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 2ha9_1_B DATA FIRST_RESID 0 DATA SEQUENCE AXDIRQVTET IAXIEEQNFD IRTITXGISL LDCIDPDINR AAEKIYQKIT DATA SEQUENCE TKAANLVAVG DEIAAELGIP IVNKRVSVTP ISLIGAATDA TDYVVLAKAL DATA SEQUENCE DKAAKEIGVD FIGGFSALVQ KGYQKGDEIL INSIPRALAE TDKVCSSVNI DATA SEQUENCE GSTKSGINXT AVADXGRIIK ETANLSDXGV AKLVVFANAV XDNPXXAGAF DATA SEQUENCE HGVGEADVII NVGVSGPGVV KRALEKVRGQ SFDVVAETVK KTAFKITRIG DATA SEQUENCE QLVGQXASER LGVEFGIVDL SLAPXXXVGD SVARVLEEXG LETVGTHGTT DATA SEQUENCE AALALLNDQV KKGGVXACNQ XXXXXXXXXX XXEDEGXIAA VQNGSLNLEK DATA SEQUENCE LEAXTAICSX XXDXIAIPED TPAETIAAXI ADEAAIGVIN XKTTAVRIIP DATA SEQUENCE KGKEGDXIEF XXXXXXAPVX KVNGASSVDF ISRGGQIPAP I 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.532 177.584 -0.087 0.000 1.274 0 A CA 0.000 51.973 52.037 -0.107 0.000 0.836 0 A CB 0.000 18.934 19.000 -0.110 0.000 0.831 3 I N -1.296 119.270 120.570 -0.007 0.000 2.226 3 I HA -0.059 4.111 4.170 -0.000 0.000 0.245 3 I C 2.262 178.376 176.117 -0.005 0.000 1.100 3 I CA 1.310 62.605 61.300 -0.008 0.000 1.374 3 I CB -1.778 36.218 38.000 -0.006 0.000 1.057 3 I HN 0.605 nan 8.210 nan 0.000 0.413 4 R N 1.538 122.039 120.500 0.002 0.000 2.113 4 R HA -0.238 4.102 4.340 -0.000 0.000 0.244 4 R C 2.399 178.704 176.300 0.009 0.000 1.142 4 R CA 2.216 58.321 56.100 0.008 0.000 0.953 4 R CB -0.811 29.497 30.300 0.014 0.000 0.860 4 R HN 0.599 nan 8.270 nan 0.000 0.438 5 Q N -0.369 119.434 119.800 0.004 0.000 2.245 5 Q HA -0.032 4.308 4.340 -0.000 0.000 0.201 5 Q C 1.881 177.864 176.000 -0.028 0.000 0.955 5 Q CA 1.389 57.192 55.803 -0.001 0.000 0.870 5 Q CB 0.331 29.067 28.738 -0.003 0.000 0.945 5 Q HN 0.359 nan 8.270 nan 0.000 0.461 6 V N 0.119 120.014 119.914 -0.033 0.000 2.379 6 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 6 V C 2.265 178.337 176.094 -0.038 0.000 1.044 6 V CA 2.018 64.289 62.300 -0.048 0.000 1.036 6 V CB -0.739 31.059 31.823 -0.042 0.000 0.664 6 V HN 0.333 nan 8.190 nan 0.000 0.453 7 T N -0.662 113.880 114.554 -0.021 0.000 2.777 7 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 7 T C 1.895 176.591 174.700 -0.005 0.000 1.040 7 T CA 1.719 63.812 62.100 -0.011 0.000 1.141 7 T CB -0.145 68.721 68.868 -0.004 0.000 0.868 7 T HN 0.524 nan 8.240 nan 0.000 0.444 8 E N -0.113 120.088 120.200 0.000 0.000 2.204 8 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 8 E C 2.194 178.789 176.600 -0.009 0.000 0.989 8 E CA 1.041 57.449 56.400 0.014 0.000 0.824 8 E CB 0.090 29.812 29.700 0.037 0.000 0.756 8 E HN 0.346 nan 8.360 nan 0.000 0.477 9 T N 1.349 115.878 114.554 -0.043 0.000 2.812 9 T HA -0.074 4.276 4.350 -0.000 0.000 0.264 9 T C 1.880 176.540 174.700 -0.065 0.000 1.042 9 T CA 1.065 63.111 62.100 -0.088 0.000 1.140 9 T CB -0.132 68.657 68.868 -0.131 0.000 0.870 9 T HN 0.344 nan 8.240 nan 0.000 0.445 10 I N 0.506 121.052 120.570 -0.041 0.000 2.614 10 I HA 0.173 4.343 4.170 -0.000 0.000 0.258 10 I C 1.415 177.533 176.117 0.002 0.000 1.189 10 I CA 0.163 61.449 61.300 -0.023 0.000 1.462 10 I CB -1.236 36.751 38.000 -0.021 0.000 1.092 10 I HN 0.033 nan 8.210 nan 0.000 0.442 14 E N 2.667 122.929 120.200 0.103 0.000 2.122 14 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 14 E C 1.562 178.202 176.600 0.067 0.000 0.977 14 E CA 1.334 57.776 56.400 0.070 0.000 0.820 14 E CB 0.036 29.763 29.700 0.046 0.000 0.770 14 E HN 0.718 nan 8.360 nan 0.000 0.462 15 E N 1.097 121.350 120.200 0.088 0.000 2.478 15 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 15 E C 0.452 177.068 176.600 0.027 0.000 1.045 15 E CA 0.337 56.771 56.400 0.057 0.000 0.868 15 E CB 0.427 30.164 29.700 0.062 0.000 0.885 15 E HN 0.134 nan 8.360 nan 0.000 0.505 16 Q N -0.231 119.585 119.800 0.027 0.000 2.615 16 Q HA 0.393 4.732 4.340 -0.000 0.000 0.298 16 Q C -1.376 174.476 176.000 -0.247 0.000 1.023 16 Q CA -0.887 54.813 55.803 -0.171 0.000 0.768 16 Q CB 1.919 30.436 28.738 -0.368 0.000 1.500 16 Q HN -0.008 nan 8.270 nan 0.000 0.441 17 N N 1.103 119.550 118.700 -0.421 0.000 2.518 17 N HA 0.403 5.143 4.740 -0.000 0.000 0.254 17 N C -1.485 173.773 175.510 -0.419 0.000 0.979 17 N CA -0.005 52.872 53.050 -0.287 0.000 0.930 17 N CB 0.710 39.112 38.487 -0.143 0.000 1.152 17 N HN 0.290 nan 8.380 nan 0.000 0.505 18 F N 0.807 120.753 119.950 -0.005 0.000 2.509 18 F HA 0.492 5.020 4.527 0.001 0.000 0.334 18 F C 0.741 176.536 175.800 -0.008 0.000 1.060 18 F CA -0.553 57.442 58.000 -0.008 0.000 0.997 18 F CB 1.474 40.465 39.000 -0.015 0.000 1.271 18 F HN 0.285 nan 8.300 nan 0.000 0.488 19 D N -0.045 120.478 120.400 0.205 0.000 2.654 19 D HA 0.254 4.894 4.640 -0.000 0.000 0.231 19 D C -1.610 174.741 176.300 0.084 0.000 1.239 19 D CA -0.430 53.633 54.000 0.104 0.000 0.790 19 D CB 2.100 42.939 40.800 0.065 0.000 1.480 19 D HN 0.066 nan 8.370 nan 0.000 0.442 20 I N 1.738 122.341 120.570 0.054 0.000 2.371 20 I HA 0.201 4.371 4.170 -0.000 0.000 0.290 20 I C 1.902 178.045 176.117 0.043 0.000 1.028 20 I CA -0.262 61.062 61.300 0.040 0.000 1.345 20 I CB 1.068 39.082 38.000 0.023 0.000 1.407 20 I HN 0.553 nan 8.210 nan 0.000 0.501 21 R N 3.089 123.616 120.500 0.045 0.000 2.055 21 R HA -0.011 4.329 4.340 -0.000 0.000 0.226 21 R C 0.532 176.860 176.300 0.047 0.000 1.135 21 R CA 1.080 57.207 56.100 0.045 0.000 0.959 21 R CB 0.348 30.674 30.300 0.044 0.000 0.854 21 R HN 0.706 nan 8.270 nan 0.000 0.431 22 T N -1.021 113.561 114.554 0.046 0.000 2.883 22 T HA 0.508 4.858 4.350 -0.000 0.000 0.301 22 T C -1.325 173.403 174.700 0.047 0.000 1.158 22 T CA -0.731 61.399 62.100 0.050 0.000 1.007 22 T CB 1.303 70.204 68.868 0.054 0.000 1.186 22 T HN 0.043 nan 8.240 nan 0.000 0.499 23 I N 3.186 123.783 120.570 0.045 0.000 2.389 23 I HA 0.398 4.568 4.170 -0.000 0.000 0.288 23 I C 0.186 176.330 176.117 0.044 0.000 0.999 23 I CA -0.525 60.803 61.300 0.047 0.000 1.129 23 I CB 2.081 40.101 38.000 0.034 0.000 1.288 23 I HN 0.611 nan 8.210 nan 0.000 0.444 27 I N 1.235 121.535 120.570 -0.450 0.000 2.378 27 I HA 0.502 4.672 4.170 -0.000 0.000 0.291 27 I C 0.891 177.037 176.117 0.048 0.000 0.992 27 I CA -1.492 59.676 61.300 -0.220 0.000 1.154 27 I CB 1.083 39.046 38.000 -0.061 0.000 1.315 27 I HN 0.428 nan 8.210 nan 0.000 0.448 28 S N 5.051 120.880 115.700 0.216 0.000 2.549 28 S HA 0.331 4.801 4.470 -0.000 0.000 0.286 28 S C 0.919 175.589 174.600 0.117 0.000 1.314 28 S CA -0.043 58.305 58.200 0.247 0.000 1.062 28 S CB 0.330 63.637 63.200 0.179 0.000 0.865 28 S HN 0.546 nan 8.310 nan 0.000 0.498 29 L N 4.968 126.248 121.223 0.096 0.000 2.858 29 L HA 0.148 4.488 4.340 -0.000 0.000 0.251 29 L C 1.323 178.215 176.870 0.036 0.000 1.149 29 L CA -0.266 54.608 54.840 0.057 0.000 0.955 29 L CB -0.127 41.964 42.059 0.053 0.000 1.289 29 L HN 0.508 nan 8.230 nan 0.000 0.542 30 L N 1.537 122.781 121.223 0.035 0.000 2.082 30 L HA -0.293 4.047 4.340 -0.000 0.000 0.223 30 L C 2.160 179.038 176.870 0.013 0.000 1.086 30 L CA 2.369 57.218 54.840 0.016 0.000 0.793 30 L CB -1.002 41.066 42.059 0.015 0.000 0.896 30 L HN 0.522 nan 8.230 nan 0.000 0.441 31 D N -2.515 117.898 120.400 0.021 0.000 2.378 31 D HA -0.116 4.524 4.640 -0.000 0.000 0.227 31 D C 1.524 177.833 176.300 0.014 0.000 1.012 31 D CA 0.491 54.501 54.000 0.016 0.000 0.905 31 D CB -0.835 39.976 40.800 0.018 0.000 0.895 31 D HN 0.353 nan 8.370 nan 0.000 0.532 32 C N 0.478 119.787 119.300 0.015 0.000 2.693 32 C HA 0.378 4.838 4.460 -0.000 0.000 0.286 32 C C 0.960 175.952 174.990 0.004 0.000 1.277 32 C CA -0.944 58.083 59.018 0.015 0.000 1.705 32 C CB -1.560 26.194 27.740 0.023 0.000 1.879 32 C HN 0.307 nan 8.230 nan 0.000 0.607 33 I N 2.268 122.836 120.570 -0.003 0.000 2.618 33 I HA 0.089 4.259 4.170 -0.000 0.000 0.284 33 I C 0.041 176.152 176.117 -0.009 0.000 1.146 33 I CA 1.318 62.610 61.300 -0.015 0.000 1.425 33 I CB 0.188 38.177 38.000 -0.018 0.000 1.383 33 I HN 0.310 nan 8.210 nan 0.000 0.562 34 D N 8.414 128.806 120.400 -0.014 0.000 2.934 34 D HA 0.251 4.891 4.640 -0.000 0.000 0.230 34 D C -2.062 174.232 176.300 -0.010 0.000 1.204 34 D CA -1.414 52.582 54.000 -0.007 0.000 0.873 34 D CB 3.030 43.830 40.800 -0.000 0.000 1.645 34 D HN 0.167 nan 8.370 nan 0.000 0.502 35 P HA -0.016 nan 4.420 nan 0.000 0.226 35 P C 0.145 177.448 177.300 0.005 0.000 1.153 35 P CA 0.466 63.566 63.100 -0.001 0.000 0.777 35 P CB 0.472 32.174 31.700 0.003 0.000 0.794 36 D N 0.302 120.705 120.400 0.006 0.000 2.396 36 D HA 0.089 4.729 4.640 -0.000 0.000 0.225 36 D C 1.106 177.412 176.300 0.010 0.000 1.121 36 D CA -0.551 53.456 54.000 0.010 0.000 0.853 36 D CB 0.386 41.192 40.800 0.010 0.000 1.043 36 D HN -0.077 nan 8.370 nan 0.000 0.500 37 I N 4.086 124.666 120.570 0.016 0.000 2.361 37 I HA -0.264 3.906 4.170 -0.000 0.000 0.251 37 I C 1.502 177.631 176.117 0.019 0.000 1.133 37 I CA 0.748 62.057 61.300 0.015 0.000 1.413 37 I CB 0.179 38.203 38.000 0.040 0.000 1.073 37 I HN 0.370 nan 8.210 nan 0.000 0.424 38 N N 0.726 119.439 118.700 0.020 0.000 2.188 38 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 38 N C 1.812 177.330 175.510 0.014 0.000 1.018 38 N CA 0.857 53.916 53.050 0.016 0.000 0.858 38 N CB -0.340 38.154 38.487 0.011 0.000 0.989 38 N HN 0.378 nan 8.380 nan 0.000 0.426 39 R N 1.196 121.704 120.500 0.013 0.000 2.096 39 R HA 0.004 4.344 4.340 -0.000 0.000 0.235 39 R C 2.132 178.443 176.300 0.019 0.000 1.127 39 R CA 1.026 57.134 56.100 0.014 0.000 0.968 39 R CB -0.530 29.777 30.300 0.011 0.000 0.861 39 R HN 0.222 nan 8.270 nan 0.000 0.440 40 A N 1.054 123.883 122.820 0.014 0.000 1.930 40 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 40 A C 2.387 179.989 177.584 0.031 0.000 1.175 40 A CA 1.602 53.648 52.037 0.014 0.000 0.627 40 A CB -0.470 18.525 19.000 -0.008 0.000 0.815 40 A HN 0.356 nan 8.150 nan 0.000 0.443 41 A N -0.437 122.403 122.820 0.034 0.000 1.908 41 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 41 A C 2.012 179.641 177.584 0.075 0.000 1.181 41 A CA 2.170 54.238 52.037 0.051 0.000 0.627 41 A CB -0.441 18.581 19.000 0.036 0.000 0.818 41 A HN 0.437 nan 8.150 nan 0.000 0.445 42 E N 0.270 120.503 120.200 0.056 0.000 2.072 42 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 42 E C 1.963 178.635 176.600 0.119 0.000 0.985 42 E CA 1.481 57.929 56.400 0.079 0.000 0.801 42 E CB -0.245 29.478 29.700 0.038 0.000 0.750 42 E HN 0.666 nan 8.360 nan 0.000 0.452 43 K N 0.054 120.500 120.400 0.077 0.000 2.009 43 K HA -0.122 4.198 4.320 -0.000 0.000 0.210 43 K C 2.338 178.982 176.600 0.073 0.000 1.049 43 K CA 1.571 57.898 56.287 0.067 0.000 0.929 43 K CB -0.368 32.156 32.500 0.040 0.000 0.714 43 K HN 0.128 nan 8.250 nan 0.000 0.440 44 I N 0.331 120.947 120.570 0.077 0.000 2.113 44 I HA -0.385 3.785 4.170 -0.000 0.000 0.242 44 I C 2.439 178.611 176.117 0.092 0.000 1.057 44 I CA 1.682 63.029 61.300 0.078 0.000 1.314 44 I CB -0.341 37.710 38.000 0.085 0.000 1.022 44 I HN 0.195 nan 8.210 nan 0.000 0.408 45 Y N 1.261 121.570 120.300 0.016 0.000 2.114 45 Y HA -0.309 4.241 4.550 -0.000 0.000 0.284 45 Y C 2.711 178.617 175.900 0.010 0.000 1.143 45 Y CA 1.677 59.785 58.100 0.013 0.000 1.135 45 Y CB -0.210 38.256 38.460 0.010 0.000 0.980 45 Y HN 0.138 nan 8.280 nan 0.000 0.499 46 Q N 0.628 120.476 119.800 0.079 0.000 2.167 46 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 46 Q C 2.237 178.190 176.000 -0.078 0.000 0.970 46 Q CA 1.729 57.532 55.803 -0.000 0.000 0.855 46 Q CB -0.319 28.460 28.738 0.069 0.000 0.911 46 Q HN 0.537 nan 8.270 nan 0.000 0.438 47 K N 0.423 120.800 120.400 -0.038 0.000 2.062 47 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 47 K C 2.058 178.611 176.600 -0.079 0.000 1.051 47 K CA 0.678 56.939 56.287 -0.042 0.000 0.941 47 K CB -0.039 32.456 32.500 -0.009 0.000 0.719 47 K HN 0.082 nan 8.250 nan 0.000 0.440 48 I N 1.167 121.673 120.570 -0.107 0.000 2.394 48 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 48 I C 2.127 178.148 176.117 -0.161 0.000 1.136 48 I CA 1.511 62.744 61.300 -0.111 0.000 1.425 48 I CB -0.268 37.675 38.000 -0.095 0.000 1.079 48 I HN 0.394 nan 8.210 nan 0.000 0.425 49 T N -3.254 111.139 114.554 -0.269 0.000 2.985 49 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 49 T C 1.730 176.340 174.700 -0.149 0.000 1.076 49 T CA 1.260 63.197 62.100 -0.271 0.000 1.135 49 T CB -0.457 68.131 68.868 -0.466 0.000 0.890 49 T HN 0.182 nan 8.240 nan 0.000 0.480 50 T N 2.135 116.618 114.554 -0.118 0.000 2.668 50 T HA 0.020 4.370 4.350 -0.000 0.000 0.258 50 T C 1.994 176.661 174.700 -0.055 0.000 1.051 50 T CA 0.702 62.762 62.100 -0.068 0.000 1.155 50 T CB -0.130 68.710 68.868 -0.048 0.000 0.864 50 T HN 0.234 nan 8.240 nan 0.000 0.413 51 K N 1.844 122.212 120.400 -0.053 0.000 2.147 51 K HA 0.117 4.437 4.320 -0.000 0.000 0.205 51 K C 1.960 178.533 176.600 -0.044 0.000 1.049 51 K CA 1.094 57.356 56.287 -0.042 0.000 0.936 51 K CB -0.463 32.013 32.500 -0.040 0.000 0.722 51 K HN 0.383 nan 8.250 nan 0.000 0.446 52 A N 0.253 123.040 122.820 -0.055 0.000 2.430 52 A HA 0.426 4.746 4.320 -0.000 0.000 0.243 52 A C 2.002 179.558 177.584 -0.045 0.000 1.254 52 A CA 0.724 52.733 52.037 -0.046 0.000 0.914 52 A CB -0.055 18.917 19.000 -0.047 0.000 0.998 52 A HN 0.148 nan 8.150 nan 0.000 0.515 53 A N 1.316 124.106 122.820 -0.051 0.000 1.954 53 A HA -0.268 4.052 4.320 -0.000 0.000 0.222 53 A C 1.713 179.279 177.584 -0.030 0.000 1.199 53 A CA 2.104 54.115 52.037 -0.044 0.000 0.657 53 A CB -0.480 18.496 19.000 -0.040 0.000 0.823 53 A HN 0.571 nan 8.150 nan 0.000 0.463 54 N N -0.949 117.736 118.700 -0.025 0.000 2.236 54 N HA 0.151 4.891 4.740 -0.000 0.000 0.196 54 N C 1.451 176.951 175.510 -0.016 0.000 1.114 54 N CA 0.045 53.084 53.050 -0.018 0.000 0.859 54 N CB 0.140 38.618 38.487 -0.015 0.000 0.982 54 N HN 0.473 nan 8.380 nan 0.000 0.493 55 L N 1.043 122.256 121.223 -0.017 0.000 2.034 55 L HA -0.236 4.104 4.340 -0.000 0.000 0.217 55 L C 1.792 178.656 176.870 -0.009 0.000 1.077 55 L CA 1.660 56.493 54.840 -0.012 0.000 0.769 55 L CB -0.149 41.902 42.059 -0.014 0.000 0.890 55 L HN -0.029 nan 8.230 nan 0.000 0.435 56 V N -0.919 118.988 119.914 -0.011 0.000 2.535 56 V HA -0.115 4.005 4.120 -0.000 0.000 0.246 56 V C 2.674 178.762 176.094 -0.009 0.000 1.045 56 V CA 1.243 63.537 62.300 -0.009 0.000 1.058 56 V CB -0.894 30.921 31.823 -0.013 0.000 0.689 56 V HN 0.505 nan 8.190 nan 0.000 0.461 57 A N 0.416 123.230 122.820 -0.011 0.000 1.865 57 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 57 A C 2.429 180.008 177.584 -0.010 0.000 1.191 57 A CA 2.375 54.406 52.037 -0.010 0.000 0.623 57 A CB -0.844 18.149 19.000 -0.011 0.000 0.826 57 A HN 0.305 nan 8.150 nan 0.000 0.444 58 V N -0.087 119.821 119.914 -0.010 0.000 2.307 58 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 58 V C 2.848 178.935 176.094 -0.011 0.000 1.045 58 V CA 1.919 64.212 62.300 -0.011 0.000 1.024 58 V CB -1.484 30.332 31.823 -0.011 0.000 0.651 58 V HN 0.648 nan 8.190 nan 0.000 0.449 59 G N -0.452 108.343 108.800 -0.008 0.000 2.503 59 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.221 59 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.221 59 G C 1.283 176.180 174.900 -0.006 0.000 1.131 59 G CA 1.295 46.392 45.100 -0.005 0.000 0.756 59 G HN 0.500 nan 8.290 nan 0.000 0.572 60 D N 0.193 120.589 120.400 -0.006 0.000 2.162 60 D HA 0.004 4.644 4.640 -0.000 0.000 0.203 60 D C 2.472 178.768 176.300 -0.007 0.000 0.967 60 D CA 0.612 54.609 54.000 -0.005 0.000 0.840 60 D CB -0.170 40.627 40.800 -0.005 0.000 0.972 60 D HN 0.437 nan 8.370 nan 0.000 0.482 61 E N 0.432 120.627 120.200 -0.009 0.000 2.085 61 E HA -0.143 4.206 4.350 -0.000 0.000 0.194 61 E C 2.266 178.858 176.600 -0.013 0.000 0.994 61 E CA 0.661 57.055 56.400 -0.011 0.000 0.801 61 E CB 0.027 29.720 29.700 -0.012 0.000 0.743 61 E HN 0.309 nan 8.360 nan 0.000 0.453 62 I N 0.746 121.307 120.570 -0.016 0.000 2.252 62 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 62 I C 2.555 178.662 176.117 -0.017 0.000 1.102 62 I CA 0.883 62.170 61.300 -0.022 0.000 1.385 62 I CB -0.543 37.439 38.000 -0.029 0.000 1.064 62 I HN 0.106 nan 8.210 nan 0.000 0.414 63 A N 1.173 123.987 122.820 -0.010 0.000 1.877 63 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 63 A C 2.610 180.193 177.584 -0.002 0.000 1.186 63 A CA 2.035 54.071 52.037 -0.003 0.000 0.620 63 A CB -0.859 18.142 19.000 0.001 0.000 0.822 63 A HN 0.429 nan 8.150 nan 0.000 0.443 64 A N -0.030 122.787 122.820 -0.004 0.000 1.859 64 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 64 A C 1.899 179.481 177.584 -0.004 0.000 1.198 64 A CA 1.939 53.974 52.037 -0.003 0.000 0.629 64 A CB -0.798 18.199 19.000 -0.004 0.000 0.830 64 A HN 0.636 nan 8.150 nan 0.000 0.446 65 E N -0.774 119.421 120.200 -0.009 0.000 2.118 65 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 65 E C 1.627 178.222 176.600 -0.009 0.000 0.992 65 E CA 1.207 57.600 56.400 -0.010 0.000 0.804 65 E CB -0.189 29.501 29.700 -0.016 0.000 0.741 65 E HN 0.403 nan 8.360 nan 0.000 0.458 66 L N -0.801 120.417 121.223 -0.009 0.000 2.418 66 L HA 0.160 4.500 4.340 -0.000 0.000 0.218 66 L C 1.197 178.073 176.870 0.010 0.000 1.125 66 L CA 1.150 55.987 54.840 -0.005 0.000 0.835 66 L CB -0.646 41.405 42.059 -0.014 0.000 0.953 66 L HN 0.238 nan 8.230 nan 0.000 0.454 67 G N 1.230 110.035 108.800 0.010 0.000 2.324 67 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.292 67 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.292 67 G C 0.070 174.985 174.900 0.025 0.000 1.079 67 G CA 0.606 45.715 45.100 0.015 0.000 1.026 67 G HN 0.468 nan 8.290 nan 0.000 0.506 68 I N -2.994 117.591 120.570 0.025 0.000 2.918 68 I HA 0.814 4.983 4.170 -0.000 0.000 0.301 68 I C -2.671 173.463 176.117 0.027 0.000 1.312 68 I CA -3.101 58.221 61.300 0.037 0.000 1.007 68 I CB 2.483 40.518 38.000 0.060 0.000 1.281 68 I HN -0.019 nan 8.210 nan 0.000 0.440 69 P HA 0.504 nan 4.420 nan 0.000 0.284 69 P C -0.863 176.452 177.300 0.025 0.000 1.258 69 P CA -0.302 62.812 63.100 0.023 0.000 0.824 69 P CB 1.739 33.452 31.700 0.021 0.000 1.038 70 I N 2.329 122.912 120.570 0.020 0.000 2.595 70 I HA 0.077 4.246 4.170 -0.000 0.000 0.275 70 I C 1.604 177.736 176.117 0.025 0.000 1.092 70 I CA -0.673 60.640 61.300 0.022 0.000 1.145 70 I CB 1.244 39.253 38.000 0.016 0.000 1.276 70 I HN 0.039 nan 8.210 nan 0.000 0.497 71 V N 3.929 123.862 119.914 0.031 0.000 2.226 71 V HA -0.288 3.832 4.120 -0.000 0.000 0.254 71 V C 0.905 177.025 176.094 0.042 0.000 1.065 71 V CA 1.833 64.155 62.300 0.037 0.000 1.039 71 V CB -0.587 31.262 31.823 0.044 0.000 0.653 71 V HN 0.726 nan 8.190 nan 0.000 0.450 72 N N -0.439 118.291 118.700 0.050 0.000 2.265 72 N HA 0.547 5.287 4.740 -0.000 0.000 0.300 72 N C -0.968 174.574 175.510 0.053 0.000 1.148 72 N CA -0.592 52.495 53.050 0.062 0.000 0.772 72 N CB 2.127 40.672 38.487 0.097 0.000 1.434 72 N HN 0.364 nan 8.380 nan 0.000 0.481 73 K N 1.583 122.014 120.400 0.051 0.000 2.578 73 K HA 0.526 4.846 4.320 -0.000 0.000 0.250 73 K C -0.538 176.094 176.600 0.053 0.000 0.955 73 K CA -0.498 55.812 56.287 0.040 0.000 0.825 73 K CB 2.403 34.914 32.500 0.018 0.000 1.151 73 K HN 0.357 nan 8.250 nan 0.000 0.432 74 R N 1.048 121.585 120.500 0.061 0.000 2.869 74 R HA 0.692 5.032 4.340 -0.000 0.000 0.263 74 R C -1.127 175.206 176.300 0.055 0.000 1.066 74 R CA -1.159 54.993 56.100 0.086 0.000 0.960 74 R CB 2.033 32.406 30.300 0.121 0.000 1.221 74 R HN 0.178 nan 8.270 nan 0.000 0.474 75 V N 0.723 120.676 119.914 0.065 0.000 2.925 75 V HA 0.515 4.635 4.120 -0.000 0.000 0.311 75 V C -0.786 175.343 176.094 0.059 0.000 1.104 75 V CA -0.554 61.766 62.300 0.035 0.000 0.954 75 V CB 2.258 34.094 31.823 0.022 0.000 1.022 75 V HN 1.004 nan 8.190 nan 0.000 0.427 76 S N 2.607 118.329 115.700 0.037 0.000 2.632 76 S HA 0.966 5.436 4.470 -0.000 0.000 0.289 76 S C -0.800 173.865 174.600 0.108 0.000 1.115 76 S CA -0.479 57.778 58.200 0.095 0.000 0.889 76 S CB 2.058 65.324 63.200 0.109 0.000 1.116 76 S HN 1.593 nan 8.310 nan 0.000 0.486 77 V N -2.254 117.779 119.914 0.199 0.000 3.160 77 V HA 0.713 4.833 4.120 -0.000 0.000 0.310 77 V C -0.168 176.093 176.094 0.277 0.000 1.181 77 V CA -1.002 61.425 62.300 0.212 0.000 1.047 77 V CB 0.886 32.797 31.823 0.146 0.000 1.068 77 V HN 0.958 nan 8.190 nan 0.000 0.441 78 T N 3.704 118.395 114.554 0.230 0.000 2.891 78 T HA 0.165 4.515 4.350 -0.000 0.000 0.296 78 T C -2.468 172.287 174.700 0.091 0.000 1.025 78 T CA 0.486 62.681 62.100 0.158 0.000 1.149 78 T CB -0.053 68.873 68.868 0.096 0.000 1.007 78 T HN 0.768 nan 8.240 nan 0.000 0.528 79 P HA -0.019 nan 4.420 nan 0.000 0.257 79 P C 0.894 178.134 177.300 -0.101 0.000 1.162 79 P CA -0.095 62.943 63.100 -0.104 0.000 0.762 79 P CB 0.209 31.747 31.700 -0.271 0.000 0.753 80 I N 2.609 123.113 120.570 -0.111 0.000 2.567 80 I HA -0.186 3.984 4.170 -0.000 0.000 0.257 80 I C 2.011 177.976 176.117 -0.254 0.000 1.184 80 I CA 1.578 62.788 61.300 -0.149 0.000 1.451 80 I CB -1.648 36.305 38.000 -0.078 0.000 1.089 80 I HN 0.317 nan 8.210 nan 0.000 0.441 81 S N 0.746 116.308 115.700 -0.230 0.000 2.399 81 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 81 S C 1.990 176.497 174.600 -0.156 0.000 1.022 81 S CA 0.857 58.965 58.200 -0.154 0.000 0.983 81 S CB -0.790 62.355 63.200 -0.091 0.000 0.803 81 S HN 0.462 nan 8.310 nan 0.000 0.480 82 L N 0.592 121.731 121.223 -0.140 0.000 2.217 82 L HA 0.004 4.344 4.340 -0.000 0.000 0.211 82 L C 2.252 179.042 176.870 -0.132 0.000 1.107 82 L CA 0.562 55.337 54.840 -0.109 0.000 0.783 82 L CB -0.546 41.466 42.059 -0.078 0.000 0.919 82 L HN 0.310 nan 8.230 nan 0.000 0.442 83 I N -0.111 120.352 120.570 -0.178 0.000 2.296 83 I HA -0.050 4.120 4.170 -0.000 0.000 0.242 83 I C 2.735 178.658 176.117 -0.323 0.000 1.087 83 I CA 1.409 62.597 61.300 -0.185 0.000 1.393 83 I CB -1.940 35.977 38.000 -0.139 0.000 1.093 83 I HN 0.179 nan 8.210 nan 0.000 0.421 84 G N 1.235 109.655 108.800 -0.633 0.000 2.503 84 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.221 84 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.221 84 G C 1.806 176.415 174.900 -0.484 0.000 1.131 84 G CA 1.270 45.603 45.100 -1.279 0.000 0.756 84 G HN 0.500 nan 8.290 nan 0.000 0.572 85 A N 0.970 123.661 122.820 -0.215 0.000 1.969 85 A HA 0.373 4.693 4.320 -0.000 0.000 0.218 85 A C 2.736 180.304 177.584 -0.026 0.000 1.169 85 A CA 1.870 53.891 52.037 -0.026 0.000 0.635 85 A CB -0.618 18.369 19.000 -0.022 0.000 0.810 85 A HN 0.888 nan 8.150 nan 0.000 0.445 86 A N -1.091 121.689 122.820 -0.066 0.000 2.178 86 A HA 0.123 4.443 4.320 -0.000 0.000 0.218 86 A C 1.377 178.951 177.584 -0.016 0.000 1.157 86 A CA 1.496 53.512 52.037 -0.036 0.000 0.689 86 A CB -0.611 18.363 19.000 -0.043 0.000 0.787 86 A HN 0.380 nan 8.150 nan 0.000 0.465 87 T N -0.966 113.582 114.554 -0.011 0.000 2.912 87 T HA 0.334 4.684 4.350 -0.000 0.000 0.280 87 T C 0.210 174.954 174.700 0.073 0.000 0.989 87 T CA -0.355 61.763 62.100 0.030 0.000 0.995 87 T CB 1.068 69.948 68.868 0.021 0.000 1.077 87 T HN 0.146 nan 8.240 nan 0.000 0.531 88 D N 0.633 121.075 120.400 0.069 0.000 2.350 88 D HA 0.290 4.930 4.640 -0.000 0.000 0.213 88 D C 0.933 177.284 176.300 0.086 0.000 1.031 88 D CA -0.024 54.015 54.000 0.066 0.000 0.861 88 D CB -0.125 40.699 40.800 0.040 0.000 0.926 88 D HN 0.619 nan 8.370 nan 0.000 0.520 89 A N -0.120 122.784 122.820 0.140 0.000 2.567 89 A HA 0.070 4.390 4.320 -0.000 0.000 0.236 89 A C 1.408 179.028 177.584 0.059 0.000 1.088 89 A CA 0.610 52.734 52.037 0.145 0.000 0.776 89 A CB 0.318 19.480 19.000 0.270 0.000 1.033 89 A HN 0.103 nan 8.150 nan 0.000 0.513 90 T N -0.568 113.974 114.554 -0.020 0.000 3.003 90 T HA 0.278 4.628 4.350 -0.000 0.000 0.261 90 T C -0.430 174.151 174.700 -0.198 0.000 1.003 90 T CA 0.741 62.785 62.100 -0.094 0.000 0.917 90 T CB -0.400 68.441 68.868 -0.046 0.000 1.084 90 T HN 1.004 nan 8.240 nan 0.000 0.522 91 D N -1.458 118.823 120.400 -0.198 0.000 2.653 91 D HA 0.254 4.894 4.640 -0.000 0.000 0.258 91 D C -1.157 175.126 176.300 -0.027 0.000 1.252 91 D CA -0.712 53.142 54.000 -0.242 0.000 0.777 91 D CB 0.409 41.165 40.800 -0.075 0.000 1.339 91 D HN -0.136 nan 8.370 nan 0.000 0.422 92 Y N 0.626 120.995 120.300 0.114 0.000 2.641 92 Y HA 0.278 4.828 4.550 -0.000 0.000 0.248 92 Y C 1.798 177.858 175.900 0.267 0.000 1.170 92 Y CA -0.776 57.426 58.100 0.170 0.000 1.201 92 Y CB 0.019 38.562 38.460 0.138 0.000 1.232 92 Y HN 0.333 nan 8.280 nan 0.000 0.537 93 V N -0.294 119.799 119.914 0.299 0.000 2.317 93 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 93 V C 2.336 178.485 176.094 0.092 0.000 1.065 93 V CA 2.222 64.599 62.300 0.129 0.000 1.049 93 V CB -0.836 31.020 31.823 0.054 0.000 0.651 93 V HN 0.388 nan 8.190 nan 0.000 0.450 94 V N -0.355 119.631 119.914 0.121 0.000 2.380 94 V HA -0.284 3.836 4.120 -0.000 0.000 0.251 94 V C 2.165 178.312 176.094 0.088 0.000 1.063 94 V CA 2.418 64.767 62.300 0.081 0.000 1.055 94 V CB -0.273 31.597 31.823 0.079 0.000 0.657 94 V HN 0.545 nan 8.190 nan 0.000 0.455 95 L N -0.021 121.294 121.223 0.153 0.000 2.093 95 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 95 L C 2.843 179.811 176.870 0.162 0.000 1.085 95 L CA 1.497 56.437 54.840 0.167 0.000 0.755 95 L CB -0.949 41.228 42.059 0.196 0.000 0.904 95 L HN 0.446 nan 8.230 nan 0.000 0.435 96 A N 0.548 123.422 122.820 0.090 0.000 1.883 96 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 96 A C 2.315 179.856 177.584 -0.071 0.000 1.186 96 A CA 1.736 53.657 52.037 -0.195 0.000 0.624 96 A CB -0.369 18.200 19.000 -0.719 0.000 0.822 96 A HN 0.348 nan 8.150 nan 0.000 0.444 97 K N -0.190 120.188 120.400 -0.036 0.000 2.147 97 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 97 K C 2.237 178.856 176.600 0.032 0.000 1.049 97 K CA 1.081 57.362 56.287 -0.010 0.000 0.936 97 K CB -0.397 32.095 32.500 -0.014 0.000 0.722 97 K HN 0.447 nan 8.250 nan 0.000 0.446 98 A N 1.916 124.772 122.820 0.061 0.000 1.933 98 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 98 A C 2.210 179.886 177.584 0.153 0.000 1.175 98 A CA 1.191 53.298 52.037 0.117 0.000 0.628 98 A CB -0.610 18.464 19.000 0.123 0.000 0.814 98 A HN 0.153 nan 8.150 nan 0.000 0.444 99 L N -0.893 120.393 121.223 0.105 0.000 2.056 99 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 99 L C 2.331 179.247 176.870 0.076 0.000 1.078 99 L CA 1.566 56.463 54.840 0.094 0.000 0.749 99 L CB -0.670 41.448 42.059 0.098 0.000 0.901 99 L HN 0.274 nan 8.230 nan 0.000 0.433 100 D N 0.216 120.645 120.400 0.048 0.000 2.144 100 D HA -0.207 4.433 4.640 -0.000 0.000 0.199 100 D C 2.203 178.536 176.300 0.055 0.000 0.984 100 D CA 1.222 55.241 54.000 0.033 0.000 0.834 100 D CB 0.144 40.946 40.800 0.004 0.000 0.955 100 D HN 0.128 nan 8.370 nan 0.000 0.465 101 K N -0.355 120.106 120.400 0.101 0.000 2.076 101 K HA 0.018 4.338 4.320 -0.000 0.000 0.204 101 K C 2.031 178.794 176.600 0.271 0.000 1.051 101 K CA 0.861 57.246 56.287 0.163 0.000 0.949 101 K CB -0.071 32.507 32.500 0.130 0.000 0.726 101 K HN 0.044 nan 8.250 nan 0.000 0.443 102 A N 1.521 124.502 122.820 0.267 0.000 1.873 102 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 102 A C 2.371 179.955 177.584 -0.001 0.000 1.193 102 A CA 2.320 54.367 52.037 0.016 0.000 0.629 102 A CB -1.138 17.836 19.000 -0.044 0.000 0.826 102 A HN 0.484 nan 8.150 nan 0.000 0.447 103 A N -0.563 122.271 122.820 0.023 0.000 1.892 103 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 103 A C 2.140 179.716 177.584 -0.013 0.000 1.188 103 A CA 2.200 54.236 52.037 -0.001 0.000 0.631 103 A CB -0.524 18.477 19.000 0.001 0.000 0.822 103 A HN 0.582 nan 8.150 nan 0.000 0.447 104 K N -0.900 119.505 120.400 0.008 0.000 2.026 104 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 104 K C 2.144 178.746 176.600 0.004 0.000 1.048 104 K CA 1.579 57.865 56.287 -0.002 0.000 0.929 104 K CB -0.120 32.387 32.500 0.013 0.000 0.713 104 K HN 0.579 nan 8.250 nan 0.000 0.439 105 E N 1.503 121.722 120.200 0.031 0.000 2.118 105 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 105 E C 1.571 178.161 176.600 -0.016 0.000 0.992 105 E CA 1.407 57.822 56.400 0.025 0.000 0.804 105 E CB -0.114 29.617 29.700 0.052 0.000 0.741 105 E HN 0.522 nan 8.360 nan 0.000 0.458 106 I N -4.549 116.000 120.570 -0.035 0.000 3.956 106 I HA 0.447 4.617 4.170 -0.000 0.000 0.333 106 I C 1.292 177.389 176.117 -0.032 0.000 1.302 106 I CA 0.425 61.700 61.300 -0.042 0.000 1.122 106 I CB 0.142 38.108 38.000 -0.055 0.000 1.013 106 I HN 0.195 nan 8.210 nan 0.000 0.405 107 G N 2.582 111.363 108.800 -0.032 0.000 2.147 107 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 107 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 107 G C 0.222 175.095 174.900 -0.044 0.000 1.005 107 G CA 0.260 45.338 45.100 -0.037 0.000 0.713 107 G HN 0.646 nan 8.290 nan 0.000 0.515 108 V N -3.170 116.718 119.914 -0.045 0.000 3.170 108 V HA 0.740 4.860 4.120 -0.000 0.000 0.309 108 V C 1.263 177.297 176.094 -0.099 0.000 1.071 108 V CA 0.437 62.712 62.300 -0.041 0.000 1.063 108 V CB 1.141 32.959 31.823 -0.009 0.000 1.123 108 V HN 0.015 nan 8.190 nan 0.000 0.464 109 D N 0.123 120.464 120.400 -0.098 0.000 2.137 109 D HA 0.191 4.831 4.640 -0.000 0.000 0.202 109 D C -0.229 175.717 176.300 -0.590 0.000 0.970 109 D CA 1.774 55.602 54.000 -0.287 0.000 0.837 109 D CB -0.068 40.689 40.800 -0.073 0.000 0.981 109 D HN 0.477 nan 8.370 nan 0.000 0.475 110 F N -0.905 119.056 119.950 0.017 0.000 2.665 110 F HA 0.431 4.958 4.527 -0.000 0.000 0.308 110 F C -1.160 174.657 175.800 0.029 0.000 1.112 110 F CA -1.237 56.777 58.000 0.023 0.000 0.972 110 F CB 1.919 40.936 39.000 0.028 0.000 1.295 110 F HN -0.335 nan 8.300 nan 0.000 0.440 111 I N 1.621 122.358 120.570 0.279 0.000 2.466 111 I HA 0.808 4.978 4.170 -0.000 0.000 0.289 111 I C -0.547 175.682 176.117 0.187 0.000 1.026 111 I CA -0.182 61.227 61.300 0.181 0.000 1.078 111 I CB 1.494 39.567 38.000 0.121 0.000 1.249 111 I HN 0.640 nan 8.210 nan 0.000 0.429 112 G N 3.419 112.319 108.800 0.168 0.000 2.417 112 G HA2 0.594 4.554 3.960 -0.000 0.000 0.334 112 G HA3 0.594 4.554 3.960 -0.000 0.000 0.334 112 G C 0.273 175.305 174.900 0.220 0.000 1.150 112 G CA -0.190 45.017 45.100 0.179 0.000 0.923 112 G HN 1.213 nan 8.290 nan 0.000 0.485 113 G N -0.708 108.246 108.800 0.256 0.000 2.276 113 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.177 113 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.177 113 G C 0.115 175.145 174.900 0.216 0.000 1.017 113 G CA -0.316 44.950 45.100 0.276 0.000 0.750 113 G HN 0.825 nan 8.290 nan 0.000 0.506 114 F N 3.854 123.855 119.950 0.084 0.000 2.685 114 F HA 0.589 5.116 4.527 -0.000 0.000 0.349 114 F C 0.371 176.191 175.800 0.033 0.000 1.294 114 F CA 0.096 58.130 58.000 0.057 0.000 1.201 114 F CB -0.093 38.944 39.000 0.061 0.000 1.615 114 F HN 0.028 nan 8.300 nan 0.000 0.674 115 S N 2.373 117.979 115.700 -0.156 0.000 2.599 115 S HA 0.943 5.413 4.470 -0.000 0.000 0.287 115 S C -0.700 173.757 174.600 -0.239 0.000 1.105 115 S CA -0.689 57.415 58.200 -0.161 0.000 0.899 115 S CB 1.785 64.901 63.200 -0.139 0.000 1.100 115 S HN 0.600 nan 8.310 nan 0.000 0.482 116 A N 1.233 123.940 122.820 -0.189 0.000 2.479 116 A HA 0.887 5.206 4.320 -0.000 0.000 0.296 116 A C -1.727 175.777 177.584 -0.133 0.000 1.121 116 A CA -0.746 51.193 52.037 -0.163 0.000 0.743 116 A CB 0.991 19.926 19.000 -0.107 0.000 1.323 116 A HN 0.721 nan 8.150 nan 0.000 0.415 117 L N 2.017 123.176 121.223 -0.106 0.000 2.427 117 L HA 0.465 4.805 4.340 -0.000 0.000 0.264 117 L C 0.026 176.898 176.870 0.003 0.000 0.989 117 L CA -0.595 54.207 54.840 -0.062 0.000 0.865 117 L CB 1.706 43.694 42.059 -0.119 0.000 1.209 117 L HN 0.676 nan 8.230 nan 0.000 0.430 118 V N -0.604 119.336 119.914 0.044 0.000 3.078 118 V HA 0.149 4.269 4.120 -0.000 0.000 0.344 118 V C 1.080 177.177 176.094 0.006 0.000 1.409 118 V CA -0.185 62.159 62.300 0.072 0.000 1.146 118 V CB 0.462 32.410 31.823 0.208 0.000 1.126 118 V HN 0.740 nan 8.190 nan 0.000 0.513 119 Q N 1.876 121.680 119.800 0.007 0.000 2.234 119 Q HA -0.064 4.276 4.340 -0.000 0.000 0.206 119 Q C 1.436 177.417 176.000 -0.031 0.000 0.980 119 Q CA 1.812 57.608 55.803 -0.011 0.000 0.869 119 Q CB -0.604 28.137 28.738 0.005 0.000 0.912 119 Q HN 0.768 nan 8.270 nan 0.000 0.436 120 K N 0.287 120.671 120.400 -0.027 0.000 2.500 120 K HA 0.447 4.767 4.320 -0.000 0.000 0.206 120 K C -0.066 176.501 176.600 -0.054 0.000 1.034 120 K CA 0.181 56.447 56.287 -0.035 0.000 1.179 120 K CB 0.476 32.965 32.500 -0.019 0.000 0.884 120 K HN 0.221 nan 8.250 nan 0.000 0.493 121 G N 0.974 109.717 108.800 -0.096 0.000 2.617 121 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.686 121 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.686 121 G C -1.114 173.766 174.900 -0.033 0.000 1.214 121 G CA -1.109 43.909 45.100 -0.136 0.000 0.796 121 G HN 0.242 nan 8.290 nan 0.000 0.654 122 Y N 1.381 121.668 120.300 -0.021 0.000 2.544 122 Y HA 0.286 4.836 4.550 -0.000 0.000 0.330 122 Y C 1.368 177.255 175.900 -0.021 0.000 1.136 122 Y CA -0.321 57.765 58.100 -0.023 0.000 1.417 122 Y CB 0.657 39.103 38.460 -0.024 0.000 1.229 122 Y HN 0.490 nan 8.280 nan 0.000 0.532 123 Q N 2.574 122.467 119.800 0.154 0.000 2.286 123 Q HA 0.187 4.527 4.340 -0.000 0.000 0.250 123 Q C -0.575 175.450 176.000 0.043 0.000 1.021 123 Q CA -1.178 54.669 55.803 0.074 0.000 0.930 123 Q CB 1.440 30.203 28.738 0.042 0.000 1.266 123 Q HN 0.571 nan 8.270 nan 0.000 0.491 124 K N -0.214 120.202 120.400 0.027 0.000 2.466 124 K HA 0.079 4.399 4.320 -0.000 0.000 0.278 124 K C 0.559 177.176 176.600 0.027 0.000 1.048 124 K CA 1.320 57.620 56.287 0.021 0.000 1.088 124 K CB -0.391 32.121 32.500 0.020 0.000 0.884 124 K HN 0.762 nan 8.250 nan 0.000 0.478 125 G N 3.935 112.757 108.800 0.037 0.000 2.284 125 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 125 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 125 G C 0.598 175.513 174.900 0.025 0.000 1.009 125 G CA 0.222 45.387 45.100 0.109 0.000 0.625 125 G HN 0.711 nan 8.290 nan 0.000 0.501 126 D N 0.828 121.188 120.400 -0.068 0.000 2.091 126 D HA 0.031 4.671 4.640 -0.000 0.000 0.199 126 D C 2.188 178.292 176.300 -0.327 0.000 0.980 126 D CA 1.374 55.286 54.000 -0.145 0.000 0.831 126 D CB -0.194 40.574 40.800 -0.052 0.000 0.987 126 D HN 0.618 nan 8.370 nan 0.000 0.460 127 E N -0.230 119.675 120.200 -0.492 0.000 2.106 127 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 127 E C 2.030 178.421 176.600 -0.347 0.000 0.984 127 E CA 0.283 56.358 56.400 -0.542 0.000 0.806 127 E CB 0.101 29.474 29.700 -0.546 0.000 0.750 127 E HN 0.125 nan 8.360 nan 0.000 0.458 128 I N 0.725 121.093 120.570 -0.336 0.000 2.252 128 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 128 I C 2.259 178.076 176.117 -0.499 0.000 1.102 128 I CA 0.844 61.861 61.300 -0.472 0.000 1.385 128 I CB -0.580 36.947 38.000 -0.789 0.000 1.064 128 I HN 0.135 nan 8.210 nan 0.000 0.414 129 L N 0.194 121.213 121.223 -0.340 0.000 1.989 129 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 129 L C 2.405 179.161 176.870 -0.189 0.000 1.071 129 L CA 1.909 56.625 54.840 -0.207 0.000 0.749 129 L CB -0.347 41.631 42.059 -0.135 0.000 0.890 129 L HN 0.145 nan 8.230 nan 0.000 0.431 130 I N -0.337 120.122 120.570 -0.185 0.000 2.252 130 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 130 I C 1.677 177.752 176.117 -0.070 0.000 1.102 130 I CA 1.664 62.896 61.300 -0.115 0.000 1.385 130 I CB -0.469 37.450 38.000 -0.136 0.000 1.064 130 I HN 0.394 nan 8.210 nan 0.000 0.414 131 N N 0.136 118.765 118.700 -0.118 0.000 2.573 131 N HA -0.085 4.655 4.740 -0.000 0.000 0.187 131 N C 1.537 177.027 175.510 -0.033 0.000 1.107 131 N CA 0.527 53.532 53.050 -0.076 0.000 0.918 131 N CB 0.071 38.498 38.487 -0.099 0.000 0.966 131 N HN 0.155 nan 8.380 nan 0.000 0.448 132 S N 0.274 115.975 115.700 0.001 0.000 2.527 132 S HA 0.139 4.609 4.470 -0.000 0.000 0.222 132 S C 1.716 176.452 174.600 0.228 0.000 0.985 132 S CA 0.125 58.400 58.200 0.125 0.000 0.921 132 S CB 0.069 63.423 63.200 0.257 0.000 0.772 132 S HN 0.304 nan 8.310 nan 0.000 0.529 133 I N 2.226 122.924 120.570 0.213 0.000 2.099 133 I HA -0.158 4.012 4.170 -0.000 0.000 0.239 133 I C -0.868 175.309 176.117 0.100 0.000 1.066 133 I CA 1.416 62.854 61.300 0.230 0.000 1.324 133 I CB -1.805 36.291 38.000 0.160 0.000 1.037 133 I HN 0.187 nan 8.210 nan 0.000 0.401 134 P HA -0.165 nan 4.420 nan 0.000 0.214 134 P C 1.678 178.985 177.300 0.012 0.000 1.163 134 P CA 1.549 64.665 63.100 0.027 0.000 0.883 134 P CB -0.153 31.557 31.700 0.017 0.000 0.788 135 R N -0.490 120.017 120.500 0.012 0.000 2.094 135 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 135 R C 2.240 178.520 176.300 -0.032 0.000 1.137 135 R CA 1.915 58.012 56.100 -0.005 0.000 0.943 135 R CB -1.034 29.266 30.300 0.001 0.000 0.850 135 R HN 0.090 nan 8.270 nan 0.000 0.433 136 A N 0.544 123.334 122.820 -0.049 0.000 1.940 136 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 136 A C 2.037 179.511 177.584 -0.183 0.000 1.176 136 A CA 1.201 53.119 52.037 -0.198 0.000 0.631 136 A CB -0.381 18.333 19.000 -0.476 0.000 0.814 136 A HN 0.306 nan 8.150 nan 0.000 0.446 137 L N -1.367 119.798 121.223 -0.097 0.000 2.554 137 L HA 0.049 4.389 4.340 -0.000 0.000 0.226 137 L C 2.581 179.432 176.870 -0.032 0.000 1.137 137 L CA 0.499 55.303 54.840 -0.060 0.000 0.863 137 L CB -0.112 41.938 42.059 -0.015 0.000 0.985 137 L HN 0.441 nan 8.230 nan 0.000 0.451 138 A N -0.548 122.253 122.820 -0.032 0.000 2.044 138 A HA 0.012 4.332 4.320 -0.000 0.000 0.213 138 A C 1.692 179.262 177.584 -0.023 0.000 1.169 138 A CA 0.393 52.419 52.037 -0.017 0.000 0.724 138 A CB 0.068 19.061 19.000 -0.011 0.000 0.840 138 A HN 0.341 nan 8.150 nan 0.000 0.463 139 E N 0.470 120.646 120.200 -0.040 0.000 2.437 139 E HA 0.128 4.477 4.350 -0.000 0.000 0.195 139 E C -0.313 176.260 176.600 -0.046 0.000 1.029 139 E CA 0.354 56.730 56.400 -0.039 0.000 0.948 139 E CB 0.307 29.983 29.700 -0.040 0.000 1.082 139 E HN 0.661 nan 8.360 nan 0.000 0.456 140 T N -3.689 110.837 114.554 -0.046 0.000 2.816 140 T HA 0.307 4.657 4.350 -0.000 0.000 0.299 140 T C -0.080 174.614 174.700 -0.010 0.000 1.230 140 T CA -0.824 61.252 62.100 -0.039 0.000 1.007 140 T CB 2.130 70.954 68.868 -0.073 0.000 1.289 140 T HN -0.263 nan 8.240 nan 0.000 0.508 141 D N -0.535 119.865 120.400 0.001 0.000 2.403 141 D HA 0.167 4.807 4.640 -0.000 0.000 0.280 141 D C 1.042 177.363 176.300 0.035 0.000 1.091 141 D CA 0.113 54.120 54.000 0.011 0.000 0.884 141 D CB 0.735 41.519 40.800 -0.026 0.000 1.427 141 D HN 0.511 nan 8.370 nan 0.000 0.504 142 K N 0.928 121.335 120.400 0.011 0.000 2.373 142 K HA 0.228 4.548 4.320 -0.000 0.000 0.202 142 K C 0.049 176.794 176.600 0.241 0.000 1.025 142 K CA -0.005 56.291 56.287 0.015 0.000 1.115 142 K CB 2.197 34.621 32.500 -0.128 0.000 0.858 142 K HN -0.130 nan 8.250 nan 0.000 0.525 143 V N 1.397 121.409 119.914 0.164 0.000 2.481 143 V HA 0.171 4.291 4.120 -0.000 0.000 0.286 143 V C 0.051 176.229 176.094 0.140 0.000 1.042 143 V CA -0.761 61.621 62.300 0.135 0.000 0.928 143 V CB 1.417 33.242 31.823 0.005 0.000 0.986 143 V HN 0.212 nan 8.190 nan 0.000 0.462 144 C N 3.084 122.467 119.300 0.139 0.000 2.529 144 C HA 0.786 5.246 4.460 -0.000 0.000 0.329 144 C C 0.462 175.532 174.990 0.132 0.000 1.194 144 C CA -0.464 58.600 59.018 0.077 0.000 1.779 144 C CB 1.643 29.384 27.740 0.001 0.000 2.322 144 C HN 0.885 nan 8.230 nan 0.000 0.500 145 S N 1.154 116.917 115.700 0.105 0.000 2.566 145 S HA 0.892 5.362 4.470 -0.000 0.000 0.298 145 S C -0.653 173.969 174.600 0.037 0.000 1.083 145 S CA -0.297 57.998 58.200 0.159 0.000 0.978 145 S CB 1.235 64.590 63.200 0.257 0.000 1.073 145 S HN 1.070 nan 8.310 nan 0.000 0.491 146 S N 1.596 117.311 115.700 0.025 0.000 2.546 146 S HA 0.796 5.266 4.470 -0.000 0.000 0.274 146 S C -1.469 173.080 174.600 -0.084 0.000 1.121 146 S CA -0.707 57.418 58.200 -0.124 0.000 0.887 146 S CB 1.415 64.535 63.200 -0.134 0.000 1.094 146 S HN 0.664 nan 8.310 nan 0.000 0.474 147 V N 2.111 121.944 119.914 -0.135 0.000 2.577 147 V HA 0.518 4.638 4.120 -0.000 0.000 0.303 147 V C -0.722 175.420 176.094 0.080 0.000 1.042 147 V CA -0.681 61.604 62.300 -0.025 0.000 0.872 147 V CB 1.672 33.487 31.823 -0.014 0.000 0.998 147 V HN 0.990 nan 8.190 nan 0.000 0.423 148 N N 3.258 122.054 118.700 0.160 0.000 2.425 148 N HA 0.495 5.235 4.740 -0.000 0.000 0.268 148 N C 0.326 175.914 175.510 0.131 0.000 0.991 148 N CA -0.562 52.638 53.050 0.250 0.000 0.931 148 N CB 1.261 39.898 38.487 0.251 0.000 1.130 148 N HN 0.640 nan 8.380 nan 0.000 0.493 149 I N 0.257 120.902 120.570 0.125 0.000 4.227 149 I HA 0.631 4.801 4.170 -0.000 0.000 0.334 149 I C 0.705 176.850 176.117 0.046 0.000 1.341 149 I CA -0.320 61.022 61.300 0.070 0.000 1.123 149 I CB 0.405 38.444 38.000 0.065 0.000 1.097 149 I HN 0.407 nan 8.210 nan 0.000 0.399 150 G N 0.133 108.970 108.800 0.061 0.000 2.645 150 G HA2 0.694 4.653 3.960 -0.000 0.000 0.292 150 G HA3 0.694 4.653 3.960 -0.000 0.000 0.292 150 G C -1.519 173.401 174.900 0.033 0.000 1.415 150 G CA -0.090 45.030 45.100 0.033 0.000 0.785 150 G HN 0.441 nan 8.290 nan 0.000 0.483 151 S N -1.783 113.927 115.700 0.017 0.000 2.542 151 S HA 0.480 4.950 4.470 -0.000 0.000 0.276 151 S C 0.750 175.353 174.600 0.005 0.000 1.148 151 S CA 0.462 58.669 58.200 0.011 0.000 0.886 151 S CB 1.357 64.563 63.200 0.010 0.000 1.109 151 S HN 0.744 nan 8.310 nan 0.000 0.458 152 T N 1.959 116.514 114.554 0.002 0.000 2.760 152 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 152 T C 1.548 176.247 174.700 -0.001 0.000 1.047 152 T CA 2.036 64.136 62.100 0.000 0.000 1.139 152 T CB -0.363 68.504 68.868 -0.002 0.000 0.855 152 T HN 0.711 nan 8.240 nan 0.000 0.471 153 K N 0.154 120.553 120.400 -0.002 0.000 2.243 153 K HA 0.091 4.411 4.320 -0.000 0.000 0.201 153 K C 1.643 178.240 176.600 -0.005 0.000 1.051 153 K CA 0.854 57.139 56.287 -0.003 0.000 0.970 153 K CB 0.204 32.702 32.500 -0.003 0.000 0.755 153 K HN 0.198 nan 8.250 nan 0.000 0.465 154 S N -0.407 115.290 115.700 -0.005 0.000 2.559 154 S HA 0.256 4.726 4.470 -0.000 0.000 0.226 154 S C 0.371 174.963 174.600 -0.013 0.000 1.030 154 S CA 0.105 58.299 58.200 -0.010 0.000 0.956 154 S CB 1.128 64.322 63.200 -0.010 0.000 0.900 154 S HN 0.661 nan 8.310 nan 0.000 0.510 155 G N 2.050 110.846 108.800 -0.007 0.000 2.593 155 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.237 155 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.237 155 G C -0.666 174.229 174.900 -0.008 0.000 1.312 155 G CA -0.354 44.742 45.100 -0.007 0.000 0.896 155 G HN 0.362 nan 8.290 nan 0.000 0.574 156 I N 1.408 121.970 120.570 -0.013 0.000 2.378 156 I HA 0.363 4.532 4.170 -0.000 0.000 0.291 156 I C 0.567 176.658 176.117 -0.044 0.000 0.992 156 I CA -0.576 60.715 61.300 -0.014 0.000 1.154 156 I CB 1.743 39.745 38.000 0.003 0.000 1.315 156 I HN 0.757 nan 8.210 nan 0.000 0.448 160 A N 1.207 123.927 122.820 -0.167 0.000 1.929 160 A HA 0.189 4.509 4.320 -0.000 0.000 0.216 160 A C 2.248 179.854 177.584 0.037 0.000 1.176 160 A CA 1.600 53.622 52.037 -0.026 0.000 0.628 160 A CB -0.823 18.150 19.000 -0.045 0.000 0.816 160 A HN 0.327 nan 8.150 nan 0.000 0.444 161 V N 0.092 120.010 119.914 0.006 0.000 2.287 161 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 161 V C 3.078 179.194 176.094 0.037 0.000 1.053 161 V CA 2.043 64.361 62.300 0.030 0.000 1.027 161 V CB -1.204 30.635 31.823 0.027 0.000 0.646 161 V HN 0.611 nan 8.190 nan 0.000 0.447 162 A N -0.642 122.192 122.820 0.023 0.000 1.908 162 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 162 A C 1.307 178.917 177.584 0.043 0.000 1.181 162 A CA 1.459 53.514 52.037 0.030 0.000 0.627 162 A CB -0.548 18.460 19.000 0.012 0.000 0.818 162 A HN 0.573 nan 8.150 nan 0.000 0.445 166 R N 0.538 121.054 120.500 0.027 0.000 2.091 166 R HA 0.049 4.389 4.340 -0.000 0.000 0.238 166 R C 2.346 178.657 176.300 0.018 0.000 1.136 166 R CA 1.863 57.976 56.100 0.021 0.000 0.959 166 R CB -0.378 29.934 30.300 0.021 0.000 0.856 166 R HN 0.378 nan 8.270 nan 0.000 0.437 167 I N 0.871 121.453 120.570 0.020 0.000 2.226 167 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 167 I C 2.251 178.378 176.117 0.016 0.000 1.100 167 I CA 1.287 62.598 61.300 0.017 0.000 1.374 167 I CB -0.123 37.889 38.000 0.019 0.000 1.057 167 I HN 0.208 nan 8.210 nan 0.000 0.413 168 I N 0.180 120.759 120.570 0.016 0.000 2.226 168 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 168 I C 2.408 178.532 176.117 0.011 0.000 1.100 168 I CA 1.501 62.808 61.300 0.012 0.000 1.374 168 I CB -0.349 37.657 38.000 0.011 0.000 1.057 168 I HN 0.140 nan 8.210 nan 0.000 0.413 169 K N 0.444 120.852 120.400 0.012 0.000 2.057 169 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 169 K C 1.935 178.541 176.600 0.009 0.000 1.049 169 K CA 1.528 57.822 56.287 0.011 0.000 0.931 169 K CB -0.220 32.287 32.500 0.011 0.000 0.714 169 K HN 0.460 nan 8.250 nan 0.000 0.440 170 E N 0.202 120.407 120.200 0.010 0.000 2.107 170 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 170 E C 1.932 178.537 176.600 0.009 0.000 0.982 170 E CA 1.256 57.661 56.400 0.008 0.000 0.809 170 E CB -0.146 29.558 29.700 0.007 0.000 0.756 170 E HN 0.245 nan 8.360 nan 0.000 0.459 171 T N 1.159 115.720 114.554 0.011 0.000 2.759 171 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 171 T C 2.032 176.737 174.700 0.008 0.000 1.042 171 T CA 1.338 63.445 62.100 0.011 0.000 1.140 171 T CB -0.174 68.702 68.868 0.014 0.000 0.864 171 T HN 0.262 nan 8.240 nan 0.000 0.455 172 A N 2.137 124.962 122.820 0.008 0.000 2.016 172 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 172 A C 1.980 179.568 177.584 0.007 0.000 1.162 172 A CA 1.432 53.474 52.037 0.007 0.000 0.662 172 A CB -0.645 18.359 19.000 0.007 0.000 0.812 172 A HN 0.734 nan 8.150 nan 0.000 0.450 173 N N -1.614 117.089 118.700 0.006 0.000 2.336 173 N HA 0.099 4.839 4.740 -0.000 0.000 0.189 173 N C 0.853 176.365 175.510 0.004 0.000 1.113 173 N CA 0.238 53.291 53.050 0.005 0.000 0.858 173 N CB -0.014 38.476 38.487 0.005 0.000 0.970 173 N HN 0.189 nan 8.380 nan 0.000 0.471 174 L N 0.363 121.588 121.223 0.004 0.000 2.607 174 L HA 0.377 4.716 4.340 -0.000 0.000 0.228 174 L C -0.352 176.519 176.870 0.002 0.000 1.123 174 L CA 0.036 54.878 54.840 0.002 0.000 0.890 174 L CB -0.436 41.624 42.059 0.002 0.000 1.103 174 L HN 0.445 nan 8.230 nan 0.000 0.468 175 S N -4.182 111.521 115.700 0.004 0.000 2.688 175 S HA 0.250 4.720 4.470 -0.000 0.000 0.269 175 S C -0.933 173.672 174.600 0.008 0.000 1.060 175 S CA -1.141 57.062 58.200 0.005 0.000 0.844 175 S CB 0.869 64.072 63.200 0.005 0.000 1.095 175 S HN -0.099 nan 8.310 nan 0.000 0.466 179 V N 0.672 120.589 119.914 0.005 0.000 2.636 179 V HA 0.068 4.188 4.120 -0.000 0.000 0.258 179 V C 2.727 178.814 176.094 -0.012 0.000 1.092 179 V CA 2.499 64.797 62.300 -0.002 0.000 1.110 179 V CB -1.291 30.532 31.823 0.000 0.000 0.685 179 V HN 0.803 nan 8.190 nan 0.000 0.481 180 A N 0.479 123.295 122.820 -0.008 0.000 2.168 180 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 180 A C 2.076 179.623 177.584 -0.061 0.000 1.152 180 A CA 1.398 53.421 52.037 -0.024 0.000 0.716 180 A CB -0.356 18.643 19.000 -0.003 0.000 0.794 180 A HN 0.721 nan 8.150 nan 0.000 0.465 181 K N -0.910 119.462 120.400 -0.046 0.000 2.387 181 K HA 0.393 4.713 4.320 -0.000 0.000 0.203 181 K C -0.250 176.319 176.600 -0.052 0.000 1.030 181 K CA -0.181 56.060 56.287 -0.076 0.000 1.099 181 K CB 0.530 33.016 32.500 -0.023 0.000 0.863 181 K HN 0.334 nan 8.250 nan 0.000 0.529 182 L N 2.103 123.299 121.223 -0.045 0.000 2.307 182 L HA 0.479 4.819 4.340 -0.000 0.000 0.284 182 L C -1.202 175.610 176.870 -0.097 0.000 1.023 182 L CA -0.850 53.962 54.840 -0.047 0.000 0.810 182 L CB 1.842 43.886 42.059 -0.024 0.000 1.231 182 L HN -0.139 nan 8.230 nan 0.000 0.423 183 V N 5.757 125.565 119.914 -0.175 0.000 2.760 183 V HA 0.555 4.675 4.120 -0.000 0.000 0.309 183 V C -1.113 174.736 176.094 -0.408 0.000 1.077 183 V CA -0.378 61.762 62.300 -0.267 0.000 0.910 183 V CB 2.389 34.018 31.823 -0.324 0.000 1.008 183 V HN 0.463 nan 8.190 nan 0.000 0.424 184 V N 7.048 126.802 119.914 -0.266 0.000 2.532 184 V HA 0.691 4.811 4.120 -0.000 0.000 0.295 184 V C -0.475 175.585 176.094 -0.056 0.000 1.041 184 V CA -0.270 61.920 62.300 -0.183 0.000 0.926 184 V CB 1.427 33.231 31.823 -0.031 0.000 0.992 184 V HN 0.784 nan 8.190 nan 0.000 0.457 185 F N 1.338 121.323 119.950 0.058 0.000 2.664 185 F HA 0.910 5.437 4.527 -0.000 0.000 0.329 185 F C 0.185 176.018 175.800 0.055 0.000 1.090 185 F CA -1.385 56.652 58.000 0.062 0.000 0.978 185 F CB 2.036 41.090 39.000 0.090 0.000 1.378 185 F HN 0.552 nan 8.300 nan 0.000 0.495 186 A N 1.365 124.340 122.820 0.259 0.000 2.488 186 A HA 0.609 4.929 4.320 -0.000 0.000 0.295 186 A C -0.551 177.028 177.584 -0.009 0.000 1.045 186 A CA -0.641 51.458 52.037 0.103 0.000 0.703 186 A CB 0.930 19.984 19.000 0.089 0.000 1.271 186 A HN 0.813 nan 8.150 nan 0.000 0.400 187 N N -0.480 118.214 118.700 -0.010 0.000 2.776 187 N HA -0.221 4.518 4.740 -0.000 0.000 0.250 187 N C 1.109 176.548 175.510 -0.119 0.000 1.112 187 N CA 1.434 54.455 53.050 -0.047 0.000 0.733 187 N CB -1.298 37.161 38.487 -0.046 0.000 1.097 187 N HN 1.221 nan 8.380 nan 0.000 0.558 188 A N -0.135 122.600 122.820 -0.141 0.000 1.841 188 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 188 A C 1.491 179.098 177.584 0.039 0.000 1.199 188 A CA 1.784 53.733 52.037 -0.146 0.000 0.621 188 A CB -0.512 18.522 19.000 0.057 0.000 0.835 188 A HN 0.271 nan 8.150 nan 0.000 0.445 192 N N -0.550 118.000 118.700 -0.250 0.000 2.737 192 N HA 0.888 5.628 4.740 -0.000 0.000 0.292 192 N C -1.879 173.486 175.510 -0.242 0.000 1.367 192 N CA 0.547 53.471 53.050 -0.210 0.000 0.818 192 N CB -0.444 37.969 38.487 -0.123 0.000 1.109 192 N HN 0.775 nan 8.380 nan 0.000 0.466 197 G N 0.666 109.516 108.800 0.085 0.000 3.936 197 G HA2 0.553 4.513 3.960 -0.000 0.000 0.296 197 G HA3 0.553 4.513 3.960 -0.000 0.000 0.296 197 G C 0.468 175.540 174.900 0.287 0.000 1.121 197 G CA 0.833 46.035 45.100 0.169 0.000 0.899 197 G HN 1.055 nan 8.290 nan 0.000 0.542 198 A N 0.586 123.500 122.820 0.156 0.000 2.407 198 A HA 0.752 5.072 4.320 -0.000 0.000 0.248 198 A C -0.332 177.374 177.584 0.203 0.000 1.082 198 A CA -0.065 52.019 52.037 0.077 0.000 0.785 198 A CB 0.134 19.159 19.000 0.042 0.000 1.020 198 A HN 0.985 nan 8.150 nan 0.000 0.489 199 F N -1.316 118.716 119.950 0.137 0.000 2.686 199 F HA 0.615 5.142 4.527 -0.000 0.000 0.311 199 F C -0.774 175.115 175.800 0.149 0.000 1.128 199 F CA -1.152 56.928 58.000 0.134 0.000 0.946 199 F CB 1.167 40.239 39.000 0.119 0.000 1.336 199 F HN 0.579 nan 8.300 nan 0.000 0.457 200 H N 0.896 120.120 119.070 0.257 0.000 2.641 200 H HA 0.561 5.117 4.556 -0.000 0.000 0.295 200 H C 0.210 175.692 175.328 0.257 0.000 1.070 200 H CA -0.549 55.577 56.048 0.129 0.000 1.257 200 H CB 0.819 30.635 29.762 0.091 0.000 1.393 200 H HN 1.055 nan 8.280 nan 0.000 0.464 201 G N 4.041 112.826 108.800 -0.025 0.000 2.380 201 G HA2 0.220 4.180 3.960 -0.000 0.000 0.242 201 G HA3 0.220 4.180 3.960 -0.000 0.000 0.242 201 G C -0.175 174.621 174.900 -0.175 0.000 1.298 201 G CA -0.378 44.745 45.100 0.038 0.000 0.878 201 G HN 0.628 nan 8.290 nan 0.000 0.542 202 V N 2.299 122.180 119.914 -0.056 0.000 2.928 202 V HA 0.312 4.432 4.120 -0.000 0.000 0.307 202 V C 1.781 177.827 176.094 -0.081 0.000 1.105 202 V CA 1.368 63.626 62.300 -0.069 0.000 1.223 202 V CB 0.480 32.287 31.823 -0.027 0.000 0.930 202 V HN 1.877 nan 8.190 nan 0.000 0.499 203 G N 2.230 110.987 108.800 -0.071 0.000 2.225 203 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.267 203 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.267 203 G C 0.017 174.867 174.900 -0.083 0.000 1.024 203 G CA 0.352 45.418 45.100 -0.057 0.000 0.784 203 G HN 0.743 nan 8.290 nan 0.000 0.507 204 E N -0.361 119.745 120.200 -0.157 0.000 2.243 204 E HA 0.687 5.037 4.350 -0.000 0.000 0.260 204 E C 0.937 177.531 176.600 -0.009 0.000 0.985 204 E CA -0.269 56.053 56.400 -0.131 0.000 0.858 204 E CB 1.332 30.847 29.700 -0.308 0.000 1.210 204 E HN 0.723 nan 8.360 nan 0.000 0.411 205 A N 0.870 123.741 122.820 0.086 0.000 2.609 205 A HA -0.168 4.152 4.320 -0.000 0.000 0.235 205 A C 0.951 178.653 177.584 0.197 0.000 1.092 205 A CA 0.801 52.905 52.037 0.113 0.000 0.780 205 A CB -0.100 18.952 19.000 0.087 0.000 1.031 205 A HN 0.753 nan 8.150 nan 0.000 0.515 206 D N -1.367 119.101 120.400 0.113 0.000 2.144 206 D HA 0.020 4.660 4.640 -0.000 0.000 0.199 206 D C 0.099 176.444 176.300 0.074 0.000 0.984 206 D CA 1.757 55.821 54.000 0.107 0.000 0.834 206 D CB 0.075 40.907 40.800 0.054 0.000 0.955 206 D HN 0.226 nan 8.370 nan 0.000 0.465 207 V N 1.006 120.935 119.914 0.025 0.000 2.817 207 V HA 0.378 4.498 4.120 -0.000 0.000 0.303 207 V C -0.970 175.102 176.094 -0.036 0.000 1.151 207 V CA -0.811 61.456 62.300 -0.056 0.000 0.929 207 V CB 2.269 34.073 31.823 -0.031 0.000 1.030 207 V HN 0.074 nan 8.190 nan 0.000 0.427 208 I N 2.824 123.347 120.570 -0.077 0.000 3.093 208 I HA 0.664 4.833 4.170 -0.000 0.000 0.308 208 I C -1.305 174.792 176.117 -0.034 0.000 1.303 208 I CA -1.204 60.081 61.300 -0.026 0.000 0.975 208 I CB 2.023 40.010 38.000 -0.023 0.000 1.286 208 I HN 0.448 nan 8.210 nan 0.000 0.459 209 I N 3.387 123.971 120.570 0.023 0.000 2.406 209 I HA 0.448 4.618 4.170 -0.000 0.000 0.290 209 I C -0.322 175.853 176.117 0.097 0.000 0.999 209 I CA -0.023 61.318 61.300 0.069 0.000 1.124 209 I CB 1.507 39.594 38.000 0.145 0.000 1.289 209 I HN 0.466 nan 8.210 nan 0.000 0.441 210 N N 5.273 124.011 118.700 0.064 0.000 2.328 210 N HA 0.709 5.449 4.740 -0.000 0.000 0.299 210 N C -1.359 174.232 175.510 0.134 0.000 1.179 210 N CA -0.575 52.510 53.050 0.058 0.000 0.793 210 N CB 3.034 41.500 38.487 -0.034 0.000 1.366 210 N HN 0.332 nan 8.380 nan 0.000 0.493 211 V N -1.683 118.344 119.914 0.189 0.000 2.789 211 V HA 0.929 5.049 4.120 -0.000 0.000 0.311 211 V C -0.257 175.890 176.094 0.089 0.000 1.073 211 V CA -0.432 61.944 62.300 0.128 0.000 0.921 211 V CB 1.542 33.435 31.823 0.117 0.000 1.009 211 V HN 0.693 nan 8.190 nan 0.000 0.426 212 G N 3.383 112.217 108.800 0.057 0.000 2.432 212 G HA2 0.714 4.674 3.960 -0.000 0.000 0.331 212 G HA3 0.714 4.674 3.960 -0.000 0.000 0.331 212 G C -1.059 173.865 174.900 0.040 0.000 1.170 212 G CA -0.612 44.514 45.100 0.043 0.000 0.943 212 G HN 1.369 nan 8.290 nan 0.000 0.483 213 V N 0.460 120.396 119.914 0.037 0.000 3.001 213 V HA 0.612 4.732 4.120 -0.000 0.000 0.314 213 V C 1.284 177.412 176.094 0.056 0.000 1.099 213 V CA -0.124 62.201 62.300 0.041 0.000 0.989 213 V CB 0.912 32.751 31.823 0.027 0.000 1.040 213 V HN 1.260 nan 8.190 nan 0.000 0.434 214 S N 2.061 117.807 115.700 0.075 0.000 4.194 214 S HA 0.010 4.480 4.470 -0.000 0.000 0.529 214 S C 1.131 175.774 174.600 0.071 0.000 0.974 214 S CA 2.037 60.287 58.200 0.082 0.000 3.323 214 S CB -1.146 62.126 63.200 0.120 0.000 2.298 214 S HN 2.721 nan 8.310 nan 0.000 0.249 215 G N -0.771 108.077 108.800 0.081 0.000 1.781 215 G HA2 0.043 4.003 3.960 -0.000 0.000 0.082 215 G HA3 0.043 4.003 3.960 -0.000 0.000 0.082 215 G C -2.176 172.749 174.900 0.042 0.000 0.919 215 G CA 0.140 45.280 45.100 0.067 0.000 1.202 215 G HN 0.607 nan 8.290 nan 0.000 0.393 216 P HA -0.141 nan 4.420 nan 0.000 0.214 216 P C 2.147 179.450 177.300 0.004 0.000 1.164 216 P CA 3.236 66.347 63.100 0.018 0.000 0.942 216 P CB -0.663 31.047 31.700 0.016 0.000 0.791 217 G N -0.768 108.028 108.800 -0.007 0.000 2.556 217 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.220 217 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.220 217 G C 1.625 176.495 174.900 -0.050 0.000 1.156 217 G CA 1.532 46.615 45.100 -0.028 0.000 0.766 217 G HN 0.223 nan 8.290 nan 0.000 0.583 218 V N 0.232 120.108 119.914 -0.063 0.000 2.427 218 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 218 V C 2.993 179.062 176.094 -0.041 0.000 1.051 218 V CA 1.507 63.744 62.300 -0.105 0.000 1.048 218 V CB -0.207 31.535 31.823 -0.134 0.000 0.666 218 V HN 0.284 nan 8.190 nan 0.000 0.456 219 V N -0.311 119.602 119.914 -0.001 0.000 2.323 219 V HA -0.220 3.900 4.120 -0.000 0.000 0.244 219 V C 2.406 178.503 176.094 0.005 0.000 1.041 219 V CA 1.994 64.305 62.300 0.017 0.000 1.025 219 V CB -0.674 31.170 31.823 0.034 0.000 0.656 219 V HN 0.492 nan 8.190 nan 0.000 0.451 220 K N 0.405 120.804 120.400 -0.002 0.000 2.034 220 K HA -0.263 4.057 4.320 -0.000 0.000 0.214 220 K C 2.396 178.987 176.600 -0.014 0.000 1.051 220 K CA 2.041 58.324 56.287 -0.006 0.000 0.931 220 K CB -0.204 32.291 32.500 -0.008 0.000 0.715 220 K HN 0.340 nan 8.250 nan 0.000 0.446 221 R N -0.484 120.000 120.500 -0.027 0.000 2.159 221 R HA -0.125 4.215 4.340 -0.000 0.000 0.237 221 R C 2.214 178.500 176.300 -0.022 0.000 1.131 221 R CA 1.121 57.201 56.100 -0.032 0.000 0.982 221 R CB -0.160 30.109 30.300 -0.053 0.000 0.868 221 R HN 0.277 nan 8.270 nan 0.000 0.453 222 A N 0.788 123.600 122.820 -0.014 0.000 1.903 222 A HA 0.006 4.326 4.320 -0.000 0.000 0.213 222 A C 2.085 179.668 177.584 -0.001 0.000 1.185 222 A CA 0.477 52.513 52.037 -0.001 0.000 0.628 222 A CB -0.230 18.779 19.000 0.015 0.000 0.830 222 A HN 0.126 nan 8.150 nan 0.000 0.446 223 L N 0.288 121.511 121.223 -0.001 0.000 2.079 223 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 223 L C 2.395 179.256 176.870 -0.016 0.000 1.081 223 L CA 1.726 56.562 54.840 -0.007 0.000 0.752 223 L CB -0.858 41.199 42.059 -0.004 0.000 0.896 223 L HN 0.521 nan 8.230 nan 0.000 0.433 224 E N 0.472 120.663 120.200 -0.014 0.000 2.219 224 E HA -0.281 4.069 4.350 -0.000 0.000 0.198 224 E C 1.884 178.474 176.600 -0.018 0.000 0.998 224 E CA 1.135 57.526 56.400 -0.016 0.000 0.818 224 E CB -0.252 29.439 29.700 -0.015 0.000 0.741 224 E HN 0.434 nan 8.360 nan 0.000 0.477 225 K N 0.872 121.263 120.400 -0.016 0.000 2.418 225 K HA -0.015 4.305 4.320 -0.000 0.000 0.195 225 K C 1.060 177.649 176.600 -0.018 0.000 1.035 225 K CA 0.607 56.885 56.287 -0.015 0.000 1.003 225 K CB 0.609 33.103 32.500 -0.010 0.000 0.793 225 K HN 0.124 nan 8.250 nan 0.000 0.494 226 V N -1.432 118.468 119.914 -0.024 0.000 2.915 226 V HA 0.323 4.443 4.120 -0.000 0.000 0.364 226 V C -0.239 175.825 176.094 -0.049 0.000 1.354 226 V CA -0.891 61.389 62.300 -0.034 0.000 1.213 226 V CB -0.221 31.581 31.823 -0.034 0.000 1.268 226 V HN 0.030 nan 8.190 nan 0.000 0.557 227 R N 1.412 121.887 120.500 -0.042 0.000 2.583 227 R HA 0.364 4.704 4.340 -0.000 0.000 0.274 227 R C 1.553 177.821 176.300 -0.054 0.000 0.998 227 R CA 1.186 57.257 56.100 -0.048 0.000 1.081 227 R CB 0.213 30.492 30.300 -0.034 0.000 0.940 227 R HN 0.898 nan 8.270 nan 0.000 0.413 228 G N 1.704 110.462 108.800 -0.071 0.000 2.267 228 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.257 228 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.257 228 G C 0.277 175.126 174.900 -0.086 0.000 0.998 228 G CA 0.330 45.389 45.100 -0.069 0.000 0.620 228 G HN 0.551 nan 8.290 nan 0.000 0.529 229 Q N 1.222 120.965 119.800 -0.095 0.000 2.368 229 Q HA 0.582 4.922 4.340 -0.000 0.000 0.237 229 Q C 1.202 177.108 176.000 -0.157 0.000 0.987 229 Q CA 0.540 56.286 55.803 -0.094 0.000 0.896 229 Q CB 0.817 29.512 28.738 -0.072 0.000 1.241 229 Q HN 0.762 nan 8.270 nan 0.000 0.485 230 S N 0.818 116.447 115.700 -0.118 0.000 2.606 230 S HA 0.086 4.556 4.470 -0.000 0.000 0.257 230 S C 0.701 175.190 174.600 -0.185 0.000 1.327 230 S CA -0.235 57.886 58.200 -0.131 0.000 0.984 230 S CB 0.197 63.384 63.200 -0.022 0.000 0.941 230 S HN 0.612 nan 8.310 nan 0.000 0.576 231 F N 0.985 120.939 119.950 0.007 0.000 2.171 231 F HA -0.050 4.477 4.527 0.000 0.000 0.300 231 F C 2.049 177.854 175.800 0.008 0.000 1.090 231 F CA 1.802 59.807 58.000 0.008 0.000 1.293 231 F CB -0.606 38.399 39.000 0.009 0.000 1.013 231 F HN 0.577 nan 8.300 nan 0.000 0.486 232 D N -0.067 120.421 120.400 0.147 0.000 2.116 232 D HA -0.186 4.453 4.640 -0.000 0.000 0.193 232 D C 2.347 178.678 176.300 0.051 0.000 0.998 232 D CA 1.464 55.516 54.000 0.085 0.000 0.836 232 D CB -0.773 40.061 40.800 0.057 0.000 0.951 232 D HN 0.070 nan 8.370 nan 0.000 0.449 233 V N 0.304 120.230 119.914 0.019 0.000 2.307 233 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 233 V C 2.518 178.616 176.094 0.006 0.000 1.045 233 V CA 0.991 63.291 62.300 0.002 0.000 1.024 233 V CB -0.431 31.378 31.823 -0.023 0.000 0.651 233 V HN 0.112 nan 8.190 nan 0.000 0.449 234 V N 0.380 120.288 119.914 -0.009 0.000 2.282 234 V HA -0.343 3.777 4.120 -0.000 0.000 0.249 234 V C 2.683 178.808 176.094 0.052 0.000 1.057 234 V CA 2.414 64.715 62.300 0.002 0.000 1.032 234 V CB -1.086 30.721 31.823 -0.026 0.000 0.645 234 V HN 0.586 nan 8.190 nan 0.000 0.447 235 A N -1.131 121.738 122.820 0.082 0.000 1.898 235 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 235 A C 2.223 179.841 177.584 0.057 0.000 1.181 235 A CA 1.460 53.546 52.037 0.082 0.000 0.620 235 A CB -0.433 18.624 19.000 0.094 0.000 0.819 235 A HN 0.483 nan 8.150 nan 0.000 0.442 236 E N -0.068 120.158 120.200 0.043 0.000 2.110 236 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 236 E C 2.170 178.792 176.600 0.036 0.000 0.988 236 E CA 1.687 58.105 56.400 0.031 0.000 0.804 236 E CB -0.659 29.053 29.700 0.019 0.000 0.745 236 E HN 0.642 nan 8.360 nan 0.000 0.458 237 T N 0.769 115.344 114.554 0.035 0.000 2.746 237 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 237 T C 2.151 176.883 174.700 0.055 0.000 1.039 237 T CA 1.399 63.522 62.100 0.039 0.000 1.142 237 T CB -0.354 68.530 68.868 0.026 0.000 0.866 237 T HN -0.014 nan 8.240 nan 0.000 0.444 238 V N 1.686 121.634 119.914 0.057 0.000 2.343 238 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 238 V C 2.537 178.679 176.094 0.080 0.000 1.051 238 V CA 1.790 64.129 62.300 0.066 0.000 1.036 238 V CB -0.594 31.268 31.823 0.065 0.000 0.654 238 V HN 0.454 nan 8.190 nan 0.000 0.451 239 K N 0.403 120.848 120.400 0.076 0.000 2.026 239 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 239 K C 2.203 178.880 176.600 0.128 0.000 1.048 239 K CA 1.698 58.038 56.287 0.090 0.000 0.929 239 K CB -0.144 32.394 32.500 0.062 0.000 0.713 239 K HN 0.398 nan 8.250 nan 0.000 0.439 240 K N -0.363 120.100 120.400 0.104 0.000 2.097 240 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 240 K C 2.041 178.762 176.600 0.200 0.000 1.050 240 K CA 1.766 58.133 56.287 0.135 0.000 0.938 240 K CB -0.041 32.505 32.500 0.077 0.000 0.718 240 K HN 0.220 nan 8.250 nan 0.000 0.442 241 T N 0.967 115.615 114.554 0.156 0.000 2.821 241 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 241 T C 1.998 176.805 174.700 0.178 0.000 1.046 241 T CA 1.244 63.446 62.100 0.169 0.000 1.139 241 T CB -0.119 68.824 68.868 0.125 0.000 0.871 241 T HN 0.286 nan 8.240 nan 0.000 0.454 242 A N 0.753 123.667 122.820 0.156 0.000 2.014 242 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 242 A C 1.933 179.590 177.584 0.121 0.000 1.163 242 A CA 0.677 52.789 52.037 0.125 0.000 0.652 242 A CB -0.790 18.274 19.000 0.106 0.000 0.808 242 A HN 0.511 nan 8.150 nan 0.000 0.449 243 F N 1.039 121.010 119.950 0.035 0.000 2.146 243 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 243 F C 2.056 177.852 175.800 -0.007 0.000 1.096 243 F CA 1.981 59.990 58.000 0.015 0.000 1.275 243 F CB -0.094 38.915 39.000 0.015 0.000 1.008 243 F HN 0.099 nan 8.300 nan 0.000 0.480 244 K N 0.630 121.028 120.400 -0.003 0.000 2.025 244 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 244 K C 2.122 178.539 176.600 -0.305 0.000 1.049 244 K CA 2.018 58.207 56.287 -0.164 0.000 0.933 244 K CB -0.509 32.041 32.500 0.082 0.000 0.714 244 K HN 0.340 nan 8.250 nan 0.000 0.438 245 I N 1.459 121.978 120.570 -0.086 0.000 2.248 245 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 245 I C 2.134 178.137 176.117 -0.189 0.000 1.107 245 I CA 1.406 62.654 61.300 -0.087 0.000 1.373 245 I CB -0.465 37.601 38.000 0.111 0.000 1.055 245 I HN 0.235 nan 8.210 nan 0.000 0.418 246 T N 0.018 114.455 114.554 -0.195 0.000 2.857 246 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 246 T C 2.040 176.571 174.700 -0.281 0.000 1.048 246 T CA 0.729 62.712 62.100 -0.196 0.000 1.139 246 T CB -0.147 68.621 68.868 -0.168 0.000 0.874 246 T HN 0.217 nan 8.240 nan 0.000 0.455 247 R N 0.964 121.196 120.500 -0.446 0.000 2.091 247 R HA -0.024 4.316 4.340 -0.000 0.000 0.238 247 R C 2.379 178.478 176.300 -0.334 0.000 1.136 247 R CA 1.082 56.929 56.100 -0.421 0.000 0.959 247 R CB -0.754 29.246 30.300 -0.500 0.000 0.856 247 R HN 0.406 nan 8.270 nan 0.000 0.437 248 I N -0.230 120.105 120.570 -0.390 0.000 2.361 248 I HA -0.154 4.016 4.170 -0.000 0.000 0.251 248 I C 2.395 178.367 176.117 -0.243 0.000 1.133 248 I CA 1.481 62.571 61.300 -0.350 0.000 1.413 248 I CB -1.463 36.258 38.000 -0.465 0.000 1.073 248 I HN 0.232 nan 8.210 nan 0.000 0.424 249 G N 0.707 109.385 108.800 -0.203 0.000 2.418 249 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 249 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 249 G C 1.582 176.360 174.900 -0.204 0.000 1.158 249 G CA 0.348 45.370 45.100 -0.130 0.000 0.771 249 G HN 0.460 nan 8.290 nan 0.000 0.545 250 Q N -0.653 119.008 119.800 -0.232 0.000 2.123 250 Q HA 0.041 4.381 4.340 -0.000 0.000 0.199 250 Q C 2.454 178.196 176.000 -0.430 0.000 0.966 250 Q CA 0.733 56.319 55.803 -0.362 0.000 0.845 250 Q CB -0.250 28.363 28.738 -0.208 0.000 0.907 250 Q HN 0.396 nan 8.270 nan 0.000 0.439 251 L N 0.536 121.584 121.223 -0.293 0.000 1.994 251 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 251 L C 2.147 178.865 176.870 -0.254 0.000 1.071 251 L CA 1.551 56.245 54.840 -0.244 0.000 0.745 251 L CB -0.703 41.243 42.059 -0.188 0.000 0.892 251 L HN -0.009 nan 8.230 nan 0.000 0.431 252 V N 0.249 120.027 119.914 -0.226 0.000 2.332 252 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 252 V C 2.606 178.546 176.094 -0.258 0.000 1.055 252 V CA 1.859 64.047 62.300 -0.185 0.000 1.038 252 V CB -1.668 30.081 31.823 -0.122 0.000 0.651 252 V HN 0.648 nan 8.190 nan 0.000 0.450 253 G N -1.374 107.153 108.800 -0.454 0.000 2.422 253 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 253 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 253 G C 0.996 175.510 174.900 -0.644 0.000 1.140 253 G CA 0.223 44.925 45.100 -0.664 0.000 0.775 253 G HN 0.512 nan 8.290 nan 0.000 0.545 257 S N 0.311 116.011 115.700 -0.000 0.000 2.355 257 S HA -0.150 4.320 4.470 -0.000 0.000 0.222 257 S C 1.668 176.280 174.600 0.020 0.000 1.031 257 S CA 1.997 60.223 58.200 0.043 0.000 0.993 257 S CB -0.321 62.944 63.200 0.107 0.000 0.859 257 S HN 0.537 nan 8.310 nan 0.000 0.453 258 E N 0.945 121.144 120.200 -0.001 0.000 2.021 258 E HA -0.173 4.177 4.350 -0.000 0.000 0.200 258 E C 2.511 179.107 176.600 -0.006 0.000 1.015 258 E CA 1.501 57.898 56.400 -0.006 0.000 0.824 258 E CB -0.196 29.493 29.700 -0.018 0.000 0.762 258 E HN 0.415 nan 8.360 nan 0.000 0.454 259 R N 0.199 120.691 120.500 -0.013 0.000 2.139 259 R HA -0.140 4.200 4.340 -0.000 0.000 0.243 259 R C 2.003 178.299 176.300 -0.007 0.000 1.145 259 R CA 0.888 56.981 56.100 -0.011 0.000 0.976 259 R CB -0.399 29.892 30.300 -0.015 0.000 0.866 259 R HN 0.201 nan 8.270 nan 0.000 0.449 260 L N -0.120 121.101 121.223 -0.003 0.000 2.509 260 L HA 0.173 4.513 4.340 -0.000 0.000 0.222 260 L C 0.826 177.697 176.870 0.002 0.000 1.123 260 L CA 0.990 55.830 54.840 -0.001 0.000 0.856 260 L CB -1.070 40.990 42.059 0.001 0.000 0.985 260 L HN 0.468 nan 8.230 nan 0.000 0.456 261 G N 0.691 109.495 108.800 0.006 0.000 2.353 261 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.294 261 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.294 261 G C -0.258 174.649 174.900 0.012 0.000 1.077 261 G CA 0.384 45.489 45.100 0.008 0.000 1.098 261 G HN 0.148 nan 8.290 nan 0.000 0.511 262 V N 0.036 119.963 119.914 0.022 0.000 3.048 262 V HA 0.402 4.522 4.120 -0.000 0.000 0.303 262 V C 0.249 176.373 176.094 0.050 0.000 1.214 262 V CA -1.378 60.938 62.300 0.026 0.000 0.984 262 V CB 2.055 33.890 31.823 0.020 0.000 1.054 262 V HN 0.460 nan 8.190 nan 0.000 0.430 263 E N 1.997 122.227 120.200 0.049 0.000 2.404 263 E HA 0.227 4.576 4.350 -0.000 0.000 0.261 263 E C -1.079 175.591 176.600 0.116 0.000 1.074 263 E CA -0.081 56.361 56.400 0.069 0.000 0.917 263 E CB 1.296 31.016 29.700 0.034 0.000 0.965 263 E HN 0.481 nan 8.360 nan 0.000 0.433 264 F N 0.772 120.717 119.950 -0.009 0.000 2.404 264 F HA 0.493 5.020 4.527 -0.000 0.000 0.339 264 F C 0.571 176.366 175.800 -0.008 0.000 1.105 264 F CA -0.268 57.724 58.000 -0.013 0.000 1.087 264 F CB 1.233 40.221 39.000 -0.019 0.000 1.143 264 F HN 0.399 nan 8.300 nan 0.000 0.491 265 G N 4.832 113.081 108.800 -0.918 0.000 2.754 265 G HA2 0.340 4.300 3.960 -0.000 0.000 0.210 265 G HA3 0.340 4.300 3.960 -0.000 0.000 0.210 265 G C -0.372 173.793 174.900 -1.225 0.000 2.092 265 G CA 0.230 44.854 45.100 -0.793 0.000 0.766 265 G HN 0.745 nan 8.290 nan 0.000 0.745 266 I N -1.624 118.478 120.570 -0.780 0.000 3.133 266 I HA 0.779 4.949 4.170 -0.000 0.000 0.311 266 I C -0.460 175.566 176.117 -0.152 0.000 1.072 266 I CA -1.799 59.205 61.300 -0.492 0.000 1.015 266 I CB 1.805 39.675 38.000 -0.216 0.000 1.233 266 I HN 0.356 nan 8.210 nan 0.000 0.473 267 V N 1.938 121.893 119.914 0.069 0.000 2.628 267 V HA 0.870 4.990 4.120 -0.000 0.000 0.306 267 V C -1.732 174.389 176.094 0.045 0.000 1.045 267 V CA -0.087 62.294 62.300 0.135 0.000 0.905 267 V CB 1.595 33.527 31.823 0.183 0.000 0.997 267 V HN 1.150 nan 8.190 nan 0.000 0.436 268 D N 4.605 125.024 120.400 0.032 0.000 2.581 268 D HA 0.596 5.235 4.640 -0.000 0.000 0.232 268 D C -0.116 176.196 176.300 0.019 0.000 1.143 268 D CA -0.471 53.538 54.000 0.014 0.000 0.881 268 D CB 1.544 42.341 40.800 -0.005 0.000 1.500 268 D HN 0.736 nan 8.370 nan 0.000 0.458 269 L N -0.307 120.926 121.223 0.017 0.000 3.631 269 L HA -0.161 4.179 4.340 -0.000 0.000 0.329 269 L C 0.468 177.354 176.870 0.027 0.000 1.170 269 L CA 1.551 56.403 54.840 0.020 0.000 1.293 269 L CB -1.223 40.842 42.059 0.011 0.000 1.329 269 L HN 0.908 nan 8.230 nan 0.000 0.551 270 S N -2.023 113.693 115.700 0.027 0.000 2.564 270 S HA 0.724 5.194 4.470 -0.000 0.000 0.141 270 S C -0.020 174.598 174.600 0.029 0.000 1.474 270 S CA -0.017 58.202 58.200 0.032 0.000 1.236 270 S CB -0.075 63.148 63.200 0.038 0.000 1.481 270 S HN 1.220 nan 8.310 nan 0.000 0.397 271 L N 1.815 123.055 121.223 0.028 0.000 2.563 271 L HA 0.975 5.314 4.340 -0.000 0.000 0.150 271 L C 0.941 177.827 176.870 0.026 0.000 1.484 271 L CA -0.027 54.828 54.840 0.026 0.000 3.029 271 L CB -1.513 40.560 42.059 0.024 0.000 2.995 271 L HN 1.749 nan 8.230 nan 0.000 0.944 272 A N -0.338 122.497 122.820 0.025 0.000 2.472 272 A HA 0.575 4.895 4.320 -0.000 0.000 0.312 272 A C -2.995 174.603 177.584 0.022 0.000 1.023 272 A CA 0.066 52.116 52.037 0.023 0.000 0.938 272 A CB -0.492 18.520 19.000 0.019 0.000 1.176 272 A HN 0.874 nan 8.150 nan 0.000 0.366 278 G N 0.162 108.967 108.800 0.009 0.000 4.637 278 G HA2 0.474 4.434 3.960 -0.000 0.000 0.294 278 G HA3 0.474 4.434 3.960 -0.000 0.000 0.294 278 G C -0.137 174.766 174.900 0.005 0.000 1.215 278 G CA 0.625 45.729 45.100 0.007 0.000 0.943 278 G HN 0.355 nan 8.290 nan 0.000 0.572 279 D N 0.444 120.849 120.400 0.007 0.000 1.962 279 D HA 0.400 5.040 4.640 -0.000 0.000 0.273 279 D C 1.541 177.844 176.300 0.005 0.000 1.105 279 D CA 0.679 54.683 54.000 0.005 0.000 0.975 279 D CB 0.564 41.371 40.800 0.011 0.000 1.186 279 D HN 0.176 nan 8.370 nan 0.000 0.468 280 S N -2.593 113.112 115.700 0.007 0.000 3.962 280 S HA 0.242 4.712 4.470 -0.000 0.000 0.175 280 S C 0.926 175.532 174.600 0.010 0.000 1.091 280 S CA 0.145 58.349 58.200 0.007 0.000 1.174 280 S CB 0.077 63.279 63.200 0.004 0.000 1.845 280 S HN 0.280 nan 8.310 nan 0.000 0.835 281 V N 2.053 121.975 119.914 0.013 0.000 0.572 281 V HA -0.408 3.711 4.120 -0.000 0.000 0.092 281 V C 2.162 178.265 176.094 0.014 0.000 1.935 281 V CA 2.331 64.640 62.300 0.016 0.000 3.442 281 V CB -2.265 29.568 31.823 0.017 0.000 0.733 281 V HN 0.834 nan 8.190 nan 0.000 0.760 282 A N 0.743 123.569 122.820 0.011 0.000 1.908 282 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 282 A C 1.989 179.578 177.584 0.009 0.000 1.181 282 A CA 2.655 54.697 52.037 0.009 0.000 0.627 282 A CB -0.521 18.483 19.000 0.006 0.000 0.818 282 A HN 0.738 nan 8.150 nan 0.000 0.445 283 R N -0.285 120.219 120.500 0.008 0.000 2.148 283 R HA -0.040 4.300 4.340 -0.000 0.000 0.227 283 R C 1.948 178.254 176.300 0.010 0.000 1.103 283 R CA 1.296 57.400 56.100 0.007 0.000 0.983 283 R CB -1.556 28.746 30.300 0.003 0.000 0.874 283 R HN 0.413 nan 8.270 nan 0.000 0.451 284 V N 2.226 122.148 119.914 0.013 0.000 2.261 284 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 284 V C 2.561 178.669 176.094 0.023 0.000 1.047 284 V CA 1.640 63.950 62.300 0.017 0.000 1.015 284 V CB -0.505 31.331 31.823 0.022 0.000 0.642 284 V HN 0.122 nan 8.190 nan 0.000 0.446 285 L N -0.355 120.883 121.223 0.025 0.000 1.994 285 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 285 L C 2.485 179.374 176.870 0.031 0.000 1.071 285 L CA 1.921 56.780 54.840 0.033 0.000 0.745 285 L CB -0.884 41.192 42.059 0.029 0.000 0.892 285 L HN 0.312 nan 8.230 nan 0.000 0.431 286 E N -0.032 120.180 120.200 0.021 0.000 2.130 286 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 286 E C 1.131 177.740 176.600 0.015 0.000 0.998 286 E CA 1.046 57.456 56.400 0.017 0.000 0.806 286 E CB -0.082 29.624 29.700 0.011 0.000 0.738 286 E HN 0.396 nan 8.360 nan 0.000 0.459 290 L N 0.128 121.374 121.223 0.039 0.000 2.334 290 L HA 0.573 4.913 4.340 -0.000 0.000 0.270 290 L C 1.447 178.332 176.870 0.024 0.000 1.018 290 L CA -0.807 54.056 54.840 0.039 0.000 0.811 290 L CB 2.077 44.160 42.059 0.040 0.000 1.271 290 L HN 0.253 nan 8.230 nan 0.000 0.443 291 E N 0.244 120.457 120.200 0.023 0.000 2.075 291 E HA 0.026 4.376 4.350 -0.000 0.000 0.190 291 E C -0.288 176.318 176.600 0.010 0.000 0.969 291 E CA 0.697 57.107 56.400 0.016 0.000 0.815 291 E CB 0.539 30.250 29.700 0.019 0.000 0.776 291 E HN 0.696 nan 8.360 nan 0.000 0.457 292 T N 0.869 115.427 114.554 0.006 0.000 2.893 292 T HA 0.280 4.630 4.350 -0.000 0.000 0.293 292 T C -0.976 173.720 174.700 -0.008 0.000 1.027 292 T CA -0.633 61.466 62.100 -0.001 0.000 0.988 292 T CB 2.166 71.031 68.868 -0.005 0.000 1.043 292 T HN 0.060 nan 8.240 nan 0.000 0.461 293 V N 2.809 122.719 119.914 -0.007 0.000 2.720 293 V HA 0.377 4.497 4.120 -0.000 0.000 0.307 293 V C 1.347 177.425 176.094 -0.028 0.000 1.071 293 V CA 2.517 64.811 62.300 -0.010 0.000 1.199 293 V CB 0.274 32.094 31.823 -0.005 0.000 0.900 293 V HN 1.287 nan 8.190 nan 0.000 0.494 294 G N 3.509 112.284 108.800 -0.042 0.000 2.284 294 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 294 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 294 G C 0.594 175.413 174.900 -0.135 0.000 1.009 294 G CA 0.377 45.435 45.100 -0.070 0.000 0.625 294 G HN 1.142 nan 8.290 nan 0.000 0.501 295 T N 1.496 115.975 114.554 -0.125 0.000 2.667 295 T HA 0.422 4.772 4.350 -0.000 0.000 0.305 295 T C 0.636 175.194 174.700 -0.236 0.000 1.022 295 T CA -0.108 61.865 62.100 -0.211 0.000 0.995 295 T CB 0.010 68.832 68.868 -0.076 0.000 1.026 295 T HN 0.301 nan 8.240 nan 0.000 0.527 296 H N 0.544 119.621 119.070 0.012 0.000 3.046 296 H HA 0.289 4.845 4.556 -0.000 0.000 0.303 296 H C 1.315 176.652 175.328 0.016 0.000 1.002 296 H CA 1.050 57.104 56.048 0.011 0.000 1.460 296 H CB 0.222 29.989 29.762 0.009 0.000 1.493 296 H HN 0.942 nan 8.280 nan 0.000 0.559 297 G N 2.701 111.556 108.800 0.092 0.000 2.428 297 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.199 297 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.199 297 G C 1.404 176.327 174.900 0.039 0.000 1.005 297 G CA 0.136 45.276 45.100 0.066 0.000 0.671 297 G HN 0.526 nan 8.290 nan 0.000 0.485 298 T N 1.046 115.612 114.554 0.019 0.000 2.929 298 T HA -0.023 4.327 4.350 -0.000 0.000 0.271 298 T C 2.414 177.120 174.700 0.010 0.000 1.085 298 T CA 2.671 64.778 62.100 0.010 0.000 1.125 298 T CB -0.230 68.628 68.868 -0.016 0.000 0.874 298 T HN 0.751 nan 8.240 nan 0.000 0.494 299 T N 0.453 115.011 114.554 0.007 0.000 3.035 299 T HA 0.271 4.621 4.350 -0.000 0.000 0.259 299 T C 2.207 176.907 174.700 -0.000 0.000 1.078 299 T CA 0.931 63.033 62.100 0.004 0.000 1.132 299 T CB -0.276 68.593 68.868 0.002 0.000 0.900 299 T HN 0.275 nan 8.240 nan 0.000 0.480 300 A N 1.397 124.212 122.820 -0.007 0.000 1.898 300 A HA 0.364 4.684 4.320 -0.000 0.000 0.216 300 A C 2.794 180.371 177.584 -0.012 0.000 1.181 300 A CA 1.813 53.830 52.037 -0.032 0.000 0.620 300 A CB -1.408 17.549 19.000 -0.071 0.000 0.819 300 A HN 0.724 nan 8.150 nan 0.000 0.442 301 A N -0.316 122.518 122.820 0.023 0.000 1.865 301 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 301 A C 2.143 179.754 177.584 0.045 0.000 1.191 301 A CA 1.842 53.915 52.037 0.061 0.000 0.623 301 A CB -0.699 18.348 19.000 0.079 0.000 0.826 301 A HN 0.824 nan 8.150 nan 0.000 0.444 302 L N -0.578 120.662 121.223 0.029 0.000 2.201 302 L HA 0.074 4.414 4.340 -0.000 0.000 0.212 302 L C 2.511 179.394 176.870 0.021 0.000 1.105 302 L CA 1.806 56.661 54.840 0.026 0.000 0.775 302 L CB -0.553 41.517 42.059 0.018 0.000 0.913 302 L HN 0.330 nan 8.230 nan 0.000 0.440 303 A N -0.562 122.265 122.820 0.011 0.000 1.930 303 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 303 A C 2.154 179.745 177.584 0.012 0.000 1.175 303 A CA 1.676 53.716 52.037 0.005 0.000 0.627 303 A CB -0.882 18.113 19.000 -0.007 0.000 0.815 303 A HN 0.438 nan 8.150 nan 0.000 0.443 304 L N -0.201 121.033 121.223 0.018 0.000 2.012 304 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 304 L C 2.237 179.137 176.870 0.049 0.000 1.073 304 L CA 1.727 56.590 54.840 0.039 0.000 0.748 304 L CB -0.848 41.255 42.059 0.074 0.000 0.891 304 L HN 0.453 nan 8.230 nan 0.000 0.431 305 L N -0.528 120.725 121.223 0.049 0.000 1.955 305 L HA -0.308 4.031 4.340 -0.000 0.000 0.213 305 L C 2.385 179.280 176.870 0.041 0.000 1.072 305 L CA 2.221 57.090 54.840 0.048 0.000 0.755 305 L CB -0.533 41.551 42.059 0.043 0.000 0.888 305 L HN 0.485 nan 8.230 nan 0.000 0.432 306 N N 0.061 118.781 118.700 0.032 0.000 2.021 306 N HA -0.320 4.420 4.740 -0.000 0.000 0.198 306 N C 1.564 177.091 175.510 0.028 0.000 1.041 306 N CA 2.338 55.404 53.050 0.027 0.000 0.862 306 N CB -0.231 38.268 38.487 0.020 0.000 1.048 306 N HN 0.389 nan 8.380 nan 0.000 0.427 307 D N -1.067 119.348 120.400 0.026 0.000 2.123 307 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 307 D C 1.802 178.122 176.300 0.033 0.000 0.992 307 D CA 1.163 55.177 54.000 0.024 0.000 0.833 307 D CB -0.043 40.768 40.800 0.019 0.000 0.954 307 D HN 0.287 nan 8.370 nan 0.000 0.455 308 Q N -0.092 119.732 119.800 0.041 0.000 2.123 308 Q HA -0.033 4.307 4.340 -0.000 0.000 0.199 308 Q C 2.524 178.557 176.000 0.056 0.000 0.966 308 Q CA 0.451 56.284 55.803 0.049 0.000 0.845 308 Q CB -0.512 28.260 28.738 0.057 0.000 0.907 308 Q HN 0.292 nan 8.270 nan 0.000 0.439 309 V N 1.286 121.232 119.914 0.054 0.000 2.287 309 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 309 V C 2.369 178.496 176.094 0.055 0.000 1.053 309 V CA 1.972 64.307 62.300 0.058 0.000 1.027 309 V CB -0.427 31.426 31.823 0.050 0.000 0.646 309 V HN 0.275 nan 8.190 nan 0.000 0.447 310 K N 0.460 120.885 120.400 0.042 0.000 2.074 310 K HA -0.245 4.075 4.320 -0.000 0.000 0.209 310 K C 2.098 178.726 176.600 0.046 0.000 1.048 310 K CA 1.958 58.266 56.287 0.036 0.000 0.926 310 K CB -0.169 32.346 32.500 0.025 0.000 0.713 310 K HN 0.674 nan 8.250 nan 0.000 0.444 311 K N -1.462 118.968 120.400 0.050 0.000 2.076 311 K HA 0.071 4.391 4.320 -0.000 0.000 0.204 311 K C 2.254 178.904 176.600 0.084 0.000 1.051 311 K CA 1.157 57.477 56.287 0.056 0.000 0.949 311 K CB -0.468 32.058 32.500 0.042 0.000 0.726 311 K HN 0.151 nan 8.250 nan 0.000 0.443 312 G N 1.919 110.781 108.800 0.103 0.000 2.599 312 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.219 312 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.219 312 G C 1.676 176.688 174.900 0.187 0.000 1.193 312 G CA 1.397 46.599 45.100 0.171 0.000 0.778 312 G HN 0.466 nan 8.290 nan 0.000 0.589 313 G N -0.042 108.822 108.800 0.106 0.000 2.422 313 G HA2 0.069 4.029 3.960 -0.000 0.000 0.218 313 G HA3 0.069 4.029 3.960 -0.000 0.000 0.218 313 G C 1.002 175.952 174.900 0.082 0.000 1.146 313 G CA 0.915 46.057 45.100 0.070 0.000 0.769 313 G HN 0.433 nan 8.290 nan 0.000 0.547 317 C N -1.711 117.639 119.300 0.082 0.000 0.917 317 C HA 0.360 4.820 4.460 -0.000 0.000 0.136 317 C C 0.995 176.011 174.990 0.042 0.000 0.477 317 C CA 1.739 60.789 59.018 0.053 0.000 2.550 317 C CB -2.108 25.661 27.740 0.049 0.000 2.654 317 C HN 2.323 nan 8.230 nan 0.000 0.793 318 N N 0.718 119.434 118.700 0.026 0.000 2.476 318 N HA 1.139 5.878 4.740 -0.000 0.000 0.162 318 N C 0.820 176.323 175.510 -0.012 0.000 1.860 318 N CA 2.293 55.352 53.050 0.015 0.000 1.352 318 N CB -0.721 37.778 38.487 0.019 0.000 1.398 318 N HN 3.465 nan 8.380 nan 0.000 0.580 333 D N -0.014 120.394 120.400 0.013 0.000 3.830 333 D HA 0.114 4.754 4.640 -0.000 0.000 0.247 333 D C 0.651 176.957 176.300 0.009 0.000 1.073 333 D CA 1.870 55.877 54.000 0.011 0.000 1.116 333 D CB -2.093 38.714 40.800 0.011 0.000 0.909 333 D HN 1.787 nan 8.370 nan 0.000 0.418 334 E N -0.068 120.137 120.200 0.008 0.000 2.267 334 E HA 0.218 4.568 4.350 -0.000 0.000 0.197 334 E C 1.856 178.459 176.600 0.005 0.000 0.998 334 E CA 0.851 57.255 56.400 0.006 0.000 0.830 334 E CB -0.200 29.503 29.700 0.006 0.000 0.751 334 E HN 1.464 nan 8.360 nan 0.000 0.491 338 A N 1.758 124.579 122.820 0.001 0.000 1.972 338 A HA 0.255 4.575 4.320 -0.000 0.000 0.219 338 A C 2.351 179.934 177.584 -0.001 0.000 1.169 338 A CA 2.137 54.175 52.037 0.001 0.000 0.635 338 A CB -0.776 18.224 19.000 0.001 0.000 0.810 338 A HN 0.759 nan 8.150 nan 0.000 0.446 339 A N -0.696 122.122 122.820 -0.003 0.000 2.067 339 A HA 0.173 4.493 4.320 -0.000 0.000 0.217 339 A C 2.088 179.668 177.584 -0.007 0.000 1.156 339 A CA 1.369 53.402 52.037 -0.006 0.000 0.683 339 A CB -0.503 18.492 19.000 -0.008 0.000 0.808 339 A HN 0.335 nan 8.150 nan 0.000 0.455 340 V N -0.344 119.568 119.914 -0.004 0.000 2.379 340 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 340 V C 2.550 178.642 176.094 -0.003 0.000 1.044 340 V CA 2.061 64.358 62.300 -0.004 0.000 1.036 340 V CB -0.930 30.891 31.823 -0.002 0.000 0.664 340 V HN 0.597 nan 8.190 nan 0.000 0.453 341 Q N 1.035 120.835 119.800 -0.001 0.000 2.050 341 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 341 Q C 1.973 177.973 176.000 -0.001 0.000 0.980 341 Q CA 1.818 57.621 55.803 -0.000 0.000 0.840 341 Q CB -0.343 28.395 28.738 0.001 0.000 0.898 341 Q HN 0.897 nan 8.270 nan 0.000 0.424 342 N N -0.451 118.248 118.700 -0.002 0.000 2.575 342 N HA -0.028 4.712 4.740 -0.000 0.000 0.192 342 N C 0.502 176.010 175.510 -0.003 0.000 1.200 342 N CA 0.457 53.506 53.050 -0.001 0.000 0.897 342 N CB 0.111 38.597 38.487 -0.001 0.000 0.990 342 N HN 0.244 nan 8.380 nan 0.000 0.449 343 G N 1.115 109.912 108.800 -0.004 0.000 2.273 343 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.280 343 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.280 343 G C 0.506 175.400 174.900 -0.011 0.000 1.047 343 G CA 0.617 45.713 45.100 -0.006 0.000 0.869 343 G HN 0.675 nan 8.290 nan 0.000 0.502 344 S N -1.642 114.048 115.700 -0.016 0.000 2.629 344 S HA 0.590 5.060 4.470 -0.000 0.000 0.236 344 S C 0.476 175.053 174.600 -0.038 0.000 1.010 344 S CA -0.248 57.935 58.200 -0.028 0.000 0.981 344 S CB 0.591 63.775 63.200 -0.026 0.000 0.919 344 S HN 0.635 nan 8.310 nan 0.000 0.514 345 L N 2.301 123.508 121.223 -0.027 0.000 2.365 345 L HA 0.659 4.999 4.340 -0.000 0.000 0.273 345 L C -1.370 175.489 176.870 -0.019 0.000 1.000 345 L CA -0.611 54.214 54.840 -0.026 0.000 0.819 345 L CB 2.007 44.055 42.059 -0.018 0.000 1.284 345 L HN 0.259 nan 8.230 nan 0.000 0.418 346 N N 3.310 121.998 118.700 -0.020 0.000 2.242 346 N HA 0.262 5.002 4.740 -0.000 0.000 0.292 346 N C 0.198 175.701 175.510 -0.012 0.000 1.125 346 N CA -0.645 52.395 53.050 -0.016 0.000 0.783 346 N CB 2.077 40.551 38.487 -0.022 0.000 1.558 346 N HN 0.686 nan 8.380 nan 0.000 0.472 347 L N 1.382 122.600 121.223 -0.008 0.000 2.079 347 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 347 L C 1.743 178.610 176.870 -0.006 0.000 1.081 347 L CA 1.458 56.295 54.840 -0.005 0.000 0.752 347 L CB -0.001 42.056 42.059 -0.004 0.000 0.896 347 L HN 0.684 nan 8.230 nan 0.000 0.433 348 E N -0.544 119.651 120.200 -0.008 0.000 2.358 348 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 348 E C 1.795 178.390 176.600 -0.008 0.000 1.010 348 E CA 0.463 56.859 56.400 -0.008 0.000 0.856 348 E CB -0.195 29.500 29.700 -0.008 0.000 0.795 348 E HN 0.203 nan 8.360 nan 0.000 0.504 349 K N 1.712 122.103 120.400 -0.014 0.000 2.057 349 K HA 0.008 4.328 4.320 -0.000 0.000 0.207 349 K C 2.201 178.794 176.600 -0.011 0.000 1.049 349 K CA 0.892 57.168 56.287 -0.019 0.000 0.931 349 K CB -0.591 31.889 32.500 -0.034 0.000 0.714 349 K HN 0.201 nan 8.250 nan 0.000 0.440 350 L N 0.505 121.723 121.223 -0.007 0.000 2.093 350 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 350 L C 2.545 179.417 176.870 0.003 0.000 1.085 350 L CA 1.515 56.355 54.840 -0.001 0.000 0.755 350 L CB -0.389 41.671 42.059 0.001 0.000 0.904 350 L HN 0.388 nan 8.230 nan 0.000 0.435 351 E N 0.797 120.998 120.200 0.002 0.000 2.106 351 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 351 E C 1.299 177.902 176.600 0.005 0.000 0.984 351 E CA 0.629 57.032 56.400 0.006 0.000 0.806 351 E CB 0.122 29.824 29.700 0.003 0.000 0.750 351 E HN 0.425 nan 8.360 nan 0.000 0.458 355 A N 2.181 125.007 122.820 0.010 0.000 1.933 355 A HA 0.335 4.655 4.320 -0.000 0.000 0.218 355 A C 1.901 179.489 177.584 0.006 0.000 1.175 355 A CA 1.665 53.706 52.037 0.008 0.000 0.628 355 A CB -0.831 18.172 19.000 0.006 0.000 0.814 355 A HN 1.116 nan 8.150 nan 0.000 0.444 356 I N -5.909 114.664 120.570 0.005 0.000 3.891 356 I HA 0.436 4.606 4.170 -0.000 0.000 0.331 356 I C 0.699 176.820 176.117 0.006 0.000 1.406 356 I CA -0.190 61.112 61.300 0.004 0.000 1.139 356 I CB 0.005 38.006 38.000 0.003 0.000 1.056 356 I HN 0.216 nan 8.210 nan 0.000 0.399 357 C N -1.692 117.612 119.300 0.007 0.000 3.444 357 C HA 0.214 4.674 4.460 -0.000 0.000 0.119 357 C C 1.109 176.106 174.990 0.011 0.000 2.749 357 C CA 0.790 59.813 59.018 0.009 0.000 0.803 357 C CB 0.099 27.846 27.740 0.012 0.000 1.651 357 C HN 0.562 nan 8.230 nan 0.000 0.629 365 A N 7.127 129.949 122.820 0.004 0.000 2.301 365 A HA 0.931 5.251 4.320 -0.000 0.000 0.298 365 A C -0.415 177.172 177.584 0.004 0.000 1.185 365 A CA -0.324 51.715 52.037 0.005 0.000 0.830 365 A CB 0.460 19.463 19.000 0.005 0.000 1.112 365 A HN 0.714 nan 8.150 nan 0.000 0.508 366 I N -0.427 120.146 120.570 0.005 0.000 3.002 366 I HA 0.737 4.907 4.170 -0.000 0.000 0.310 366 I C -2.956 173.164 176.117 0.005 0.000 1.087 366 I CA -3.251 58.051 61.300 0.005 0.000 1.017 366 I CB 2.306 40.309 38.000 0.005 0.000 1.226 366 I HN 0.241 nan 8.210 nan 0.000 0.443 367 P HA 0.081 nan 4.420 nan 0.000 0.271 367 P C 0.146 177.449 177.300 0.005 0.000 1.218 367 P CA -0.044 63.059 63.100 0.005 0.000 0.780 367 P CB 0.686 32.388 31.700 0.004 0.000 0.901 368 E N 2.583 122.787 120.200 0.005 0.000 2.160 368 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 368 E C 0.757 177.361 176.600 0.006 0.000 0.991 368 E CA 1.399 57.802 56.400 0.006 0.000 0.810 368 E CB -0.229 29.474 29.700 0.006 0.000 0.742 368 E HN 0.466 nan 8.360 nan 0.000 0.466 369 D N 0.141 120.544 120.400 0.006 0.000 2.340 369 D HA -0.048 4.592 4.640 -0.000 0.000 0.220 369 D C 0.002 176.306 176.300 0.007 0.000 1.039 369 D CA 0.097 54.100 54.000 0.006 0.000 0.866 369 D CB -0.310 40.493 40.800 0.005 0.000 0.913 369 D HN -0.084 nan 8.370 nan 0.000 0.523 370 T N 4.156 118.715 114.554 0.008 0.000 2.871 370 T HA 0.111 4.461 4.350 -0.000 0.000 0.296 370 T C -2.176 172.530 174.700 0.011 0.000 0.998 370 T CA -0.650 61.455 62.100 0.009 0.000 1.162 370 T CB 1.035 69.908 68.868 0.009 0.000 0.947 370 T HN 0.213 nan 8.240 nan 0.000 0.536 371 P HA 0.212 nan 4.420 nan 0.000 0.272 371 P C 0.572 177.884 177.300 0.020 0.000 1.223 371 P CA -0.366 62.744 63.100 0.016 0.000 0.784 371 P CB 0.663 32.373 31.700 0.016 0.000 0.923 372 A N 2.907 125.740 122.820 0.021 0.000 1.883 372 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 372 A C 1.877 179.482 177.584 0.034 0.000 1.186 372 A CA 1.879 53.931 52.037 0.025 0.000 0.624 372 A CB -1.391 17.623 19.000 0.024 0.000 0.822 372 A HN 0.552 nan 8.150 nan 0.000 0.444 373 E N -0.343 119.881 120.200 0.039 0.000 2.267 373 E HA -0.105 4.245 4.350 -0.000 0.000 0.197 373 E C 1.878 178.512 176.600 0.056 0.000 0.998 373 E CA 1.567 58.001 56.400 0.056 0.000 0.830 373 E CB -0.627 29.111 29.700 0.063 0.000 0.751 373 E HN 0.623 nan 8.360 nan 0.000 0.491 374 T N 0.328 114.904 114.554 0.037 0.000 2.851 374 T HA 0.024 4.374 4.350 -0.000 0.000 0.262 374 T C 1.835 176.552 174.700 0.029 0.000 1.043 374 T CA 0.623 62.739 62.100 0.027 0.000 1.140 374 T CB -0.114 68.763 68.868 0.015 0.000 0.872 374 T HN 0.122 nan 8.240 nan 0.000 0.446 375 I N 1.592 122.179 120.570 0.029 0.000 2.208 375 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 375 I C 2.982 179.124 176.117 0.041 0.000 1.097 375 I CA 1.185 62.503 61.300 0.030 0.000 1.363 375 I CB -0.622 37.393 38.000 0.025 0.000 1.051 375 I HN 0.194 nan 8.210 nan 0.000 0.413 376 A N 0.990 123.841 122.820 0.052 0.000 1.883 376 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 376 A C 1.764 179.402 177.584 0.090 0.000 1.186 376 A CA 1.554 53.632 52.037 0.068 0.000 0.624 376 A CB -0.822 18.223 19.000 0.074 0.000 0.822 376 A HN 0.417 nan 8.150 nan 0.000 0.444 380 A N 0.908 123.783 122.820 0.091 0.000 1.908 380 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 380 A C 1.737 179.377 177.584 0.093 0.000 1.181 380 A CA 2.494 54.601 52.037 0.117 0.000 0.627 380 A CB -0.535 18.593 19.000 0.213 0.000 0.818 380 A HN 0.453 nan 8.150 nan 0.000 0.445 381 D N -0.382 120.057 120.400 0.066 0.000 2.104 381 D HA -0.133 4.507 4.640 -0.000 0.000 0.194 381 D C 2.001 178.326 176.300 0.041 0.000 0.994 381 D CA 1.303 55.326 54.000 0.038 0.000 0.830 381 D CB -0.253 40.553 40.800 0.010 0.000 0.959 381 D HN 0.382 nan 8.370 nan 0.000 0.452 382 E N 0.489 120.716 120.200 0.045 0.000 2.051 382 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 382 E C 2.065 178.698 176.600 0.055 0.000 0.991 382 E CA 0.887 57.316 56.400 0.048 0.000 0.799 382 E CB -0.308 29.425 29.700 0.056 0.000 0.748 382 E HN 0.205 nan 8.360 nan 0.000 0.449 383 A N 1.196 124.055 122.820 0.065 0.000 1.972 383 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 383 A C 2.369 179.983 177.584 0.050 0.000 1.169 383 A CA 1.916 53.991 52.037 0.064 0.000 0.635 383 A CB -0.440 18.601 19.000 0.068 0.000 0.810 383 A HN 0.265 nan 8.150 nan 0.000 0.446 384 A N 0.256 123.107 122.820 0.052 0.000 1.873 384 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 384 A C 2.089 179.693 177.584 0.033 0.000 1.186 384 A CA 1.415 53.479 52.037 0.045 0.000 0.616 384 A CB -0.583 18.449 19.000 0.054 0.000 0.823 384 A HN 0.472 nan 8.150 nan 0.000 0.442 385 I N -0.215 120.373 120.570 0.030 0.000 2.151 385 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 385 I C 2.670 178.798 176.117 0.020 0.000 1.080 385 I CA 1.560 62.874 61.300 0.022 0.000 1.339 385 I CB -0.981 37.032 38.000 0.022 0.000 1.039 385 I HN 0.433 nan 8.210 nan 0.000 0.409 386 G N 0.134 108.949 108.800 0.025 0.000 2.408 386 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 386 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 386 G C 1.738 176.645 174.900 0.012 0.000 1.150 386 G CA 0.555 45.665 45.100 0.017 0.000 0.776 386 G HN 0.249 nan 8.290 nan 0.000 0.542 387 V N 1.389 121.314 119.914 0.018 0.000 2.446 387 V HA -0.053 4.067 4.120 -0.000 0.000 0.244 387 V C 2.615 178.715 176.094 0.010 0.000 1.039 387 V CA 1.604 63.912 62.300 0.014 0.000 1.045 387 V CB -0.047 31.787 31.823 0.019 0.000 0.681 387 V HN 0.550 nan 8.190 nan 0.000 0.459 388 I N -1.318 119.260 120.570 0.013 0.000 3.251 388 I HA 0.109 4.279 4.170 -0.000 0.000 0.277 388 I C 0.748 176.869 176.117 0.006 0.000 1.268 388 I CA 0.787 62.093 61.300 0.010 0.000 1.449 388 I CB -0.637 37.371 38.000 0.013 0.000 1.083 388 I HN 0.250 nan 8.210 nan 0.000 0.464 392 T N 2.531 117.058 114.554 -0.045 0.000 2.727 392 T HA 0.217 4.566 4.350 -0.000 0.000 0.295 392 T C -0.195 174.481 174.700 -0.041 0.000 0.915 392 T CA 0.138 62.191 62.100 -0.078 0.000 1.066 392 T CB 0.039 68.830 68.868 -0.129 0.000 0.891 392 T HN 0.545 nan 8.240 nan 0.000 0.516 393 T N 0.725 115.276 114.554 -0.005 0.000 2.940 393 T HA 0.819 5.169 4.350 -0.000 0.000 0.288 393 T C -0.632 174.183 174.700 0.192 0.000 1.033 393 T CA -1.146 60.993 62.100 0.066 0.000 1.033 393 T CB 2.009 70.916 68.868 0.066 0.000 1.079 393 T HN 0.528 nan 8.240 nan 0.000 0.496 394 A N 1.774 124.730 122.820 0.226 0.000 2.611 394 A HA 0.614 4.934 4.320 -0.000 0.000 0.282 394 A C -0.643 177.039 177.584 0.163 0.000 1.114 394 A CA -0.742 51.511 52.037 0.361 0.000 0.800 394 A CB 0.830 20.118 19.000 0.481 0.000 1.325 394 A HN 0.817 nan 8.150 nan 0.000 0.411 395 V N 2.709 122.684 119.914 0.101 0.000 2.465 395 V HA 0.498 4.618 4.120 -0.000 0.000 0.279 395 V C 0.540 176.635 176.094 0.002 0.000 1.045 395 V CA -0.302 62.025 62.300 0.044 0.000 0.938 395 V CB 1.278 33.124 31.823 0.038 0.000 0.986 395 V HN 0.782 nan 8.190 nan 0.000 0.467 396 R N 4.521 125.023 120.500 0.002 0.000 2.412 396 R HA 0.543 4.883 4.340 -0.000 0.000 0.304 396 R C -1.197 175.099 176.300 -0.007 0.000 1.066 396 R CA -0.426 55.664 56.100 -0.017 0.000 0.923 396 R CB 1.383 31.669 30.300 -0.023 0.000 1.156 396 R HN 0.649 nan 8.270 nan 0.000 0.513 397 I N 4.532 125.098 120.570 -0.005 0.000 2.385 397 I HA 0.321 4.491 4.170 -0.000 0.000 0.294 397 I C 0.166 176.283 176.117 -0.000 0.000 0.988 397 I CA -0.706 60.594 61.300 0.001 0.000 1.265 397 I CB 1.558 39.561 38.000 0.005 0.000 1.388 397 I HN 0.323 nan 8.210 nan 0.000 0.480 398 I N 8.034 128.605 120.570 0.002 0.000 2.371 398 I HA 0.313 4.482 4.170 -0.000 0.000 0.282 398 I C -2.504 173.616 176.117 0.005 0.000 1.031 398 I CA -2.265 59.036 61.300 0.002 0.000 1.180 398 I CB 0.744 38.746 38.000 0.003 0.000 1.336 398 I HN 0.210 nan 8.210 nan 0.000 0.467 399 P HA 0.495 nan 4.420 nan 0.000 0.295 399 P C -0.924 176.379 177.300 0.006 0.000 1.397 399 P CA -0.545 62.559 63.100 0.006 0.000 0.903 399 P CB 1.061 32.765 31.700 0.007 0.000 1.028 400 K N 2.281 122.684 120.400 0.006 0.000 2.535 400 K HA 0.688 5.008 4.320 -0.000 0.000 0.251 400 K C -0.102 176.501 176.600 0.006 0.000 0.942 400 K CA -0.610 55.681 56.287 0.006 0.000 0.798 400 K CB 2.652 35.156 32.500 0.007 0.000 1.267 400 K HN 0.669 nan 8.250 nan 0.000 0.434 401 G N 2.132 110.935 108.800 0.005 0.000 2.447 401 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.220 401 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.220 401 G C -1.447 173.456 174.900 0.004 0.000 1.261 401 G CA -0.881 44.222 45.100 0.005 0.000 1.000 401 G HN 0.434 nan 8.290 nan 0.000 0.515 402 K N -0.519 119.884 120.400 0.004 0.000 2.395 402 K HA 0.532 4.852 4.320 -0.000 0.000 0.247 402 K C 0.848 177.450 176.600 0.003 0.000 0.973 402 K CA -0.654 55.635 56.287 0.004 0.000 0.828 402 K CB 2.112 34.614 32.500 0.003 0.000 1.272 402 K HN 0.454 nan 8.250 nan 0.000 0.439 403 E N 0.724 120.926 120.200 0.003 0.000 2.532 403 E HA -0.265 4.085 4.350 -0.000 0.000 0.249 403 E C 0.651 177.252 176.600 0.002 0.000 1.129 403 E CA 2.468 58.870 56.400 0.002 0.000 1.173 403 E CB -0.150 29.551 29.700 0.002 0.000 1.007 403 E HN 0.927 nan 8.360 nan 0.000 0.460 404 G N 0.205 109.007 108.800 0.002 0.000 4.908 404 G HA2 0.108 4.067 3.960 -0.000 0.000 0.267 404 G HA3 0.108 4.067 3.960 -0.000 0.000 0.267 404 G C -0.361 174.541 174.900 0.003 0.000 0.958 404 G CA -0.160 44.942 45.100 0.002 0.000 0.743 404 G HN 0.011 nan 8.290 nan 0.000 0.410 408 E N 0.578 120.785 120.200 0.013 0.000 2.311 408 E HA 1.084 5.434 4.350 -0.000 0.000 0.281 408 E C -1.042 175.570 176.600 0.020 0.000 0.905 408 E CA 0.161 56.570 56.400 0.015 0.000 0.778 408 E CB 0.924 30.632 29.700 0.014 0.000 1.240 408 E HN 2.598 nan 8.360 nan 0.000 0.410 417 P HA 0.637 nan 4.420 nan 0.000 0.286 417 P C 0.335 177.637 177.300 0.004 0.000 1.269 417 P CA -0.076 63.026 63.100 0.004 0.000 0.787 417 P CB 1.067 32.768 31.700 0.003 0.000 0.920 421 V N 2.923 122.836 119.914 -0.001 0.000 2.448 421 V HA 0.450 4.570 4.120 -0.000 0.000 0.295 421 V C -0.050 176.041 176.094 -0.005 0.000 1.025 421 V CA -1.106 61.193 62.300 -0.002 0.000 0.859 421 V CB 1.652 33.475 31.823 0.000 0.000 0.988 421 V HN 0.956 nan 8.190 nan 0.000 0.431 422 N N 3.856 122.551 118.700 -0.008 0.000 2.411 422 N HA 0.032 4.772 4.740 -0.000 0.000 0.261 422 N C 1.053 176.557 175.510 -0.010 0.000 1.248 422 N CA 1.013 54.057 53.050 -0.011 0.000 0.885 422 N CB 1.764 40.241 38.487 -0.017 0.000 1.062 422 N HN 0.835 nan 8.380 nan 0.000 0.471 423 G N 1.914 110.710 108.800 -0.008 0.000 2.939 423 G HA2 0.185 4.145 3.960 -0.000 0.000 0.210 423 G HA3 0.185 4.145 3.960 -0.000 0.000 0.210 423 G C 0.357 175.254 174.900 -0.005 0.000 1.160 423 G CA 0.219 45.317 45.100 -0.004 0.000 0.770 423 G HN 0.778 nan 8.290 nan 0.000 0.543 424 A N 0.534 123.348 122.820 -0.010 0.000 2.409 424 A HA 0.590 4.910 4.320 -0.000 0.000 0.262 424 A C 0.766 178.342 177.584 -0.013 0.000 1.113 424 A CA -0.084 51.946 52.037 -0.012 0.000 0.790 424 A CB 0.478 19.466 19.000 -0.019 0.000 1.046 424 A HN 0.231 nan 8.150 nan 0.000 0.496 425 S N 1.289 116.985 115.700 -0.006 0.000 2.579 425 S HA 0.261 4.731 4.470 -0.000 0.000 0.275 425 S C 1.003 175.603 174.600 -0.001 0.000 1.345 425 S CA 0.107 58.309 58.200 0.003 0.000 1.031 425 S CB 0.410 63.617 63.200 0.012 0.000 0.892 425 S HN 0.716 nan 8.310 nan 0.000 0.529 426 S N 2.411 118.122 115.700 0.018 0.000 2.819 426 S HA 0.120 4.590 4.470 -0.000 0.000 0.249 426 S C 1.444 176.111 174.600 0.111 0.000 1.030 426 S CA -0.418 57.805 58.200 0.039 0.000 1.052 426 S CB 0.424 63.638 63.200 0.024 0.000 1.017 426 S HN 0.517 nan 8.310 nan 0.000 0.576 427 V N 2.074 122.034 119.914 0.076 0.000 2.332 427 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 427 V C 2.153 178.303 176.094 0.094 0.000 1.055 427 V CA 2.050 64.395 62.300 0.075 0.000 1.038 427 V CB -0.409 31.441 31.823 0.046 0.000 0.651 427 V HN 0.377 nan 8.190 nan 0.000 0.450 428 D N -0.858 119.606 120.400 0.107 0.000 2.075 428 D HA -0.138 4.502 4.640 -0.000 0.000 0.196 428 D C 1.842 178.224 176.300 0.137 0.000 0.985 428 D CA 1.127 55.187 54.000 0.100 0.000 0.834 428 D CB -0.391 40.465 40.800 0.093 0.000 0.987 428 D HN 0.286 nan 8.370 nan 0.000 0.452 429 F N 1.621 121.571 119.950 0.000 0.000 2.100 429 F HA -0.325 4.202 4.527 0.000 0.000 0.293 429 F C 2.232 178.031 175.800 -0.001 0.000 1.137 429 F CA 1.609 59.608 58.000 -0.000 0.000 1.252 429 F CB -0.491 38.509 39.000 0.001 0.000 0.934 429 F HN -0.029 nan 8.300 nan 0.000 0.524 430 I N -0.142 120.535 120.570 0.179 0.000 2.423 430 I HA -0.265 3.905 4.170 -0.000 0.000 0.254 430 I C 2.332 178.439 176.117 -0.016 0.000 1.151 430 I CA 1.585 62.915 61.300 0.050 0.000 1.421 430 I CB -2.002 36.069 38.000 0.118 0.000 1.079 430 I HN 0.167 nan 8.210 nan 0.000 0.431 431 S N 0.340 116.041 115.700 0.002 0.000 2.507 431 S HA -0.047 4.423 4.470 -0.000 0.000 0.235 431 S C 1.971 176.539 174.600 -0.053 0.000 0.988 431 S CA 0.427 58.617 58.200 -0.017 0.000 0.944 431 S CB -0.163 63.039 63.200 0.003 0.000 0.762 431 S HN 0.445 nan 8.310 nan 0.000 0.526 432 R N 1.114 121.552 120.500 -0.103 0.000 2.080 432 R HA 0.078 4.418 4.340 -0.000 0.000 0.236 432 R C 1.369 177.601 176.300 -0.113 0.000 1.137 432 R CA 0.918 56.944 56.100 -0.123 0.000 0.943 432 R CB -0.629 29.552 30.300 -0.198 0.000 0.846 432 R HN 0.487 nan 8.270 nan 0.000 0.431 433 G N -1.153 107.566 108.800 -0.134 0.000 2.707 433 G HA2 0.199 4.159 3.960 -0.000 0.000 0.686 433 G HA3 0.199 4.159 3.960 -0.000 0.000 0.686 433 G C 0.008 174.835 174.900 -0.122 0.000 1.315 433 G CA -0.371 44.664 45.100 -0.108 0.000 0.832 433 G HN 0.737 nan 8.290 nan 0.000 0.573 434 G N -0.823 107.907 108.800 -0.116 0.000 2.500 434 G HA2 0.440 4.400 3.960 -0.000 0.000 0.209 434 G HA3 0.440 4.400 3.960 -0.000 0.000 0.209 434 G C -0.446 174.385 174.900 -0.115 0.000 1.283 434 G CA 0.936 45.970 45.100 -0.109 0.000 0.960 434 G HN 1.967 nan 8.290 nan 0.000 0.528 435 Q N -0.453 119.289 119.800 -0.096 0.000 2.330 435 Q HA 0.729 5.069 4.340 -0.000 0.000 0.269 435 Q C -0.267 175.691 176.000 -0.070 0.000 1.022 435 Q CA -0.597 55.156 55.803 -0.084 0.000 0.796 435 Q CB 1.302 29.997 28.738 -0.072 0.000 1.271 435 Q HN 0.620 nan 8.270 nan 0.000 0.450 436 I N 7.143 127.677 120.570 -0.061 0.000 2.325 436 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 436 I C -1.841 174.259 176.117 -0.028 0.000 1.019 436 I CA -1.963 59.312 61.300 -0.042 0.000 1.302 436 I CB 1.021 39.004 38.000 -0.028 0.000 1.401 436 I HN 0.538 nan 8.210 nan 0.000 0.485 437 P HA 0.334 nan 4.420 nan 0.000 0.275 437 P C 0.119 177.413 177.300 -0.010 0.000 1.270 437 P CA 0.240 63.329 63.100 -0.018 0.000 0.791 437 P CB 1.000 32.690 31.700 -0.016 0.000 1.089 438 A N -1.880 120.934 122.820 -0.009 0.000 5.335 438 A HA -0.091 4.229 4.320 -0.000 0.000 0.248 438 A C -2.292 175.290 177.584 -0.003 0.000 2.322 438 A CA -0.009 52.025 52.037 -0.005 0.000 0.711 438 A CB -3.237 15.761 19.000 -0.003 0.000 0.977 438 A HN 0.589 nan 8.150 nan 0.000 0.326 439 P HA 0.451 nan 4.420 nan 0.000 0.269 439 P C 1.024 178.324 177.300 0.001 0.000 1.217 439 P CA 1.052 64.153 63.100 0.002 0.000 0.783 439 P CB -0.610 31.092 31.700 0.004 0.000 0.898 440 I N 0.000 120.571 120.570 0.001 0.000 2.984 440 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 440 I CA 0.000 61.300 61.300 0.000 0.000 1.566 440 I CB 0.000 38.001 38.000 0.001 0.000 1.214 440 I HN 0.000 nan 8.210 nan 0.000 0.494