917 1237 T HN 0.184 nan 8.240 nan 0.000 0.484 1238 L N 3.412 124.606 121.223 -0.048 0.000 2.313 1238 L HA 0.813 5.152 4.340 -0.002 0.000 0.283 1238 L C 0.598 177.294 176.870 -0.289 0.000 1.013 1238 L CA 0.160 54.909 54.840 -0.151 0.000 0.816 1238 L CB 1.362 43.367 42.059 -0.090 0.000 1.236 1238 L HN 0.886 nan 8.230 nan 0.000 0.419 1239 G N 0.633 109.026 108.800 -0.679 0.000 2.682 1239 G HA2 0.609 4.568 3.960 -0.002 0.000 0.303 1239 G HA3 0.609 4.568 3.960 -0.002 0.000 0.303 1239 G C -0.455 173.835 174.900 -1.017 0.000 1.341 1239 G CA -0.117 44.422 45.100 -0.935 0.000 0.784 1239 G HN 0.867 nan 8.290 nan 0.000 0.497 1240 G N -0.738 107.722 108.800 -0.565 0.000 2.519 1240 G HA2 0.279 4.238 3.960 -0.002 0.000 0.229 1240 G HA3 0.279 4.238 3.960 -0.002 0.000 0.229 1240 G C -0.689 174.277 174.900 0.110 0.000 1.333 1240 G CA -0.349 44.712 45.100 -0.066 0.000 0.939 1240 G HN 0.740 nan 8.290 nan 0.000 0.501 1241 I N 0.794 121.477 120.570 0.189 0.000 2.478 1241 I HA 0.598 4.767 4.170 -0.002 0.000 0.287 1241 I C -1.199 175.095 176.117 0.295 0.000 1.042 1241 I CA -1.168 60.245 61.300 0.189 0.000 1.067 1241 I CB 1.551 39.608 38.000 0.095 0.000 1.233 1241 I HN 0.180 nan 8.210 nan 0.000 0.431 1242 F N 6.219 126.247 119.950 0.131 0.000 2.562 1242 F HA 0.496 5.022 4.527 -0.002 0.000 0.319 1242 F C -0.969 174.887 175.800 0.094 0.000 1.154 1242 F CA -0.118 57.966 58.000 0.139 0.000 0.931 1242 F CB 1.562 40.701 39.000 0.232 0.000 1.198 1242 F HN 0.433 nan 8.300 nan 0.000 0.444 1243 Q N 7.281 126.757 119.800 -0.541 0.000 2.589 1243 Q HA 0.352 4.691 4.340 -0.002 0.000 0.245 1243 Q C -1.218 174.476 176.000 -0.510 0.000 0.931 1243 Q CA -0.564 55.024 55.803 -0.358 0.000 0.730 1243 Q CB 2.402 31.058 28.738 -0.138 0.000 1.315 1243 Q HN 0.685 nan 8.270 nan 0.000 0.469 1244 L N 1.570 122.487 121.223 -0.511 0.000 2.477 1244 L HA 0.207 4.546 4.340 -0.002 0.000 0.272 1244 L C 1.164 177.894 176.870 -0.232 0.000 1.157 1244 L CA 1.154 55.774 54.840 -0.368 0.000 0.889 1244 L CB 0.351 42.325 42.059 -0.140 0.000 1.158 1244 L HN 1.056 nan 8.230 nan 0.000 0.473 1245 G N 2.525 111.149 108.800 -0.293 0.000 2.213 1245 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.236 1245 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.236 1245 G C 0.287 175.033 174.900 -0.255 0.000 0.991 1245 G CA -0.094 44.871 45.100 -0.224 0.000 0.629 1245 G HN 0.606 nan 8.290 nan 0.000 0.517 1246 N N 0.288 118.824 118.700 -0.274 0.000 2.411 1246 N HA 0.374 5.113 4.740 -0.002 0.000 0.259 1246 N C 0.103 175.477 175.510 -0.226 0.000 1.103 1246 N CA -0.659 52.310 53.050 -0.135 0.000 0.954 1246 N CB 0.128 38.589 38.487 -0.043 0.000 1.085 1246 N HN 0.342 nan 8.380 nan 0.000 0.485 1247 W N 2.035 123.270 121.300 -0.108 0.000 3.151 1247 W HA 0.258 4.917 4.660 -0.002 0.000 0.424 1247 W C 0.797 177.390 176.519 0.123 0.000 1.012 1247 W CA -0.516 56.664 57.345 -0.274 0.000 2.018 1247 W CB 0.215 29.494 29.460 -0.300 0.000 1.087 1247 W HN 0.391 nan 8.180 nan 0.000 0.740 1248 S N 1.573 117.522 115.700 0.417 0.000 2.411 1248 S HA 0.066 4.535 4.470 -0.002 0.000 0.304 1248 S C 0.318 175.153 174.600 0.392 0.000 1.098 1248 S CA -0.312 58.094 58.200 0.344 0.000 1.068 1248 S CB 0.171 63.488 63.200 0.196 0.000 1.032 1248 S HN 0.257 nan 8.310 nan 0.000 0.511 1249 E N 4.622 125.085 120.200 0.437 0.000 2.110 1249 E HA 0.297 4.646 4.350 -0.002 0.000 0.300 1249 E C -0.997 175.675 176.600 0.120 0.000 1.278 1249 E CA -0.210 56.343 56.400 0.254 0.000 1.365 1249 E CB 0.055 29.977 29.700 0.371 0.000 1.283 1249 E HN 0.536 nan 8.360 nan 0.000 0.490 1250 L N 1.976 123.245 121.223 0.078 0.000 2.549 1250 L HA 0.342 4.681 4.340 -0.002 0.000 0.259 1250 L C -1.409 175.484 176.870 0.037 0.000 0.934 1250 L CA -0.771 54.103 54.840 0.057 0.000 0.865 1250 L CB 1.727 43.829 42.059 0.072 0.000 1.352 1250 L HN 0.032 nan 8.230 nan 0.000 0.410 1251 N N 2.518 121.234 118.700 0.026 0.000 2.479 1251 N HA 0.180 4.919 4.740 -0.002 0.000 0.257 1251 N C -0.766 174.764 175.510 0.033 0.000 1.232 1251 N CA 0.043 53.110 53.050 0.029 0.000 0.920 1251 N CB 0.578 39.083 38.487 0.030 0.000 1.105 1251 N HN 0.626 nan 8.380 nan 0.000 0.444 1252 N N 1.442 120.169 118.700 0.045 0.000 2.442 1252 N HA 0.179 4.918 4.740 -0.002 0.000 0.274 1252 N C 1.030 176.573 175.510 0.056 0.000 1.002 1252 N CA -0.498 52.579 53.050 0.046 0.000 0.910 1252 N CB 0.744 39.263 38.487 0.053 0.000 1.244 1252 N HN 0.440 nan 8.380 nan 0.000 0.492 1253 I N 2.207 122.790 120.570 0.021 0.000 2.315 1253 I HA -0.231 3.938 4.170 -0.002 0.000 0.251 1253 I C 1.499 177.655 176.117 0.065 0.000 1.125 1253 I CA 1.750 63.049 61.300 -0.001 0.000 1.392 1253 I CB -0.050 37.924 38.000 -0.043 0.000 1.065 1253 I HN 0.744 nan 8.210 nan 0.000 0.424 1254 Q N 0.821 120.660 119.800 0.064 0.000 2.137 1254 Q HA -0.159 4.180 4.340 -0.002 0.000 0.198 1254 Q C 1.770 177.828 176.000 0.097 0.000 0.960 1254 Q CA 1.642 57.490 55.803 0.075 0.000 0.847 1254 Q CB -0.195 28.577 28.738 0.056 0.000 0.915 1254 Q HN 0.448 nan 8.270 nan 0.000 0.448 1255 D N -1.143 119.314 120.400 0.096 0.000 2.144 1255 D HA -0.145 4.494 4.640 -0.002 0.000 0.200 1255 D C 1.586 177.954 176.300 0.114 0.000 0.978 1255 D CA 1.194 55.249 54.000 0.091 0.000 0.833 1255 D CB -0.209 40.634 40.800 0.072 0.000 0.961 1255 D HN 0.487 nan 8.370 nan 0.000 0.470 1256 H N 1.584 120.676 119.070 0.037 0.000 2.251 1256 H HA -0.148 4.407 4.556 -0.002 0.000 0.294 1256 H C 1.828 177.212 175.328 0.094 0.000 1.078 1256 H CA 2.326 58.403 56.048 0.049 0.000 1.246 1256 H CB 0.038 29.807 29.762 0.011 0.000 1.358 1256 H HN -0.041 nan 8.280 nan 0.000 0.488 1257 N N -0.305 118.566 118.700 0.286 0.000 2.069 1257 N HA -0.178 4.561 4.740 -0.002 0.000 0.196 1257 N C 1.946 177.549 175.510 0.155 0.000 1.024 1257 N CA 2.104 55.288 53.050 0.224 0.000 0.869 1257 N CB -0.920 37.670 38.487 0.171 0.000 1.035 1257 N HN 0.505 nan 8.380 nan 0.000 0.434 1258 T N 2.486 117.105 114.554 0.108 0.000 2.674 1258 T HA -0.046 4.303 4.350 -0.002 0.000 0.265 1258 T C 2.011 176.735 174.700 0.040 0.000 1.039 1258 T CA 0.723 62.867 62.100 0.073 0.000 1.150 1258 T CB -0.142 68.764 68.868 0.064 0.000 0.864 1258 T HN 0.095 nan 8.240 nan 0.000 0.427 1259 I N 0.330 120.907 120.570 0.013 0.000 2.091 1259 I HA -0.214 3.955 4.170 -0.002 0.000 0.239 1259 I C 2.303 178.412 176.117 -0.013 0.000 1.061 1259 I CA 1.504 62.777 61.300 -0.045 0.000 1.317 1259 I CB -1.277 36.676 38.000 -0.078 0.000 1.031 1259 I HN 0.526 nan 8.210 nan 0.000 0.401 1260 W N 1.834 123.027 121.300 -0.178 0.000 2.402 1260 W HA -0.181 4.478 4.660 -0.002 0.000 0.286 1260 W C 2.292 178.778 176.519 -0.055 0.000 1.221 1260 W CA 1.309 58.567 57.345 -0.145 0.000 1.257 1260 W CB 0.089 29.433 29.460 -0.192 0.000 1.120 1260 W HN 0.215 nan 8.180 nan 0.000 0.551 1261 E N -0.393 119.862 120.200 0.092 0.000 2.046 1261 E HA -0.066 4.283 4.350 -0.002 0.000 0.190 1261 E C 2.504 179.079 176.600 -0.042 0.000 0.982 1261 E CA 1.714 58.132 56.400 0.029 0.000 0.800 1261 E CB -1.026 28.729 29.700 0.091 0.000 0.756 1261 E HN 0.223 nan 8.360 nan 0.000 0.449 1262 G N -0.169 108.616 108.800 -0.024 0.000 2.450 1262 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.220 1262 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.220 1262 G C 1.593 176.450 174.900 -0.072 0.000 1.130 1262 G CA 1.115 46.200 45.100 -0.025 0.000 0.760 1262 G HN 0.335 nan 8.290 nan 0.000 0.557 1263 C N -0.574 118.634 119.300 -0.154 0.000 2.504 1263 C HA 0.100 4.559 4.460 -0.002 0.000 0.279 1263 C C 3.034 177.886 174.990 -0.230 0.000 1.358 1263 C CA 0.284 59.185 59.018 -0.195 0.000 1.747 1263 C CB -0.891 26.698 27.740 -0.251 0.000 2.037 1263 C HN 0.587 nan 8.230 nan 0.000 0.503 1264 C N 0.653 119.751 119.300 -0.337 0.000 2.440 1264 C HA -0.065 4.394 4.460 -0.002 0.000 0.278 1264 C C 2.811 177.728 174.990 -0.121 0.000 1.295 1264 C CA 0.759 59.597 59.018 -0.300 0.000 1.738 1264 C CB -1.254 26.245 27.740 -0.402 0.000 1.987 1264 C HN 0.559 nan 8.230 nan 0.000 0.492 1265 R N 0.300 120.758 120.500 -0.069 0.000 2.148 1265 R HA 0.054 4.393 4.340 -0.002 0.000 0.223 1265 R C 2.066 178.393 176.300 0.046 0.000 1.088 1265 R CA 0.675 56.776 56.100 0.003 0.000 0.985 1265 R CB -0.544 29.773 30.300 0.029 0.000 0.880 1265 R HN 0.548 nan 8.270 nan 0.000 0.451 1266 L N 0.504 121.747 121.223 0.033 0.000 2.240 1266 L HA -0.043 4.296 4.340 -0.002 0.000 0.211 1266 L C 0.022 176.964 176.870 0.119 0.000 1.106 1266 L CA 0.840 55.733 54.840 0.088 0.000 0.793 1266 L CB 0.314 42.379 42.059 0.008 0.000 0.927 1266 L HN 0.036 nan 8.230 nan 0.000 0.446 1267 E N -1.320 118.905 120.200 0.041 0.000 2.551 1267 E HA 0.185 4.534 4.350 -0.002 0.000 0.321 1267 E C -2.252 174.352 176.600 0.006 0.000 0.975 1267 E CA -1.249 55.180 56.400 0.049 0.000 0.784 1267 E CB 1.249 30.994 29.700 0.075 0.000 1.493 1267 E HN -0.154 nan 8.360 nan 0.000 0.385 1268 P HA -0.083 nan 4.420 nan 0.000 0.226 1268 P C 1.066 178.381 177.300 0.026 0.000 1.153 1268 P CA 1.173 64.269 63.100 -0.007 0.000 0.777 1268 P CB 0.156 31.853 31.700 -0.005 0.000 0.794 1269 T N -3.221 111.385 114.554 0.087 0.000 2.977 1269 T HA -0.096 4.253 4.350 -0.002 0.000 0.271 1269 T C 1.551 176.423 174.700 0.287 0.000 1.105 1269 T CA 0.624 62.824 62.100 0.166 0.000 1.116 1269 T CB -0.910 68.139 68.868 0.302 0.000 0.878 1269 T HN -0.092 nan 8.240 nan 0.000 0.509 1270 L N 0.514 121.825 121.223 0.147 0.000 2.465 1270 L HA 0.314 4.653 4.340 -0.002 0.000 0.224 1270 L C 2.302 179.133 176.870 -0.065 0.000 1.145 1270 L CA 1.056 55.914 54.840 0.029 0.000 0.834 1270 L CB -0.665 41.282 42.059 -0.186 0.000 0.944 1270 L HN 0.256 nan 8.230 nan 0.000 0.451 1271 K N -0.440 119.956 120.400 -0.007 0.000 2.155 1271 K HA 0.016 4.335 4.320 -0.002 0.000 0.203 1271 K C 0.516 177.276 176.600 0.266 0.000 1.052 1271 K CA 0.773 57.108 56.287 0.080 0.000 0.948 1271 K CB 0.085 32.628 32.500 0.073 0.000 0.728 1271 K HN 0.319 nan 8.250 nan 0.000 0.448 1272 N N 0.727 119.561 118.700 0.223 0.000 2.546 1272 N HA 0.150 4.889 4.740 -0.002 0.000 0.286 1272 N C -1.110 174.592 175.510 0.320 0.000 1.259 1272 N CA 0.016 53.203 53.050 0.229 0.000 0.939 1272 N CB 1.292 39.852 38.487 0.121 0.000 1.243 1272 N HN 0.033 nan 8.380 nan 0.000 0.511 1273 A N 0.745 123.794 122.820 0.382 0.000 2.350 1273 A HA 0.600 4.919 4.320 -0.002 0.000 0.324 1273 A C 0.033 177.812 177.584 0.325 0.000 1.118 1273 A CA -0.692 51.567 52.037 0.369 0.000 0.783 1273 A CB 1.674 20.834 19.000 0.266 0.000 1.236 1273 A HN 0.192 nan 8.150 nan 0.000 0.457 1274 R N 1.649 122.281 120.500 0.221 0.000 2.298 1274 R HA 0.417 4.756 4.340 -0.002 0.000 0.310 1274 R C -0.788 175.591 176.300 0.131 0.000 1.068 1274 R CA -0.376 55.815 56.100 0.153 0.000 0.957 1274 R CB -0.195 30.171 30.300 0.110 0.000 1.003 1274 R HN 0.602 nan 8.270 nan 0.000 0.454 1275 I N 7.060 127.686 120.570 0.094 0.000 2.347 1275 I HA 0.015 4.184 4.170 -0.002 0.000 0.294 1275 I C 0.705 176.852 176.117 0.050 0.000 1.090 1275 I CA -0.276 61.069 61.300 0.075 0.000 1.314 1275 I CB 0.631 38.633 38.000 0.004 0.000 1.423 1275 I HN 0.587 nan 8.210 nan 0.000 0.503 1276 I N 4.458 125.060 120.570 0.054 0.000 2.628 1276 I HA 0.224 4.393 4.170 -0.002 0.000 0.255 1276 I C 1.226 177.363 176.117 0.034 0.000 1.119 1276 I CA 0.652 61.974 61.300 0.038 0.000 1.448 1276 I CB -0.702 37.318 38.000 0.033 0.000 1.133 1276 I HN 0.606 nan 8.210 nan 0.000 0.438 1277 G N -0.047 108.777 108.800 0.040 0.000 2.660 1277 G HA2 0.556 4.515 3.960 -0.002 0.000 0.290 1277 G HA3 0.556 4.515 3.960 -0.002 0.000 0.290 1277 G C -1.523 173.405 174.900 0.047 0.000 1.432 1277 G CA -0.291 44.831 45.100 0.037 0.000 0.807 1277 G HN 0.027 nan 8.290 nan 0.000 0.485 1278 E N -0.465 119.760 120.200 0.043 0.000 2.321 1278 E HA 0.655 5.004 4.350 -0.002 0.000 0.278 1278 E C -0.979 175.639 176.600 0.030 0.000 0.902 1278 E CA -0.822 55.608 56.400 0.049 0.000 0.758 1278 E CB 1.747 31.495 29.700 0.080 0.000 1.213 1278 E HN 0.348 nan 8.360 nan 0.000 0.426 1279 R N 1.431 121.942 120.500 0.019 0.000 2.739 1279 R HA 0.550 4.889 4.340 -0.002 0.000 0.271 1279 R C -1.199 175.083 176.300 -0.030 0.000 1.010 1279 R CA -0.743 55.355 56.100 -0.003 0.000 0.897 1279 R CB 2.081 32.381 30.300 -0.001 0.000 1.236 1279 R HN 0.603 nan 8.270 nan 0.000 0.466 1280 T N -0.269 114.242 114.554 -0.072 0.000 2.932 1280 T HA 0.859 5.208 4.350 -0.002 0.000 0.289 1280 T C -0.323 174.215 174.700 -0.271 0.000 1.039 1280 T CA -0.642 61.365 62.100 -0.154 0.000 1.024 1280 T CB 2.222 70.996 68.868 -0.157 0.000 1.090 1280 T HN 0.711 nan 8.240 nan 0.000 0.496 1281 G N 0.551 109.092 108.800 -0.432 0.000 2.576 1281 G HA2 0.590 4.550 3.960 -0.002 0.000 0.290 1281 G HA3 0.590 4.550 3.960 -0.002 0.000 0.290 1281 G C -2.208 172.289 174.900 -0.673 0.000 1.442 1281 G CA -0.740 44.035 45.100 -0.542 0.000 0.792 1281 G HN 0.465 nan 8.290 nan 0.000 0.491 1282 F N 0.871 120.734 119.950 -0.146 0.000 2.445 1282 F HA 0.526 5.052 4.527 -0.002 0.000 0.348 1282 F C 0.880 176.520 175.800 -0.266 0.000 1.125 1282 F CA -0.959 56.867 58.000 -0.290 0.000 0.983 1282 F CB 1.812 40.517 39.000 -0.493 0.000 1.198 1282 F HN 0.130 nan 8.300 nan 0.000 0.436 1283 R N 4.180 124.652 120.500 -0.046 0.000 2.458 1283 R HA 0.116 4.455 4.340 -0.002 0.000 0.303 1283 R C -2.231 174.038 176.300 -0.052 0.000 1.013 1283 R CA -1.328 54.748 56.100 -0.040 0.000 1.026 1283 R CB 0.031 30.347 30.300 0.026 0.000 0.948 1283 R HN 0.267 nan 8.270 nan 0.000 0.417 1284 P HA -0.002 nan 4.420 nan 0.000 0.241 1284 P C -0.337 176.977 177.300 0.022 0.000 1.760 1284 P CA 0.039 63.113 63.100 -0.044 0.000 1.081 1284 P CB 0.104 31.818 31.700 0.022 0.000 1.975 1285 V N 4.022 123.959 119.914 0.037 0.000 2.521 1285 V HA 0.158 4.277 4.120 -0.002 0.000 0.286 1285 V C 1.022 177.184 176.094 0.115 0.000 1.034 1285 V CA 0.394 62.775 62.300 0.134 0.000 1.045 1285 V CB -0.197 31.736 31.823 0.184 0.000 0.974 1285 V HN 0.428 nan 8.190 nan 0.000 0.480 1286 R N 4.255 124.842 120.500 0.144 0.000 2.536 1286 R HA 0.304 4.643 4.340 -0.002 0.000 0.269 1286 R C -2.176 174.205 176.300 0.135 0.000 1.113 1286 R CA -1.415 54.756 56.100 0.118 0.000 0.948 1286 R CB 2.482 32.836 30.300 0.090 0.000 1.237 1286 R HN 0.382 nan 8.270 nan 0.000 0.441 1287 P HA -0.237 nan 4.420 nan 0.000 0.219 1287 P C -0.594 176.777 177.300 0.118 0.000 1.153 1287 P CA 1.540 64.699 63.100 0.099 0.000 0.865 1287 P CB 0.257 31.995 31.700 0.064 0.000 0.788 1288 Q N -3.078 116.782 119.800 0.100 0.000 2.590 1288 Q HA 0.492 4.831 4.340 -0.002 0.000 0.295 1288 Q C -0.912 175.121 176.000 0.055 0.000 0.973 1288 Q CA -1.039 54.832 55.803 0.113 0.000 0.768 1288 Q CB 0.704 29.491 28.738 0.081 0.000 1.479 1288 Q HN -0.177 nan 8.270 nan 0.000 0.419 1289 I N 1.296 121.907 120.570 0.069 0.000 2.588 1289 I HA 0.203 4.372 4.170 -0.002 0.000 0.283 1289 I C 0.308 176.362 176.117 -0.105 0.000 1.119 1289 I CA -0.251 61.001 61.300 -0.079 0.000 1.419 1289 I CB 0.579 38.569 38.000 -0.018 0.000 1.394 1289 I HN 0.467 nan 8.210 nan 0.000 0.562 1290 R N 6.333 126.643 120.500 -0.316 0.000 2.210 1290 R HA 0.451 4.790 4.340 -0.002 0.000 0.338 1290 R C -1.499 174.654 176.300 -0.245 0.000 1.062 1290 R CA -0.578 55.322 56.100 -0.334 0.000 0.902 1290 R CB 0.531 30.442 30.300 -0.649 0.000 1.050 1290 R HN 0.451 nan 8.270 nan 0.000 0.461 1291 L N 5.586 126.766 121.223 -0.072 0.000 2.518 1291 L HA 0.379 4.718 4.340 -0.002 0.000 0.262 1291 L C -1.510 175.378 176.870 0.031 0.000 0.982 1291 L CA -0.017 54.804 54.840 -0.031 0.000 0.873 1291 L CB 1.104 43.115 42.059 -0.079 0.000 1.198 1291 L HN 0.895 nan 8.230 nan 0.000 0.427 1292 E N 3.197 123.419 120.200 0.037 0.000 2.421 1292 E HA 0.448 4.797 4.350 -0.002 0.000 0.278 1292 E C -1.364 175.278 176.600 0.071 0.000 1.141 1292 E CA -1.157 55.275 56.400 0.052 0.000 0.880 1292 E CB 1.250 30.975 29.700 0.042 0.000 1.381 1292 E HN 0.415 nan 8.360 nan 0.000 0.436 1293 R N 0.080 120.610 120.500 0.049 0.000 2.541 1293 R HA 0.542 4.881 4.340 -0.002 0.000 0.263 1293 R C -0.412 175.922 176.300 0.056 0.000 1.112 1293 R CA -0.622 55.496 56.100 0.030 0.000 1.170 1293 R CB 0.871 31.173 30.300 0.004 0.000 1.167 1293 R HN 0.626 nan 8.270 nan 0.000 0.582 1294 E N 1.057 121.266 120.200 0.014 0.000 2.506 1294 E HA 0.046 4.395 4.350 -0.002 0.000 0.308 1294 E C -1.678 174.899 176.600 -0.038 0.000 0.931 1294 E CA -0.367 56.042 56.400 0.017 0.000 0.800 1294 E CB 1.561 31.321 29.700 0.101 0.000 1.292 1294 E HN 0.385 nan 8.360 nan 0.000 0.401 1295 Q N 2.338 122.122 119.800 -0.027 0.000 2.296 1295 Q HA 0.337 4.676 4.340 -0.002 0.000 0.262 1295 Q C -0.861 175.120 176.000 -0.032 0.000 0.981 1295 Q CA -0.117 55.665 55.803 -0.035 0.000 0.905 1295 Q CB 0.960 29.684 28.738 -0.024 0.000 1.186 1295 Q HN 0.361 nan 8.270 nan 0.000 0.399 1296 L N 3.505 124.702 121.223 -0.043 0.000 2.265 1296 L HA 0.363 4.702 4.340 -0.002 0.000 0.289 1296 L C -0.709 176.158 176.870 -0.006 0.000 1.033 1296 L CA -0.233 54.592 54.840 -0.025 0.000 0.814 1296 L CB 0.844 42.880 42.059 -0.038 0.000 1.203 1296 L HN 0.455 nan 8.230 nan 0.000 0.423 1297 R N 2.174 122.678 120.500 0.006 0.000 2.325 1297 R HA 0.192 4.532 4.340 -0.002 0.000 0.323 1297 R C 0.990 177.299 176.300 0.015 0.000 1.177 1297 R CA 0.213 56.318 56.100 0.008 0.000 1.018 1297 R CB 0.347 30.653 30.300 0.010 0.000 1.070 1297 R HN 0.665 nan 8.270 nan 0.000 0.495 1298 T N 0.081 114.642 114.554 0.012 0.000 3.022 1298 T HA 0.350 4.699 4.350 -0.002 0.000 0.250 1298 T C 0.745 175.452 174.700 0.012 0.000 1.060 1298 T CA 0.855 62.966 62.100 0.017 0.000 1.013 1298 T CB 0.285 69.165 68.868 0.019 0.000 0.982 1298 T HN 0.712 nan 8.240 nan 0.000 0.508 1299 G N 1.450 110.254 108.800 0.007 0.000 2.251 1299 G HA2 0.048 4.007 3.960 -0.002 0.000 0.058 1299 G HA3 0.048 4.007 3.960 -0.002 0.000 0.058 1299 G C -1.851 173.049 174.900 0.001 0.000 0.922 1299 G CA 0.086 45.188 45.100 0.005 0.000 1.133 1299 G HN 0.097 nan 8.290 nan 0.000 0.410 1300 P HA 0.139 nan 4.420 nan 0.000 0.220 1300 P C 0.695 177.993 177.300 -0.005 0.000 1.148 1300 P CA 2.147 65.246 63.100 -0.002 0.000 0.803 1300 P CB -0.007 31.691 31.700 -0.003 0.000 0.782 1301 S N -1.774 113.923 115.700 -0.006 0.000 2.651 1301 S HA 0.481 4.950 4.470 -0.002 0.000 0.279 1301 S C -0.580 174.014 174.600 -0.010 0.000 1.148 1301 S CA -1.023 57.171 58.200 -0.010 0.000 0.837 1301 S CB 1.204 64.397 63.200 -0.012 0.000 1.138 1301 S HN -0.202 nan 8.310 nan 0.000 0.478 1302 N N 1.622 120.312 118.700 -0.015 0.000 2.515 1302 N HA 0.589 5.328 4.740 -0.002 0.000 0.279 1302 N C -0.448 175.048 175.510 -0.023 0.000 1.164 1302 N CA -0.236 52.803 53.050 -0.018 0.000 0.982 1302 N CB 1.287 39.761 38.487 -0.022 0.000 1.170 1302 N HN 0.861 nan 8.380 nan 0.000 0.474 1303 T N -1.616 112.923 114.554 -0.026 0.000 2.824 1303 T HA 0.383 4.732 4.350 -0.002 0.000 0.280 1303 T C -0.108 174.559 174.700 -0.054 0.000 0.995 1303 T CA -0.948 61.131 62.100 -0.034 0.000 1.009 1303 T CB 1.535 70.389 68.868 -0.025 0.000 0.955 1303 T HN 0.132 nan 8.240 nan 0.000 0.452 1304 E N 1.887 122.053 120.200 -0.057 0.000 2.316 1304 E HA 0.380 4.729 4.350 -0.002 0.000 0.275 1304 E C -0.636 175.898 176.600 -0.110 0.000 1.029 1304 E CA -0.377 55.981 56.400 -0.071 0.000 0.871 1304 E CB 1.660 31.328 29.700 -0.053 0.000 1.022 1304 E HN 0.519 nan 8.360 nan 0.000 0.418 1305 V N 5.255 125.070 119.914 -0.164 0.000 2.407 1305 V HA 0.355 4.474 4.120 -0.002 0.000 0.291 1305 V C 0.111 176.042 176.094 -0.271 0.000 1.018 1305 V CA -0.622 61.498 62.300 -0.301 0.000 0.842 1305 V CB 1.202 32.699 31.823 -0.544 0.000 0.996 1305 V HN 0.483 nan 8.190 nan 0.000 0.426 1306 I N 4.858 125.290 120.570 -0.231 0.000 2.307 1306 I HA 0.398 4.567 4.170 -0.002 0.000 0.289 1306 I C -0.124 175.879 176.117 -0.189 0.000 1.021 1306 I CA -0.330 60.884 61.300 -0.143 0.000 1.224 1306 I CB 0.708 38.678 38.000 -0.049 0.000 1.376 1306 I HN 0.622 nan 8.210 nan 0.000 0.470 1307 H N 4.806 123.873 119.070 -0.006 0.000 2.525 1307 H HA 0.416 4.971 4.556 -0.001 0.000 0.339 1307 H C -0.024 175.295 175.328 -0.015 0.000 1.109 1307 H CA -0.342 55.739 56.048 0.055 0.000 1.352 1307 H CB 0.772 30.554 29.762 0.033 0.000 1.461 1307 H HN 0.415 nan 8.280 nan 0.000 0.533 1308 N N 2.618 121.422 118.700 0.174 0.000 2.976 1308 N HA 0.070 4.809 4.740 -0.002 0.000 0.220 1308 N C -2.022 173.666 175.510 0.296 0.000 1.428 1308 N CA -0.570 52.546 53.050 0.109 0.000 0.748 1308 N CB 0.081 38.623 38.487 0.092 0.000 1.484 1308 N HN 0.594 nan 8.380 nan 0.000 0.578 1309 Y N -0.906 119.442 120.300 0.079 0.000 2.689 1309 Y HA 0.706 5.255 4.550 -0.002 0.000 0.333 1309 Y C 0.414 176.152 175.900 -0.270 0.000 1.208 1309 Y CA -0.849 57.277 58.100 0.044 0.000 1.055 1309 Y CB 0.670 39.217 38.460 0.145 0.000 1.304 1309 Y HN 0.323 nan 8.280 nan 0.000 0.455 1310 G N 1.491 110.370 108.800 0.131 0.000 2.545 1310 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.279 1310 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.279 1310 G C -0.760 173.976 174.900 -0.273 0.000 1.131 1310 G CA 0.236 45.334 45.100 -0.002 0.000 1.100 1310 G HN 1.127 nan 8.290 nan 0.000 0.525 1311 H N -0.318 118.695 119.070 -0.096 0.000 2.594 1311 H HA 0.442 4.998 4.556 -0.001 0.000 0.279 1311 H C 2.172 177.118 175.328 -0.637 0.000 1.042 1311 H CA 0.864 56.678 56.048 -0.389 0.000 1.177 1311 H CB 0.557 30.142 29.762 -0.295 0.000 1.524 1311 H HN 1.232 nan 8.280 nan 0.000 0.537 1312 G N 0.967 109.669 108.800 -0.162 0.000 2.684 1312 G HA2 -0.411 3.548 3.960 -0.002 0.000 0.332 1312 G HA3 -0.411 3.548 3.960 -0.002 0.000 0.332 1312 G C 1.507 176.359 174.900 -0.080 0.000 1.306 1312 G CA 0.489 45.584 45.100 -0.008 0.000 1.002 1312 G HN 0.572 nan 8.290 nan 0.000 0.545 1313 G N -0.590 108.251 108.800 0.068 0.000 3.314 1313 G HA2 0.446 4.405 3.960 -0.002 0.000 0.238 1313 G HA3 0.446 4.405 3.960 -0.002 0.000 0.238 1313 G C 0.588 175.479 174.900 -0.014 0.000 1.184 1313 G CA 1.280 46.311 45.100 -0.115 0.000 0.806 1313 G HN 1.391 nan 8.290 nan 0.000 0.536 1314 Y N -3.330 116.900 120.300 -0.116 0.000 2.742 1314 Y HA 0.455 5.004 4.550 -0.002 0.000 0.248 1314 Y C 1.525 177.369 175.900 -0.094 0.000 1.132 1314 Y CA -1.187 56.800 58.100 -0.189 0.000 1.142 1314 Y CB -0.233 38.021 38.460 -0.344 0.000 1.222 1314 Y HN -0.076 nan 8.280 nan 0.000 0.575 1315 G N 2.019 110.711 108.800 -0.180 0.000 2.514 1315 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.217 1315 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.217 1315 G C 1.385 176.279 174.900 -0.010 0.000 1.198 1315 G CA 1.625 46.639 45.100 -0.144 0.000 0.780 1315 G HN 0.297 nan 8.290 nan 0.000 0.565 1316 L N 0.993 122.215 121.223 -0.002 0.000 1.990 1316 L HA -0.107 4.232 4.340 -0.002 0.000 0.213 1316 L C 3.167 180.151 176.870 0.189 0.000 1.072 1316 L CA 2.269 57.148 54.840 0.065 0.000 0.755 1316 L CB -1.757 40.286 42.059 -0.026 0.000 0.889 1316 L HN 0.224 nan 8.230 nan 0.000 0.432 1317 T N -0.519 114.039 114.554 0.007 0.000 2.760 1317 T HA -0.223 4.126 4.350 -0.002 0.000 0.269 1317 T C 1.889 176.576 174.700 -0.020 0.000 1.047 1317 T CA 1.635 63.597 62.100 -0.229 0.000 1.139 1317 T CB -0.069 68.438 68.868 -0.602 0.000 0.855 1317 T HN 0.263 nan 8.240 nan 0.000 0.471 1318 I N -0.288 120.360 120.570 0.131 0.000 4.323 1318 I HA 0.091 4.260 4.170 -0.002 0.000 0.328 1318 I C 2.014 178.214 176.117 0.139 0.000 1.310 1318 I CA 0.012 61.436 61.300 0.205 0.000 1.186 1318 I CB 0.181 38.373 38.000 0.319 0.000 1.130 1318 I HN 0.337 nan 8.210 nan 0.000 0.411 1319 H N -0.476 118.659 119.070 0.109 0.000 2.394 1319 H HA -0.313 4.242 4.556 -0.002 0.000 0.297 1319 H C 1.999 177.416 175.328 0.148 0.000 1.113 1319 H CA 2.320 58.409 56.048 0.068 0.000 1.277 1319 H CB -0.787 29.053 29.762 0.131 0.000 1.370 1319 H HN 0.537 nan 8.280 nan 0.000 0.506 1320 W N 2.333 123.092 121.300 -0.902 0.000 2.476 1320 W HA 0.024 4.683 4.660 -0.002 0.000 0.281 1320 W C 2.364 178.710 176.519 -0.289 0.000 1.230 1320 W CA 1.044 58.027 57.345 -0.604 0.000 1.287 1320 W CB -0.199 28.913 29.460 -0.579 0.000 1.108 1320 W HN 0.454 nan 8.180 nan 0.000 0.567 1321 G N 0.432 109.183 108.800 -0.081 0.000 2.440 1321 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.218 1321 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.218 1321 G C 1.391 175.912 174.900 -0.632 0.000 1.154 1321 G CA 1.470 46.494 45.100 -0.125 0.000 0.767 1321 G HN 0.322 nan 8.290 nan 0.000 0.552 1322 C N 0.817 119.761 119.300 -0.593 0.000 2.450 1322 C HA 0.309 4.768 4.460 -0.002 0.000 0.279 1322 C C 3.480 178.173 174.990 -0.496 0.000 1.335 1322 C CA 0.552 59.139 59.018 -0.718 0.000 1.749 1322 C CB -0.844 26.684 27.740 -0.353 0.000 1.963 1322 C HN 0.554 nan 8.230 nan 0.000 0.501 1323 A N 0.330 122.893 122.820 -0.429 0.000 1.968 1323 A HA 0.028 4.347 4.320 -0.002 0.000 0.217 1323 A C 2.098 179.400 177.584 -0.470 0.000 1.169 1323 A CA 1.084 52.877 52.037 -0.406 0.000 0.638 1323 A CB -0.469 18.277 19.000 -0.423 0.000 0.812 1323 A HN 0.605 nan 8.150 nan 0.000 0.446 1324 L N -0.811 120.063 121.223 -0.582 0.000 2.109 1324 L HA -0.131 4.208 4.340 -0.002 0.000 0.207 1324 L C 2.552 179.285 176.870 -0.228 0.000 1.086 1324 L CA 1.575 56.157 54.840 -0.430 0.000 0.760 1324 L CB -0.303 41.508 42.059 -0.413 0.000 0.910 1324 L HN 0.458 nan 8.230 nan 0.000 0.437 1325 E N 0.544 120.582 120.200 -0.271 0.000 2.274 1325 E HA -0.126 4.223 4.350 -0.002 0.000 0.194 1325 E C 1.874 178.407 176.600 -0.111 0.000 0.996 1325 E CA 1.200 57.504 56.400 -0.161 0.000 0.840 1325 E CB 0.122 29.636 29.700 -0.310 0.000 0.772 1325 E HN 0.356 nan 8.360 nan 0.000 0.491 1326 A N 0.225 122.955 122.820 -0.150 0.000 1.997 1326 A HA 0.363 4.682 4.320 -0.002 0.000 0.212 1326 A C 2.314 179.904 177.584 0.011 0.000 1.178 1326 A CA 0.922 52.912 52.037 -0.079 0.000 0.698 1326 A CB -0.489 18.442 19.000 -0.114 0.000 0.842 1326 A HN 0.319 nan 8.150 nan 0.000 0.458 1327 A N 0.117 122.944 122.820 0.013 0.000 2.015 1327 A HA -0.096 4.223 4.320 -0.002 0.000 0.219 1327 A C 2.052 179.812 177.584 0.293 0.000 1.163 1327 A CA 1.816 53.968 52.037 0.192 0.000 0.646 1327 A CB -0.350 18.735 19.000 0.141 0.000 0.806 1327 A HN 0.512 nan 8.150 nan 0.000 0.448 1328 K N -0.148 120.336 120.400 0.141 0.000 1.984 1328 K HA -0.029 4.290 4.320 -0.002 0.000 0.209 1328 K C 1.818 178.483 176.600 0.107 0.000 1.046 1328 K CA 1.392 57.758 56.287 0.131 0.000 0.934 1328 K CB -0.328 32.215 32.500 0.073 0.000 0.717 1328 K HN 0.460 nan 8.250 nan 0.000 0.438 1329 L N 0.315 121.583 121.223 0.075 0.000 2.131 1329 L HA -0.167 4.172 4.340 -0.002 0.000 0.210 1329 L C 2.379 179.275 176.870 0.043 0.000 1.092 1329 L CA 0.804 55.672 54.840 0.047 0.000 0.759 1329 L CB -0.474 41.606 42.059 0.036 0.000 0.903 1329 L HN 0.214 nan 8.230 nan 0.000 0.435 1330 F N 1.172 121.069 119.950 -0.089 0.000 2.202 1330 F HA -0.131 4.395 4.527 -0.002 0.000 0.301 1330 F C 2.121 177.760 175.800 -0.269 0.000 1.082 1330 F CA 1.295 59.184 58.000 -0.186 0.000 1.313 1330 F CB -0.491 38.371 39.000 -0.229 0.000 1.024 1330 F HN -0.032 nan 8.300 nan 0.000 0.495 1331 G N 0.589 109.278 108.800 -0.184 0.000 2.404 1331 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.214 1331 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.214 1331 G C 1.741 176.532 174.900 -0.181 0.000 1.189 1331 G CA 0.530 45.521 45.100 -0.183 0.000 0.789 1331 G HN 0.179 nan 8.290 nan 0.000 0.533 1332 R N 0.714 121.159 120.500 -0.092 0.000 2.136 1332 R HA -0.150 4.189 4.340 -0.002 0.000 0.242 1332 R C 2.479 178.696 176.300 -0.137 0.000 1.131 1332 R CA 1.379 57.431 56.100 -0.079 0.000 0.937 1332 R CB -1.487 28.788 30.300 -0.042 0.000 0.863 1332 R HN 0.451 nan 8.270 nan 0.000 0.435 1333 I N 1.237 121.693 120.570 -0.189 0.000 2.121 1333 I HA -0.368 3.801 4.170 -0.002 0.000 0.243 1333 I C 2.562 178.516 176.117 -0.272 0.000 1.047 1333 I CA 1.721 62.881 61.300 -0.233 0.000 1.308 1333 I CB -0.432 37.386 38.000 -0.303 0.000 1.015 1333 I HN 0.087 nan 8.210 nan 0.000 0.410 1334 L N 0.250 121.237 121.223 -0.392 0.000 2.042 1334 L HA -0.237 4.102 4.340 -0.002 0.000 0.210 1334 L C 2.719 179.479 176.870 -0.183 0.000 1.076 1334 L CA 1.897 56.533 54.840 -0.339 0.000 0.749 1334 L CB -0.900 40.907 42.059 -0.421 0.000 0.893 1334 L HN 0.442 nan 8.230 nan 0.000 0.432 1335 E N 0.818 120.935 120.200 -0.138 0.000 2.015 1335 E HA -0.259 4.090 4.350 -0.002 0.000 0.191 1335 E C 1.806 178.363 176.600 -0.072 0.000 0.991 1335 E CA 1.429 57.781 56.400 -0.080 0.000 0.802 1335 E CB -0.405 29.264 29.700 -0.052 0.000 0.759 1335 E HN 0.528 nan 8.360 nan 0.000 0.447 1336 E N 1.112 121.266 120.200 -0.076 0.000 2.070 1336 E HA -0.148 4.201 4.350 -0.002 0.000 0.197 1336 E C 1.698 178.259 176.600 -0.065 0.000 1.004 1336 E CA 1.262 57.625 56.400 -0.063 0.000 0.805 1336 E CB -0.018 29.644 29.700 -0.062 0.000 0.744 1336 E HN 0.121 nan 8.360 nan 0.000 0.451 1337 K N 1.186 121.534 120.400 -0.087 0.000 2.668 1337 K HA 0.012 4.331 4.320 -0.002 0.000 0.204 1337 K C -0.398 176.160 176.600 -0.071 0.000 1.016 1337 K CA 0.151 56.389 56.287 -0.081 0.000 1.131 1337 K CB -0.167 32.270 32.500 -0.105 0.000 0.891 1337 K HN 0.130 nan 8.250 nan 0.000 0.499 1338 K N 0.671 121.034 120.400 -0.061 0.000 4.040 1338 K HA -0.193 4.126 4.320 -0.002 0.000 0.279 1338 K C 0.074 176.643 176.600 -0.052 0.000 0.890 1338 K CA 0.162 56.420 56.287 -0.049 0.000 0.782 1338 K CB -0.594 31.885 32.500 -0.036 0.000 1.613 1338 K HN 0.070 nan 8.250 nan 0.000 0.440 1339 L N -0.353 120.831 121.223 -0.065 0.000 3.902 1339 L HA 0.073 4.412 4.340 -0.002 0.000 0.375 1339 L C 0.542 177.377 176.870 -0.058 0.000 1.252 1339 L CA 0.426 55.228 54.840 -0.063 0.000 1.221 1339 L CB 0.743 42.752 42.059 -0.083 0.000 1.484 1339 L HN 0.356 nan 8.230 nan 0.000 0.620 1340 S N 0.000 115.670 115.700 -0.050 0.000 2.498 1340 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 1340 S CA 0.000 58.188 58.200 -0.021 0.000 1.107 1340 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 1340 S HN 0.000 nan 8.310 nan 0.000 0.517