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 3olp_1_A DATA FIRST_RESID 2 DATA SEQUENCE AIHNRAGQPA QQSDLINVAQ LTAQYYVLKP EAGNAEHAVK FGTSGHRGSA DATA SEQUENCE GRHSFNEPHI LAIAQAIAEE RAKNGITGPC YVGKDTHALS EPAFISVLEV DATA SEQUENCE LAANGVDVIV QENNGFTPTP AVSNAILVHN KKGGPLADGI VITPSHNPPE DATA SEQUENCE DGGIKYNPPN GGPADTNVTK VVEDRANALL AGGLQGVKRI SLDAAMASGH DATA SEQUENCE VKAVDLVQPF VEGLADIVDM AAIQKAGLTL GVDPLGGSGI EYWKRIAEHY DATA SEQUENCE KLNLTLVNDQ VDQTFRFMHL DKDGAIRMDC SSECAMAGLL ALRDKFDLAF DATA SEQUENCE ANDPDYDRHG IVTPAGLMNP NHYLAVAINY LFQHRPLWGK DVAVGKTLVS DATA SEQUENCE SAMIDRVVND LGRKLVEVPV GFKWFVDGLF DGSFGFGGEE SAGASFLRFD DATA SEQUENCE GTPWSTDKDG IIMCLLAAEI TAVTGKNPQE HYNELAARFG APSYNRLQAS DATA SEQUENCE ATSAQKAALS KLSPEMVSAS TLAGDPITAR LTAAPGNGAS IGGLKVMTDN DATA SEQUENCE GWFAARPSGT EDAYKIYCES FLGEEHRKQI EKEAVEIVSE VLK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.596 177.584 0.020 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 3 I N 2.865 123.447 120.570 0.021 0.000 2.306 3 I HA 0.284 4.358 4.170 -0.160 0.000 0.288 3 I C -0.299 175.855 176.117 0.062 0.000 1.036 3 I CA -0.079 61.244 61.300 0.038 0.000 1.221 3 I CB 0.444 38.452 38.000 0.014 0.000 1.385 3 I HN 0.422 nan 8.210 nan 0.000 0.472 4 H N 6.453 125.516 119.070 -0.011 0.000 2.551 4 H HA 0.135 4.594 4.556 -0.161 0.000 0.358 4 H C 0.673 175.998 175.328 -0.005 0.000 1.151 4 H CA 0.139 56.182 56.048 -0.008 0.000 1.374 4 H CB 1.199 30.957 29.762 -0.008 0.000 1.473 4 H HN 0.577 nan 8.280 nan 0.000 0.574 5 N N 1.898 120.263 118.700 -0.558 0.000 2.132 5 N HA -0.174 4.470 4.740 -0.160 0.000 0.191 5 N C 1.176 176.656 175.510 -0.049 0.000 1.015 5 N CA 1.559 54.427 53.050 -0.303 0.000 0.864 5 N CB 0.042 38.307 38.487 -0.371 0.000 1.006 5 N HN 0.518 nan 8.380 nan 0.000 0.430 6 R N 0.181 120.808 120.500 0.211 0.000 2.359 6 R HA 0.325 4.569 4.340 -0.160 0.000 0.231 6 R C -0.149 176.260 176.300 0.181 0.000 0.913 6 R CA -0.186 56.055 56.100 0.234 0.000 1.075 6 R CB 0.339 30.801 30.300 0.270 0.000 1.087 6 R HN 0.117 nan 8.270 nan 0.000 0.515 7 A N 0.580 123.505 122.820 0.176 0.000 2.567 7 A HA 0.325 4.549 4.320 -0.160 0.000 0.240 7 A C 1.302 178.934 177.584 0.080 0.000 1.053 7 A CA 1.116 53.214 52.037 0.103 0.000 0.755 7 A CB -0.202 18.847 19.000 0.081 0.000 0.978 7 A HN 0.552 nan 8.150 nan 0.000 0.507 8 G N 0.991 109.841 108.800 0.084 0.000 2.205 8 G HA2 -0.220 3.644 3.960 -0.160 0.000 0.261 8 G HA3 -0.220 3.644 3.960 -0.160 0.000 0.261 8 G C 0.277 175.293 174.900 0.193 0.000 0.980 8 G CA 0.504 45.667 45.100 0.106 0.000 0.632 8 G HN 0.895 nan 8.290 nan 0.000 0.533 9 Q N 0.771 120.657 119.800 0.142 0.000 2.306 9 Q HA 0.403 4.647 4.340 -0.160 0.000 0.241 9 Q C -2.397 173.627 176.000 0.041 0.000 0.948 9 Q CA -1.721 54.154 55.803 0.120 0.000 0.886 9 Q CB 0.733 29.512 28.738 0.068 0.000 1.227 9 Q HN 0.223 nan 8.270 nan 0.000 0.457 10 P HA 0.029 nan 4.420 nan 0.000 0.268 10 P C -0.900 176.314 177.300 -0.143 0.000 1.205 10 P CA 0.072 62.993 63.100 -0.300 0.000 0.771 10 P CB 0.460 32.010 31.700 -0.249 0.000 0.858 11 A N 3.509 126.239 122.820 -0.150 0.000 2.531 11 A HA 0.152 4.376 4.320 -0.160 0.000 0.236 11 A C 0.292 177.833 177.584 -0.072 0.000 1.062 11 A CA 0.273 52.253 52.037 -0.095 0.000 0.760 11 A CB -0.221 18.714 19.000 -0.109 0.000 0.995 11 A HN 0.448 nan 8.150 nan 0.000 0.501 12 Q N 0.133 119.904 119.800 -0.047 0.000 2.306 12 Q HA 0.225 4.469 4.340 -0.160 0.000 0.269 12 Q C 0.741 176.724 176.000 -0.028 0.000 1.053 12 Q CA -0.844 54.939 55.803 -0.032 0.000 0.879 12 Q CB 1.251 29.978 28.738 -0.018 0.000 1.344 12 Q HN 0.883 nan 8.270 nan 0.000 0.464 13 Q N 0.933 120.721 119.800 -0.020 0.000 2.112 13 Q HA -0.186 4.058 4.340 -0.160 0.000 0.206 13 Q C 1.621 177.613 176.000 -0.013 0.000 0.987 13 Q CA 2.606 58.400 55.803 -0.015 0.000 0.858 13 Q CB -0.228 28.505 28.738 -0.008 0.000 0.905 13 Q HN 0.752 nan 8.270 nan 0.000 0.420 14 S N -0.503 115.191 115.700 -0.010 0.000 2.442 14 S HA -0.130 4.244 4.470 -0.160 0.000 0.236 14 S C 1.132 175.725 174.600 -0.013 0.000 1.007 14 S CA 1.186 59.382 58.200 -0.007 0.000 0.965 14 S CB -0.260 62.939 63.200 -0.003 0.000 0.773 14 S HN 0.405 nan 8.310 nan 0.000 0.504 15 D N 1.355 121.742 120.400 -0.021 0.000 2.363 15 D HA 0.185 4.729 4.640 -0.160 0.000 0.220 15 D C 0.432 176.715 176.300 -0.029 0.000 0.994 15 D CA 0.334 54.316 54.000 -0.030 0.000 0.890 15 D CB -0.029 40.746 40.800 -0.042 0.000 0.906 15 D HN 0.462 nan 8.370 nan 0.000 0.530 16 L N 1.366 122.576 121.223 -0.022 0.000 2.343 16 L HA 0.404 4.648 4.340 -0.160 0.000 0.275 16 L C 0.802 177.669 176.870 -0.004 0.000 1.056 16 L CA -1.106 53.724 54.840 -0.018 0.000 0.804 16 L CB 1.551 43.597 42.059 -0.021 0.000 1.203 16 L HN -0.137 nan 8.230 nan 0.000 0.440 17 I N -1.032 119.541 120.570 0.005 0.000 2.886 17 I HA 0.280 4.354 4.170 -0.160 0.000 0.299 17 I C 0.126 176.254 176.117 0.018 0.000 1.044 17 I CA -0.416 60.893 61.300 0.016 0.000 1.310 17 I CB 0.691 38.709 38.000 0.030 0.000 1.441 17 I HN 0.548 nan 8.210 nan 0.000 0.578 18 N N 3.653 122.367 118.700 0.023 0.000 2.500 18 N HA 0.176 4.820 4.740 -0.160 0.000 0.236 18 N C 0.537 176.069 175.510 0.037 0.000 1.022 18 N CA -0.299 52.766 53.050 0.026 0.000 0.935 18 N CB 1.455 39.958 38.487 0.026 0.000 1.147 18 N HN 0.662 nan 8.380 nan 0.000 0.512 19 V N 3.759 123.695 119.914 0.036 0.000 2.295 19 V HA -0.232 3.791 4.120 -0.160 0.000 0.246 19 V C 2.360 178.490 176.094 0.061 0.000 1.049 19 V CA 2.341 64.670 62.300 0.048 0.000 1.024 19 V CB -0.949 30.896 31.823 0.036 0.000 0.648 19 V HN 0.754 nan 8.190 nan 0.000 0.447 20 A N -0.904 121.948 122.820 0.054 0.000 1.933 20 A HA -0.293 3.931 4.320 -0.160 0.000 0.218 20 A C 2.271 179.901 177.584 0.076 0.000 1.175 20 A CA 2.052 54.127 52.037 0.065 0.000 0.628 20 A CB -0.535 18.494 19.000 0.049 0.000 0.814 20 A HN 0.617 nan 8.150 nan 0.000 0.444 21 Q N -0.829 119.009 119.800 0.063 0.000 2.050 21 Q HA -0.181 4.063 4.340 -0.160 0.000 0.202 21 Q C 2.025 178.072 176.000 0.080 0.000 0.980 21 Q CA 1.702 57.544 55.803 0.065 0.000 0.840 21 Q CB -0.249 28.518 28.738 0.047 0.000 0.898 21 Q HN 0.534 nan 8.270 nan 0.000 0.424 22 L N 0.651 121.920 121.223 0.077 0.000 2.042 22 L HA -0.171 4.073 4.340 -0.160 0.000 0.210 22 L C 2.161 179.112 176.870 0.135 0.000 1.076 22 L CA 2.303 57.197 54.840 0.089 0.000 0.749 22 L CB -0.837 41.270 42.059 0.080 0.000 0.893 22 L HN 0.202 nan 8.230 nan 0.000 0.432 23 T N -0.261 114.379 114.554 0.143 0.000 2.821 23 T HA -0.115 4.139 4.350 -0.160 0.000 0.267 23 T C 1.915 176.796 174.700 0.300 0.000 1.046 23 T CA 1.193 63.408 62.100 0.192 0.000 1.139 23 T CB -0.541 68.424 68.868 0.162 0.000 0.871 23 T HN 0.523 nan 8.240 nan 0.000 0.454 24 A N 1.527 124.491 122.820 0.241 0.000 1.933 24 A HA -0.185 4.039 4.320 -0.160 0.000 0.218 24 A C 2.269 180.007 177.584 0.257 0.000 1.175 24 A CA 1.535 53.732 52.037 0.267 0.000 0.628 24 A CB -0.683 18.407 19.000 0.150 0.000 0.814 24 A HN 0.543 nan 8.150 nan 0.000 0.444 25 Q N -2.090 117.811 119.800 0.169 0.000 2.170 25 Q HA -0.215 4.029 4.340 -0.160 0.000 0.203 25 Q C 1.867 177.922 176.000 0.091 0.000 0.976 25 Q CA 1.645 57.504 55.803 0.093 0.000 0.858 25 Q CB -0.386 28.372 28.738 0.033 0.000 0.907 25 Q HN 0.864 nan 8.270 nan 0.000 0.433 26 Y N -0.277 120.020 120.300 -0.005 0.000 2.151 26 Y HA -0.331 4.123 4.550 -0.161 0.000 0.284 26 Y C 1.305 177.045 175.900 -0.266 0.000 1.166 26 Y CA 1.765 59.776 58.100 -0.148 0.000 1.163 26 Y CB -0.056 38.255 38.460 -0.250 0.000 0.974 26 Y HN 0.113 nan 8.280 nan 0.000 0.511 27 Y N -1.640 118.776 120.300 0.193 0.000 2.397 27 Y HA -0.021 4.434 4.550 -0.160 0.000 0.292 27 Y C 2.437 178.346 175.900 0.014 0.000 1.115 27 Y CA 1.175 59.329 58.100 0.090 0.000 1.208 27 Y CB -0.383 38.164 38.460 0.146 0.000 1.046 27 Y HN 0.097 nan 8.280 nan 0.000 0.552 28 V N -2.352 117.664 119.914 0.170 0.000 3.471 28 V HA 0.202 4.225 4.120 -0.160 0.000 0.258 28 V C 0.468 176.588 176.094 0.042 0.000 1.192 28 V CA 0.180 62.539 62.300 0.097 0.000 1.116 28 V CB -0.495 31.386 31.823 0.096 0.000 0.792 28 V HN 0.061 nan 8.190 nan 0.000 0.459 29 L N 1.561 122.784 121.223 0.000 0.000 2.344 29 L HA 0.819 5.063 4.340 -0.160 0.000 0.272 29 L C 0.195 177.052 176.870 -0.022 0.000 1.035 29 L CA 0.019 54.848 54.840 -0.018 0.000 0.807 29 L CB 1.288 43.242 42.059 -0.175 0.000 1.237 29 L HN 0.271 nan 8.230 nan 0.000 0.442 30 K N 2.299 122.744 120.400 0.074 0.000 2.385 30 K HA 0.722 4.946 4.320 -0.160 0.000 0.248 30 K C -2.859 173.784 176.600 0.072 0.000 0.955 30 K CA -1.728 54.565 56.287 0.009 0.000 0.816 30 K CB 1.175 33.665 32.500 -0.016 0.000 1.250 30 K HN 0.414 nan 8.250 nan 0.000 0.434 31 P HA 0.295 nan 4.420 nan 0.000 0.268 31 P C -0.158 177.202 177.300 0.100 0.000 1.205 31 P CA 0.233 63.347 63.100 0.023 0.000 0.771 31 P CB 0.460 32.126 31.700 -0.057 0.000 0.858 32 E N 2.013 122.413 120.200 0.334 0.000 2.259 32 E HA 0.465 4.718 4.350 -0.160 0.000 0.281 32 E C 0.456 177.104 176.600 0.080 0.000 1.037 32 E CA -0.662 55.834 56.400 0.160 0.000 0.854 32 E CB 0.298 30.074 29.700 0.126 0.000 1.051 32 E HN 0.650 nan 8.360 nan 0.000 0.409 33 A N 1.551 124.383 122.820 0.021 0.000 2.553 33 A HA 0.483 4.707 4.320 -0.160 0.000 0.258 33 A C 1.729 179.305 177.584 -0.014 0.000 1.069 33 A CA 1.019 53.054 52.037 -0.003 0.000 0.767 33 A CB -0.889 18.103 19.000 -0.013 0.000 0.997 33 A HN 2.353 nan 8.150 nan 0.000 0.512 34 G N 1.947 110.737 108.800 -0.017 0.000 2.176 34 G HA2 -0.243 3.621 3.960 -0.160 0.000 0.232 34 G HA3 -0.243 3.621 3.960 -0.160 0.000 0.232 34 G C 0.245 175.114 174.900 -0.050 0.000 0.986 34 G CA 0.228 45.312 45.100 -0.028 0.000 0.643 34 G HN 1.065 nan 8.290 nan 0.000 0.522 35 N N 1.105 119.755 118.700 -0.082 0.000 2.420 35 N HA 0.613 5.257 4.740 -0.160 0.000 0.249 35 N C 1.444 176.884 175.510 -0.117 0.000 1.033 35 N CA 0.636 53.579 53.050 -0.180 0.000 0.944 35 N CB 1.023 39.242 38.487 -0.447 0.000 1.113 35 N HN 0.495 nan 8.380 nan 0.000 0.502 36 A N 3.593 126.372 122.820 -0.068 0.000 1.978 36 A HA -0.161 4.063 4.320 -0.160 0.000 0.220 36 A C 1.937 179.537 177.584 0.026 0.000 1.170 36 A CA 2.189 54.224 52.037 -0.005 0.000 0.636 36 A CB -0.938 18.062 19.000 0.001 0.000 0.810 36 A HN 0.764 nan 8.150 nan 0.000 0.448 37 E N -0.506 119.676 120.200 -0.030 0.000 2.265 37 E HA -0.217 4.037 4.350 -0.160 0.000 0.196 37 E C 1.510 178.246 176.600 0.227 0.000 0.996 37 E CA 1.435 57.864 56.400 0.049 0.000 0.832 37 E CB -1.152 28.549 29.700 0.000 0.000 0.756 37 E HN 0.971 nan 8.360 nan 0.000 0.491 38 H N -1.084 118.062 119.070 0.127 0.000 2.551 38 H HA 0.579 5.039 4.556 -0.161 0.000 0.271 38 H C 1.130 176.631 175.328 0.289 0.000 0.984 38 H CA -0.429 55.747 56.048 0.213 0.000 1.164 38 H CB 0.756 30.619 29.762 0.170 0.000 1.437 38 H HN 0.524 nan 8.280 nan 0.000 0.550 39 A N 1.250 124.248 122.820 0.297 0.000 2.313 39 A HA 0.290 4.513 4.320 -0.160 0.000 0.261 39 A C 0.328 178.078 177.584 0.277 0.000 1.090 39 A CA -0.464 51.709 52.037 0.226 0.000 0.807 39 A CB 0.446 19.525 19.000 0.132 0.000 1.055 39 A HN 0.101 nan 8.150 nan 0.000 0.492 40 V N 1.815 121.834 119.914 0.175 0.000 2.485 40 V HA 0.076 4.099 4.120 -0.160 0.000 0.287 40 V C 0.483 176.739 176.094 0.271 0.000 1.022 40 V CA 0.713 63.074 62.300 0.102 0.000 1.067 40 V CB 0.228 32.030 31.823 -0.036 0.000 0.967 40 V HN 0.750 nan 8.190 nan 0.000 0.479 41 K N 5.630 126.341 120.400 0.519 0.000 2.530 41 K HA 0.352 4.576 4.320 -0.160 0.000 0.230 41 K C -1.051 175.771 176.600 0.371 0.000 1.002 41 K CA -0.302 56.187 56.287 0.338 0.000 1.014 41 K CB 1.007 33.628 32.500 0.202 0.000 1.286 41 K HN 0.582 nan 8.250 nan 0.000 0.480 42 F N 2.317 122.362 119.950 0.159 0.000 2.311 42 F HA 0.408 4.841 4.527 -0.156 0.000 0.371 42 F C 0.391 176.240 175.800 0.081 0.000 1.083 42 F CA -0.301 57.781 58.000 0.136 0.000 1.113 42 F CB 0.603 39.664 39.000 0.100 0.000 1.349 42 F HN 0.495 nan 8.300 nan 0.000 0.470 43 G N 2.021 110.736 108.800 -0.143 0.000 3.175 43 G HA2 0.130 3.994 3.960 -0.160 0.000 0.153 43 G HA3 0.130 3.994 3.960 -0.160 0.000 0.153 43 G C 0.722 175.487 174.900 -0.226 0.000 1.216 43 G CA 0.146 45.179 45.100 -0.112 0.000 0.943 43 G HN 0.313 nan 8.290 nan 0.000 0.611 44 T N 1.104 115.575 114.554 -0.138 0.000 2.653 44 T HA -0.157 4.097 4.350 -0.160 0.000 0.268 44 T C 2.087 176.691 174.700 -0.159 0.000 1.035 44 T CA 2.264 64.285 62.100 -0.132 0.000 1.154 44 T CB -0.396 68.426 68.868 -0.077 0.000 0.862 44 T HN 0.557 nan 8.240 nan 0.000 0.441 45 S N 0.150 115.747 115.700 -0.172 0.000 2.562 45 S HA 0.587 4.960 4.470 -0.160 0.000 0.246 45 S C 0.989 175.436 174.600 -0.255 0.000 1.056 45 S CA -0.118 57.978 58.200 -0.173 0.000 1.042 45 S CB 0.215 63.341 63.200 -0.123 0.000 0.822 45 S HN 0.809 nan 8.310 nan 0.000 0.465 46 G N 1.735 110.247 108.800 -0.480 0.000 2.553 46 G HA2 -0.240 3.624 3.960 -0.160 0.000 0.242 46 G HA3 -0.240 3.624 3.960 -0.160 0.000 0.242 46 G C -0.489 174.187 174.900 -0.372 0.000 1.277 46 G CA 0.006 44.612 45.100 -0.824 0.000 0.910 46 G HN 0.971 nan 8.290 nan 0.000 0.576 47 H N 0.948 119.965 119.070 -0.089 0.000 2.466 47 H HA 0.801 5.262 4.556 -0.159 0.000 0.338 47 H C 0.432 175.842 175.328 0.138 0.000 1.091 47 H CA -0.625 55.500 56.048 0.128 0.000 1.207 47 H CB 0.790 30.756 29.762 0.340 0.000 1.466 47 H HN 0.670 nan 8.280 nan 0.000 0.493 48 R N 3.268 123.454 120.500 -0.523 0.000 2.807 48 R HA 0.708 4.952 4.340 -0.160 0.000 0.276 48 R C -0.732 175.289 176.300 -0.466 0.000 0.979 48 R CA -0.569 55.302 56.100 -0.382 0.000 0.928 48 R CB 2.377 32.499 30.300 -0.297 0.000 1.191 48 R HN 0.881 nan 8.270 nan 0.000 0.471 49 G N -0.286 108.358 108.800 -0.259 0.000 2.364 49 G HA2 0.329 4.193 3.960 -0.160 0.000 0.286 49 G HA3 0.329 4.193 3.960 -0.160 0.000 0.286 49 G C -1.661 173.187 174.900 -0.088 0.000 1.241 49 G CA -0.366 44.661 45.100 -0.121 0.000 0.887 49 G HN 0.439 nan 8.290 nan 0.000 0.484 50 S N -1.496 114.220 115.700 0.026 0.000 2.548 50 S HA 0.617 4.991 4.470 -0.160 0.000 0.276 50 S C 1.134 175.793 174.600 0.098 0.000 1.129 50 S CA 0.806 59.029 58.200 0.038 0.000 0.931 50 S CB 1.416 64.607 63.200 -0.014 0.000 1.068 50 S HN 1.950 nan 8.310 nan 0.000 0.480 51 A N 3.576 126.488 122.820 0.153 0.000 1.940 51 A HA 0.062 4.285 4.320 -0.160 0.000 0.219 51 A C 1.963 179.505 177.584 -0.070 0.000 1.176 51 A CA 2.174 54.268 52.037 0.095 0.000 0.631 51 A CB -1.328 17.781 19.000 0.181 0.000 0.814 51 A HN 1.195 nan 8.150 nan 0.000 0.446 52 G N -1.221 107.550 108.800 -0.048 0.000 2.598 52 G HA2 -0.049 3.814 3.960 -0.160 0.000 0.215 52 G HA3 -0.049 3.814 3.960 -0.160 0.000 0.215 52 G C 1.399 176.220 174.900 -0.131 0.000 1.131 52 G CA 0.416 45.453 45.100 -0.104 0.000 0.785 52 G HN 0.579 nan 8.290 nan 0.000 0.539 53 R N -0.435 120.025 120.500 -0.066 0.000 2.468 53 R HA 0.183 4.427 4.340 -0.160 0.000 0.280 53 R C 0.096 176.441 176.300 0.074 0.000 0.963 53 R CA -0.400 55.736 56.100 0.060 0.000 1.083 53 R CB -0.021 30.334 30.300 0.091 0.000 1.200 53 R HN 0.438 nan 8.270 nan 0.000 0.541 54 H N -0.413 118.585 119.070 -0.120 0.000 2.899 54 H HA -0.130 4.330 4.556 -0.161 0.000 0.282 54 H C 0.303 175.578 175.328 -0.089 0.000 1.198 54 H CA 1.212 57.100 56.048 -0.268 0.000 1.140 54 H CB -1.634 27.608 29.762 -0.865 0.000 1.317 54 H HN 0.408 nan 8.280 nan 0.000 0.375 55 S N -1.027 114.713 115.700 0.066 0.000 2.701 55 S HA 0.357 4.731 4.470 -0.160 0.000 0.242 55 S C -0.157 174.350 174.600 -0.156 0.000 1.025 55 S CA -0.443 57.742 58.200 -0.024 0.000 1.016 55 S CB 0.503 63.758 63.200 0.090 0.000 0.977 55 S HN 0.282 nan 8.310 nan 0.000 0.546 56 F N 1.920 121.732 119.950 -0.230 0.000 3.397 56 F HA 0.487 4.918 4.527 -0.159 0.000 0.406 56 F C -1.266 174.563 175.800 0.047 0.000 1.166 56 F CA -0.361 57.588 58.000 -0.084 0.000 1.322 56 F CB 0.333 39.348 39.000 0.025 0.000 2.322 56 F HN 0.057 nan 8.300 nan 0.000 0.709 57 N N 1.759 120.400 118.700 -0.098 0.000 2.571 57 N HA 0.248 4.892 4.740 -0.160 0.000 0.273 57 N C 0.540 175.414 175.510 -1.060 0.000 1.340 57 N CA -0.879 51.824 53.050 -0.578 0.000 0.789 57 N CB 1.211 39.552 38.487 -0.243 0.000 1.514 57 N HN 0.450 nan 8.380 nan 0.000 0.499 58 E N 0.279 119.560 120.200 -1.532 0.000 2.086 58 E HA -0.162 4.092 4.350 -0.160 0.000 0.200 58 E C -1.000 175.317 176.600 -0.472 0.000 1.012 58 E CA 1.839 57.642 56.400 -0.995 0.000 0.812 58 E CB -0.551 28.810 29.700 -0.566 0.000 0.743 58 E HN 0.406 nan 8.360 nan 0.000 0.453 59 P HA -0.172 nan 4.420 nan 0.000 0.215 59 P C 0.825 177.899 177.300 -0.376 0.000 1.153 59 P CA 1.390 64.275 63.100 -0.357 0.000 0.853 59 P CB -0.130 31.341 31.700 -0.381 0.000 0.788 60 H N -0.890 117.985 119.070 -0.325 0.000 2.319 60 H HA -0.094 4.366 4.556 -0.159 0.000 0.299 60 H C 1.865 176.992 175.328 -0.335 0.000 1.092 60 H CA 1.171 57.008 56.048 -0.352 0.000 1.302 60 H CB -0.712 28.782 29.762 -0.446 0.000 1.373 60 H HN 0.089 nan 8.280 nan 0.000 0.497 61 I N 1.037 121.480 120.570 -0.212 0.000 2.286 61 I HA -0.175 3.899 4.170 -0.160 0.000 0.245 61 I C 2.767 178.815 176.117 -0.114 0.000 1.104 61 I CA 0.655 61.863 61.300 -0.153 0.000 1.397 61 I CB -1.194 36.756 38.000 -0.083 0.000 1.072 61 I HN 0.152 nan 8.210 nan 0.000 0.417 62 L N 0.888 122.035 121.223 -0.127 0.000 2.012 62 L HA -0.216 4.028 4.340 -0.160 0.000 0.210 62 L C 2.838 179.629 176.870 -0.131 0.000 1.073 62 L CA 1.616 56.390 54.840 -0.111 0.000 0.748 62 L CB -0.830 41.164 42.059 -0.108 0.000 0.891 62 L HN 0.200 nan 8.230 nan 0.000 0.431 63 A N 0.321 123.046 122.820 -0.159 0.000 1.877 63 A HA -0.171 4.053 4.320 -0.160 0.000 0.216 63 A C 2.219 179.691 177.584 -0.187 0.000 1.186 63 A CA 1.572 53.510 52.037 -0.165 0.000 0.620 63 A CB -0.677 18.218 19.000 -0.175 0.000 0.822 63 A HN 0.332 nan 8.150 nan 0.000 0.443 64 I N -0.176 120.273 120.570 -0.202 0.000 2.179 64 I HA -0.297 3.777 4.170 -0.160 0.000 0.242 64 I C 2.977 178.952 176.117 -0.236 0.000 1.088 64 I CA 1.132 62.274 61.300 -0.263 0.000 1.357 64 I CB -0.326 37.548 38.000 -0.210 0.000 1.051 64 I HN 0.361 nan 8.210 nan 0.000 0.409 65 A N 0.035 122.762 122.820 -0.154 0.000 1.902 65 A HA -0.296 3.928 4.320 -0.160 0.000 0.217 65 A C 2.233 179.725 177.584 -0.154 0.000 1.181 65 A CA 2.032 53.991 52.037 -0.130 0.000 0.623 65 A CB -0.626 18.324 19.000 -0.084 0.000 0.818 65 A HN 0.436 nan 8.150 nan 0.000 0.443 66 Q N -0.113 119.597 119.800 -0.150 0.000 2.079 66 Q HA -0.009 4.235 4.340 -0.160 0.000 0.200 66 Q C 2.044 177.942 176.000 -0.171 0.000 0.974 66 Q CA 2.163 57.880 55.803 -0.144 0.000 0.840 66 Q CB -0.621 28.042 28.738 -0.125 0.000 0.898 66 Q HN 0.539 nan 8.270 nan 0.000 0.430 67 A N 0.169 122.865 122.820 -0.205 0.000 1.902 67 A HA -0.151 4.072 4.320 -0.160 0.000 0.217 67 A C 2.143 179.554 177.584 -0.288 0.000 1.181 67 A CA 1.552 53.446 52.037 -0.237 0.000 0.623 67 A CB -0.743 18.087 19.000 -0.283 0.000 0.818 67 A HN 0.489 nan 8.150 nan 0.000 0.443 68 I N -0.422 119.945 120.570 -0.338 0.000 2.202 68 I HA -0.256 3.818 4.170 -0.160 0.000 0.242 68 I C 3.000 178.924 176.117 -0.321 0.000 1.091 68 I CA 0.964 62.003 61.300 -0.435 0.000 1.368 68 I CB -0.357 37.377 38.000 -0.444 0.000 1.058 68 I HN 0.358 nan 8.210 nan 0.000 0.410 69 A N 0.545 123.235 122.820 -0.217 0.000 1.883 69 A HA -0.267 3.957 4.320 -0.160 0.000 0.217 69 A C 2.200 179.698 177.584 -0.143 0.000 1.186 69 A CA 1.986 53.928 52.037 -0.158 0.000 0.624 69 A CB -0.676 18.243 19.000 -0.135 0.000 0.822 69 A HN 0.457 nan 8.150 nan 0.000 0.444 70 E N -1.012 119.100 120.200 -0.147 0.000 2.051 70 E HA -0.228 4.026 4.350 -0.160 0.000 0.192 70 E C 2.109 178.637 176.600 -0.119 0.000 0.991 70 E CA 1.375 57.702 56.400 -0.121 0.000 0.799 70 E CB -0.124 29.506 29.700 -0.116 0.000 0.748 70 E HN 0.736 nan 8.360 nan 0.000 0.449 71 E N 1.311 121.416 120.200 -0.158 0.000 2.077 71 E HA -0.213 4.041 4.350 -0.160 0.000 0.193 71 E C 2.057 178.594 176.600 -0.104 0.000 0.989 71 E CA 1.621 57.937 56.400 -0.141 0.000 0.800 71 E CB -0.082 29.501 29.700 -0.194 0.000 0.746 71 E HN 0.233 nan 8.360 nan 0.000 0.452 72 R N 0.230 120.653 120.500 -0.128 0.000 2.092 72 R HA 0.024 4.268 4.340 -0.160 0.000 0.231 72 R C 2.246 178.531 176.300 -0.025 0.000 1.119 72 R CA 1.335 57.412 56.100 -0.038 0.000 0.970 72 R CB -0.597 29.696 30.300 -0.011 0.000 0.864 72 R HN 0.164 nan 8.270 nan 0.000 0.440 73 A N 1.616 124.407 122.820 -0.050 0.000 1.898 73 A HA -0.114 4.110 4.320 -0.160 0.000 0.216 73 A C 2.548 180.114 177.584 -0.030 0.000 1.181 73 A CA 2.330 54.343 52.037 -0.039 0.000 0.620 73 A CB -0.806 18.163 19.000 -0.052 0.000 0.819 73 A HN 0.543 nan 8.150 nan 0.000 0.442 74 K N 0.107 120.484 120.400 -0.038 0.000 2.152 74 K HA -0.147 4.076 4.320 -0.160 0.000 0.206 74 K C 1.361 177.951 176.600 -0.016 0.000 1.048 74 K CA 1.822 58.091 56.287 -0.030 0.000 0.933 74 K CB -0.943 31.535 32.500 -0.038 0.000 0.721 74 K HN 0.585 nan 8.250 nan 0.000 0.447 75 N N -0.444 118.250 118.700 -0.010 0.000 2.370 75 N HA 0.150 4.793 4.740 -0.160 0.000 0.198 75 N C 0.980 176.495 175.510 0.009 0.000 1.156 75 N CA 0.721 53.773 53.050 0.004 0.000 0.839 75 N CB 0.523 39.021 38.487 0.018 0.000 0.989 75 N HN 0.630 nan 8.380 nan 0.000 0.468 76 G N 0.944 109.746 108.800 0.004 0.000 2.198 76 G HA2 -0.289 3.575 3.960 -0.160 0.000 0.260 76 G HA3 -0.289 3.575 3.960 -0.160 0.000 0.260 76 G C -0.027 174.883 174.900 0.017 0.000 1.025 76 G CA -0.192 44.913 45.100 0.008 0.000 0.769 76 G HN 0.379 nan 8.290 nan 0.000 0.507 77 I N 1.598 122.180 120.570 0.020 0.000 2.322 77 I HA 0.339 4.413 4.170 -0.160 0.000 0.292 77 I C 1.507 177.635 176.117 0.018 0.000 1.060 77 I CA 0.562 61.881 61.300 0.031 0.000 1.309 77 I CB 1.134 39.166 38.000 0.053 0.000 1.415 77 I HN 0.254 nan 8.210 nan 0.000 0.492 78 T N 0.610 115.178 114.554 0.023 0.000 3.043 78 T HA 0.259 4.512 4.350 -0.160 0.000 0.272 78 T C 0.783 175.493 174.700 0.016 0.000 0.990 78 T CA -0.181 61.928 62.100 0.014 0.000 0.897 78 T CB 0.339 69.217 68.868 0.018 0.000 1.111 78 T HN 0.551 nan 8.240 nan 0.000 0.529 79 G N 2.690 111.503 108.800 0.022 0.000 2.494 79 G HA2 0.603 4.467 3.960 -0.160 0.000 0.270 79 G HA3 0.603 4.467 3.960 -0.160 0.000 0.270 79 G C -2.542 172.303 174.900 -0.090 0.000 1.423 79 G CA -1.447 43.653 45.100 0.000 0.000 1.055 79 G HN 0.255 nan 8.290 nan 0.000 0.536 80 P HA 0.253 nan 4.420 nan 0.000 0.276 80 P C -0.920 176.220 177.300 -0.265 0.000 1.252 80 P CA -0.374 62.560 63.100 -0.277 0.000 0.802 80 P CB 1.461 32.891 31.700 -0.451 0.000 1.035 81 C N 3.238 122.411 119.300 -0.211 0.000 2.264 81 C HA 0.433 4.797 4.460 -0.160 0.000 0.324 81 C C -0.372 174.533 174.990 -0.142 0.000 1.267 81 C CA -0.582 58.379 59.018 -0.095 0.000 1.618 81 C CB -1.857 25.877 27.740 -0.009 0.000 2.278 81 C HN 0.407 nan 8.230 nan 0.000 0.499 82 Y N 4.667 124.964 120.300 -0.004 0.000 2.480 82 Y HA 0.360 4.814 4.550 -0.159 0.000 0.341 82 Y C 0.596 176.536 175.900 0.067 0.000 1.031 82 Y CA 0.248 58.361 58.100 0.021 0.000 1.295 82 Y CB 0.620 39.080 38.460 0.000 0.000 1.162 82 Y HN 0.446 nan 8.280 nan 0.000 0.523 83 V N 4.292 124.340 119.914 0.224 0.000 2.313 83 V HA 0.602 4.626 4.120 -0.160 0.000 0.278 83 V C 0.438 176.719 176.094 0.311 0.000 1.017 83 V CA -0.726 61.729 62.300 0.258 0.000 0.823 83 V CB 1.086 33.045 31.823 0.228 0.000 1.010 83 V HN 0.906 nan 8.190 nan 0.000 0.443 84 G N 4.344 113.278 108.800 0.224 0.000 2.432 84 G HA2 0.774 4.637 3.960 -0.160 0.000 0.331 84 G HA3 0.774 4.637 3.960 -0.160 0.000 0.331 84 G C -0.843 174.128 174.900 0.118 0.000 1.170 84 G CA -0.743 44.436 45.100 0.131 0.000 0.943 84 G HN 0.742 nan 8.290 nan 0.000 0.483 85 K N 0.265 120.687 120.400 0.037 0.000 2.435 85 K HA 0.581 4.805 4.320 -0.160 0.000 0.251 85 K C -1.167 175.540 176.600 0.179 0.000 0.954 85 K CA -0.911 55.426 56.287 0.084 0.000 0.820 85 K CB 2.584 35.066 32.500 -0.029 0.000 1.292 85 K HN 0.517 nan 8.250 nan 0.000 0.436 86 D N 0.372 120.882 120.400 0.183 0.000 2.539 86 D HA 0.050 4.594 4.640 -0.160 0.000 0.280 86 D C 0.566 176.925 176.300 0.098 0.000 1.208 86 D CA -0.270 53.822 54.000 0.153 0.000 1.088 86 D CB 0.628 41.519 40.800 0.152 0.000 1.149 86 D HN 0.654 nan 8.370 nan 0.000 0.596 87 T N -4.152 110.323 114.554 -0.130 0.000 3.144 87 T HA 0.120 4.373 4.350 -0.160 0.000 0.249 87 T C 0.423 175.114 174.700 -0.016 0.000 1.089 87 T CA -0.129 61.732 62.100 -0.398 0.000 0.989 87 T CB -0.866 67.650 68.868 -0.585 0.000 0.992 87 T HN 0.333 nan 8.240 nan 0.000 0.540 88 H N 0.803 119.954 119.070 0.134 0.000 2.790 88 H HA 0.554 5.013 4.556 -0.161 0.000 0.358 88 H C 1.700 177.091 175.328 0.105 0.000 1.103 88 H CA 0.483 56.638 56.048 0.179 0.000 1.426 88 H CB 0.795 30.584 29.762 0.045 0.000 1.424 88 H HN 0.213 nan 8.280 nan 0.000 0.599 89 A N 3.345 126.292 122.820 0.211 0.000 1.892 89 A HA -0.185 4.039 4.320 -0.160 0.000 0.218 89 A C 2.134 179.792 177.584 0.123 0.000 1.188 89 A CA 1.588 53.706 52.037 0.135 0.000 0.631 89 A CB -0.737 18.330 19.000 0.112 0.000 0.822 89 A HN 0.716 nan 8.150 nan 0.000 0.447 90 L N -0.013 121.278 121.223 0.113 0.000 2.465 90 L HA -0.082 4.161 4.340 -0.160 0.000 0.224 90 L C 2.481 179.444 176.870 0.156 0.000 1.145 90 L CA 0.752 55.657 54.840 0.107 0.000 0.834 90 L CB -0.261 41.853 42.059 0.093 0.000 0.944 90 L HN 0.312 nan 8.230 nan 0.000 0.451 91 S N -0.391 115.398 115.700 0.148 0.000 2.419 91 S HA -0.139 4.235 4.470 -0.160 0.000 0.233 91 S C 1.790 176.505 174.600 0.191 0.000 1.016 91 S CA 0.962 59.278 58.200 0.194 0.000 0.974 91 S CB -0.076 63.238 63.200 0.190 0.000 0.786 91 S HN 0.444 nan 8.310 nan 0.000 0.492 92 E N 1.021 121.306 120.200 0.142 0.000 2.028 92 E HA -0.063 4.191 4.350 -0.160 0.000 0.191 92 E C -0.545 176.120 176.600 0.109 0.000 0.988 92 E CA 1.145 57.629 56.400 0.139 0.000 0.799 92 E CB -1.737 28.034 29.700 0.118 0.000 0.755 92 E HN 0.435 nan 8.360 nan 0.000 0.447 93 P HA -0.059 nan 4.420 nan 0.000 0.219 93 P C 1.293 178.397 177.300 -0.327 0.000 1.150 93 P CA 1.613 64.525 63.100 -0.315 0.000 0.814 93 P CB -0.015 31.086 31.700 -0.999 0.000 0.787 94 A N -0.173 122.525 122.820 -0.203 0.000 1.902 94 A HA -0.193 4.031 4.320 -0.160 0.000 0.217 94 A C 2.145 179.836 177.584 0.179 0.000 1.181 94 A CA 1.367 53.462 52.037 0.097 0.000 0.623 94 A CB -1.862 17.339 19.000 0.336 0.000 0.818 94 A HN 0.138 nan 8.150 nan 0.000 0.443 95 F N 0.826 120.815 119.950 0.065 0.000 2.095 95 F HA -0.201 4.230 4.527 -0.160 0.000 0.298 95 F C 1.942 177.775 175.800 0.054 0.000 1.104 95 F CA 1.886 59.928 58.000 0.069 0.000 1.232 95 F CB -0.310 38.731 39.000 0.067 0.000 0.987 95 F HN 0.196 nan 8.300 nan 0.000 0.475 96 I N -0.527 120.065 120.570 0.037 0.000 2.226 96 I HA -0.327 3.747 4.170 -0.160 0.000 0.245 96 I C 2.467 178.557 176.117 -0.046 0.000 1.100 96 I CA 1.489 62.756 61.300 -0.055 0.000 1.374 96 I CB -0.794 37.261 38.000 0.091 0.000 1.057 96 I HN 0.077 nan 8.210 nan 0.000 0.413 97 S N 0.369 116.093 115.700 0.040 0.000 2.370 97 S HA -0.148 4.226 4.470 -0.160 0.000 0.226 97 S C 2.112 176.698 174.600 -0.024 0.000 1.033 97 S CA 1.278 59.507 58.200 0.049 0.000 1.011 97 S CB -0.340 62.934 63.200 0.124 0.000 0.852 97 S HN 0.230 nan 8.310 nan 0.000 0.457 98 V N 2.260 122.147 119.914 -0.046 0.000 2.343 98 V HA -0.135 3.889 4.120 -0.160 0.000 0.247 98 V C 2.186 178.195 176.094 -0.141 0.000 1.051 98 V CA 1.396 63.653 62.300 -0.073 0.000 1.036 98 V CB -0.708 31.100 31.823 -0.025 0.000 0.654 98 V HN 0.439 nan 8.190 nan 0.000 0.451 99 L N -0.396 120.677 121.223 -0.249 0.000 2.046 99 L HA -0.209 4.035 4.340 -0.160 0.000 0.208 99 L C 2.582 179.368 176.870 -0.140 0.000 1.077 99 L CA 1.854 56.544 54.840 -0.249 0.000 0.747 99 L CB -0.800 41.040 42.059 -0.364 0.000 0.896 99 L HN 0.419 nan 8.230 nan 0.000 0.432 100 E N -0.258 119.880 120.200 -0.104 0.000 2.085 100 E HA -0.197 4.056 4.350 -0.160 0.000 0.194 100 E C 2.256 178.819 176.600 -0.063 0.000 0.994 100 E CA 1.379 57.743 56.400 -0.059 0.000 0.801 100 E CB -0.043 29.642 29.700 -0.025 0.000 0.743 100 E HN 0.277 nan 8.360 nan 0.000 0.453 101 V N 1.261 121.132 119.914 -0.072 0.000 2.346 101 V HA -0.197 3.827 4.120 -0.160 0.000 0.244 101 V C 2.288 178.322 176.094 -0.100 0.000 1.037 101 V CA 1.200 63.453 62.300 -0.079 0.000 1.029 101 V CB -0.375 31.400 31.823 -0.080 0.000 0.663 101 V HN 0.247 nan 8.190 nan 0.000 0.454 102 L N 0.324 121.482 121.223 -0.109 0.000 2.017 102 L HA -0.171 4.073 4.340 -0.160 0.000 0.208 102 L C 2.760 179.528 176.870 -0.170 0.000 1.073 102 L CA 1.740 56.502 54.840 -0.129 0.000 0.745 102 L CB -0.896 41.094 42.059 -0.115 0.000 0.894 102 L HN 0.375 nan 8.230 nan 0.000 0.432 103 A N 0.061 122.797 122.820 -0.140 0.000 1.933 103 A HA -0.143 4.080 4.320 -0.160 0.000 0.218 103 A C 2.521 180.015 177.584 -0.149 0.000 1.175 103 A CA 1.655 53.605 52.037 -0.145 0.000 0.628 103 A CB -0.607 18.386 19.000 -0.012 0.000 0.814 103 A HN 0.415 nan 8.150 nan 0.000 0.444 104 A N -0.052 122.709 122.820 -0.099 0.000 1.972 104 A HA -0.143 4.081 4.320 -0.160 0.000 0.219 104 A C 1.771 179.293 177.584 -0.104 0.000 1.169 104 A CA 1.391 53.383 52.037 -0.076 0.000 0.635 104 A CB -0.519 18.446 19.000 -0.058 0.000 0.810 104 A HN 0.589 nan 8.150 nan 0.000 0.446 105 N N -0.641 117.976 118.700 -0.139 0.000 2.461 105 N HA 0.088 4.732 4.740 -0.160 0.000 0.188 105 N C 0.970 176.366 175.510 -0.190 0.000 1.134 105 N CA 0.834 53.800 53.050 -0.140 0.000 0.878 105 N CB 0.216 38.625 38.487 -0.129 0.000 0.972 105 N HN 0.624 nan 8.380 nan 0.000 0.456 106 G N 0.595 109.205 108.800 -0.316 0.000 2.143 106 G HA2 -0.249 3.615 3.960 -0.160 0.000 0.248 106 G HA3 -0.249 3.615 3.960 -0.160 0.000 0.248 106 G C -0.001 174.561 174.900 -0.564 0.000 0.991 106 G CA -0.056 44.747 45.100 -0.495 0.000 0.689 106 G HN 0.164 nan 8.290 nan 0.000 0.522 107 V N 1.356 120.991 119.914 -0.466 0.000 2.498 107 V HA 0.336 4.360 4.120 -0.160 0.000 0.279 107 V C 0.243 176.200 176.094 -0.228 0.000 1.048 107 V CA -0.848 61.294 62.300 -0.263 0.000 0.967 107 V CB 1.517 33.239 31.823 -0.170 0.000 0.988 107 V HN 0.280 nan 8.190 nan 0.000 0.473 108 D N 3.621 123.977 120.400 -0.072 0.000 2.348 108 D HA 0.310 4.854 4.640 -0.160 0.000 0.253 108 D C -0.325 175.929 176.300 -0.078 0.000 1.161 108 D CA 0.137 54.145 54.000 0.014 0.000 0.876 108 D CB 1.852 42.670 40.800 0.029 0.000 1.160 108 D HN 0.235 nan 8.370 nan 0.000 0.459 109 V N 3.743 123.619 119.914 -0.063 0.000 2.513 109 V HA 0.436 4.459 4.120 -0.160 0.000 0.299 109 V C 0.447 176.473 176.094 -0.114 0.000 1.035 109 V CA -0.802 61.440 62.300 -0.097 0.000 0.889 109 V CB 1.852 33.631 31.823 -0.072 0.000 0.988 109 V HN 0.352 nan 8.190 nan 0.000 0.440 110 I N 5.114 125.572 120.570 -0.186 0.000 2.406 110 I HA 0.636 4.710 4.170 -0.160 0.000 0.290 110 I C -0.369 175.766 176.117 0.031 0.000 0.999 110 I CA -0.766 60.444 61.300 -0.150 0.000 1.124 110 I CB 1.938 39.687 38.000 -0.418 0.000 1.289 110 I HN 0.549 nan 8.210 nan 0.000 0.441 111 V N 2.593 122.568 119.914 0.101 0.000 3.074 111 V HA 0.551 4.575 4.120 -0.160 0.000 0.314 111 V C -0.507 175.662 176.094 0.125 0.000 1.117 111 V CA -0.960 61.453 62.300 0.189 0.000 1.014 111 V CB 1.771 33.789 31.823 0.326 0.000 1.057 111 V HN 0.739 nan 8.190 nan 0.000 0.438 112 Q N 2.347 122.195 119.800 0.080 0.000 2.297 112 Q HA 0.228 4.472 4.340 -0.160 0.000 0.267 112 Q C 0.378 176.364 176.000 -0.023 0.000 1.006 112 Q CA 0.395 56.204 55.803 0.009 0.000 0.896 112 Q CB 0.571 29.281 28.738 -0.046 0.000 1.186 112 Q HN 0.973 nan 8.270 nan 0.000 0.392 113 E N 3.684 123.873 120.200 -0.018 0.000 2.438 113 E HA -0.096 4.158 4.350 -0.160 0.000 0.261 113 E C -0.482 176.078 176.600 -0.067 0.000 1.103 113 E CA -0.005 56.379 56.400 -0.025 0.000 0.959 113 E CB 0.235 29.925 29.700 -0.018 0.000 0.958 113 E HN 0.728 nan 8.360 nan 0.000 0.447 114 N N 1.355 120.022 118.700 -0.056 0.000 2.735 114 N HA -0.276 4.367 4.740 -0.160 0.000 0.248 114 N C -0.474 174.949 175.510 -0.146 0.000 1.083 114 N CA 1.273 54.276 53.050 -0.077 0.000 0.703 114 N CB -1.821 36.623 38.487 -0.070 0.000 1.005 114 N HN 0.890 nan 8.380 nan 0.000 0.550 115 N N -1.517 117.087 118.700 -0.159 0.000 2.721 115 N HA -0.176 4.468 4.740 -0.160 0.000 0.249 115 N C 0.562 175.733 175.510 -0.565 0.000 1.072 115 N CA 1.282 54.158 53.050 -0.290 0.000 0.710 115 N CB -0.899 37.464 38.487 -0.208 0.000 0.993 115 N HN 0.666 nan 8.380 nan 0.000 0.547 116 G N -1.051 107.461 108.800 -0.479 0.000 2.621 116 G HA2 0.466 4.329 3.960 -0.160 0.000 0.271 116 G HA3 0.466 4.329 3.960 -0.160 0.000 0.271 116 G C -0.240 174.208 174.900 -0.752 0.000 1.236 116 G CA -0.451 44.288 45.100 -0.602 0.000 0.958 116 G HN 0.163 nan 8.290 nan 0.000 0.512 117 F N -1.266 118.635 119.950 -0.081 0.000 2.470 117 F HA 0.590 5.021 4.527 -0.160 0.000 0.329 117 F C 0.611 176.374 175.800 -0.062 0.000 1.072 117 F CA -0.598 57.346 58.000 -0.092 0.000 0.989 117 F CB 2.509 41.460 39.000 -0.081 0.000 1.193 117 F HN 0.202 nan 8.300 nan 0.000 0.481 118 T N 2.867 117.467 114.554 0.078 0.000 2.949 118 T HA 0.369 4.623 4.350 -0.160 0.000 0.300 118 T C -2.831 171.762 174.700 -0.178 0.000 0.988 118 T CA -1.493 60.579 62.100 -0.047 0.000 0.993 118 T CB 1.842 70.707 68.868 -0.004 0.000 0.984 118 T HN 0.108 nan 8.240 nan 0.000 0.442 119 P HA 0.135 nan 4.420 nan 0.000 0.267 119 P C 1.065 178.219 177.300 -0.243 0.000 1.200 119 P CA 0.003 62.873 63.100 -0.385 0.000 0.772 119 P CB 0.415 31.703 31.700 -0.687 0.000 0.855 120 T N 3.983 118.463 114.554 -0.123 0.000 2.653 120 T HA -0.118 4.136 4.350 -0.160 0.000 0.268 120 T C -0.746 173.887 174.700 -0.111 0.000 1.035 120 T CA 2.201 64.248 62.100 -0.088 0.000 1.154 120 T CB -1.655 67.180 68.868 -0.055 0.000 0.862 120 T HN 0.588 nan 8.240 nan 0.000 0.441 121 P HA 0.102 nan 4.420 nan 0.000 0.223 121 P C 1.226 178.493 177.300 -0.056 0.000 1.151 121 P CA 0.997 64.070 63.100 -0.045 0.000 0.787 121 P CB -0.107 31.639 31.700 0.076 0.000 0.788 122 A N 0.025 122.670 122.820 -0.290 0.000 1.968 122 A HA -0.049 4.175 4.320 -0.160 0.000 0.217 122 A C 2.376 179.857 177.584 -0.172 0.000 1.169 122 A CA 1.248 53.102 52.037 -0.305 0.000 0.638 122 A CB -1.458 17.185 19.000 -0.595 0.000 0.812 122 A HN 0.043 nan 8.150 nan 0.000 0.446 123 V N -0.643 119.173 119.914 -0.163 0.000 2.307 123 V HA -0.199 3.825 4.120 -0.160 0.000 0.245 123 V C 2.768 178.752 176.094 -0.185 0.000 1.045 123 V CA 2.212 64.425 62.300 -0.146 0.000 1.024 123 V CB -0.875 30.918 31.823 -0.050 0.000 0.651 123 V HN 0.634 nan 8.190 nan 0.000 0.449 124 S N 0.240 115.856 115.700 -0.140 0.000 2.359 124 S HA -0.312 4.062 4.470 -0.160 0.000 0.223 124 S C 2.111 176.590 174.600 -0.202 0.000 1.039 124 S CA 2.273 60.393 58.200 -0.134 0.000 1.042 124 S CB -0.706 62.441 63.200 -0.089 0.000 0.915 124 S HN 0.700 nan 8.310 nan 0.000 0.439 125 N N 0.815 119.352 118.700 -0.271 0.000 2.104 125 N HA -0.144 4.500 4.740 -0.160 0.000 0.190 125 N C 1.904 177.197 175.510 -0.363 0.000 1.024 125 N CA 1.505 54.287 53.050 -0.447 0.000 0.853 125 N CB -0.445 37.658 38.487 -0.641 0.000 1.008 125 N HN 0.488 nan 8.380 nan 0.000 0.424 126 A N 1.377 123.974 122.820 -0.373 0.000 1.902 126 A HA -0.080 4.144 4.320 -0.160 0.000 0.217 126 A C 2.332 179.598 177.584 -0.530 0.000 1.181 126 A CA 0.898 52.604 52.037 -0.551 0.000 0.623 126 A CB -0.609 17.804 19.000 -0.979 0.000 0.818 126 A HN 0.363 nan 8.150 nan 0.000 0.443 127 I N -0.440 119.878 120.570 -0.419 0.000 2.163 127 I HA -0.289 3.785 4.170 -0.160 0.000 0.243 127 I C 2.441 178.564 176.117 0.010 0.000 1.085 127 I CA 1.323 62.556 61.300 -0.112 0.000 1.347 127 I CB -0.335 37.632 38.000 -0.055 0.000 1.044 127 I HN 0.301 nan 8.210 nan 0.000 0.408 128 L N -0.279 120.915 121.223 -0.048 0.000 2.056 128 L HA -0.179 4.065 4.340 -0.160 0.000 0.207 128 L C 2.576 179.442 176.870 -0.007 0.000 1.078 128 L CA 0.952 55.797 54.840 0.008 0.000 0.749 128 L CB -0.506 41.523 42.059 -0.050 0.000 0.901 128 L HN 0.078 nan 8.230 nan 0.000 0.433 129 V N -0.723 119.148 119.914 -0.071 0.000 2.343 129 V HA -0.341 3.683 4.120 -0.160 0.000 0.247 129 V C 2.529 178.641 176.094 0.030 0.000 1.051 129 V CA 1.931 64.203 62.300 -0.046 0.000 1.036 129 V CB -0.842 30.927 31.823 -0.091 0.000 0.654 129 V HN 0.538 nan 8.190 nan 0.000 0.451 130 H N 0.808 119.881 119.070 0.005 0.000 2.319 130 H HA -0.151 4.308 4.556 -0.161 0.000 0.299 130 H C 2.178 177.551 175.328 0.074 0.000 1.092 130 H CA 2.102 58.201 56.048 0.086 0.000 1.302 130 H CB 0.005 29.894 29.762 0.212 0.000 1.373 130 H HN 0.385 nan 8.280 nan 0.000 0.497 131 N N 0.521 119.351 118.700 0.216 0.000 2.331 131 N HA -0.100 4.544 4.740 -0.160 0.000 0.180 131 N C 2.178 177.732 175.510 0.072 0.000 1.019 131 N CA 1.533 54.686 53.050 0.171 0.000 0.881 131 N CB -0.352 38.262 38.487 0.212 0.000 0.972 131 N HN 0.502 nan 8.380 nan 0.000 0.435 132 K N 1.333 121.754 120.400 0.034 0.000 2.280 132 K HA -0.073 4.151 4.320 -0.160 0.000 0.202 132 K C 2.157 178.745 176.600 -0.021 0.000 1.047 132 K CA 1.806 58.093 56.287 -0.001 0.000 0.942 132 K CB -1.285 31.204 32.500 -0.018 0.000 0.739 132 K HN 0.492 nan 8.250 nan 0.000 0.457 133 K N -0.468 119.898 120.400 -0.056 0.000 2.365 133 K HA 0.280 4.504 4.320 -0.160 0.000 0.199 133 K C 1.922 178.488 176.600 -0.058 0.000 1.045 133 K CA 1.199 57.440 56.287 -0.077 0.000 0.962 133 K CB -1.036 31.378 32.500 -0.143 0.000 0.759 133 K HN 1.650 nan 8.250 nan 0.000 0.469 134 G N -1.101 107.678 108.800 -0.035 0.000 2.149 134 G HA2 -0.041 3.823 3.960 -0.160 0.000 0.235 134 G HA3 -0.041 3.823 3.960 -0.160 0.000 0.235 134 G C 0.691 175.592 174.900 0.002 0.000 1.018 134 G CA 0.624 45.723 45.100 -0.001 0.000 0.728 134 G HN 1.270 nan 8.290 nan 0.000 0.508 135 G N -0.301 108.493 108.800 -0.009 0.000 2.782 135 G HA2 0.760 4.624 3.960 -0.160 0.000 0.201 135 G HA3 0.760 4.624 3.960 -0.160 0.000 0.201 135 G C -1.940 173.007 174.900 0.078 0.000 1.374 135 G CA -0.601 44.514 45.100 0.024 0.000 1.039 135 G HN 0.281 nan 8.290 nan 0.000 0.576 136 P HA 0.202 nan 4.420 nan 0.000 0.266 136 P C -0.349 177.060 177.300 0.182 0.000 1.195 136 P CA -0.009 63.161 63.100 0.116 0.000 0.768 136 P CB 0.506 32.265 31.700 0.098 0.000 0.838 137 L N 1.556 122.857 121.223 0.130 0.000 2.380 137 L HA 0.418 4.662 4.340 -0.160 0.000 0.273 137 L C 0.843 177.768 176.870 0.092 0.000 1.138 137 L CA -0.538 54.387 54.840 0.142 0.000 0.832 137 L CB 0.471 42.585 42.059 0.091 0.000 1.124 137 L HN 0.417 nan 8.230 nan 0.000 0.454 138 A N 2.455 125.330 122.820 0.090 0.000 2.279 138 A HA 0.639 4.862 4.320 -0.160 0.000 0.303 138 A C -0.719 176.898 177.584 0.055 0.000 1.108 138 A CA -0.488 51.531 52.037 -0.031 0.000 0.830 138 A CB 0.836 19.745 19.000 -0.152 0.000 1.106 138 A HN 0.806 nan 8.150 nan 0.000 0.493 139 D N -0.859 119.580 120.400 0.065 0.000 2.867 139 D HA 0.753 5.296 4.640 -0.160 0.000 0.308 139 D C -0.164 176.203 176.300 0.112 0.000 1.202 139 D CA 0.031 54.062 54.000 0.051 0.000 1.035 139 D CB 0.860 41.701 40.800 0.069 0.000 1.427 139 D HN 0.981 nan 8.370 nan 0.000 0.570 140 G N -1.341 107.487 108.800 0.046 0.000 2.677 140 G HA2 0.591 4.455 3.960 -0.160 0.000 0.291 140 G HA3 0.591 4.455 3.960 -0.160 0.000 0.291 140 G C -1.596 173.393 174.900 0.149 0.000 1.435 140 G CA -0.852 44.323 45.100 0.125 0.000 0.826 140 G HN 0.462 nan 8.290 nan 0.000 0.491 141 I N 0.465 121.152 120.570 0.196 0.000 2.498 141 I HA 0.445 4.519 4.170 -0.160 0.000 0.290 141 I C -0.604 175.623 176.117 0.184 0.000 1.032 141 I CA -1.109 60.329 61.300 0.231 0.000 1.073 141 I CB 2.451 40.596 38.000 0.242 0.000 1.251 141 I HN 0.159 nan 8.210 nan 0.000 0.426 142 V N 7.118 127.129 119.914 0.163 0.000 2.384 142 V HA 0.424 4.448 4.120 -0.160 0.000 0.287 142 V C 0.008 176.195 176.094 0.154 0.000 1.020 142 V CA -0.467 61.910 62.300 0.127 0.000 0.850 142 V CB 1.684 33.544 31.823 0.062 0.000 0.987 142 V HN 0.470 nan 8.190 nan 0.000 0.436 143 I N 4.634 125.308 120.570 0.173 0.000 2.310 143 I HA 0.527 4.600 4.170 -0.160 0.000 0.287 143 I C 0.143 176.336 176.117 0.128 0.000 1.073 143 I CA 0.362 61.782 61.300 0.200 0.000 1.216 143 I CB 1.066 39.231 38.000 0.274 0.000 1.415 143 I HN 0.719 nan 8.210 nan 0.000 0.480 144 T N 6.656 121.245 114.554 0.058 0.000 3.087 144 T HA 0.369 4.623 4.350 -0.160 0.000 0.351 144 T C -2.721 171.879 174.700 -0.168 0.000 1.520 144 T CA -0.820 61.259 62.100 -0.035 0.000 1.111 144 T CB 2.178 71.053 68.868 0.011 0.000 1.353 144 T HN 0.278 nan 8.240 nan 0.000 0.481 145 P HA 0.318 nan 4.420 nan 0.000 0.274 145 P C 0.649 177.731 177.300 -0.363 0.000 1.673 145 P CA 0.103 62.958 63.100 -0.410 0.000 1.193 145 P CB 0.084 31.423 31.700 -0.602 0.000 1.571 146 S N 2.180 117.750 115.700 -0.217 0.000 4.059 146 S HA -0.275 4.099 4.470 -0.160 0.000 0.624 146 S C 1.107 175.662 174.600 -0.076 0.000 2.019 146 S CA 1.899 60.027 58.200 -0.119 0.000 4.197 146 S CB -1.971 61.125 63.200 -0.175 0.000 0.215 146 S HN 0.631 nan 8.310 nan 0.000 0.609 147 H N 1.640 120.680 119.070 -0.050 0.000 2.526 147 H HA 0.543 5.003 4.556 -0.160 0.000 0.274 147 H C 0.536 175.813 175.328 -0.085 0.000 0.999 147 H CA 0.134 56.150 56.048 -0.054 0.000 1.157 147 H CB -0.727 28.999 29.762 -0.059 0.000 1.407 147 H HN 0.267 nan 8.280 nan 0.000 0.568 148 N N 2.529 121.062 118.700 -0.279 0.000 2.265 148 N HA 0.001 4.644 4.740 -0.160 0.000 0.231 148 N C -2.300 173.162 175.510 -0.080 0.000 1.266 148 N CA -1.138 51.786 53.050 -0.209 0.000 0.862 148 N CB 0.146 38.448 38.487 -0.308 0.000 1.100 148 N HN 0.250 nan 8.380 nan 0.000 0.439 149 P HA 0.067 nan 4.420 nan 0.000 0.270 149 P C -1.679 175.606 177.300 -0.026 0.000 1.227 149 P CA -0.744 62.304 63.100 -0.086 0.000 0.788 149 P CB 0.076 31.731 31.700 -0.075 0.000 0.926 150 P HA -0.200 nan 4.420 nan 0.000 0.218 150 P C 1.162 178.541 177.300 0.132 0.000 1.146 150 P CA 1.425 64.558 63.100 0.056 0.000 0.813 150 P CB -0.287 31.476 31.700 0.106 0.000 0.778 151 E N -0.946 119.281 120.200 0.046 0.000 2.481 151 E HA -0.037 4.217 4.350 -0.160 0.000 0.195 151 E C -0.176 176.406 176.600 -0.030 0.000 1.047 151 E CA 0.625 57.040 56.400 0.024 0.000 0.867 151 E CB -0.530 29.173 29.700 0.005 0.000 0.858 151 E HN 0.200 nan 8.360 nan 0.000 0.513 152 D N 0.801 121.148 120.400 -0.088 0.000 2.253 152 D HA 0.531 5.075 4.640 -0.160 0.000 0.249 152 D C -0.134 175.876 176.300 -0.484 0.000 1.049 152 D CA -0.052 53.786 54.000 -0.269 0.000 0.929 152 D CB 1.596 42.213 40.800 -0.305 0.000 1.176 152 D HN 0.180 nan 8.370 nan 0.000 0.437 153 G N -1.256 107.047 108.800 -0.829 0.000 2.533 153 G HA2 0.693 4.557 3.960 -0.160 0.000 0.304 153 G HA3 0.693 4.557 3.960 -0.160 0.000 0.304 153 G C -0.692 173.422 174.900 -1.310 0.000 1.263 153 G CA -0.810 43.397 45.100 -1.489 0.000 0.964 153 G HN 0.500 nan 8.290 nan 0.000 0.479 154 G N -1.009 107.346 108.800 -0.742 0.000 2.690 154 G HA2 0.653 4.517 3.960 -0.160 0.000 0.293 154 G HA3 0.653 4.517 3.960 -0.160 0.000 0.293 154 G C -1.769 173.282 174.900 0.250 0.000 1.399 154 G CA -0.589 44.438 45.100 -0.122 0.000 0.890 154 G HN 1.011 nan 8.290 nan 0.000 0.485 155 I N 0.211 120.984 120.570 0.339 0.000 2.722 155 I HA 0.669 4.743 4.170 -0.160 0.000 0.292 155 I C -1.242 175.041 176.117 0.276 0.000 1.267 155 I CA -0.945 60.563 61.300 0.347 0.000 1.036 155 I CB 2.210 40.472 38.000 0.437 0.000 1.281 155 I HN 0.763 nan 8.210 nan 0.000 0.423 156 K N 5.185 125.722 120.400 0.228 0.000 2.509 156 K HA 0.427 4.651 4.320 -0.160 0.000 0.266 156 K C -2.218 174.576 176.600 0.323 0.000 0.987 156 K CA -0.825 55.552 56.287 0.149 0.000 0.868 156 K CB 2.275 34.753 32.500 -0.037 0.000 1.421 156 K HN 0.475 nan 8.250 nan 0.000 0.444 157 Y N 1.068 121.496 120.300 0.213 0.000 2.364 157 Y HA 0.406 4.860 4.550 -0.160 0.000 0.340 157 Y C -1.316 174.643 175.900 0.098 0.000 0.975 157 Y CA -0.975 57.245 58.100 0.201 0.000 1.089 157 Y CB 1.876 40.514 38.460 0.297 0.000 1.192 157 Y HN 0.688 nan 8.280 nan 0.000 0.454 158 N N 8.874 127.264 118.700 -0.516 0.000 2.476 158 N HA 0.309 4.953 4.740 -0.160 0.000 0.257 158 N C -2.808 172.191 175.510 -0.851 0.000 0.970 158 N CA -1.559 51.179 53.050 -0.520 0.000 0.938 158 N CB 1.946 40.296 38.487 -0.228 0.000 1.144 158 N HN 0.393 nan 8.380 nan 0.000 0.500 159 P HA 0.161 nan 4.420 nan 0.000 0.282 159 P C -1.943 175.212 177.300 -0.242 0.000 1.286 159 P CA -0.931 61.887 63.100 -0.470 0.000 0.777 159 P CB 0.201 31.775 31.700 -0.210 0.000 1.184 160 P HA -0.130 nan 4.420 nan 0.000 0.225 160 P C 0.709 177.919 177.300 -0.150 0.000 1.148 160 P CA 1.253 64.303 63.100 -0.083 0.000 0.779 160 P CB -0.575 31.103 31.700 -0.036 0.000 0.780 161 N N -0.876 117.633 118.700 -0.318 0.000 2.521 161 N HA 0.001 4.645 4.740 -0.160 0.000 0.188 161 N C 1.342 176.763 175.510 -0.149 0.000 1.146 161 N CA 1.092 53.817 53.050 -0.543 0.000 0.893 161 N CB -1.217 36.782 38.487 -0.815 0.000 0.975 161 N HN 0.164 nan 8.380 nan 0.000 0.451 162 G N -2.181 106.553 108.800 -0.109 0.000 2.199 162 G HA2 -0.175 3.689 3.960 -0.160 0.000 0.254 162 G HA3 -0.175 3.689 3.960 -0.160 0.000 0.254 162 G C 0.300 175.164 174.900 -0.060 0.000 0.982 162 G CA 0.217 45.282 45.100 -0.058 0.000 0.632 162 G HN 0.850 nan 8.290 nan 0.000 0.529 163 G N -0.182 108.578 108.800 -0.066 0.000 2.601 163 G HA2 0.773 4.637 3.960 -0.160 0.000 0.317 163 G HA3 0.773 4.637 3.960 -0.160 0.000 0.317 163 G C -2.582 172.282 174.900 -0.060 0.000 1.246 163 G CA -1.042 44.051 45.100 -0.011 0.000 1.012 163 G HN 0.156 nan 8.290 nan 0.000 0.494 164 P HA 0.229 nan 4.420 nan 0.000 0.265 164 P C 0.062 177.312 177.300 -0.083 0.000 1.193 164 P CA 0.043 63.114 63.100 -0.049 0.000 0.765 164 P CB 0.647 32.339 31.700 -0.013 0.000 0.823 165 A N 3.296 126.076 122.820 -0.066 0.000 2.477 165 A HA 0.212 4.436 4.320 -0.160 0.000 0.246 165 A C 0.577 178.122 177.584 -0.064 0.000 1.078 165 A CA -0.211 51.815 52.037 -0.019 0.000 0.770 165 A CB -0.394 18.709 19.000 0.172 0.000 1.011 165 A HN 0.636 nan 8.150 nan 0.000 0.494 166 D N 1.194 121.538 120.400 -0.092 0.000 2.433 166 D HA 0.209 4.753 4.640 -0.160 0.000 0.255 166 D C 1.005 177.250 176.300 -0.092 0.000 1.226 166 D CA 0.273 54.168 54.000 -0.174 0.000 1.015 166 D CB -0.276 40.394 40.800 -0.217 0.000 1.091 166 D HN 0.278 nan 8.370 nan 0.000 0.527 167 T N -0.320 114.161 114.554 -0.122 0.000 2.759 167 T HA -0.146 4.108 4.350 -0.160 0.000 0.269 167 T C 1.374 176.079 174.700 0.009 0.000 1.042 167 T CA 1.396 63.473 62.100 -0.038 0.000 1.140 167 T CB -0.411 68.442 68.868 -0.026 0.000 0.864 167 T HN 0.369 nan 8.240 nan 0.000 0.455 168 N N 0.736 119.435 118.700 -0.001 0.000 2.149 168 N HA -0.065 4.579 4.740 -0.160 0.000 0.188 168 N C 1.858 177.388 175.510 0.033 0.000 1.019 168 N CA 0.745 53.805 53.050 0.017 0.000 0.857 168 N CB -0.621 37.872 38.487 0.009 0.000 0.997 168 N HN 0.245 nan 8.380 nan 0.000 0.426 169 V N 0.734 120.679 119.914 0.051 0.000 2.346 169 V HA -0.153 3.871 4.120 -0.160 0.000 0.244 169 V C 2.499 178.672 176.094 0.131 0.000 1.037 169 V CA 2.052 64.406 62.300 0.091 0.000 1.029 169 V CB -1.126 30.789 31.823 0.153 0.000 0.663 169 V HN 0.498 nan 8.190 nan 0.000 0.454 170 T N -0.875 113.788 114.554 0.181 0.000 2.821 170 T HA -0.166 4.088 4.350 -0.160 0.000 0.267 170 T C 2.037 176.881 174.700 0.239 0.000 1.046 170 T CA 1.964 64.261 62.100 0.328 0.000 1.139 170 T CB -0.496 68.528 68.868 0.260 0.000 0.871 170 T HN 0.503 nan 8.240 nan 0.000 0.454 171 K N 1.241 121.717 120.400 0.126 0.000 2.057 171 K HA 0.102 4.326 4.320 -0.160 0.000 0.207 171 K C 2.575 179.202 176.600 0.045 0.000 1.049 171 K CA 1.612 57.950 56.287 0.084 0.000 0.931 171 K CB -1.456 31.077 32.500 0.056 0.000 0.714 171 K HN 0.419 nan 8.250 nan 0.000 0.440 172 V N 0.887 120.814 119.914 0.023 0.000 2.358 172 V HA -0.208 3.816 4.120 -0.160 0.000 0.246 172 V C 2.510 178.561 176.094 -0.071 0.000 1.047 172 V CA 1.617 63.904 62.300 -0.021 0.000 1.035 172 V CB -0.106 31.702 31.823 -0.025 0.000 0.658 172 V HN 0.391 nan 8.190 nan 0.000 0.452 173 V N 0.151 120.003 119.914 -0.102 0.000 2.295 173 V HA -0.308 3.716 4.120 -0.160 0.000 0.246 173 V C 2.465 178.406 176.094 -0.255 0.000 1.049 173 V CA 2.428 64.566 62.300 -0.271 0.000 1.024 173 V CB -0.599 30.912 31.823 -0.520 0.000 0.648 173 V HN 0.688 nan 8.190 nan 0.000 0.447 174 E N 0.081 120.223 120.200 -0.098 0.000 2.058 174 E HA -0.286 3.967 4.350 -0.160 0.000 0.194 174 E C 1.899 178.482 176.600 -0.028 0.000 0.997 174 E CA 1.764 58.162 56.400 -0.004 0.000 0.801 174 E CB -0.129 29.661 29.700 0.150 0.000 0.746 174 E HN 0.594 nan 8.360 nan 0.000 0.450 175 D N -0.088 120.299 120.400 -0.021 0.000 2.117 175 D HA -0.172 4.372 4.640 -0.160 0.000 0.197 175 D C 2.107 178.374 176.300 -0.055 0.000 0.987 175 D CA 0.995 54.980 54.000 -0.026 0.000 0.829 175 D CB -0.268 40.522 40.800 -0.016 0.000 0.961 175 D HN 0.050 nan 8.370 nan 0.000 0.460 176 R N 1.152 121.602 120.500 -0.083 0.000 2.075 176 R HA 0.009 4.252 4.340 -0.160 0.000 0.232 176 R C 1.979 178.209 176.300 -0.116 0.000 1.126 176 R CA 1.679 57.719 56.100 -0.101 0.000 0.963 176 R CB -0.792 29.435 30.300 -0.122 0.000 0.858 176 R HN 0.074 nan 8.270 nan 0.000 0.435 177 A N 0.183 122.915 122.820 -0.147 0.000 1.902 177 A HA -0.180 4.044 4.320 -0.160 0.000 0.217 177 A C 1.900 179.417 177.584 -0.111 0.000 1.181 177 A CA 1.942 53.886 52.037 -0.155 0.000 0.623 177 A CB -0.740 18.140 19.000 -0.201 0.000 0.818 177 A HN 0.608 nan 8.150 nan 0.000 0.443 178 N N -0.217 118.438 118.700 -0.076 0.000 2.270 178 N HA 0.034 4.678 4.740 -0.160 0.000 0.181 178 N C 1.865 177.343 175.510 -0.054 0.000 1.016 178 N CA 0.924 53.944 53.050 -0.050 0.000 0.870 178 N CB -0.208 38.270 38.487 -0.015 0.000 0.979 178 N HN 0.494 nan 8.380 nan 0.000 0.431 179 A N 0.953 123.738 122.820 -0.058 0.000 1.898 179 A HA -0.068 4.156 4.320 -0.160 0.000 0.216 179 A C 2.089 179.633 177.584 -0.066 0.000 1.181 179 A CA 0.946 52.950 52.037 -0.055 0.000 0.620 179 A CB -0.685 18.284 19.000 -0.052 0.000 0.819 179 A HN 0.167 nan 8.150 nan 0.000 0.442 180 L N -0.601 120.573 121.223 -0.082 0.000 2.042 180 L HA -0.206 4.038 4.340 -0.160 0.000 0.210 180 L C 2.608 179.421 176.870 -0.094 0.000 1.076 180 L CA 1.162 55.949 54.840 -0.090 0.000 0.749 180 L CB -0.541 41.454 42.059 -0.107 0.000 0.893 180 L HN 0.382 nan 8.230 nan 0.000 0.432 181 L N -0.525 120.634 121.223 -0.105 0.000 2.012 181 L HA -0.240 4.004 4.340 -0.160 0.000 0.210 181 L C 2.864 179.682 176.870 -0.085 0.000 1.073 181 L CA 1.336 56.106 54.840 -0.116 0.000 0.748 181 L CB -0.724 41.257 42.059 -0.129 0.000 0.891 181 L HN 0.273 nan 8.230 nan 0.000 0.431 182 A N -0.034 122.747 122.820 -0.065 0.000 1.978 182 A HA -0.142 4.081 4.320 -0.160 0.000 0.220 182 A C 2.081 179.636 177.584 -0.048 0.000 1.170 182 A CA 1.714 53.722 52.037 -0.049 0.000 0.636 182 A CB -0.995 17.982 19.000 -0.038 0.000 0.810 182 A HN 0.484 nan 8.150 nan 0.000 0.448 183 G N -1.827 106.941 108.800 -0.054 0.000 3.314 183 G HA2 0.390 4.254 3.960 -0.160 0.000 0.238 183 G HA3 0.390 4.254 3.960 -0.160 0.000 0.238 183 G C 1.054 175.923 174.900 -0.053 0.000 1.184 183 G CA 0.446 45.516 45.100 -0.049 0.000 0.806 183 G HN 1.550 nan 8.290 nan 0.000 0.536 184 G N 0.446 109.210 108.800 -0.060 0.000 2.225 184 G HA2 -0.290 3.574 3.960 -0.160 0.000 0.267 184 G HA3 -0.290 3.574 3.960 -0.160 0.000 0.267 184 G C 0.889 175.748 174.900 -0.068 0.000 1.024 184 G CA 0.214 45.277 45.100 -0.062 0.000 0.784 184 G HN 1.210 nan 8.290 nan 0.000 0.507 185 L N -4.286 116.890 121.223 -0.078 0.000 4.696 185 L HA -0.233 4.011 4.340 -0.160 0.000 0.425 185 L C 1.480 178.310 176.870 -0.066 0.000 1.115 185 L CA 1.352 56.143 54.840 -0.081 0.000 0.996 185 L CB -2.401 39.605 42.059 -0.089 0.000 2.077 185 L HN 1.443 nan 8.230 nan 0.000 0.792 186 Q N 0.743 120.509 119.800 -0.057 0.000 2.300 186 Q HA 0.396 4.640 4.340 -0.160 0.000 0.280 186 Q C 1.531 177.499 176.000 -0.053 0.000 1.033 186 Q CA 1.325 57.099 55.803 -0.049 0.000 0.903 186 Q CB 0.475 29.188 28.738 -0.042 0.000 1.195 186 Q HN 1.171 nan 8.270 nan 0.000 0.386 187 G N 0.183 108.952 108.800 -0.051 0.000 2.176 187 G HA2 -0.182 3.682 3.960 -0.160 0.000 0.253 187 G HA3 -0.182 3.682 3.960 -0.160 0.000 0.253 187 G C 0.352 175.213 174.900 -0.066 0.000 0.979 187 G CA 0.138 45.205 45.100 -0.055 0.000 0.641 187 G HN 1.518 nan 8.290 nan 0.000 0.530 188 V N 2.644 122.517 119.914 -0.068 0.000 2.455 188 V HA 0.373 4.397 4.120 -0.160 0.000 0.273 188 V C 0.458 176.514 176.094 -0.063 0.000 1.045 188 V CA -0.477 61.779 62.300 -0.074 0.000 0.976 188 V CB 1.438 33.213 31.823 -0.080 0.000 0.993 188 V HN 0.219 nan 8.190 nan 0.000 0.475 189 K N 6.913 127.274 120.400 -0.065 0.000 2.234 189 K HA 0.530 4.754 4.320 -0.160 0.000 0.282 189 K C -0.074 176.493 176.600 -0.055 0.000 1.039 189 K CA -0.307 55.946 56.287 -0.057 0.000 0.928 189 K CB 1.270 33.733 32.500 -0.061 0.000 1.039 189 K HN 0.812 nan 8.250 nan 0.000 0.470 190 R N 2.400 122.874 120.500 -0.042 0.000 2.626 190 R HA 0.585 4.829 4.340 -0.160 0.000 0.274 190 R C -0.353 175.933 176.300 -0.024 0.000 1.031 190 R CA -0.812 55.267 56.100 -0.035 0.000 0.898 190 R CB 0.984 31.267 30.300 -0.029 0.000 1.222 190 R HN 0.629 nan 8.270 nan 0.000 0.455 191 I N -1.483 119.074 120.570 -0.021 0.000 3.002 191 I HA 0.538 4.612 4.170 -0.160 0.000 0.310 191 I C 0.339 176.451 176.117 -0.007 0.000 1.087 191 I CA -1.116 60.177 61.300 -0.011 0.000 1.017 191 I CB 2.322 40.318 38.000 -0.006 0.000 1.226 191 I HN 0.822 nan 8.210 nan 0.000 0.443 192 S N 2.644 118.342 115.700 -0.003 0.000 2.580 192 S HA 0.071 4.445 4.470 -0.160 0.000 0.266 192 S C 0.876 175.474 174.600 -0.003 0.000 1.354 192 S CA -0.487 57.713 58.200 0.000 0.000 1.008 192 S CB 1.152 64.352 63.200 -0.001 0.000 0.898 192 S HN 0.777 nan 8.310 nan 0.000 0.555 193 L N 0.920 122.144 121.223 0.000 0.000 2.042 193 L HA -0.073 4.171 4.340 -0.160 0.000 0.210 193 L C 1.859 178.726 176.870 -0.006 0.000 1.076 193 L CA 2.062 56.898 54.840 -0.006 0.000 0.749 193 L CB -1.205 40.858 42.059 0.005 0.000 0.893 193 L HN 0.775 nan 8.230 nan 0.000 0.432 194 D N -0.132 120.266 120.400 -0.002 0.000 2.097 194 D HA -0.172 4.372 4.640 -0.160 0.000 0.195 194 D C 2.206 178.504 176.300 -0.004 0.000 0.989 194 D CA 1.644 55.642 54.000 -0.003 0.000 0.827 194 D CB -0.277 40.521 40.800 -0.003 0.000 0.966 194 D HN 0.490 nan 8.370 nan 0.000 0.456 195 A N 1.117 123.936 122.820 -0.003 0.000 1.908 195 A HA -0.110 4.114 4.320 -0.160 0.000 0.218 195 A C 2.330 179.917 177.584 0.004 0.000 1.181 195 A CA 2.453 54.490 52.037 -0.001 0.000 0.627 195 A CB -0.759 18.242 19.000 0.001 0.000 0.818 195 A HN 0.248 nan 8.150 nan 0.000 0.445 196 A N -0.974 121.847 122.820 0.002 0.000 1.883 196 A HA -0.147 4.076 4.320 -0.160 0.000 0.217 196 A C 2.138 179.724 177.584 0.004 0.000 1.186 196 A CA 2.125 54.166 52.037 0.005 0.000 0.624 196 A CB -0.480 18.508 19.000 -0.022 0.000 0.822 196 A HN 0.419 nan 8.150 nan 0.000 0.444 197 M N -0.406 119.191 119.600 -0.006 0.000 2.159 197 M HA -0.045 4.339 4.480 -0.160 0.000 0.263 197 M C 2.306 178.599 176.300 -0.012 0.000 1.063 197 M CA 1.434 56.730 55.300 -0.006 0.000 1.110 197 M CB -1.529 31.070 32.600 -0.002 0.000 1.374 197 M HN 0.476 nan 8.290 nan 0.000 0.411 198 A N -0.340 122.472 122.820 -0.013 0.000 2.169 198 A HA 0.008 4.231 4.320 -0.160 0.000 0.212 198 A C 2.252 179.814 177.584 -0.036 0.000 1.153 198 A CA 1.270 53.294 52.037 -0.021 0.000 0.756 198 A CB -0.682 18.309 19.000 -0.016 0.000 0.813 198 A HN 0.576 nan 8.150 nan 0.000 0.471 199 S N -1.446 114.235 115.700 -0.032 0.000 2.453 199 S HA 0.261 4.635 4.470 -0.160 0.000 0.231 199 S C 1.635 176.122 174.600 -0.188 0.000 1.005 199 S CA 1.317 59.479 58.200 -0.064 0.000 0.949 199 S CB -0.470 62.751 63.200 0.036 0.000 0.774 199 S HN 1.829 nan 8.310 nan 0.000 0.510 200 G N 0.660 109.372 108.800 -0.146 0.000 2.176 200 G HA2 -0.265 3.599 3.960 -0.160 0.000 0.253 200 G HA3 -0.265 3.599 3.960 -0.160 0.000 0.253 200 G C 0.620 175.391 174.900 -0.216 0.000 0.979 200 G CA 0.494 45.484 45.100 -0.183 0.000 0.641 200 G HN 0.604 nan 8.290 nan 0.000 0.530 201 H N -0.577 118.471 119.070 -0.036 0.000 2.512 201 H HA 0.260 4.720 4.556 -0.160 0.000 0.279 201 H C 1.158 176.453 175.328 -0.056 0.000 0.999 201 H CA 1.171 57.191 56.048 -0.047 0.000 1.283 201 H CB 0.415 30.147 29.762 -0.051 0.000 1.421 201 H HN 0.320 nan 8.280 nan 0.000 0.554 202 V N 2.336 122.278 119.914 0.046 0.000 2.370 202 V HA 0.195 4.219 4.120 -0.160 0.000 0.279 202 V C 0.350 176.444 176.094 0.001 0.000 1.029 202 V CA -0.729 61.577 62.300 0.009 0.000 0.870 202 V CB 2.082 33.902 31.823 -0.006 0.000 0.984 202 V HN 0.064 nan 8.190 nan 0.000 0.451 203 K N 3.884 124.282 120.400 -0.004 0.000 2.358 203 K HA 0.760 4.983 4.320 -0.160 0.000 0.260 203 K C -0.455 176.156 176.600 0.018 0.000 0.956 203 K CA -0.514 55.773 56.287 -0.000 0.000 0.834 203 K CB 1.684 34.176 32.500 -0.013 0.000 1.102 203 K HN 0.781 nan 8.250 nan 0.000 0.431 204 A N 3.840 126.676 122.820 0.027 0.000 2.289 204 A HA 0.556 4.780 4.320 -0.160 0.000 0.298 204 A C -0.409 177.196 177.584 0.034 0.000 1.208 204 A CA -0.541 51.520 52.037 0.040 0.000 0.845 204 A CB 0.514 19.534 19.000 0.033 0.000 1.125 204 A HN 0.577 nan 8.150 nan 0.000 0.517 205 V N -0.334 119.608 119.914 0.046 0.000 3.160 205 V HA 0.680 4.704 4.120 -0.160 0.000 0.310 205 V C -0.849 175.265 176.094 0.033 0.000 1.181 205 V CA -1.012 61.316 62.300 0.046 0.000 1.047 205 V CB 1.949 33.819 31.823 0.077 0.000 1.068 205 V HN 0.698 nan 8.190 nan 0.000 0.441 206 D N 0.803 121.214 120.400 0.019 0.000 2.365 206 D HA 0.416 4.960 4.640 -0.160 0.000 0.237 206 D C 0.766 177.070 176.300 0.006 0.000 1.190 206 D CA -0.035 53.960 54.000 -0.009 0.000 0.867 206 D CB 0.876 41.656 40.800 -0.033 0.000 1.050 206 D HN 0.604 nan 8.370 nan 0.000 0.491 207 L N 3.144 124.376 121.223 0.016 0.000 2.418 207 L HA -0.009 4.235 4.340 -0.160 0.000 0.218 207 L C 2.084 178.953 176.870 -0.002 0.000 1.125 207 L CA 0.014 54.882 54.840 0.047 0.000 0.835 207 L CB 0.026 42.139 42.059 0.090 0.000 0.953 207 L HN 0.338 nan 8.230 nan 0.000 0.454 208 V N -0.345 119.462 119.914 -0.179 0.000 2.270 208 V HA -0.295 3.729 4.120 -0.160 0.000 0.245 208 V C 2.484 178.449 176.094 -0.216 0.000 1.043 208 V CA 1.796 63.785 62.300 -0.520 0.000 1.014 208 V CB -0.450 30.955 31.823 -0.698 0.000 0.645 208 V HN 0.386 nan 8.190 nan 0.000 0.447 209 Q N 0.500 120.219 119.800 -0.134 0.000 2.061 209 Q HA -0.130 4.114 4.340 -0.160 0.000 0.204 209 Q C -0.080 175.902 176.000 -0.030 0.000 0.984 209 Q CA 2.425 58.171 55.803 -0.096 0.000 0.846 209 Q CB -1.357 27.329 28.738 -0.088 0.000 0.902 209 Q HN 0.521 nan 8.270 nan 0.000 0.421 210 P HA -0.133 nan 4.420 nan 0.000 0.219 210 P C 0.970 178.350 177.300 0.132 0.000 1.150 210 P CA 0.941 64.073 63.100 0.054 0.000 0.814 210 P CB -0.232 31.495 31.700 0.044 0.000 0.787 211 F N 1.030 121.008 119.950 0.046 0.000 2.075 211 F HA -0.183 4.246 4.527 -0.163 0.000 0.297 211 F C 2.171 178.147 175.800 0.292 0.000 1.113 211 F CA 1.452 59.562 58.000 0.182 0.000 1.218 211 F CB -0.732 38.422 39.000 0.257 0.000 0.984 211 F HN -0.330 nan 8.300 nan 0.000 0.472 212 V N 0.423 120.566 119.914 0.381 0.000 2.295 212 V HA -0.287 3.736 4.120 -0.160 0.000 0.246 212 V C 2.217 178.419 176.094 0.180 0.000 1.049 212 V CA 2.297 64.766 62.300 0.281 0.000 1.024 212 V CB -0.725 31.175 31.823 0.128 0.000 0.648 212 V HN 0.344 nan 8.190 nan 0.000 0.447 213 E N 0.327 120.509 120.200 -0.029 0.000 2.085 213 E HA -0.183 4.071 4.350 -0.160 0.000 0.194 213 E C 2.264 178.971 176.600 0.179 0.000 0.994 213 E CA 1.266 57.638 56.400 -0.046 0.000 0.801 213 E CB -0.478 29.152 29.700 -0.117 0.000 0.743 213 E HN 0.652 nan 8.360 nan 0.000 0.453 214 G N 0.841 109.762 108.800 0.201 0.000 2.509 214 G HA2 -0.193 3.670 3.960 -0.160 0.000 0.218 214 G HA3 -0.193 3.670 3.960 -0.160 0.000 0.218 214 G C 1.480 176.438 174.900 0.096 0.000 1.124 214 G CA 0.147 45.421 45.100 0.289 0.000 0.776 214 G HN 0.105 nan 8.290 nan 0.000 0.547 215 L N 0.575 121.771 121.223 -0.045 0.000 2.187 215 L HA -0.097 4.147 4.340 -0.160 0.000 0.213 215 L C 3.242 179.959 176.870 -0.256 0.000 1.100 215 L CA 0.855 55.443 54.840 -0.421 0.000 0.765 215 L CB -0.256 41.620 42.059 -0.305 0.000 0.904 215 L HN 0.291 nan 8.230 nan 0.000 0.437 216 A N -0.736 122.098 122.820 0.024 0.000 2.125 216 A HA -0.252 3.972 4.320 -0.160 0.000 0.219 216 A C 1.811 179.512 177.584 0.195 0.000 1.156 216 A CA 1.870 53.975 52.037 0.114 0.000 0.671 216 A CB -0.444 18.707 19.000 0.252 0.000 0.794 216 A HN 0.384 nan 8.150 nan 0.000 0.459 217 D N -1.736 118.740 120.400 0.126 0.000 2.339 217 D HA 0.159 4.703 4.640 -0.160 0.000 0.217 217 D C 1.136 177.529 176.300 0.154 0.000 1.050 217 D CA 0.486 54.629 54.000 0.238 0.000 0.856 217 D CB 0.065 40.985 40.800 0.199 0.000 0.922 217 D HN 0.488 nan 8.370 nan 0.000 0.518 218 I N -0.988 119.457 120.570 -0.209 0.000 4.578 218 I HA 0.144 4.218 4.170 -0.160 0.000 0.312 218 I C -0.546 175.151 176.117 -0.699 0.000 1.224 218 I CA 0.021 60.960 61.300 -0.602 0.000 1.318 218 I CB 0.943 38.412 38.000 -0.886 0.000 1.388 218 I HN -0.171 nan 8.210 nan 0.000 0.461 219 V N -1.149 118.570 119.914 -0.324 0.000 2.864 219 V HA 0.533 4.557 4.120 -0.160 0.000 0.314 219 V C -0.509 175.710 176.094 0.208 0.000 1.073 219 V CA -0.750 61.492 62.300 -0.097 0.000 0.956 219 V CB 1.494 33.255 31.823 -0.102 0.000 1.023 219 V HN 0.062 nan 8.190 nan 0.000 0.435 220 D N 3.525 124.108 120.400 0.305 0.000 2.551 220 D HA 0.182 4.726 4.640 -0.160 0.000 0.223 220 D C 1.172 177.510 176.300 0.063 0.000 1.144 220 D CA -0.193 53.952 54.000 0.241 0.000 1.025 220 D CB 0.664 41.597 40.800 0.223 0.000 1.085 220 D HN 0.501 nan 8.370 nan 0.000 0.506 221 M N 1.222 120.812 119.600 -0.016 0.000 2.213 221 M HA -0.105 4.279 4.480 -0.160 0.000 0.263 221 M C 2.050 178.354 176.300 0.006 0.000 1.062 221 M CA 0.624 55.850 55.300 -0.124 0.000 1.105 221 M CB -1.213 31.105 32.600 -0.471 0.000 1.385 221 M HN 0.361 nan 8.290 nan 0.000 0.417 222 A N 0.539 123.387 122.820 0.046 0.000 1.877 222 A HA -0.037 4.187 4.320 -0.160 0.000 0.216 222 A C 2.493 180.105 177.584 0.046 0.000 1.186 222 A CA 2.332 54.404 52.037 0.058 0.000 0.620 222 A CB -1.007 18.017 19.000 0.040 0.000 0.822 222 A HN 0.466 nan 8.150 nan 0.000 0.443 223 A N -0.034 122.809 122.820 0.039 0.000 1.883 223 A HA -0.127 4.097 4.320 -0.160 0.000 0.217 223 A C 2.129 179.738 177.584 0.042 0.000 1.186 223 A CA 1.635 53.697 52.037 0.041 0.000 0.624 223 A CB -0.704 18.325 19.000 0.048 0.000 0.822 223 A HN 0.520 nan 8.150 nan 0.000 0.444 224 I N -0.491 120.104 120.570 0.041 0.000 2.127 224 I HA -0.343 3.731 4.170 -0.160 0.000 0.241 224 I C 3.310 179.465 176.117 0.063 0.000 1.075 224 I CA 1.910 63.239 61.300 0.049 0.000 1.334 224 I CB -0.831 37.196 38.000 0.045 0.000 1.040 224 I HN 0.543 nan 8.210 nan 0.000 0.405 225 Q N 1.226 121.068 119.800 0.071 0.000 2.096 225 Q HA -0.289 3.955 4.340 -0.160 0.000 0.204 225 Q C 2.254 178.290 176.000 0.061 0.000 0.982 225 Q CA 2.174 58.026 55.803 0.082 0.000 0.850 225 Q CB -0.875 27.923 28.738 0.100 0.000 0.901 225 Q HN 0.551 nan 8.270 nan 0.000 0.422 226 K N -0.460 119.970 120.400 0.051 0.000 2.148 226 K HA 0.078 4.302 4.320 -0.160 0.000 0.204 226 K C 2.258 178.881 176.600 0.038 0.000 1.050 226 K CA 1.000 57.311 56.287 0.040 0.000 0.942 226 K CB -0.322 32.199 32.500 0.035 0.000 0.724 226 K HN 0.455 nan 8.250 nan 0.000 0.446 227 A N 0.694 123.539 122.820 0.041 0.000 2.066 227 A HA 0.070 4.294 4.320 -0.160 0.000 0.218 227 A C 1.310 178.916 177.584 0.037 0.000 1.157 227 A CA 1.081 53.140 52.037 0.037 0.000 0.670 227 A CB -0.697 18.326 19.000 0.038 0.000 0.804 227 A HN 0.522 nan 8.150 nan 0.000 0.453 228 G N -0.472 108.355 108.800 0.044 0.000 2.338 228 G HA2 -0.224 3.640 3.960 -0.160 0.000 0.296 228 G HA3 -0.224 3.640 3.960 -0.160 0.000 0.296 228 G C -0.019 174.907 174.900 0.042 0.000 1.040 228 G CA 0.420 45.546 45.100 0.044 0.000 1.004 228 G HN 0.501 nan 8.290 nan 0.000 0.509 229 L N -0.069 121.182 121.223 0.048 0.000 2.439 229 L HA 0.350 4.593 4.340 -0.160 0.000 0.269 229 L C 0.997 177.898 176.870 0.051 0.000 1.179 229 L CA -0.138 54.728 54.840 0.043 0.000 0.828 229 L CB 0.754 42.839 42.059 0.044 0.000 1.106 229 L HN 0.162 nan 8.230 nan 0.000 0.467 230 T N 4.433 119.021 114.554 0.056 0.000 2.747 230 T HA 0.501 4.755 4.350 -0.160 0.000 0.301 230 T C -0.047 174.723 174.700 0.116 0.000 0.952 230 T CA -0.332 61.829 62.100 0.102 0.000 0.983 230 T CB -0.003 68.928 68.868 0.105 0.000 0.930 230 T HN 0.246 nan 8.240 nan 0.000 0.494 231 L N 2.454 123.685 121.223 0.014 0.000 2.334 231 L HA 0.837 5.081 4.340 -0.160 0.000 0.273 231 L C 0.771 177.288 176.870 -0.588 0.000 1.013 231 L CA -0.972 53.716 54.840 -0.253 0.000 0.816 231 L CB 1.766 43.711 42.059 -0.190 0.000 1.278 231 L HN 0.656 nan 8.230 nan 0.000 0.431 232 G N 0.797 108.859 108.800 -1.230 0.000 2.519 232 G HA2 0.717 4.581 3.960 -0.160 0.000 0.307 232 G HA3 0.717 4.581 3.960 -0.160 0.000 0.307 232 G C -1.222 173.075 174.900 -1.006 0.000 1.266 232 G CA -0.554 43.557 45.100 -1.650 0.000 0.970 232 G HN 0.486 nan 8.290 nan 0.000 0.481 233 V N -1.181 118.308 119.914 -0.708 0.000 2.760 233 V HA 0.632 4.656 4.120 -0.160 0.000 0.309 233 V C -1.474 174.422 176.094 -0.330 0.000 1.077 233 V CA -1.168 60.799 62.300 -0.554 0.000 0.910 233 V CB 2.144 33.481 31.823 -0.811 0.000 1.008 233 V HN 0.591 nan 8.190 nan 0.000 0.424 234 D N 5.308 125.577 120.400 -0.217 0.000 2.412 234 D HA 0.490 5.034 4.640 -0.160 0.000 0.224 234 D C -1.892 174.405 176.300 -0.005 0.000 1.093 234 D CA -2.032 51.913 54.000 -0.091 0.000 0.850 234 D CB 2.469 43.243 40.800 -0.043 0.000 1.046 234 D HN 0.389 nan 8.370 nan 0.000 0.507 235 P HA 0.035 nan 4.420 nan 0.000 0.230 235 P C 0.641 178.092 177.300 0.251 0.000 1.158 235 P CA 0.131 63.389 63.100 0.263 0.000 0.769 235 P CB 0.024 31.880 31.700 0.260 0.000 0.807 236 L N -2.020 119.296 121.223 0.155 0.000 3.781 236 L HA -0.249 3.995 4.340 -0.160 0.000 0.426 236 L C 1.079 178.222 176.870 0.455 0.000 1.197 236 L CA 0.393 55.414 54.840 0.303 0.000 0.907 236 L CB -2.712 39.502 42.059 0.260 0.000 1.812 236 L HN 0.352 nan 8.230 nan 0.000 0.956 237 G N -0.992 107.922 108.800 0.189 0.000 2.258 237 G HA2 -0.199 3.664 3.960 -0.160 0.000 0.274 237 G HA3 -0.199 3.664 3.960 -0.160 0.000 0.274 237 G C 0.681 175.702 174.900 0.201 0.000 1.021 237 G CA 0.534 45.740 45.100 0.177 0.000 0.798 237 G HN 1.011 nan 8.290 nan 0.000 0.507 238 G N -1.038 107.925 108.800 0.272 0.000 2.532 238 G HA2 0.620 4.484 3.960 -0.160 0.000 0.291 238 G HA3 0.620 4.484 3.960 -0.160 0.000 0.291 238 G C 1.271 176.158 174.900 -0.020 0.000 1.349 238 G CA 0.747 46.013 45.100 0.278 0.000 1.038 238 G HN 1.182 nan 8.290 nan 0.000 0.518 239 S N -1.886 113.735 115.700 -0.131 0.000 2.515 239 S HA 0.082 4.456 4.470 -0.160 0.000 0.231 239 S C 1.750 176.046 174.600 -0.506 0.000 0.987 239 S CA 0.909 58.959 58.200 -0.250 0.000 0.936 239 S CB 0.191 63.312 63.200 -0.131 0.000 0.766 239 S HN 0.881 nan 8.310 nan 0.000 0.528 240 G N 0.664 108.726 108.800 -1.231 0.000 3.337 240 G HA2 0.304 4.168 3.960 -0.160 0.000 0.246 240 G HA3 0.304 4.168 3.960 -0.160 0.000 0.246 240 G C 0.830 175.543 174.900 -0.312 0.000 1.131 240 G CA -0.057 44.301 45.100 -1.237 0.000 0.773 240 G HN 0.473 nan 8.290 nan 0.000 0.544 241 I N 0.359 120.891 120.570 -0.065 0.000 2.151 241 I HA -0.185 3.889 4.170 -0.160 0.000 0.243 241 I C 2.271 178.500 176.117 0.186 0.000 1.080 241 I CA 1.573 62.971 61.300 0.164 0.000 1.339 241 I CB 0.322 38.384 38.000 0.103 0.000 1.039 241 I HN 0.029 nan 8.210 nan 0.000 0.409 242 E N -0.188 120.096 120.200 0.140 0.000 2.204 242 E HA -0.200 4.054 4.350 -0.160 0.000 0.194 242 E C 2.067 178.696 176.600 0.047 0.000 0.989 242 E CA 1.166 57.618 56.400 0.086 0.000 0.824 242 E CB -0.385 29.328 29.700 0.023 0.000 0.756 242 E HN 0.632 nan 8.360 nan 0.000 0.477 243 Y N -0.749 119.500 120.300 -0.085 0.000 2.163 243 Y HA -0.160 4.295 4.550 -0.158 0.000 0.288 243 Y C 2.236 178.127 175.900 -0.015 0.000 1.136 243 Y CA 0.959 58.982 58.100 -0.128 0.000 1.147 243 Y CB -0.723 37.526 38.460 -0.353 0.000 0.987 243 Y HN 0.107 nan 8.280 nan 0.000 0.509 244 W N 0.601 122.050 121.300 0.249 0.000 2.363 244 W HA -0.174 4.386 4.660 -0.165 0.000 0.296 244 W C 2.302 178.918 176.519 0.161 0.000 1.212 244 W CA 1.092 58.566 57.345 0.215 0.000 1.260 244 W CB -0.173 29.411 29.460 0.207 0.000 1.131 244 W HN -0.067 nan 8.180 nan 0.000 0.530 245 K N -0.078 120.529 120.400 0.344 0.000 2.026 245 K HA -0.191 4.033 4.320 -0.160 0.000 0.208 245 K C 1.991 178.702 176.600 0.184 0.000 1.048 245 K CA 1.396 57.815 56.287 0.219 0.000 0.929 245 K CB -0.327 32.259 32.500 0.143 0.000 0.713 245 K HN -0.101 nan 8.250 nan 0.000 0.439 246 R N 1.369 121.953 120.500 0.139 0.000 2.092 246 R HA -0.012 4.232 4.340 -0.160 0.000 0.231 246 R C 1.945 178.363 176.300 0.197 0.000 1.119 246 R CA 1.092 57.254 56.100 0.102 0.000 0.970 246 R CB -0.350 29.943 30.300 -0.011 0.000 0.864 246 R HN 0.162 nan 8.270 nan 0.000 0.440 247 I N -0.065 120.674 120.570 0.282 0.000 2.179 247 I HA -0.249 3.824 4.170 -0.160 0.000 0.242 247 I C 2.254 178.632 176.117 0.435 0.000 1.088 247 I CA 1.410 62.969 61.300 0.431 0.000 1.357 247 I CB -0.362 37.894 38.000 0.427 0.000 1.051 247 I HN 0.270 nan 8.210 nan 0.000 0.409 248 A N 0.095 123.128 122.820 0.355 0.000 1.933 248 A HA -0.255 3.969 4.320 -0.160 0.000 0.218 248 A C 2.201 179.908 177.584 0.206 0.000 1.175 248 A CA 2.044 54.246 52.037 0.275 0.000 0.628 248 A CB -0.480 18.655 19.000 0.224 0.000 0.814 248 A HN 0.399 nan 8.150 nan 0.000 0.444 249 E N -0.725 119.580 120.200 0.176 0.000 2.046 249 E HA -0.169 4.084 4.350 -0.160 0.000 0.190 249 E C 1.852 178.501 176.600 0.081 0.000 0.982 249 E CA 1.649 58.117 56.400 0.113 0.000 0.800 249 E CB -0.460 29.296 29.700 0.094 0.000 0.756 249 E HN 0.746 nan 8.360 nan 0.000 0.449 250 H N -1.506 117.552 119.070 -0.020 0.000 2.353 250 H HA -0.104 4.356 4.556 -0.161 0.000 0.300 250 H C 0.875 176.016 175.328 -0.312 0.000 1.090 250 H CA 1.947 57.869 56.048 -0.210 0.000 1.327 250 H CB -0.077 29.481 29.762 -0.339 0.000 1.383 250 H HN 0.244 nan 8.280 nan 0.000 0.508 251 Y N 0.464 120.813 120.300 0.082 0.000 2.457 251 Y HA 0.206 4.661 4.550 -0.158 0.000 0.263 251 Y C 0.280 176.200 175.900 0.034 0.000 1.164 251 Y CA -0.209 57.913 58.100 0.036 0.000 1.274 251 Y CB 0.511 39.043 38.460 0.121 0.000 1.097 251 Y HN -0.048 nan 8.280 nan 0.000 0.523 252 K N 0.482 120.957 120.400 0.126 0.000 3.244 252 K HA -0.188 4.036 4.320 -0.160 0.000 0.270 252 K C -0.896 175.779 176.600 0.124 0.000 1.016 252 K CA 0.489 56.832 56.287 0.094 0.000 0.754 252 K CB -2.213 30.317 32.500 0.049 0.000 1.326 252 K HN 0.416 nan 8.250 nan 0.000 0.465 253 L N 0.501 121.819 121.223 0.158 0.000 2.334 253 L HA 0.284 4.528 4.340 -0.160 0.000 0.275 253 L C 1.155 178.094 176.870 0.115 0.000 1.036 253 L CA -0.873 54.056 54.840 0.148 0.000 0.807 253 L CB 1.008 43.183 42.059 0.194 0.000 1.231 253 L HN 0.058 nan 8.230 nan 0.000 0.438 254 N N 3.358 122.114 118.700 0.093 0.000 2.819 254 N HA 0.151 4.795 4.740 -0.160 0.000 0.284 254 N C -1.324 174.226 175.510 0.068 0.000 1.196 254 N CA -0.121 52.975 53.050 0.078 0.000 1.114 254 N CB -0.177 38.352 38.487 0.070 0.000 1.437 254 N HN 0.313 nan 8.380 nan 0.000 0.518 255 L N 2.272 123.533 121.223 0.065 0.000 2.372 255 L HA 0.516 4.760 4.340 -0.160 0.000 0.274 255 L C -0.723 176.142 176.870 -0.008 0.000 0.988 255 L CA -0.299 54.547 54.840 0.011 0.000 0.833 255 L CB 1.750 43.858 42.059 0.082 0.000 1.236 255 L HN 0.115 nan 8.230 nan 0.000 0.410 256 T N 5.850 120.351 114.554 -0.087 0.000 2.779 256 T HA 0.565 4.818 4.350 -0.160 0.000 0.280 256 T C -0.483 174.130 174.700 -0.144 0.000 0.987 256 T CA -0.344 61.730 62.100 -0.044 0.000 0.966 256 T CB 1.061 69.984 68.868 0.091 0.000 0.933 256 T HN 0.294 nan 8.240 nan 0.000 0.442 257 L N 4.153 125.337 121.223 -0.067 0.000 2.281 257 L HA 0.220 4.464 4.340 -0.160 0.000 0.285 257 L C 1.632 178.472 176.870 -0.051 0.000 1.074 257 L CA 0.024 54.816 54.840 -0.080 0.000 0.817 257 L CB 1.024 43.075 42.059 -0.013 0.000 1.168 257 L HN 0.650 nan 8.230 nan 0.000 0.434 258 V N 0.900 120.772 119.914 -0.072 0.000 3.041 258 V HA 0.123 4.146 4.120 -0.160 0.000 0.260 258 V C 0.420 176.501 176.094 -0.021 0.000 1.105 258 V CA 1.089 63.383 62.300 -0.009 0.000 1.125 258 V CB -1.356 30.477 31.823 0.015 0.000 0.730 258 V HN 1.018 nan 8.190 nan 0.000 0.479 259 N N -0.742 117.920 118.700 -0.063 0.000 2.636 259 N HA 0.337 4.981 4.740 -0.160 0.000 0.261 259 N C -0.993 174.439 175.510 -0.129 0.000 1.195 259 N CA -0.041 52.950 53.050 -0.098 0.000 0.902 259 N CB 1.238 39.639 38.487 -0.142 0.000 1.627 259 N HN 0.108 nan 8.380 nan 0.000 0.491 260 D N -0.230 120.100 120.400 -0.116 0.000 2.559 260 D HA 0.046 4.590 4.640 -0.160 0.000 0.234 260 D C -0.531 175.676 176.300 -0.155 0.000 1.226 260 D CA -0.138 53.802 54.000 -0.099 0.000 0.830 260 D CB 0.091 40.872 40.800 -0.032 0.000 1.028 260 D HN 0.436 nan 8.370 nan 0.000 0.492 261 Q N 0.466 120.087 119.800 -0.297 0.000 2.311 261 Q HA 0.238 4.482 4.340 -0.160 0.000 0.272 261 Q C -0.328 175.488 176.000 -0.307 0.000 1.012 261 Q CA 0.043 55.650 55.803 -0.326 0.000 0.891 261 Q CB 2.211 30.634 28.738 -0.526 0.000 1.201 261 Q HN 0.092 nan 8.270 nan 0.000 0.391 262 V N 3.463 123.292 119.914 -0.141 0.000 2.444 262 V HA 0.332 4.356 4.120 -0.160 0.000 0.294 262 V C -0.516 175.513 176.094 -0.108 0.000 1.022 262 V CA -0.646 61.570 62.300 -0.139 0.000 0.850 262 V CB 1.935 33.684 31.823 -0.123 0.000 0.992 262 V HN 0.669 nan 8.190 nan 0.000 0.426 263 D N 3.088 123.372 120.400 -0.194 0.000 2.891 263 D HA 0.252 4.796 4.640 -0.160 0.000 0.224 263 D C 0.388 176.367 176.300 -0.535 0.000 1.321 263 D CA -0.420 53.455 54.000 -0.207 0.000 0.929 263 D CB 2.394 43.187 40.800 -0.013 0.000 1.551 263 D HN 0.500 nan 8.370 nan 0.000 0.574 264 Q N 0.837 120.432 119.800 -0.341 0.000 2.488 264 Q HA -0.026 4.218 4.340 -0.160 0.000 0.211 264 Q C 1.580 177.502 176.000 -0.130 0.000 0.967 264 Q CA 1.292 56.918 55.803 -0.295 0.000 0.926 264 Q CB 0.270 28.957 28.738 -0.085 0.000 0.992 264 Q HN 0.618 nan 8.270 nan 0.000 0.506 265 T N -3.480 110.988 114.554 -0.143 0.000 3.081 265 T HA -0.001 4.253 4.350 -0.160 0.000 0.255 265 T C 0.457 175.150 174.700 -0.011 0.000 1.113 265 T CA -0.271 61.810 62.100 -0.031 0.000 1.082 265 T CB -0.228 68.610 68.868 -0.050 0.000 0.939 265 T HN 0.254 nan 8.240 nan 0.000 0.506 266 F N 1.796 121.547 119.950 -0.330 0.000 3.090 266 F HA -0.274 4.158 4.527 -0.158 0.000 0.282 266 F C 1.605 176.905 175.800 -0.833 0.000 0.923 266 F CA 0.589 58.149 58.000 -0.733 0.000 0.977 266 F CB -1.930 36.744 39.000 -0.542 0.000 0.954 266 F HN 0.378 nan 8.300 nan 0.000 0.695 267 R N 0.725 120.968 120.500 -0.428 0.000 2.193 267 R HA -0.162 4.082 4.340 -0.160 0.000 0.229 267 R C 1.884 178.051 176.300 -0.221 0.000 1.110 267 R CA 2.027 57.985 56.100 -0.236 0.000 0.988 267 R CB -0.913 29.331 30.300 -0.094 0.000 0.871 267 R HN 0.491 nan 8.270 nan 0.000 0.458 268 F N -0.346 119.599 119.950 -0.009 0.000 2.699 268 F HA 0.297 4.727 4.527 -0.162 0.000 0.298 268 F C 0.646 176.437 175.800 -0.015 0.000 1.154 268 F CA -0.675 57.314 58.000 -0.017 0.000 1.457 268 F CB -0.341 38.660 39.000 0.002 0.000 1.106 268 F HN -0.148 nan 8.300 nan 0.000 0.585 269 M N 1.523 120.977 119.600 -0.243 0.000 2.243 269 M HA 0.118 4.502 4.480 -0.160 0.000 0.341 269 M C -0.305 175.948 176.300 -0.077 0.000 1.130 269 M CA 0.003 55.279 55.300 -0.040 0.000 1.162 269 M CB 0.053 32.575 32.600 -0.129 0.000 1.497 269 M HN 0.128 nan 8.290 nan 0.000 0.456 270 H N 1.405 120.499 119.070 0.039 0.000 2.582 270 H HA 0.381 4.841 4.556 -0.160 0.000 0.345 270 H C -0.310 175.014 175.328 -0.006 0.000 1.104 270 H CA -0.221 55.838 56.048 0.019 0.000 1.390 270 H CB 0.471 30.250 29.762 0.028 0.000 1.461 270 H HN 0.492 nan 8.280 nan 0.000 0.551 271 L N 2.054 123.322 121.223 0.074 0.000 2.461 271 L HA 0.059 4.303 4.340 -0.160 0.000 0.272 271 L C 0.940 177.830 176.870 0.034 0.000 1.197 271 L CA -0.100 54.753 54.840 0.022 0.000 0.836 271 L CB 0.339 42.399 42.059 0.002 0.000 1.105 271 L HN 0.652 nan 8.230 nan 0.000 0.477 272 D N 1.247 121.646 120.400 -0.002 0.000 2.414 272 D HA 0.154 4.698 4.640 -0.160 0.000 0.251 272 D C 1.123 177.424 176.300 0.001 0.000 1.252 272 D CA 0.449 54.446 54.000 -0.006 0.000 0.999 272 D CB 1.029 41.814 40.800 -0.024 0.000 1.093 272 D HN 0.465 nan 8.370 nan 0.000 0.515 273 K N 0.420 120.820 120.400 0.000 0.000 2.127 273 K HA -0.195 4.029 4.320 -0.160 0.000 0.208 273 K C 1.146 177.767 176.600 0.035 0.000 1.047 273 K CA 2.447 58.744 56.287 0.016 0.000 0.927 273 K CB -0.917 31.584 32.500 0.001 0.000 0.716 273 K HN 0.720 nan 8.250 nan 0.000 0.450 274 D N -2.707 117.690 120.400 -0.005 0.000 2.340 274 D HA 0.227 4.771 4.640 -0.160 0.000 0.217 274 D C 1.053 177.238 176.300 -0.192 0.000 1.081 274 D CA 0.624 54.603 54.000 -0.035 0.000 0.842 274 D CB -0.260 40.513 40.800 -0.045 0.000 0.934 274 D HN 0.731 nan 8.370 nan 0.000 0.511 275 G N -0.397 108.307 108.800 -0.160 0.000 2.148 275 G HA2 -0.128 3.736 3.960 -0.160 0.000 0.254 275 G HA3 -0.128 3.736 3.960 -0.160 0.000 0.254 275 G C 0.433 175.212 174.900 -0.202 0.000 0.981 275 G CA 0.209 45.148 45.100 -0.268 0.000 0.670 275 G HN 0.837 nan 8.290 nan 0.000 0.528 276 A N -0.540 122.198 122.820 -0.136 0.000 2.269 276 A HA 0.825 5.049 4.320 -0.160 0.000 0.319 276 A C 0.453 177.990 177.584 -0.079 0.000 1.110 276 A CA -0.690 51.286 52.037 -0.102 0.000 0.847 276 A CB 0.718 19.666 19.000 -0.088 0.000 1.161 276 A HN 0.709 nan 8.150 nan 0.000 0.497 277 I N 1.403 121.923 120.570 -0.083 0.000 2.347 277 I HA 0.242 4.316 4.170 -0.160 0.000 0.294 277 I C 0.468 176.516 176.117 -0.116 0.000 1.090 277 I CA 0.455 61.696 61.300 -0.098 0.000 1.314 277 I CB -0.029 37.903 38.000 -0.112 0.000 1.423 277 I HN 0.516 nan 8.210 nan 0.000 0.503 278 R N 5.491 125.936 120.500 -0.091 0.000 2.575 278 R HA 0.437 4.681 4.340 -0.160 0.000 0.293 278 R C -0.758 175.503 176.300 -0.066 0.000 0.983 278 R CA -1.049 55.010 56.100 -0.069 0.000 0.887 278 R CB 2.026 32.325 30.300 -0.002 0.000 1.184 278 R HN 0.424 nan 8.270 nan 0.000 0.445 279 M N 2.143 121.697 119.600 -0.077 0.000 3.652 279 M HA 0.122 4.506 4.480 -0.160 0.000 0.208 279 M C -0.518 175.772 176.300 -0.017 0.000 1.307 279 M CA -0.135 55.139 55.300 -0.043 0.000 1.524 279 M CB -0.408 32.135 32.600 -0.095 0.000 1.067 279 M HN 0.182 nan 8.290 nan 0.000 0.590 280 D N -0.290 120.055 120.400 -0.091 0.000 2.380 280 D HA 0.123 4.667 4.640 -0.160 0.000 0.230 280 D C 0.984 177.188 176.300 -0.159 0.000 1.154 280 D CA -0.326 53.526 54.000 -0.248 0.000 0.859 280 D CB 0.859 41.465 40.800 -0.323 0.000 1.045 280 D HN 0.635 nan 8.370 nan 0.000 0.495 281 C N 1.909 121.119 119.300 -0.149 0.000 2.449 281 C HA 0.003 4.367 4.460 -0.160 0.000 0.283 281 C C 1.889 176.809 174.990 -0.117 0.000 1.453 281 C CA 0.416 59.371 59.018 -0.105 0.000 1.779 281 C CB -1.550 26.133 27.740 -0.095 0.000 1.779 281 C HN 0.532 nan 8.230 nan 0.000 0.546 282 S N -0.197 115.410 115.700 -0.155 0.000 2.540 282 S HA 0.174 4.548 4.470 -0.160 0.000 0.218 282 S C 0.471 175.004 174.600 -0.111 0.000 0.977 282 S CA 0.371 58.490 58.200 -0.135 0.000 0.918 282 S CB -0.373 62.738 63.200 -0.149 0.000 0.806 282 S HN 0.596 nan 8.310 nan 0.000 0.496 283 S N 1.039 116.675 115.700 -0.106 0.000 2.429 283 S HA 0.332 4.706 4.470 -0.160 0.000 0.302 283 S C 0.852 175.415 174.600 -0.061 0.000 1.115 283 S CA -0.579 57.574 58.200 -0.079 0.000 1.095 283 S CB 0.936 64.090 63.200 -0.076 0.000 0.987 283 S HN 0.427 nan 8.310 nan 0.000 0.474 284 E N 2.661 122.828 120.200 -0.055 0.000 2.160 284 E HA -0.156 4.098 4.350 -0.160 0.000 0.195 284 E C 1.735 178.307 176.600 -0.046 0.000 0.991 284 E CA 1.492 57.861 56.400 -0.052 0.000 0.810 284 E CB -0.213 29.459 29.700 -0.047 0.000 0.742 284 E HN 0.799 nan 8.360 nan 0.000 0.466 285 C N 0.717 119.999 119.300 -0.030 0.000 2.462 285 C HA -0.085 4.279 4.460 -0.160 0.000 0.278 285 C C 2.957 177.952 174.990 0.009 0.000 1.253 285 C CA 0.878 59.891 59.018 -0.008 0.000 1.713 285 C CB -1.009 26.736 27.740 0.008 0.000 2.049 285 C HN 0.524 nan 8.230 nan 0.000 0.477 286 A N -0.107 122.716 122.820 0.006 0.000 2.019 286 A HA -0.117 4.106 4.320 -0.160 0.000 0.219 286 A C 1.982 179.584 177.584 0.030 0.000 1.164 286 A CA 1.593 53.650 52.037 0.032 0.000 0.644 286 A CB -0.368 18.631 19.000 -0.001 0.000 0.805 286 A HN 0.555 nan 8.150 nan 0.000 0.449 287 M N -0.671 118.916 119.600 -0.023 0.000 2.563 287 M HA 0.196 4.580 4.480 -0.160 0.000 0.231 287 M C 2.098 178.336 176.300 -0.103 0.000 1.136 287 M CA 0.605 55.880 55.300 -0.043 0.000 1.026 287 M CB -1.128 31.440 32.600 -0.052 0.000 1.597 287 M HN 0.479 nan 8.290 nan 0.000 0.495 288 A N 0.876 123.588 122.820 -0.179 0.000 1.917 288 A HA -0.111 4.113 4.320 -0.160 0.000 0.219 288 A C 2.349 179.702 177.584 -0.384 0.000 1.182 288 A CA 2.202 54.051 52.037 -0.313 0.000 0.633 288 A CB -1.307 17.439 19.000 -0.424 0.000 0.819 288 A HN 0.500 nan 8.150 nan 0.000 0.448 289 G N -0.404 108.116 108.800 -0.467 0.000 2.459 289 G HA2 -0.166 3.698 3.960 -0.160 0.000 0.217 289 G HA3 -0.166 3.698 3.960 -0.160 0.000 0.217 289 G C 1.494 176.358 174.900 -0.059 0.000 1.183 289 G CA 1.262 46.252 45.100 -0.184 0.000 0.776 289 G HN 0.528 nan 8.290 nan 0.000 0.552 290 L N 0.436 121.633 121.223 -0.042 0.000 2.056 290 L HA 0.184 4.428 4.340 -0.160 0.000 0.207 290 L C 2.697 179.556 176.870 -0.019 0.000 1.078 290 L CA 1.200 56.029 54.840 -0.018 0.000 0.749 290 L CB -0.442 41.591 42.059 -0.043 0.000 0.901 290 L HN 0.209 nan 8.230 nan 0.000 0.433 291 L N -0.442 120.748 121.223 -0.055 0.000 2.079 291 L HA -0.199 4.045 4.340 -0.160 0.000 0.210 291 L C 2.600 179.444 176.870 -0.044 0.000 1.081 291 L CA 1.166 55.975 54.840 -0.051 0.000 0.752 291 L CB -0.904 41.115 42.059 -0.067 0.000 0.896 291 L HN 0.374 nan 8.230 nan 0.000 0.433 292 A N -0.375 122.412 122.820 -0.056 0.000 2.070 292 A HA -0.084 4.140 4.320 -0.160 0.000 0.220 292 A C 2.003 179.569 177.584 -0.030 0.000 1.159 292 A CA 1.191 53.202 52.037 -0.044 0.000 0.656 292 A CB -0.442 18.530 19.000 -0.047 0.000 0.800 292 A HN 0.450 nan 8.150 nan 0.000 0.453 293 L N -0.580 120.640 121.223 -0.006 0.000 2.667 293 L HA 0.084 4.328 4.340 -0.160 0.000 0.232 293 L C 2.246 179.110 176.870 -0.010 0.000 1.138 293 L CA 0.229 55.067 54.840 -0.003 0.000 0.921 293 L CB -0.162 41.955 42.059 0.097 0.000 1.180 293 L HN 0.530 nan 8.230 nan 0.000 0.487 294 R N -0.770 119.732 120.500 0.004 0.000 2.193 294 R HA -0.153 4.091 4.340 -0.160 0.000 0.229 294 R C 0.681 176.960 176.300 -0.034 0.000 1.110 294 R CA 1.424 57.538 56.100 0.023 0.000 0.988 294 R CB -0.355 29.942 30.300 -0.005 0.000 0.871 294 R HN 0.173 nan 8.270 nan 0.000 0.458 295 D N 1.052 121.396 120.400 -0.094 0.000 2.347 295 D HA -0.017 4.527 4.640 -0.160 0.000 0.215 295 D C 1.006 177.173 176.300 -0.222 0.000 0.976 295 D CA 0.868 54.795 54.000 -0.122 0.000 0.884 295 D CB 0.158 40.898 40.800 -0.101 0.000 0.915 295 D HN 0.350 nan 8.370 nan 0.000 0.526 296 K N -0.707 119.446 120.400 -0.413 0.000 2.418 296 K HA 0.076 4.300 4.320 -0.160 0.000 0.195 296 K C -0.249 175.812 176.600 -0.898 0.000 1.035 296 K CA 0.372 56.212 56.287 -0.745 0.000 1.003 296 K CB 0.381 32.203 32.500 -1.130 0.000 0.793 296 K HN 0.018 nan 8.250 nan 0.000 0.494 297 F N -0.348 119.543 119.950 -0.099 0.000 2.576 297 F HA 0.199 4.630 4.527 -0.160 0.000 0.313 297 F C 0.753 176.481 175.800 -0.119 0.000 1.078 297 F CA -1.473 56.452 58.000 -0.125 0.000 0.921 297 F CB 1.424 40.313 39.000 -0.185 0.000 1.232 297 F HN -0.233 nan 8.300 nan 0.000 0.459 298 D N 0.768 121.217 120.400 0.080 0.000 2.144 298 D HA -0.049 4.495 4.640 -0.160 0.000 0.199 298 D C 0.088 176.371 176.300 -0.029 0.000 0.984 298 D CA 1.824 55.831 54.000 0.013 0.000 0.834 298 D CB 0.340 41.146 40.800 0.009 0.000 0.955 298 D HN 0.177 nan 8.370 nan 0.000 0.465 299 L N -1.205 119.961 121.223 -0.095 0.000 2.545 299 L HA 0.532 4.776 4.340 -0.160 0.000 0.258 299 L C -1.850 174.668 176.870 -0.587 0.000 0.942 299 L CA -0.637 54.036 54.840 -0.278 0.000 0.855 299 L CB 2.046 43.946 42.059 -0.264 0.000 1.374 299 L HN -0.103 nan 8.230 nan 0.000 0.411 300 A N 2.998 125.406 122.820 -0.685 0.000 2.498 300 A HA 0.929 5.153 4.320 -0.160 0.000 0.298 300 A C -1.722 175.372 177.584 -0.818 0.000 1.075 300 A CA -0.420 51.083 52.037 -0.890 0.000 0.714 300 A CB 1.213 19.911 19.000 -0.503 0.000 1.299 300 A HN 0.485 nan 8.150 nan 0.000 0.407 301 F N 0.059 119.807 119.950 -0.337 0.000 2.563 301 F HA 0.777 5.206 4.527 -0.164 0.000 0.316 301 F C 0.473 176.127 175.800 -0.244 0.000 1.076 301 F CA -0.633 57.207 58.000 -0.268 0.000 0.921 301 F CB 2.639 41.440 39.000 -0.331 0.000 1.209 301 F HN 0.831 nan 8.300 nan 0.000 0.462 302 A N 2.108 124.970 122.820 0.069 0.000 2.556 302 A HA 0.829 5.052 4.320 -0.160 0.000 0.294 302 A C -1.650 175.920 177.584 -0.024 0.000 1.091 302 A CA -0.866 51.172 52.037 0.000 0.000 0.704 302 A CB 1.802 20.787 19.000 -0.025 0.000 1.300 302 A HN 0.858 nan 8.150 nan 0.000 0.406 303 N N 0.404 119.009 118.700 -0.158 0.000 2.284 303 N HA 0.503 5.146 4.740 -0.160 0.000 0.289 303 N C -1.380 173.966 175.510 -0.273 0.000 1.179 303 N CA -0.789 52.042 53.050 -0.364 0.000 0.774 303 N CB 1.663 39.504 38.487 -1.076 0.000 1.548 303 N HN 0.795 nan 8.380 nan 0.000 0.473 304 D N 0.142 120.445 120.400 -0.160 0.000 2.384 304 D HA 0.121 4.665 4.640 -0.160 0.000 0.244 304 D C -1.951 174.414 176.300 0.107 0.000 1.251 304 D CA -1.453 52.545 54.000 -0.002 0.000 0.961 304 D CB 0.128 40.970 40.800 0.069 0.000 1.116 304 D HN 0.216 nan 8.370 nan 0.000 0.484 305 P HA -0.068 nan 4.420 nan 0.000 0.221 305 P C 0.514 177.996 177.300 0.303 0.000 1.150 305 P CA 1.251 64.522 63.100 0.284 0.000 0.800 305 P CB 0.041 31.876 31.700 0.225 0.000 0.787 306 D N -3.410 117.119 120.400 0.215 0.000 2.340 306 D HA -0.095 4.449 4.640 -0.160 0.000 0.220 306 D C 0.079 176.494 176.300 0.192 0.000 1.039 306 D CA -0.313 53.775 54.000 0.147 0.000 0.866 306 D CB -0.963 39.874 40.800 0.063 0.000 0.913 306 D HN 0.097 nan 8.370 nan 0.000 0.523 307 Y N 0.883 121.166 120.300 -0.029 0.000 4.177 307 Y HA -0.233 4.223 4.550 -0.155 0.000 0.227 307 Y C 0.809 176.678 175.900 -0.052 0.000 1.154 307 Y CA 0.455 58.526 58.100 -0.048 0.000 1.887 307 Y CB -2.160 36.205 38.460 -0.159 0.000 1.594 307 Y HN 0.303 nan 8.280 nan 0.000 0.668 308 D N -1.202 119.225 120.400 0.044 0.000 2.367 308 D HA 0.105 4.649 4.640 -0.160 0.000 0.207 308 D C 0.723 177.028 176.300 0.007 0.000 1.034 308 D CA 0.289 54.285 54.000 -0.008 0.000 0.861 308 D CB 0.233 40.995 40.800 -0.064 0.000 0.943 308 D HN 0.377 nan 8.370 nan 0.000 0.515 309 R N 0.138 120.647 120.500 0.015 0.000 2.828 309 R HA 0.446 4.689 4.340 -0.160 0.000 0.264 309 R C -0.166 176.156 176.300 0.038 0.000 1.022 309 R CA -0.775 55.331 56.100 0.011 0.000 1.021 309 R CB 1.506 31.777 30.300 -0.049 0.000 1.163 309 R HN 0.285 nan 8.270 nan 0.000 0.494 310 H N -1.557 117.517 119.070 0.006 0.000 2.851 310 H HA 0.576 5.035 4.556 -0.162 0.000 0.372 310 H C -0.994 174.340 175.328 0.011 0.000 1.158 310 H CA -1.116 54.941 56.048 0.015 0.000 1.159 310 H CB 2.158 31.965 29.762 0.076 0.000 1.757 310 H HN 0.774 nan 8.280 nan 0.000 0.546 311 G N 2.559 111.395 108.800 0.060 0.000 2.590 311 G HA2 0.489 4.353 3.960 -0.160 0.000 0.310 311 G HA3 0.489 4.353 3.960 -0.160 0.000 0.310 311 G C -0.967 173.970 174.900 0.062 0.000 1.347 311 G CA -0.657 44.445 45.100 0.004 0.000 0.963 311 G HN 0.486 nan 8.290 nan 0.000 0.494 312 I N 2.713 123.284 120.570 0.001 0.000 2.362 312 I HA 0.359 4.433 4.170 -0.160 0.000 0.289 312 I C -0.250 175.825 176.117 -0.070 0.000 0.994 312 I CA -0.962 60.320 61.300 -0.031 0.000 1.158 312 I CB 1.273 39.118 38.000 -0.258 0.000 1.315 312 I HN 0.045 nan 8.210 nan 0.000 0.451 313 V N 5.849 125.708 119.914 -0.092 0.000 2.513 313 V HA 0.680 4.704 4.120 -0.160 0.000 0.299 313 V C 0.404 176.435 176.094 -0.105 0.000 1.035 313 V CA -0.350 61.891 62.300 -0.097 0.000 0.889 313 V CB 2.163 33.924 31.823 -0.104 0.000 0.988 313 V HN 0.949 nan 8.190 nan 0.000 0.440 314 T N 1.850 116.367 114.554 -0.061 0.000 2.831 314 T HA 0.511 4.765 4.350 -0.160 0.000 0.287 314 T C -2.426 172.259 174.700 -0.025 0.000 1.070 314 T CA -2.055 60.020 62.100 -0.042 0.000 1.010 314 T CB 2.085 70.942 68.868 -0.020 0.000 1.264 314 T HN 0.307 nan 8.240 nan 0.000 0.532 315 P HA 0.070 nan 4.420 nan 0.000 0.221 315 P C 1.232 178.522 177.300 -0.016 0.000 1.145 315 P CA 1.076 64.164 63.100 -0.020 0.000 0.795 315 P CB -0.249 31.438 31.700 -0.022 0.000 0.775 316 A N -1.409 121.406 122.820 -0.008 0.000 2.206 316 A HA 0.449 4.673 4.320 -0.160 0.000 0.211 316 A C 1.229 178.808 177.584 -0.009 0.000 1.158 316 A CA 1.130 53.166 52.037 -0.001 0.000 0.761 316 A CB -0.804 18.206 19.000 0.016 0.000 0.801 316 A HN 0.336 nan 8.150 nan 0.000 0.473 317 G N -1.673 107.116 108.800 -0.019 0.000 2.318 317 G HA2 0.195 4.059 3.960 -0.160 0.000 0.367 317 G HA3 0.195 4.059 3.960 -0.160 0.000 0.367 317 G C -0.841 174.035 174.900 -0.039 0.000 1.260 317 G CA -0.359 44.724 45.100 -0.029 0.000 1.055 317 G HN 1.010 nan 8.290 nan 0.000 0.484 318 L N 1.058 122.252 121.223 -0.049 0.000 2.281 318 L HA 0.759 5.003 4.340 -0.160 0.000 0.285 318 L C 0.895 177.725 176.870 -0.068 0.000 1.074 318 L CA -0.279 54.525 54.840 -0.060 0.000 0.817 318 L CB 0.990 43.009 42.059 -0.065 0.000 1.168 318 L HN 0.793 nan 8.230 nan 0.000 0.434 319 M N 5.178 124.739 119.600 -0.065 0.000 2.239 319 M HA 0.073 4.457 4.480 -0.160 0.000 0.348 319 M C 0.415 176.646 176.300 -0.115 0.000 1.239 319 M CA 0.282 55.542 55.300 -0.065 0.000 1.114 319 M CB 0.160 32.740 32.600 -0.032 0.000 1.641 319 M HN 0.765 nan 8.290 nan 0.000 0.453 320 N N 5.667 124.221 118.700 -0.242 0.000 2.411 320 N HA 0.007 4.651 4.740 -0.160 0.000 0.261 320 N C -2.165 173.218 175.510 -0.211 0.000 1.248 320 N CA -0.827 51.995 53.050 -0.379 0.000 0.885 320 N CB 1.030 38.941 38.487 -0.960 0.000 1.062 320 N HN 0.435 nan 8.380 nan 0.000 0.471 321 P HA -0.080 nan 4.420 nan 0.000 0.216 321 P C 0.936 178.269 177.300 0.054 0.000 1.150 321 P CA 1.014 64.114 63.100 -0.000 0.000 0.837 321 P CB 0.290 31.961 31.700 -0.048 0.000 0.786 322 N N -1.269 117.393 118.700 -0.063 0.000 2.120 322 N HA -0.163 4.480 4.740 -0.160 0.000 0.188 322 N C 1.748 177.341 175.510 0.138 0.000 1.024 322 N CA 1.236 54.287 53.050 0.001 0.000 0.852 322 N CB -0.774 37.630 38.487 -0.139 0.000 1.003 322 N HN 0.431 nan 8.380 nan 0.000 0.424 323 H N -1.508 117.480 119.070 -0.137 0.000 2.353 323 H HA -0.158 4.289 4.556 -0.183 0.000 0.300 323 H C 1.697 177.065 175.328 0.068 0.000 1.090 323 H CA 1.098 56.965 56.048 -0.302 0.000 1.327 323 H CB -0.062 29.183 29.762 -0.862 0.000 1.383 323 H HN 0.220 nan 8.280 nan 0.000 0.508 324 Y N 1.877 122.253 120.300 0.125 0.000 2.181 324 Y HA -0.196 4.252 4.550 -0.171 0.000 0.288 324 Y C 2.266 178.273 175.900 0.179 0.000 1.146 324 Y CA 0.939 59.136 58.100 0.161 0.000 1.164 324 Y CB -0.592 37.976 38.460 0.179 0.000 0.982 324 Y HN 0.048 nan 8.280 nan 0.000 0.515 325 L N -0.293 120.971 121.223 0.068 0.000 1.990 325 L HA -0.327 3.917 4.340 -0.160 0.000 0.213 325 L C 2.796 179.593 176.870 -0.123 0.000 1.072 325 L CA 1.587 56.432 54.840 0.009 0.000 0.755 325 L CB -1.266 40.902 42.059 0.182 0.000 0.889 325 L HN 0.299 nan 8.230 nan 0.000 0.432 326 A N -0.375 122.459 122.820 0.023 0.000 1.883 326 A HA -0.175 4.049 4.320 -0.160 0.000 0.217 326 A C 2.349 179.932 177.584 -0.001 0.000 1.186 326 A CA 2.089 54.146 52.037 0.033 0.000 0.624 326 A CB -0.945 18.174 19.000 0.197 0.000 0.822 326 A HN 0.216 nan 8.150 nan 0.000 0.444 327 V N -0.243 119.710 119.914 0.064 0.000 2.295 327 V HA -0.253 3.770 4.120 -0.160 0.000 0.246 327 V C 3.067 179.080 176.094 -0.136 0.000 1.049 327 V CA 1.998 64.325 62.300 0.044 0.000 1.024 327 V CB -1.245 30.695 31.823 0.195 0.000 0.648 327 V HN 0.638 nan 8.190 nan 0.000 0.447 328 A N -0.188 122.417 122.820 -0.357 0.000 1.902 328 A HA -0.189 4.035 4.320 -0.160 0.000 0.217 328 A C 2.178 179.536 177.584 -0.377 0.000 1.181 328 A CA 2.020 53.788 52.037 -0.447 0.000 0.623 328 A CB -0.547 18.083 19.000 -0.617 0.000 0.818 328 A HN 0.509 nan 8.150 nan 0.000 0.443 329 I N -0.133 120.147 120.570 -0.484 0.000 2.179 329 I HA -0.267 3.806 4.170 -0.160 0.000 0.242 329 I C 2.540 178.650 176.117 -0.011 0.000 1.088 329 I CA 1.520 62.618 61.300 -0.336 0.000 1.357 329 I CB -0.434 37.298 38.000 -0.445 0.000 1.051 329 I HN 0.517 nan 8.210 nan 0.000 0.409 330 N N 0.378 119.052 118.700 -0.044 0.000 2.104 330 N HA -0.284 4.360 4.740 -0.160 0.000 0.190 330 N C 2.183 177.729 175.510 0.059 0.000 1.024 330 N CA 1.677 54.746 53.050 0.031 0.000 0.853 330 N CB -0.086 38.434 38.487 0.055 0.000 1.008 330 N HN 0.340 nan 8.380 nan 0.000 0.424 331 Y N 1.571 121.807 120.300 -0.107 0.000 2.133 331 Y HA -0.081 4.370 4.550 -0.164 0.000 0.287 331 Y C 2.400 178.264 175.900 -0.060 0.000 1.134 331 Y CA 1.347 59.380 58.100 -0.111 0.000 1.133 331 Y CB -0.530 37.739 38.460 -0.317 0.000 0.987 331 Y HN 0.007 nan 8.280 nan 0.000 0.502 332 L N -1.088 120.046 121.223 -0.149 0.000 2.012 332 L HA -0.244 4.000 4.340 -0.160 0.000 0.210 332 L C 2.144 178.647 176.870 -0.611 0.000 1.073 332 L CA 1.504 56.066 54.840 -0.463 0.000 0.748 332 L CB -0.646 41.116 42.059 -0.495 0.000 0.891 332 L HN 0.202 nan 8.230 nan 0.000 0.431 333 F N -0.414 119.400 119.950 -0.227 0.000 2.604 333 F HA -0.120 4.309 4.527 -0.164 0.000 0.298 333 F C 2.303 177.979 175.800 -0.206 0.000 1.131 333 F CA 0.785 58.700 58.000 -0.143 0.000 1.457 333 F CB -0.226 38.764 39.000 -0.018 0.000 1.095 333 F HN 0.161 nan 8.300 nan 0.000 0.574 334 Q N -1.745 117.953 119.800 -0.171 0.000 2.319 334 Q HA 0.063 4.307 4.340 -0.160 0.000 0.209 334 Q C 0.190 175.789 176.000 -0.668 0.000 0.884 334 Q CA 0.447 56.054 55.803 -0.326 0.000 0.938 334 Q CB 0.242 28.813 28.738 -0.279 0.000 1.098 334 Q HN 0.500 nan 8.270 nan 0.000 0.517 335 H N -0.589 118.141 119.070 -0.566 0.000 2.649 335 H HA 0.278 4.737 4.556 -0.161 0.000 0.258 335 H C -0.558 174.465 175.328 -0.508 0.000 1.165 335 H CA -0.176 55.522 56.048 -0.583 0.000 1.006 335 H CB 0.762 29.915 29.762 -1.014 0.000 1.743 335 H HN -0.187 nan 8.280 nan 0.000 0.609 336 R N 1.407 121.587 120.500 -0.535 0.000 2.629 336 R HA 0.177 4.421 4.340 -0.160 0.000 0.277 336 R C -2.205 173.827 176.300 -0.446 0.000 1.637 336 R CA -1.519 54.158 56.100 -0.705 0.000 1.663 336 R CB 0.696 29.912 30.300 -1.807 0.000 1.228 336 R HN 0.248 nan 8.270 nan 0.000 0.632 337 P HA -0.089 nan 4.420 nan 0.000 0.222 337 P C 0.981 178.274 177.300 -0.011 0.000 1.147 337 P CA 0.794 63.831 63.100 -0.104 0.000 0.790 337 P CB 0.462 32.111 31.700 -0.086 0.000 0.780 338 L N -2.795 118.443 121.223 0.025 0.000 2.478 338 L HA 0.053 4.297 4.340 -0.160 0.000 0.223 338 L C 0.979 178.026 176.870 0.296 0.000 1.140 338 L CA -0.023 54.905 54.840 0.146 0.000 0.842 338 L CB -0.663 41.503 42.059 0.179 0.000 0.953 338 L HN -0.070 nan 8.230 nan 0.000 0.452 339 W N 1.744 123.059 121.300 0.025 0.000 2.253 339 W HA 0.331 4.891 4.660 -0.167 0.000 0.322 339 W C 1.040 177.588 176.519 0.048 0.000 1.342 339 W CA -1.127 56.235 57.345 0.027 0.000 1.218 339 W CB -0.300 29.149 29.460 -0.018 0.000 1.205 339 W HN -0.106 nan 8.180 nan 0.000 0.551 340 G N 1.603 110.550 108.800 0.247 0.000 2.636 340 G HA2 0.347 4.211 3.960 -0.160 0.000 0.246 340 G HA3 0.347 4.211 3.960 -0.160 0.000 0.246 340 G C 0.999 176.006 174.900 0.178 0.000 1.216 340 G CA 0.150 45.348 45.100 0.164 0.000 0.854 340 G HN 0.594 nan 8.290 nan 0.000 0.572 341 K N -0.511 119.966 120.400 0.128 0.000 2.209 341 K HA -0.059 4.164 4.320 -0.160 0.000 0.204 341 K C 1.714 178.382 176.600 0.113 0.000 1.048 341 K CA 2.085 58.441 56.287 0.116 0.000 0.940 341 K CB -0.397 32.148 32.500 0.076 0.000 0.729 341 K HN 0.532 nan 8.250 nan 0.000 0.451 342 D N -0.199 120.263 120.400 0.103 0.000 2.348 342 D HA 0.066 4.610 4.640 -0.160 0.000 0.211 342 D C 0.007 176.380 176.300 0.121 0.000 0.998 342 D CA 0.048 54.102 54.000 0.091 0.000 0.873 342 D CB -0.012 40.828 40.800 0.066 0.000 0.925 342 D HN 0.203 nan 8.370 nan 0.000 0.524 343 V N 1.571 121.583 119.914 0.164 0.000 2.493 343 V HA 0.265 4.288 4.120 -0.160 0.000 0.292 343 V C 0.793 177.049 176.094 0.271 0.000 1.016 343 V CA -0.206 62.217 62.300 0.205 0.000 1.097 343 V CB 0.502 32.445 31.823 0.200 0.000 0.947 343 V HN 0.103 nan 8.190 nan 0.000 0.479 344 A N 5.508 128.479 122.820 0.252 0.000 2.284 344 A HA 0.888 5.111 4.320 -0.160 0.000 0.317 344 A C -0.610 177.007 177.584 0.054 0.000 1.120 344 A CA -0.629 51.487 52.037 0.132 0.000 0.900 344 A CB 1.529 20.634 19.000 0.175 0.000 1.319 344 A HN 0.619 nan 8.150 nan 0.000 0.494 345 V N 0.486 120.293 119.914 -0.178 0.000 2.378 345 V HA 0.585 4.609 4.120 -0.160 0.000 0.288 345 V C 0.649 176.522 176.094 -0.369 0.000 1.016 345 V CA -0.226 61.941 62.300 -0.223 0.000 0.840 345 V CB 1.136 32.748 31.823 -0.352 0.000 0.994 345 V HN 1.137 nan 8.190 nan 0.000 0.431 346 G N 3.581 112.054 108.800 -0.545 0.000 2.356 346 G HA2 0.613 4.477 3.960 -0.160 0.000 0.298 346 G HA3 0.613 4.477 3.960 -0.160 0.000 0.298 346 G C -0.691 174.061 174.900 -0.246 0.000 1.145 346 G CA -0.406 44.338 45.100 -0.593 0.000 0.850 346 G HN 0.662 nan 8.290 nan 0.000 0.487 347 K N 1.114 121.577 120.400 0.104 0.000 2.501 347 K HA 0.462 4.686 4.320 -0.160 0.000 0.252 347 K C 0.010 176.755 176.600 0.242 0.000 0.934 347 K CA -0.614 55.779 56.287 0.176 0.000 0.797 347 K CB 1.799 34.314 32.500 0.025 0.000 1.270 347 K HN 0.608 nan 8.250 nan 0.000 0.431 348 T N 1.337 116.053 114.554 0.271 0.000 2.918 348 T HA 0.146 4.400 4.350 -0.160 0.000 0.302 348 T C 1.516 176.188 174.700 -0.048 0.000 1.045 348 T CA -0.716 61.428 62.100 0.073 0.000 1.114 348 T CB 0.526 69.446 68.868 0.087 0.000 0.965 348 T HN 0.694 nan 8.240 nan 0.000 0.540 349 L N 1.742 122.879 121.223 -0.144 0.000 2.610 349 L HA 0.190 4.434 4.340 -0.160 0.000 0.232 349 L C 1.581 178.239 176.870 -0.355 0.000 1.149 349 L CA 0.379 55.069 54.840 -0.249 0.000 0.872 349 L CB -0.455 41.449 42.059 -0.259 0.000 0.992 349 L HN 0.623 nan 8.230 nan 0.000 0.447 350 V N -4.007 115.763 119.914 -0.240 0.000 3.647 350 V HA 0.283 4.307 4.120 -0.160 0.000 0.279 350 V C 1.090 177.309 176.094 0.207 0.000 1.314 350 V CA -0.245 61.958 62.300 -0.163 0.000 1.125 350 V CB -0.571 30.858 31.823 -0.657 0.000 0.907 350 V HN 0.338 nan 8.190 nan 0.000 0.434 351 S N 1.132 116.888 115.700 0.093 0.000 2.624 351 S HA 0.346 4.720 4.470 -0.160 0.000 0.263 351 S C 0.440 175.204 174.600 0.273 0.000 1.287 351 S CA 0.255 58.559 58.200 0.175 0.000 0.990 351 S CB 1.215 64.486 63.200 0.117 0.000 0.950 351 S HN 0.660 nan 8.310 nan 0.000 0.561 352 S N 0.610 116.457 115.700 0.245 0.000 2.560 352 S HA 0.196 4.570 4.470 -0.160 0.000 0.284 352 S C 1.126 175.924 174.600 0.331 0.000 1.327 352 S CA -0.260 58.169 58.200 0.383 0.000 1.055 352 S CB 0.336 63.676 63.200 0.232 0.000 0.868 352 S HN 0.786 nan 8.310 nan 0.000 0.506 353 A N 5.019 128.146 122.820 0.511 0.000 2.239 353 A HA 0.006 4.230 4.320 -0.160 0.000 0.209 353 A C 1.793 179.621 177.584 0.407 0.000 1.171 353 A CA 1.087 53.359 52.037 0.392 0.000 0.768 353 A CB -0.592 18.738 19.000 0.549 0.000 0.790 353 A HN 0.915 nan 8.150 nan 0.000 0.478 354 M N 0.046 119.934 119.600 0.480 0.000 2.213 354 M HA -0.077 4.307 4.480 -0.160 0.000 0.263 354 M C 1.580 177.913 176.300 0.054 0.000 1.062 354 M CA 1.592 57.098 55.300 0.344 0.000 1.105 354 M CB -0.640 32.162 32.600 0.337 0.000 1.385 354 M HN 0.423 nan 8.290 nan 0.000 0.417 355 I N 0.058 120.663 120.570 0.058 0.000 2.179 355 I HA -0.312 3.762 4.170 -0.160 0.000 0.242 355 I C 1.647 177.682 176.117 -0.136 0.000 1.088 355 I CA 1.459 62.729 61.300 -0.049 0.000 1.357 355 I CB -0.861 37.127 38.000 -0.020 0.000 1.051 355 I HN 0.240 nan 8.210 nan 0.000 0.409 356 D N 0.831 121.165 120.400 -0.110 0.000 2.116 356 D HA -0.180 4.364 4.640 -0.160 0.000 0.193 356 D C 2.322 178.470 176.300 -0.253 0.000 0.998 356 D CA 1.284 55.187 54.000 -0.162 0.000 0.836 356 D CB -0.284 40.439 40.800 -0.129 0.000 0.951 356 D HN 0.286 nan 8.370 nan 0.000 0.449 357 R N 0.364 120.653 120.500 -0.352 0.000 2.066 357 R HA -0.040 4.204 4.340 -0.160 0.000 0.232 357 R C 2.412 178.202 176.300 -0.850 0.000 1.131 357 R CA 0.696 56.405 56.100 -0.652 0.000 0.955 357 R CB -0.709 29.043 30.300 -0.913 0.000 0.851 357 R HN 0.135 nan 8.270 nan 0.000 0.432 358 V N 0.980 120.460 119.914 -0.722 0.000 2.287 358 V HA -0.223 3.800 4.120 -0.160 0.000 0.248 358 V C 2.452 178.392 176.094 -0.255 0.000 1.053 358 V CA 1.714 63.766 62.300 -0.414 0.000 1.027 358 V CB -0.337 31.360 31.823 -0.210 0.000 0.646 358 V HN 0.115 nan 8.190 nan 0.000 0.447 359 V N 0.603 120.356 119.914 -0.268 0.000 2.358 359 V HA -0.264 3.760 4.120 -0.160 0.000 0.246 359 V C 2.347 178.320 176.094 -0.202 0.000 1.047 359 V CA 2.269 64.412 62.300 -0.262 0.000 1.035 359 V CB -0.951 30.705 31.823 -0.278 0.000 0.658 359 V HN 0.695 nan 8.190 nan 0.000 0.452 360 N N 0.449 119.033 118.700 -0.192 0.000 2.104 360 N HA -0.263 4.380 4.740 -0.160 0.000 0.190 360 N C 1.745 177.204 175.510 -0.084 0.000 1.024 360 N CA 2.116 55.084 53.050 -0.136 0.000 0.853 360 N CB -0.105 38.296 38.487 -0.143 0.000 1.008 360 N HN 0.615 nan 8.380 nan 0.000 0.424 361 D N 0.259 120.617 120.400 -0.071 0.000 2.144 361 D HA -0.059 4.484 4.640 -0.160 0.000 0.199 361 D C 2.048 178.358 176.300 0.016 0.000 0.984 361 D CA 0.725 54.751 54.000 0.043 0.000 0.834 361 D CB -0.029 40.904 40.800 0.222 0.000 0.955 361 D HN 0.297 nan 8.370 nan 0.000 0.465 362 L N -0.802 120.403 121.223 -0.030 0.000 2.552 362 L HA 0.190 4.433 4.340 -0.160 0.000 0.227 362 L C 1.594 178.442 176.870 -0.037 0.000 1.146 362 L CA 0.484 55.305 54.840 -0.031 0.000 0.858 362 L CB -0.348 41.673 42.059 -0.063 0.000 0.969 362 L HN 0.318 nan 8.230 nan 0.000 0.451 363 G N 0.704 109.474 108.800 -0.050 0.000 2.198 363 G HA2 -0.252 3.612 3.960 -0.160 0.000 0.260 363 G HA3 -0.252 3.612 3.960 -0.160 0.000 0.260 363 G C 0.329 175.195 174.900 -0.056 0.000 1.025 363 G CA -0.010 45.065 45.100 -0.042 0.000 0.769 363 G HN 0.238 nan 8.290 nan 0.000 0.507 364 R N -0.363 120.071 120.500 -0.110 0.000 2.607 364 R HA 0.509 4.753 4.340 -0.160 0.000 0.261 364 R C 0.429 176.651 176.300 -0.131 0.000 1.051 364 R CA -0.813 55.204 56.100 -0.139 0.000 1.110 364 R CB 0.811 30.926 30.300 -0.309 0.000 1.158 364 R HN 0.288 nan 8.270 nan 0.000 0.543 365 K N 1.565 121.903 120.400 -0.103 0.000 2.258 365 K HA 0.172 4.396 4.320 -0.160 0.000 0.284 365 K C -0.722 175.804 176.600 -0.124 0.000 1.051 365 K CA -0.422 55.819 56.287 -0.078 0.000 0.923 365 K CB 0.565 33.057 32.500 -0.014 0.000 1.046 365 K HN 0.246 nan 8.250 nan 0.000 0.474 366 L N 5.606 126.754 121.223 -0.125 0.000 2.275 366 L HA 0.326 4.569 4.340 -0.160 0.000 0.288 366 L C -1.315 175.484 176.870 -0.119 0.000 1.046 366 L CA -0.337 54.414 54.840 -0.149 0.000 0.805 366 L CB 1.595 43.565 42.059 -0.148 0.000 1.193 366 L HN 0.397 nan 8.230 nan 0.000 0.426 367 V N 4.738 124.561 119.914 -0.152 0.000 2.304 367 V HA 0.507 4.531 4.120 -0.160 0.000 0.278 367 V C 0.350 176.382 176.094 -0.103 0.000 1.018 367 V CA -0.322 61.911 62.300 -0.111 0.000 0.814 367 V CB 0.732 32.495 31.823 -0.100 0.000 1.021 367 V HN 0.860 nan 8.190 nan 0.000 0.440 368 E N 4.084 124.225 120.200 -0.098 0.000 2.229 368 E HA 0.606 4.860 4.350 -0.160 0.000 0.283 368 E C -0.263 176.250 176.600 -0.145 0.000 1.030 368 E CA -0.167 56.166 56.400 -0.111 0.000 0.836 368 E CB 1.714 31.325 29.700 -0.149 0.000 1.068 368 E HN 1.038 nan 8.360 nan 0.000 0.401 369 V N -0.512 119.304 119.914 -0.163 0.000 3.113 369 V HA 0.901 4.925 4.120 -0.160 0.000 0.316 369 V C -2.869 173.020 176.094 -0.341 0.000 1.125 369 V CA -2.770 59.339 62.300 -0.319 0.000 1.026 369 V CB 1.919 33.536 31.823 -0.343 0.000 1.080 369 V HN 0.549 nan 8.190 nan 0.000 0.444 370 P HA 0.244 nan 4.420 nan 0.000 0.274 370 P C -0.317 176.934 177.300 -0.081 0.000 1.260 370 P CA -0.303 62.626 63.100 -0.286 0.000 0.793 370 P CB 0.298 31.802 31.700 -0.328 0.000 1.048 371 V N 0.119 120.039 119.914 0.009 0.000 2.694 371 V HA 0.348 4.372 4.120 -0.160 0.000 0.306 371 V C 0.929 177.138 176.094 0.192 0.000 1.054 371 V CA 1.631 63.980 62.300 0.083 0.000 1.161 371 V CB -0.925 30.949 31.823 0.085 0.000 0.916 371 V HN 0.990 nan 8.190 nan 0.000 0.490 372 G N 3.704 112.600 108.800 0.159 0.000 3.400 372 G HA2 -0.122 3.742 3.960 -0.160 0.000 0.679 372 G HA3 -0.122 3.742 3.960 -0.160 0.000 0.679 372 G C -0.470 174.449 174.900 0.032 0.000 1.239 372 G CA -0.313 44.862 45.100 0.125 0.000 1.049 372 G HN 0.639 nan 8.290 nan 0.000 0.539 373 F N 2.477 122.405 119.950 -0.036 0.000 2.365 373 F HA -0.032 4.389 4.527 -0.177 0.000 0.300 373 F C 2.799 178.552 175.800 -0.078 0.000 1.090 373 F CA 2.054 60.062 58.000 0.013 0.000 1.408 373 F CB 0.230 39.319 39.000 0.148 0.000 1.060 373 F HN 0.676 nan 8.300 nan 0.000 0.534 374 K N -0.840 119.501 120.400 -0.099 0.000 2.218 374 K HA -0.249 3.975 4.320 -0.160 0.000 0.205 374 K C 1.621 177.991 176.600 -0.383 0.000 1.046 374 K CA 1.992 58.121 56.287 -0.264 0.000 0.933 374 K CB -1.273 30.960 32.500 -0.444 0.000 0.728 374 K HN 0.421 nan 8.250 nan 0.000 0.454 375 W N -0.034 121.090 121.300 -0.293 0.000 2.699 375 W HA 0.064 4.623 4.660 -0.169 0.000 0.249 375 W C 0.861 177.251 176.519 -0.215 0.000 1.280 375 W CA -0.318 56.840 57.345 -0.311 0.000 1.345 375 W CB 0.021 29.227 29.460 -0.423 0.000 1.128 375 W HN -0.005 nan 8.180 nan 0.000 0.642 376 F N -1.960 118.020 119.950 0.051 0.000 2.731 376 F HA 0.070 4.488 4.527 -0.182 0.000 0.298 376 F C 1.885 177.716 175.800 0.051 0.000 1.106 376 F CA -0.325 57.733 58.000 0.097 0.000 1.329 376 F CB -1.077 37.686 39.000 -0.395 0.000 1.100 376 F HN -0.315 nan 8.300 nan 0.000 0.592 377 V N 0.231 120.233 119.914 0.145 0.000 2.295 377 V HA -0.284 3.740 4.120 -0.160 0.000 0.246 377 V C 1.994 178.139 176.094 0.085 0.000 1.049 377 V CA 2.182 64.555 62.300 0.121 0.000 1.024 377 V CB -0.440 31.409 31.823 0.044 0.000 0.648 377 V HN 0.150 nan 8.190 nan 0.000 0.447 378 D N 0.627 121.035 120.400 0.014 0.000 2.123 378 D HA -0.117 4.427 4.640 -0.160 0.000 0.196 378 D C 2.190 178.439 176.300 -0.086 0.000 0.992 378 D CA 1.665 55.656 54.000 -0.016 0.000 0.833 378 D CB -0.681 40.092 40.800 -0.044 0.000 0.954 378 D HN 0.457 nan 8.370 nan 0.000 0.455 379 G N 0.347 108.934 108.800 -0.356 0.000 2.402 379 G HA2 -0.175 3.689 3.960 -0.160 0.000 0.216 379 G HA3 -0.175 3.689 3.960 -0.160 0.000 0.216 379 G C 1.756 176.485 174.900 -0.285 0.000 1.162 379 G CA 0.264 44.879 45.100 -0.808 0.000 0.777 379 G HN 0.247 nan 8.290 nan 0.000 0.539 380 L N -0.818 120.402 121.223 -0.004 0.000 2.046 380 L HA 0.024 4.268 4.340 -0.160 0.000 0.208 380 L C 2.538 179.440 176.870 0.054 0.000 1.077 380 L CA 0.872 55.761 54.840 0.082 0.000 0.747 380 L CB -0.408 41.749 42.059 0.163 0.000 0.896 380 L HN 0.220 nan 8.230 nan 0.000 0.432 381 F N 2.065 121.986 119.950 -0.047 0.000 2.095 381 F HA -0.284 4.146 4.527 -0.162 0.000 0.298 381 F C 2.176 177.940 175.800 -0.059 0.000 1.104 381 F CA 2.073 60.046 58.000 -0.046 0.000 1.232 381 F CB -0.221 38.753 39.000 -0.043 0.000 0.987 381 F HN 0.347 nan 8.300 nan 0.000 0.475 382 D N -1.130 119.239 120.400 -0.051 0.000 2.339 382 D HA 0.143 4.687 4.640 -0.160 0.000 0.217 382 D C 1.690 177.902 176.300 -0.147 0.000 1.050 382 D CA 0.759 54.674 54.000 -0.141 0.000 0.856 382 D CB -0.459 40.326 40.800 -0.024 0.000 0.922 382 D HN 0.440 nan 8.370 nan 0.000 0.518 383 G N 0.308 109.020 108.800 -0.147 0.000 2.162 383 G HA2 -0.365 3.499 3.960 -0.160 0.000 0.260 383 G HA3 -0.365 3.499 3.960 -0.160 0.000 0.260 383 G C 1.156 175.993 174.900 -0.105 0.000 0.976 383 G CA 0.890 45.903 45.100 -0.145 0.000 0.655 383 G HN 0.679 nan 8.290 nan 0.000 0.533 384 S N -1.097 114.544 115.700 -0.098 0.000 2.470 384 S HA 0.407 4.781 4.470 -0.160 0.000 0.225 384 S C 0.679 175.378 174.600 0.166 0.000 1.006 384 S CA 0.275 58.456 58.200 -0.032 0.000 0.934 384 S CB 0.108 63.248 63.200 -0.099 0.000 0.778 384 S HN 0.341 nan 8.310 nan 0.000 0.517 385 F N 2.014 121.955 119.950 -0.016 0.000 2.415 385 F HA 0.682 5.121 4.527 -0.147 0.000 0.348 385 F C 1.451 177.193 175.800 -0.097 0.000 1.119 385 F CA -1.841 56.156 58.000 -0.006 0.000 1.069 385 F CB 1.019 40.021 39.000 0.004 0.000 1.124 385 F HN 0.119 nan 8.300 nan 0.000 0.472 386 G N 2.422 111.305 108.800 0.139 0.000 2.551 386 G HA2 -0.006 3.858 3.960 -0.160 0.000 0.216 386 G HA3 -0.006 3.858 3.960 -0.160 0.000 0.216 386 G C -0.432 174.491 174.900 0.038 0.000 1.137 386 G CA 0.458 45.364 45.100 -0.323 0.000 0.798 386 G HN 0.425 nan 8.290 nan 0.000 0.536 387 F N -0.534 119.486 119.950 0.117 0.000 2.628 387 F HA 0.580 4.994 4.527 -0.188 0.000 0.309 387 F C -0.655 175.031 175.800 -0.189 0.000 1.108 387 F CA -0.788 57.283 58.000 0.119 0.000 0.971 387 F CB 1.698 40.875 39.000 0.295 0.000 1.279 387 F HN 0.093 nan 8.300 nan 0.000 0.441 388 G N 2.245 110.568 108.800 -0.794 0.000 2.707 388 G HA2 0.600 4.463 3.960 -0.160 0.000 0.299 388 G HA3 0.600 4.463 3.960 -0.160 0.000 0.299 388 G C -1.386 172.904 174.900 -1.017 0.000 1.442 388 G CA -0.603 43.642 45.100 -1.424 0.000 1.009 388 G HN 1.027 nan 8.290 nan 0.000 0.515 389 G N 0.670 109.129 108.800 -0.570 0.000 2.620 389 G HA2 0.704 4.568 3.960 -0.160 0.000 0.301 389 G HA3 0.704 4.568 3.960 -0.160 0.000 0.301 389 G C -1.067 174.049 174.900 0.360 0.000 1.347 389 G CA -0.650 44.514 45.100 0.106 0.000 0.971 389 G HN 0.537 nan 8.290 nan 0.000 0.488 390 E N 0.245 120.689 120.200 0.407 0.000 2.238 390 E HA 0.239 4.493 4.350 -0.160 0.000 0.267 390 E C 0.028 176.768 176.600 0.234 0.000 0.887 390 E CA -0.701 55.907 56.400 0.347 0.000 0.769 390 E CB 2.362 32.288 29.700 0.377 0.000 1.187 390 E HN 0.602 nan 8.360 nan 0.000 0.416 391 E N 0.365 120.675 120.200 0.182 0.000 2.333 391 E HA -0.159 4.095 4.350 -0.160 0.000 0.198 391 E C 0.978 177.639 176.600 0.101 0.000 1.007 391 E CA 0.924 57.394 56.400 0.116 0.000 0.845 391 E CB -0.268 29.492 29.700 0.100 0.000 0.766 391 E HN 0.298 nan 8.360 nan 0.000 0.507 392 S N 0.123 115.902 115.700 0.131 0.000 2.840 392 S HA 0.497 4.871 4.470 -0.160 0.000 0.235 392 S C 0.962 175.571 174.600 0.016 0.000 0.968 392 S CA -0.132 58.122 58.200 0.089 0.000 1.026 392 S CB -0.551 62.727 63.200 0.129 0.000 0.788 392 S HN 0.748 nan 8.310 nan 0.000 0.487 393 A N -1.020 121.789 122.820 -0.019 0.000 2.930 393 A HA 0.073 4.297 4.320 -0.160 0.000 0.273 393 A C 0.639 178.103 177.584 -0.201 0.000 1.435 393 A CA 0.479 52.391 52.037 -0.209 0.000 0.780 393 A CB -1.866 16.950 19.000 -0.307 0.000 1.034 393 A HN 1.543 nan 8.150 nan 0.000 0.562 394 G N -1.552 107.289 108.800 0.069 0.000 2.643 394 G HA2 0.981 4.845 3.960 -0.160 0.000 0.305 394 G HA3 0.981 4.845 3.960 -0.160 0.000 0.305 394 G C -0.478 174.568 174.900 0.245 0.000 1.387 394 G CA 0.338 45.512 45.100 0.124 0.000 0.982 394 G HN 2.084 nan 8.290 nan 0.000 0.501 395 A N 0.956 123.893 122.820 0.195 0.000 2.610 395 A HA 0.932 5.156 4.320 -0.160 0.000 0.291 395 A C -0.700 176.874 177.584 -0.017 0.000 1.086 395 A CA -0.429 51.661 52.037 0.089 0.000 0.677 395 A CB 1.740 20.740 19.000 0.000 0.000 1.278 395 A HN 1.598 nan 8.150 nan 0.000 0.414 396 S N -1.037 114.624 115.700 -0.064 0.000 2.607 396 S HA 0.922 5.296 4.470 -0.160 0.000 0.273 396 S C -1.484 173.088 174.600 -0.046 0.000 1.148 396 S CA -0.334 57.851 58.200 -0.025 0.000 0.833 396 S CB 1.066 64.338 63.200 0.120 0.000 1.130 396 S HN 1.717 nan 8.310 nan 0.000 0.470 397 F N 0.318 120.248 119.950 -0.033 0.000 2.685 397 F HA 0.712 5.140 4.527 -0.165 0.000 0.315 397 F C -1.329 174.496 175.800 0.041 0.000 1.126 397 F CA -1.436 56.583 58.000 0.032 0.000 0.950 397 F CB 0.453 39.615 39.000 0.271 0.000 1.360 397 F HN 0.438 nan 8.300 nan 0.000 0.469 398 L N 2.014 123.313 121.223 0.127 0.000 2.464 398 L HA 0.457 4.701 4.340 -0.160 0.000 0.264 398 L C 0.711 177.702 176.870 0.202 0.000 1.199 398 L CA -0.778 54.066 54.840 0.007 0.000 0.818 398 L CB 0.406 42.237 42.059 -0.380 0.000 1.102 398 L HN 0.661 nan 8.230 nan 0.000 0.473 399 R N 0.190 120.765 120.500 0.125 0.000 2.863 399 R HA 0.002 4.246 4.340 -0.160 0.000 0.273 399 R C 0.936 177.419 176.300 0.306 0.000 1.057 399 R CA -0.176 55.996 56.100 0.121 0.000 1.191 399 R CB 0.125 30.526 30.300 0.169 0.000 1.104 399 R HN 0.370 nan 8.270 nan 0.000 0.519 400 F N 1.275 121.382 119.950 0.263 0.000 2.120 400 F HA -0.238 4.195 4.527 -0.157 0.000 0.300 400 F C 2.127 178.109 175.800 0.304 0.000 1.095 400 F CA 2.065 60.198 58.000 0.221 0.000 1.249 400 F CB -0.386 38.658 39.000 0.074 0.000 0.995 400 F HN 0.637 nan 8.300 nan 0.000 0.480 401 D N -1.078 119.568 120.400 0.410 0.000 2.363 401 D HA 0.093 4.637 4.640 -0.160 0.000 0.226 401 D C 1.733 178.181 176.300 0.248 0.000 1.020 401 D CA 0.924 55.097 54.000 0.288 0.000 0.892 401 D CB -0.468 40.442 40.800 0.184 0.000 0.900 401 D HN 0.361 nan 8.370 nan 0.000 0.531 402 G N -0.095 108.856 108.800 0.251 0.000 2.132 402 G HA2 -0.221 3.643 3.960 -0.160 0.000 0.234 402 G HA3 -0.221 3.643 3.960 -0.160 0.000 0.234 402 G C 0.333 175.175 174.900 -0.097 0.000 0.989 402 G CA 0.428 45.498 45.100 -0.050 0.000 0.676 402 G HN 0.810 nan 8.290 nan 0.000 0.522 403 T N -1.331 113.210 114.554 -0.021 0.000 2.945 403 T HA 0.799 5.053 4.350 -0.160 0.000 0.286 403 T C -2.629 172.049 174.700 -0.037 0.000 1.025 403 T CA -1.818 60.245 62.100 -0.061 0.000 1.039 403 T CB 3.264 72.107 68.868 -0.041 0.000 1.068 403 T HN 0.101 nan 8.240 nan 0.000 0.497 404 P HA 0.077 nan 4.420 nan 0.000 0.278 404 P C 0.048 177.386 177.300 0.062 0.000 1.238 404 P CA -0.635 62.459 63.100 -0.010 0.000 0.794 404 P CB 1.190 32.873 31.700 -0.030 0.000 0.955 405 W N 2.767 123.995 121.300 -0.119 0.000 2.780 405 W HA 0.150 4.712 4.660 -0.163 0.000 0.272 405 W C -0.550 175.911 176.519 -0.096 0.000 1.116 405 W CA 0.518 57.775 57.345 -0.148 0.000 1.600 405 W CB 0.436 29.741 29.460 -0.258 0.000 1.086 405 W HN 0.344 nan 8.180 nan 0.000 0.584 406 S N 0.150 115.851 115.700 0.002 0.000 2.572 406 S HA 0.269 4.643 4.470 -0.160 0.000 0.274 406 S C 0.214 174.864 174.600 0.083 0.000 1.150 406 S CA 0.089 58.264 58.200 -0.040 0.000 0.944 406 S CB 1.382 64.600 63.200 0.030 0.000 1.071 406 S HN 0.132 nan 8.310 nan 0.000 0.479 407 T N 0.225 114.837 114.554 0.097 0.000 3.086 407 T HA 0.232 4.486 4.350 -0.160 0.000 0.250 407 T C 0.360 175.226 174.700 0.276 0.000 1.074 407 T CA -0.001 62.220 62.100 0.202 0.000 0.988 407 T CB -0.108 68.871 68.868 0.184 0.000 0.988 407 T HN 0.512 nan 8.240 nan 0.000 0.530 408 D N 1.518 121.991 120.400 0.122 0.000 2.388 408 D HA 0.297 4.840 4.640 -0.160 0.000 0.254 408 D C -0.154 176.012 176.300 -0.224 0.000 1.111 408 D CA -0.612 53.388 54.000 0.001 0.000 0.993 408 D CB 1.344 42.108 40.800 -0.060 0.000 1.118 408 D HN 0.218 nan 8.370 nan 0.000 0.502 409 K N 0.915 120.893 120.400 -0.703 0.000 2.414 409 K HA 0.106 4.330 4.320 -0.160 0.000 0.272 409 K C -0.187 176.286 176.600 -0.212 0.000 0.993 409 K CA 0.067 55.954 56.287 -0.667 0.000 0.964 409 K CB 0.520 32.611 32.500 -0.683 0.000 0.925 409 K HN 0.242 nan 8.250 nan 0.000 0.487 410 D N 1.323 121.673 120.400 -0.082 0.000 2.476 410 D HA 0.181 4.725 4.640 -0.160 0.000 0.251 410 D C 0.533 176.873 176.300 0.066 0.000 1.291 410 D CA -0.512 53.510 54.000 0.036 0.000 0.939 410 D CB 1.515 42.385 40.800 0.117 0.000 1.221 410 D HN 0.608 nan 8.370 nan 0.000 0.567 411 G N 3.310 112.162 108.800 0.086 0.000 2.464 411 G HA2 -0.095 3.768 3.960 -0.160 0.000 0.217 411 G HA3 -0.095 3.768 3.960 -0.160 0.000 0.217 411 G C 1.442 176.392 174.900 0.085 0.000 1.138 411 G CA 0.246 45.420 45.100 0.123 0.000 0.793 411 G HN 0.532 nan 8.290 nan 0.000 0.539 412 I N 2.057 122.666 120.570 0.065 0.000 2.233 412 I HA -0.068 4.006 4.170 -0.160 0.000 0.243 412 I C 2.883 178.975 176.117 -0.042 0.000 1.093 412 I CA 0.791 62.076 61.300 -0.026 0.000 1.380 412 I CB -1.076 36.899 38.000 -0.042 0.000 1.067 412 I HN 0.354 nan 8.210 nan 0.000 0.413 413 I N -1.585 118.962 120.570 -0.038 0.000 2.361 413 I HA -0.245 3.829 4.170 -0.160 0.000 0.251 413 I C 2.391 178.530 176.117 0.037 0.000 1.133 413 I CA 1.391 62.607 61.300 -0.140 0.000 1.413 413 I CB -0.452 37.262 38.000 -0.477 0.000 1.073 413 I HN 0.026 nan 8.210 nan 0.000 0.424 414 M N 0.910 120.524 119.600 0.023 0.000 2.200 414 M HA -0.101 4.283 4.480 -0.160 0.000 0.265 414 M C 2.448 178.718 176.300 -0.050 0.000 1.066 414 M CA 1.299 56.592 55.300 -0.010 0.000 1.127 414 M CB -1.459 30.841 32.600 -0.500 0.000 1.379 414 M HN 0.476 nan 8.290 nan 0.000 0.420 415 C N 0.200 119.406 119.300 -0.156 0.000 2.453 415 C HA -0.089 4.275 4.460 -0.160 0.000 0.277 415 C C 2.890 177.512 174.990 -0.614 0.000 1.262 415 C CA 0.491 59.198 59.018 -0.520 0.000 1.718 415 C CB -1.126 26.245 27.740 -0.615 0.000 2.031 415 C HN 0.481 nan 8.230 nan 0.000 0.480 416 L N 0.277 121.337 121.223 -0.272 0.000 2.131 416 L HA -0.140 4.104 4.340 -0.160 0.000 0.210 416 L C 2.497 179.334 176.870 -0.055 0.000 1.092 416 L CA 0.803 55.565 54.840 -0.130 0.000 0.759 416 L CB -0.637 41.380 42.059 -0.071 0.000 0.903 416 L HN 0.324 nan 8.230 nan 0.000 0.435 417 L N 0.340 121.560 121.223 -0.004 0.000 2.042 417 L HA -0.195 4.048 4.340 -0.160 0.000 0.210 417 L C 2.662 179.512 176.870 -0.034 0.000 1.076 417 L CA 2.029 56.861 54.840 -0.013 0.000 0.749 417 L CB -0.699 41.368 42.059 0.013 0.000 0.893 417 L HN 0.164 nan 8.230 nan 0.000 0.432 418 A N -0.565 122.307 122.820 0.086 0.000 1.908 418 A HA -0.170 4.054 4.320 -0.160 0.000 0.218 418 A C 2.449 180.083 177.584 0.085 0.000 1.181 418 A CA 2.038 54.142 52.037 0.111 0.000 0.627 418 A CB -1.171 17.874 19.000 0.074 0.000 0.818 418 A HN 0.599 nan 8.150 nan 0.000 0.445 419 A N -0.532 122.370 122.820 0.135 0.000 1.898 419 A HA -0.144 4.080 4.320 -0.160 0.000 0.216 419 A C 2.022 179.615 177.584 0.016 0.000 1.181 419 A CA 1.710 53.828 52.037 0.135 0.000 0.620 419 A CB -0.566 18.571 19.000 0.228 0.000 0.819 419 A HN 0.678 nan 8.150 nan 0.000 0.442 420 E N 0.011 120.184 120.200 -0.045 0.000 2.049 420 E HA -0.232 4.022 4.350 -0.160 0.000 0.198 420 E C 1.873 178.323 176.600 -0.251 0.000 1.007 420 E CA 1.720 58.056 56.400 -0.108 0.000 0.809 420 E CB -0.295 29.340 29.700 -0.109 0.000 0.749 420 E HN 0.647 nan 8.360 nan 0.000 0.450 421 I N 0.743 121.030 120.570 -0.471 0.000 2.151 421 I HA -0.306 3.768 4.170 -0.160 0.000 0.243 421 I C 2.521 178.528 176.117 -0.183 0.000 1.080 421 I CA 1.732 62.640 61.300 -0.653 0.000 1.339 421 I CB -0.460 37.167 38.000 -0.620 0.000 1.039 421 I HN 0.212 nan 8.210 nan 0.000 0.409 422 T N 0.594 115.112 114.554 -0.060 0.000 2.746 422 T HA -0.140 4.114 4.350 -0.160 0.000 0.267 422 T C 2.032 176.745 174.700 0.022 0.000 1.039 422 T CA 1.417 63.531 62.100 0.025 0.000 1.142 422 T CB -0.350 68.540 68.868 0.037 0.000 0.866 422 T HN 0.485 nan 8.240 nan 0.000 0.444 423 A N 0.878 123.701 122.820 0.006 0.000 1.898 423 A HA 0.016 4.239 4.320 -0.160 0.000 0.216 423 A C 2.585 180.189 177.584 0.032 0.000 1.181 423 A CA 1.169 53.219 52.037 0.023 0.000 0.620 423 A CB -0.878 18.137 19.000 0.026 0.000 0.819 423 A HN 0.346 nan 8.150 nan 0.000 0.442 424 V N 0.282 120.209 119.914 0.023 0.000 2.379 424 V HA -0.157 3.866 4.120 -0.160 0.000 0.245 424 V C 2.818 178.970 176.094 0.097 0.000 1.044 424 V CA 2.311 64.651 62.300 0.067 0.000 1.036 424 V CB -0.953 30.932 31.823 0.104 0.000 0.664 424 V HN 0.820 nan 8.190 nan 0.000 0.453 425 T N -3.185 111.432 114.554 0.106 0.000 3.044 425 T HA 0.284 4.538 4.350 -0.160 0.000 0.250 425 T C 1.628 176.397 174.700 0.114 0.000 1.081 425 T CA 0.943 63.145 62.100 0.170 0.000 1.040 425 T CB 0.653 69.724 68.868 0.338 0.000 0.962 425 T HN 0.910 nan 8.240 nan 0.000 0.506 426 G N 1.466 110.312 108.800 0.077 0.000 2.189 426 G HA2 -0.257 3.607 3.960 -0.160 0.000 0.267 426 G HA3 -0.257 3.607 3.960 -0.160 0.000 0.267 426 G C -0.092 174.817 174.900 0.015 0.000 0.975 426 G CA 0.443 45.567 45.100 0.041 0.000 0.644 426 G HN 0.692 nan 8.290 nan 0.000 0.537 427 K N 0.585 120.996 120.400 0.019 0.000 2.397 427 K HA 0.415 4.639 4.320 -0.160 0.000 0.253 427 K C 0.077 176.699 176.600 0.036 0.000 0.932 427 K CA -0.681 55.561 56.287 -0.075 0.000 0.795 427 K CB 1.422 33.701 32.500 -0.367 0.000 1.159 427 K HN 0.318 nan 8.250 nan 0.000 0.424 428 N N 1.874 120.597 118.700 0.039 0.000 2.354 428 N HA 0.101 4.745 4.740 -0.160 0.000 0.246 428 N C -2.162 173.475 175.510 0.211 0.000 1.285 428 N CA -1.288 51.824 53.050 0.103 0.000 0.925 428 N CB 0.147 38.666 38.487 0.052 0.000 1.174 428 N HN 0.121 nan 8.380 nan 0.000 0.478 429 P HA -0.144 nan 4.420 nan 0.000 0.218 429 P C 1.261 178.747 177.300 0.309 0.000 1.149 429 P CA 1.325 64.615 63.100 0.317 0.000 0.817 429 P CB 0.155 32.041 31.700 0.310 0.000 0.785 430 Q N 0.573 120.495 119.800 0.202 0.000 2.096 430 Q HA -0.203 4.041 4.340 -0.160 0.000 0.204 430 Q C 1.949 178.063 176.000 0.191 0.000 0.982 430 Q CA 1.861 57.778 55.803 0.190 0.000 0.850 430 Q CB -0.858 27.945 28.738 0.108 0.000 0.901 430 Q HN 0.317 nan 8.270 nan 0.000 0.422 431 E N -1.227 119.040 120.200 0.111 0.000 2.106 431 E HA -0.185 4.069 4.350 -0.160 0.000 0.192 431 E C 2.057 178.665 176.600 0.012 0.000 0.984 431 E CA 0.953 57.369 56.400 0.027 0.000 0.806 431 E CB -0.191 29.472 29.700 -0.062 0.000 0.750 431 E HN 0.505 nan 8.360 nan 0.000 0.458 432 H N -0.582 118.557 119.070 0.115 0.000 2.352 432 H HA -0.167 4.292 4.556 -0.162 0.000 0.299 432 H C 1.952 177.354 175.328 0.122 0.000 1.097 432 H CA 1.479 57.595 56.048 0.113 0.000 1.311 432 H CB -0.299 29.541 29.762 0.129 0.000 1.377 432 H HN 0.267 nan 8.280 nan 0.000 0.504 433 Y N 2.431 122.845 120.300 0.190 0.000 2.224 433 Y HA -0.215 4.241 4.550 -0.157 0.000 0.289 433 Y C 2.115 178.050 175.900 0.058 0.000 1.146 433 Y CA 1.230 59.398 58.100 0.114 0.000 1.182 433 Y CB -0.155 38.361 38.460 0.094 0.000 0.983 433 Y HN 0.147 nan 8.280 nan 0.000 0.524 434 N N 0.597 119.344 118.700 0.078 0.000 2.104 434 N HA -0.194 4.450 4.740 -0.160 0.000 0.190 434 N C 1.622 177.080 175.510 -0.086 0.000 1.024 434 N CA 1.883 54.925 53.050 -0.012 0.000 0.853 434 N CB -0.437 38.075 38.487 0.042 0.000 1.008 434 N HN 0.591 nan 8.380 nan 0.000 0.424 435 E N 0.795 120.962 120.200 -0.055 0.000 2.110 435 E HA -0.065 4.189 4.350 -0.160 0.000 0.193 435 E C 2.131 178.663 176.600 -0.113 0.000 0.988 435 E CA 0.530 56.891 56.400 -0.064 0.000 0.804 435 E CB -0.098 29.597 29.700 -0.009 0.000 0.745 435 E HN 0.300 nan 8.360 nan 0.000 0.458 436 L N 0.593 121.743 121.223 -0.121 0.000 2.017 436 L HA -0.178 4.066 4.340 -0.160 0.000 0.208 436 L C 2.637 179.419 176.870 -0.147 0.000 1.073 436 L CA 1.027 55.813 54.840 -0.089 0.000 0.745 436 L CB -0.549 41.461 42.059 -0.081 0.000 0.894 436 L HN 0.157 nan 8.230 nan 0.000 0.432 437 A N 0.033 122.644 122.820 -0.348 0.000 1.978 437 A HA -0.190 4.034 4.320 -0.160 0.000 0.220 437 A C 2.495 180.022 177.584 -0.096 0.000 1.170 437 A CA 1.782 53.689 52.037 -0.217 0.000 0.636 437 A CB -0.612 18.231 19.000 -0.261 0.000 0.810 437 A HN 0.435 nan 8.150 nan 0.000 0.448 438 A N -0.301 122.441 122.820 -0.131 0.000 1.930 438 A HA -0.107 4.117 4.320 -0.160 0.000 0.217 438 A C 2.235 179.706 177.584 -0.189 0.000 1.175 438 A CA 1.425 53.390 52.037 -0.119 0.000 0.627 438 A CB -0.350 18.586 19.000 -0.106 0.000 0.815 438 A HN 0.560 nan 8.150 nan 0.000 0.443 439 R N -2.098 118.194 120.500 -0.347 0.000 2.119 439 R HA 0.058 4.302 4.340 -0.160 0.000 0.222 439 R C 0.810 176.688 176.300 -0.702 0.000 1.088 439 R CA 1.361 57.069 56.100 -0.654 0.000 0.984 439 R CB -0.144 29.493 30.300 -1.106 0.000 0.884 439 R HN 0.562 nan 8.270 nan 0.000 0.447 440 F N -0.915 119.029 119.950 -0.011 0.000 2.728 440 F HA 0.402 4.837 4.527 -0.154 0.000 0.314 440 F C 0.806 176.675 175.800 0.115 0.000 1.094 440 F CA 0.171 58.180 58.000 0.014 0.000 1.217 440 F CB 0.953 39.971 39.000 0.031 0.000 1.056 440 F HN 0.082 nan 8.300 nan 0.000 0.577 441 G N 0.870 109.821 108.800 0.251 0.000 2.663 441 G HA2 0.290 4.154 3.960 -0.160 0.000 0.686 441 G HA3 0.290 4.154 3.960 -0.160 0.000 0.686 441 G C -0.832 174.244 174.900 0.293 0.000 1.246 441 G CA -0.787 44.497 45.100 0.306 0.000 0.795 441 G HN 0.592 nan 8.290 nan 0.000 0.627 442 A N 2.880 125.795 122.820 0.158 0.000 2.444 442 A HA 0.801 5.024 4.320 -0.160 0.000 0.332 442 A C -1.229 176.341 177.584 -0.023 0.000 1.430 442 A CA -0.992 51.082 52.037 0.062 0.000 0.975 442 A CB 0.441 19.480 19.000 0.065 0.000 1.147 442 A HN 0.758 nan 8.150 nan 0.000 0.524 443 P HA 0.183 nan 4.420 nan 0.000 0.272 443 P C -0.182 177.071 177.300 -0.078 0.000 1.223 443 P CA -0.015 62.824 63.100 -0.436 0.000 0.784 443 P CB 1.351 32.533 31.700 -0.863 0.000 0.923 444 S N 1.949 117.620 115.700 -0.048 0.000 2.498 444 S HA 0.476 4.850 4.470 -0.160 0.000 0.317 444 S C -1.529 173.102 174.600 0.052 0.000 1.090 444 S CA -0.597 57.628 58.200 0.042 0.000 1.089 444 S CB -0.029 63.189 63.200 0.029 0.000 0.997 444 S HN 0.438 nan 8.310 nan 0.000 0.470 445 Y N 4.793 125.070 120.300 -0.038 0.000 2.446 445 Y HA 0.701 5.383 4.550 0.220 0.000 0.345 445 Y C -0.520 175.351 175.900 -0.048 0.000 0.984 445 Y CA -0.566 57.502 58.100 -0.053 0.000 1.058 445 Y CB 1.590 40.067 38.460 0.029 0.000 1.220 445 Y HN 0.779 nan 8.280 nan 0.000 0.455 446 N N 2.380 120.860 118.700 -0.367 0.000 2.591 446 N HA 0.703 5.347 4.740 -0.160 0.000 0.263 446 N C -1.742 173.553 175.510 -0.358 0.000 1.308 446 N CA -0.413 52.509 53.050 -0.213 0.000 0.837 446 N CB 1.640 40.034 38.487 -0.156 0.000 1.548 446 N HN 0.932 nan 8.380 nan 0.000 0.493 447 R N 1.089 121.463 120.500 -0.210 0.000 2.534 447 R HA 0.808 5.052 4.340 -0.160 0.000 0.301 447 R C -0.990 175.156 176.300 -0.258 0.000 0.961 447 R CA -0.523 55.400 56.100 -0.295 0.000 0.871 447 R CB 0.103 30.250 30.300 -0.256 0.000 1.170 447 R HN 0.565 nan 8.270 nan 0.000 0.446 448 L N 0.840 121.881 121.223 -0.304 0.000 2.322 448 L HA 0.968 5.212 4.340 -0.160 0.000 0.269 448 L C 0.646 177.311 176.870 -0.341 0.000 1.012 448 L CA -1.184 53.494 54.840 -0.270 0.000 0.815 448 L CB 2.010 43.921 42.059 -0.246 0.000 1.295 448 L HN 0.961 nan 8.230 nan 0.000 0.438 449 Q N 0.638 120.242 119.800 -0.327 0.000 2.416 449 Q HA 0.904 5.148 4.340 -0.160 0.000 0.281 449 Q C -1.408 174.345 176.000 -0.410 0.000 1.067 449 Q CA -0.230 55.325 55.803 -0.413 0.000 0.809 449 Q CB 2.553 31.133 28.738 -0.262 0.000 1.418 449 Q HN 1.007 nan 8.270 nan 0.000 0.411 450 A N -0.010 122.489 122.820 -0.535 0.000 2.564 450 A HA 0.863 5.086 4.320 -0.160 0.000 0.291 450 A C -0.446 177.143 177.584 0.010 0.000 1.102 450 A CA -0.006 51.911 52.037 -0.199 0.000 0.660 450 A CB 0.762 19.730 19.000 -0.054 0.000 1.283 450 A HN 1.221 nan 8.150 nan 0.000 0.430 451 S N -0.469 115.303 115.700 0.120 0.000 2.585 451 S HA 0.663 5.037 4.470 -0.160 0.000 0.273 451 S C 0.207 174.955 174.600 0.246 0.000 1.339 451 S CA 0.353 58.647 58.200 0.157 0.000 1.028 451 S CB 1.132 64.381 63.200 0.082 0.000 0.906 451 S HN 1.896 nan 8.310 nan 0.000 0.528 452 A N 1.440 124.360 122.820 0.167 0.000 2.572 452 A HA 0.715 4.939 4.320 -0.160 0.000 0.295 452 A C 0.043 177.650 177.584 0.037 0.000 1.072 452 A CA -0.877 51.196 52.037 0.060 0.000 0.691 452 A CB 0.740 19.733 19.000 -0.011 0.000 1.291 452 A HN 0.807 nan 8.150 nan 0.000 0.404 453 T N -0.606 113.951 114.554 0.005 0.000 2.856 453 T HA 0.301 4.555 4.350 -0.160 0.000 0.306 453 T C 1.215 175.922 174.700 0.012 0.000 1.062 453 T CA 0.662 62.767 62.100 0.008 0.000 1.083 453 T CB 0.860 69.727 68.868 -0.001 0.000 0.984 453 T HN 0.616 nan 8.240 nan 0.000 0.542 454 S N 1.142 116.852 115.700 0.016 0.000 2.382 454 S HA -0.043 4.331 4.470 -0.160 0.000 0.228 454 S C 2.416 177.025 174.600 0.014 0.000 1.027 454 S CA 1.041 59.253 58.200 0.020 0.000 0.991 454 S CB -0.990 62.222 63.200 0.020 0.000 0.823 454 S HN 0.890 nan 8.310 nan 0.000 0.469 455 A N 1.011 123.835 122.820 0.007 0.000 1.902 455 A HA -0.187 4.037 4.320 -0.160 0.000 0.217 455 A C 2.063 179.645 177.584 -0.005 0.000 1.181 455 A CA 1.530 53.569 52.037 0.002 0.000 0.623 455 A CB -0.615 18.384 19.000 -0.001 0.000 0.818 455 A HN 0.571 nan 8.150 nan 0.000 0.443 456 Q N -0.817 118.973 119.800 -0.015 0.000 2.079 456 Q HA -0.178 4.066 4.340 -0.160 0.000 0.200 456 Q C 2.214 178.199 176.000 -0.026 0.000 0.974 456 Q CA 1.694 57.475 55.803 -0.037 0.000 0.840 456 Q CB -0.178 28.518 28.738 -0.070 0.000 0.898 456 Q HN 0.717 nan 8.270 nan 0.000 0.430 457 K N 0.444 120.843 120.400 -0.002 0.000 2.057 457 K HA -0.167 4.057 4.320 -0.160 0.000 0.207 457 K C 1.992 178.612 176.600 0.033 0.000 1.049 457 K CA 1.197 57.502 56.287 0.029 0.000 0.931 457 K CB -0.109 32.420 32.500 0.048 0.000 0.714 457 K HN 0.174 nan 8.250 nan 0.000 0.440 458 A N 0.916 123.751 122.820 0.024 0.000 1.873 458 A HA -0.054 4.170 4.320 -0.160 0.000 0.215 458 A C 2.328 179.925 177.584 0.021 0.000 1.186 458 A CA 1.720 53.772 52.037 0.025 0.000 0.616 458 A CB -0.853 18.159 19.000 0.020 0.000 0.823 458 A HN 0.457 nan 8.150 nan 0.000 0.442 459 A N -0.601 122.225 122.820 0.010 0.000 1.972 459 A HA -0.055 4.169 4.320 -0.160 0.000 0.219 459 A C 2.073 179.664 177.584 0.012 0.000 1.169 459 A CA 1.726 53.766 52.037 0.007 0.000 0.635 459 A CB -0.570 18.427 19.000 -0.005 0.000 0.810 459 A HN 0.628 nan 8.150 nan 0.000 0.446 460 L N 0.263 121.494 121.223 0.013 0.000 2.083 460 L HA -0.111 4.133 4.340 -0.160 0.000 0.209 460 L C 2.425 179.323 176.870 0.047 0.000 1.083 460 L CA 2.513 57.370 54.840 0.030 0.000 0.752 460 L CB -0.772 41.310 42.059 0.037 0.000 0.899 460 L HN 0.318 nan 8.230 nan 0.000 0.433 461 S N -0.360 115.367 115.700 0.045 0.000 2.402 461 S HA -0.063 4.311 4.470 -0.160 0.000 0.229 461 S C 1.587 176.207 174.600 0.033 0.000 1.021 461 S CA 1.405 59.632 58.200 0.046 0.000 0.974 461 S CB -0.482 62.746 63.200 0.047 0.000 0.800 461 S HN 0.608 nan 8.310 nan 0.000 0.484 462 K N 1.001 121.417 120.400 0.026 0.000 3.010 462 K HA 0.578 4.802 4.320 -0.160 0.000 0.211 462 K C -0.090 176.519 176.600 0.015 0.000 1.146 462 K CA -0.206 56.092 56.287 0.019 0.000 1.070 462 K CB -0.596 31.914 32.500 0.017 0.000 0.908 462 K HN 0.295 nan 8.250 nan 0.000 0.463 463 L N 1.147 122.381 121.223 0.018 0.000 2.456 463 L HA 0.480 4.724 4.340 -0.160 0.000 0.257 463 L C 1.011 177.888 176.870 0.011 0.000 1.162 463 L CA -0.814 54.036 54.840 0.017 0.000 0.808 463 L CB 1.775 43.851 42.059 0.027 0.000 1.136 463 L HN 0.470 nan 8.230 nan 0.000 0.466 464 S N -0.388 115.318 115.700 0.010 0.000 2.578 464 S HA 0.502 4.876 4.470 -0.160 0.000 0.301 464 S C -2.200 172.403 174.600 0.005 0.000 1.091 464 S CA -1.340 56.863 58.200 0.004 0.000 1.032 464 S CB 1.945 65.147 63.200 0.003 0.000 1.064 464 S HN 0.311 nan 8.310 nan 0.000 0.508 465 P HA -0.158 nan 4.420 nan 0.000 0.213 465 P C 1.659 178.962 177.300 0.005 0.000 1.170 465 P CA 1.201 64.299 63.100 -0.005 0.000 0.898 465 P CB -0.069 31.623 31.700 -0.014 0.000 0.787 466 E N -0.142 120.060 120.200 0.004 0.000 2.284 466 E HA -0.233 4.021 4.350 -0.160 0.000 0.200 466 E C 1.676 178.284 176.600 0.013 0.000 1.008 466 E CA 1.208 57.612 56.400 0.008 0.000 0.829 466 E CB -0.769 28.934 29.700 0.005 0.000 0.744 466 E HN 0.215 nan 8.360 nan 0.000 0.491 467 M N 0.789 120.397 119.600 0.015 0.000 2.557 467 M HA -0.028 4.356 4.480 -0.160 0.000 0.259 467 M C 0.083 176.400 176.300 0.029 0.000 1.086 467 M CA 0.451 55.762 55.300 0.019 0.000 1.096 467 M CB 0.275 32.886 32.600 0.018 0.000 1.424 467 M HN -0.164 nan 8.290 nan 0.000 0.488 468 V N 1.554 121.490 119.914 0.035 0.000 2.299 468 V HA 0.037 4.061 4.120 -0.160 0.000 0.255 468 V C 1.358 177.479 176.094 0.045 0.000 1.100 468 V CA 0.029 62.361 62.300 0.053 0.000 0.938 468 V CB 0.249 32.115 31.823 0.072 0.000 1.139 468 V HN 0.441 nan 8.190 nan 0.000 0.490 469 S N 3.780 119.504 115.700 0.039 0.000 2.428 469 S HA 0.042 4.416 4.470 -0.160 0.000 0.230 469 S C 1.259 175.881 174.600 0.037 0.000 1.014 469 S CA 0.494 58.713 58.200 0.032 0.000 0.957 469 S CB -0.079 63.135 63.200 0.025 0.000 0.784 469 S HN 0.965 nan 8.310 nan 0.000 0.499 470 A N 1.020 123.868 122.820 0.047 0.000 2.565 470 A HA 0.547 4.771 4.320 -0.160 0.000 0.237 470 A C 1.300 178.916 177.584 0.054 0.000 1.053 470 A CA 0.545 52.613 52.037 0.052 0.000 0.755 470 A CB -0.399 18.642 19.000 0.069 0.000 0.980 470 A HN 0.813 nan 8.150 nan 0.000 0.506 471 S N 0.965 116.694 115.700 0.048 0.000 2.512 471 S HA 0.418 4.792 4.470 -0.160 0.000 0.216 471 S C 0.759 175.392 174.600 0.054 0.000 1.006 471 S CA 0.789 59.016 58.200 0.045 0.000 0.915 471 S CB 0.324 63.545 63.200 0.035 0.000 0.824 471 S HN 0.693 nan 8.310 nan 0.000 0.497 472 T N 1.555 116.146 114.554 0.062 0.000 2.861 472 T HA 0.627 4.881 4.350 -0.160 0.000 0.287 472 T C -1.532 173.221 174.700 0.088 0.000 1.003 472 T CA -0.353 61.789 62.100 0.071 0.000 0.977 472 T CB 1.701 70.604 68.868 0.059 0.000 0.996 472 T HN 0.204 nan 8.240 nan 0.000 0.448 473 L N 3.518 124.805 121.223 0.107 0.000 2.316 473 L HA 0.695 4.939 4.340 -0.160 0.000 0.280 473 L C 0.401 177.330 176.870 0.097 0.000 1.006 473 L CA 0.009 54.920 54.840 0.119 0.000 0.836 473 L CB 0.488 42.654 42.059 0.177 0.000 1.221 473 L HN 0.937 nan 8.230 nan 0.000 0.418 474 A N 3.981 126.826 122.820 0.041 0.000 2.466 474 A HA 0.140 4.364 4.320 -0.160 0.000 0.295 474 A C 1.534 179.218 177.584 0.168 0.000 1.465 474 A CA 1.372 53.414 52.037 0.008 0.000 0.744 474 A CB -2.031 16.805 19.000 -0.273 0.000 1.098 474 A HN 2.426 nan 8.150 nan 0.000 0.402 475 G N -1.252 107.623 108.800 0.124 0.000 2.268 475 G HA2 -0.212 3.652 3.960 -0.160 0.000 0.240 475 G HA3 -0.212 3.652 3.960 -0.160 0.000 0.240 475 G C -0.155 174.813 174.900 0.113 0.000 1.010 475 G CA 0.635 45.810 45.100 0.124 0.000 0.618 475 G HN 1.163 nan 8.290 nan 0.000 0.516 476 D N 1.607 122.090 120.400 0.139 0.000 2.252 476 D HA 0.519 5.063 4.640 -0.160 0.000 0.245 476 D C -2.673 173.684 176.300 0.094 0.000 1.009 476 D CA -1.489 52.577 54.000 0.111 0.000 0.870 476 D CB 1.568 42.447 40.800 0.133 0.000 1.251 476 D HN -0.011 nan 8.370 nan 0.000 0.460 477 P HA 0.020 nan 4.420 nan 0.000 0.262 477 P C 0.018 177.358 177.300 0.067 0.000 1.182 477 P CA 0.274 63.410 63.100 0.059 0.000 0.761 477 P CB 0.410 32.136 31.700 0.044 0.000 0.795 478 I N 3.037 123.645 120.570 0.063 0.000 2.517 478 I HA -0.034 4.040 4.170 -0.160 0.000 0.285 478 I C 1.672 177.814 176.117 0.041 0.000 1.106 478 I CA 0.617 61.954 61.300 0.061 0.000 1.402 478 I CB 0.509 38.545 38.000 0.059 0.000 1.399 478 I HN 0.457 nan 8.210 nan 0.000 0.535 479 T N 2.137 116.715 114.554 0.039 0.000 3.037 479 T HA 0.481 4.735 4.350 -0.160 0.000 0.251 479 T C 0.407 175.109 174.700 0.004 0.000 1.079 479 T CA 0.065 62.178 62.100 0.021 0.000 1.067 479 T CB 0.431 69.313 68.868 0.023 0.000 0.948 479 T HN 0.633 nan 8.240 nan 0.000 0.496 480 A N 0.726 123.546 122.820 -0.000 0.000 2.589 480 A HA 0.778 5.002 4.320 -0.160 0.000 0.296 480 A C -1.308 176.255 177.584 -0.036 0.000 1.062 480 A CA -1.155 50.868 52.037 -0.022 0.000 0.686 480 A CB 1.311 20.288 19.000 -0.039 0.000 1.282 480 A HN 0.265 nan 8.150 nan 0.000 0.404 481 R N 1.149 121.625 120.500 -0.041 0.000 2.468 481 R HA 0.582 4.826 4.340 -0.160 0.000 0.302 481 R C -1.535 174.730 176.300 -0.057 0.000 1.041 481 R CA -0.285 55.784 56.100 -0.052 0.000 0.899 481 R CB 1.485 31.769 30.300 -0.026 0.000 1.167 481 R HN 0.635 nan 8.270 nan 0.000 0.483 482 L N 1.321 122.497 121.223 -0.078 0.000 2.346 482 L HA 0.523 4.767 4.340 -0.160 0.000 0.276 482 L C 0.707 177.537 176.870 -0.065 0.000 1.006 482 L CA -0.588 54.207 54.840 -0.076 0.000 0.817 482 L CB 2.277 44.276 42.059 -0.100 0.000 1.272 482 L HN 0.529 nan 8.230 nan 0.000 0.421 483 T N 0.690 115.211 114.554 -0.055 0.000 2.975 483 T HA 0.392 4.646 4.350 -0.160 0.000 0.257 483 T C 0.186 174.849 174.700 -0.061 0.000 1.003 483 T CA 0.191 62.265 62.100 -0.043 0.000 0.932 483 T CB 0.583 69.436 68.868 -0.025 0.000 1.087 483 T HN 0.659 nan 8.240 nan 0.000 0.512 484 A N 0.773 123.544 122.820 -0.082 0.000 2.454 484 A HA 0.879 5.103 4.320 -0.160 0.000 0.302 484 A C -0.447 177.050 177.584 -0.144 0.000 1.079 484 A CA -0.760 51.209 52.037 -0.113 0.000 0.731 484 A CB 1.104 20.044 19.000 -0.101 0.000 1.299 484 A HN 0.317 nan 8.150 nan 0.000 0.413 485 A N 2.209 124.910 122.820 -0.197 0.000 2.492 485 A HA 0.539 4.763 4.320 -0.160 0.000 0.254 485 A C -1.645 175.834 177.584 -0.174 0.000 1.091 485 A CA -0.985 50.922 52.037 -0.217 0.000 0.768 485 A CB -0.342 18.472 19.000 -0.311 0.000 1.028 485 A HN 0.517 nan 8.150 nan 0.000 0.498 486 P HA -0.119 nan 4.420 nan 0.000 0.216 486 P C 1.671 178.913 177.300 -0.097 0.000 1.150 486 P CA 1.866 64.898 63.100 -0.112 0.000 0.837 486 P CB 0.168 31.802 31.700 -0.111 0.000 0.786 487 G N 0.006 108.743 108.800 -0.105 0.000 2.421 487 G HA2 -0.198 3.665 3.960 -0.160 0.000 0.217 487 G HA3 -0.198 3.665 3.960 -0.160 0.000 0.217 487 G C 1.151 176.026 174.900 -0.041 0.000 1.143 487 G CA 0.982 46.045 45.100 -0.061 0.000 0.784 487 G HN 0.397 nan 8.290 nan 0.000 0.541 488 N N -2.158 116.476 118.700 -0.109 0.000 2.118 488 N HA 0.198 4.841 4.740 -0.160 0.000 0.226 488 N C 1.363 176.784 175.510 -0.149 0.000 1.305 488 N CA 0.861 53.848 53.050 -0.105 0.000 0.890 488 N CB 0.005 38.423 38.487 -0.114 0.000 1.118 488 N HN 0.508 nan 8.380 nan 0.000 0.511 489 G N -0.166 108.532 108.800 -0.170 0.000 2.179 489 G HA2 -0.186 3.678 3.960 -0.160 0.000 0.260 489 G HA3 -0.186 3.678 3.960 -0.160 0.000 0.260 489 G C 0.361 175.145 174.900 -0.193 0.000 0.977 489 G CA 0.315 45.327 45.100 -0.147 0.000 0.641 489 G HN 0.869 nan 8.290 nan 0.000 0.533 490 A N 0.348 122.965 122.820 -0.337 0.000 2.407 490 A HA 0.682 4.905 4.320 -0.160 0.000 0.248 490 A C 1.056 178.465 177.584 -0.292 0.000 1.082 490 A CA 1.085 52.879 52.037 -0.404 0.000 0.785 490 A CB 0.476 18.893 19.000 -0.971 0.000 1.020 490 A HN 1.978 nan 8.150 nan 0.000 0.489 491 S N 1.777 117.379 115.700 -0.163 0.000 2.549 491 S HA 0.197 4.571 4.470 -0.160 0.000 0.283 491 S C 0.982 175.520 174.600 -0.102 0.000 1.320 491 S CA 0.107 58.249 58.200 -0.096 0.000 1.058 491 S CB -0.033 63.149 63.200 -0.029 0.000 0.882 491 S HN 0.998 nan 8.310 nan 0.000 0.498 492 I N 1.289 121.807 120.570 -0.087 0.000 3.059 492 I HA 0.347 4.421 4.170 -0.160 0.000 0.270 492 I C 1.410 177.530 176.117 0.005 0.000 1.238 492 I CA 0.219 61.479 61.300 -0.066 0.000 1.478 492 I CB -1.106 36.844 38.000 -0.083 0.000 1.097 492 I HN 0.913 nan 8.210 nan 0.000 0.455 493 G N 1.254 110.065 108.800 0.018 0.000 2.198 493 G HA2 0.004 3.868 3.960 -0.160 0.000 0.257 493 G HA3 0.004 3.868 3.960 -0.160 0.000 0.257 493 G C 0.233 175.173 174.900 0.067 0.000 1.042 493 G CA 0.094 45.224 45.100 0.050 0.000 0.791 493 G HN 1.098 nan 8.290 nan 0.000 0.502 494 G N -1.552 107.281 108.800 0.055 0.000 2.485 494 G HA2 0.648 4.512 3.960 -0.160 0.000 0.182 494 G HA3 0.648 4.512 3.960 -0.160 0.000 0.182 494 G C -1.509 173.425 174.900 0.056 0.000 1.172 494 G CA 0.169 45.317 45.100 0.081 0.000 0.996 494 G HN 1.593 nan 8.290 nan 0.000 0.496 495 L N 0.090 121.358 121.223 0.075 0.000 2.482 495 L HA 0.865 5.109 4.340 -0.160 0.000 0.263 495 L C -0.917 175.936 176.870 -0.029 0.000 0.957 495 L CA -0.611 54.243 54.840 0.024 0.000 0.836 495 L CB 2.262 44.358 42.059 0.062 0.000 1.324 495 L HN 0.730 nan 8.230 nan 0.000 0.406 496 K N 3.848 124.178 120.400 -0.115 0.000 2.397 496 K HA 0.807 5.031 4.320 -0.160 0.000 0.253 496 K C -1.993 174.442 176.600 -0.275 0.000 0.932 496 K CA -0.656 55.517 56.287 -0.191 0.000 0.795 496 K CB 1.986 34.404 32.500 -0.136 0.000 1.159 496 K HN 0.516 nan 8.250 nan 0.000 0.424 497 V N 5.693 125.319 119.914 -0.481 0.000 2.487 497 V HA 0.486 4.510 4.120 -0.160 0.000 0.298 497 V C -0.458 175.568 176.094 -0.112 0.000 1.028 497 V CA -0.711 61.380 62.300 -0.349 0.000 0.860 497 V CB 1.610 33.125 31.823 -0.513 0.000 0.991 497 V HN 0.845 nan 8.190 nan 0.000 0.427 498 M N 3.949 123.551 119.600 0.004 0.000 2.602 498 M HA 0.736 5.120 4.480 -0.160 0.000 0.312 498 M C -0.112 176.257 176.300 0.115 0.000 1.181 498 M CA -0.444 54.926 55.300 0.115 0.000 0.910 498 M CB 2.597 35.234 32.600 0.063 0.000 1.723 498 M HN 0.771 nan 8.290 nan 0.000 0.459 499 T N -4.050 110.604 114.554 0.166 0.000 2.831 499 T HA 0.367 4.621 4.350 -0.160 0.000 0.287 499 T C 0.204 174.982 174.700 0.131 0.000 1.070 499 T CA -0.779 61.403 62.100 0.136 0.000 1.010 499 T CB 1.284 70.247 68.868 0.159 0.000 1.264 499 T HN 0.567 nan 8.240 nan 0.000 0.532 500 D N 0.562 121.018 120.400 0.093 0.000 2.182 500 D HA -0.069 4.475 4.640 -0.160 0.000 0.201 500 D C 1.265 177.616 176.300 0.085 0.000 0.986 500 D CA 1.211 55.247 54.000 0.061 0.000 0.847 500 D CB -0.063 40.757 40.800 0.034 0.000 0.942 500 D HN 0.485 nan 8.370 nan 0.000 0.467 501 N N -0.605 118.186 118.700 0.152 0.000 2.220 501 N HA 0.207 4.850 4.740 -0.160 0.000 0.195 501 N C 0.817 176.552 175.510 0.375 0.000 1.123 501 N CA 0.320 53.496 53.050 0.209 0.000 0.874 501 N CB 2.002 40.552 38.487 0.105 0.000 0.995 501 N HN 0.132 nan 8.380 nan 0.000 0.498 502 G N -0.279 108.745 108.800 0.374 0.000 2.430 502 G HA2 0.466 4.330 3.960 -0.160 0.000 0.300 502 G HA3 0.466 4.330 3.960 -0.160 0.000 0.300 502 G C -2.159 172.973 174.900 0.388 0.000 1.330 502 G CA -0.824 44.497 45.100 0.368 0.000 0.813 502 G HN 0.084 nan 8.290 nan 0.000 0.487 503 W N -1.173 120.237 121.300 0.183 0.000 3.066 503 W HA 0.726 5.233 4.660 -0.255 0.000 0.330 503 W C -2.182 174.448 176.519 0.184 0.000 1.253 503 W CA -1.720 55.696 57.345 0.118 0.000 1.187 503 W CB 0.843 30.343 29.460 0.068 0.000 1.434 503 W HN 0.985 nan 8.180 nan 0.000 0.572 504 F N 0.594 120.730 119.950 0.309 0.000 2.613 504 F HA 0.922 5.349 4.527 -0.167 0.000 0.314 504 F C -1.254 174.834 175.800 0.480 0.000 1.075 504 F CA -1.377 56.742 58.000 0.198 0.000 0.945 504 F CB 1.414 40.430 39.000 0.028 0.000 1.310 504 F HN 0.696 nan 8.300 nan 0.000 0.467 505 A N 1.633 124.844 122.820 0.652 0.000 2.449 505 A HA 0.960 5.184 4.320 -0.160 0.000 0.302 505 A C -1.522 176.419 177.584 0.594 0.000 1.048 505 A CA -0.420 51.893 52.037 0.460 0.000 0.708 505 A CB 1.279 20.511 19.000 0.386 0.000 1.274 505 A HN 1.853 nan 8.150 nan 0.000 0.410 506 A N 2.029 125.127 122.820 0.464 0.000 2.371 506 A HA 0.923 5.147 4.320 -0.160 0.000 0.311 506 A C -0.304 177.477 177.584 0.328 0.000 1.068 506 A CA -0.708 51.590 52.037 0.434 0.000 0.744 506 A CB 1.069 20.337 19.000 0.447 0.000 1.239 506 A HN 1.328 nan 8.150 nan 0.000 0.435 507 R N 1.301 121.998 120.500 0.329 0.000 2.629 507 R HA 0.630 4.874 4.340 -0.160 0.000 0.266 507 R C -3.395 173.048 176.300 0.238 0.000 1.051 507 R CA -1.845 54.407 56.100 0.253 0.000 0.895 507 R CB 1.126 31.573 30.300 0.244 0.000 1.246 507 R HN 0.360 nan 8.270 nan 0.000 0.459 508 P HA -0.002 nan 4.420 nan 0.000 0.272 508 P C -0.287 177.099 177.300 0.144 0.000 1.223 508 P CA -0.263 62.938 63.100 0.169 0.000 0.784 508 P CB 0.938 32.712 31.700 0.123 0.000 0.923 509 S N 1.008 116.780 115.700 0.120 0.000 2.564 509 S HA 0.259 4.633 4.470 -0.160 0.000 0.278 509 S C 1.831 176.478 174.600 0.078 0.000 1.333 509 S CA 0.148 58.400 58.200 0.086 0.000 1.048 509 S CB -0.182 63.050 63.200 0.054 0.000 0.900 509 S HN 0.574 nan 8.310 nan 0.000 0.505 510 G N 2.338 111.181 108.800 0.071 0.000 2.403 510 G HA2 -0.119 3.745 3.960 -0.160 0.000 0.216 510 G HA3 -0.119 3.745 3.960 -0.160 0.000 0.216 510 G C 1.403 176.327 174.900 0.039 0.000 1.154 510 G CA 1.242 46.376 45.100 0.056 0.000 0.784 510 G HN 0.847 nan 8.290 nan 0.000 0.538 511 T N -2.215 112.357 114.554 0.031 0.000 2.988 511 T HA 0.418 4.672 4.350 -0.160 0.000 0.240 511 T C 1.195 175.908 174.700 0.021 0.000 1.014 511 T CA 1.179 63.290 62.100 0.017 0.000 1.155 511 T CB -0.227 68.643 68.868 0.003 0.000 0.872 511 T HN 0.497 nan 8.240 nan 0.000 0.440 512 E N 1.161 121.375 120.200 0.024 0.000 2.267 512 E HA 0.358 4.612 4.350 -0.160 0.000 0.258 512 E C -0.502 176.121 176.600 0.038 0.000 1.074 512 E CA -0.662 55.752 56.400 0.024 0.000 0.915 512 E CB 0.012 29.720 29.700 0.014 0.000 1.186 512 E HN 0.421 nan 8.360 nan 0.000 0.439 513 D N 0.322 120.745 120.400 0.039 0.000 2.688 513 D HA 0.460 5.004 4.640 -0.160 0.000 0.228 513 D C -0.759 175.587 176.300 0.076 0.000 1.116 513 D CA 0.654 54.686 54.000 0.052 0.000 1.023 513 D CB -0.519 40.306 40.800 0.042 0.000 1.100 513 D HN 0.685 nan 8.370 nan 0.000 0.487 514 A N 1.940 124.817 122.820 0.095 0.000 2.594 514 A HA 0.633 4.857 4.320 -0.160 0.000 0.291 514 A C -1.556 176.144 177.584 0.192 0.000 1.105 514 A CA -0.908 51.200 52.037 0.119 0.000 0.694 514 A CB 1.235 20.245 19.000 0.016 0.000 1.291 514 A HN 0.321 nan 8.150 nan 0.000 0.410 515 Y N -2.089 118.216 120.300 0.009 0.000 2.536 515 Y HA 0.891 5.346 4.550 -0.159 0.000 0.347 515 Y C -0.232 175.666 175.900 -0.004 0.000 1.000 515 Y CA -0.664 57.450 58.100 0.022 0.000 1.051 515 Y CB 1.153 39.632 38.460 0.030 0.000 1.259 515 Y HN 0.902 nan 8.280 nan 0.000 0.468 516 K N 2.901 123.260 120.400 -0.067 0.000 2.259 516 K HA 0.809 5.032 4.320 -0.160 0.000 0.252 516 K C -1.644 174.890 176.600 -0.110 0.000 0.936 516 K CA -0.758 55.389 56.287 -0.233 0.000 0.810 516 K CB 1.584 33.947 32.500 -0.227 0.000 1.143 516 K HN 0.823 nan 8.250 nan 0.000 0.427 517 I N 2.361 122.787 120.570 -0.240 0.000 2.436 517 I HA 0.420 4.494 4.170 -0.160 0.000 0.289 517 I C -1.102 174.889 176.117 -0.209 0.000 1.010 517 I CA -1.157 60.115 61.300 -0.045 0.000 1.098 517 I CB 1.655 39.639 38.000 -0.027 0.000 1.266 517 I HN 0.697 nan 8.210 nan 0.000 0.434 518 Y N 5.174 125.502 120.300 0.048 0.000 2.341 518 Y HA 0.566 5.011 4.550 -0.175 0.000 0.337 518 Y C 0.276 175.966 175.900 -0.350 0.000 1.014 518 Y CA -0.756 57.269 58.100 -0.124 0.000 1.111 518 Y CB 1.569 40.123 38.460 0.157 0.000 1.194 518 Y HN 0.633 nan 8.280 nan 0.000 0.462 519 C N 1.149 120.105 119.300 -0.573 0.000 2.888 519 C HA 0.866 5.230 4.460 -0.160 0.000 0.308 519 C C -0.968 173.465 174.990 -0.927 0.000 1.213 519 C CA -0.836 57.739 59.018 -0.738 0.000 1.461 519 C CB 1.516 29.041 27.740 -0.357 0.000 1.934 519 C HN 0.975 nan 8.230 nan 0.000 0.474 520 E N 1.044 120.636 120.200 -1.014 0.000 2.321 520 E HA 0.617 4.871 4.350 -0.160 0.000 0.278 520 E C -1.495 174.924 176.600 -0.301 0.000 0.902 520 E CA 0.079 56.124 56.400 -0.592 0.000 0.758 520 E CB 2.251 31.697 29.700 -0.422 0.000 1.213 520 E HN 0.960 nan 8.360 nan 0.000 0.426 521 S N 3.339 118.986 115.700 -0.088 0.000 2.521 521 S HA 0.417 4.791 4.470 -0.160 0.000 0.295 521 S C -0.374 174.270 174.600 0.072 0.000 1.098 521 S CA -0.541 57.737 58.200 0.129 0.000 0.999 521 S CB 0.636 64.001 63.200 0.274 0.000 1.034 521 S HN 0.537 nan 8.310 nan 0.000 0.483 522 F N 2.885 122.930 119.950 0.158 0.000 2.780 522 F HA 0.326 4.758 4.527 -0.157 0.000 0.299 522 F C 1.458 177.300 175.800 0.070 0.000 1.146 522 F CA 0.397 58.472 58.000 0.124 0.000 1.428 522 F CB 0.173 39.247 39.000 0.122 0.000 1.115 522 F HN 0.508 nan 8.300 nan 0.000 0.583 523 L N -0.958 120.363 121.223 0.163 0.000 2.567 523 L HA 0.387 4.631 4.340 -0.160 0.000 0.225 523 L C 1.002 177.915 176.870 0.072 0.000 1.119 523 L CA 0.331 55.189 54.840 0.030 0.000 0.871 523 L CB -0.719 41.177 42.059 -0.271 0.000 1.036 523 L HN 0.199 nan 8.230 nan 0.000 0.459 524 G N -0.576 108.286 108.800 0.105 0.000 2.408 524 G HA2 -0.037 3.826 3.960 -0.160 0.000 0.682 524 G HA3 -0.037 3.826 3.960 -0.160 0.000 0.682 524 G C 0.284 175.236 174.900 0.087 0.000 1.303 524 G CA -0.101 45.049 45.100 0.083 0.000 0.966 524 G HN -0.014 nan 8.290 nan 0.000 0.560 525 E N -0.474 119.760 120.200 0.057 0.000 2.051 525 E HA -0.118 4.136 4.350 -0.160 0.000 0.192 525 E C 2.151 178.769 176.600 0.031 0.000 0.991 525 E CA 2.331 58.751 56.400 0.033 0.000 0.799 525 E CB -0.586 29.129 29.700 0.025 0.000 0.748 525 E HN 0.986 nan 8.360 nan 0.000 0.449 526 E N -0.702 119.527 120.200 0.048 0.000 2.058 526 E HA -0.295 3.958 4.350 -0.160 0.000 0.194 526 E C 2.205 178.842 176.600 0.061 0.000 0.997 526 E CA 1.364 57.791 56.400 0.045 0.000 0.801 526 E CB -0.334 29.398 29.700 0.053 0.000 0.746 526 E HN 0.782 nan 8.360 nan 0.000 0.450 527 H N 0.585 119.658 119.070 0.004 0.000 2.353 527 H HA -0.094 4.364 4.556 -0.164 0.000 0.300 527 H C 2.387 177.709 175.328 -0.010 0.000 1.090 527 H CA 1.658 57.711 56.048 0.008 0.000 1.327 527 H CB 0.048 29.827 29.762 0.029 0.000 1.383 527 H HN 0.106 nan 8.280 nan 0.000 0.508 528 R N 1.120 121.606 120.500 -0.022 0.000 2.091 528 R HA -0.130 4.114 4.340 -0.160 0.000 0.238 528 R C 2.257 178.468 176.300 -0.148 0.000 1.136 528 R CA 1.630 57.663 56.100 -0.111 0.000 0.959 528 R CB 0.005 30.262 30.300 -0.072 0.000 0.856 528 R HN 0.313 nan 8.270 nan 0.000 0.437 529 K N -0.144 120.195 120.400 -0.102 0.000 2.147 529 K HA -0.200 4.024 4.320 -0.160 0.000 0.205 529 K C 2.147 178.675 176.600 -0.120 0.000 1.049 529 K CA 1.402 57.629 56.287 -0.100 0.000 0.936 529 K CB -0.053 32.410 32.500 -0.063 0.000 0.722 529 K HN 0.080 nan 8.250 nan 0.000 0.446 530 Q N 1.311 121.028 119.800 -0.140 0.000 2.079 530 Q HA -0.064 4.180 4.340 -0.160 0.000 0.200 530 Q C 1.749 177.637 176.000 -0.186 0.000 0.974 530 Q CA 1.377 57.089 55.803 -0.151 0.000 0.840 530 Q CB -0.088 28.561 28.738 -0.149 0.000 0.898 530 Q HN 0.287 nan 8.270 nan 0.000 0.430 531 I N 0.340 120.757 120.570 -0.254 0.000 2.163 531 I HA -0.319 3.755 4.170 -0.160 0.000 0.243 531 I C 2.117 178.111 176.117 -0.204 0.000 1.085 531 I CA 1.620 62.801 61.300 -0.198 0.000 1.347 531 I CB -0.401 37.486 38.000 -0.189 0.000 1.044 531 I HN 0.342 nan 8.210 nan 0.000 0.408 532 E N 0.835 120.914 120.200 -0.201 0.000 2.049 532 E HA -0.315 3.939 4.350 -0.160 0.000 0.198 532 E C 2.198 178.679 176.600 -0.199 0.000 1.007 532 E CA 1.583 57.860 56.400 -0.206 0.000 0.809 532 E CB -0.189 29.412 29.700 -0.166 0.000 0.749 532 E HN 0.375 nan 8.360 nan 0.000 0.450 533 K N 0.988 121.296 120.400 -0.153 0.000 2.032 533 K HA -0.224 3.999 4.320 -0.160 0.000 0.209 533 K C 1.927 178.444 176.600 -0.140 0.000 1.048 533 K CA 1.661 57.875 56.287 -0.122 0.000 0.927 533 K CB 0.040 32.486 32.500 -0.089 0.000 0.712 533 K HN 0.113 nan 8.250 nan 0.000 0.441 534 E N -0.208 119.900 120.200 -0.154 0.000 2.152 534 E HA -0.134 4.120 4.350 -0.160 0.000 0.192 534 E C 1.968 178.412 176.600 -0.261 0.000 0.983 534 E CA 0.724 57.039 56.400 -0.141 0.000 0.818 534 E CB -0.030 29.623 29.700 -0.078 0.000 0.758 534 E HN 0.416 nan 8.360 nan 0.000 0.467 535 A N 1.209 123.734 122.820 -0.492 0.000 1.877 535 A HA -0.150 4.074 4.320 -0.160 0.000 0.216 535 A C 2.525 179.790 177.584 -0.530 0.000 1.186 535 A CA 1.200 52.613 52.037 -1.040 0.000 0.620 535 A CB -0.750 17.459 19.000 -1.318 0.000 0.822 535 A HN 0.111 nan 8.150 nan 0.000 0.443 536 V N 0.131 119.873 119.914 -0.288 0.000 2.407 536 V HA -0.226 3.798 4.120 -0.160 0.000 0.248 536 V C 3.096 179.131 176.094 -0.099 0.000 1.055 536 V CA 2.695 64.926 62.300 -0.116 0.000 1.049 536 V CB -1.324 30.461 31.823 -0.063 0.000 0.662 536 V HN 0.809 nan 8.190 nan 0.000 0.455 537 E N -0.115 120.018 120.200 -0.112 0.000 2.072 537 E HA -0.183 4.071 4.350 -0.160 0.000 0.190 537 E C 1.997 178.565 176.600 -0.053 0.000 0.982 537 E CA 1.555 57.913 56.400 -0.070 0.000 0.803 537 E CB -0.532 29.134 29.700 -0.057 0.000 0.755 537 E HN 0.628 nan 8.360 nan 0.000 0.453 538 I N 0.342 120.875 120.570 -0.061 0.000 2.127 538 I HA -0.247 3.827 4.170 -0.160 0.000 0.241 538 I C 2.647 178.777 176.117 0.020 0.000 1.075 538 I CA 1.230 62.539 61.300 0.014 0.000 1.334 538 I CB -0.211 37.856 38.000 0.112 0.000 1.040 538 I HN 0.215 nan 8.210 nan 0.000 0.405 539 V N 0.224 120.128 119.914 -0.017 0.000 2.252 539 V HA -0.338 3.685 4.120 -0.160 0.000 0.249 539 V C 2.552 178.600 176.094 -0.077 0.000 1.056 539 V CA 2.388 64.674 62.300 -0.024 0.000 1.022 539 V CB -0.621 31.177 31.823 -0.042 0.000 0.641 539 V HN 0.397 nan 8.190 nan 0.000 0.445 540 S N -0.649 114.999 115.700 -0.087 0.000 2.370 540 S HA -0.278 4.096 4.470 -0.160 0.000 0.226 540 S C 1.992 176.562 174.600 -0.051 0.000 1.033 540 S CA 1.918 60.068 58.200 -0.082 0.000 1.011 540 S CB -0.326 62.837 63.200 -0.061 0.000 0.852 540 S HN 0.761 nan 8.310 nan 0.000 0.457 541 E N 1.488 121.670 120.200 -0.030 0.000 2.051 541 E HA -0.135 4.119 4.350 -0.160 0.000 0.192 541 E C 1.989 178.585 176.600 -0.007 0.000 0.991 541 E CA 1.712 58.104 56.400 -0.013 0.000 0.799 541 E CB -0.363 29.337 29.700 0.000 0.000 0.748 541 E HN 0.405 nan 8.360 nan 0.000 0.449 542 V N -1.077 118.838 119.914 0.001 0.000 2.970 542 V HA 0.021 4.045 4.120 -0.160 0.000 0.260 542 V C 1.109 177.196 176.094 -0.010 0.000 1.100 542 V CA 0.801 63.106 62.300 0.007 0.000 1.122 542 V CB -0.336 31.505 31.823 0.031 0.000 0.721 542 V HN 0.118 nan 8.190 nan 0.000 0.483 543 L N 1.753 122.956 121.223 -0.033 0.000 2.923 543 L HA 0.592 4.836 4.340 -0.160 0.000 0.231 543 L C 0.906 177.749 176.870 -0.045 0.000 1.300 543 L CA 0.125 54.935 54.840 -0.049 0.000 1.184 543 L CB -0.773 41.229 42.059 -0.095 0.000 1.511 543 L HN 0.588 nan 8.230 nan 0.000 0.448 544 K N 0.000 120.383 120.400 -0.028 0.000 2.780 544 K HA 0.000 4.224 4.320 -0.160 0.000 0.191 544 K CA 0.000 56.274 56.287 -0.022 0.000 0.838 544 K CB 0.000 32.491 32.500 -0.016 0.000 1.064 544 K HN 0.000 nan 8.250 nan 0.000 0.543