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 3a0h_1_a DATA FIRST_RESID 5010 DATA SEQUENCE SANLWERFCN WVTSTDNRLY VGWFGVIMIP TLLAATICFV IAFIAAPPVD DATA SEQUENCE IDGIREPVSG SLLYGNNIIT GAVVPSSNAI GLHFYPIWEA ASLDEWLYNG DATA SEQUENCE GPYQLIIFHF LLGASCYMGR QWELSYRLGM RPWICVAYSA PLASAFAVFL DATA SEQUENCE IYPIGQGSFS DGMPLGISGT FNFMIVFQAE HNILMHPFHQ LGVAGVFGGA DATA SEQUENCE LFCAMHGSLV TSSLIRETTE TESANYGYKF GQEEETYNIV AAHGYFGRLI DATA SEQUENCE FQYASFNNSR SLHFFLAAWR VVGVWFAALG ISTMAFNLNG FNFNHSVIDA DATA SEQUENCE KGNVINTWAD IINRANLGME VMHERNAHNF PLDLA 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 5010 S HA 0.000 nan 4.470 nan 0.000 0.327 5010 S C 0.000 174.619 174.600 0.032 0.000 1.055 5010 S CA 0.000 58.222 58.200 0.037 0.000 1.107 5010 S CB 0.000 63.231 63.200 0.052 0.000 0.593 5011 A N 1.600 124.439 122.820 0.032 0.000 1.897 5011 A HA 0.283 5.004 4.320 0.669 0.000 0.215 5011 A C 0.780 178.375 177.584 0.018 0.000 1.181 5011 A CA 1.197 53.245 52.037 0.019 0.000 0.620 5011 A CB -0.584 18.423 19.000 0.012 0.000 0.821 5011 A HN 0.850 nan 8.150 nan 0.000 0.443 5012 N N -1.903 116.820 118.700 0.038 0.000 2.308 5012 N HA 0.449 5.590 4.740 0.669 0.000 0.283 5012 N C -0.263 175.318 175.510 0.118 0.000 1.105 5012 N CA -0.635 52.447 53.050 0.053 0.000 0.840 5012 N CB 1.420 39.907 38.487 0.001 0.000 1.633 5012 N HN -0.038 nan 8.380 nan 0.000 0.476 5013 L N 1.505 122.815 121.223 0.146 0.000 2.341 5013 L HA 0.073 4.814 4.340 0.669 0.000 0.214 5013 L C 2.037 179.077 176.870 0.283 0.000 1.115 5013 L CA 0.526 55.468 54.840 0.171 0.000 0.820 5013 L CB -0.440 41.698 42.059 0.131 0.000 0.944 5013 L HN 0.701 nan 8.230 nan 0.000 0.452 5014 W N 2.088 123.455 121.300 0.112 0.000 2.374 5014 W HA -0.156 4.907 4.660 0.671 0.000 0.288 5014 W C 1.792 178.428 176.519 0.194 0.000 1.218 5014 W CA 1.525 58.967 57.345 0.162 0.000 1.245 5014 W CB -0.421 29.079 29.460 0.067 0.000 1.126 5014 W HN 0.368 nan 8.180 nan 0.000 0.545 5015 E N 0.148 120.704 120.200 0.593 0.000 2.136 5015 E HA -0.322 4.429 4.350 0.669 0.000 0.202 5015 E C 2.313 179.122 176.600 0.347 0.000 1.019 5015 E CA 1.987 58.659 56.400 0.453 0.000 0.819 5015 E CB -0.622 29.225 29.700 0.246 0.000 0.739 5015 E HN 0.145 nan 8.360 nan 0.000 0.458 5016 R N 0.527 121.186 120.500 0.266 0.000 2.090 5016 R HA -0.119 4.622 4.340 0.669 0.000 0.228 5016 R C 2.152 178.590 176.300 0.230 0.000 1.110 5016 R CA 0.857 57.068 56.100 0.186 0.000 0.973 5016 R CB -0.408 29.943 30.300 0.085 0.000 0.869 5016 R HN 0.177 nan 8.270 nan 0.000 0.440 5017 F N 1.158 121.146 119.950 0.064 0.000 2.134 5017 F HA -0.220 4.706 4.527 0.666 0.000 0.299 5017 F C 2.450 178.291 175.800 0.068 0.000 1.097 5017 F CA 1.151 59.168 58.000 0.028 0.000 1.264 5017 F CB -0.913 38.013 39.000 -0.125 0.000 1.001 5017 F HN 0.076 nan 8.300 nan 0.000 0.479 5018 C N 1.218 120.724 119.300 0.343 0.000 2.425 5018 C HA -0.213 4.648 4.460 0.669 0.000 0.277 5018 C C 2.577 177.741 174.990 0.290 0.000 1.280 5018 C CA 1.747 60.978 59.018 0.356 0.000 1.744 5018 C CB -1.865 26.158 27.740 0.472 0.000 1.989 5018 C HN 0.749 nan 8.230 nan 0.000 0.491 5019 N N -1.420 117.434 118.700 0.256 0.000 2.395 5019 N HA -0.099 5.042 4.740 0.669 0.000 0.175 5019 N C 1.553 177.160 175.510 0.162 0.000 1.029 5019 N CA 0.899 54.056 53.050 0.179 0.000 0.897 5019 N CB -0.727 37.856 38.487 0.161 0.000 0.991 5019 N HN 0.685 nan 8.380 nan 0.000 0.441 5020 W N 1.588 122.881 121.300 -0.012 0.000 2.380 5020 W HA 0.005 5.068 4.660 0.673 0.000 0.317 5020 W C 1.863 178.314 176.519 -0.113 0.000 1.196 5020 W CA 1.289 58.591 57.345 -0.072 0.000 1.307 5020 W CB -0.609 28.772 29.460 -0.131 0.000 1.157 5020 W HN -0.098 nan 8.180 nan 0.000 0.483 5021 V N 0.389 120.252 119.914 -0.086 0.000 2.250 5021 V HA -0.361 4.160 4.120 0.669 0.000 0.250 5021 V C 1.741 177.606 176.094 -0.383 0.000 1.060 5021 V CA 2.595 64.613 62.300 -0.469 0.000 1.030 5021 V CB -1.691 29.662 31.823 -0.784 0.000 0.643 5021 V HN 0.214 nan 8.190 nan 0.000 0.445 5022 T N 0.049 114.457 114.554 -0.243 0.000 3.366 5022 T HA 0.058 4.809 4.350 0.669 0.000 0.249 5022 T C 0.753 175.412 174.700 -0.069 0.000 1.028 5022 T CA 0.525 62.586 62.100 -0.066 0.000 0.938 5022 T CB -0.286 68.547 68.868 -0.057 0.000 1.046 5022 T HN 0.411 nan 8.240 nan 0.000 0.587 5023 S N 1.478 117.128 115.700 -0.083 0.000 2.465 5023 S HA 0.002 4.873 4.470 0.669 0.000 0.307 5023 S C 1.520 176.026 174.600 -0.157 0.000 1.187 5023 S CA -0.248 57.896 58.200 -0.093 0.000 1.141 5023 S CB 0.244 63.371 63.200 -0.120 0.000 1.108 5023 S HN 0.346 nan 8.310 nan 0.000 0.525 5024 T N 3.211 117.648 114.554 -0.196 0.000 3.139 5024 T HA -0.071 4.680 4.350 0.669 0.000 0.267 5024 T C 0.736 175.329 174.700 -0.179 0.000 1.164 5024 T CA 1.517 63.454 62.100 -0.271 0.000 1.075 5024 T CB -0.424 68.304 68.868 -0.233 0.000 0.904 5024 T HN 0.938 nan 8.240 nan 0.000 0.540 5025 D N -1.703 118.629 120.400 -0.113 0.000 2.527 5025 D HA 0.120 5.161 4.640 0.669 0.000 0.224 5025 D C 0.113 176.381 176.300 -0.054 0.000 1.217 5025 D CA -0.422 53.535 54.000 -0.072 0.000 0.819 5025 D CB -0.420 40.354 40.800 -0.043 0.000 1.061 5025 D HN -0.010 nan 8.370 nan 0.000 0.515 5026 N N 1.682 120.339 118.700 -0.072 0.000 2.452 5026 N HA 0.037 5.178 4.740 0.669 0.000 0.266 5026 N C 1.271 176.742 175.510 -0.064 0.000 1.209 5026 N CA -0.045 52.958 53.050 -0.078 0.000 0.929 5026 N CB 1.196 39.567 38.487 -0.192 0.000 1.063 5026 N HN 0.060 nan 8.380 nan 0.000 0.472 5027 R N 3.022 123.495 120.500 -0.044 0.000 2.265 5027 R HA -0.177 4.564 4.340 0.669 0.000 0.256 5027 R C -0.199 176.070 176.300 -0.052 0.000 1.120 5027 R CA 1.783 57.858 56.100 -0.042 0.000 0.956 5027 R CB -0.447 29.834 30.300 -0.032 0.000 0.925 5027 R HN 0.558 nan 8.270 nan 0.000 0.448 5028 L N 0.145 121.325 121.223 -0.072 0.000 2.345 5028 L HA 0.255 4.996 4.340 0.669 0.000 0.274 5028 L C -1.197 175.613 176.870 -0.100 0.000 0.999 5028 L CA -0.938 53.851 54.840 -0.084 0.000 0.849 5028 L CB 1.204 43.201 42.059 -0.104 0.000 1.220 5028 L HN 0.118 nan 8.230 nan 0.000 0.422 5029 Y N 4.239 124.418 120.300 -0.202 0.000 2.702 5029 Y HA 0.317 5.270 4.550 0.672 0.000 0.336 5029 Y C -0.272 175.473 175.900 -0.258 0.000 1.235 5029 Y CA -0.040 57.917 58.100 -0.237 0.000 1.492 5029 Y CB 0.989 39.335 38.460 -0.190 0.000 1.308 5029 Y HN 0.286 nan 8.280 nan 0.000 0.589 5030 V N 7.905 127.276 119.914 -0.904 0.000 2.439 5030 V HA 0.657 5.178 4.120 0.669 0.000 0.277 5030 V C 0.172 175.587 176.094 -1.131 0.000 1.008 5030 V CA 0.205 61.981 62.300 -0.873 0.000 0.846 5030 V CB 0.287 31.749 31.823 -0.601 0.000 1.031 5030 V HN 1.083 nan 8.190 nan 0.000 0.441 5031 G N 3.938 111.963 108.800 -1.292 0.000 2.485 5031 G HA2 0.200 4.561 3.960 0.669 0.000 0.260 5031 G HA3 0.200 4.561 3.960 0.669 0.000 0.260 5031 G C 0.209 174.807 174.900 -0.503 0.000 1.459 5031 G CA -0.099 44.508 45.100 -0.821 0.000 1.060 5031 G HN 0.790 nan 8.290 nan 0.000 0.546 5032 W N -1.250 119.941 121.300 -0.182 0.000 2.436 5032 W HA 0.091 5.149 4.660 0.664 0.000 0.284 5032 W C 2.375 178.802 176.519 -0.152 0.000 1.225 5032 W CA -0.128 57.101 57.345 -0.193 0.000 1.271 5032 W CB -0.141 29.160 29.460 -0.266 0.000 1.114 5032 W HN 0.425 nan 8.180 nan 0.000 0.559 5033 F N 0.025 120.104 119.950 0.215 0.000 2.113 5033 F HA -0.086 4.854 4.527 0.688 0.000 0.297 5033 F C 2.670 178.501 175.800 0.052 0.000 1.103 5033 F CA 0.937 59.026 58.000 0.147 0.000 1.248 5033 F CB -1.215 37.874 39.000 0.149 0.000 0.999 5033 F HN -0.119 nan 8.300 nan 0.000 0.475 5034 G N 0.318 109.176 108.800 0.097 0.000 2.719 5034 G HA2 -0.378 3.984 3.960 0.669 0.000 0.219 5034 G HA3 -0.378 3.984 3.960 0.669 0.000 0.219 5034 G C 1.716 176.616 174.900 0.000 0.000 1.234 5034 G CA 1.403 46.453 45.100 -0.083 0.000 0.788 5034 G HN 0.283 nan 8.290 nan 0.000 0.619 5035 V N 0.373 120.305 119.914 0.030 0.000 2.909 5035 V HA -0.132 4.390 4.120 0.669 0.000 0.265 5035 V C 2.359 178.533 176.094 0.134 0.000 1.128 5035 V CA 2.022 64.390 62.300 0.113 0.000 1.149 5035 V CB -0.218 31.744 31.823 0.232 0.000 0.725 5035 V HN 0.486 nan 8.190 nan 0.000 0.511 5036 I N -2.309 118.347 120.570 0.144 0.000 3.443 5036 I HA -0.005 4.566 4.170 0.669 0.000 0.277 5036 I C 2.035 178.224 176.117 0.120 0.000 1.169 5036 I CA 0.814 62.195 61.300 0.135 0.000 1.419 5036 I CB -0.073 38.024 38.000 0.162 0.000 1.331 5036 I HN 0.247 nan 8.210 nan 0.000 0.458 5037 M N 1.114 120.796 119.600 0.138 0.000 2.443 5037 M HA -0.278 4.603 4.480 0.669 0.000 0.267 5037 M C 2.300 178.658 176.300 0.096 0.000 1.069 5037 M CA 2.190 57.568 55.300 0.130 0.000 1.085 5037 M CB -0.157 32.520 32.600 0.128 0.000 1.243 5037 M HN 0.077 nan 8.290 nan 0.000 0.464 5038 I N 0.459 121.059 120.570 0.049 0.000 2.404 5038 I HA -0.338 4.233 4.170 0.669 0.000 0.236 5038 I C -0.608 175.550 176.117 0.068 0.000 0.953 5038 I CA 2.459 63.776 61.300 0.029 0.000 1.253 5038 I CB -2.930 35.063 38.000 -0.012 0.000 0.960 5038 I HN 0.370 nan 8.210 nan 0.000 0.402 5039 P HA 0.037 nan 4.420 nan 0.000 0.220 5039 P C 1.715 179.107 177.300 0.154 0.000 1.154 5039 P CA 1.051 64.219 63.100 0.112 0.000 0.837 5039 P CB -0.064 31.703 31.700 0.111 0.000 0.815 5040 T N 0.515 115.149 114.554 0.134 0.000 2.751 5040 T HA -0.140 4.611 4.350 0.669 0.000 0.268 5040 T C 1.447 176.303 174.700 0.260 0.000 1.045 5040 T CA 1.215 63.394 62.100 0.132 0.000 1.142 5040 T CB -0.564 68.315 68.868 0.018 0.000 0.851 5040 T HN -0.063 nan 8.240 nan 0.000 0.474 5041 L N -0.060 121.283 121.223 0.200 0.000 2.249 5041 L HA 0.182 4.923 4.340 0.669 0.000 0.207 5041 L C 2.355 179.321 176.870 0.159 0.000 1.090 5041 L CA 0.830 55.784 54.840 0.191 0.000 0.802 5041 L CB -1.336 40.812 42.059 0.149 0.000 0.947 5041 L HN 0.296 nan 8.230 nan 0.000 0.453 5042 L N 0.074 121.382 121.223 0.141 0.000 2.131 5042 L HA -0.168 4.573 4.340 0.669 0.000 0.210 5042 L C 2.585 179.531 176.870 0.126 0.000 1.092 5042 L CA 1.682 56.591 54.840 0.114 0.000 0.759 5042 L CB -0.753 41.364 42.059 0.096 0.000 0.903 5042 L HN 0.246 nan 8.230 nan 0.000 0.435 5043 A N -0.621 122.301 122.820 0.170 0.000 1.903 5043 A HA 0.055 4.776 4.320 0.669 0.000 0.213 5043 A C 2.516 180.155 177.584 0.092 0.000 1.185 5043 A CA 1.113 53.228 52.037 0.130 0.000 0.628 5043 A CB -0.424 18.677 19.000 0.169 0.000 0.830 5043 A HN 0.352 nan 8.150 nan 0.000 0.446 5044 A N -0.900 122.022 122.820 0.170 0.000 1.883 5044 A HA -0.177 4.544 4.320 0.669 0.000 0.217 5044 A C 2.406 180.079 177.584 0.150 0.000 1.186 5044 A CA 2.637 54.767 52.037 0.156 0.000 0.624 5044 A CB -1.359 17.806 19.000 0.275 0.000 0.822 5044 A HN 0.480 nan 8.150 nan 0.000 0.444 5045 T N -0.817 113.823 114.554 0.144 0.000 2.701 5045 T HA -0.103 4.648 4.350 0.669 0.000 0.263 5045 T C 1.824 176.639 174.700 0.193 0.000 1.040 5045 T CA 1.468 63.665 62.100 0.163 0.000 1.147 5045 T CB -0.374 68.561 68.868 0.111 0.000 0.865 5045 T HN 0.210 nan 8.240 nan 0.000 0.426 5046 I N 1.389 122.040 120.570 0.134 0.000 2.145 5046 I HA -0.192 4.380 4.170 0.669 0.000 0.244 5046 I C 2.986 179.178 176.117 0.125 0.000 1.075 5046 I CA 1.150 62.516 61.300 0.110 0.000 1.332 5046 I CB -1.642 36.408 38.000 0.082 0.000 1.033 5046 I HN 0.496 nan 8.210 nan 0.000 0.410 5047 C N 0.340 119.725 119.300 0.141 0.000 2.436 5047 C HA -0.251 4.610 4.460 0.669 0.000 0.277 5047 C C 2.834 177.955 174.990 0.218 0.000 1.241 5047 C CA 0.564 59.685 59.018 0.172 0.000 1.721 5047 C CB -1.294 26.551 27.740 0.175 0.000 2.043 5047 C HN 0.486 nan 8.230 nan 0.000 0.472 5048 F N 2.381 122.375 119.950 0.074 0.000 2.005 5048 F HA -0.207 4.744 4.527 0.707 0.000 0.297 5048 F C 2.432 178.281 175.800 0.082 0.000 1.175 5048 F CA 3.172 61.211 58.000 0.064 0.000 1.192 5048 F CB -1.230 37.781 39.000 0.017 0.000 0.953 5048 F HN 0.267 nan 8.300 nan 0.000 0.504 5049 V N -0.249 119.616 119.914 -0.082 0.000 2.481 5049 V HA -0.347 4.174 4.120 0.669 0.000 0.263 5049 V C 2.179 178.220 176.094 -0.087 0.000 1.108 5049 V CA 2.298 64.498 62.300 -0.167 0.000 1.113 5049 V CB -1.409 30.415 31.823 0.001 0.000 0.684 5049 V HN 0.583 nan 8.190 nan 0.000 0.467 5050 I N 0.520 121.082 120.570 -0.014 0.000 2.429 5050 I HA 0.082 4.653 4.170 0.669 0.000 0.247 5050 I C 2.922 179.060 176.117 0.035 0.000 1.099 5050 I CA 1.070 62.386 61.300 0.027 0.000 1.422 5050 I CB -0.685 37.352 38.000 0.062 0.000 1.112 5050 I HN 0.328 nan 8.210 nan 0.000 0.430 5051 A N 0.900 123.749 122.820 0.048 0.000 1.986 5051 A HA -0.279 4.442 4.320 0.669 0.000 0.220 5051 A C 2.176 179.787 177.584 0.045 0.000 1.171 5051 A CA 1.781 53.858 52.037 0.067 0.000 0.640 5051 A CB -0.902 18.157 19.000 0.100 0.000 0.811 5051 A HN 0.408 nan 8.150 nan 0.000 0.451 5052 F N 0.150 119.956 119.950 -0.240 0.000 2.053 5052 F HA -0.032 4.901 4.527 0.678 0.000 0.292 5052 F C 2.143 177.866 175.800 -0.128 0.000 1.125 5052 F CA 1.414 59.265 58.000 -0.247 0.000 1.193 5052 F CB -0.410 38.312 39.000 -0.463 0.000 0.996 5052 F HN 0.142 nan 8.300 nan 0.000 0.470 5053 I N -0.069 120.527 120.570 0.043 0.000 2.194 5053 I HA -0.229 4.342 4.170 0.669 0.000 0.246 5053 I C 0.632 176.711 176.117 -0.063 0.000 1.093 5053 I CA 1.404 62.691 61.300 -0.023 0.000 1.355 5053 I CB -0.658 37.349 38.000 0.010 0.000 1.046 5053 I HN 0.210 nan 8.210 nan 0.000 0.413 5054 A N 0.510 123.318 122.820 -0.020 0.000 2.741 5054 A HA 0.765 5.486 4.320 0.669 0.000 0.298 5054 A C -0.755 176.887 177.584 0.098 0.000 1.153 5054 A CA -0.174 51.856 52.037 -0.013 0.000 0.816 5054 A CB 0.355 19.322 19.000 -0.055 0.000 1.396 5054 A HN 0.169 nan 8.150 nan 0.000 0.407 5055 A N 3.098 126.044 122.820 0.210 0.000 2.455 5055 A HA 0.941 5.662 4.320 0.669 0.000 0.300 5055 A C -3.242 174.495 177.584 0.254 0.000 1.040 5055 A CA -1.614 50.559 52.037 0.226 0.000 0.697 5055 A CB 1.273 20.330 19.000 0.094 0.000 1.265 5055 A HN 0.400 nan 8.150 nan 0.000 0.407 5056 P HA 0.216 nan 4.420 nan 0.000 0.272 5056 P C -2.240 174.832 177.300 -0.380 0.000 1.248 5056 P CA -0.626 62.240 63.100 -0.390 0.000 0.799 5056 P CB -0.130 31.509 31.700 -0.101 0.000 0.997 5057 P HA 0.111 nan 4.420 nan 0.000 0.288 5057 P C -0.930 176.196 177.300 -0.291 0.000 1.291 5057 P CA 0.185 63.096 63.100 -0.314 0.000 0.766 5057 P CB 0.463 31.997 31.700 -0.278 0.000 1.242 5058 V N 0.563 120.279 119.914 -0.330 0.000 2.817 5058 V HA 0.062 4.583 4.120 0.669 0.000 0.303 5058 V C 0.636 176.459 176.094 -0.452 0.000 1.151 5058 V CA -0.428 61.615 62.300 -0.428 0.000 0.929 5058 V CB 1.695 33.324 31.823 -0.323 0.000 1.030 5058 V HN 0.638 nan 8.190 nan 0.000 0.427 5059 D N 3.619 123.635 120.400 -0.639 0.000 2.403 5059 D HA -0.133 4.908 4.640 0.669 0.000 0.227 5059 D C 1.564 177.705 176.300 -0.265 0.000 0.995 5059 D CA 0.393 54.124 54.000 -0.449 0.000 0.928 5059 D CB 0.105 40.623 40.800 -0.470 0.000 0.887 5059 D HN 0.345 nan 8.370 nan 0.000 0.529 5060 I N 0.921 121.340 120.570 -0.252 0.000 4.898 5060 I HA -0.415 4.156 4.170 0.669 0.000 0.040 5060 I C 0.398 176.442 176.117 -0.122 0.000 0.635 5060 I CA 1.828 63.026 61.300 -0.169 0.000 0.252 5060 I CB -1.994 35.925 38.000 -0.135 0.000 0.341 5060 I HN 0.190 nan 8.210 nan 0.000 0.153 5061 D N 1.256 121.606 120.400 -0.083 0.000 2.505 5061 D HA 0.016 5.057 4.640 0.669 0.000 0.229 5061 D C 1.401 177.658 176.300 -0.071 0.000 1.215 5061 D CA 1.022 54.991 54.000 -0.052 0.000 0.880 5061 D CB 0.009 40.793 40.800 -0.026 0.000 1.228 5061 D HN 0.739 nan 8.370 nan 0.000 0.497 5062 G N 0.303 109.065 108.800 -0.064 0.000 2.568 5062 G HA2 -0.181 4.180 3.960 0.669 0.000 0.220 5062 G HA3 -0.181 4.180 3.960 0.669 0.000 0.220 5062 G C 1.088 175.953 174.900 -0.058 0.000 1.104 5062 G CA 1.049 46.107 45.100 -0.069 0.000 0.738 5062 G HN 0.551 nan 8.290 nan 0.000 0.574 5063 I N -3.088 117.449 120.570 -0.055 0.000 4.389 5063 I HA 0.550 5.121 4.170 0.669 0.000 0.227 5063 I C -0.029 176.061 176.117 -0.044 0.000 1.528 5063 I CA -0.811 60.463 61.300 -0.042 0.000 1.068 5063 I CB 0.304 38.283 38.000 -0.036 0.000 1.669 5063 I HN -0.186 nan 8.210 nan 0.000 0.686 5064 R N 1.444 121.931 120.500 -0.022 0.000 2.886 5064 R HA 0.345 5.087 4.340 0.669 0.000 0.306 5064 R C -0.771 175.523 176.300 -0.010 0.000 1.300 5064 R CA -0.165 55.941 56.100 0.011 0.000 1.441 5064 R CB 0.021 30.364 30.300 0.072 0.000 1.328 5064 R HN 0.715 nan 8.270 nan 0.000 0.629 5065 E N 1.944 122.106 120.200 -0.063 0.000 2.141 5065 E HA 0.394 5.146 4.350 0.669 0.000 0.259 5065 E C -2.591 173.938 176.600 -0.120 0.000 0.883 5065 E CA -1.953 54.408 56.400 -0.065 0.000 0.744 5065 E CB 1.830 31.494 29.700 -0.059 0.000 1.150 5065 E HN -0.060 nan 8.360 nan 0.000 0.420 5066 P HA 0.110 nan 4.420 nan 0.000 0.287 5066 P C -1.047 176.159 177.300 -0.156 0.000 1.281 5066 P CA -0.414 62.570 63.100 -0.193 0.000 0.781 5066 P CB 1.248 32.865 31.700 -0.138 0.000 0.903 5067 V N 3.565 123.373 119.914 -0.178 0.000 2.333 5067 V HA 0.222 4.743 4.120 0.669 0.000 0.274 5067 V C 0.634 176.635 176.094 -0.155 0.000 1.028 5067 V CA -0.200 62.018 62.300 -0.137 0.000 0.851 5067 V CB 1.124 32.876 31.823 -0.118 0.000 1.000 5067 V HN 0.510 nan 8.190 nan 0.000 0.456 5068 S N 3.938 119.555 115.700 -0.138 0.000 2.545 5068 S HA 0.610 5.481 4.470 0.669 0.000 0.275 5068 S C 0.545 175.081 174.600 -0.106 0.000 1.299 5068 S CA 0.204 58.312 58.200 -0.153 0.000 1.048 5068 S CB 0.830 63.952 63.200 -0.129 0.000 0.938 5068 S HN 1.074 nan 8.310 nan 0.000 0.496 5069 G N 2.245 110.981 108.800 -0.107 0.000 4.341 5069 G HA2 0.445 4.806 3.960 0.669 0.000 0.251 5069 G HA3 0.445 4.806 3.960 0.669 0.000 0.251 5069 G C -0.704 174.108 174.900 -0.148 0.000 1.036 5069 G CA -0.087 44.951 45.100 -0.104 0.000 0.708 5069 G HN 0.954 nan 8.290 nan 0.000 0.510 5070 S N 0.180 115.799 115.700 -0.135 0.000 2.546 5070 S HA 0.478 5.349 4.470 0.669 0.000 0.272 5070 S C 0.970 175.442 174.600 -0.213 0.000 1.140 5070 S CA -0.669 57.421 58.200 -0.183 0.000 0.920 5070 S CB 1.449 64.698 63.200 0.081 0.000 1.083 5070 S HN 0.088 nan 8.310 nan 0.000 0.476 5071 L N 3.037 124.046 121.223 -0.358 0.000 2.079 5071 L HA 0.014 4.755 4.340 0.669 0.000 0.210 5071 L C 2.237 179.016 176.870 -0.152 0.000 1.081 5071 L CA 1.561 56.248 54.840 -0.255 0.000 0.752 5071 L CB -0.612 41.305 42.059 -0.235 0.000 0.896 5071 L HN 0.726 nan 8.230 nan 0.000 0.433 5072 L N -2.021 119.105 121.223 -0.162 0.000 2.551 5072 L HA -0.129 4.612 4.340 0.669 0.000 0.228 5072 L C 1.125 177.824 176.870 -0.285 0.000 1.153 5072 L CA 0.457 55.169 54.840 -0.214 0.000 0.851 5072 L CB -0.124 41.776 42.059 -0.265 0.000 0.959 5072 L HN 0.287 nan 8.230 nan 0.000 0.451 5073 Y N -0.408 119.835 120.300 -0.096 0.000 2.584 5073 Y HA 0.343 5.293 4.550 0.667 0.000 0.254 5073 Y C 1.228 177.080 175.900 -0.080 0.000 1.177 5073 Y CA -0.231 57.823 58.100 -0.077 0.000 1.216 5073 Y CB 0.865 39.279 38.460 -0.076 0.000 1.172 5073 Y HN 0.086 nan 8.280 nan 0.000 0.529 5074 G N 1.212 110.027 108.800 0.026 0.000 2.427 5074 G HA2 -0.210 4.151 3.960 0.669 0.000 0.193 5074 G HA3 -0.210 4.151 3.960 0.669 0.000 0.193 5074 G C -0.913 173.965 174.900 -0.038 0.000 1.086 5074 G CA -0.701 44.397 45.100 -0.004 0.000 0.818 5074 G HN 0.277 nan 8.290 nan 0.000 0.490 5075 N N -0.083 118.567 118.700 -0.083 0.000 2.258 5075 N HA 0.575 5.716 4.740 0.669 0.000 0.299 5075 N C -0.230 175.221 175.510 -0.099 0.000 1.047 5075 N CA -0.770 52.213 53.050 -0.112 0.000 0.814 5075 N CB 1.223 39.581 38.487 -0.216 0.000 1.413 5075 N HN 0.239 nan 8.380 nan 0.000 0.478 5076 N N 0.822 119.490 118.700 -0.052 0.000 2.434 5076 N HA 0.298 5.439 4.740 0.669 0.000 0.266 5076 N C 1.143 176.657 175.510 0.006 0.000 1.223 5076 N CA -0.447 52.591 53.050 -0.019 0.000 0.972 5076 N CB 0.622 39.107 38.487 -0.002 0.000 1.207 5076 N HN 0.414 nan 8.380 nan 0.000 0.525 5077 I N 1.170 121.775 120.570 0.058 0.000 2.423 5077 I HA -0.214 4.357 4.170 0.669 0.000 0.254 5077 I C 1.449 177.688 176.117 0.203 0.000 1.151 5077 I CA 1.086 62.483 61.300 0.161 0.000 1.421 5077 I CB -0.712 37.382 38.000 0.156 0.000 1.079 5077 I HN 0.515 nan 8.210 nan 0.000 0.431 5078 I N 0.444 121.090 120.570 0.127 0.000 2.333 5078 I HA -0.180 4.391 4.170 0.669 0.000 0.246 5078 I C 2.705 178.904 176.117 0.137 0.000 1.106 5078 I CA 1.508 62.892 61.300 0.140 0.000 1.411 5078 I CB -1.015 37.032 38.000 0.079 0.000 1.082 5078 I HN 0.236 nan 8.210 nan 0.000 0.420 5079 T N -0.695 113.901 114.554 0.071 0.000 2.962 5079 T HA 0.050 4.801 4.350 0.669 0.000 0.270 5079 T C 1.319 176.049 174.700 0.050 0.000 1.088 5079 T CA 0.439 62.566 62.100 0.044 0.000 1.127 5079 T CB -1.182 67.683 68.868 -0.004 0.000 0.883 5079 T HN 0.290 nan 8.240 nan 0.000 0.493 5080 G N 0.872 109.703 108.800 0.051 0.000 2.474 5080 G HA2 0.444 4.805 3.960 0.669 0.000 0.233 5080 G HA3 0.444 4.805 3.960 0.669 0.000 0.233 5080 G C -0.191 174.889 174.900 0.300 0.000 1.278 5080 G CA -0.076 45.002 45.100 -0.037 0.000 0.861 5080 G HN 1.318 nan 8.290 nan 0.000 0.567 5081 A N 0.336 123.325 122.820 0.282 0.000 2.601 5081 A HA 0.456 5.177 4.320 0.669 0.000 0.303 5081 A C -0.962 176.750 177.584 0.213 0.000 1.004 5081 A CA -0.569 51.683 52.037 0.359 0.000 0.742 5081 A CB 0.545 19.656 19.000 0.185 0.000 1.250 5081 A HN 1.446 nan 8.150 nan 0.000 0.406 5082 V N 2.549 122.614 119.914 0.252 0.000 2.394 5082 V HA 0.537 5.058 4.120 0.669 0.000 0.282 5082 V C 0.713 176.774 176.094 -0.056 0.000 1.031 5082 V CA -0.327 62.046 62.300 0.121 0.000 0.881 5082 V CB 1.207 33.169 31.823 0.231 0.000 0.982 5082 V HN 1.217 nan 8.190 nan 0.000 0.451 5083 V N 4.186 124.014 119.914 -0.143 0.000 2.953 5083 V HA 0.449 4.971 4.120 0.669 0.000 0.304 5083 V C -2.090 173.747 176.094 -0.427 0.000 1.073 5083 V CA -1.881 60.258 62.300 -0.268 0.000 1.064 5083 V CB 0.368 32.063 31.823 -0.214 0.000 1.047 5083 V HN 0.643 nan 8.190 nan 0.000 0.478 5084 P HA 0.180 nan 4.420 nan 0.000 0.285 5084 P C -0.237 176.966 177.300 -0.162 0.000 1.282 5084 P CA -0.130 62.622 63.100 -0.579 0.000 0.778 5084 P CB 0.212 31.667 31.700 -0.409 0.000 1.222 5085 S N -1.683 114.043 115.700 0.042 0.000 2.654 5085 S HA 0.444 5.315 4.470 0.669 0.000 0.283 5085 S C 0.078 174.625 174.600 -0.088 0.000 1.180 5085 S CA -0.591 57.569 58.200 -0.067 0.000 1.021 5085 S CB 0.875 64.074 63.200 -0.002 0.000 1.018 5085 S HN 0.378 nan 8.310 nan 0.000 0.532 5086 S N -0.001 115.596 115.700 -0.172 0.000 2.601 5086 S HA 0.206 5.077 4.470 0.669 0.000 0.271 5086 S C 1.015 175.558 174.600 -0.095 0.000 1.305 5086 S CA -0.643 57.469 58.200 -0.147 0.000 1.022 5086 S CB -0.227 62.859 63.200 -0.191 0.000 0.940 5086 S HN 0.774 nan 8.310 nan 0.000 0.525 5087 N N 2.089 120.740 118.700 -0.080 0.000 2.503 5087 N HA -0.147 4.994 4.740 0.669 0.000 0.189 5087 N C 1.665 177.127 175.510 -0.080 0.000 1.048 5087 N CA 0.838 53.846 53.050 -0.070 0.000 0.905 5087 N CB -0.147 38.295 38.487 -0.075 0.000 0.951 5087 N HN 0.666 nan 8.380 nan 0.000 0.446 5088 A N 0.571 123.335 122.820 -0.093 0.000 1.929 5088 A HA -0.062 4.659 4.320 0.669 0.000 0.216 5088 A C 1.967 179.487 177.584 -0.106 0.000 1.176 5088 A CA 0.929 52.911 52.037 -0.092 0.000 0.628 5088 A CB -0.202 18.745 19.000 -0.089 0.000 0.816 5088 A HN 0.225 nan 8.150 nan 0.000 0.444 5089 I N -2.127 118.382 120.570 -0.102 0.000 2.556 5089 I HA 0.188 4.759 4.170 0.669 0.000 0.251 5089 I C 2.228 178.348 176.117 0.005 0.000 1.105 5089 I CA 0.653 61.927 61.300 -0.043 0.000 1.436 5089 I CB -0.879 37.100 38.000 -0.035 0.000 1.139 5089 I HN 0.445 nan 8.210 nan 0.000 0.438 5090 G N 2.165 110.983 108.800 0.030 0.000 3.581 5090 G HA2 -0.359 4.002 3.960 0.669 0.000 0.336 5090 G HA3 -0.359 4.002 3.960 0.669 0.000 0.336 5090 G C 0.958 175.971 174.900 0.188 0.000 1.259 5090 G CA 0.942 46.073 45.100 0.051 0.000 1.001 5090 G HN 0.326 nan 8.290 nan 0.000 0.662 5091 L N 0.348 121.676 121.223 0.174 0.000 2.537 5091 L HA 0.290 5.032 4.340 0.669 0.000 0.224 5091 L C 1.478 178.628 176.870 0.467 0.000 1.065 5091 L CA -0.123 54.897 54.840 0.300 0.000 0.860 5091 L CB -0.175 41.963 42.059 0.132 0.000 1.086 5091 L HN 0.496 nan 8.230 nan 0.000 0.482 5092 H N 0.128 119.347 119.070 0.248 0.000 3.095 5092 H HA -0.135 4.821 4.556 0.667 0.000 0.351 5092 H C -0.440 175.127 175.328 0.397 0.000 1.123 5092 H CA 0.057 56.263 56.048 0.265 0.000 1.368 5092 H CB 0.470 30.358 29.762 0.209 0.000 1.293 5092 H HN 0.060 nan 8.280 nan 0.000 0.606 5093 F N 3.900 124.001 119.950 0.253 0.000 2.404 5093 F HA 0.059 4.989 4.527 0.671 0.000 0.359 5093 F C -0.569 175.338 175.800 0.178 0.000 1.134 5093 F CA -0.715 57.402 58.000 0.196 0.000 1.160 5093 F CB 0.112 39.157 39.000 0.077 0.000 1.186 5093 F HN 0.514 nan 8.300 nan 0.000 0.526 5094 Y N 9.753 130.181 120.300 0.213 0.000 2.888 5094 Y HA 0.332 5.282 4.550 0.666 0.000 0.341 5094 Y C -2.211 173.565 175.900 -0.206 0.000 1.241 5094 Y CA -2.554 55.521 58.100 -0.042 0.000 1.440 5094 Y CB -0.006 38.489 38.460 0.058 0.000 1.517 5094 Y HN 0.373 nan 8.280 nan 0.000 0.518 5095 P HA 0.126 nan 4.420 nan 0.000 0.278 5095 P C 1.074 177.738 177.300 -1.060 0.000 1.258 5095 P CA -0.166 62.226 63.100 -1.180 0.000 0.811 5095 P CB 1.893 32.171 31.700 -2.370 0.000 1.063 5096 I N -0.444 119.581 120.570 -0.910 0.000 2.381 5096 I HA -0.242 4.329 4.170 0.669 0.000 0.255 5096 I C 2.008 177.841 176.117 -0.472 0.000 1.140 5096 I CA 1.899 62.677 61.300 -0.869 0.000 1.404 5096 I CB -0.547 36.995 38.000 -0.765 0.000 1.075 5096 I HN 0.543 nan 8.210 nan 0.000 0.433 5097 W N 0.611 121.704 121.300 -0.345 0.000 2.576 5097 W HA 0.094 5.154 4.660 0.667 0.000 0.275 5097 W C 1.910 178.293 176.519 -0.226 0.000 1.241 5097 W CA 0.037 57.234 57.345 -0.246 0.000 1.328 5097 W CB -0.794 28.555 29.460 -0.185 0.000 1.092 5097 W HN -0.167 nan 8.180 nan 0.000 0.586 5098 E N 1.441 121.313 120.200 -0.548 0.000 2.209 5098 E HA -0.071 4.681 4.350 0.669 0.000 0.196 5098 E C 0.827 177.274 176.600 -0.255 0.000 0.993 5098 E CA 1.130 57.324 56.400 -0.343 0.000 0.819 5098 E CB -0.488 28.940 29.700 -0.453 0.000 0.745 5098 E HN 0.267 nan 8.360 nan 0.000 0.477 5099 A N 0.680 123.268 122.820 -0.386 0.000 2.363 5099 A HA 0.463 5.184 4.320 0.669 0.000 0.270 5099 A C 0.981 178.545 177.584 -0.032 0.000 1.121 5099 A CA 0.437 52.365 52.037 -0.182 0.000 0.800 5099 A CB 0.829 19.723 19.000 -0.177 0.000 1.052 5099 A HN 0.156 nan 8.150 nan 0.000 0.493 5100 A N 2.272 125.117 122.820 0.041 0.000 2.532 5100 A HA 0.273 4.995 4.320 0.669 0.000 0.180 5100 A C 1.652 179.263 177.584 0.046 0.000 1.274 5100 A CA 1.098 53.160 52.037 0.042 0.000 0.785 5100 A CB -1.346 17.685 19.000 0.052 0.000 0.945 5100 A HN 1.862 nan 8.150 nan 0.000 0.536 5101 S N -0.551 115.184 115.700 0.059 0.000 2.558 5101 S HA 0.068 4.939 4.470 0.669 0.000 0.293 5101 S C 1.221 175.877 174.600 0.094 0.000 1.292 5101 S CA 0.027 58.264 58.200 0.061 0.000 1.063 5101 S CB 0.242 63.475 63.200 0.056 0.000 0.831 5101 S HN 0.841 nan 8.310 nan 0.000 0.499 5102 L N 4.371 125.641 121.223 0.078 0.000 2.051 5102 L HA -0.147 4.594 4.340 0.669 0.000 0.214 5102 L C 1.710 178.708 176.870 0.212 0.000 1.076 5102 L CA 2.365 57.271 54.840 0.110 0.000 0.758 5102 L CB -1.857 40.246 42.059 0.074 0.000 0.890 5102 L HN 0.866 nan 8.230 nan 0.000 0.433 5103 D N -0.874 119.622 120.400 0.160 0.000 2.265 5103 D HA -0.205 4.836 4.640 0.669 0.000 0.208 5103 D C 2.066 178.488 176.300 0.203 0.000 0.977 5103 D CA 1.122 55.223 54.000 0.169 0.000 0.871 5103 D CB 0.070 40.928 40.800 0.095 0.000 0.925 5103 D HN 0.578 nan 8.370 nan 0.000 0.485 5104 E N -0.559 119.771 120.200 0.216 0.000 2.015 5104 E HA -0.189 4.562 4.350 0.669 0.000 0.191 5104 E C 1.764 178.613 176.600 0.415 0.000 0.991 5104 E CA 0.790 57.351 56.400 0.268 0.000 0.802 5104 E CB -0.172 29.682 29.700 0.258 0.000 0.759 5104 E HN 0.403 nan 8.360 nan 0.000 0.447 5105 W N 1.617 123.066 121.300 0.248 0.000 2.305 5105 W HA -0.270 4.787 4.660 0.662 0.000 0.308 5105 W C 1.825 178.495 176.519 0.253 0.000 1.226 5105 W CA 1.868 59.418 57.345 0.341 0.000 1.253 5105 W CB -0.449 29.047 29.460 0.059 0.000 1.146 5105 W HN 0.116 nan 8.180 nan 0.000 0.507 5106 L N -0.899 120.529 121.223 0.342 0.000 1.956 5106 L HA -0.315 4.426 4.340 0.669 0.000 0.216 5106 L C 2.488 179.369 176.870 0.018 0.000 1.073 5106 L CA 2.174 57.090 54.840 0.127 0.000 0.762 5106 L CB -1.580 40.609 42.059 0.216 0.000 0.889 5106 L HN 0.087 nan 8.230 nan 0.000 0.433 5107 Y N 1.372 121.650 120.300 -0.037 0.000 2.070 5107 Y HA -0.269 4.683 4.550 0.670 0.000 0.280 5107 Y C 2.139 177.951 175.900 -0.146 0.000 1.148 5107 Y CA 2.001 60.050 58.100 -0.085 0.000 1.125 5107 Y CB -0.391 38.044 38.460 -0.042 0.000 0.975 5107 Y HN 0.216 nan 8.280 nan 0.000 0.492 5108 N N 0.774 119.491 118.700 0.028 0.000 2.680 5108 N HA 0.052 5.193 4.740 0.669 0.000 0.197 5108 N C 0.550 175.824 175.510 -0.392 0.000 1.288 5108 N CA 1.087 53.990 53.050 -0.246 0.000 0.924 5108 N CB -0.668 37.599 38.487 -0.367 0.000 1.025 5108 N HN 0.546 nan 8.380 nan 0.000 0.447 5109 G N -0.414 108.173 108.800 -0.356 0.000 2.359 5109 G HA2 -0.228 4.133 3.960 0.669 0.000 0.298 5109 G HA3 -0.228 4.133 3.960 0.669 0.000 0.298 5109 G C 0.898 175.513 174.900 -0.474 0.000 1.030 5109 G CA 0.204 45.065 45.100 -0.399 0.000 1.149 5109 G HN 0.495 nan 8.290 nan 0.000 0.512 5110 G N 0.149 108.451 108.800 -0.830 0.000 2.777 5110 G HA2 0.327 4.688 3.960 0.669 0.000 0.211 5110 G HA3 0.327 4.688 3.960 0.669 0.000 0.211 5110 G C 0.317 174.620 174.900 -0.996 0.000 1.149 5110 G CA 0.950 45.472 45.100 -0.964 0.000 0.785 5110 G HN 0.583 nan 8.290 nan 0.000 0.536 5111 P HA -0.237 nan 4.420 nan 0.000 0.215 5111 P C 1.402 178.669 177.300 -0.054 0.000 1.157 5111 P CA 0.752 63.621 63.100 -0.386 0.000 0.863 5111 P CB -0.124 31.415 31.700 -0.268 0.000 0.787 5112 Y N 1.454 121.575 120.300 -0.298 0.000 1.938 5112 Y HA -0.371 4.580 4.550 0.668 0.000 0.253 5112 Y C 2.923 178.570 175.900 -0.421 0.000 1.163 5112 Y CA 2.216 60.130 58.100 -0.309 0.000 1.086 5112 Y CB -0.904 37.359 38.460 -0.329 0.000 0.928 5112 Y HN -0.050 nan 8.280 nan 0.000 0.493 5113 Q N -0.619 118.803 119.800 -0.630 0.000 2.142 5113 Q HA -0.311 4.430 4.340 0.669 0.000 0.213 5113 Q C 2.073 177.683 176.000 -0.650 0.000 1.004 5113 Q CA 1.962 57.047 55.803 -1.197 0.000 0.883 5113 Q CB -0.492 27.795 28.738 -0.751 0.000 0.939 5113 Q HN 0.497 nan 8.270 nan 0.000 0.413 5114 L N 0.701 121.868 121.223 -0.094 0.000 1.943 5114 L HA -0.208 4.533 4.340 0.669 0.000 0.215 5114 L C 2.201 179.059 176.870 -0.020 0.000 1.074 5114 L CA 1.678 56.555 54.840 0.062 0.000 0.759 5114 L CB -1.132 41.036 42.059 0.181 0.000 0.888 5114 L HN 0.182 nan 8.230 nan 0.000 0.433 5115 I N -0.337 120.221 120.570 -0.020 0.000 2.068 5115 I HA -0.346 4.225 4.170 0.669 0.000 0.238 5115 I C 2.573 178.628 176.117 -0.102 0.000 1.046 5115 I CA 1.820 63.120 61.300 -0.001 0.000 1.306 5115 I CB -0.640 37.392 38.000 0.054 0.000 1.023 5115 I HN 0.354 nan 8.210 nan 0.000 0.399 5116 I N 0.147 120.479 120.570 -0.396 0.000 2.052 5116 I HA -0.423 4.148 4.170 0.669 0.000 0.235 5116 I C 2.577 178.498 176.117 -0.326 0.000 1.046 5116 I CA 1.945 62.876 61.300 -0.615 0.000 1.308 5116 I CB -0.334 36.917 38.000 -1.248 0.000 1.031 5116 I HN 0.138 nan 8.210 nan 0.000 0.395 5117 F N -0.031 119.728 119.950 -0.319 0.000 2.111 5117 F HA -0.376 4.541 4.527 0.650 0.000 0.300 5117 F C 2.513 178.258 175.800 -0.093 0.000 1.088 5117 F CA 1.487 59.364 58.000 -0.204 0.000 1.243 5117 F CB -0.702 38.226 39.000 -0.120 0.000 0.996 5117 F HN 0.326 nan 8.300 nan 0.000 0.483 5118 H N -0.595 118.531 119.070 0.094 0.000 2.253 5118 H HA -0.182 4.771 4.556 0.662 0.000 0.299 5118 H C 1.920 177.302 175.328 0.090 0.000 1.064 5118 H CA 2.119 58.227 56.048 0.099 0.000 1.264 5118 H CB -1.028 28.811 29.762 0.127 0.000 1.371 5118 H HN 0.314 nan 8.280 nan 0.000 0.493 5119 F N 0.636 120.641 119.950 0.093 0.000 2.043 5119 F HA -0.231 4.259 4.527 -0.062 0.000 0.297 5119 F C 2.298 178.072 175.800 -0.043 0.000 1.121 5119 F CA 1.028 59.039 58.000 0.018 0.000 1.199 5119 F CB -0.439 38.539 39.000 -0.037 0.000 0.968 5119 F HN 0.171 nan 8.300 nan 0.000 0.478 5120 L N 0.884 121.567 121.223 -0.900 0.000 2.283 5120 L HA -0.215 4.526 4.340 0.669 0.000 0.217 5120 L C 1.859 178.309 176.870 -0.699 0.000 1.104 5120 L CA 1.720 55.886 54.840 -1.125 0.000 0.772 5120 L CB -0.971 40.607 42.059 -0.802 0.000 0.899 5120 L HN 0.569 nan 8.230 nan 0.000 0.439 5121 L N -0.376 120.686 121.223 -0.268 0.000 2.255 5121 L HA 0.253 4.995 4.340 0.669 0.000 0.196 5121 L C 2.444 179.347 176.870 0.054 0.000 1.202 5121 L CA 1.680 56.480 54.840 -0.067 0.000 0.819 5121 L CB -1.362 40.660 42.059 -0.062 0.000 1.006 5121 L HN 0.097 nan 8.230 nan 0.000 0.480 5122 G N -0.355 108.499 108.800 0.089 0.000 2.657 5122 G HA2 -0.381 3.980 3.960 0.669 0.000 0.224 5122 G HA3 -0.381 3.980 3.960 0.669 0.000 0.224 5122 G C 1.464 176.520 174.900 0.260 0.000 1.086 5122 G CA 1.319 46.520 45.100 0.169 0.000 0.730 5122 G HN 0.762 nan 8.290 nan 0.000 0.602 5123 A N 0.835 123.834 122.820 0.297 0.000 1.851 5123 A HA -0.034 4.687 4.320 0.669 0.000 0.216 5123 A C 2.739 180.533 177.584 0.351 0.000 1.195 5123 A CA 2.373 54.652 52.037 0.402 0.000 0.622 5123 A CB -0.863 18.357 19.000 0.367 0.000 0.831 5123 A HN 0.363 nan 8.150 nan 0.000 0.444 5124 S N -0.860 115.010 115.700 0.283 0.000 2.374 5124 S HA -0.236 4.635 4.470 0.669 0.000 0.227 5124 S C 1.904 176.573 174.600 0.115 0.000 1.037 5124 S CA 1.483 59.830 58.200 0.245 0.000 1.024 5124 S CB -0.871 62.485 63.200 0.259 0.000 0.861 5124 S HN 0.689 nan 8.310 nan 0.000 0.456 5125 C N 0.490 119.857 119.300 0.112 0.000 2.422 5125 C HA -0.079 4.782 4.460 0.669 0.000 0.279 5125 C C 2.266 177.312 174.990 0.095 0.000 1.305 5125 C CA 0.439 59.475 59.018 0.030 0.000 1.757 5125 C CB -1.423 26.431 27.740 0.191 0.000 1.962 5125 C HN 0.741 nan 8.230 nan 0.000 0.499 5126 Y N 1.100 121.430 120.300 0.050 0.000 2.242 5126 Y HA -0.268 4.712 4.550 0.717 0.000 0.291 5126 Y C 2.542 178.399 175.900 -0.072 0.000 1.137 5126 Y CA 1.571 59.675 58.100 0.007 0.000 1.181 5126 Y CB -0.292 38.189 38.460 0.035 0.000 0.989 5126 Y HN 0.347 nan 8.280 nan 0.000 0.527 5127 M N 0.528 120.295 119.600 0.278 0.000 2.117 5127 M HA -0.061 4.820 4.480 0.669 0.000 0.262 5127 M C 2.122 178.466 176.300 0.073 0.000 1.065 5127 M CA 2.351 57.783 55.300 0.220 0.000 1.114 5127 M CB -0.665 32.130 32.600 0.324 0.000 1.361 5127 M HN 0.236 nan 8.290 nan 0.000 0.408 5128 G N 0.017 108.671 108.800 -0.244 0.000 2.464 5128 G HA2 -0.213 4.149 3.960 0.669 0.000 0.214 5128 G HA3 -0.213 4.149 3.960 0.669 0.000 0.214 5128 G C 1.583 176.554 174.900 0.119 0.000 1.218 5128 G CA 0.675 45.354 45.100 -0.701 0.000 0.794 5128 G HN 0.536 nan 8.290 nan 0.000 0.542 5129 R N 0.500 121.160 120.500 0.266 0.000 2.377 5129 R HA -0.063 4.678 4.340 0.669 0.000 0.207 5129 R C 2.296 178.759 176.300 0.271 0.000 1.075 5129 R CA 1.191 57.554 56.100 0.439 0.000 1.035 5129 R CB -0.072 30.337 30.300 0.182 0.000 0.857 5129 R HN 0.466 nan 8.270 nan 0.000 0.475 5130 Q N -0.763 119.206 119.800 0.282 0.000 2.212 5130 Q HA -0.138 4.603 4.340 0.669 0.000 0.199 5130 Q C 1.419 177.609 176.000 0.318 0.000 0.950 5130 Q CA 1.402 57.354 55.803 0.248 0.000 0.863 5130 Q CB -0.211 28.645 28.738 0.196 0.000 0.944 5130 Q HN 0.550 nan 8.270 nan 0.000 0.465 5131 W N -0.070 121.347 121.300 0.194 0.000 2.735 5131 W HA 0.245 5.302 4.660 0.662 0.000 0.264 5131 W C 1.554 178.243 176.519 0.283 0.000 1.233 5131 W CA 0.370 57.848 57.345 0.221 0.000 1.408 5131 W CB 0.142 29.724 29.460 0.204 0.000 1.038 5131 W HN 0.189 nan 8.180 nan 0.000 0.603 5132 E N 0.660 121.105 120.200 0.408 0.000 2.219 5132 E HA -0.284 4.467 4.350 0.669 0.000 0.198 5132 E C 1.905 178.452 176.600 -0.089 0.000 0.998 5132 E CA 1.448 57.873 56.400 0.041 0.000 0.818 5132 E CB -0.222 29.830 29.700 0.587 0.000 0.741 5132 E HN 0.351 nan 8.360 nan 0.000 0.477 5133 L N 0.217 121.458 121.223 0.029 0.000 2.341 5133 L HA -0.020 4.721 4.340 0.669 0.000 0.214 5133 L C 2.102 178.841 176.870 -0.217 0.000 1.115 5133 L CA 1.411 56.160 54.840 -0.151 0.000 0.820 5133 L CB -0.072 41.996 42.059 0.016 0.000 0.944 5133 L HN 0.104 nan 8.230 nan 0.000 0.452 5134 S N -2.397 113.167 115.700 -0.226 0.000 2.561 5134 S HA -0.130 4.741 4.470 0.669 0.000 0.225 5134 S C 1.782 176.223 174.600 -0.265 0.000 0.977 5134 S CA 0.442 58.525 58.200 -0.196 0.000 0.926 5134 S CB -0.597 62.556 63.200 -0.077 0.000 0.769 5134 S HN 0.504 nan 8.310 nan 0.000 0.533 5135 Y N 2.557 122.483 120.300 -0.623 0.000 2.314 5135 Y HA 0.327 5.278 4.550 0.668 0.000 0.294 5135 Y C 2.206 177.916 175.900 -0.316 0.000 1.139 5135 Y CA 0.409 58.201 58.100 -0.513 0.000 1.162 5135 Y CB -0.076 37.915 38.460 -0.782 0.000 1.121 5135 Y HN 0.019 nan 8.280 nan 0.000 0.529 5136 R N 0.065 120.349 120.500 -0.360 0.000 2.189 5136 R HA -0.031 4.710 4.340 0.669 0.000 0.223 5136 R C 1.768 177.866 176.300 -0.336 0.000 1.092 5136 R CA 0.714 56.584 56.100 -0.383 0.000 0.989 5136 R CB -0.691 29.345 30.300 -0.440 0.000 0.876 5136 R HN 0.362 nan 8.270 nan 0.000 0.457 5137 L N -0.615 120.432 121.223 -0.294 0.000 2.477 5137 L HA 0.182 4.923 4.340 0.669 0.000 0.220 5137 L C 0.771 177.536 176.870 -0.175 0.000 1.106 5137 L CA 1.015 55.728 54.840 -0.211 0.000 0.851 5137 L CB -0.697 41.260 42.059 -0.170 0.000 0.994 5137 L HN 0.398 nan 8.230 nan 0.000 0.462 5138 G N 1.968 110.645 108.800 -0.204 0.000 2.198 5138 G HA2 -0.283 4.078 3.960 0.669 0.000 0.257 5138 G HA3 -0.283 4.078 3.960 0.669 0.000 0.257 5138 G C 0.252 175.102 174.900 -0.082 0.000 1.042 5138 G CA 0.653 45.659 45.100 -0.156 0.000 0.791 5138 G HN 0.439 nan 8.290 nan 0.000 0.502 5139 M N -0.911 118.652 119.600 -0.063 0.000 2.508 5139 M HA 0.760 5.641 4.480 0.669 0.000 0.327 5139 M C 0.473 176.778 176.300 0.008 0.000 1.160 5139 M CA -1.196 54.088 55.300 -0.027 0.000 0.980 5139 M CB 1.336 33.925 32.600 -0.018 0.000 1.693 5139 M HN 0.090 nan 8.290 nan 0.000 0.452 5140 R N 1.813 122.309 120.500 -0.008 0.000 2.587 5140 R HA 0.052 4.793 4.340 0.669 0.000 0.268 5140 R C -2.075 174.270 176.300 0.075 0.000 0.978 5140 R CA -0.421 55.670 56.100 -0.014 0.000 1.097 5140 R CB -0.461 29.747 30.300 -0.153 0.000 0.917 5140 R HN 0.508 nan 8.270 nan 0.000 0.414 5141 P HA 0.087 nan 4.420 nan 0.000 0.324 5141 P C -0.580 176.993 177.300 0.454 0.000 1.720 5141 P CA -0.402 62.897 63.100 0.330 0.000 1.431 5141 P CB 0.065 32.050 31.700 0.475 0.000 1.700 5142 W N 0.119 121.559 121.300 0.232 0.000 3.422 5142 W HA 0.271 5.332 4.660 0.668 0.000 0.337 5142 W C 0.522 177.163 176.519 0.203 0.000 1.234 5142 W CA -1.584 55.894 57.345 0.221 0.000 1.686 5142 W CB -1.737 27.854 29.460 0.218 0.000 0.964 5142 W HN -0.005 nan 8.180 nan 0.000 0.776 5143 I N 1.544 122.430 120.570 0.527 0.000 2.364 5143 I HA -0.166 4.405 4.170 0.669 0.000 0.241 5143 I C 2.635 178.930 176.117 0.296 0.000 1.082 5143 I CA 1.749 63.276 61.300 0.377 0.000 1.401 5143 I CB -0.559 37.627 38.000 0.310 0.000 1.126 5143 I HN 0.102 nan 8.210 nan 0.000 0.429 5144 C N 0.083 119.581 119.300 0.329 0.000 2.396 5144 C HA -0.185 4.676 4.460 0.669 0.000 0.279 5144 C C 2.697 177.856 174.990 0.282 0.000 1.229 5144 C CA 1.053 60.255 59.018 0.307 0.000 1.801 5144 C CB -1.977 25.973 27.740 0.349 0.000 2.050 5144 C HN 0.561 nan 8.230 nan 0.000 0.491 5145 V N 2.326 122.395 119.914 0.258 0.000 2.343 5145 V HA -0.003 4.518 4.120 0.669 0.000 0.247 5145 V C 2.980 179.165 176.094 0.153 0.000 1.051 5145 V CA 2.579 65.024 62.300 0.241 0.000 1.036 5145 V CB -1.197 30.784 31.823 0.264 0.000 0.654 5145 V HN 0.738 nan 8.190 nan 0.000 0.451 5146 A N -0.749 122.110 122.820 0.065 0.000 1.903 5146 A HA -0.341 4.381 4.320 0.669 0.000 0.219 5146 A C 2.193 179.759 177.584 -0.029 0.000 1.191 5146 A CA 2.467 54.456 52.037 -0.079 0.000 0.638 5146 A CB -1.321 17.662 19.000 -0.029 0.000 0.823 5146 A HN 0.829 nan 8.150 nan 0.000 0.451 5147 Y N 1.846 122.125 120.300 -0.034 0.000 2.315 5147 Y HA -0.274 4.670 4.550 0.657 0.000 0.288 5147 Y C 2.775 178.661 175.900 -0.022 0.000 1.154 5147 Y CA 1.603 59.677 58.100 -0.044 0.000 1.229 5147 Y CB -0.157 38.291 38.460 -0.020 0.000 0.980 5147 Y HN 0.567 nan 8.280 nan 0.000 0.540 5148 S N 0.537 116.265 115.700 0.046 0.000 2.398 5148 S HA -0.372 4.499 4.470 0.669 0.000 0.220 5148 S C 2.330 176.934 174.600 0.008 0.000 1.038 5148 S CA 1.513 59.761 58.200 0.080 0.000 1.080 5148 S CB -1.549 61.868 63.200 0.362 0.000 1.039 5148 S HN 0.592 nan 8.310 nan 0.000 0.419 5149 A N 3.510 126.361 122.820 0.051 0.000 1.935 5149 A HA -0.190 4.531 4.320 0.669 0.000 0.224 5149 A C 0.241 177.727 177.584 -0.164 0.000 1.324 5149 A CA 2.470 54.440 52.037 -0.111 0.000 0.686 5149 A CB -2.327 16.343 19.000 -0.550 0.000 0.837 5149 A HN 0.585 nan 8.150 nan 0.000 0.481 5150 P HA -0.164 nan 4.420 nan 0.000 0.208 5150 P C 1.916 179.053 177.300 -0.271 0.000 1.195 5150 P CA 1.252 64.163 63.100 -0.313 0.000 0.927 5150 P CB -0.248 31.172 31.700 -0.467 0.000 0.778 5151 L N -1.162 119.831 121.223 -0.382 0.000 2.137 5151 L HA -0.274 4.467 4.340 0.669 0.000 0.213 5151 L C 2.038 178.944 176.870 0.061 0.000 1.085 5151 L CA 2.152 56.906 54.840 -0.143 0.000 0.760 5151 L CB -0.991 40.992 42.059 -0.128 0.000 0.893 5151 L HN -0.086 nan 8.230 nan 0.000 0.434 5152 A N -0.588 122.213 122.820 -0.032 0.000 1.845 5152 A HA -0.208 4.514 4.320 0.669 0.000 0.215 5152 A C 2.356 179.921 177.584 -0.031 0.000 1.195 5152 A CA 2.103 54.118 52.037 -0.036 0.000 0.616 5152 A CB -1.087 17.894 19.000 -0.032 0.000 0.832 5152 A HN 0.568 nan 8.150 nan 0.000 0.443 5153 S N 0.173 115.813 115.700 -0.100 0.000 2.359 5153 S HA -0.168 4.703 4.470 0.669 0.000 0.222 5153 S C 2.334 176.788 174.600 -0.243 0.000 1.038 5153 S CA 1.588 59.687 58.200 -0.169 0.000 1.051 5153 S CB -0.796 62.286 63.200 -0.197 0.000 0.944 5153 S HN 0.903 nan 8.310 nan 0.000 0.433 5154 A N 0.393 123.054 122.820 -0.264 0.000 1.986 5154 A HA -0.132 4.589 4.320 0.669 0.000 0.220 5154 A C 1.900 179.188 177.584 -0.494 0.000 1.171 5154 A CA 1.562 53.311 52.037 -0.479 0.000 0.640 5154 A CB -0.835 18.049 19.000 -0.193 0.000 0.811 5154 A HN 0.463 nan 8.150 nan 0.000 0.451 5155 F N -0.419 119.355 119.950 -0.294 0.000 2.234 5155 F HA 0.084 5.045 4.527 0.723 0.000 0.296 5155 F C 2.664 178.384 175.800 -0.134 0.000 1.089 5155 F CA 0.872 58.773 58.000 -0.164 0.000 1.343 5155 F CB -0.253 38.667 39.000 -0.133 0.000 1.040 5155 F HN 0.257 nan 8.300 nan 0.000 0.498 5156 A N -0.153 122.679 122.820 0.020 0.000 1.873 5156 A HA -0.140 4.581 4.320 0.669 0.000 0.215 5156 A C 2.067 179.615 177.584 -0.060 0.000 1.186 5156 A CA 1.912 53.931 52.037 -0.029 0.000 0.616 5156 A CB -1.359 17.582 19.000 -0.099 0.000 0.823 5156 A HN 0.259 nan 8.150 nan 0.000 0.442 5157 V N -4.865 114.898 119.914 -0.251 0.000 3.573 5157 V HA 0.220 4.741 4.120 0.669 0.000 0.270 5157 V C 1.400 177.392 176.094 -0.169 0.000 1.221 5157 V CA 1.138 63.239 62.300 -0.332 0.000 1.163 5157 V CB -1.120 30.356 31.823 -0.578 0.000 0.847 5157 V HN 0.508 nan 8.190 nan 0.000 0.468 5158 F N -1.612 118.308 119.950 -0.051 0.000 2.880 5158 F HA 0.430 5.313 4.527 0.594 0.000 0.346 5158 F C 1.373 177.219 175.800 0.076 0.000 1.054 5158 F CA -0.196 57.786 58.000 -0.031 0.000 1.151 5158 F CB 1.054 39.959 39.000 -0.158 0.000 1.066 5158 F HN 0.203 nan 8.300 nan 0.000 0.566 5159 L N -0.410 120.960 121.223 0.245 0.000 2.885 5159 L HA 0.381 5.122 4.340 0.669 0.000 0.251 5159 L C 1.242 178.175 176.870 0.105 0.000 1.071 5159 L CA 0.809 55.786 54.840 0.230 0.000 0.956 5159 L CB -0.127 42.114 42.059 0.304 0.000 1.483 5159 L HN -0.051 nan 8.230 nan 0.000 0.525 5160 I N -1.679 118.949 120.570 0.096 0.000 2.272 5160 I HA -0.156 4.415 4.170 0.669 0.000 0.235 5160 I C 2.166 178.256 176.117 -0.045 0.000 1.071 5160 I CA 0.938 62.256 61.300 0.030 0.000 1.374 5160 I CB -0.660 37.369 38.000 0.048 0.000 1.121 5160 I HN 0.130 nan 8.210 nan 0.000 0.420 5161 Y N 2.553 122.790 120.300 -0.106 0.000 2.132 5161 Y HA -0.219 4.728 4.550 0.663 0.000 0.280 5161 Y C -0.592 175.240 175.900 -0.113 0.000 1.193 5161 Y CA 1.849 59.903 58.100 -0.077 0.000 1.157 5161 Y CB -1.903 36.620 38.460 0.105 0.000 0.966 5161 Y HN 0.121 nan 8.280 nan 0.000 0.511 5162 P HA -0.180 nan 4.420 nan 0.000 0.214 5162 P C 1.935 178.964 177.300 -0.453 0.000 1.162 5162 P CA 2.230 65.064 63.100 -0.443 0.000 0.879 5162 P CB -0.138 31.183 31.700 -0.633 0.000 0.786 5163 I N -1.144 119.214 120.570 -0.352 0.000 2.567 5163 I HA -0.142 4.429 4.170 0.669 0.000 0.257 5163 I C 2.319 178.289 176.117 -0.246 0.000 1.184 5163 I CA 1.429 62.587 61.300 -0.236 0.000 1.451 5163 I CB -1.003 36.940 38.000 -0.095 0.000 1.089 5163 I HN 0.035 nan 8.210 nan 0.000 0.441 5164 G N 0.100 108.657 108.800 -0.405 0.000 2.404 5164 G HA2 -0.168 4.193 3.960 0.669 0.000 0.214 5164 G HA3 -0.168 4.193 3.960 0.669 0.000 0.214 5164 G C 1.502 176.210 174.900 -0.321 0.000 1.189 5164 G CA 0.241 45.005 45.100 -0.559 0.000 0.789 5164 G HN 0.296 nan 8.290 nan 0.000 0.533 5165 Q N 0.114 119.679 119.800 -0.392 0.000 2.360 5165 Q HA 0.185 4.926 4.340 0.669 0.000 0.202 5165 Q C 1.817 177.690 176.000 -0.211 0.000 0.915 5165 Q CA 0.647 56.275 55.803 -0.291 0.000 0.943 5165 Q CB 0.866 29.351 28.738 -0.420 0.000 1.064 5165 Q HN 0.587 nan 8.270 nan 0.000 0.511 5166 G N 1.218 109.886 108.800 -0.219 0.000 2.253 5166 G HA2 -0.251 4.110 3.960 0.669 0.000 0.251 5166 G HA3 -0.251 4.110 3.960 0.669 0.000 0.251 5166 G C 0.280 175.077 174.900 -0.171 0.000 0.998 5166 G CA 0.572 45.578 45.100 -0.157 0.000 0.621 5166 G HN 0.366 nan 8.290 nan 0.000 0.524 5167 S N -1.279 114.293 115.700 -0.214 0.000 2.547 5167 S HA 0.673 5.544 4.470 0.669 0.000 0.281 5167 S C 0.572 175.068 174.600 -0.173 0.000 1.118 5167 S CA -0.298 57.810 58.200 -0.152 0.000 0.947 5167 S CB 0.747 63.907 63.200 -0.066 0.000 1.053 5167 S HN 0.375 nan 8.310 nan 0.000 0.482 5168 F N 2.797 122.758 119.950 0.019 0.000 2.583 5168 F HA -0.012 4.910 4.527 0.659 0.000 0.297 5168 F C 2.715 178.568 175.800 0.090 0.000 1.131 5168 F CA 1.248 59.283 58.000 0.058 0.000 1.467 5168 F CB -0.274 38.745 39.000 0.033 0.000 1.097 5168 F HN 0.705 nan 8.300 nan 0.000 0.586 5169 S N -0.103 115.678 115.700 0.135 0.000 2.372 5169 S HA -0.231 4.640 4.470 0.669 0.000 0.227 5169 S C 1.463 176.107 174.600 0.074 0.000 1.044 5169 S CA 1.875 60.114 58.200 0.066 0.000 1.050 5169 S CB -0.328 62.877 63.200 0.008 0.000 0.901 5169 S HN 0.336 nan 8.310 nan 0.000 0.447 5170 D N 1.268 121.710 120.400 0.069 0.000 2.706 5170 D HA 0.275 5.316 4.640 0.669 0.000 0.236 5170 D C 0.046 176.471 176.300 0.208 0.000 1.231 5170 D CA 0.093 54.190 54.000 0.162 0.000 0.828 5170 D CB 0.119 40.999 40.800 0.134 0.000 1.015 5170 D HN 0.436 nan 8.370 nan 0.000 0.484 5171 G N 1.170 110.055 108.800 0.143 0.000 2.522 5171 G HA2 0.275 4.637 3.960 0.669 0.000 0.318 5171 G HA3 0.275 4.637 3.960 0.669 0.000 0.318 5171 G C 0.398 175.254 174.900 -0.072 0.000 1.192 5171 G CA -0.682 44.475 45.100 0.096 0.000 0.988 5171 G HN 0.202 nan 8.290 nan 0.000 0.480 5172 M N 4.555 123.710 119.600 -0.741 0.000 2.553 5172 M HA -0.086 4.795 4.480 0.669 0.000 0.524 5172 M C -1.724 174.560 176.300 -0.027 0.000 1.352 5172 M CA -0.177 54.828 55.300 -0.492 0.000 0.781 5172 M CB -0.014 32.308 32.600 -0.463 0.000 1.718 5172 M HN 0.239 nan 8.290 nan 0.000 0.513 5173 P HA 0.004 nan 4.420 nan 0.000 0.263 5173 P C -0.789 176.476 177.300 -0.059 0.000 1.195 5173 P CA 0.275 63.253 63.100 -0.202 0.000 0.762 5173 P CB 0.260 31.878 31.700 -0.137 0.000 0.799 5174 L N 3.592 124.750 121.223 -0.108 0.000 2.774 5174 L HA 0.355 5.096 4.340 0.669 0.000 0.279 5174 L C 1.337 178.323 176.870 0.193 0.000 1.137 5174 L CA 0.706 55.575 54.840 0.049 0.000 1.021 5174 L CB -1.164 40.917 42.059 0.037 0.000 1.366 5174 L HN 0.673 nan 8.230 nan 0.000 0.471 5175 G N 2.171 111.087 108.800 0.193 0.000 2.340 5175 G HA2 0.192 4.554 3.960 0.669 0.000 0.300 5175 G HA3 0.192 4.554 3.960 0.669 0.000 0.300 5175 G C 0.157 175.186 174.900 0.216 0.000 1.488 5175 G CA -0.871 44.395 45.100 0.275 0.000 0.878 5175 G HN 0.289 nan 8.290 nan 0.000 0.618 5176 I N 0.324 121.046 120.570 0.254 0.000 2.090 5176 I HA -0.135 4.436 4.170 0.669 0.000 0.236 5176 I C 2.871 179.205 176.117 0.362 0.000 1.064 5176 I CA 1.962 63.414 61.300 0.254 0.000 1.324 5176 I CB -0.285 37.887 38.000 0.287 0.000 1.044 5176 I HN 0.528 nan 8.210 nan 0.000 0.399 5177 S N 0.653 116.569 115.700 0.360 0.000 2.474 5177 S HA -0.072 4.800 4.470 0.669 0.000 0.235 5177 S C 1.946 176.752 174.600 0.345 0.000 0.997 5177 S CA 1.136 59.586 58.200 0.415 0.000 0.949 5177 S CB -0.584 62.730 63.200 0.189 0.000 0.766 5177 S HN 0.568 nan 8.310 nan 0.000 0.517 5178 G N 1.214 110.158 108.800 0.239 0.000 2.433 5178 G HA2 -0.237 4.125 3.960 0.669 0.000 0.216 5178 G HA3 -0.237 4.125 3.960 0.669 0.000 0.216 5178 G C 1.659 176.680 174.900 0.203 0.000 1.186 5178 G CA 1.700 46.907 45.100 0.179 0.000 0.779 5178 G HN 0.672 nan 8.290 nan 0.000 0.543 5179 T N -0.080 114.563 114.554 0.149 0.000 2.607 5179 T HA -0.238 4.513 4.350 0.669 0.000 0.267 5179 T C 2.092 176.842 174.700 0.084 0.000 1.049 5179 T CA 1.636 63.791 62.100 0.092 0.000 1.162 5179 T CB -0.796 68.005 68.868 -0.112 0.000 0.863 5179 T HN 0.117 nan 8.240 nan 0.000 0.424 5180 F N 2.991 123.005 119.950 0.107 0.000 2.111 5180 F HA -0.196 4.737 4.527 0.676 0.000 0.300 5180 F C 2.780 178.630 175.800 0.083 0.000 1.088 5180 F CA 1.575 59.618 58.000 0.072 0.000 1.243 5180 F CB -1.009 38.024 39.000 0.055 0.000 0.996 5180 F HN 0.264 nan 8.300 nan 0.000 0.483 5181 N N 0.321 119.200 118.700 0.299 0.000 2.028 5181 N HA -0.256 4.885 4.740 0.669 0.000 0.194 5181 N C 1.993 177.648 175.510 0.242 0.000 1.050 5181 N CA 1.572 54.760 53.050 0.230 0.000 0.848 5181 N CB -0.876 37.734 38.487 0.204 0.000 1.038 5181 N HN 0.227 nan 8.380 nan 0.000 0.423 5182 F N 1.346 121.370 119.950 0.124 0.000 2.141 5182 F HA -0.224 4.709 4.527 0.677 0.000 0.300 5182 F C 2.235 178.115 175.800 0.134 0.000 1.079 5182 F CA 1.453 59.538 58.000 0.142 0.000 1.264 5182 F CB -0.517 38.541 39.000 0.096 0.000 1.011 5182 F HN 0.100 nan 8.300 nan 0.000 0.487 5183 M N 0.029 119.565 119.600 -0.106 0.000 2.226 5183 M HA -0.142 4.739 4.480 0.669 0.000 0.261 5183 M C 2.188 178.449 176.300 -0.065 0.000 1.095 5183 M CA 2.245 57.410 55.300 -0.224 0.000 1.100 5183 M CB -0.741 31.793 32.600 -0.109 0.000 1.240 5183 M HN 0.071 nan 8.290 nan 0.000 0.444 5184 I N -0.247 120.336 120.570 0.023 0.000 2.231 5184 I HA -0.363 4.208 4.170 0.669 0.000 0.251 5184 I C 2.219 178.340 176.117 0.007 0.000 1.076 5184 I CA 1.268 62.586 61.300 0.031 0.000 1.347 5184 I CB -0.966 37.073 38.000 0.065 0.000 1.038 5184 I HN 0.179 nan 8.210 nan 0.000 0.429 5185 V N 0.283 120.216 119.914 0.032 0.000 2.223 5185 V HA -0.302 4.219 4.120 0.669 0.000 0.244 5185 V C 2.227 178.295 176.094 -0.043 0.000 1.045 5185 V CA 2.152 64.451 62.300 -0.002 0.000 1.000 5185 V CB -0.644 31.259 31.823 0.134 0.000 0.635 5185 V HN 0.298 nan 8.190 nan 0.000 0.445 5186 F N 0.567 120.417 119.950 -0.166 0.000 2.024 5186 F HA -0.411 4.522 4.527 0.676 0.000 0.296 5186 F C 2.758 178.482 175.800 -0.126 0.000 1.137 5186 F CA 2.743 60.642 58.000 -0.169 0.000 1.200 5186 F CB -0.602 38.149 39.000 -0.415 0.000 0.954 5186 F HN 0.214 nan 8.300 nan 0.000 0.497 5187 Q N 0.768 120.617 119.800 0.082 0.000 2.084 5187 Q HA -0.340 4.401 4.340 0.669 0.000 0.215 5187 Q C 1.997 177.961 176.000 -0.060 0.000 1.020 5187 Q CA 2.803 58.614 55.803 0.012 0.000 0.887 5187 Q CB -1.168 27.563 28.738 -0.011 0.000 0.975 5187 Q HN 0.481 nan 8.270 nan 0.000 0.413 5188 A N -0.114 122.640 122.820 -0.110 0.000 1.892 5188 A HA -0.248 4.473 4.320 0.669 0.000 0.218 5188 A C 2.008 179.449 177.584 -0.238 0.000 1.188 5188 A CA 2.023 53.958 52.037 -0.171 0.000 0.631 5188 A CB -0.730 18.123 19.000 -0.244 0.000 0.822 5188 A HN 0.636 nan 8.150 nan 0.000 0.447 5189 E N -2.333 117.652 120.200 -0.357 0.000 2.442 5189 E HA -0.000 4.751 4.350 0.669 0.000 0.195 5189 E C 0.860 177.011 176.600 -0.748 0.000 1.030 5189 E CA 0.302 56.393 56.400 -0.515 0.000 0.869 5189 E CB 0.153 29.517 29.700 -0.559 0.000 0.857 5189 E HN 0.734 nan 8.360 nan 0.000 0.505 5190 H N -1.307 117.580 119.070 -0.306 0.000 3.535 5190 H HA 0.127 5.085 4.556 0.670 0.000 0.260 5190 H C 0.383 175.671 175.328 -0.067 0.000 1.173 5190 H CA -0.005 55.903 56.048 -0.233 0.000 1.168 5190 H CB 0.774 30.271 29.762 -0.442 0.000 1.568 5190 H HN 0.040 nan 8.280 nan 0.000 0.602 5191 N N 1.493 120.215 118.700 0.036 0.000 2.708 5191 N HA -0.195 4.946 4.740 0.669 0.000 0.249 5191 N C 1.387 176.956 175.510 0.100 0.000 1.097 5191 N CA 0.447 53.534 53.050 0.062 0.000 0.710 5191 N CB -1.019 37.514 38.487 0.076 0.000 1.032 5191 N HN 0.322 nan 8.380 nan 0.000 0.551 5192 I N 0.761 121.405 120.570 0.123 0.000 2.147 5192 I HA -0.321 4.250 4.170 0.669 0.000 0.245 5192 I C 2.285 178.373 176.117 -0.048 0.000 1.059 5192 I CA 1.479 62.836 61.300 0.096 0.000 1.320 5192 I CB -0.624 37.428 38.000 0.086 0.000 1.021 5192 I HN 0.477 nan 8.210 nan 0.000 0.415 5193 L N -0.465 120.676 121.223 -0.137 0.000 2.189 5193 L HA -0.244 4.497 4.340 0.669 0.000 0.214 5193 L C 1.948 178.833 176.870 0.026 0.000 1.097 5193 L CA 1.223 55.960 54.840 -0.172 0.000 0.764 5193 L CB -0.146 41.858 42.059 -0.091 0.000 0.900 5193 L HN 0.272 nan 8.230 nan 0.000 0.436 5194 M N -1.743 117.927 119.600 0.117 0.000 2.493 5194 M HA 0.098 4.979 4.480 0.669 0.000 0.244 5194 M C 0.075 176.532 176.300 0.260 0.000 1.182 5194 M CA 0.275 55.714 55.300 0.232 0.000 0.981 5194 M CB -0.737 32.035 32.600 0.285 0.000 1.551 5194 M HN 0.060 nan 8.290 nan 0.000 0.476 5195 H N 2.837 121.969 119.070 0.103 0.000 2.552 5195 H HA 0.242 5.201 4.556 0.673 0.000 0.311 5195 H C -1.738 173.664 175.328 0.124 0.000 1.071 5195 H CA -1.704 54.370 56.048 0.043 0.000 1.307 5195 H CB 1.701 31.501 29.762 0.063 0.000 1.416 5195 H HN -0.011 nan 8.280 nan 0.000 0.464 5196 P HA -0.237 nan 4.420 nan 0.000 0.218 5196 P C 1.294 178.759 177.300 0.274 0.000 1.150 5196 P CA 1.152 64.374 63.100 0.203 0.000 0.841 5196 P CB 0.149 31.853 31.700 0.006 0.000 0.784 5197 F N -0.016 120.207 119.950 0.456 0.000 2.053 5197 F HA -0.127 4.807 4.527 0.678 0.000 0.292 5197 F C 2.940 178.815 175.800 0.123 0.000 1.125 5197 F CA 1.076 59.206 58.000 0.217 0.000 1.193 5197 F CB -1.803 37.245 39.000 0.080 0.000 0.996 5197 F HN 0.048 nan 8.300 nan 0.000 0.470 5198 H N 1.045 120.242 119.070 0.213 0.000 2.400 5198 H HA -0.194 4.762 4.556 0.668 0.000 0.295 5198 H C 1.895 177.266 175.328 0.071 0.000 1.118 5198 H CA 2.160 58.243 56.048 0.058 0.000 1.256 5198 H CB -0.085 29.688 29.762 0.019 0.000 1.365 5198 H HN 0.386 nan 8.280 nan 0.000 0.502 5199 Q N 0.588 120.552 119.800 0.272 0.000 1.956 5199 Q HA -0.167 4.574 4.340 0.669 0.000 0.208 5199 Q C 2.794 178.812 176.000 0.029 0.000 0.998 5199 Q CA 1.492 57.397 55.803 0.169 0.000 0.855 5199 Q CB -0.593 28.251 28.738 0.177 0.000 0.928 5199 Q HN 0.501 nan 8.270 nan 0.000 0.418 5200 L N 0.545 121.780 121.223 0.020 0.000 2.450 5200 L HA -0.156 4.585 4.340 0.669 0.000 0.225 5200 L C 2.176 178.971 176.870 -0.125 0.000 1.145 5200 L CA 0.918 55.705 54.840 -0.087 0.000 0.801 5200 L CB -0.907 40.995 42.059 -0.262 0.000 0.924 5200 L HN 0.346 nan 8.230 nan 0.000 0.447 5201 G N -0.470 108.263 108.800 -0.113 0.000 2.518 5201 G HA2 -0.174 4.187 3.960 0.669 0.000 0.213 5201 G HA3 -0.174 4.187 3.960 0.669 0.000 0.213 5201 G C 1.492 176.190 174.900 -0.337 0.000 1.226 5201 G CA 0.545 45.505 45.100 -0.233 0.000 0.822 5201 G HN 0.120 nan 8.290 nan 0.000 0.546 5202 V N 1.732 121.413 119.914 -0.389 0.000 2.660 5202 V HA -0.097 4.424 4.120 0.669 0.000 0.257 5202 V C 2.916 178.940 176.094 -0.116 0.000 1.088 5202 V CA 2.303 64.416 62.300 -0.312 0.000 1.106 5202 V CB -0.770 30.960 31.823 -0.156 0.000 0.686 5202 V HN 0.472 nan 8.190 nan 0.000 0.481 5203 A N 0.331 123.072 122.820 -0.132 0.000 1.829 5203 A HA -0.038 4.683 4.320 0.669 0.000 0.216 5203 A C 2.429 179.827 177.584 -0.309 0.000 1.207 5203 A CA 2.056 54.028 52.037 -0.109 0.000 0.622 5203 A CB -1.717 17.215 19.000 -0.114 0.000 0.846 5203 A HN 0.637 nan 8.150 nan 0.000 0.447 5204 G N -0.860 107.512 108.800 -0.713 0.000 2.480 5204 G HA2 -0.185 4.176 3.960 0.669 0.000 0.216 5204 G HA3 -0.185 4.176 3.960 0.669 0.000 0.216 5204 G C 1.669 176.197 174.900 -0.620 0.000 1.200 5204 G CA 1.923 46.359 45.100 -1.106 0.000 0.782 5204 G HN 0.934 nan 8.290 nan 0.000 0.554 5205 V N 0.158 119.791 119.914 -0.469 0.000 2.252 5205 V HA -0.292 4.230 4.120 0.669 0.000 0.255 5205 V C 2.450 178.373 176.094 -0.285 0.000 1.071 5205 V CA 2.716 64.788 62.300 -0.380 0.000 1.050 5205 V CB -0.565 31.009 31.823 -0.415 0.000 0.654 5205 V HN 0.424 nan 8.190 nan 0.000 0.448 5206 F N 0.696 120.479 119.950 -0.278 0.000 2.102 5206 F HA -0.024 4.907 4.527 0.674 0.000 0.298 5206 F C 2.401 178.046 175.800 -0.259 0.000 1.105 5206 F CA 1.360 59.235 58.000 -0.208 0.000 1.239 5206 F CB -0.794 38.113 39.000 -0.155 0.000 0.991 5206 F HN 0.373 nan 8.300 nan 0.000 0.474 5207 G N -0.204 108.494 108.800 -0.171 0.000 2.604 5207 G HA2 -0.248 4.113 3.960 0.669 0.000 0.216 5207 G HA3 -0.248 4.113 3.960 0.669 0.000 0.216 5207 G C 1.910 176.421 174.900 -0.648 0.000 1.265 5207 G CA 0.837 45.622 45.100 -0.525 0.000 0.804 5207 G HN 0.481 nan 8.290 nan 0.000 0.579 5208 G N 1.203 109.675 108.800 -0.547 0.000 2.597 5208 G HA2 -0.102 4.259 3.960 0.669 0.000 0.222 5208 G HA3 -0.102 4.259 3.960 0.669 0.000 0.222 5208 G C 2.013 176.834 174.900 -0.132 0.000 1.135 5208 G CA 1.868 46.789 45.100 -0.300 0.000 0.759 5208 G HN 0.874 nan 8.290 nan 0.000 0.595 5209 A N -0.206 122.540 122.820 -0.124 0.000 2.121 5209 A HA 0.261 4.983 4.320 0.669 0.000 0.218 5209 A C 2.287 179.885 177.584 0.024 0.000 1.154 5209 A CA 1.391 53.405 52.037 -0.038 0.000 0.679 5209 A CB -0.178 18.805 19.000 -0.028 0.000 0.795 5209 A HN 0.510 nan 8.150 nan 0.000 0.458 5210 L N -2.633 118.607 121.223 0.028 0.000 2.357 5210 L HA 0.211 4.952 4.340 0.669 0.000 0.211 5210 L C 2.123 179.168 176.870 0.293 0.000 1.075 5210 L CA 0.703 55.621 54.840 0.130 0.000 0.830 5210 L CB -0.124 42.014 42.059 0.130 0.000 0.996 5210 L HN 0.429 nan 8.230 nan 0.000 0.467 5211 F N -1.183 118.744 119.950 -0.039 0.000 2.234 5211 F HA -0.212 4.717 4.527 0.670 0.000 0.296 5211 F C 2.783 178.555 175.800 -0.047 0.000 1.089 5211 F CA 0.465 58.416 58.000 -0.080 0.000 1.343 5211 F CB -0.371 38.537 39.000 -0.152 0.000 1.040 5211 F HN 0.272 nan 8.300 nan 0.000 0.498 5212 C N 0.684 120.084 119.300 0.167 0.000 2.411 5212 C HA -0.123 4.738 4.460 0.669 0.000 0.279 5212 C C 2.858 177.876 174.990 0.045 0.000 1.288 5212 C CA 1.436 60.503 59.018 0.081 0.000 1.764 5212 C CB -1.249 26.509 27.740 0.030 0.000 1.974 5212 C HN 0.439 nan 8.230 nan 0.000 0.498 5213 A N -1.142 121.709 122.820 0.051 0.000 2.044 5213 A HA 0.136 4.857 4.320 0.669 0.000 0.213 5213 A C 1.909 179.489 177.584 -0.006 0.000 1.169 5213 A CA 1.168 53.215 52.037 0.015 0.000 0.724 5213 A CB -0.535 18.479 19.000 0.024 0.000 0.840 5213 A HN 0.561 nan 8.150 nan 0.000 0.463 5214 M N -0.942 118.664 119.600 0.011 0.000 2.074 5214 M HA -0.081 4.800 4.480 0.669 0.000 0.259 5214 M C 2.052 178.292 176.300 -0.100 0.000 1.079 5214 M CA 2.218 57.465 55.300 -0.088 0.000 1.119 5214 M CB -0.638 31.867 32.600 -0.158 0.000 1.297 5214 M HN 0.544 nan 8.290 nan 0.000 0.416 5215 H N -0.345 118.612 119.070 -0.189 0.000 2.387 5215 H HA -0.003 4.953 4.556 0.668 0.000 0.299 5215 H C 1.845 177.076 175.328 -0.162 0.000 1.099 5215 H CA 1.953 57.885 56.048 -0.193 0.000 1.315 5215 H CB -0.889 28.792 29.762 -0.135 0.000 1.380 5215 H HN 0.513 nan 8.280 nan 0.000 0.513 5216 G N -1.042 107.676 108.800 -0.136 0.000 2.432 5216 G HA2 -0.260 4.101 3.960 0.669 0.000 0.219 5216 G HA3 -0.260 4.101 3.960 0.669 0.000 0.219 5216 G C 2.020 176.819 174.900 -0.168 0.000 1.135 5216 G CA 1.041 46.024 45.100 -0.195 0.000 0.767 5216 G HN 0.520 nan 8.290 nan 0.000 0.550 5217 S N -0.156 115.468 115.700 -0.127 0.000 2.338 5217 S HA -0.020 4.851 4.470 0.669 0.000 0.218 5217 S C 2.378 176.891 174.600 -0.145 0.000 1.032 5217 S CA 0.781 58.910 58.200 -0.119 0.000 0.999 5217 S CB -0.315 62.827 63.200 -0.098 0.000 0.905 5217 S HN 0.147 nan 8.310 nan 0.000 0.439 5218 L N 1.700 122.828 121.223 -0.158 0.000 1.971 5218 L HA -0.105 4.637 4.340 0.669 0.000 0.215 5218 L C 2.652 179.449 176.870 -0.120 0.000 1.072 5218 L CA 1.748 56.504 54.840 -0.142 0.000 0.758 5218 L CB -1.717 40.269 42.059 -0.122 0.000 0.889 5218 L HN 0.279 nan 8.230 nan 0.000 0.433 5219 V N -0.446 119.356 119.914 -0.187 0.000 2.231 5219 V HA -0.371 4.150 4.120 0.669 0.000 0.250 5219 V C 2.647 178.627 176.094 -0.189 0.000 1.058 5219 V CA 2.580 64.703 62.300 -0.296 0.000 1.022 5219 V CB -1.018 30.436 31.823 -0.616 0.000 0.640 5219 V HN 0.516 nan 8.190 nan 0.000 0.445 5220 T N -0.120 114.322 114.554 -0.187 0.000 2.977 5220 T HA -0.140 4.611 4.350 0.669 0.000 0.271 5220 T C 1.885 176.530 174.700 -0.090 0.000 1.105 5220 T CA 1.714 63.739 62.100 -0.125 0.000 1.116 5220 T CB -0.344 68.454 68.868 -0.117 0.000 0.878 5220 T HN 0.778 nan 8.240 nan 0.000 0.509 5221 S N 0.313 115.949 115.700 -0.107 0.000 2.470 5221 S HA 0.032 4.904 4.470 0.669 0.000 0.225 5221 S C 1.739 176.289 174.600 -0.084 0.000 1.006 5221 S CA 0.738 58.868 58.200 -0.117 0.000 0.934 5221 S CB -0.102 62.981 63.200 -0.194 0.000 0.778 5221 S HN 0.540 nan 8.310 nan 0.000 0.517 5222 S N 0.799 116.481 115.700 -0.030 0.000 2.741 5222 S HA 0.379 5.250 4.470 0.669 0.000 0.247 5222 S C 1.152 175.801 174.600 0.082 0.000 1.050 5222 S CA -0.609 57.611 58.200 0.032 0.000 1.025 5222 S CB -0.059 63.190 63.200 0.081 0.000 0.897 5222 S HN 0.223 nan 8.310 nan 0.000 0.508 5223 L N 1.379 122.630 121.223 0.046 0.000 2.010 5223 L HA 0.008 4.749 4.340 0.669 0.000 0.219 5223 L C 1.093 178.025 176.870 0.105 0.000 1.077 5223 L CA 2.096 56.977 54.840 0.067 0.000 0.773 5223 L CB -0.849 41.224 42.059 0.022 0.000 0.892 5223 L HN 0.673 nan 8.230 nan 0.000 0.436 5224 I N -3.029 117.587 120.570 0.077 0.000 1.557 5224 I HA -0.189 4.383 4.170 0.669 0.000 0.310 5224 I C 0.023 176.178 176.117 0.064 0.000 3.208 5224 I CA -0.457 60.889 61.300 0.077 0.000 1.060 5224 I CB 0.013 38.073 38.000 0.100 0.000 2.592 5224 I HN 0.286 nan 8.210 nan 0.000 0.697 5225 R N 2.502 123.037 120.500 0.058 0.000 2.404 5225 R HA 0.609 5.351 4.340 0.669 0.000 0.291 5225 R C -0.746 175.589 176.300 0.058 0.000 1.025 5225 R CA 0.299 56.430 56.100 0.051 0.000 0.991 5225 R CB 0.809 31.133 30.300 0.040 0.000 1.053 5225 R HN 0.506 nan 8.270 nan 0.000 0.479 5226 E N 1.384 121.618 120.200 0.058 0.000 2.296 5226 E HA 0.099 4.850 4.350 0.669 0.000 0.208 5226 E C -1.818 174.824 176.600 0.071 0.000 1.170 5226 E CA 0.252 56.689 56.400 0.062 0.000 0.475 5226 E CB -0.493 29.253 29.700 0.076 0.000 0.893 5226 E HN 0.765 nan 8.360 nan 0.000 0.435 5227 T N -1.274 113.316 114.554 0.059 0.000 2.678 5227 T HA 0.413 5.164 4.350 0.669 0.000 0.298 5227 T C -0.661 174.067 174.700 0.047 0.000 1.875 5227 T CA 0.202 62.340 62.100 0.064 0.000 0.981 5227 T CB 0.772 69.683 68.868 0.072 0.000 1.953 5227 T HN 0.037 nan 8.240 nan 0.000 0.510 5228 T N 0.833 115.415 114.554 0.047 0.000 2.849 5228 T HA 0.512 5.263 4.350 0.669 0.000 0.272 5228 T C 0.836 175.555 174.700 0.031 0.000 1.046 5228 T CA -0.512 61.610 62.100 0.035 0.000 0.983 5228 T CB 0.778 69.667 68.868 0.035 0.000 1.721 5228 T HN 0.684 nan 8.240 nan 0.000 0.594 5229 E N 0.124 120.338 120.200 0.024 0.000 2.413 5229 E HA 0.033 4.784 4.350 0.669 0.000 0.203 5229 E C 2.121 178.730 176.600 0.015 0.000 0.957 5229 E CA 0.529 56.940 56.400 0.017 0.000 0.950 5229 E CB 0.128 29.836 29.700 0.013 0.000 0.957 5229 E HN 0.673 nan 8.360 nan 0.000 0.497 5230 T N -0.429 114.137 114.554 0.020 0.000 2.896 5230 T HA -0.031 4.721 4.350 0.669 0.000 0.263 5230 T C 0.831 175.545 174.700 0.024 0.000 1.050 5230 T CA 0.347 62.459 62.100 0.019 0.000 1.140 5230 T CB -0.059 68.822 68.868 0.023 0.000 0.877 5230 T HN -0.054 nan 8.240 nan 0.000 0.457 5231 E N 2.242 122.467 120.200 0.042 0.000 2.392 5231 E HA 0.316 5.067 4.350 0.669 0.000 0.256 5231 E C -0.146 176.475 176.600 0.034 0.000 1.145 5231 E CA -0.213 56.227 56.400 0.067 0.000 0.929 5231 E CB 0.684 30.447 29.700 0.105 0.000 0.998 5231 E HN 0.548 nan 8.360 nan 0.000 0.442 5232 S N 0.464 116.169 115.700 0.008 0.000 2.416 5232 S HA 0.326 5.197 4.470 0.669 0.000 0.287 5232 S C 0.873 175.481 174.600 0.013 0.000 1.139 5232 S CA -0.351 57.812 58.200 -0.061 0.000 1.058 5232 S CB 1.487 64.540 63.200 -0.245 0.000 0.967 5232 S HN 0.624 nan 8.310 nan 0.000 0.495 5233 A N 4.004 126.834 122.820 0.018 0.000 1.997 5233 A HA -0.236 4.485 4.320 0.669 0.000 0.221 5233 A C 2.006 179.630 177.584 0.066 0.000 1.172 5233 A CA 2.096 54.160 52.037 0.045 0.000 0.645 5233 A CB -1.203 17.810 19.000 0.022 0.000 0.813 5233 A HN 0.887 nan 8.150 nan 0.000 0.454 5234 N N -1.970 116.748 118.700 0.029 0.000 2.289 5234 N HA -0.163 4.979 4.740 0.669 0.000 0.184 5234 N C 1.411 177.020 175.510 0.165 0.000 1.016 5234 N CA 1.080 54.155 53.050 0.040 0.000 0.872 5234 N CB -0.231 38.237 38.487 -0.033 0.000 0.973 5234 N HN 0.525 nan 8.380 nan 0.000 0.433 5235 Y N 0.687 121.018 120.300 0.051 0.000 2.333 5235 Y HA 0.058 5.009 4.550 0.668 0.000 0.290 5235 Y C 1.663 177.624 175.900 0.102 0.000 1.144 5235 Y CA 0.327 58.469 58.100 0.070 0.000 1.228 5235 Y CB -0.843 37.646 38.460 0.048 0.000 0.985 5235 Y HN -0.065 nan 8.280 nan 0.000 0.542 5236 G N -0.476 108.477 108.800 0.254 0.000 2.843 5236 G HA2 0.177 4.539 3.960 0.669 0.000 0.275 5236 G HA3 0.177 4.539 3.960 0.669 0.000 0.275 5236 G C -1.102 173.962 174.900 0.274 0.000 0.709 5236 G CA 0.455 45.670 45.100 0.192 0.000 2.089 5236 G HN 0.350 nan 8.290 nan 0.000 0.571 5237 Y N -0.784 119.560 120.300 0.074 0.000 2.673 5237 Y HA 0.358 5.310 4.550 0.669 0.000 0.357 5237 Y C -1.475 174.464 175.900 0.064 0.000 1.211 5237 Y CA -1.179 56.962 58.100 0.069 0.000 1.307 5237 Y CB 0.936 39.450 38.460 0.089 0.000 1.384 5237 Y HN 0.186 nan 8.280 nan 0.000 0.499 5238 K N 4.799 124.892 120.400 -0.512 0.000 2.378 5238 K HA 0.365 5.087 4.320 0.669 0.000 0.252 5238 K C -1.402 175.006 176.600 -0.321 0.000 0.931 5238 K CA -0.992 55.151 56.287 -0.241 0.000 0.794 5238 K CB 2.277 34.657 32.500 -0.200 0.000 1.181 5238 K HN 0.560 nan 8.250 nan 0.000 0.425 5239 F N 1.351 121.275 119.950 -0.043 0.000 2.607 5239 F HA 0.132 5.060 4.527 0.668 0.000 0.374 5239 F C 1.179 176.946 175.800 -0.056 0.000 1.104 5239 F CA 1.709 59.743 58.000 0.056 0.000 1.296 5239 F CB 0.438 39.486 39.000 0.080 0.000 1.085 5239 F HN 0.856 nan 8.300 nan 0.000 0.584 5240 G N 3.787 112.079 108.800 -0.847 0.000 2.171 5240 G HA2 -0.306 4.056 3.960 0.669 0.000 0.238 5240 G HA3 -0.306 4.056 3.960 0.669 0.000 0.238 5240 G C -0.161 174.510 174.900 -0.382 0.000 1.039 5240 G CA 0.064 44.758 45.100 -0.676 0.000 0.759 5240 G HN 0.910 nan 8.290 nan 0.000 0.501 5241 Q N -0.219 119.343 119.800 -0.397 0.000 2.454 5241 Q HA 0.522 5.263 4.340 0.669 0.000 0.247 5241 Q C 1.484 177.379 176.000 -0.175 0.000 1.028 5241 Q CA 0.967 56.562 55.803 -0.347 0.000 0.910 5241 Q CB 0.408 28.846 28.738 -0.500 0.000 1.276 5241 Q HN 0.573 nan 8.270 nan 0.000 0.489 5242 E N 0.787 120.912 120.200 -0.125 0.000 2.201 5242 E HA 0.037 4.789 4.350 0.669 0.000 0.193 5242 E C -0.528 176.048 176.600 -0.040 0.000 0.957 5242 E CA 0.430 56.782 56.400 -0.079 0.000 0.858 5242 E CB 0.397 30.054 29.700 -0.071 0.000 0.816 5242 E HN 0.538 nan 8.360 nan 0.000 0.475 5243 E N 1.424 121.606 120.200 -0.029 0.000 2.183 5243 E HA 0.247 4.998 4.350 0.669 0.000 0.271 5243 E C -0.956 175.674 176.600 0.051 0.000 0.919 5243 E CA -0.510 55.889 56.400 -0.002 0.000 0.781 5243 E CB 1.253 30.947 29.700 -0.010 0.000 1.140 5243 E HN 0.004 nan 8.360 nan 0.000 0.402 5244 E N 0.782 121.012 120.200 0.049 0.000 2.436 5244 E HA -0.061 4.690 4.350 0.669 0.000 0.262 5244 E C 0.480 177.183 176.600 0.171 0.000 1.063 5244 E CA 0.265 56.738 56.400 0.121 0.000 0.944 5244 E CB 0.497 30.133 29.700 -0.106 0.000 0.950 5244 E HN 0.515 nan 8.360 nan 0.000 0.444 5245 T N 1.058 115.830 114.554 0.362 0.000 2.942 5245 T HA -0.072 4.679 4.350 0.669 0.000 0.265 5245 T C 0.170 175.052 174.700 0.303 0.000 1.062 5245 T CA 0.692 62.997 62.100 0.341 0.000 1.139 5245 T CB -0.059 69.023 68.868 0.357 0.000 0.883 5245 T HN 0.393 nan 8.240 nan 0.000 0.468 5246 Y N 0.969 121.315 120.300 0.078 0.000 2.314 5246 Y HA 0.528 5.479 4.550 0.669 0.000 0.334 5246 Y C 0.449 176.391 175.900 0.070 0.000 1.266 5246 Y CA -2.542 55.595 58.100 0.061 0.000 1.391 5246 Y CB -0.096 38.394 38.460 0.049 0.000 1.306 5246 Y HN -0.155 nan 8.280 nan 0.000 0.558 5247 N N 2.892 121.682 118.700 0.149 0.000 3.228 5247 N HA 0.122 5.263 4.740 0.669 0.000 0.289 5247 N C 1.037 176.601 175.510 0.091 0.000 1.419 5247 N CA -0.109 52.983 53.050 0.070 0.000 1.088 5247 N CB -0.323 38.209 38.487 0.075 0.000 1.357 5247 N HN 0.930 nan 8.380 nan 0.000 0.504 5248 I N -1.801 118.798 120.570 0.048 0.000 2.191 5248 I HA -0.369 4.202 4.170 0.669 0.000 0.248 5248 I C 1.583 177.789 176.117 0.149 0.000 1.061 5248 I CA 1.336 62.705 61.300 0.115 0.000 1.329 5248 I CB -0.740 37.284 38.000 0.040 0.000 1.024 5248 I HN 0.006 nan 8.210 nan 0.000 0.423 5249 V N 1.597 121.570 119.914 0.097 0.000 2.343 5249 V HA -0.248 4.273 4.120 0.669 0.000 0.247 5249 V C 2.898 179.061 176.094 0.114 0.000 1.051 5249 V CA 2.229 64.584 62.300 0.091 0.000 1.036 5249 V CB -0.915 30.934 31.823 0.045 0.000 0.654 5249 V HN 0.666 nan 8.190 nan 0.000 0.451 5250 A N -1.043 121.843 122.820 0.109 0.000 2.235 5250 A HA 0.288 5.009 4.320 0.669 0.000 0.208 5250 A C 2.128 179.812 177.584 0.167 0.000 1.172 5250 A CA 1.371 53.480 52.037 0.118 0.000 0.786 5250 A CB -0.309 18.743 19.000 0.088 0.000 0.804 5250 A HN 0.535 nan 8.150 nan 0.000 0.479 5251 A N -1.225 121.715 122.820 0.200 0.000 1.881 5251 A HA 0.050 4.771 4.320 0.669 0.000 0.210 5251 A C 1.906 179.714 177.584 0.373 0.000 1.239 5251 A CA 1.156 53.337 52.037 0.241 0.000 0.629 5251 A CB -0.832 18.299 19.000 0.219 0.000 0.906 5251 A HN 0.682 nan 8.150 nan 0.000 0.460 5252 H N -0.470 118.733 119.070 0.221 0.000 2.353 5252 H HA -0.088 4.870 4.556 0.669 0.000 0.300 5252 H C 2.083 177.517 175.328 0.176 0.000 1.090 5252 H CA 0.934 57.116 56.048 0.224 0.000 1.327 5252 H CB -0.131 29.723 29.762 0.153 0.000 1.383 5252 H HN 0.457 nan 8.280 nan 0.000 0.508 5253 G N -0.768 108.192 108.800 0.266 0.000 2.516 5253 G HA2 -0.327 4.034 3.960 0.669 0.000 0.221 5253 G HA3 -0.327 4.034 3.960 0.669 0.000 0.221 5253 G C 1.304 176.323 174.900 0.199 0.000 1.107 5253 G CA 1.173 46.355 45.100 0.138 0.000 0.747 5253 G HN 0.590 nan 8.290 nan 0.000 0.567 5254 Y N -0.647 119.749 120.300 0.160 0.000 2.333 5254 Y HA 0.329 5.280 4.550 0.668 0.000 0.287 5254 Y C 2.186 178.204 175.900 0.198 0.000 1.149 5254 Y CA 0.359 58.549 58.100 0.150 0.000 1.193 5254 Y CB -0.536 38.012 38.460 0.147 0.000 1.175 5254 Y HN 0.033 nan 8.280 nan 0.000 0.518 5255 F N 1.625 121.776 119.950 0.335 0.000 2.065 5255 F HA -0.061 4.867 4.527 0.669 0.000 0.298 5255 F C 2.361 178.158 175.800 -0.005 0.000 1.112 5255 F CA 2.106 60.172 58.000 0.111 0.000 1.212 5255 F CB -1.029 38.103 39.000 0.220 0.000 0.975 5255 F HN 0.205 nan 8.300 nan 0.000 0.476 5256 G N -0.027 108.833 108.800 0.101 0.000 2.529 5256 G HA2 -0.415 3.946 3.960 0.669 0.000 0.219 5256 G HA3 -0.415 3.946 3.960 0.669 0.000 0.219 5256 G C 1.868 176.695 174.900 -0.121 0.000 1.177 5256 G CA 1.210 46.322 45.100 0.020 0.000 0.773 5256 G HN 0.397 nan 8.290 nan 0.000 0.573 5257 R N -0.434 120.007 120.500 -0.098 0.000 2.097 5257 R HA -0.044 4.697 4.340 0.669 0.000 0.236 5257 R C 1.247 177.429 176.300 -0.198 0.000 1.135 5257 R CA 0.631 56.651 56.100 -0.133 0.000 0.934 5257 R CB -0.769 29.459 30.300 -0.119 0.000 0.846 5257 R HN 0.297 nan 8.270 nan 0.000 0.431 5258 L N 3.040 124.063 121.223 -0.335 0.000 2.838 5258 L HA 0.016 4.757 4.340 0.669 0.000 0.287 5258 L C -0.827 175.898 176.870 -0.241 0.000 1.124 5258 L CA 0.636 55.288 54.840 -0.314 0.000 1.091 5258 L CB -1.132 40.679 42.059 -0.413 0.000 1.448 5258 L HN 0.368 nan 8.230 nan 0.000 0.455 5259 I N 2.385 122.881 120.570 -0.123 0.000 8.033 5259 I HA -0.260 4.311 4.170 0.669 0.000 0.126 5259 I C 0.269 176.438 176.117 0.087 0.000 1.834 5259 I CA 1.221 62.506 61.300 -0.025 0.000 2.071 5259 I CB -2.459 35.528 38.000 -0.021 0.000 3.728 5259 I HN 0.694 nan 8.210 nan 0.000 0.180 5260 F N 1.969 121.865 119.950 -0.090 0.000 2.300 5260 F HA -0.363 4.565 4.527 0.669 0.000 0.598 5260 F C 1.852 177.690 175.800 0.063 0.000 0.502 5260 F CA 2.896 60.882 58.000 -0.023 0.000 1.483 5260 F CB -1.458 37.521 39.000 -0.036 0.000 2.250 5260 F HN 1.007 nan 8.300 nan 0.000 0.255 5261 Q N -2.254 117.589 119.800 0.071 0.000 2.454 5261 Q HA -0.368 4.374 4.340 0.669 0.000 0.167 5261 Q C 0.879 176.913 176.000 0.057 0.000 2.377 5261 Q CA 2.489 58.307 55.803 0.025 0.000 0.877 5261 Q CB -1.633 27.095 28.738 -0.017 0.000 0.837 5261 Q HN 0.734 nan 8.270 nan 0.000 0.783 5262 Y N -1.475 118.928 120.300 0.171 0.000 2.462 5262 Y HA 0.488 5.439 4.550 0.668 0.000 0.261 5262 Y C 1.605 177.662 175.900 0.262 0.000 1.146 5262 Y CA 0.321 58.566 58.100 0.242 0.000 1.283 5262 Y CB 0.754 39.338 38.460 0.207 0.000 1.090 5262 Y HN 0.298 nan 8.280 nan 0.000 0.526 5263 A N -0.582 122.441 122.820 0.337 0.000 2.359 5263 A HA 0.254 4.975 4.320 0.669 0.000 0.240 5263 A C 0.744 178.291 177.584 -0.062 0.000 1.306 5263 A CA 0.256 52.343 52.037 0.084 0.000 0.898 5263 A CB -0.310 18.646 19.000 -0.073 0.000 0.956 5263 A HN 0.142 nan 8.150 nan 0.000 0.497 5264 S N -1.053 114.664 115.700 0.028 0.000 2.648 5264 S HA 0.787 5.658 4.470 0.669 0.000 0.305 5264 S C -0.886 173.735 174.600 0.034 0.000 1.094 5264 S CA -0.517 57.611 58.200 -0.121 0.000 0.983 5264 S CB 0.741 63.801 63.200 -0.234 0.000 1.101 5264 S HN 0.294 nan 8.310 nan 0.000 0.514 5265 F N 3.027 122.722 119.950 -0.425 0.000 2.427 5265 F HA 0.354 5.282 4.527 0.667 0.000 0.346 5265 F C 1.372 177.005 175.800 -0.278 0.000 1.120 5265 F CA -0.953 56.884 58.000 -0.272 0.000 1.033 5265 F CB 1.456 40.390 39.000 -0.111 0.000 1.126 5265 F HN 0.725 nan 8.300 nan 0.000 0.462 5266 N N 2.138 120.994 118.700 0.261 0.000 2.348 5266 N HA -0.075 5.066 4.740 0.669 0.000 0.183 5266 N C -0.038 175.572 175.510 0.166 0.000 1.094 5266 N CA 0.133 53.420 53.050 0.396 0.000 0.885 5266 N CB -0.142 38.577 38.487 0.387 0.000 1.065 5266 N HN 0.548 nan 8.380 nan 0.000 0.472 5267 N N 1.421 120.160 118.700 0.065 0.000 3.103 5267 N HA 0.114 5.255 4.740 0.669 0.000 0.305 5267 N C 0.219 175.745 175.510 0.027 0.000 1.232 5267 N CA -0.223 52.823 53.050 -0.007 0.000 1.190 5267 N CB 0.123 38.529 38.487 -0.134 0.000 1.461 5267 N HN 0.079 nan 8.380 nan 0.000 0.538 5268 S N 1.246 117.012 115.700 0.110 0.000 2.422 5268 S HA -0.250 4.621 4.470 0.669 0.000 0.241 5268 S C 1.834 176.615 174.600 0.301 0.000 1.076 5268 S CA 1.409 59.723 58.200 0.190 0.000 1.066 5268 S CB -0.020 63.354 63.200 0.290 0.000 0.890 5268 S HN 0.616 nan 8.310 nan 0.000 0.465 5269 R N 0.566 121.201 120.500 0.224 0.000 2.092 5269 R HA -0.064 4.677 4.340 0.669 0.000 0.231 5269 R C 2.809 179.256 176.300 0.245 0.000 1.119 5269 R CA 1.631 57.878 56.100 0.245 0.000 0.970 5269 R CB -0.589 29.788 30.300 0.130 0.000 0.864 5269 R HN 0.627 nan 8.270 nan 0.000 0.440 5270 S N 1.889 117.632 115.700 0.073 0.000 2.345 5270 S HA -0.136 4.736 4.470 0.669 0.000 0.219 5270 S C 2.184 176.885 174.600 0.167 0.000 1.031 5270 S CA 1.090 59.275 58.200 -0.024 0.000 0.984 5270 S CB -0.587 62.369 63.200 -0.407 0.000 0.874 5270 S HN 0.306 nan 8.310 nan 0.000 0.451 5271 L N 1.841 123.138 121.223 0.123 0.000 1.943 5271 L HA -0.045 4.696 4.340 0.669 0.000 0.215 5271 L C 2.240 179.278 176.870 0.280 0.000 1.074 5271 L CA 2.432 57.526 54.840 0.424 0.000 0.759 5271 L CB -2.055 40.131 42.059 0.212 0.000 0.888 5271 L HN 0.299 nan 8.230 nan 0.000 0.433 5272 H N -1.439 117.766 119.070 0.225 0.000 2.444 5272 H HA -0.249 4.708 4.556 0.668 0.000 0.294 5272 H C 1.806 177.335 175.328 0.335 0.000 1.125 5272 H CA 2.476 58.685 56.048 0.269 0.000 1.230 5272 H CB -0.452 29.495 29.762 0.308 0.000 1.361 5272 H HN 0.558 nan 8.280 nan 0.000 0.508 5273 F N 0.029 120.203 119.950 0.373 0.000 2.128 5273 F HA -0.162 4.768 4.527 0.672 0.000 0.295 5273 F C 2.219 178.221 175.800 0.336 0.000 1.100 5273 F CA 0.687 58.887 58.000 0.334 0.000 1.260 5273 F CB -0.404 38.790 39.000 0.323 0.000 1.009 5273 F HN 0.088 nan 8.300 nan 0.000 0.476 5274 F N 1.716 121.868 119.950 0.337 0.000 2.154 5274 F HA -0.230 4.699 4.527 0.669 0.000 0.301 5274 F C 1.820 177.716 175.800 0.161 0.000 1.087 5274 F CA 1.611 59.761 58.000 0.252 0.000 1.274 5274 F CB -1.015 38.256 39.000 0.451 0.000 1.009 5274 F HN 0.047 nan 8.300 nan 0.000 0.485 5275 L N -0.459 120.879 121.223 0.193 0.000 2.046 5275 L HA -0.154 4.588 4.340 0.669 0.000 0.208 5275 L C 2.752 179.637 176.870 0.025 0.000 1.077 5275 L CA 1.100 55.998 54.840 0.095 0.000 0.747 5275 L CB -1.671 40.481 42.059 0.154 0.000 0.896 5275 L HN 0.155 nan 8.230 nan 0.000 0.432 5276 A N 0.832 123.625 122.820 -0.045 0.000 1.827 5276 A HA -0.166 4.555 4.320 0.669 0.000 0.215 5276 A C 2.597 180.020 177.584 -0.268 0.000 1.212 5276 A CA 1.933 53.860 52.037 -0.183 0.000 0.624 5276 A CB -1.192 17.628 19.000 -0.300 0.000 0.853 5276 A HN 0.346 nan 8.150 nan 0.000 0.450 5277 A N -1.858 120.691 122.820 -0.452 0.000 1.958 5277 A HA -0.253 4.469 4.320 0.669 0.000 0.221 5277 A C 2.130 179.768 177.584 0.090 0.000 1.178 5277 A CA 1.607 53.463 52.037 -0.300 0.000 0.642 5277 A CB -1.124 17.621 19.000 -0.425 0.000 0.816 5277 A HN 0.822 nan 8.150 nan 0.000 0.453 5278 W N 0.067 121.314 121.300 -0.088 0.000 2.322 5278 W HA -0.320 4.745 4.660 0.674 0.000 0.326 5278 W C 2.656 179.080 176.519 -0.157 0.000 1.224 5278 W CA 1.775 59.092 57.345 -0.048 0.000 1.257 5278 W CB -0.183 29.196 29.460 -0.134 0.000 1.174 5278 W HN 0.394 nan 8.180 nan 0.000 0.460 5279 R N 0.588 120.958 120.500 -0.217 0.000 2.112 5279 R HA -0.245 4.496 4.340 0.669 0.000 0.242 5279 R C 1.726 177.777 176.300 -0.414 0.000 1.137 5279 R CA 2.937 58.802 56.100 -0.391 0.000 0.944 5279 R CB -1.198 28.931 30.300 -0.285 0.000 0.857 5279 R HN 0.159 nan 8.270 nan 0.000 0.435 5280 V N -0.191 119.472 119.914 -0.417 0.000 2.594 5280 V HA -0.172 4.349 4.120 0.669 0.000 0.253 5280 V C 2.221 177.763 176.094 -0.920 0.000 1.069 5280 V CA 1.580 63.470 62.300 -0.684 0.000 1.082 5280 V CB -0.254 31.145 31.823 -0.707 0.000 0.680 5280 V HN 0.248 nan 8.190 nan 0.000 0.469 5281 V N 0.573 120.223 119.914 -0.440 0.000 2.426 5281 V HA 0.036 4.557 4.120 0.669 0.000 0.242 5281 V C 2.586 178.740 176.094 0.100 0.000 1.036 5281 V CA 1.802 64.056 62.300 -0.077 0.000 1.044 5281 V CB -0.760 31.263 31.823 0.334 0.000 0.688 5281 V HN 0.546 nan 8.190 nan 0.000 0.462 5282 G N 0.056 108.801 108.800 -0.092 0.000 2.459 5282 G HA2 -0.239 4.122 3.960 0.669 0.000 0.217 5282 G HA3 -0.239 4.122 3.960 0.669 0.000 0.217 5282 G C 1.713 176.607 174.900 -0.010 0.000 1.183 5282 G CA 1.344 46.414 45.100 -0.050 0.000 0.776 5282 G HN 0.327 nan 8.290 nan 0.000 0.552 5283 V N -0.319 119.459 119.914 -0.225 0.000 2.370 5283 V HA -0.220 4.301 4.120 0.669 0.000 0.252 5283 V C 2.582 178.618 176.094 -0.097 0.000 1.068 5283 V CA 1.852 64.016 62.300 -0.227 0.000 1.061 5283 V CB -0.512 31.114 31.823 -0.328 0.000 0.656 5283 V HN 0.495 nan 8.190 nan 0.000 0.455 5284 W N -0.214 120.958 121.300 -0.212 0.000 2.353 5284 W HA -0.103 4.948 4.660 0.652 0.000 0.319 5284 W C 2.492 178.813 176.519 -0.331 0.000 1.207 5284 W CA 1.088 58.254 57.345 -0.298 0.000 1.291 5284 W CB -1.614 27.617 29.460 -0.382 0.000 1.159 5284 W HN 0.294 nan 8.180 nan 0.000 0.478 5285 F N 0.674 120.680 119.950 0.093 0.000 2.063 5285 F HA -0.335 4.595 4.527 0.671 0.000 0.298 5285 F C 2.613 178.154 175.800 -0.432 0.000 1.105 5285 F CA 2.413 60.376 58.000 -0.061 0.000 1.215 5285 F CB -1.414 37.800 39.000 0.357 0.000 0.972 5285 F HN -0.131 nan 8.300 nan 0.000 0.483 5286 A N 0.218 123.029 122.820 -0.016 0.000 1.859 5286 A HA -0.204 4.517 4.320 0.669 0.000 0.217 5286 A C 2.408 179.832 177.584 -0.267 0.000 1.198 5286 A CA 2.289 54.229 52.037 -0.163 0.000 0.629 5286 A CB -1.542 17.348 19.000 -0.184 0.000 0.830 5286 A HN 0.369 nan 8.150 nan 0.000 0.446 5287 A N -0.699 121.994 122.820 -0.212 0.000 1.997 5287 A HA -0.125 4.596 4.320 0.669 0.000 0.221 5287 A C 2.150 179.564 177.584 -0.283 0.000 1.172 5287 A CA 1.806 53.719 52.037 -0.207 0.000 0.645 5287 A CB -0.631 18.299 19.000 -0.117 0.000 0.813 5287 A HN 0.517 nan 8.150 nan 0.000 0.454 5288 L N -1.227 119.738 121.223 -0.430 0.000 2.179 5288 L HA 0.021 4.763 4.340 0.669 0.000 0.208 5288 L C 2.806 179.268 176.870 -0.681 0.000 1.096 5288 L CA 0.671 55.170 54.840 -0.569 0.000 0.779 5288 L CB -0.736 40.843 42.059 -0.799 0.000 0.922 5288 L HN 0.447 nan 8.230 nan 0.000 0.443 5289 G N 0.655 108.968 108.800 -0.811 0.000 2.491 5289 G HA2 -0.316 4.045 3.960 0.669 0.000 0.218 5289 G HA3 -0.316 4.045 3.960 0.669 0.000 0.218 5289 G C 1.518 176.194 174.900 -0.374 0.000 1.180 5289 G CA 0.976 45.730 45.100 -0.576 0.000 0.774 5289 G HN 0.166 nan 8.290 nan 0.000 0.562 5290 I N 1.435 121.810 120.570 -0.325 0.000 2.127 5290 I HA -0.136 4.436 4.170 0.669 0.000 0.241 5290 I C 2.967 178.982 176.117 -0.171 0.000 1.075 5290 I CA 1.585 62.706 61.300 -0.299 0.000 1.334 5290 I CB -0.508 37.292 38.000 -0.333 0.000 1.040 5290 I HN 0.137 nan 8.210 nan 0.000 0.405 5291 S N -0.567 115.048 115.700 -0.142 0.000 2.440 5291 S HA -0.174 4.698 4.470 0.669 0.000 0.238 5291 S C 1.880 176.532 174.600 0.087 0.000 1.010 5291 S CA 1.642 59.826 58.200 -0.027 0.000 0.972 5291 S CB -0.554 62.614 63.200 -0.053 0.000 0.774 5291 S HN 0.549 nan 8.310 nan 0.000 0.501 5292 T N 2.213 116.780 114.554 0.021 0.000 2.735 5292 T HA 0.136 4.887 4.350 0.669 0.000 0.256 5292 T C 1.704 176.510 174.700 0.178 0.000 1.042 5292 T CA 0.912 63.108 62.100 0.161 0.000 1.147 5292 T CB -0.261 68.740 68.868 0.221 0.000 0.865 5292 T HN 0.335 nan 8.240 nan 0.000 0.421 5293 M N 1.199 120.812 119.600 0.023 0.000 2.630 5293 M HA 0.147 5.028 4.480 0.669 0.000 0.254 5293 M C 2.502 178.732 176.300 -0.117 0.000 1.092 5293 M CA 0.309 55.541 55.300 -0.114 0.000 1.087 5293 M CB -0.325 32.024 32.600 -0.418 0.000 1.453 5293 M HN 0.254 nan 8.290 nan 0.000 0.509 5294 A N 0.297 123.123 122.820 0.010 0.000 1.986 5294 A HA -0.135 4.586 4.320 0.669 0.000 0.220 5294 A C 1.217 178.656 177.584 -0.241 0.000 1.171 5294 A CA 1.516 53.556 52.037 0.005 0.000 0.640 5294 A CB -0.644 18.231 19.000 -0.208 0.000 0.811 5294 A HN 0.538 nan 8.150 nan 0.000 0.451 5295 F N -0.719 119.314 119.950 0.139 0.000 2.855 5295 F HA 0.276 5.204 4.527 0.668 0.000 0.317 5295 F C 0.301 176.173 175.800 0.121 0.000 1.169 5295 F CA -0.315 57.753 58.000 0.113 0.000 1.299 5295 F CB -0.748 38.296 39.000 0.073 0.000 0.962 5295 F HN 0.281 nan 8.300 nan 0.000 0.506 5296 N N 1.211 120.081 118.700 0.284 0.000 2.746 5296 N HA -0.209 4.932 4.740 0.669 0.000 0.250 5296 N C -0.404 175.227 175.510 0.203 0.000 1.055 5296 N CA 0.031 53.244 53.050 0.273 0.000 0.699 5296 N CB -1.218 37.396 38.487 0.212 0.000 0.919 5296 N HN 0.371 nan 8.380 nan 0.000 0.548 5297 L N 0.917 122.259 121.223 0.198 0.000 2.935 5297 L HA 0.230 4.971 4.340 0.669 0.000 0.243 5297 L C 0.259 177.236 176.870 0.178 0.000 1.313 5297 L CA -0.528 54.404 54.840 0.153 0.000 0.969 5297 L CB -0.112 42.048 42.059 0.168 0.000 1.320 5297 L HN 0.253 nan 8.230 nan 0.000 0.511 5298 N N 0.226 119.038 118.700 0.188 0.000 2.202 5298 N HA -0.047 5.094 4.740 0.669 0.000 0.218 5298 N C 0.718 176.278 175.510 0.084 0.000 1.328 5298 N CA 0.393 53.581 53.050 0.229 0.000 0.884 5298 N CB 0.360 38.969 38.487 0.203 0.000 1.106 5298 N HN 0.303 nan 8.380 nan 0.000 0.439 5299 G N -0.802 108.073 108.800 0.125 0.000 2.647 5299 G HA2 0.226 4.587 3.960 0.669 0.000 0.271 5299 G HA3 0.226 4.587 3.960 0.669 0.000 0.271 5299 G C -0.094 174.677 174.900 -0.214 0.000 1.300 5299 G CA -0.506 44.520 45.100 -0.123 0.000 0.997 5299 G HN 0.390 nan 8.290 nan 0.000 0.533 5300 F N -0.641 119.298 119.950 -0.019 0.000 2.514 5300 F HA 0.255 5.184 4.527 0.670 0.000 0.309 5300 F C 0.906 176.664 175.800 -0.070 0.000 1.279 5300 F CA 0.715 58.670 58.000 -0.075 0.000 1.304 5300 F CB 0.599 39.667 39.000 0.113 0.000 1.223 5300 F HN 0.481 nan 8.300 nan 0.000 0.563 5301 N N -0.407 118.227 118.700 -0.111 0.000 2.648 5301 N HA 0.258 5.400 4.740 0.669 0.000 0.272 5301 N C -1.337 173.995 175.510 -0.296 0.000 1.118 5301 N CA -0.374 52.645 53.050 -0.052 0.000 0.973 5301 N CB 0.371 38.831 38.487 -0.045 0.000 1.565 5301 N HN 0.338 nan 8.380 nan 0.000 0.542 5302 F N 0.749 120.754 119.950 0.093 0.000 2.764 5302 F HA 0.404 5.331 4.527 0.668 0.000 0.310 5302 F C 0.503 176.355 175.800 0.087 0.000 1.124 5302 F CA -0.759 57.284 58.000 0.071 0.000 1.252 5302 F CB -0.409 38.621 39.000 0.049 0.000 1.010 5302 F HN 0.320 nan 8.300 nan 0.000 0.518 5303 N N 0.527 119.365 118.700 0.231 0.000 2.353 5303 N HA -0.073 5.068 4.740 0.669 0.000 0.248 5303 N C -0.026 175.663 175.510 0.299 0.000 1.240 5303 N CA 0.282 53.479 53.050 0.245 0.000 0.862 5303 N CB -0.027 38.552 38.487 0.154 0.000 1.086 5303 N HN 0.267 nan 8.380 nan 0.000 0.453 5304 H N -0.956 118.151 119.070 0.060 0.000 2.932 5304 H HA -0.187 4.770 4.556 0.669 0.000 0.290 5304 H C 1.147 176.503 175.328 0.047 0.000 1.108 5304 H CA 1.107 57.178 56.048 0.040 0.000 1.172 5304 H CB -1.799 27.978 29.762 0.025 0.000 1.325 5304 H HN 0.657 nan 8.280 nan 0.000 0.354 5305 S N -1.661 114.149 115.700 0.183 0.000 2.561 5305 S HA 0.231 5.102 4.470 0.669 0.000 0.225 5305 S C 0.749 175.411 174.600 0.103 0.000 0.977 5305 S CA 0.382 58.668 58.200 0.144 0.000 0.926 5305 S CB 0.654 63.974 63.200 0.201 0.000 0.769 5305 S HN 0.134 nan 8.310 nan 0.000 0.533 5306 V N 2.490 122.447 119.914 0.072 0.000 2.407 5306 V HA 0.580 5.101 4.120 0.669 0.000 0.291 5306 V C -0.445 175.649 176.094 0.001 0.000 1.018 5306 V CA -0.702 61.617 62.300 0.031 0.000 0.842 5306 V CB 1.021 32.852 31.823 0.014 0.000 0.996 5306 V HN 0.383 nan 8.190 nan 0.000 0.426 5307 I N 3.569 124.141 120.570 0.002 0.000 3.074 5307 I HA 0.567 5.138 4.170 0.669 0.000 0.310 5307 I C -0.610 175.500 176.117 -0.012 0.000 1.153 5307 I CA -0.815 60.478 61.300 -0.012 0.000 0.993 5307 I CB 2.557 40.558 38.000 0.001 0.000 1.237 5307 I HN 0.650 nan 8.210 nan 0.000 0.443 5308 D N 2.744 123.133 120.400 -0.019 0.000 2.539 5308 D HA 0.430 5.471 4.640 0.669 0.000 0.280 5308 D C 0.884 177.178 176.300 -0.010 0.000 1.208 5308 D CA -0.295 53.696 54.000 -0.016 0.000 1.088 5308 D CB 0.690 41.476 40.800 -0.022 0.000 1.149 5308 D HN 0.531 nan 8.370 nan 0.000 0.596 5309 A N 0.503 123.318 122.820 -0.010 0.000 1.844 5309 A HA -0.259 4.462 4.320 0.669 0.000 0.214 5309 A C 1.971 179.552 177.584 -0.005 0.000 1.217 5309 A CA 2.621 54.654 52.037 -0.006 0.000 0.644 5309 A CB -1.230 17.765 19.000 -0.007 0.000 0.850 5309 A HN 0.735 nan 8.150 nan 0.000 0.456 5310 K N -1.235 119.161 120.400 -0.007 0.000 2.374 5310 K HA -0.175 4.546 4.320 0.669 0.000 0.202 5310 K C 1.151 177.749 176.600 -0.004 0.000 1.044 5310 K CA 1.498 57.782 56.287 -0.006 0.000 0.933 5310 K CB -0.454 32.041 32.500 -0.009 0.000 0.745 5310 K HN 1.155 nan 8.250 nan 0.000 0.474 5311 G N -0.233 108.563 108.800 -0.006 0.000 2.195 5311 G HA2 -0.216 4.145 3.960 0.669 0.000 0.224 5311 G HA3 -0.216 4.145 3.960 0.669 0.000 0.224 5311 G C -0.291 174.602 174.900 -0.013 0.000 0.990 5311 G CA -0.065 45.033 45.100 -0.003 0.000 0.639 5311 G HN 0.337 nan 8.290 nan 0.000 0.514 5312 N N 0.623 119.311 118.700 -0.020 0.000 2.357 5312 N HA 0.181 5.322 4.740 0.669 0.000 0.257 5312 N C 0.252 175.731 175.510 -0.051 0.000 1.250 5312 N CA 0.557 53.587 53.050 -0.033 0.000 0.862 5312 N CB 1.584 40.051 38.487 -0.033 0.000 1.066 5312 N HN 0.228 nan 8.380 nan 0.000 0.468 5313 V N 4.940 124.805 119.914 -0.081 0.000 2.498 5313 V HA 0.172 4.693 4.120 0.669 0.000 0.279 5313 V C 0.020 176.035 176.094 -0.132 0.000 1.048 5313 V CA -0.498 61.725 62.300 -0.128 0.000 0.967 5313 V CB 0.709 32.377 31.823 -0.258 0.000 0.988 5313 V HN 0.372 nan 8.190 nan 0.000 0.473 5314 I N 6.125 126.629 120.570 -0.110 0.000 2.307 5314 I HA 0.329 4.900 4.170 0.669 0.000 0.289 5314 I C 0.277 176.325 176.117 -0.116 0.000 1.021 5314 I CA -0.502 60.736 61.300 -0.104 0.000 1.224 5314 I CB 0.671 38.626 38.000 -0.075 0.000 1.376 5314 I HN 0.613 nan 8.210 nan 0.000 0.470 5315 N N 4.322 122.938 118.700 -0.141 0.000 2.454 5315 N HA 0.089 5.231 4.740 0.669 0.000 0.260 5315 N C 0.094 175.530 175.510 -0.124 0.000 1.218 5315 N CA 0.431 53.400 53.050 -0.135 0.000 0.904 5315 N CB 0.449 38.840 38.487 -0.160 0.000 1.065 5315 N HN 0.498 nan 8.380 nan 0.000 0.462 5316 T N 0.563 115.086 114.554 -0.052 0.000 2.913 5316 T HA 0.029 4.780 4.350 0.669 0.000 0.287 5316 T C 0.730 175.442 174.700 0.020 0.000 1.008 5316 T CA -0.450 61.643 62.100 -0.012 0.000 1.067 5316 T CB 0.597 69.493 68.868 0.046 0.000 0.996 5316 T HN 0.591 nan 8.240 nan 0.000 0.513 5317 W N 0.979 122.252 121.300 -0.046 0.000 2.747 5317 W HA 0.122 5.184 4.660 0.669 0.000 0.244 5317 W C 1.852 178.355 176.519 -0.026 0.000 1.270 5317 W CA 0.003 57.326 57.345 -0.036 0.000 1.333 5317 W CB 0.043 29.474 29.460 -0.048 0.000 1.139 5317 W HN 0.830 nan 8.180 nan 0.000 0.662 5318 A N -1.479 121.483 122.820 0.237 0.000 2.252 5318 A HA -0.034 4.687 4.320 0.669 0.000 0.213 5318 A C 1.624 179.321 177.584 0.189 0.000 1.188 5318 A CA 0.523 52.674 52.037 0.189 0.000 0.863 5318 A CB -0.179 18.899 19.000 0.130 0.000 0.893 5318 A HN 0.123 nan 8.150 nan 0.000 0.495 5319 D N 0.097 120.589 120.400 0.154 0.000 2.224 5319 D HA -0.076 4.965 4.640 0.669 0.000 0.205 5319 D C 1.628 177.998 176.300 0.117 0.000 0.965 5319 D CA 0.733 54.806 54.000 0.122 0.000 0.852 5319 D CB 0.119 40.956 40.800 0.062 0.000 0.947 5319 D HN 0.279 nan 8.370 nan 0.000 0.494 5320 I N 1.419 122.083 120.570 0.156 0.000 2.193 5320 I HA -0.197 4.374 4.170 0.669 0.000 0.240 5320 I C 2.598 178.822 176.117 0.178 0.000 1.084 5320 I CA 0.671 62.081 61.300 0.183 0.000 1.365 5320 I CB -0.821 37.392 38.000 0.355 0.000 1.064 5320 I HN -0.005 nan 8.210 nan 0.000 0.410 5321 I N 0.973 121.665 120.570 0.203 0.000 2.103 5321 I HA -0.451 4.120 4.170 0.669 0.000 0.241 5321 I C 2.395 178.576 176.117 0.106 0.000 1.036 5321 I CA 1.968 63.349 61.300 0.136 0.000 1.300 5321 I CB -0.708 37.371 38.000 0.132 0.000 1.010 5321 I HN 0.380 nan 8.210 nan 0.000 0.406 5322 N N 0.459 119.227 118.700 0.115 0.000 2.309 5322 N HA -0.190 4.951 4.740 0.669 0.000 0.182 5322 N C 1.920 177.472 175.510 0.069 0.000 1.018 5322 N CA 1.131 54.234 53.050 0.088 0.000 0.876 5322 N CB -0.023 38.527 38.487 0.104 0.000 0.972 5322 N HN 0.190 nan 8.380 nan 0.000 0.434 5323 R N 1.290 121.837 120.500 0.078 0.000 2.075 5323 R HA 0.071 4.812 4.340 0.669 0.000 0.230 5323 R C 2.070 178.399 176.300 0.049 0.000 1.140 5323 R CA 1.879 58.015 56.100 0.060 0.000 0.928 5323 R CB -1.258 29.079 30.300 0.061 0.000 0.834 5323 R HN 0.153 nan 8.270 nan 0.000 0.429 5324 A N 0.147 123.002 122.820 0.059 0.000 2.139 5324 A HA -0.220 4.501 4.320 0.669 0.000 0.221 5324 A C 1.915 179.515 177.584 0.027 0.000 1.159 5324 A CA 2.004 54.068 52.037 0.045 0.000 0.662 5324 A CB -0.902 18.131 19.000 0.055 0.000 0.796 5324 A HN 0.634 nan 8.150 nan 0.000 0.463 5325 N N -0.593 118.123 118.700 0.027 0.000 2.171 5325 N HA 0.006 5.147 4.740 0.669 0.000 0.184 5325 N C 1.623 177.124 175.510 -0.016 0.000 1.021 5325 N CA 0.858 53.909 53.050 0.001 0.000 0.854 5325 N CB -0.145 38.346 38.487 0.007 0.000 0.994 5325 N HN 0.451 nan 8.380 nan 0.000 0.426 5326 L N 0.278 121.501 121.223 0.001 0.000 2.046 5326 L HA -0.089 4.652 4.340 0.669 0.000 0.208 5326 L C 2.561 179.430 176.870 -0.003 0.000 1.077 5326 L CA 1.268 56.105 54.840 -0.003 0.000 0.747 5326 L CB -1.100 40.966 42.059 0.011 0.000 0.896 5326 L HN 0.300 nan 8.230 nan 0.000 0.432 5327 G N -0.046 108.757 108.800 0.006 0.000 2.507 5327 G HA2 -0.305 4.057 3.960 0.669 0.000 0.221 5327 G HA3 -0.305 4.057 3.960 0.669 0.000 0.221 5327 G C 1.611 176.512 174.900 0.002 0.000 1.119 5327 G CA 0.982 46.087 45.100 0.008 0.000 0.751 5327 G HN 0.249 nan 8.290 nan 0.000 0.574 5328 M N -0.313 119.279 119.600 -0.014 0.000 2.134 5328 M HA 0.081 4.963 4.480 0.669 0.000 0.262 5328 M C 2.413 178.671 176.300 -0.069 0.000 1.076 5328 M CA 1.487 56.766 55.300 -0.036 0.000 1.143 5328 M CB -0.381 32.184 32.600 -0.058 0.000 1.346 5328 M HN 0.381 nan 8.290 nan 0.000 0.421 5329 E N 0.799 120.937 120.200 -0.104 0.000 2.048 5329 E HA -0.213 4.538 4.350 0.669 0.000 0.202 5329 E C 1.769 178.412 176.600 0.072 0.000 1.021 5329 E CA 2.319 58.641 56.400 -0.130 0.000 0.825 5329 E CB -0.169 29.485 29.700 -0.076 0.000 0.756 5329 E HN 0.212 nan 8.360 nan 0.000 0.454 5330 V N 0.434 120.375 119.914 0.045 0.000 2.222 5330 V HA -0.365 4.157 4.120 0.669 0.000 0.252 5330 V C 2.554 178.679 176.094 0.052 0.000 1.060 5330 V CA 2.459 64.786 62.300 0.046 0.000 1.027 5330 V CB -0.633 31.201 31.823 0.018 0.000 0.644 5330 V HN 0.392 nan 8.190 nan 0.000 0.448 5331 M N -0.193 119.437 119.600 0.051 0.000 2.059 5331 M HA -0.054 4.827 4.480 0.669 0.000 0.259 5331 M C 1.286 177.601 176.300 0.026 0.000 1.072 5331 M CA 1.144 56.460 55.300 0.027 0.000 1.117 5331 M CB -1.058 31.558 32.600 0.026 0.000 1.320 5331 M HN 0.733 nan 8.290 nan 0.000 0.408 5332 H N 2.165 121.183 119.070 -0.087 0.000 3.198 5332 H HA -0.115 4.841 4.556 0.668 0.000 0.296 5332 H C -0.510 174.706 175.328 -0.186 0.000 0.935 5332 H CA 1.152 57.144 56.048 -0.093 0.000 1.365 5332 H CB -0.762 28.964 29.762 -0.060 0.000 1.267 5332 H HN 0.541 nan 8.280 nan 0.000 0.572 5333 E N 2.440 122.491 120.200 -0.249 0.000 2.246 5333 E HA -0.295 4.456 4.350 0.669 0.000 0.173 5333 E C 0.887 177.274 176.600 -0.355 0.000 1.532 5333 E CA 0.705 56.931 56.400 -0.291 0.000 0.672 5333 E CB -0.433 29.107 29.700 -0.267 0.000 1.078 5333 E HN 0.758 nan 8.360 nan 0.000 0.338 5334 R N 0.973 121.357 120.500 -0.194 0.000 2.171 5334 R HA -0.231 4.510 4.340 0.669 0.000 0.226 5334 R C 1.773 178.008 176.300 -0.109 0.000 1.113 5334 R CA 2.256 58.267 56.100 -0.150 0.000 0.887 5334 R CB -0.405 29.845 30.300 -0.082 0.000 0.830 5334 R HN 0.337 nan 8.270 nan 0.000 0.432 5335 N N 0.374 119.038 118.700 -0.060 0.000 2.166 5335 N HA -0.130 5.011 4.740 0.669 0.000 0.186 5335 N C 1.500 177.000 175.510 -0.017 0.000 1.019 5335 N CA 1.498 54.524 53.050 -0.039 0.000 0.856 5335 N CB -0.638 37.826 38.487 -0.038 0.000 0.993 5335 N HN 0.361 nan 8.380 nan 0.000 0.426 5336 A N 1.564 124.404 122.820 0.033 0.000 1.848 5336 A HA -0.140 4.581 4.320 0.669 0.000 0.211 5336 A C 0.081 177.690 177.584 0.041 0.000 1.225 5336 A CA 0.921 52.977 52.037 0.032 0.000 0.637 5336 A CB -1.644 17.377 19.000 0.035 0.000 0.867 5336 A HN 0.472 nan 8.150 nan 0.000 0.463 5337 H N 1.214 120.221 119.070 -0.105 0.000 3.360 5337 H HA -0.075 4.881 4.556 0.668 0.000 0.180 5337 H C -0.175 175.077 175.328 -0.128 0.000 0.626 5337 H CA 0.772 56.771 56.048 -0.081 0.000 1.371 5337 H CB -1.073 28.635 29.762 -0.089 0.000 1.479 5337 H HN 0.355 nan 8.280 nan 0.000 0.541 5338 N N 3.277 121.887 118.700 -0.151 0.000 2.575 5338 N HA 0.128 5.269 4.740 0.669 0.000 0.275 5338 N C -0.786 174.146 175.510 -0.963 0.000 1.202 5338 N CA 0.212 52.975 53.050 -0.478 0.000 0.945 5338 N CB 0.210 38.346 38.487 -0.585 0.000 1.247 5338 N HN 0.238 nan 8.380 nan 0.000 0.510 5339 F N -0.540 119.426 119.950 0.027 0.000 3.052 5339 F HA 0.305 5.233 4.527 0.668 0.000 0.323 5339 F C -1.337 174.480 175.800 0.027 0.000 1.178 5339 F CA -1.141 56.870 58.000 0.018 0.000 0.892 5339 F CB 0.145 39.148 39.000 0.004 0.000 1.416 5339 F HN -0.193 nan 8.300 nan 0.000 0.488 5340 P HA 0.082 nan 4.420 nan 0.000 0.217 5340 P C -0.236 177.132 177.300 0.113 0.000 1.154 5340 P CA 1.327 64.512 63.100 0.141 0.000 0.841 5340 P CB 0.799 32.561 31.700 0.104 0.000 0.788 5341 L N 1.357 122.645 121.223 0.109 0.000 2.280 5341 L HA 0.264 5.006 4.340 0.669 0.000 0.287 5341 L C 0.402 177.332 176.870 0.100 0.000 1.023 5341 L CA -0.784 54.103 54.840 0.079 0.000 0.819 5341 L CB 1.250 43.330 42.059 0.036 0.000 1.212 5341 L HN -0.187 nan 8.230 nan 0.000 0.420 5342 D N 4.188 124.660 120.400 0.121 0.000 2.662 5342 D HA -0.005 5.036 4.640 0.669 0.000 0.228 5342 D C 0.925 177.274 176.300 0.080 0.000 1.090 5342 D CA 0.270 54.371 54.000 0.168 0.000 1.118 5342 D CB 0.216 41.147 40.800 0.218 0.000 1.129 5342 D HN 0.466 nan 8.370 nan 0.000 0.472 5343 L N 0.644 121.894 121.223 0.045 0.000 2.693 5343 L HA 0.244 4.985 4.340 0.669 0.000 0.242 5343 L C 0.951 177.822 176.870 0.002 0.000 1.157 5343 L CA -0.101 54.747 54.840 0.013 0.000 0.929 5343 L CB -0.632 41.426 42.059 -0.000 0.000 1.103 5343 L HN 0.290 nan 8.230 nan 0.000 0.430 5344 A N 0.000 122.824 122.820 0.007 0.000 2.254 5344 A HA 0.000 4.721 4.320 0.669 0.000 0.244 5344 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 5344 A CB 0.000 18.970 19.000 -0.049 0.000 0.831 5344 A HN 0.000 nan 8.150 nan 0.000 0.486