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 1kkp_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAEGYPGRRY YGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA ASAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.203 176.300 -0.161 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.653 32.600 0.088 0.000 1.302 2 K N 0.603 120.862 120.400 -0.236 0.000 2.412 2 K HA 0.216 4.555 4.320 0.030 0.000 0.201 2 K C 0.623 176.876 176.600 -0.578 0.000 1.275 2 K CA 0.541 56.545 56.287 -0.471 0.000 0.910 2 K CB 0.454 32.558 32.500 -0.660 0.000 1.346 2 K HN 0.665 nan 8.250 nan 0.000 0.490 3 Y N 0.936 121.170 120.300 -0.111 0.000 2.397 3 Y HA 0.000 4.555 4.550 0.007 0.000 0.292 3 Y C 1.970 177.797 175.900 -0.122 0.000 1.115 3 Y CA 0.257 58.295 58.100 -0.102 0.000 1.208 3 Y CB -0.102 38.318 38.460 -0.067 0.000 1.046 3 Y HN 0.060 nan 8.280 nan 0.000 0.552 4 L N 1.363 122.578 121.223 -0.015 0.000 2.017 4 L HA -0.064 4.294 4.340 0.030 0.000 0.208 4 L C -0.849 175.904 176.870 -0.195 0.000 1.073 4 L CA 1.914 56.728 54.840 -0.042 0.000 0.745 4 L CB -1.640 40.450 42.059 0.052 0.000 0.894 4 L HN -0.008 nan 8.230 nan 0.000 0.432 5 P HA -0.204 nan 4.420 nan 0.000 0.216 5 P C 1.422 178.549 177.300 -0.289 0.000 1.153 5 P CA 1.317 63.963 63.100 -0.757 0.000 0.858 5 P CB 0.038 31.089 31.700 -1.081 0.000 0.789 6 Q N -0.412 119.263 119.800 -0.208 0.000 2.163 6 Q HA -0.144 4.214 4.340 0.030 0.000 0.198 6 Q C 2.235 178.209 176.000 -0.042 0.000 0.954 6 Q CA 1.569 57.311 55.803 -0.102 0.000 0.851 6 Q CB -0.905 27.783 28.738 -0.083 0.000 0.928 6 Q HN 0.074 nan 8.270 nan 0.000 0.459 7 Q N 0.128 119.915 119.800 -0.022 0.000 2.083 7 Q HA -0.027 4.331 4.340 0.030 0.000 0.198 7 Q C -0.384 175.622 176.000 0.010 0.000 0.969 7 Q CA 1.467 57.273 55.803 0.005 0.000 0.838 7 Q CB 0.301 29.051 28.738 0.021 0.000 0.900 7 Q HN 0.150 nan 8.270 nan 0.000 0.436 8 D N -1.128 119.283 120.400 0.018 0.000 2.429 8 D HA 0.217 4.875 4.640 0.030 0.000 0.255 8 D C -2.243 174.108 176.300 0.085 0.000 1.257 8 D CA -1.804 52.223 54.000 0.045 0.000 0.890 8 D CB 1.403 42.235 40.800 0.054 0.000 1.267 8 D HN -0.029 nan 8.370 nan 0.000 0.521 9 P HA -0.156 nan 4.420 nan 0.000 0.216 9 P C 1.398 178.778 177.300 0.132 0.000 1.153 9 P CA 1.280 64.451 63.100 0.118 0.000 0.858 9 P CB 0.545 32.286 31.700 0.069 0.000 0.789 10 Q N -0.809 119.040 119.800 0.081 0.000 2.050 10 Q HA -0.105 4.253 4.340 0.030 0.000 0.202 10 Q C 2.152 178.189 176.000 0.062 0.000 0.980 10 Q CA 1.353 57.191 55.803 0.058 0.000 0.840 10 Q CB -0.846 27.914 28.738 0.037 0.000 0.898 10 Q HN 0.101 nan 8.270 nan 0.000 0.424 11 V N 0.548 120.508 119.914 0.076 0.000 2.358 11 V HA -0.232 3.906 4.120 0.030 0.000 0.246 11 V C 1.927 178.084 176.094 0.104 0.000 1.047 11 V CA 1.637 63.980 62.300 0.072 0.000 1.035 11 V CB -0.567 31.299 31.823 0.070 0.000 0.658 11 V HN 0.309 nan 8.190 nan 0.000 0.452 12 F N 1.579 121.529 119.950 0.000 0.000 2.134 12 F HA -0.132 4.402 4.527 0.012 0.000 0.299 12 F C 2.266 178.064 175.800 -0.003 0.000 1.097 12 F CA 1.304 59.303 58.000 -0.002 0.000 1.264 12 F CB -0.614 38.383 39.000 -0.004 0.000 1.001 12 F HN 0.079 nan 8.300 nan 0.000 0.479 13 A N 0.365 123.163 122.820 -0.037 0.000 1.902 13 A HA -0.067 4.272 4.320 0.030 0.000 0.217 13 A C 2.435 179.920 177.584 -0.165 0.000 1.181 13 A CA 1.889 53.841 52.037 -0.142 0.000 0.623 13 A CB -1.563 17.428 19.000 -0.014 0.000 0.818 13 A HN 0.495 nan 8.150 nan 0.000 0.443 14 A N -0.110 122.654 122.820 -0.092 0.000 1.898 14 A HA -0.057 4.281 4.320 0.030 0.000 0.216 14 A C 2.126 179.649 177.584 -0.101 0.000 1.181 14 A CA 1.452 53.445 52.037 -0.073 0.000 0.620 14 A CB -0.585 18.396 19.000 -0.031 0.000 0.819 14 A HN 0.494 nan 8.150 nan 0.000 0.442 15 I N -0.360 120.133 120.570 -0.127 0.000 2.179 15 I HA -0.229 3.959 4.170 0.030 0.000 0.242 15 I C 2.470 178.468 176.117 -0.197 0.000 1.088 15 I CA 1.319 62.541 61.300 -0.130 0.000 1.357 15 I CB -0.373 37.573 38.000 -0.090 0.000 1.051 15 I HN 0.315 nan 8.210 nan 0.000 0.409 16 E N 0.623 120.602 120.200 -0.368 0.000 2.110 16 E HA -0.245 4.123 4.350 0.030 0.000 0.193 16 E C 2.151 178.636 176.600 -0.191 0.000 0.988 16 E CA 1.217 57.402 56.400 -0.358 0.000 0.804 16 E CB -0.251 29.097 29.700 -0.587 0.000 0.745 16 E HN 0.602 nan 8.360 nan 0.000 0.458 17 Q N 0.291 119.999 119.800 -0.153 0.000 2.050 17 Q HA -0.208 4.150 4.340 0.030 0.000 0.202 17 Q C 2.160 178.127 176.000 -0.055 0.000 0.980 17 Q CA 1.616 57.368 55.803 -0.084 0.000 0.840 17 Q CB -0.121 28.580 28.738 -0.063 0.000 0.898 17 Q HN 0.104 nan 8.270 nan 0.000 0.424 18 E N 1.131 121.298 120.200 -0.055 0.000 2.077 18 E HA -0.210 4.158 4.350 0.030 0.000 0.193 18 E C 1.831 178.422 176.600 -0.014 0.000 0.989 18 E CA 1.383 57.769 56.400 -0.023 0.000 0.800 18 E CB -0.070 29.619 29.700 -0.019 0.000 0.746 18 E HN 0.173 nan 8.360 nan 0.000 0.452 19 R N 0.183 120.658 120.500 -0.041 0.000 2.083 19 R HA -0.131 4.227 4.340 0.030 0.000 0.237 19 R C 2.152 178.440 176.300 -0.020 0.000 1.137 19 R CA 1.947 58.026 56.100 -0.034 0.000 0.951 19 R CB -0.068 30.193 30.300 -0.065 0.000 0.851 19 R HN 0.077 nan 8.270 nan 0.000 0.434 20 K N -0.295 120.088 120.400 -0.029 0.000 2.148 20 K HA -0.136 4.202 4.320 0.030 0.000 0.204 20 K C 2.246 178.874 176.600 0.046 0.000 1.050 20 K CA 1.150 57.439 56.287 0.004 0.000 0.942 20 K CB -0.147 32.340 32.500 -0.022 0.000 0.724 20 K HN 0.139 nan 8.250 nan 0.000 0.446 21 R N 1.557 122.071 120.500 0.024 0.000 2.073 21 R HA -0.172 4.186 4.340 0.030 0.000 0.234 21 R C 2.068 178.395 176.300 0.045 0.000 1.134 21 R CA 1.673 57.793 56.100 0.032 0.000 0.952 21 R CB -0.052 30.262 30.300 0.023 0.000 0.850 21 R HN 0.271 nan 8.270 nan 0.000 0.433 22 Q N -1.149 118.682 119.800 0.053 0.000 2.181 22 Q HA -0.251 4.107 4.340 0.030 0.000 0.205 22 Q C 1.942 177.927 176.000 -0.025 0.000 0.980 22 Q CA 2.014 57.858 55.803 0.068 0.000 0.862 22 Q CB -0.226 28.564 28.738 0.088 0.000 0.905 22 Q HN 0.555 nan 8.270 nan 0.000 0.429 23 H N -0.234 118.771 119.070 -0.108 0.000 2.403 23 H HA 0.082 4.656 4.556 0.030 0.000 0.298 23 H C 1.792 177.091 175.328 -0.048 0.000 1.059 23 H CA 1.429 57.404 56.048 -0.122 0.000 1.363 23 H CB 0.055 29.757 29.762 -0.100 0.000 1.410 23 H HN 0.210 nan 8.280 nan 0.000 0.528 24 A N 0.870 123.667 122.820 -0.040 0.000 2.016 24 A HA 0.058 4.396 4.320 0.030 0.000 0.217 24 A C 0.942 178.496 177.584 -0.050 0.000 1.162 24 A CA 0.447 52.455 52.037 -0.047 0.000 0.662 24 A CB 0.018 19.046 19.000 0.046 0.000 0.812 24 A HN 0.160 nan 8.150 nan 0.000 0.450 25 K N -0.367 120.019 120.400 -0.023 0.000 2.090 25 K HA 0.532 4.870 4.320 0.030 0.000 0.249 25 K C -0.713 175.892 176.600 0.008 0.000 0.995 25 K CA -0.469 55.822 56.287 0.007 0.000 0.914 25 K CB 0.978 33.496 32.500 0.031 0.000 1.057 25 K HN 0.201 nan 8.250 nan 0.000 0.462 26 I N 2.041 122.632 120.570 0.034 0.000 2.291 26 I HA 0.037 4.225 4.170 0.030 0.000 0.290 26 I C 0.260 176.398 176.117 0.035 0.000 1.050 26 I CA -0.621 60.706 61.300 0.044 0.000 1.245 26 I CB 0.779 38.840 38.000 0.102 0.000 1.405 26 I HN 0.434 nan 8.210 nan 0.000 0.478 27 E N 7.398 127.620 120.200 0.036 0.000 2.105 27 E HA 0.230 4.598 4.350 0.030 0.000 0.285 27 E C -0.211 176.387 176.600 -0.002 0.000 1.055 27 E CA 0.129 56.550 56.400 0.035 0.000 0.843 27 E CB 0.595 30.343 29.700 0.080 0.000 1.067 27 E HN 0.576 nan 8.360 nan 0.000 0.398 28 L N 5.193 126.417 121.223 0.001 0.000 2.959 28 L HA 0.358 4.717 4.340 0.030 0.000 0.259 28 L C 0.198 177.068 176.870 -0.001 0.000 1.185 28 L CA -0.393 54.446 54.840 -0.002 0.000 0.998 28 L CB 0.142 42.201 42.059 -0.001 0.000 1.337 28 L HN 0.549 nan 8.230 nan 0.000 0.555 29 I N 1.008 121.576 120.570 -0.002 0.000 2.587 29 I HA -0.037 4.151 4.170 0.030 0.000 0.284 29 I C 1.624 177.765 176.117 0.040 0.000 1.134 29 I CA 0.032 61.341 61.300 0.015 0.000 1.410 29 I CB 1.577 39.584 38.000 0.012 0.000 1.392 29 I HN 0.184 nan 8.210 nan 0.000 0.545 30 A N 4.546 127.416 122.820 0.084 0.000 2.019 30 A HA -0.153 4.186 4.320 0.030 0.000 0.219 30 A C 2.096 179.835 177.584 0.258 0.000 1.164 30 A CA 1.862 54.002 52.037 0.172 0.000 0.644 30 A CB -0.424 18.654 19.000 0.131 0.000 0.805 30 A HN 0.803 nan 8.150 nan 0.000 0.449 31 S N -0.621 115.189 115.700 0.183 0.000 2.575 31 S HA 0.166 4.654 4.470 0.030 0.000 0.215 31 S C 0.370 174.952 174.600 -0.031 0.000 0.966 31 S CA -0.345 57.851 58.200 -0.008 0.000 0.911 31 S CB -0.007 63.196 63.200 0.004 0.000 0.780 31 S HN 0.620 nan 8.310 nan 0.000 0.514 32 E N 1.190 121.370 120.200 -0.034 0.000 2.254 32 E HA 0.534 4.903 4.350 0.030 0.000 0.261 32 E C -0.570 175.910 176.600 -0.200 0.000 1.051 32 E CA -0.796 55.537 56.400 -0.112 0.000 0.902 32 E CB 0.688 30.295 29.700 -0.154 0.000 1.168 32 E HN 0.161 nan 8.360 nan 0.000 0.423 33 N N -0.266 118.232 118.700 -0.337 0.000 3.261 33 N HA 0.304 5.063 4.740 0.030 0.000 0.248 33 N C -1.989 173.148 175.510 -0.621 0.000 1.498 33 N CA -0.529 52.265 53.050 -0.426 0.000 0.884 33 N CB 0.934 39.355 38.487 -0.111 0.000 1.428 33 N HN 0.211 nan 8.380 nan 0.000 0.517 34 F N 1.135 121.092 119.950 0.013 0.000 2.460 34 F HA 0.369 4.910 4.527 0.023 0.000 0.341 34 F C 0.702 176.495 175.800 -0.012 0.000 1.130 34 F CA -0.856 57.142 58.000 -0.005 0.000 0.962 34 F CB 1.143 40.132 39.000 -0.019 0.000 1.171 34 F HN 0.158 nan 8.300 nan 0.000 0.436 35 V N 0.501 120.505 119.914 0.149 0.000 3.003 35 V HA 0.601 4.740 4.120 0.030 0.000 0.305 35 V C 0.473 176.608 176.094 0.069 0.000 1.078 35 V CA -0.852 61.495 62.300 0.078 0.000 1.083 35 V CB 0.995 32.845 31.823 0.046 0.000 1.039 35 V HN 0.831 nan 8.190 nan 0.000 0.481 36 S N 3.010 118.730 115.700 0.034 0.000 2.608 36 S HA 0.296 4.784 4.470 0.030 0.000 0.261 36 S C 0.935 175.544 174.600 0.016 0.000 1.314 36 S CA -0.047 58.165 58.200 0.020 0.000 0.992 36 S CB 0.569 63.773 63.200 0.007 0.000 0.935 36 S HN 0.766 nan 8.310 nan 0.000 0.564 37 R N 0.699 121.205 120.500 0.010 0.000 2.092 37 R HA -0.049 4.310 4.340 0.030 0.000 0.231 37 R C 2.612 178.913 176.300 0.003 0.000 1.119 37 R CA 1.289 57.394 56.100 0.008 0.000 0.970 37 R CB -0.966 29.337 30.300 0.004 0.000 0.864 37 R HN 0.828 nan 8.270 nan 0.000 0.440 38 A N 0.605 123.424 122.820 -0.001 0.000 1.902 38 A HA -0.122 4.216 4.320 0.030 0.000 0.217 38 A C 2.313 179.888 177.584 -0.015 0.000 1.181 38 A CA 1.368 53.400 52.037 -0.008 0.000 0.623 38 A CB -0.504 18.490 19.000 -0.011 0.000 0.818 38 A HN 0.120 nan 8.150 nan 0.000 0.443 39 V N -0.114 119.789 119.914 -0.018 0.000 2.343 39 V HA -0.314 3.824 4.120 0.030 0.000 0.247 39 V C 2.646 178.729 176.094 -0.019 0.000 1.051 39 V CA 2.249 64.530 62.300 -0.031 0.000 1.036 39 V CB -0.656 31.147 31.823 -0.032 0.000 0.654 39 V HN 0.580 nan 8.190 nan 0.000 0.451 40 M N -0.764 118.835 119.600 -0.002 0.000 2.117 40 M HA -0.212 4.287 4.480 0.030 0.000 0.262 40 M C 2.199 178.506 176.300 0.011 0.000 1.065 40 M CA 1.847 57.152 55.300 0.008 0.000 1.114 40 M CB -0.510 32.101 32.600 0.018 0.000 1.361 40 M HN 0.374 nan 8.290 nan 0.000 0.408 41 E N 0.348 120.552 120.200 0.007 0.000 2.110 41 E HA -0.164 4.204 4.350 0.030 0.000 0.193 41 E C 2.072 178.676 176.600 0.006 0.000 0.988 41 E CA 1.229 57.634 56.400 0.008 0.000 0.804 41 E CB -0.128 29.574 29.700 0.003 0.000 0.745 41 E HN 0.509 nan 8.360 nan 0.000 0.458 42 A N 1.363 124.182 122.820 -0.003 0.000 1.933 42 A HA -0.230 4.109 4.320 0.030 0.000 0.218 42 A C 2.001 179.599 177.584 0.023 0.000 1.175 42 A CA 1.295 53.330 52.037 -0.004 0.000 0.628 42 A CB -0.355 18.626 19.000 -0.030 0.000 0.814 42 A HN 0.218 nan 8.150 nan 0.000 0.444 43 Q N -0.781 119.035 119.800 0.026 0.000 2.378 43 Q HA 0.019 4.377 4.340 0.030 0.000 0.205 43 Q C 1.513 177.584 176.000 0.119 0.000 0.954 43 Q CA 0.760 56.612 55.803 0.082 0.000 0.901 43 Q CB -0.212 28.550 28.738 0.040 0.000 0.981 43 Q HN 0.583 nan 8.270 nan 0.000 0.483 44 G N 1.550 110.381 108.800 0.053 0.000 3.314 44 G HA2 0.059 4.038 3.960 0.030 0.000 0.238 44 G HA3 0.059 4.038 3.960 0.030 0.000 0.238 44 G C 0.325 175.224 174.900 -0.001 0.000 1.184 44 G CA -0.037 45.079 45.100 0.027 0.000 0.806 44 G HN 0.279 nan 8.290 nan 0.000 0.536 45 S N -0.829 114.873 115.700 0.004 0.000 2.707 45 S HA 0.293 4.781 4.470 0.030 0.000 0.276 45 S C 1.538 176.097 174.600 -0.067 0.000 1.179 45 S CA 0.069 58.257 58.200 -0.021 0.000 0.992 45 S CB 1.456 64.656 63.200 -0.000 0.000 1.030 45 S HN 0.535 nan 8.310 nan 0.000 0.554 46 V N -0.859 119.016 119.914 -0.065 0.000 3.444 46 V HA 0.085 4.224 4.120 0.030 0.000 0.271 46 V C 1.574 177.611 176.094 -0.094 0.000 1.188 46 V CA 0.757 63.004 62.300 -0.089 0.000 1.168 46 V CB -1.406 30.376 31.823 -0.069 0.000 0.810 46 V HN 0.669 nan 8.190 nan 0.000 0.500 47 L N 0.920 122.105 121.223 -0.063 0.000 2.353 47 L HA -0.055 4.303 4.340 0.030 0.000 0.220 47 L C 2.701 179.514 176.870 -0.096 0.000 1.133 47 L CA 2.196 57.017 54.840 -0.032 0.000 0.798 47 L CB -1.304 40.782 42.059 0.045 0.000 0.922 47 L HN 0.521 nan 8.230 nan 0.000 0.445 48 T N -1.055 113.298 114.554 -0.335 0.000 2.915 48 T HA -0.152 4.216 4.350 0.030 0.000 0.269 48 T C 1.578 176.098 174.700 -0.300 0.000 1.071 48 T CA 1.625 63.377 62.100 -0.581 0.000 1.132 48 T CB -0.338 67.973 68.868 -0.928 0.000 0.878 48 T HN 0.517 nan 8.240 nan 0.000 0.479 49 N N 0.044 118.619 118.700 -0.209 0.000 2.512 49 N HA 0.018 4.777 4.740 0.030 0.000 0.183 49 N C 0.371 175.795 175.510 -0.143 0.000 1.073 49 N CA 0.217 53.175 53.050 -0.154 0.000 0.911 49 N CB 0.132 38.555 38.487 -0.107 0.000 0.964 49 N HN 0.129 nan 8.380 nan 0.000 0.447 50 K N 0.746 121.056 120.400 -0.150 0.000 2.211 50 K HA 0.155 4.494 4.320 0.030 0.000 0.275 50 K C -1.442 175.010 176.600 -0.247 0.000 1.024 50 K CA -0.490 55.711 56.287 -0.144 0.000 0.887 50 K CB 0.232 32.681 32.500 -0.084 0.000 1.084 50 K HN -0.075 nan 8.250 nan 0.000 0.463 51 Y N 2.360 122.457 120.300 -0.338 0.000 2.359 51 Y HA 0.376 4.948 4.550 0.038 0.000 0.334 51 Y C 0.401 175.941 175.900 -0.599 0.000 1.058 51 Y CA 0.296 58.048 58.100 -0.579 0.000 1.244 51 Y CB 1.438 39.282 38.460 -1.027 0.000 1.187 51 Y HN 0.710 nan 8.280 nan 0.000 0.510 52 A N 4.197 126.916 122.820 -0.169 0.000 3.045 52 A HA 0.277 4.615 4.320 0.030 0.000 0.244 52 A C -0.243 177.321 177.584 -0.033 0.000 0.917 52 A CA -0.616 51.391 52.037 -0.051 0.000 1.075 52 A CB -0.352 18.602 19.000 -0.076 0.000 1.202 52 A HN 0.782 nan 8.150 nan 0.000 0.486 53 E N 0.193 120.450 120.200 0.095 0.000 2.437 53 E HA 0.400 4.768 4.350 0.030 0.000 0.263 53 E C 0.992 177.485 176.600 -0.178 0.000 1.030 53 E CA 1.274 57.472 56.400 -0.338 0.000 0.934 53 E CB 0.548 29.948 29.700 -0.500 0.000 0.943 53 E HN 1.153 nan 8.360 nan 0.000 0.444 54 G N 0.853 109.389 108.800 -0.441 0.000 2.548 54 G HA2 -0.216 3.762 3.960 0.030 0.000 0.208 54 G HA3 -0.216 3.762 3.960 0.030 0.000 0.208 54 G C -1.440 173.174 174.900 -0.477 0.000 1.308 54 G CA -0.726 44.347 45.100 -0.046 0.000 0.924 54 G HN 0.421 nan 8.290 nan 0.000 0.540 55 Y N -0.137 120.207 120.300 0.073 0.000 2.633 55 Y HA 0.609 5.178 4.550 0.031 0.000 0.339 55 Y C -1.964 173.951 175.900 0.025 0.000 1.045 55 Y CA -1.875 56.263 58.100 0.063 0.000 1.098 55 Y CB 1.992 40.515 38.460 0.104 0.000 1.296 55 Y HN 0.428 nan 8.280 nan 0.000 0.494 56 P HA 0.055 nan 4.420 nan 0.000 0.261 56 P C 0.576 177.919 177.300 0.072 0.000 1.183 56 P CA 1.927 65.082 63.100 0.093 0.000 0.761 56 P CB 0.189 31.946 31.700 0.096 0.000 0.785 57 G N 3.197 112.011 108.800 0.023 0.000 2.184 57 G HA2 -0.266 3.712 3.960 0.030 0.000 0.264 57 G HA3 -0.266 3.712 3.960 0.030 0.000 0.264 57 G C 0.540 175.434 174.900 -0.011 0.000 0.975 57 G CA -0.237 44.865 45.100 0.004 0.000 0.642 57 G HN 0.551 nan 8.290 nan 0.000 0.536 58 R N -0.049 120.444 120.500 -0.012 0.000 2.648 58 R HA 0.243 4.602 4.340 0.030 0.000 0.341 58 R C 0.449 176.633 176.300 -0.192 0.000 1.154 58 R CA -0.451 55.608 56.100 -0.069 0.000 1.228 58 R CB 0.311 30.626 30.300 0.025 0.000 1.311 58 R HN 0.278 nan 8.270 nan 0.000 0.659 59 R N -0.120 120.268 120.500 -0.186 0.000 2.543 59 R HA 0.266 4.624 4.340 0.030 0.000 0.268 59 R C 0.466 176.544 176.300 -0.369 0.000 1.067 59 R CA -0.337 55.651 56.100 -0.186 0.000 1.142 59 R CB 0.513 30.801 30.300 -0.019 0.000 1.110 59 R HN 0.131 nan 8.270 nan 0.000 0.549 60 Y N -0.497 119.815 120.300 0.019 0.000 2.468 60 Y HA 0.215 4.782 4.550 0.029 0.000 0.268 60 Y C -0.292 175.413 175.900 -0.325 0.000 1.177 60 Y CA 0.025 58.039 58.100 -0.144 0.000 1.265 60 Y CB 0.280 38.620 38.460 -0.200 0.000 1.103 60 Y HN 0.394 nan 8.280 nan 0.000 0.522 61 Y N -0.998 119.329 120.300 0.045 0.000 2.524 61 Y HA 0.602 5.173 4.550 0.035 0.000 0.347 61 Y C 0.748 176.645 175.900 -0.006 0.000 1.005 61 Y CA -1.812 56.305 58.100 0.029 0.000 1.025 61 Y CB 1.254 39.739 38.460 0.042 0.000 1.275 61 Y HN -0.073 nan 8.280 nan 0.000 0.460 62 G N -0.067 108.820 108.800 0.145 0.000 2.616 62 G HA2 0.402 4.380 3.960 0.030 0.000 0.268 62 G HA3 0.402 4.380 3.960 0.030 0.000 0.268 62 G C 0.800 175.736 174.900 0.060 0.000 1.213 62 G CA -0.137 45.002 45.100 0.065 0.000 0.926 62 G HN 1.452 nan 8.290 nan 0.000 0.523 63 G N -2.395 106.407 108.800 0.003 0.000 2.160 63 G HA2 -0.280 3.698 3.960 0.030 0.000 0.251 63 G HA3 -0.280 3.698 3.960 0.030 0.000 0.251 63 G C 0.787 175.657 174.900 -0.049 0.000 1.008 63 G CA 0.542 45.628 45.100 -0.023 0.000 0.724 63 G HN 0.952 nan 8.290 nan 0.000 0.514 64 C N 0.191 119.456 119.300 -0.059 0.000 2.614 64 C HA 0.359 4.837 4.460 0.030 0.000 0.299 64 C C 2.187 177.098 174.990 -0.132 0.000 1.293 64 C CA 0.268 59.251 59.018 -0.059 0.000 1.713 64 C CB -0.554 27.176 27.740 -0.018 0.000 1.890 64 C HN 0.640 nan 8.230 nan 0.000 0.602 65 E N 0.809 120.835 120.200 -0.290 0.000 2.130 65 E HA -0.200 4.169 4.350 0.030 0.000 0.196 65 E C 1.162 177.548 176.600 -0.358 0.000 0.998 65 E CA 1.796 57.947 56.400 -0.415 0.000 0.806 65 E CB -0.225 29.059 29.700 -0.695 0.000 0.738 65 E HN 0.802 nan 8.360 nan 0.000 0.459 66 Y N -0.736 119.566 120.300 0.003 0.000 2.397 66 Y HA -0.033 4.535 4.550 0.030 0.000 0.292 66 Y C 2.268 178.167 175.900 -0.002 0.000 1.115 66 Y CA 0.381 58.481 58.100 0.000 0.000 1.208 66 Y CB -0.129 38.329 38.460 -0.004 0.000 1.046 66 Y HN 0.012 nan 8.280 nan 0.000 0.552 67 V N -2.252 117.724 119.914 0.103 0.000 2.809 67 V HA -0.157 3.981 4.120 0.030 0.000 0.256 67 V C 1.281 177.394 176.094 0.033 0.000 1.080 67 V CA 1.793 64.125 62.300 0.053 0.000 1.102 67 V CB -0.386 31.449 31.823 0.020 0.000 0.705 67 V HN 0.174 nan 8.190 nan 0.000 0.475 68 D N 1.034 121.445 120.400 0.018 0.000 2.117 68 D HA -0.038 4.620 4.640 0.030 0.000 0.198 68 D C 2.055 178.379 176.300 0.040 0.000 0.982 68 D CA 1.773 55.785 54.000 0.020 0.000 0.828 68 D CB -0.204 40.595 40.800 -0.003 0.000 0.967 68 D HN 0.524 nan 8.370 nan 0.000 0.464 69 I N 0.242 120.844 120.570 0.053 0.000 2.179 69 I HA -0.236 3.952 4.170 0.030 0.000 0.242 69 I C 2.390 178.540 176.117 0.056 0.000 1.088 69 I CA 0.611 61.949 61.300 0.064 0.000 1.357 69 I CB -0.171 37.887 38.000 0.096 0.000 1.051 69 I HN -0.107 nan 8.210 nan 0.000 0.409 70 V N 0.718 120.664 119.914 0.054 0.000 2.287 70 V HA -0.329 3.809 4.120 0.030 0.000 0.248 70 V C 2.498 178.610 176.094 0.031 0.000 1.053 70 V CA 2.328 64.648 62.300 0.033 0.000 1.027 70 V CB -0.648 31.190 31.823 0.025 0.000 0.646 70 V HN 0.507 nan 8.190 nan 0.000 0.447 71 E N -0.317 119.905 120.200 0.037 0.000 2.106 71 E HA -0.224 4.145 4.350 0.030 0.000 0.192 71 E C 2.221 178.863 176.600 0.070 0.000 0.984 71 E CA 1.164 57.594 56.400 0.050 0.000 0.806 71 E CB -0.016 29.716 29.700 0.054 0.000 0.750 71 E HN 0.566 nan 8.360 nan 0.000 0.458 72 E N 0.481 120.721 120.200 0.067 0.000 2.106 72 E HA -0.151 4.217 4.350 0.030 0.000 0.192 72 E C 2.307 178.948 176.600 0.068 0.000 0.984 72 E CA 0.588 57.029 56.400 0.068 0.000 0.806 72 E CB -0.100 29.635 29.700 0.059 0.000 0.750 72 E HN 0.401 nan 8.360 nan 0.000 0.458 73 L N 0.592 121.852 121.223 0.061 0.000 2.012 73 L HA -0.213 4.146 4.340 0.030 0.000 0.210 73 L C 2.617 179.549 176.870 0.104 0.000 1.073 73 L CA 1.328 56.206 54.840 0.064 0.000 0.748 73 L CB -0.594 41.491 42.059 0.043 0.000 0.891 73 L HN 0.073 nan 8.230 nan 0.000 0.431 74 A N 0.112 122.997 122.820 0.108 0.000 1.865 74 A HA -0.226 4.113 4.320 0.030 0.000 0.217 74 A C 2.384 180.138 177.584 0.284 0.000 1.191 74 A CA 1.710 53.876 52.037 0.215 0.000 0.623 74 A CB -0.537 18.532 19.000 0.115 0.000 0.826 74 A HN 0.330 nan 8.150 nan 0.000 0.444 75 R N -0.688 119.902 120.500 0.151 0.000 2.073 75 R HA -0.108 4.251 4.340 0.030 0.000 0.234 75 R C 2.087 178.419 176.300 0.053 0.000 1.134 75 R CA 1.370 57.519 56.100 0.082 0.000 0.952 75 R CB -0.348 29.973 30.300 0.035 0.000 0.850 75 R HN 0.495 nan 8.270 nan 0.000 0.433 76 E N 0.656 120.892 120.200 0.061 0.000 2.106 76 E HA -0.140 4.228 4.350 0.030 0.000 0.192 76 E C 2.040 178.658 176.600 0.030 0.000 0.984 76 E CA 1.102 57.526 56.400 0.039 0.000 0.806 76 E CB -0.074 29.650 29.700 0.040 0.000 0.750 76 E HN 0.306 nan 8.360 nan 0.000 0.458 77 R N 0.518 121.060 120.500 0.069 0.000 2.115 77 R HA 0.010 4.368 4.340 0.030 0.000 0.230 77 R C 2.320 178.581 176.300 -0.065 0.000 1.111 77 R CA 1.066 57.195 56.100 0.048 0.000 0.976 77 R CB -0.251 30.139 30.300 0.150 0.000 0.870 77 R HN 0.090 nan 8.270 nan 0.000 0.445 78 A N 1.490 124.249 122.820 -0.101 0.000 1.902 78 A HA -0.188 4.151 4.320 0.030 0.000 0.217 78 A C 1.856 179.393 177.584 -0.080 0.000 1.181 78 A CA 1.384 53.240 52.037 -0.301 0.000 0.623 78 A CB -0.223 18.585 19.000 -0.319 0.000 0.818 78 A HN 0.174 nan 8.150 nan 0.000 0.443 79 K N -0.740 119.637 120.400 -0.038 0.000 2.097 79 K HA -0.185 4.153 4.320 0.030 0.000 0.206 79 K C 2.373 178.958 176.600 -0.025 0.000 1.049 79 K CA 1.611 57.895 56.287 -0.006 0.000 0.933 79 K CB -0.146 32.354 32.500 -0.000 0.000 0.717 79 K HN 0.657 nan 8.250 nan 0.000 0.442 80 Q N 0.452 120.219 119.800 -0.056 0.000 2.119 80 Q HA -0.146 4.212 4.340 0.030 0.000 0.201 80 Q C 2.002 177.914 176.000 -0.145 0.000 0.972 80 Q CA 0.928 56.688 55.803 -0.073 0.000 0.847 80 Q CB 0.085 28.787 28.738 -0.061 0.000 0.903 80 Q HN 0.137 nan 8.270 nan 0.000 0.433 81 L N -0.540 120.524 121.223 -0.264 0.000 2.046 81 L HA -0.098 4.260 4.340 0.030 0.000 0.208 81 L C 1.298 177.787 176.870 -0.634 0.000 1.077 81 L CA 1.800 56.319 54.840 -0.536 0.000 0.747 81 L CB -0.314 41.252 42.059 -0.822 0.000 0.896 81 L HN 0.251 nan 8.230 nan 0.000 0.432 82 F N -0.996 118.885 119.950 -0.115 0.000 2.678 82 F HA 0.404 4.948 4.527 0.028 0.000 0.305 82 F C 1.687 177.451 175.800 -0.060 0.000 1.090 82 F CA 0.249 58.197 58.000 -0.086 0.000 1.272 82 F CB -0.343 38.584 39.000 -0.121 0.000 1.060 82 F HN 0.103 nan 8.300 nan 0.000 0.576 83 G N 1.292 110.130 108.800 0.063 0.000 2.221 83 G HA2 -0.100 3.878 3.960 0.030 0.000 0.265 83 G HA3 -0.100 3.878 3.960 0.030 0.000 0.265 83 G C 0.262 175.186 174.900 0.040 0.000 1.041 83 G CA 0.064 45.184 45.100 0.033 0.000 0.807 83 G HN 0.650 nan 8.290 nan 0.000 0.502 84 A N -0.888 121.966 122.820 0.056 0.000 2.286 84 A HA 0.777 5.115 4.320 0.030 0.000 0.286 84 A C 1.044 178.650 177.584 0.037 0.000 1.097 84 A CA 0.428 52.488 52.037 0.038 0.000 0.821 84 A CB 0.627 19.645 19.000 0.030 0.000 1.076 84 A HN 0.389 nan 8.150 nan 0.000 0.490 85 E N -0.492 119.737 120.200 0.048 0.000 2.230 85 E HA -0.016 4.352 4.350 0.030 0.000 0.192 85 E C 0.176 176.853 176.600 0.129 0.000 0.987 85 E CA 0.651 57.089 56.400 0.063 0.000 0.841 85 E CB 0.134 29.860 29.700 0.044 0.000 0.783 85 E HN 0.683 nan 8.360 nan 0.000 0.481 86 H N -1.130 117.950 119.070 0.017 0.000 2.996 86 H HA 0.599 5.174 4.556 0.032 0.000 0.368 86 H C -1.861 173.485 175.328 0.030 0.000 1.185 86 H CA -0.604 55.458 56.048 0.023 0.000 1.160 86 H CB 2.082 31.860 29.762 0.027 0.000 1.820 86 H HN 0.018 nan 8.280 nan 0.000 0.547 87 A N 3.320 125.756 122.820 -0.641 0.000 2.475 87 A HA 0.373 4.711 4.320 0.030 0.000 0.301 87 A C -1.198 176.073 177.584 -0.520 0.000 1.059 87 A CA -0.860 50.932 52.037 -0.408 0.000 0.710 87 A CB 1.566 20.464 19.000 -0.171 0.000 1.288 87 A HN 0.786 nan 8.150 nan 0.000 0.408 88 N N 0.942 119.529 118.700 -0.188 0.000 2.483 88 N HA 0.434 5.192 4.740 0.030 0.000 0.267 88 N C 0.047 175.592 175.510 0.059 0.000 0.998 88 N CA -0.496 52.553 53.050 -0.001 0.000 0.918 88 N CB 1.606 40.157 38.487 0.107 0.000 1.215 88 N HN 0.598 nan 8.380 nan 0.000 0.500 89 V N 0.881 120.856 119.914 0.101 0.000 3.376 89 V HA 0.187 4.325 4.120 0.030 0.000 0.313 89 V C 1.109 177.246 176.094 0.072 0.000 1.393 89 V CA 0.265 62.633 62.300 0.114 0.000 1.125 89 V CB 0.042 31.960 31.823 0.158 0.000 1.037 89 V HN 0.678 nan 8.190 nan 0.000 0.440 90 Q N 0.680 120.523 119.800 0.072 0.000 2.331 90 Q HA 0.159 4.517 4.340 0.030 0.000 0.203 90 Q C -1.551 174.398 176.000 -0.085 0.000 0.944 90 Q CA -0.346 55.455 55.803 -0.003 0.000 0.892 90 Q CB -0.880 27.855 28.738 -0.006 0.000 0.983 90 Q HN 0.553 nan 8.270 nan 0.000 0.482 91 P HA -0.119 nan 4.420 nan 0.000 0.262 91 P C -0.115 177.157 177.300 -0.046 0.000 1.182 91 P CA 0.652 63.695 63.100 -0.094 0.000 0.761 91 P CB 0.419 32.103 31.700 -0.026 0.000 0.795 92 H N 0.484 119.551 119.070 -0.005 0.000 2.495 92 H HA 0.035 4.610 4.556 0.031 0.000 0.287 92 H C 1.044 176.369 175.328 -0.005 0.000 1.033 92 H CA 1.066 57.101 56.048 -0.022 0.000 1.307 92 H CB 0.139 29.883 29.762 -0.029 0.000 1.401 92 H HN 0.499 nan 8.280 nan 0.000 0.555 93 S N -2.707 113.067 115.700 0.124 0.000 2.661 93 S HA 0.408 4.896 4.470 0.030 0.000 0.268 93 S C 1.321 175.975 174.600 0.089 0.000 1.162 93 S CA -0.379 57.891 58.200 0.117 0.000 0.817 93 S CB 1.099 64.361 63.200 0.104 0.000 1.141 93 S HN 0.091 nan 8.310 nan 0.000 0.477 94 G N 0.572 109.432 108.800 0.101 0.000 2.408 94 G HA2 0.143 4.122 3.960 0.030 0.000 0.217 94 G HA3 0.143 4.122 3.960 0.030 0.000 0.217 94 G C 1.496 176.429 174.900 0.054 0.000 1.150 94 G CA 1.064 46.181 45.100 0.029 0.000 0.776 94 G HN 1.308 nan 8.290 nan 0.000 0.542 95 A N 0.236 123.122 122.820 0.110 0.000 1.908 95 A HA -0.097 4.241 4.320 0.030 0.000 0.218 95 A C 2.367 180.014 177.584 0.105 0.000 1.181 95 A CA 2.159 54.304 52.037 0.180 0.000 0.627 95 A CB -0.371 18.752 19.000 0.205 0.000 0.818 95 A HN 0.343 nan 8.150 nan 0.000 0.445 96 Q N -0.581 119.240 119.800 0.035 0.000 2.172 96 Q HA 0.146 4.504 4.340 0.030 0.000 0.200 96 Q C 2.251 178.224 176.000 -0.046 0.000 0.964 96 Q CA 1.444 57.226 55.803 -0.036 0.000 0.855 96 Q CB -0.605 28.114 28.738 -0.031 0.000 0.918 96 Q HN 0.647 nan 8.270 nan 0.000 0.444 97 A N 0.753 123.557 122.820 -0.026 0.000 1.877 97 A HA -0.220 4.119 4.320 0.030 0.000 0.216 97 A C 1.800 179.325 177.584 -0.098 0.000 1.186 97 A CA 1.721 53.729 52.037 -0.048 0.000 0.620 97 A CB -0.590 18.388 19.000 -0.036 0.000 0.822 97 A HN 0.332 nan 8.150 nan 0.000 0.443 98 N N -0.537 118.103 118.700 -0.099 0.000 2.084 98 N HA -0.164 4.594 4.740 0.030 0.000 0.190 98 N C 1.735 177.012 175.510 -0.389 0.000 1.030 98 N CA 1.732 54.612 53.050 -0.284 0.000 0.849 98 N CB -0.533 37.873 38.487 -0.137 0.000 1.012 98 N HN 0.631 nan 8.380 nan 0.000 0.423 99 M N 0.525 120.114 119.600 -0.017 0.000 2.108 99 M HA -0.158 4.340 4.480 0.030 0.000 0.261 99 M C 1.816 178.148 176.300 0.053 0.000 1.066 99 M CA 1.749 57.106 55.300 0.094 0.000 1.107 99 M CB -0.032 32.415 32.600 -0.256 0.000 1.356 99 M HN 0.188 nan 8.290 nan 0.000 0.406 100 A N -0.580 122.215 122.820 -0.042 0.000 1.930 100 A HA -0.091 4.247 4.320 0.030 0.000 0.217 100 A C 2.011 179.584 177.584 -0.018 0.000 1.175 100 A CA 1.711 53.752 52.037 0.007 0.000 0.627 100 A CB -0.994 17.994 19.000 -0.020 0.000 0.815 100 A HN 0.432 nan 8.150 nan 0.000 0.443 101 V N -1.000 118.807 119.914 -0.179 0.000 2.307 101 V HA -0.258 3.880 4.120 0.030 0.000 0.245 101 V C 2.426 178.376 176.094 -0.240 0.000 1.045 101 V CA 1.825 63.898 62.300 -0.379 0.000 1.024 101 V CB -1.113 30.431 31.823 -0.465 0.000 0.651 101 V HN 0.627 nan 8.190 nan 0.000 0.449 102 Y N -0.780 119.466 120.300 -0.089 0.000 2.128 102 Y HA -0.212 4.357 4.550 0.032 0.000 0.284 102 Y C 2.312 178.216 175.900 0.007 0.000 1.154 102 Y CA 0.986 59.025 58.100 -0.101 0.000 1.149 102 Y CB -1.314 37.199 38.460 0.089 0.000 0.976 102 Y HN 0.275 nan 8.280 nan 0.000 0.505 103 F N 0.685 120.735 119.950 0.167 0.000 2.202 103 F HA -0.226 4.320 4.527 0.032 0.000 0.301 103 F C 2.193 177.990 175.800 -0.004 0.000 1.082 103 F CA 1.906 59.974 58.000 0.114 0.000 1.313 103 F CB -0.480 38.566 39.000 0.076 0.000 1.024 103 F HN -0.034 nan 8.300 nan 0.000 0.495 104 T N -0.602 113.920 114.554 -0.054 0.000 2.770 104 T HA -0.106 4.263 4.350 0.030 0.000 0.263 104 T C 1.921 176.457 174.700 -0.274 0.000 1.039 104 T CA 1.981 63.966 62.100 -0.191 0.000 1.142 104 T CB -0.450 68.244 68.868 -0.291 0.000 0.868 104 T HN 0.232 nan 8.240 nan 0.000 0.435 105 V N -1.625 118.071 119.914 -0.363 0.000 3.643 105 V HA 0.485 4.623 4.120 0.030 0.000 0.280 105 V C 0.396 176.358 176.094 -0.221 0.000 1.351 105 V CA -0.142 61.933 62.300 -0.375 0.000 1.073 105 V CB -0.509 30.872 31.823 -0.737 0.000 0.863 105 V HN 0.224 nan 8.190 nan 0.000 0.436 106 L N 1.944 123.053 121.223 -0.190 0.000 2.330 106 L HA 0.662 5.021 4.340 0.030 0.000 0.271 106 L C 0.001 176.882 176.870 0.019 0.000 1.013 106 L CA -0.602 54.155 54.840 -0.138 0.000 0.816 106 L CB 1.984 43.800 42.059 -0.406 0.000 1.287 106 L HN 0.408 nan 8.230 nan 0.000 0.435 107 E N 0.105 120.350 120.200 0.075 0.000 2.227 107 E HA 0.218 4.587 4.350 0.030 0.000 0.268 107 E C -0.680 176.078 176.600 0.262 0.000 0.990 107 E CA -0.863 55.615 56.400 0.131 0.000 0.856 107 E CB 1.342 31.084 29.700 0.070 0.000 1.159 107 E HN 0.568 nan 8.360 nan 0.000 0.401 108 H N 0.769 119.921 119.070 0.136 0.000 3.094 108 H HA 0.163 4.737 4.556 0.030 0.000 0.320 108 H C 1.139 176.511 175.328 0.072 0.000 1.000 108 H CA 2.160 58.245 56.048 0.061 0.000 1.413 108 H CB 0.307 30.071 29.762 0.002 0.000 1.405 108 H HN 0.872 nan 8.280 nan 0.000 0.586 109 G N 3.682 112.194 108.800 -0.480 0.000 2.176 109 G HA2 -0.282 3.696 3.960 0.030 0.000 0.253 109 G HA3 -0.282 3.696 3.960 0.030 0.000 0.253 109 G C 0.062 174.919 174.900 -0.072 0.000 0.979 109 G CA 0.149 45.062 45.100 -0.313 0.000 0.641 109 G HN 0.732 nan 8.290 nan 0.000 0.530 110 D N 1.105 121.526 120.400 0.035 0.000 2.382 110 D HA 0.441 5.099 4.640 0.030 0.000 0.240 110 D C 0.835 177.077 176.300 -0.097 0.000 1.146 110 D CA 0.707 54.693 54.000 -0.023 0.000 0.897 110 D CB 0.674 41.446 40.800 -0.046 0.000 1.197 110 D HN 0.100 nan 8.370 nan 0.000 0.432 111 T N 1.012 115.491 114.554 -0.126 0.000 2.832 111 T HA 0.409 4.778 4.350 0.030 0.000 0.296 111 T C -0.029 174.480 174.700 -0.318 0.000 0.968 111 T CA -0.509 61.479 62.100 -0.186 0.000 1.107 111 T CB 0.756 69.567 68.868 -0.095 0.000 0.916 111 T HN -0.012 nan 8.240 nan 0.000 0.517 112 V N 4.215 123.795 119.914 -0.557 0.000 2.656 112 V HA 0.532 4.671 4.120 0.030 0.000 0.307 112 V C -0.674 175.082 176.094 -0.563 0.000 1.051 112 V CA -1.033 60.809 62.300 -0.762 0.000 0.893 112 V CB 1.971 32.837 31.823 -1.595 0.000 0.999 112 V HN 0.672 nan 8.190 nan 0.000 0.426 113 L N 3.869 124.950 121.223 -0.236 0.000 2.287 113 L HA 0.962 5.321 4.340 0.030 0.000 0.287 113 L C 0.213 177.158 176.870 0.125 0.000 1.022 113 L CA 0.529 55.368 54.840 -0.001 0.000 0.814 113 L CB 0.966 43.108 42.059 0.139 0.000 1.217 113 L HN 0.809 nan 8.230 nan 0.000 0.420 114 G N 3.935 112.787 108.800 0.086 0.000 2.733 114 G HA2 0.421 4.399 3.960 0.030 0.000 0.288 114 G HA3 0.421 4.399 3.960 0.030 0.000 0.288 114 G C -1.241 173.273 174.900 -0.643 0.000 1.373 114 G CA -0.991 44.097 45.100 -0.020 0.000 0.895 114 G HN 0.652 nan 8.290 nan 0.000 0.479 115 M N 1.684 120.867 119.600 -0.696 0.000 2.239 115 M HA 0.130 4.628 4.480 0.030 0.000 0.348 115 M C 0.679 176.700 176.300 -0.464 0.000 1.239 115 M CA -0.575 54.196 55.300 -0.882 0.000 1.114 115 M CB 0.373 32.805 32.600 -0.280 0.000 1.641 115 M HN 0.606 nan 8.290 nan 0.000 0.453 116 N N 4.409 122.813 118.700 -0.493 0.000 2.294 116 N HA -0.087 4.671 4.740 0.030 0.000 0.263 116 N C 0.703 176.043 175.510 -0.283 0.000 1.281 116 N CA 0.345 53.140 53.050 -0.425 0.000 0.846 116 N CB 0.497 38.533 38.487 -0.751 0.000 1.061 116 N HN 0.801 nan 8.380 nan 0.000 0.478 117 L N 2.560 123.646 121.223 -0.229 0.000 2.127 117 L HA -0.194 4.165 4.340 0.030 0.000 0.211 117 L C 2.101 178.889 176.870 -0.136 0.000 1.089 117 L CA 1.489 56.223 54.840 -0.176 0.000 0.757 117 L CB -0.722 41.218 42.059 -0.197 0.000 0.899 117 L HN 0.644 nan 8.230 nan 0.000 0.434 118 S N -2.564 113.054 115.700 -0.138 0.000 2.603 118 S HA -0.066 4.422 4.470 0.030 0.000 0.220 118 S C 1.270 175.921 174.600 0.085 0.000 0.967 118 S CA 0.028 58.197 58.200 -0.051 0.000 0.920 118 S CB -0.470 62.698 63.200 -0.054 0.000 0.773 118 S HN 0.558 nan 8.310 nan 0.000 0.529 119 H N -0.353 118.627 119.070 -0.149 0.000 2.652 119 H HA 0.390 4.964 4.556 0.030 0.000 0.274 119 H C 1.503 176.808 175.328 -0.037 0.000 1.021 119 H CA -0.041 55.939 56.048 -0.113 0.000 1.187 119 H CB 0.790 30.475 29.762 -0.128 0.000 1.505 119 H HN 0.595 nan 8.280 nan 0.000 0.530 120 G N 0.538 109.376 108.800 0.063 0.000 2.738 120 G HA2 -0.186 3.792 3.960 0.030 0.000 0.195 120 G HA3 -0.186 3.792 3.960 0.030 0.000 0.195 120 G C 0.741 175.663 174.900 0.036 0.000 1.001 120 G CA -0.365 44.771 45.100 0.061 0.000 0.759 120 G HN 0.507 nan 8.290 nan 0.000 0.494 121 G N -0.063 108.738 108.800 0.001 0.000 2.614 121 G HA2 0.439 4.417 3.960 0.030 0.000 0.239 121 G HA3 0.439 4.417 3.960 0.030 0.000 0.239 121 G C -0.151 174.715 174.900 -0.056 0.000 1.240 121 G CA 0.250 45.378 45.100 0.046 0.000 0.842 121 G HN 0.481 nan 8.290 nan 0.000 0.584 122 H N 1.069 119.908 119.070 -0.386 0.000 2.488 122 H HA 0.142 4.716 4.556 0.031 0.000 0.347 122 H C 1.406 176.467 175.328 -0.444 0.000 1.174 122 H CA -0.898 54.830 56.048 -0.534 0.000 1.307 122 H CB 1.678 30.938 29.762 -0.837 0.000 1.517 122 H HN 0.313 nan 8.280 nan 0.000 0.554 123 L N 2.748 123.273 121.223 -1.164 0.000 2.051 123 L HA -0.211 4.147 4.340 0.030 0.000 0.214 123 L C 2.314 178.864 176.870 -0.534 0.000 1.076 123 L CA 2.572 56.953 54.840 -0.766 0.000 0.758 123 L CB -0.766 40.835 42.059 -0.764 0.000 0.890 123 L HN 0.844 nan 8.230 nan 0.000 0.433 124 T N -4.305 110.015 114.554 -0.389 0.000 3.215 124 T HA -0.029 4.339 4.350 0.030 0.000 0.254 124 T C 0.725 175.445 174.700 0.034 0.000 1.149 124 T CA 0.345 62.399 62.100 -0.076 0.000 1.042 124 T CB -0.749 68.280 68.868 0.268 0.000 0.966 124 T HN 0.402 nan 8.240 nan 0.000 0.534 125 H N 0.690 119.614 119.070 -0.243 0.000 2.524 125 H HA 0.539 5.113 4.556 0.030 0.000 0.297 125 H C 1.595 176.316 175.328 -1.011 0.000 1.115 125 H CA -0.903 54.937 56.048 -0.346 0.000 1.027 125 H CB -0.081 29.635 29.762 -0.076 0.000 1.591 125 H HN 0.541 nan 8.280 nan 0.000 0.543 126 G N -0.174 107.858 108.800 -1.279 0.000 2.205 126 G HA2 -0.256 3.722 3.960 0.030 0.000 0.180 126 G HA3 -0.256 3.722 3.960 0.030 0.000 0.180 126 G C 0.479 175.042 174.900 -0.563 0.000 1.004 126 G CA 0.064 44.351 45.100 -1.355 0.000 0.670 126 G HN 0.494 nan 8.290 nan 0.000 0.496 127 S N 1.552 116.988 115.700 -0.439 0.000 2.558 127 S HA 0.368 4.856 4.470 0.030 0.000 0.293 127 S C -0.014 174.458 174.600 -0.213 0.000 1.292 127 S CA 0.186 58.219 58.200 -0.279 0.000 1.063 127 S CB 1.138 64.185 63.200 -0.255 0.000 0.831 127 S HN 0.179 nan 8.310 nan 0.000 0.499 128 P HA 0.002 nan 4.420 nan 0.000 0.233 128 P C 0.907 178.172 177.300 -0.059 0.000 1.167 128 P CA 0.690 63.739 63.100 -0.085 0.000 0.770 128 P CB -0.296 31.371 31.700 -0.056 0.000 0.837 129 V N -4.385 115.492 119.914 -0.061 0.000 3.376 129 V HA 0.302 4.440 4.120 0.030 0.000 0.313 129 V C 0.614 176.695 176.094 -0.023 0.000 1.393 129 V CA -0.506 61.778 62.300 -0.026 0.000 1.125 129 V CB -0.855 30.965 31.823 -0.006 0.000 1.037 129 V HN 0.010 nan 8.190 nan 0.000 0.440 130 N N 0.527 119.186 118.700 -0.069 0.000 2.432 130 N HA 0.270 5.028 4.740 0.030 0.000 0.292 130 N C 0.949 176.437 175.510 -0.036 0.000 1.193 130 N CA -0.127 52.892 53.050 -0.052 0.000 0.878 130 N CB 2.211 40.588 38.487 -0.183 0.000 1.252 130 N HN 0.188 nan 8.380 nan 0.000 0.520 131 F N 1.624 121.591 119.950 0.029 0.000 2.202 131 F HA -0.124 4.422 4.527 0.031 0.000 0.301 131 F C 2.347 178.194 175.800 0.079 0.000 1.082 131 F CA 1.321 59.352 58.000 0.050 0.000 1.313 131 F CB -0.993 38.059 39.000 0.088 0.000 1.024 131 F HN 0.447 nan 8.300 nan 0.000 0.495 132 S N 0.704 115.809 115.700 -0.991 0.000 2.359 132 S HA -0.131 4.357 4.470 0.030 0.000 0.223 132 S C 2.324 176.844 174.600 -0.132 0.000 1.039 132 S CA 1.200 59.093 58.200 -0.512 0.000 1.042 132 S CB -1.774 61.008 63.200 -0.696 0.000 0.915 132 S HN 0.566 nan 8.310 nan 0.000 0.439 133 G N 0.567 109.206 108.800 -0.268 0.000 2.448 133 G HA2 0.022 4.001 3.960 0.030 0.000 0.218 133 G HA3 0.022 4.001 3.960 0.030 0.000 0.218 133 G C 1.392 176.269 174.900 -0.038 0.000 1.135 133 G CA 0.760 45.788 45.100 -0.119 0.000 0.784 133 G HN 0.482 nan 8.290 nan 0.000 0.543 134 V N 0.104 119.988 119.914 -0.049 0.000 2.407 134 V HA -0.099 4.040 4.120 0.030 0.000 0.245 134 V C 2.649 178.715 176.094 -0.047 0.000 1.041 134 V CA 2.008 64.299 62.300 -0.016 0.000 1.040 134 V CB 0.085 31.923 31.823 0.025 0.000 0.671 134 V HN 0.407 nan 8.190 nan 0.000 0.455 135 Q N -0.827 118.887 119.800 -0.143 0.000 2.137 135 Q HA -0.014 4.344 4.340 0.030 0.000 0.198 135 Q C 0.063 175.646 176.000 -0.695 0.000 0.960 135 Q CA 1.268 56.834 55.803 -0.395 0.000 0.847 135 Q CB 0.110 28.472 28.738 -0.627 0.000 0.915 135 Q HN 0.664 nan 8.270 nan 0.000 0.448 136 Y N -1.066 119.229 120.300 -0.008 0.000 2.630 136 Y HA 0.407 4.975 4.550 0.030 0.000 0.337 136 Y C -0.438 175.428 175.900 -0.056 0.000 1.051 136 Y CA -1.936 56.108 58.100 -0.093 0.000 1.121 136 Y CB 0.622 38.996 38.460 -0.144 0.000 1.299 136 Y HN -0.167 nan 8.280 nan 0.000 0.498 137 N N 1.050 119.765 118.700 0.024 0.000 2.602 137 N HA 0.222 4.981 4.740 0.030 0.000 0.238 137 N C -1.799 173.660 175.510 -0.084 0.000 1.084 137 N CA -0.135 52.900 53.050 -0.025 0.000 0.952 137 N CB -0.374 38.072 38.487 -0.068 0.000 1.244 137 N HN 0.404 nan 8.380 nan 0.000 0.512 138 F N 2.264 122.150 119.950 -0.106 0.000 2.396 138 F HA 0.317 4.862 4.527 0.031 0.000 0.343 138 F C 0.677 176.374 175.800 -0.171 0.000 1.104 138 F CA -0.465 57.453 58.000 -0.136 0.000 1.161 138 F CB 1.042 39.961 39.000 -0.135 0.000 1.146 138 F HN 0.156 nan 8.300 nan 0.000 0.522 139 V N 0.598 120.469 119.914 -0.072 0.000 2.864 139 V HA 0.986 5.124 4.120 0.030 0.000 0.314 139 V C -0.653 175.395 176.094 -0.077 0.000 1.073 139 V CA -1.109 61.087 62.300 -0.173 0.000 0.956 139 V CB 1.290 32.836 31.823 -0.461 0.000 1.023 139 V HN 0.917 nan 8.190 nan 0.000 0.435 140 A N 2.528 125.287 122.820 -0.102 0.000 2.413 140 A HA 0.955 5.293 4.320 0.030 0.000 0.307 140 A C -1.036 176.492 177.584 -0.094 0.000 1.087 140 A CA -0.736 51.203 52.037 -0.163 0.000 0.750 140 A CB 1.570 20.437 19.000 -0.222 0.000 1.296 140 A HN 1.583 nan 8.150 nan 0.000 0.423 141 Y N -0.334 119.953 120.300 -0.022 0.000 2.457 141 Y HA 0.842 5.410 4.550 0.030 0.000 0.333 141 Y C 0.440 176.306 175.900 -0.057 0.000 1.119 141 Y CA -0.934 57.154 58.100 -0.019 0.000 1.143 141 Y CB 0.949 39.407 38.460 -0.004 0.000 1.230 141 Y HN 0.813 nan 8.280 nan 0.000 0.469 142 G N 0.354 109.277 108.800 0.206 0.000 2.788 142 G HA2 0.606 4.584 3.960 0.030 0.000 0.293 142 G HA3 0.606 4.584 3.960 0.030 0.000 0.293 142 G C -1.042 174.065 174.900 0.345 0.000 1.305 142 G CA -0.693 44.551 45.100 0.240 0.000 1.005 142 G HN 1.094 nan 8.290 nan 0.000 0.496 143 V N -1.948 118.248 119.914 0.471 0.000 2.837 143 V HA 0.517 4.656 4.120 0.030 0.000 0.310 143 V C 0.163 176.450 176.094 0.320 0.000 1.059 143 V CA -1.104 61.367 62.300 0.285 0.000 1.004 143 V CB 1.756 33.734 31.823 0.258 0.000 1.045 143 V HN 0.697 nan 8.190 nan 0.000 0.465 144 D N 3.073 123.605 120.400 0.219 0.000 2.455 144 D HA 0.139 4.798 4.640 0.030 0.000 0.241 144 D C -1.677 174.715 176.300 0.154 0.000 1.138 144 D CA -1.111 52.977 54.000 0.147 0.000 0.877 144 D CB 2.026 42.866 40.800 0.067 0.000 1.187 144 D HN 0.446 nan 8.370 nan 0.000 0.451 145 P HA -0.083 nan 4.420 nan 0.000 0.222 145 P C 0.557 177.779 177.300 -0.130 0.000 1.147 145 P CA 1.026 63.977 63.100 -0.248 0.000 0.790 145 P CB 0.494 31.841 31.700 -0.588 0.000 0.780 146 E N -1.403 118.683 120.200 -0.190 0.000 2.206 146 E HA -0.025 4.343 4.350 0.030 0.000 0.195 146 E C 1.959 178.263 176.600 -0.494 0.000 0.935 146 E CA 1.345 57.574 56.400 -0.285 0.000 0.875 146 E CB -1.037 28.569 29.700 -0.158 0.000 0.841 146 E HN 0.231 nan 8.360 nan 0.000 0.477 147 T N -2.158 112.213 114.554 -0.306 0.000 3.043 147 T HA -0.054 4.314 4.350 0.030 0.000 0.263 147 T C 0.165 174.751 174.700 -0.189 0.000 1.094 147 T CA 0.708 62.669 62.100 -0.231 0.000 1.127 147 T CB -0.149 68.685 68.868 -0.056 0.000 0.905 147 T HN 0.160 nan 8.240 nan 0.000 0.490 148 H N -0.683 118.438 119.070 0.085 0.000 3.047 148 H HA -0.106 4.469 4.556 0.031 0.000 0.263 148 H C -0.197 175.258 175.328 0.211 0.000 1.168 148 H CA 0.457 56.577 56.048 0.120 0.000 1.152 148 H CB -2.654 27.155 29.762 0.079 0.000 1.278 148 H HN 0.410 nan 8.280 nan 0.000 0.339 149 V N 1.535 121.611 119.914 0.271 0.000 2.539 149 V HA 0.216 4.355 4.120 0.030 0.000 0.292 149 V C 1.668 177.914 176.094 0.254 0.000 1.045 149 V CA -0.697 61.808 62.300 0.342 0.000 0.945 149 V CB 1.825 33.789 31.823 0.235 0.000 0.993 149 V HN 0.165 nan 8.190 nan 0.000 0.464 150 I N 3.478 124.161 120.570 0.187 0.000 2.906 150 I HA -0.080 4.108 4.170 0.030 0.000 0.302 150 I C 0.677 176.642 176.117 -0.253 0.000 1.220 150 I CA 0.677 61.874 61.300 -0.170 0.000 1.441 150 I CB 0.107 37.785 38.000 -0.537 0.000 1.336 150 I HN 0.646 nan 8.210 nan 0.000 0.565 151 D N 6.752 127.052 120.400 -0.167 0.000 2.411 151 D HA 0.058 4.716 4.640 0.030 0.000 0.225 151 D C 0.563 176.699 176.300 -0.274 0.000 1.156 151 D CA -0.084 53.855 54.000 -0.102 0.000 0.874 151 D CB 0.451 41.265 40.800 0.024 0.000 1.034 151 D HN 0.335 nan 8.370 nan 0.000 0.502 152 Y N 1.644 121.859 120.300 -0.143 0.000 2.333 152 Y HA -0.124 4.444 4.550 0.030 0.000 0.290 152 Y C 1.979 177.765 175.900 -0.190 0.000 1.144 152 Y CA 0.748 58.691 58.100 -0.263 0.000 1.228 152 Y CB 0.209 38.509 38.460 -0.267 0.000 0.985 152 Y HN 0.406 nan 8.280 nan 0.000 0.542 153 D N -0.247 120.158 120.400 0.007 0.000 2.183 153 D HA -0.162 4.496 4.640 0.030 0.000 0.203 153 D C 1.514 177.804 176.300 -0.017 0.000 0.969 153 D CA 1.396 55.392 54.000 -0.005 0.000 0.842 153 D CB -0.193 40.613 40.800 0.011 0.000 0.957 153 D HN 0.409 nan 8.370 nan 0.000 0.484 154 D N 0.394 120.781 120.400 -0.021 0.000 2.149 154 D HA -0.108 4.550 4.640 0.030 0.000 0.201 154 D C 2.140 178.441 176.300 0.001 0.000 0.972 154 D CA 0.452 54.463 54.000 0.018 0.000 0.835 154 D CB 0.192 41.032 40.800 0.067 0.000 0.966 154 D HN -0.100 nan 8.370 nan 0.000 0.476 155 V N 0.578 120.408 119.914 -0.141 0.000 2.287 155 V HA -0.239 3.899 4.120 0.030 0.000 0.248 155 V C 2.624 178.660 176.094 -0.097 0.000 1.053 155 V CA 2.111 64.269 62.300 -0.238 0.000 1.027 155 V CB -0.627 30.788 31.823 -0.681 0.000 0.646 155 V HN 0.221 nan 8.190 nan 0.000 0.447 156 R N 0.039 120.481 120.500 -0.097 0.000 2.075 156 R HA -0.210 4.149 4.340 0.030 0.000 0.232 156 R C 2.401 178.696 176.300 -0.008 0.000 1.126 156 R CA 1.994 58.067 56.100 -0.045 0.000 0.963 156 R CB -0.266 30.008 30.300 -0.044 0.000 0.858 156 R HN 0.702 nan 8.270 nan 0.000 0.435 157 E N 0.222 120.424 120.200 0.002 0.000 2.072 157 E HA -0.186 4.182 4.350 0.030 0.000 0.191 157 E C 1.468 178.086 176.600 0.030 0.000 0.985 157 E CA 0.996 57.403 56.400 0.011 0.000 0.801 157 E CB 0.191 29.900 29.700 0.015 0.000 0.750 157 E HN 0.146 nan 8.360 nan 0.000 0.452 158 K N 0.421 120.873 120.400 0.086 0.000 2.057 158 K HA -0.106 4.232 4.320 0.030 0.000 0.207 158 K C 2.097 178.802 176.600 0.174 0.000 1.049 158 K CA 1.114 57.515 56.287 0.191 0.000 0.931 158 K CB -0.506 32.142 32.500 0.248 0.000 0.714 158 K HN 0.209 nan 8.250 nan 0.000 0.440 159 A N 1.706 124.592 122.820 0.110 0.000 1.877 159 A HA -0.177 4.161 4.320 0.030 0.000 0.216 159 A C 2.247 179.859 177.584 0.047 0.000 1.186 159 A CA 1.462 53.551 52.037 0.087 0.000 0.620 159 A CB -0.404 18.633 19.000 0.061 0.000 0.822 159 A HN 0.272 nan 8.150 nan 0.000 0.443 160 R N -1.269 119.240 120.500 0.015 0.000 2.115 160 R HA -0.046 4.312 4.340 0.030 0.000 0.230 160 R C 2.091 178.365 176.300 -0.044 0.000 1.111 160 R CA 1.281 57.374 56.100 -0.011 0.000 0.976 160 R CB -0.435 29.855 30.300 -0.016 0.000 0.870 160 R HN 0.500 nan 8.270 nan 0.000 0.445 161 L N 0.031 121.199 121.223 -0.091 0.000 2.023 161 L HA -0.097 4.261 4.340 0.030 0.000 0.205 161 L C 1.796 178.505 176.870 -0.269 0.000 1.073 161 L CA 1.879 56.585 54.840 -0.224 0.000 0.745 161 L CB -0.345 41.491 42.059 -0.371 0.000 0.900 161 L HN 0.183 nan 8.230 nan 0.000 0.435 162 H N 0.405 119.477 119.070 0.002 0.000 2.551 162 H HA 0.226 4.800 4.556 0.031 0.000 0.266 162 H C -0.021 175.299 175.328 -0.014 0.000 0.964 162 H CA 0.135 56.179 56.048 -0.007 0.000 1.180 162 H CB 0.174 29.931 29.762 -0.008 0.000 1.408 162 H HN 0.187 nan 8.280 nan 0.000 0.563 163 R N 0.535 121.080 120.500 0.074 0.000 3.127 163 R HA -0.106 4.252 4.340 0.030 0.000 0.247 163 R C -2.612 173.706 176.300 0.030 0.000 0.896 163 R CA 0.031 56.154 56.100 0.038 0.000 0.624 163 R CB -2.325 27.985 30.300 0.016 0.000 1.154 163 R HN 0.436 nan 8.270 nan 0.000 0.474 164 P HA 0.074 nan 4.420 nan 0.000 0.272 164 P C 0.565 177.855 177.300 -0.015 0.000 1.223 164 P CA -0.260 62.828 63.100 -0.019 0.000 0.784 164 P CB 0.886 32.573 31.700 -0.023 0.000 0.923 165 K N 0.736 121.112 120.400 -0.041 0.000 2.305 165 K HA 0.032 4.371 4.320 0.030 0.000 0.199 165 K C 0.279 176.921 176.600 0.071 0.000 1.047 165 K CA 0.464 56.756 56.287 0.009 0.000 0.976 165 K CB 0.029 32.525 32.500 -0.007 0.000 0.765 165 K HN 0.323 nan 8.250 nan 0.000 0.474 166 L N 0.827 122.048 121.223 -0.004 0.000 2.445 166 L HA 0.461 4.819 4.340 0.030 0.000 0.262 166 L C -1.614 175.270 176.870 0.023 0.000 0.974 166 L CA -0.615 54.255 54.840 0.050 0.000 0.822 166 L CB 1.945 43.978 42.059 -0.042 0.000 1.339 166 L HN -0.090 nan 8.230 nan 0.000 0.409 167 I N 4.671 125.315 120.570 0.122 0.000 2.404 167 I HA 0.528 4.716 4.170 0.030 0.000 0.293 167 I C -0.814 175.400 176.117 0.162 0.000 0.992 167 I CA -0.993 60.407 61.300 0.166 0.000 1.149 167 I CB 2.012 40.164 38.000 0.254 0.000 1.315 167 I HN 0.265 nan 8.210 nan 0.000 0.446 168 V N 5.403 125.407 119.914 0.150 0.000 2.435 168 V HA 0.711 4.849 4.120 0.030 0.000 0.290 168 V C 0.177 176.264 176.094 -0.012 0.000 1.030 168 V CA -0.447 61.878 62.300 0.041 0.000 0.881 168 V CB 1.488 33.289 31.823 -0.037 0.000 0.983 168 V HN 0.838 nan 8.190 nan 0.000 0.445 169 A N 4.033 126.730 122.820 -0.204 0.000 2.355 169 A HA 1.054 5.392 4.320 0.030 0.000 0.324 169 A C 0.010 177.512 177.584 -0.136 0.000 1.117 169 A CA 0.051 51.828 52.037 -0.433 0.000 0.785 169 A CB 1.546 19.855 19.000 -1.152 0.000 1.254 169 A HN 2.494 nan 8.150 nan 0.000 0.453 170 A N -0.705 122.107 122.820 -0.013 0.000 2.435 170 A HA 0.563 4.902 4.320 0.030 0.000 0.686 170 A C -0.250 177.465 177.584 0.219 0.000 0.139 170 A CA -0.007 52.114 52.037 0.140 0.000 0.026 170 A CB -1.507 17.603 19.000 0.184 0.000 3.973 170 A HN 2.968 nan 8.150 nan 0.000 0.548 171 A N -0.837 122.125 122.820 0.237 0.000 2.602 171 A HA 0.877 5.215 4.320 0.030 0.000 0.290 171 A C 0.573 178.221 177.584 0.106 0.000 1.114 171 A CA 0.598 52.758 52.037 0.206 0.000 0.683 171 A CB 0.783 19.890 19.000 0.177 0.000 1.281 171 A HN 1.998 nan 8.150 nan 0.000 0.416 172 S N -0.413 115.298 115.700 0.019 0.000 2.517 172 S HA 0.404 4.893 4.470 0.030 0.000 0.214 172 S C 0.748 175.129 174.600 -0.365 0.000 0.991 172 S CA 0.820 58.910 58.200 -0.184 0.000 0.906 172 S CB 0.498 63.734 63.200 0.060 0.000 0.789 172 S HN 1.697 nan 8.310 nan 0.000 0.513 173 A N 0.843 123.584 122.820 -0.133 0.000 3.292 173 A HA 0.494 4.832 4.320 0.030 0.000 0.231 173 A C -1.008 176.603 177.584 0.045 0.000 0.952 173 A CA -0.324 51.652 52.037 -0.101 0.000 1.044 173 A CB 0.119 19.076 19.000 -0.071 0.000 1.236 173 A HN 0.298 nan 8.150 nan 0.000 0.525 174 Y N 1.979 122.239 120.300 -0.068 0.000 2.326 174 Y HA 0.555 5.123 4.550 0.030 0.000 0.331 174 Y C -2.269 173.635 175.900 0.008 0.000 0.962 174 Y CA -2.307 55.798 58.100 0.008 0.000 1.167 174 Y CB 2.292 40.797 38.460 0.076 0.000 1.148 174 Y HN 0.271 nan 8.280 nan 0.000 0.463 175 P HA 0.121 nan 4.420 nan 0.000 0.253 175 P C -0.243 176.842 177.300 -0.360 0.000 1.260 175 P CA 0.512 63.432 63.100 -0.301 0.000 0.800 175 P CB 0.528 32.102 31.700 -0.210 0.000 1.162 176 R N -0.204 119.875 120.500 -0.701 0.000 2.892 176 R HA 0.499 4.857 4.340 0.030 0.000 0.265 176 R C 0.391 176.637 176.300 -0.089 0.000 1.025 176 R CA -1.506 54.359 56.100 -0.391 0.000 0.982 176 R CB 0.686 30.747 30.300 -0.400 0.000 1.185 176 R HN 0.000 nan 8.270 nan 0.000 0.484 177 I N 1.871 122.448 120.570 0.012 0.000 2.692 177 I HA 0.027 4.215 4.170 0.030 0.000 0.284 177 I C 0.504 176.722 176.117 0.168 0.000 1.159 177 I CA 0.436 61.745 61.300 0.015 0.000 1.423 177 I CB 0.355 38.208 38.000 -0.245 0.000 1.380 177 I HN 0.243 nan 8.210 nan 0.000 0.580 178 I N 5.412 126.081 120.570 0.166 0.000 2.353 178 I HA 0.110 4.299 4.170 0.030 0.000 0.293 178 I C 0.123 175.994 176.117 -0.409 0.000 0.992 178 I CA -0.333 60.982 61.300 0.025 0.000 1.268 178 I CB 1.082 39.038 38.000 -0.073 0.000 1.387 178 I HN 0.485 nan 8.210 nan 0.000 0.478 179 D N 6.451 126.786 120.400 -0.108 0.000 2.468 179 D HA 0.133 4.792 4.640 0.030 0.000 0.218 179 D C 0.757 176.975 176.300 -0.136 0.000 1.155 179 D CA -0.046 53.789 54.000 -0.275 0.000 0.924 179 D CB 0.313 40.839 40.800 -0.456 0.000 1.029 179 D HN 0.346 nan 8.370 nan 0.000 0.515 180 F N 1.801 121.766 119.950 0.025 0.000 2.293 180 F HA -0.103 4.442 4.527 0.031 0.000 0.300 180 F C 2.507 178.118 175.800 -0.315 0.000 1.086 180 F CA 0.549 58.537 58.000 -0.019 0.000 1.375 180 F CB -0.062 38.925 39.000 -0.021 0.000 1.045 180 F HN 0.431 nan 8.300 nan 0.000 0.516 181 A N 0.594 123.055 122.820 -0.599 0.000 1.902 181 A HA -0.198 4.140 4.320 0.030 0.000 0.217 181 A C 2.224 179.699 177.584 -0.182 0.000 1.181 181 A CA 1.566 53.242 52.037 -0.602 0.000 0.623 181 A CB -0.523 18.175 19.000 -0.504 0.000 0.818 181 A HN 0.290 nan 8.150 nan 0.000 0.443 182 K N -1.535 118.739 120.400 -0.211 0.000 2.057 182 K HA -0.080 4.259 4.320 0.030 0.000 0.206 182 K C 1.697 178.241 176.600 -0.093 0.000 1.050 182 K CA 1.420 57.577 56.287 -0.218 0.000 0.935 182 K CB -0.350 31.842 32.500 -0.514 0.000 0.715 182 K HN 0.464 nan 8.250 nan 0.000 0.439 183 F N 1.280 121.246 119.950 0.026 0.000 2.126 183 F HA -0.211 4.335 4.527 0.032 0.000 0.299 183 F C 2.640 178.490 175.800 0.083 0.000 1.096 183 F CA 1.376 59.428 58.000 0.087 0.000 1.255 183 F CB -0.189 38.909 39.000 0.163 0.000 0.997 183 F HN -0.053 nan 8.300 nan 0.000 0.479 184 R N 0.850 121.510 120.500 0.267 0.000 2.092 184 R HA -0.143 4.215 4.340 0.030 0.000 0.231 184 R C 2.044 178.426 176.300 0.137 0.000 1.119 184 R CA 1.661 57.886 56.100 0.209 0.000 0.970 184 R CB -0.766 29.683 30.300 0.248 0.000 0.864 184 R HN 0.385 nan 8.270 nan 0.000 0.440 185 E N -0.135 120.115 120.200 0.084 0.000 2.085 185 E HA -0.182 4.187 4.350 0.030 0.000 0.194 185 E C 1.837 178.456 176.600 0.033 0.000 0.994 185 E CA 1.629 58.054 56.400 0.043 0.000 0.801 185 E CB -0.105 29.594 29.700 -0.001 0.000 0.743 185 E HN 0.428 nan 8.360 nan 0.000 0.453 186 I N 0.655 121.238 120.570 0.022 0.000 2.252 186 I HA -0.219 3.970 4.170 0.030 0.000 0.245 186 I C 2.571 178.721 176.117 0.054 0.000 1.102 186 I CA 0.861 62.168 61.300 0.012 0.000 1.385 186 I CB -0.289 37.687 38.000 -0.039 0.000 1.064 186 I HN 0.133 nan 8.210 nan 0.000 0.414 187 A N 0.639 123.522 122.820 0.106 0.000 1.908 187 A HA -0.249 4.090 4.320 0.030 0.000 0.218 187 A C 1.945 179.580 177.584 0.086 0.000 1.181 187 A CA 2.140 54.252 52.037 0.125 0.000 0.627 187 A CB -0.605 18.516 19.000 0.202 0.000 0.818 187 A HN 0.334 nan 8.150 nan 0.000 0.445 188 D N -0.748 119.704 120.400 0.087 0.000 2.144 188 D HA -0.147 4.511 4.640 0.030 0.000 0.199 188 D C 1.866 178.184 176.300 0.030 0.000 0.984 188 D CA 1.424 55.460 54.000 0.060 0.000 0.834 188 D CB -0.367 40.471 40.800 0.063 0.000 0.955 188 D HN 0.744 nan 8.370 nan 0.000 0.465 189 E N 0.397 120.613 120.200 0.027 0.000 2.085 189 E HA -0.152 4.216 4.350 0.030 0.000 0.194 189 E C 1.714 178.319 176.600 0.008 0.000 0.994 189 E CA 1.276 57.684 56.400 0.013 0.000 0.801 189 E CB 0.268 29.973 29.700 0.007 0.000 0.743 189 E HN 0.232 nan 8.360 nan 0.000 0.453 190 V N -3.273 116.649 119.914 0.013 0.000 3.621 190 V HA 0.439 4.577 4.120 0.030 0.000 0.285 190 V C 0.941 177.031 176.094 -0.006 0.000 1.346 190 V CA 0.318 62.622 62.300 0.006 0.000 1.104 190 V CB 0.035 31.868 31.823 0.016 0.000 0.913 190 V HN 0.276 nan 8.190 nan 0.000 0.432 191 G N 0.333 109.124 108.800 -0.015 0.000 2.272 191 G HA2 0.055 4.033 3.960 0.030 0.000 0.280 191 G HA3 0.055 4.033 3.960 0.030 0.000 0.280 191 G C 0.149 174.992 174.900 -0.095 0.000 1.067 191 G CA 0.417 45.483 45.100 -0.056 0.000 0.902 191 G HN 1.677 nan 8.290 nan 0.000 0.500 192 A N -0.688 122.100 122.820 -0.054 0.000 2.330 192 A HA 0.880 5.218 4.320 0.030 0.000 0.329 192 A C -0.107 177.437 177.584 -0.068 0.000 1.135 192 A CA -0.867 51.145 52.037 -0.043 0.000 0.817 192 A CB 1.041 20.072 19.000 0.051 0.000 1.269 192 A HN 0.554 nan 8.150 nan 0.000 0.469 193 Y N -0.282 120.004 120.300 -0.024 0.000 2.314 193 Y HA 0.425 4.994 4.550 0.031 0.000 0.334 193 Y C 0.243 176.270 175.900 0.212 0.000 1.266 193 Y CA 0.177 58.242 58.100 -0.059 0.000 1.391 193 Y CB 0.896 39.326 38.460 -0.051 0.000 1.306 193 Y HN 0.558 nan 8.280 nan 0.000 0.558 194 L N 4.102 125.707 121.223 0.636 0.000 2.333 194 L HA 0.535 4.893 4.340 0.030 0.000 0.280 194 L C -0.967 176.096 176.870 0.321 0.000 1.004 194 L CA -0.832 54.236 54.840 0.380 0.000 0.820 194 L CB 1.267 43.498 42.059 0.286 0.000 1.247 194 L HN 0.725 nan 8.230 nan 0.000 0.416 195 M N 5.669 125.404 119.600 0.225 0.000 2.294 195 M HA 0.620 5.119 4.480 0.030 0.000 0.335 195 M C -1.733 174.581 176.300 0.023 0.000 1.079 195 M CA -0.618 54.784 55.300 0.170 0.000 0.982 195 M CB 1.609 34.304 32.600 0.159 0.000 1.651 195 M HN 0.431 nan 8.290 nan 0.000 0.437 196 V N 4.293 124.177 119.914 -0.051 0.000 2.384 196 V HA 0.270 4.408 4.120 0.030 0.000 0.287 196 V C -0.700 175.325 176.094 -0.115 0.000 1.020 196 V CA -0.589 61.621 62.300 -0.149 0.000 0.850 196 V CB 1.555 33.150 31.823 -0.381 0.000 0.987 196 V HN 0.776 nan 8.190 nan 0.000 0.436 197 D N 5.784 126.148 120.400 -0.060 0.000 2.456 197 D HA 0.228 4.886 4.640 0.030 0.000 0.219 197 D C 0.812 177.114 176.300 0.003 0.000 1.126 197 D CA -0.466 53.530 54.000 -0.007 0.000 0.890 197 D CB 1.104 41.974 40.800 0.116 0.000 1.025 197 D HN 0.605 nan 8.370 nan 0.000 0.511 198 M N 1.793 121.346 119.600 -0.078 0.000 2.530 198 M HA 0.353 4.852 4.480 0.030 0.000 0.231 198 M C 1.366 177.626 176.300 -0.066 0.000 1.180 198 M CA -0.361 54.896 55.300 -0.072 0.000 0.985 198 M CB 0.596 33.097 32.600 -0.166 0.000 1.623 198 M HN 0.145 nan 8.290 nan 0.000 0.475 199 A N 1.157 123.939 122.820 -0.064 0.000 1.896 199 A HA -0.267 4.071 4.320 0.030 0.000 0.220 199 A C 1.802 179.295 177.584 -0.152 0.000 1.206 199 A CA 2.546 54.502 52.037 -0.134 0.000 0.647 199 A CB -1.349 17.554 19.000 -0.161 0.000 0.828 199 A HN 0.748 nan 8.150 nan 0.000 0.455 200 H N -0.437 118.592 119.070 -0.068 0.000 2.387 200 H HA 0.005 4.581 4.556 0.033 0.000 0.299 200 H C 1.733 176.938 175.328 -0.205 0.000 1.090 200 H CA 1.810 57.826 56.048 -0.053 0.000 1.332 200 H CB -0.113 29.740 29.762 0.153 0.000 1.386 200 H HN 0.677 nan 8.280 nan 0.000 0.516 201 I N -3.042 117.521 120.570 -0.011 0.000 3.928 201 I HA 0.396 4.585 4.170 0.030 0.000 0.335 201 I C 1.923 178.026 176.117 -0.024 0.000 1.325 201 I CA 0.254 61.510 61.300 -0.073 0.000 1.107 201 I CB 0.309 38.245 38.000 -0.105 0.000 1.014 201 I HN 0.071 nan 8.210 nan 0.000 0.400 202 A N 2.277 125.088 122.820 -0.015 0.000 1.917 202 A HA -0.110 4.228 4.320 0.030 0.000 0.219 202 A C 2.354 180.099 177.584 0.269 0.000 1.182 202 A CA 2.172 54.263 52.037 0.091 0.000 0.633 202 A CB -1.459 17.544 19.000 0.005 0.000 0.819 202 A HN 0.546 nan 8.150 nan 0.000 0.448 203 G N -0.331 108.602 108.800 0.223 0.000 2.422 203 G HA2 -0.135 3.844 3.960 0.030 0.000 0.218 203 G HA3 -0.135 3.844 3.960 0.030 0.000 0.218 203 G C 1.533 176.627 174.900 0.323 0.000 1.146 203 G CA 1.019 46.357 45.100 0.397 0.000 0.769 203 G HN 0.460 nan 8.290 nan 0.000 0.547 204 L N 0.220 121.544 121.223 0.168 0.000 2.056 204 L HA -0.062 4.296 4.340 0.030 0.000 0.207 204 L C 2.948 179.949 176.870 0.218 0.000 1.078 204 L CA 0.387 55.316 54.840 0.149 0.000 0.749 204 L CB -0.693 41.447 42.059 0.135 0.000 0.901 204 L HN 0.066 nan 8.230 nan 0.000 0.433 205 V N 0.519 120.584 119.914 0.251 0.000 2.295 205 V HA -0.294 3.844 4.120 0.030 0.000 0.246 205 V C 2.808 179.052 176.094 0.249 0.000 1.049 205 V CA 1.913 64.395 62.300 0.303 0.000 1.024 205 V CB -0.865 31.159 31.823 0.336 0.000 0.648 205 V HN 0.488 nan 8.190 nan 0.000 0.447 206 A N -0.340 122.608 122.820 0.213 0.000 2.019 206 A HA 0.003 4.341 4.320 0.030 0.000 0.219 206 A C 2.128 179.746 177.584 0.056 0.000 1.164 206 A CA 1.786 53.776 52.037 -0.077 0.000 0.644 206 A CB -0.462 18.372 19.000 -0.278 0.000 0.805 206 A HN 0.614 nan 8.150 nan 0.000 0.449 207 A N -1.861 121.066 122.820 0.178 0.000 2.345 207 A HA 0.449 4.787 4.320 0.030 0.000 0.225 207 A C 1.606 179.252 177.584 0.103 0.000 1.243 207 A CA 0.987 53.118 52.037 0.157 0.000 0.875 207 A CB -0.840 18.247 19.000 0.146 0.000 0.929 207 A HN 1.824 nan 8.150 nan 0.000 0.502 208 G N -0.773 108.095 108.800 0.113 0.000 2.160 208 G HA2 -0.240 3.738 3.960 0.030 0.000 0.251 208 G HA3 -0.240 3.738 3.960 0.030 0.000 0.251 208 G C 0.522 175.486 174.900 0.107 0.000 1.008 208 G CA 0.551 45.715 45.100 0.106 0.000 0.724 208 G HN 0.539 nan 8.290 nan 0.000 0.514 209 L N -0.424 120.876 121.223 0.128 0.000 2.640 209 L HA 0.372 4.731 4.340 0.030 0.000 0.230 209 L C 0.881 177.850 176.870 0.165 0.000 1.123 209 L CA -0.174 54.733 54.840 0.111 0.000 0.900 209 L CB 0.275 42.380 42.059 0.077 0.000 1.146 209 L HN 0.400 nan 8.230 nan 0.000 0.484 210 H N 0.406 119.549 119.070 0.122 0.000 2.865 210 H HA 0.356 4.930 4.556 0.031 0.000 0.362 210 H C -2.720 172.727 175.328 0.199 0.000 1.114 210 H CA -1.920 54.221 56.048 0.155 0.000 1.208 210 H CB 2.692 32.567 29.762 0.188 0.000 1.727 210 H HN -0.254 nan 8.280 nan 0.000 0.534 211 P HA -0.060 nan 4.420 nan 0.000 0.264 211 P C -0.172 177.495 177.300 0.612 0.000 1.183 211 P CA 0.214 63.516 63.100 0.335 0.000 0.763 211 P CB 0.492 32.308 31.700 0.193 0.000 0.807 212 N N 4.175 123.135 118.700 0.433 0.000 2.444 212 N HA 0.119 4.877 4.740 0.030 0.000 0.271 212 N C -1.570 174.109 175.510 0.282 0.000 1.069 212 N CA -2.297 50.952 53.050 0.331 0.000 0.965 212 N CB 0.519 39.145 38.487 0.233 0.000 1.092 212 N HN 0.201 nan 8.380 nan 0.000 0.476 213 P HA -0.046 nan 4.420 nan 0.000 0.231 213 P C 1.356 178.585 177.300 -0.119 0.000 1.168 213 P CA 0.332 63.196 63.100 -0.394 0.000 0.779 213 P CB 0.492 31.586 31.700 -1.010 0.000 0.844 214 V N 2.361 122.229 119.914 -0.076 0.000 2.250 214 V HA -0.180 3.958 4.120 0.030 0.000 0.250 214 V C -0.191 175.841 176.094 -0.103 0.000 1.060 214 V CA 2.798 65.053 62.300 -0.075 0.000 1.030 214 V CB -2.598 29.211 31.823 -0.023 0.000 0.643 214 V HN 0.220 nan 8.190 nan 0.000 0.445 215 P HA -0.097 nan 4.420 nan 0.000 0.226 215 P C 0.926 177.942 177.300 -0.474 0.000 1.153 215 P CA 1.485 64.383 63.100 -0.336 0.000 0.777 215 P CB -0.074 31.352 31.700 -0.457 0.000 0.794 216 Y N -0.797 119.476 120.300 -0.044 0.000 2.535 216 Y HA 0.431 4.999 4.550 0.030 0.000 0.266 216 Y C 1.466 177.284 175.900 -0.136 0.000 1.088 216 Y CA -0.244 57.831 58.100 -0.042 0.000 1.285 216 Y CB -0.355 38.153 38.460 0.079 0.000 1.166 216 Y HN -0.182 nan 8.280 nan 0.000 0.525 217 A N -0.528 122.269 122.820 -0.038 0.000 2.303 217 A HA 0.367 4.705 4.320 0.030 0.000 0.317 217 A C -0.038 177.397 177.584 -0.248 0.000 1.149 217 A CA -0.402 51.564 52.037 -0.118 0.000 0.822 217 A CB 0.301 19.243 19.000 -0.098 0.000 1.131 217 A HN 0.461 nan 8.150 nan 0.000 0.493 218 H N 0.749 119.729 119.070 -0.151 0.000 2.389 218 H HA 0.109 4.683 4.556 0.030 0.000 0.299 218 H C -0.657 174.148 175.328 -0.870 0.000 1.081 218 H CA 2.049 57.799 56.048 -0.498 0.000 1.345 218 H CB -0.025 29.279 29.762 -0.763 0.000 1.393 218 H HN 0.574 nan 8.280 nan 0.000 0.520 219 F N -0.388 119.574 119.950 0.020 0.000 2.556 219 F HA 0.477 5.022 4.527 0.030 0.000 0.314 219 F C -0.834 174.917 175.800 -0.081 0.000 1.106 219 F CA -1.179 56.790 58.000 -0.051 0.000 0.911 219 F CB 1.911 40.843 39.000 -0.114 0.000 1.190 219 F HN -0.333 nan 8.300 nan 0.000 0.448 220 V N 1.900 121.845 119.914 0.052 0.000 2.444 220 V HA 0.584 4.723 4.120 0.030 0.000 0.294 220 V C -0.214 175.830 176.094 -0.084 0.000 1.022 220 V CA -0.678 61.575 62.300 -0.078 0.000 0.850 220 V CB 1.944 33.655 31.823 -0.186 0.000 0.992 220 V HN 0.902 nan 8.190 nan 0.000 0.426 221 T N 0.865 115.362 114.554 -0.094 0.000 2.952 221 T HA 0.858 5.226 4.350 0.030 0.000 0.286 221 T C -0.301 174.318 174.700 -0.135 0.000 1.024 221 T CA -0.689 61.353 62.100 -0.097 0.000 1.029 221 T CB 2.189 71.013 68.868 -0.074 0.000 1.094 221 T HN 0.743 nan 8.240 nan 0.000 0.515 222 T N 0.305 114.782 114.554 -0.127 0.000 2.775 222 T HA 0.562 4.930 4.350 0.030 0.000 0.320 222 T C -0.917 173.708 174.700 -0.125 0.000 1.597 222 T CA -0.373 61.637 62.100 -0.150 0.000 1.022 222 T CB 1.245 69.980 68.868 -0.221 0.000 1.485 222 T HN 1.211 nan 8.240 nan 0.000 0.494 223 T N -0.081 114.359 114.554 -0.190 0.000 2.934 223 T HA 0.504 4.872 4.350 0.030 0.000 0.283 223 T C 1.379 175.965 174.700 -0.189 0.000 1.005 223 T CA 0.129 62.078 62.100 -0.252 0.000 1.041 223 T CB 1.155 69.627 68.868 -0.660 0.000 1.042 223 T HN 0.761 nan 8.240 nan 0.000 0.505 224 T N -2.028 112.496 114.554 -0.051 0.000 3.060 224 T HA 0.015 4.384 4.350 0.030 0.000 0.249 224 T C 1.320 176.047 174.700 0.045 0.000 1.079 224 T CA 0.197 62.343 62.100 0.076 0.000 1.013 224 T CB -0.461 68.502 68.868 0.159 0.000 0.975 224 T HN 0.912 nan 8.240 nan 0.000 0.518 225 H N 0.164 119.230 119.070 -0.007 0.000 2.551 225 H HA 0.451 5.026 4.556 0.032 0.000 0.271 225 H C 0.881 176.176 175.328 -0.055 0.000 0.984 225 H CA -0.391 55.640 56.048 -0.028 0.000 1.164 225 H CB 0.268 30.003 29.762 -0.045 0.000 1.437 225 H HN 0.293 nan 8.280 nan 0.000 0.550 226 K N 1.093 121.362 120.400 -0.219 0.000 3.502 226 K HA 0.054 4.392 4.320 0.030 0.000 0.163 226 K C 1.976 178.531 176.600 -0.076 0.000 1.142 226 K CA 0.784 56.954 56.287 -0.195 0.000 1.539 226 K CB -0.182 32.071 32.500 -0.412 0.000 2.125 226 K HN 0.159 nan 8.250 nan 0.000 0.491 227 T N 0.358 114.849 114.554 -0.104 0.000 3.007 227 T HA -0.074 4.294 4.350 0.030 0.000 0.270 227 T C 1.767 176.616 174.700 0.248 0.000 1.107 227 T CA 0.658 62.768 62.100 0.016 0.000 1.118 227 T CB -0.074 68.714 68.868 -0.134 0.000 0.889 227 T HN 0.083 nan 8.240 nan 0.000 0.506 228 L N 1.178 122.510 121.223 0.182 0.000 2.376 228 L HA 0.337 4.695 4.340 0.030 0.000 0.219 228 L C 1.559 178.569 176.870 0.233 0.000 1.133 228 L CA 0.929 55.917 54.840 0.247 0.000 0.816 228 L CB -1.077 41.089 42.059 0.179 0.000 0.933 228 L HN 0.416 nan 8.230 nan 0.000 0.449 229 R N -1.036 119.582 120.500 0.197 0.000 3.531 229 R HA -0.154 4.205 4.340 0.030 0.000 0.280 229 R C 0.429 176.781 176.300 0.088 0.000 1.130 229 R CA 0.427 56.618 56.100 0.151 0.000 0.757 229 R CB -1.738 28.694 30.300 0.219 0.000 1.218 229 R HN 0.560 nan 8.270 nan 0.000 0.454 230 G N 0.169 109.017 108.800 0.080 0.000 2.753 230 G HA2 0.676 4.654 3.960 0.030 0.000 0.285 230 G HA3 0.676 4.654 3.960 0.030 0.000 0.285 230 G C -2.550 172.375 174.900 0.042 0.000 1.344 230 G CA -0.984 44.135 45.100 0.031 0.000 1.050 230 G HN 0.137 nan 8.290 nan 0.000 0.532 231 P HA 0.148 nan 4.420 nan 0.000 0.272 231 P C -0.551 176.773 177.300 0.040 0.000 1.240 231 P CA -0.452 62.640 63.100 -0.013 0.000 0.791 231 P CB 1.061 32.718 31.700 -0.071 0.000 0.978 232 R N 0.420 120.893 120.500 -0.045 0.000 2.370 232 R HA 0.496 4.855 4.340 0.030 0.000 0.309 232 R C 0.309 176.608 176.300 -0.001 0.000 1.059 232 R CA 0.567 56.571 56.100 -0.161 0.000 0.981 232 R CB -0.540 29.531 30.300 -0.381 0.000 0.972 232 R HN 0.851 nan 8.270 nan 0.000 0.437 233 G N 1.414 110.349 108.800 0.224 0.000 2.321 233 G HA2 0.394 4.372 3.960 0.030 0.000 0.296 233 G HA3 0.394 4.372 3.960 0.030 0.000 0.296 233 G C -1.286 173.712 174.900 0.163 0.000 1.287 233 G CA -0.423 44.759 45.100 0.138 0.000 0.846 233 G HN 0.803 nan 8.290 nan 0.000 0.508 234 G N -1.444 107.411 108.800 0.092 0.000 2.788 234 G HA2 0.857 4.836 3.960 0.030 0.000 0.293 234 G HA3 0.857 4.836 3.960 0.030 0.000 0.293 234 G C -0.808 174.122 174.900 0.050 0.000 1.305 234 G CA -0.271 44.860 45.100 0.052 0.000 1.005 234 G HN 1.326 nan 8.290 nan 0.000 0.496 235 M N -0.438 119.172 119.600 0.017 0.000 2.490 235 M HA 0.590 5.088 4.480 0.030 0.000 0.286 235 M C -2.211 174.069 176.300 -0.034 0.000 1.185 235 M CA -0.597 54.713 55.300 0.017 0.000 0.912 235 M CB 2.061 34.692 32.600 0.051 0.000 1.744 235 M HN 0.411 nan 8.290 nan 0.000 0.494 236 I N 4.334 124.892 120.570 -0.019 0.000 2.509 236 I HA 0.530 4.718 4.170 0.030 0.000 0.293 236 I C -1.292 174.814 176.117 -0.018 0.000 1.020 236 I CA -0.723 60.570 61.300 -0.012 0.000 1.088 236 I CB 2.102 40.124 38.000 0.038 0.000 1.267 236 I HN 0.594 nan 8.210 nan 0.000 0.430 237 L N 5.959 127.165 121.223 -0.028 0.000 2.346 237 L HA 0.832 5.190 4.340 0.030 0.000 0.274 237 L C -0.581 176.332 176.870 0.072 0.000 1.007 237 L CA -0.619 54.207 54.840 -0.023 0.000 0.818 237 L CB 1.929 43.916 42.059 -0.120 0.000 1.284 237 L HN 0.833 nan 8.230 nan 0.000 0.424 238 C N -0.245 119.132 119.300 0.128 0.000 3.275 238 C HA 0.383 4.861 4.460 0.030 0.000 0.340 238 C C -0.756 174.335 174.990 0.169 0.000 1.366 238 C CA -0.976 58.142 59.018 0.166 0.000 1.227 238 C CB 1.794 29.717 27.740 0.307 0.000 1.512 238 C HN 0.876 nan 8.230 nan 0.000 0.461 239 Q N 0.477 120.376 119.800 0.165 0.000 2.368 239 Q HA 0.166 4.524 4.340 0.030 0.000 0.237 239 Q C 0.972 176.991 176.000 0.032 0.000 0.987 239 Q CA 0.118 55.964 55.803 0.072 0.000 0.896 239 Q CB 1.142 29.886 28.738 0.010 0.000 1.241 239 Q HN 0.847 nan 8.270 nan 0.000 0.485 240 E N 1.208 121.395 120.200 -0.022 0.000 2.147 240 E HA -0.280 4.088 4.350 0.030 0.000 0.199 240 E C 1.739 178.244 176.600 -0.157 0.000 1.005 240 E CA 2.057 58.413 56.400 -0.073 0.000 0.810 240 E CB 0.094 29.759 29.700 -0.060 0.000 0.736 240 E HN 0.564 nan 8.360 nan 0.000 0.460 241 Q N -0.847 118.801 119.800 -0.255 0.000 2.291 241 Q HA -0.162 4.197 4.340 0.030 0.000 0.206 241 Q C 1.194 176.906 176.000 -0.480 0.000 0.976 241 Q CA 1.269 56.826 55.803 -0.409 0.000 0.875 241 Q CB -0.413 27.985 28.738 -0.566 0.000 0.927 241 Q HN 0.430 nan 8.270 nan 0.000 0.450 242 F N 0.169 120.120 119.950 0.002 0.000 2.678 242 F HA 0.470 5.015 4.527 0.030 0.000 0.305 242 F C 2.130 177.936 175.800 0.010 0.000 1.090 242 F CA -0.174 57.867 58.000 0.069 0.000 1.272 242 F CB -0.103 39.027 39.000 0.215 0.000 1.060 242 F HN 0.053 nan 8.300 nan 0.000 0.576 243 A N 0.942 123.740 122.820 -0.038 0.000 1.873 243 A HA -0.292 4.046 4.320 0.030 0.000 0.218 243 A C 2.340 179.751 177.584 -0.289 0.000 1.193 243 A CA 2.272 54.059 52.037 -0.417 0.000 0.629 243 A CB -0.655 17.845 19.000 -0.833 0.000 0.826 243 A HN 0.350 nan 8.150 nan 0.000 0.447 244 K N -0.661 119.637 120.400 -0.170 0.000 2.057 244 K HA -0.212 4.126 4.320 0.030 0.000 0.207 244 K C 2.272 178.870 176.600 -0.003 0.000 1.049 244 K CA 1.772 58.004 56.287 -0.092 0.000 0.931 244 K CB -0.211 32.257 32.500 -0.053 0.000 0.714 244 K HN 0.656 nan 8.250 nan 0.000 0.440 245 Q N 0.125 119.960 119.800 0.057 0.000 2.079 245 Q HA -0.113 4.245 4.340 0.030 0.000 0.200 245 Q C 2.077 178.140 176.000 0.105 0.000 0.974 245 Q CA 1.162 57.023 55.803 0.097 0.000 0.840 245 Q CB 0.009 28.836 28.738 0.149 0.000 0.898 245 Q HN 0.299 nan 8.270 nan 0.000 0.430 246 I N 1.308 121.958 120.570 0.133 0.000 2.226 246 I HA -0.230 3.958 4.170 0.030 0.000 0.245 246 I C 1.471 177.669 176.117 0.135 0.000 1.100 246 I CA 1.388 62.770 61.300 0.135 0.000 1.374 246 I CB -0.881 37.250 38.000 0.219 0.000 1.057 246 I HN 0.214 nan 8.210 nan 0.000 0.413 247 D N 0.876 121.322 120.400 0.077 0.000 2.144 247 D HA -0.157 4.502 4.640 0.030 0.000 0.199 247 D C 2.206 178.641 176.300 0.225 0.000 0.984 247 D CA 1.103 55.113 54.000 0.018 0.000 0.834 247 D CB -0.058 40.478 40.800 -0.441 0.000 0.955 247 D HN 0.315 nan 8.370 nan 0.000 0.465 248 K N 0.443 120.941 120.400 0.163 0.000 2.155 248 K HA 0.039 4.377 4.320 0.030 0.000 0.203 248 K C 2.077 178.790 176.600 0.188 0.000 1.052 248 K CA 0.857 57.255 56.287 0.185 0.000 0.948 248 K CB 0.034 32.609 32.500 0.125 0.000 0.728 248 K HN 0.006 nan 8.250 nan 0.000 0.448 249 A N 1.584 124.524 122.820 0.200 0.000 1.902 249 A HA -0.162 4.176 4.320 0.030 0.000 0.217 249 A C 2.043 179.705 177.584 0.130 0.000 1.181 249 A CA 1.222 53.416 52.037 0.260 0.000 0.623 249 A CB -0.394 18.744 19.000 0.230 0.000 0.818 249 A HN 0.091 nan 8.150 nan 0.000 0.443 250 I N -2.751 117.915 120.570 0.160 0.000 2.202 250 I HA -0.000 4.188 4.170 0.030 0.000 0.242 250 I C 0.485 176.724 176.117 0.204 0.000 1.091 250 I CA 1.337 62.722 61.300 0.142 0.000 1.368 250 I CB -0.560 37.565 38.000 0.208 0.000 1.058 250 I HN 0.352 nan 8.210 nan 0.000 0.410 251 F N 2.897 122.943 119.950 0.160 0.000 2.941 251 F HA 0.396 4.943 4.527 0.033 0.000 0.359 251 F C -2.429 173.476 175.800 0.175 0.000 1.231 251 F CA -1.494 56.577 58.000 0.118 0.000 1.089 251 F CB 1.779 40.810 39.000 0.052 0.000 1.407 251 F HN -0.217 nan 8.300 nan 0.000 0.538 252 P HA 0.239 nan 4.420 nan 0.000 0.282 252 P C 1.062 178.097 177.300 -0.442 0.000 1.373 252 P CA 0.337 62.749 63.100 -1.146 0.000 1.001 252 P CB 1.039 32.158 31.700 -0.968 0.000 1.489 253 G N 2.577 111.263 108.800 -0.191 0.000 2.575 253 G HA2 -0.198 3.780 3.960 0.030 0.000 0.215 253 G HA3 -0.198 3.780 3.960 0.030 0.000 0.215 253 G C 1.281 175.921 174.900 -0.433 0.000 1.262 253 G CA 1.316 46.311 45.100 -0.175 0.000 0.807 253 G HN 0.401 nan 8.290 nan 0.000 0.567 254 I N -3.300 117.058 120.570 -0.352 0.000 4.288 254 I HA 0.442 4.630 4.170 0.030 0.000 0.331 254 I C 0.701 176.731 176.117 -0.145 0.000 1.322 254 I CA -0.191 60.900 61.300 -0.348 0.000 1.149 254 I CB 0.531 38.282 38.000 -0.414 0.000 1.112 254 I HN 0.084 nan 8.210 nan 0.000 0.403 255 Q N 0.755 120.537 119.800 -0.030 0.000 2.633 255 Q HA 0.684 5.042 4.340 0.030 0.000 0.292 255 Q C -0.032 176.128 176.000 0.268 0.000 1.089 255 Q CA -0.479 55.368 55.803 0.073 0.000 0.811 255 Q CB 2.209 30.905 28.738 -0.070 0.000 1.472 255 Q HN 0.258 nan 8.270 nan 0.000 0.464 256 G N -0.582 108.400 108.800 0.303 0.000 3.414 256 G HA2 0.482 4.460 3.960 0.030 0.000 0.196 256 G HA3 0.482 4.460 3.960 0.030 0.000 0.196 256 G C -0.333 174.677 174.900 0.184 0.000 1.486 256 G CA -0.119 45.212 45.100 0.386 0.000 0.811 256 G HN 0.574 nan 8.290 nan 0.000 0.704 257 G N 1.628 110.572 108.800 0.241 0.000 2.398 257 G HA2 0.501 4.479 3.960 0.030 0.000 0.246 257 G HA3 0.501 4.479 3.960 0.030 0.000 0.246 257 G C -2.171 172.742 174.900 0.021 0.000 1.289 257 G CA -0.366 44.777 45.100 0.071 0.000 0.869 257 G HN 0.383 nan 8.290 nan 0.000 0.543 258 P HA 0.217 nan 4.420 nan 0.000 0.276 258 P C -0.156 177.146 177.300 0.004 0.000 1.252 258 P CA -0.555 62.550 63.100 0.009 0.000 0.802 258 P CB 1.274 32.919 31.700 -0.091 0.000 1.035 259 L N 2.415 123.658 121.223 0.034 0.000 2.375 259 L HA 0.144 4.503 4.340 0.030 0.000 0.276 259 L C 1.768 178.565 176.870 -0.120 0.000 1.162 259 L CA -0.503 54.291 54.840 -0.076 0.000 0.991 259 L CB -0.065 41.857 42.059 -0.229 0.000 1.315 259 L HN 0.235 nan 8.230 nan 0.000 0.431 260 M N 0.748 120.359 119.600 0.018 0.000 2.159 260 M HA -0.168 4.330 4.480 0.030 0.000 0.263 260 M C 2.199 178.513 176.300 0.022 0.000 1.063 260 M CA 1.802 57.107 55.300 0.008 0.000 1.110 260 M CB -1.171 31.434 32.600 0.008 0.000 1.374 260 M HN 0.679 nan 8.290 nan 0.000 0.411 261 H N -1.504 117.524 119.070 -0.070 0.000 2.387 261 H HA -0.001 4.561 4.556 0.010 0.000 0.299 261 H C 1.913 177.204 175.328 -0.062 0.000 1.090 261 H CA 1.233 57.243 56.048 -0.063 0.000 1.332 261 H CB -0.848 28.875 29.762 -0.065 0.000 1.386 261 H HN 0.148 nan 8.280 nan 0.000 0.516 262 V N 1.145 120.728 119.914 -0.551 0.000 2.453 262 V HA -0.169 3.970 4.120 0.030 0.000 0.247 262 V C 2.503 178.472 176.094 -0.208 0.000 1.048 262 V CA 1.537 63.626 62.300 -0.352 0.000 1.049 262 V CB -0.459 31.141 31.823 -0.372 0.000 0.672 262 V HN 0.413 nan 8.190 nan 0.000 0.457 263 I N 0.699 121.168 120.570 -0.168 0.000 2.286 263 I HA -0.230 3.958 4.170 0.030 0.000 0.248 263 I C 2.679 178.718 176.117 -0.131 0.000 1.115 263 I CA 1.389 62.617 61.300 -0.120 0.000 1.392 263 I CB -0.530 37.432 38.000 -0.064 0.000 1.065 263 I HN 0.287 nan 8.210 nan 0.000 0.418 264 A N 0.787 123.550 122.820 -0.095 0.000 1.908 264 A HA -0.211 4.127 4.320 0.030 0.000 0.218 264 A C 2.534 180.043 177.584 -0.125 0.000 1.181 264 A CA 1.990 53.979 52.037 -0.080 0.000 0.627 264 A CB -0.847 18.133 19.000 -0.033 0.000 0.818 264 A HN 0.437 nan 8.150 nan 0.000 0.445 265 A N -0.433 122.306 122.820 -0.135 0.000 1.969 265 A HA -0.127 4.211 4.320 0.030 0.000 0.218 265 A C 2.082 179.510 177.584 -0.261 0.000 1.169 265 A CA 1.745 53.691 52.037 -0.152 0.000 0.635 265 A CB -0.378 18.552 19.000 -0.117 0.000 0.810 265 A HN 0.566 nan 8.150 nan 0.000 0.445 266 K N -0.188 119.996 120.400 -0.359 0.000 2.026 266 K HA -0.062 4.276 4.320 0.030 0.000 0.208 266 K C 2.340 178.292 176.600 -1.080 0.000 1.048 266 K CA 1.133 56.978 56.287 -0.735 0.000 0.929 266 K CB -0.351 31.758 32.500 -0.651 0.000 0.713 266 K HN 0.428 nan 8.250 nan 0.000 0.439 267 A N 1.108 123.594 122.820 -0.556 0.000 1.883 267 A HA -0.159 4.179 4.320 0.030 0.000 0.217 267 A C 2.397 179.850 177.584 -0.219 0.000 1.186 267 A CA 1.674 53.528 52.037 -0.306 0.000 0.624 267 A CB -0.825 18.108 19.000 -0.112 0.000 0.822 267 A HN 0.080 nan 8.150 nan 0.000 0.444 268 V N -0.173 119.625 119.914 -0.195 0.000 2.287 268 V HA -0.278 3.860 4.120 0.030 0.000 0.248 268 V C 3.064 179.088 176.094 -0.117 0.000 1.053 268 V CA 2.096 64.325 62.300 -0.117 0.000 1.027 268 V CB -1.300 30.468 31.823 -0.092 0.000 0.646 268 V HN 0.635 nan 8.190 nan 0.000 0.447 269 A N -0.615 122.092 122.820 -0.189 0.000 1.933 269 A HA -0.163 4.175 4.320 0.030 0.000 0.218 269 A C 2.124 179.692 177.584 -0.026 0.000 1.175 269 A CA 1.753 53.715 52.037 -0.124 0.000 0.628 269 A CB -0.719 18.195 19.000 -0.145 0.000 0.814 269 A HN 0.561 nan 8.150 nan 0.000 0.444 270 F N -0.094 119.792 119.950 -0.106 0.000 2.186 270 F HA -0.070 4.482 4.527 0.042 0.000 0.299 270 F C 2.705 178.416 175.800 -0.149 0.000 1.090 270 F CA 0.242 58.160 58.000 -0.137 0.000 1.307 270 F CB -0.508 38.447 39.000 -0.076 0.000 1.019 270 F HN 0.364 nan 8.300 nan 0.000 0.489 271 G N 0.322 109.159 108.800 0.063 0.000 2.418 271 G HA2 -0.229 3.750 3.960 0.030 0.000 0.217 271 G HA3 -0.229 3.750 3.960 0.030 0.000 0.217 271 G C 1.365 176.251 174.900 -0.022 0.000 1.158 271 G CA 0.785 45.892 45.100 0.011 0.000 0.771 271 G HN 0.337 nan 8.290 nan 0.000 0.545 272 E N 0.517 120.692 120.200 -0.041 0.000 2.110 272 E HA -0.039 4.329 4.350 0.030 0.000 0.193 272 E C 2.845 179.377 176.600 -0.114 0.000 0.988 272 E CA 0.806 57.183 56.400 -0.039 0.000 0.804 272 E CB -0.176 29.511 29.700 -0.021 0.000 0.745 272 E HN 0.425 nan 8.360 nan 0.000 0.458 273 A N 0.813 123.423 122.820 -0.349 0.000 2.067 273 A HA -0.074 4.264 4.320 0.030 0.000 0.219 273 A C 2.051 179.464 177.584 -0.285 0.000 1.158 273 A CA 0.705 52.282 52.037 -0.768 0.000 0.661 273 A CB -0.342 18.084 19.000 -0.956 0.000 0.801 273 A HN 0.139 nan 8.150 nan 0.000 0.452 274 L N -0.568 120.569 121.223 -0.144 0.000 2.395 274 L HA -0.055 4.303 4.340 0.030 0.000 0.218 274 L C 0.927 177.798 176.870 0.003 0.000 1.130 274 L CA 0.183 54.982 54.840 -0.069 0.000 0.826 274 L CB -0.256 41.771 42.059 -0.054 0.000 0.941 274 L HN 0.483 nan 8.230 nan 0.000 0.451 275 Q N -0.237 119.587 119.800 0.039 0.000 2.354 275 Q HA -0.013 4.345 4.340 0.030 0.000 0.244 275 Q C 0.463 176.535 176.000 0.120 0.000 0.969 275 Q CA -0.537 55.310 55.803 0.073 0.000 0.885 275 Q CB 0.982 29.767 28.738 0.079 0.000 1.241 275 Q HN 0.015 nan 8.270 nan 0.000 0.461 276 D N 1.320 121.775 120.400 0.091 0.000 2.182 276 D HA -0.176 4.482 4.640 0.030 0.000 0.201 276 D C 1.220 177.589 176.300 0.115 0.000 0.986 276 D CA 1.415 55.470 54.000 0.092 0.000 0.847 276 D CB -0.070 40.767 40.800 0.062 0.000 0.942 276 D HN 0.636 nan 8.370 nan 0.000 0.467 277 D N -0.152 120.321 120.400 0.122 0.000 2.224 277 D HA -0.177 4.481 4.640 0.030 0.000 0.205 277 D C 1.946 178.351 176.300 0.175 0.000 0.965 277 D CA 0.256 54.330 54.000 0.123 0.000 0.852 277 D CB -0.986 39.873 40.800 0.099 0.000 0.947 277 D HN 0.250 nan 8.370 nan 0.000 0.494 278 F N 1.682 121.689 119.950 0.096 0.000 2.186 278 F HA -0.028 4.517 4.527 0.029 0.000 0.299 278 F C 2.031 177.936 175.800 0.174 0.000 1.090 278 F CA 1.267 59.360 58.000 0.156 0.000 1.307 278 F CB 0.065 39.129 39.000 0.106 0.000 1.019 278 F HN -0.186 nan 8.300 nan 0.000 0.489 279 K N 0.259 120.781 120.400 0.204 0.000 2.057 279 K HA -0.127 4.211 4.320 0.030 0.000 0.207 279 K C 2.313 178.907 176.600 -0.009 0.000 1.049 279 K CA 1.216 57.555 56.287 0.086 0.000 0.931 279 K CB -0.660 31.905 32.500 0.109 0.000 0.714 279 K HN 0.342 nan 8.250 nan 0.000 0.440 280 A N 1.403 124.238 122.820 0.025 0.000 1.902 280 A HA -0.216 4.122 4.320 0.030 0.000 0.217 280 A C 2.140 179.713 177.584 -0.018 0.000 1.181 280 A CA 1.427 53.472 52.037 0.012 0.000 0.623 280 A CB -0.836 18.191 19.000 0.045 0.000 0.818 280 A HN 0.441 nan 8.150 nan 0.000 0.443 281 Y N 0.895 121.107 120.300 -0.146 0.000 2.081 281 Y HA -0.189 4.382 4.550 0.035 0.000 0.280 281 Y C 2.603 178.351 175.900 -0.253 0.000 1.163 281 Y CA 1.603 59.582 58.100 -0.201 0.000 1.135 281 Y CB -0.879 37.406 38.460 -0.293 0.000 0.970 281 Y HN 0.290 nan 8.280 nan 0.000 0.498 282 A N 0.537 122.948 122.820 -0.682 0.000 1.908 282 A HA -0.260 4.078 4.320 0.030 0.000 0.218 282 A C 2.363 179.730 177.584 -0.362 0.000 1.181 282 A CA 2.103 53.741 52.037 -0.665 0.000 0.627 282 A CB -0.909 17.840 19.000 -0.419 0.000 0.818 282 A HN 0.600 nan 8.150 nan 0.000 0.445 283 K N -0.423 119.849 120.400 -0.214 0.000 2.057 283 K HA -0.153 4.185 4.320 0.030 0.000 0.207 283 K C 2.243 178.772 176.600 -0.119 0.000 1.049 283 K CA 1.437 57.655 56.287 -0.115 0.000 0.931 283 K CB -0.179 32.287 32.500 -0.057 0.000 0.714 283 K HN 0.456 nan 8.250 nan 0.000 0.440 284 R N 0.134 120.547 120.500 -0.144 0.000 2.120 284 R HA -0.085 4.274 4.340 0.030 0.000 0.234 284 R C 2.259 178.479 176.300 -0.134 0.000 1.123 284 R CA 1.212 57.253 56.100 -0.099 0.000 0.975 284 R CB -0.285 29.990 30.300 -0.042 0.000 0.866 284 R HN 0.074 nan 8.270 nan 0.000 0.446 285 V N 0.531 120.278 119.914 -0.280 0.000 2.261 285 V HA -0.228 3.911 4.120 0.030 0.000 0.246 285 V C 2.345 178.387 176.094 -0.087 0.000 1.047 285 V CA 1.714 63.877 62.300 -0.228 0.000 1.015 285 V CB -0.327 31.261 31.823 -0.392 0.000 0.642 285 V HN 0.114 nan 8.190 nan 0.000 0.446 286 V N -0.001 119.865 119.914 -0.080 0.000 2.358 286 V HA -0.221 3.917 4.120 0.030 0.000 0.246 286 V C 2.279 178.364 176.094 -0.015 0.000 1.047 286 V CA 2.067 64.356 62.300 -0.019 0.000 1.035 286 V CB -0.697 31.122 31.823 -0.007 0.000 0.658 286 V HN 0.539 nan 8.190 nan 0.000 0.452 287 D N 0.349 120.734 120.400 -0.025 0.000 2.104 287 D HA -0.148 4.510 4.640 0.030 0.000 0.194 287 D C 2.072 178.372 176.300 0.000 0.000 0.994 287 D CA 1.235 55.228 54.000 -0.011 0.000 0.830 287 D CB -0.408 40.385 40.800 -0.012 0.000 0.959 287 D HN 0.338 nan 8.370 nan 0.000 0.452 288 N N 0.422 119.123 118.700 0.002 0.000 2.166 288 N HA -0.081 4.678 4.740 0.030 0.000 0.186 288 N C 1.656 177.179 175.510 0.021 0.000 1.019 288 N CA 1.187 54.251 53.050 0.023 0.000 0.856 288 N CB -0.336 38.175 38.487 0.040 0.000 0.993 288 N HN 0.133 nan 8.380 nan 0.000 0.426 289 A N 0.857 123.683 122.820 0.010 0.000 1.898 289 A HA -0.103 4.235 4.320 0.030 0.000 0.216 289 A C 2.208 179.792 177.584 -0.001 0.000 1.181 289 A CA 1.431 53.470 52.037 0.003 0.000 0.620 289 A CB -0.335 18.665 19.000 -0.001 0.000 0.819 289 A HN 0.124 nan 8.150 nan 0.000 0.442 290 K N -0.555 119.846 120.400 0.001 0.000 2.057 290 K HA -0.122 4.216 4.320 0.030 0.000 0.207 290 K C 2.250 178.855 176.600 0.008 0.000 1.049 290 K CA 1.638 57.926 56.287 0.001 0.000 0.931 290 K CB -0.188 32.312 32.500 0.001 0.000 0.714 290 K HN 0.365 nan 8.250 nan 0.000 0.440 291 R N 0.635 121.142 120.500 0.012 0.000 2.073 291 R HA -0.068 4.290 4.340 0.030 0.000 0.234 291 R C 1.979 178.293 176.300 0.023 0.000 1.134 291 R CA 1.250 57.361 56.100 0.018 0.000 0.952 291 R CB -0.920 29.392 30.300 0.021 0.000 0.850 291 R HN 0.173 nan 8.270 nan 0.000 0.433 292 L N 0.412 121.649 121.223 0.024 0.000 2.042 292 L HA -0.045 4.313 4.340 0.030 0.000 0.210 292 L C 2.109 178.991 176.870 0.021 0.000 1.076 292 L CA 2.288 57.144 54.840 0.025 0.000 0.749 292 L CB -1.146 40.926 42.059 0.022 0.000 0.893 292 L HN 0.306 nan 8.230 nan 0.000 0.432 293 A N -1.652 121.175 122.820 0.012 0.000 1.865 293 A HA -0.264 4.075 4.320 0.030 0.000 0.217 293 A C 2.535 180.139 177.584 0.033 0.000 1.191 293 A CA 2.196 54.240 52.037 0.013 0.000 0.623 293 A CB -1.333 17.667 19.000 0.001 0.000 0.826 293 A HN 0.530 nan 8.150 nan 0.000 0.444 294 S N -0.493 115.224 115.700 0.028 0.000 2.359 294 S HA -0.096 4.393 4.470 0.030 0.000 0.224 294 S C 2.179 176.806 174.600 0.045 0.000 1.035 294 S CA 1.772 59.991 58.200 0.032 0.000 1.018 294 S CB -0.533 62.680 63.200 0.022 0.000 0.876 294 S HN 0.874 nan 8.310 nan 0.000 0.448 295 A N 1.042 123.890 122.820 0.047 0.000 1.933 295 A HA 0.058 4.396 4.320 0.030 0.000 0.218 295 A C 2.207 179.851 177.584 0.100 0.000 1.175 295 A CA 1.380 53.452 52.037 0.059 0.000 0.628 295 A CB -0.707 18.323 19.000 0.050 0.000 0.814 295 A HN 0.580 nan 8.150 nan 0.000 0.444 296 L N -1.048 120.247 121.223 0.120 0.000 2.093 296 L HA -0.221 4.137 4.340 0.030 0.000 0.208 296 L C 2.845 179.881 176.870 0.277 0.000 1.085 296 L CA 1.387 56.372 54.840 0.241 0.000 0.755 296 L CB -0.490 41.649 42.059 0.134 0.000 0.904 296 L HN 0.461 nan 8.230 nan 0.000 0.435 297 Q N -0.408 119.482 119.800 0.151 0.000 2.124 297 Q HA -0.229 4.129 4.340 0.030 0.000 0.202 297 Q C 2.032 178.067 176.000 0.058 0.000 0.977 297 Q CA 1.478 57.343 55.803 0.103 0.000 0.850 297 Q CB -0.271 28.507 28.738 0.065 0.000 0.901 297 Q HN 0.493 nan 8.270 nan 0.000 0.429 298 N N 0.462 119.195 118.700 0.055 0.000 2.223 298 N HA -0.178 4.581 4.740 0.030 0.000 0.185 298 N C 1.097 176.610 175.510 0.005 0.000 1.016 298 N CA 0.829 53.895 53.050 0.026 0.000 0.863 298 N CB 0.240 38.745 38.487 0.030 0.000 0.983 298 N HN 0.214 nan 8.380 nan 0.000 0.429 299 E N -0.305 119.909 120.200 0.023 0.000 2.482 299 E HA 0.004 4.372 4.350 0.030 0.000 0.196 299 E C 1.085 177.518 176.600 -0.278 0.000 1.047 299 E CA 0.656 57.014 56.400 -0.070 0.000 0.869 299 E CB -0.008 29.724 29.700 0.055 0.000 0.836 299 E HN 0.592 nan 8.360 nan 0.000 0.520 300 G N 0.768 109.442 108.800 -0.211 0.000 2.163 300 G HA2 -0.225 3.753 3.960 0.030 0.000 0.213 300 G HA3 -0.225 3.753 3.960 0.030 0.000 0.213 300 G C -0.047 174.688 174.900 -0.276 0.000 0.991 300 G CA -0.356 44.595 45.100 -0.248 0.000 0.653 300 G HN 0.124 nan 8.290 nan 0.000 0.518 301 F N 1.621 121.575 119.950 0.007 0.000 2.389 301 F HA 0.598 5.144 4.527 0.032 0.000 0.337 301 F C 1.153 176.958 175.800 0.009 0.000 1.112 301 F CA 0.006 58.011 58.000 0.007 0.000 1.192 301 F CB 1.295 40.298 39.000 0.006 0.000 1.185 301 F HN -0.086 nan 8.300 nan 0.000 0.552 302 T N 4.360 119.048 114.554 0.223 0.000 2.799 302 T HA 0.538 4.907 4.350 0.030 0.000 0.286 302 T C -0.233 174.538 174.700 0.119 0.000 0.973 302 T CA -0.517 61.663 62.100 0.134 0.000 1.035 302 T CB 0.383 69.313 68.868 0.103 0.000 0.932 302 T HN 0.269 nan 8.240 nan 0.000 0.469 303 L N 3.240 124.518 121.223 0.092 0.000 2.317 303 L HA 0.491 4.849 4.340 0.030 0.000 0.281 303 L C 0.111 177.026 176.870 0.074 0.000 1.024 303 L CA -1.269 53.605 54.840 0.057 0.000 0.810 303 L CB 1.631 43.715 42.059 0.040 0.000 1.240 303 L HN 0.329 nan 8.230 nan 0.000 0.427 304 V N 2.941 122.872 119.914 0.028 0.000 2.599 304 V HA -0.062 4.076 4.120 0.030 0.000 0.300 304 V C 1.137 177.321 176.094 0.151 0.000 1.034 304 V CA 1.243 63.568 62.300 0.041 0.000 1.115 304 V CB 0.941 32.674 31.823 -0.150 0.000 0.934 304 V HN 1.179 nan 8.190 nan 0.000 0.485 305 S N 2.376 118.315 115.700 0.399 0.000 2.929 305 S HA -0.210 4.278 4.470 0.030 0.000 0.271 305 S C 1.331 175.975 174.600 0.073 0.000 1.295 305 S CA 1.147 59.459 58.200 0.188 0.000 1.277 305 S CB -1.942 61.302 63.200 0.074 0.000 1.557 305 S HN 2.830 nan 8.310 nan 0.000 0.666 306 G N -0.407 108.442 108.800 0.081 0.000 2.143 306 G HA2 0.328 4.307 3.960 0.030 0.000 0.249 306 G HA3 0.328 4.307 3.960 0.030 0.000 0.249 306 G C 0.963 175.875 174.900 0.020 0.000 0.981 306 G CA 0.599 45.723 45.100 0.040 0.000 0.665 306 G HN 2.650 nan 8.290 nan 0.000 0.528 307 G N -2.654 106.151 108.800 0.008 0.000 2.403 307 G HA2 0.661 4.640 3.960 0.030 0.000 0.223 307 G HA3 0.661 4.640 3.960 0.030 0.000 0.223 307 G C -0.507 174.371 174.900 -0.037 0.000 1.287 307 G CA 0.999 46.094 45.100 -0.009 0.000 0.982 307 G HN 2.002 nan 8.290 nan 0.000 0.471 308 T N -1.126 113.403 114.554 -0.042 0.000 2.885 308 T HA 0.559 4.928 4.350 0.030 0.000 0.322 308 T C -1.332 173.343 174.700 -0.043 0.000 1.387 308 T CA 0.199 62.260 62.100 -0.064 0.000 1.041 308 T CB 1.846 70.675 68.868 -0.066 0.000 1.287 308 T HN 0.332 nan 8.240 nan 0.000 0.491 309 D N 1.781 122.156 120.400 -0.043 0.000 2.433 309 D HA 0.208 4.866 4.640 0.030 0.000 0.211 309 D C 0.598 176.926 176.300 0.046 0.000 1.114 309 D CA 0.154 54.149 54.000 -0.009 0.000 0.837 309 D CB 0.538 41.325 40.800 -0.021 0.000 0.984 309 D HN 0.657 nan 8.370 nan 0.000 0.505 310 N N -0.706 118.027 118.700 0.054 0.000 3.614 310 N HA -0.022 4.736 4.740 0.030 0.000 0.341 310 N C 0.935 176.524 175.510 0.132 0.000 1.567 310 N CA -0.327 52.816 53.050 0.156 0.000 0.641 310 N CB -0.188 38.472 38.487 0.288 0.000 2.734 310 N HN -0.154 nan 8.380 nan 0.000 0.604 311 H N -0.900 118.188 119.070 0.030 0.000 2.553 311 H HA 0.343 4.917 4.556 0.031 0.000 0.265 311 H C 0.075 175.413 175.328 0.016 0.000 0.964 311 H CA -0.124 55.931 56.048 0.012 0.000 1.156 311 H CB -0.360 29.418 29.762 0.027 0.000 1.411 311 H HN 0.516 nan 8.280 nan 0.000 0.558 312 L N 0.093 121.009 121.223 -0.512 0.000 2.333 312 L HA 0.684 5.043 4.340 0.030 0.000 0.263 312 L C -1.190 175.543 176.870 -0.228 0.000 1.014 312 L CA -1.584 53.002 54.840 -0.423 0.000 0.820 312 L CB 2.284 43.965 42.059 -0.631 0.000 1.352 312 L HN 0.034 nan 8.230 nan 0.000 0.421 313 L N 0.083 121.207 121.223 -0.165 0.000 2.415 313 L HA 0.806 5.165 4.340 0.030 0.000 0.256 313 L C -1.646 175.160 176.870 -0.107 0.000 1.010 313 L CA -0.798 53.972 54.840 -0.117 0.000 0.826 313 L CB 2.016 44.025 42.059 -0.083 0.000 1.405 313 L HN 0.664 nan 8.230 nan 0.000 0.410 314 L N 2.106 123.275 121.223 -0.090 0.000 2.349 314 L HA 0.681 5.039 4.340 0.030 0.000 0.278 314 L C -0.892 175.935 176.870 -0.071 0.000 0.996 314 L CA -0.975 53.813 54.840 -0.085 0.000 0.825 314 L CB 2.203 44.211 42.059 -0.086 0.000 1.243 314 L HN 0.502 nan 8.230 nan 0.000 0.412 315 V N 1.684 121.547 119.914 -0.083 0.000 2.432 315 V HA 0.154 4.293 4.120 0.030 0.000 0.275 315 V C -0.155 175.920 176.094 -0.032 0.000 1.043 315 V CA -0.485 61.774 62.300 -0.067 0.000 0.925 315 V CB 1.632 33.357 31.823 -0.163 0.000 0.985 315 V HN 0.620 nan 8.190 nan 0.000 0.466 316 D N 4.492 124.898 120.400 0.010 0.000 2.380 316 D HA 0.236 4.895 4.640 0.030 0.000 0.230 316 D C 0.590 176.930 176.300 0.066 0.000 1.154 316 D CA -0.117 53.894 54.000 0.019 0.000 0.859 316 D CB 1.127 41.942 40.800 0.025 0.000 1.045 316 D HN 0.445 nan 8.370 nan 0.000 0.495 317 L N 3.550 124.807 121.223 0.058 0.000 2.591 317 L HA 0.176 4.535 4.340 0.030 0.000 0.228 317 L C 2.319 179.237 176.870 0.079 0.000 1.133 317 L CA -0.124 54.773 54.840 0.095 0.000 0.880 317 L CB -0.056 42.044 42.059 0.068 0.000 1.033 317 L HN 0.287 nan 8.230 nan 0.000 0.450 318 R N 0.671 121.207 120.500 0.059 0.000 2.096 318 R HA -0.183 4.175 4.340 0.030 0.000 0.240 318 R C -0.331 175.997 176.300 0.047 0.000 1.139 318 R CA 1.673 57.802 56.100 0.049 0.000 0.952 318 R CB -1.511 28.815 30.300 0.043 0.000 0.854 318 R HN 0.293 nan 8.270 nan 0.000 0.436 319 P HA -0.156 nan 4.420 nan 0.000 0.217 319 P C 0.571 177.887 177.300 0.027 0.000 1.148 319 P CA 1.343 64.464 63.100 0.035 0.000 0.828 319 P CB 0.112 31.833 31.700 0.035 0.000 0.783 320 Q N -1.147 118.683 119.800 0.050 0.000 2.360 320 Q HA 0.096 4.454 4.340 0.030 0.000 0.202 320 Q C 0.234 176.261 176.000 0.044 0.000 0.915 320 Q CA 0.160 55.990 55.803 0.046 0.000 0.943 320 Q CB -0.485 28.308 28.738 0.092 0.000 1.064 320 Q HN 0.165 nan 8.270 nan 0.000 0.511 321 Q N -0.449 119.376 119.800 0.041 0.000 2.475 321 Q HA -0.218 4.140 4.340 0.030 0.000 0.280 321 Q C -0.824 175.200 176.000 0.039 0.000 1.234 321 Q CA 0.749 56.573 55.803 0.035 0.000 0.873 321 Q CB -2.222 26.531 28.738 0.025 0.000 1.256 321 Q HN 0.400 nan 8.270 nan 0.000 0.475 322 L N -0.040 121.212 121.223 0.049 0.000 2.341 322 L HA 0.554 4.912 4.340 0.030 0.000 0.267 322 L C 0.941 177.835 176.870 0.039 0.000 1.009 322 L CA -0.715 54.153 54.840 0.047 0.000 0.819 322 L CB 1.901 43.996 42.059 0.061 0.000 1.323 322 L HN 0.095 nan 8.230 nan 0.000 0.425 323 T N -2.135 112.438 114.554 0.032 0.000 2.902 323 T HA 0.300 4.668 4.350 0.030 0.000 0.280 323 T C 1.179 175.891 174.700 0.020 0.000 0.992 323 T CA -0.095 62.021 62.100 0.026 0.000 1.015 323 T CB 1.674 70.559 68.868 0.028 0.000 1.044 323 T HN 0.696 nan 8.240 nan 0.000 0.520 324 G N 0.111 108.917 108.800 0.010 0.000 2.422 324 G HA2 -0.190 3.788 3.960 0.030 0.000 0.218 324 G HA3 -0.190 3.788 3.960 0.030 0.000 0.218 324 G C 1.355 176.257 174.900 0.005 0.000 1.146 324 G CA 0.862 45.960 45.100 -0.002 0.000 0.769 324 G HN 0.853 nan 8.290 nan 0.000 0.547 325 K N -0.136 120.273 120.400 0.015 0.000 2.026 325 K HA -0.109 4.230 4.320 0.030 0.000 0.208 325 K C 2.538 179.150 176.600 0.021 0.000 1.048 325 K CA 1.776 58.077 56.287 0.023 0.000 0.929 325 K CB -0.356 32.166 32.500 0.036 0.000 0.713 325 K HN 0.253 nan 8.250 nan 0.000 0.439 326 T N 0.737 115.304 114.554 0.023 0.000 2.708 326 T HA -0.129 4.239 4.350 0.030 0.000 0.266 326 T C 1.864 176.576 174.700 0.021 0.000 1.037 326 T CA 1.427 63.541 62.100 0.024 0.000 1.146 326 T CB -0.347 68.538 68.868 0.027 0.000 0.865 326 T HN 0.444 nan 8.240 nan 0.000 0.435 327 A N 1.346 124.177 122.820 0.018 0.000 1.902 327 A HA -0.165 4.173 4.320 0.030 0.000 0.217 327 A C 2.216 179.801 177.584 0.002 0.000 1.181 327 A CA 2.054 54.098 52.037 0.012 0.000 0.623 327 A CB -0.698 18.301 19.000 -0.001 0.000 0.818 327 A HN 0.656 nan 8.150 nan 0.000 0.443 328 E N -0.065 120.134 120.200 -0.000 0.000 2.085 328 E HA -0.276 4.093 4.350 0.030 0.000 0.194 328 E C 2.096 178.701 176.600 0.008 0.000 0.994 328 E CA 1.660 58.060 56.400 -0.000 0.000 0.801 328 E CB -0.179 29.522 29.700 0.001 0.000 0.743 328 E HN 0.633 nan 8.360 nan 0.000 0.453 329 K N 0.269 120.677 120.400 0.013 0.000 2.026 329 K HA -0.121 4.217 4.320 0.030 0.000 0.208 329 K C 2.158 178.768 176.600 0.016 0.000 1.048 329 K CA 1.340 57.636 56.287 0.016 0.000 0.929 329 K CB -0.158 32.353 32.500 0.018 0.000 0.713 329 K HN 0.150 nan 8.250 nan 0.000 0.439 330 V N 1.335 121.260 119.914 0.018 0.000 2.548 330 V HA -0.139 3.999 4.120 0.030 0.000 0.249 330 V C 1.997 178.102 176.094 0.019 0.000 1.055 330 V CA 1.234 63.547 62.300 0.021 0.000 1.065 330 V CB -0.146 31.692 31.823 0.025 0.000 0.681 330 V HN 0.322 nan 8.190 nan 0.000 0.462 331 L N 0.170 121.402 121.223 0.015 0.000 2.093 331 L HA -0.149 4.209 4.340 0.030 0.000 0.208 331 L C 2.331 179.210 176.870 0.015 0.000 1.085 331 L CA 2.120 56.968 54.840 0.012 0.000 0.755 331 L CB -0.663 41.396 42.059 0.001 0.000 0.904 331 L HN 0.452 nan 8.230 nan 0.000 0.435 332 D N 0.252 120.660 120.400 0.014 0.000 2.149 332 D HA -0.228 4.431 4.640 0.030 0.000 0.198 332 D C 1.964 178.274 176.300 0.017 0.000 0.990 332 D CA 1.185 55.194 54.000 0.016 0.000 0.839 332 D CB 0.131 40.940 40.800 0.015 0.000 0.948 332 D HN 0.316 nan 8.370 nan 0.000 0.460 333 E N -0.519 119.691 120.200 0.018 0.000 2.204 333 E HA -0.122 4.247 4.350 0.030 0.000 0.195 333 E C 1.999 178.611 176.600 0.019 0.000 0.990 333 E CA 1.153 57.564 56.400 0.018 0.000 0.821 333 E CB 0.156 29.866 29.700 0.018 0.000 0.750 333 E HN 0.459 nan 8.360 nan 0.000 0.477 334 V N -3.773 116.154 119.914 0.021 0.000 3.621 334 V HA 0.451 4.590 4.120 0.030 0.000 0.285 334 V C 1.121 177.229 176.094 0.024 0.000 1.346 334 V CA 0.455 62.768 62.300 0.023 0.000 1.104 334 V CB 0.325 32.163 31.823 0.025 0.000 0.913 334 V HN 0.233 nan 8.190 nan 0.000 0.432 335 G N 0.838 109.652 108.800 0.023 0.000 2.144 335 G HA2 -0.170 3.808 3.960 0.030 0.000 0.218 335 G HA3 -0.170 3.808 3.960 0.030 0.000 0.218 335 G C -0.207 174.710 174.900 0.029 0.000 0.988 335 G CA 0.106 45.221 45.100 0.025 0.000 0.659 335 G HN 0.579 nan 8.290 nan 0.000 0.522 336 I N 2.089 122.675 120.570 0.026 0.000 2.362 336 I HA 0.356 4.544 4.170 0.030 0.000 0.289 336 I C 0.011 176.138 176.117 0.017 0.000 0.994 336 I CA -0.601 60.715 61.300 0.026 0.000 1.158 336 I CB 1.839 39.853 38.000 0.024 0.000 1.315 336 I HN 0.015 nan 8.210 nan 0.000 0.451 337 T N 6.495 121.060 114.554 0.018 0.000 2.733 337 T HA 0.498 4.866 4.350 0.030 0.000 0.294 337 T C 0.037 174.739 174.700 0.004 0.000 0.956 337 T CA -0.528 61.580 62.100 0.014 0.000 0.987 337 T CB 0.999 69.879 68.868 0.021 0.000 0.920 337 T HN 0.451 nan 8.240 nan 0.000 0.470 338 V N 1.448 121.360 119.914 -0.003 0.000 3.156 338 V HA 0.755 4.894 4.120 0.030 0.000 0.311 338 V C -1.036 175.052 176.094 -0.009 0.000 1.208 338 V CA -1.439 60.853 62.300 -0.013 0.000 1.063 338 V CB 2.192 33.997 31.823 -0.031 0.000 1.098 338 V HN 0.705 nan 8.190 nan 0.000 0.452 339 N N 0.560 119.252 118.700 -0.015 0.000 2.269 339 N HA 0.504 5.262 4.740 0.030 0.000 0.304 339 N C -1.116 174.378 175.510 -0.026 0.000 1.072 339 N CA -1.025 52.017 53.050 -0.014 0.000 0.802 339 N CB 1.887 40.368 38.487 -0.010 0.000 1.348 339 N HN 0.892 nan 8.380 nan 0.000 0.484 340 K N 0.401 120.787 120.400 -0.023 0.000 2.319 340 K HA 0.258 4.597 4.320 0.030 0.000 0.265 340 K C -0.845 175.728 176.600 -0.045 0.000 1.000 340 K CA -0.237 56.032 56.287 -0.030 0.000 0.943 340 K CB 0.523 33.011 32.500 -0.019 0.000 0.950 340 K HN 0.542 nan 8.250 nan 0.000 0.485 341 N N 0.401 119.070 118.700 -0.052 0.000 2.452 341 N HA 0.062 4.821 4.740 0.030 0.000 0.277 341 N C -1.584 173.888 175.510 -0.064 0.000 1.078 341 N CA -0.516 52.496 53.050 -0.064 0.000 0.947 341 N CB 1.750 40.200 38.487 -0.061 0.000 1.655 341 N HN 0.807 nan 8.380 nan 0.000 0.490 342 T N 0.644 115.154 114.554 -0.073 0.000 2.855 342 T HA 0.367 4.735 4.350 0.030 0.000 0.314 342 T C 0.711 175.371 174.700 -0.066 0.000 1.077 342 T CA -0.362 61.700 62.100 -0.063 0.000 1.095 342 T CB 0.082 68.911 68.868 -0.065 0.000 0.987 342 T HN 0.435 nan 8.240 nan 0.000 0.546 343 I N -1.673 118.855 120.570 -0.071 0.000 2.863 343 I HA 0.672 4.860 4.170 0.030 0.000 0.311 343 I C -2.954 173.080 176.117 -0.138 0.000 1.026 343 I CA -3.790 57.440 61.300 -0.117 0.000 1.077 343 I CB 1.471 39.395 38.000 -0.125 0.000 1.262 343 I HN 0.326 nan 8.210 nan 0.000 0.461 344 P HA 0.046 nan 4.420 nan 0.000 0.265 344 P C -1.239 175.975 177.300 -0.143 0.000 1.193 344 P CA 0.695 63.541 63.100 -0.423 0.000 0.765 344 P CB -0.187 31.253 31.700 -0.433 0.000 0.823 345 Y N -0.815 119.428 120.300 -0.095 0.000 3.929 345 Y HA -0.265 4.304 4.550 0.031 0.000 0.225 345 Y C 0.826 176.733 175.900 0.011 0.000 1.200 345 Y CA 0.367 58.475 58.100 0.015 0.000 1.791 345 Y CB -2.331 36.133 38.460 0.008 0.000 1.561 345 Y HN 0.392 nan 8.280 nan 0.000 0.657 346 D N 2.023 122.456 120.400 0.055 0.000 2.458 346 D HA 0.022 4.680 4.640 0.030 0.000 0.243 346 D C -0.704 175.629 176.300 0.055 0.000 1.146 346 D CA -0.904 53.120 54.000 0.040 0.000 0.877 346 D CB 1.101 41.902 40.800 0.002 0.000 1.176 346 D HN 0.175 nan 8.370 nan 0.000 0.461 347 P HA -0.007 nan 4.420 nan 0.000 0.229 347 P C 0.003 177.329 177.300 0.043 0.000 1.160 347 P CA 0.570 63.701 63.100 0.053 0.000 0.777 347 P CB 0.653 32.382 31.700 0.049 0.000 0.814 348 E N 0.499 120.720 120.200 0.036 0.000 2.250 348 E HA 0.261 4.629 4.350 0.030 0.000 0.265 348 E C 0.442 177.065 176.600 0.038 0.000 1.033 348 E CA -0.443 55.980 56.400 0.038 0.000 0.888 348 E CB 1.325 31.045 29.700 0.034 0.000 1.151 348 E HN 0.070 nan 8.360 nan 0.000 0.412 349 S N 0.761 116.497 115.700 0.060 0.000 2.608 349 S HA 0.147 4.635 4.470 0.030 0.000 0.261 349 S C -1.710 172.916 174.600 0.042 0.000 1.314 349 S CA -0.978 57.271 58.200 0.081 0.000 0.992 349 S CB 0.741 64.038 63.200 0.163 0.000 0.935 349 S HN 0.233 nan 8.310 nan 0.000 0.564 350 P HA 0.018 nan 4.420 nan 0.000 0.228 350 P C 0.569 177.677 177.300 -0.321 0.000 1.151 350 P CA 0.982 63.954 63.100 -0.213 0.000 0.770 350 P CB -0.223 31.262 31.700 -0.359 0.000 0.786 351 F N -1.633 118.307 119.950 -0.017 0.000 2.754 351 F HA 0.029 4.575 4.527 0.030 0.000 0.297 351 F C 2.115 177.910 175.800 -0.009 0.000 1.122 351 F CA 0.408 58.400 58.000 -0.014 0.000 1.400 351 F CB -0.222 38.770 39.000 -0.013 0.000 1.117 351 F HN -0.265 nan 8.300 nan 0.000 0.587 352 V N -1.783 118.208 119.914 0.130 0.000 2.840 352 V HA 0.126 4.265 4.120 0.030 0.000 0.234 352 V C 0.676 176.791 176.094 0.035 0.000 1.159 352 V CA 0.924 63.272 62.300 0.079 0.000 1.194 352 V CB -0.117 31.750 31.823 0.073 0.000 0.971 352 V HN 0.399 nan 8.190 nan 0.000 0.494 353 T N -0.695 113.871 114.554 0.021 0.000 0.541 353 T HA -0.235 4.133 4.350 0.030 0.000 0.774 353 T C 0.157 174.860 174.700 0.005 0.000 0.992 353 T CA 0.384 62.483 62.100 -0.002 0.000 4.077 353 T CB -1.457 67.395 68.868 -0.026 0.000 2.303 353 T HN 0.387 nan 8.240 nan 0.000 0.398 354 S N 1.125 116.823 115.700 -0.002 0.000 2.601 354 S HA 0.612 5.100 4.470 0.030 0.000 0.244 354 S C 0.725 175.322 174.600 -0.005 0.000 1.001 354 S CA -0.073 58.130 58.200 0.005 0.000 0.984 354 S CB 0.583 63.791 63.200 0.012 0.000 0.842 354 S HN 1.244 nan 8.310 nan 0.000 0.474 355 G N 1.511 110.298 108.800 -0.020 0.000 2.682 355 G HA2 0.729 4.707 3.960 0.030 0.000 0.290 355 G HA3 0.729 4.707 3.960 0.030 0.000 0.290 355 G C -1.473 173.400 174.900 -0.044 0.000 1.425 355 G CA -0.874 44.205 45.100 -0.035 0.000 0.807 355 G HN 0.309 nan 8.290 nan 0.000 0.482 356 I N -2.061 118.471 120.570 -0.062 0.000 2.647 356 I HA 0.759 4.947 4.170 0.030 0.000 0.295 356 I C -0.532 175.539 176.117 -0.077 0.000 1.078 356 I CA -1.206 60.053 61.300 -0.067 0.000 1.048 356 I CB 2.571 40.524 38.000 -0.078 0.000 1.239 356 I HN 0.496 nan 8.210 nan 0.000 0.421 357 R N 5.566 126.027 120.500 -0.065 0.000 2.346 357 R HA 0.786 5.145 4.340 0.030 0.000 0.311 357 R C -1.637 174.626 176.300 -0.061 0.000 0.983 357 R CA -0.530 55.528 56.100 -0.069 0.000 0.880 357 R CB 1.458 31.722 30.300 -0.060 0.000 1.100 357 R HN 0.822 nan 8.270 nan 0.000 0.453 358 I N 2.463 122.989 120.570 -0.073 0.000 2.647 358 I HA 0.497 4.685 4.170 0.030 0.000 0.295 358 I C -0.091 175.990 176.117 -0.060 0.000 1.078 358 I CA -0.822 60.444 61.300 -0.057 0.000 1.048 358 I CB 2.536 40.495 38.000 -0.069 0.000 1.239 358 I HN 0.801 nan 8.210 nan 0.000 0.421 359 G N 1.094 109.881 108.800 -0.020 0.000 2.619 359 G HA2 0.492 4.470 3.960 0.030 0.000 0.296 359 G HA3 0.492 4.470 3.960 0.030 0.000 0.296 359 G C 0.023 174.944 174.900 0.034 0.000 1.334 359 G CA -0.276 44.824 45.100 0.001 0.000 0.934 359 G HN 0.585 nan 8.290 nan 0.000 0.476 360 T N -2.000 112.588 114.554 0.056 0.000 3.054 360 T HA 0.381 4.749 4.350 0.030 0.000 0.255 360 T C 2.103 176.835 174.700 0.054 0.000 1.035 360 T CA 1.162 63.291 62.100 0.049 0.000 0.941 360 T CB 0.699 69.592 68.868 0.042 0.000 1.026 360 T HN 0.737 nan 8.240 nan 0.000 0.533 361 A N 1.910 124.777 122.820 0.079 0.000 1.883 361 A HA 0.248 4.586 4.320 0.030 0.000 0.217 361 A C 2.706 180.360 177.584 0.118 0.000 1.186 361 A CA 1.805 53.899 52.037 0.096 0.000 0.624 361 A CB -1.345 17.713 19.000 0.097 0.000 0.822 361 A HN 0.728 nan 8.150 nan 0.000 0.444 362 A N -0.165 122.645 122.820 -0.016 0.000 1.873 362 A HA 0.024 4.362 4.320 0.030 0.000 0.215 362 A C 2.306 179.930 177.584 0.066 0.000 1.186 362 A CA 2.150 54.107 52.037 -0.134 0.000 0.616 362 A CB -1.266 17.484 19.000 -0.417 0.000 0.823 362 A HN 1.143 nan 8.150 nan 0.000 0.442 363 V N -2.604 117.292 119.914 -0.031 0.000 2.626 363 V HA -0.142 3.996 4.120 0.030 0.000 0.252 363 V C 2.090 178.137 176.094 -0.079 0.000 1.067 363 V CA 2.539 64.692 62.300 -0.244 0.000 1.081 363 V CB -1.745 29.885 31.823 -0.323 0.000 0.686 363 V HN 0.410 nan 8.190 nan 0.000 0.468 364 T N 0.510 115.123 114.554 0.100 0.000 2.857 364 T HA -0.124 4.245 4.350 0.030 0.000 0.266 364 T C 1.949 176.831 174.700 0.304 0.000 1.048 364 T CA 2.085 64.307 62.100 0.203 0.000 1.139 364 T CB -0.540 68.411 68.868 0.139 0.000 0.874 364 T HN 0.626 nan 8.240 nan 0.000 0.455 365 T N 2.282 117.037 114.554 0.335 0.000 2.759 365 T HA -0.137 4.232 4.350 0.030 0.000 0.269 365 T C 1.932 176.712 174.700 0.133 0.000 1.042 365 T CA 1.245 63.451 62.100 0.176 0.000 1.140 365 T CB -0.225 68.733 68.868 0.150 0.000 0.864 365 T HN 0.550 nan 8.240 nan 0.000 0.455 366 R N 0.933 121.504 120.500 0.118 0.000 2.323 366 R HA 0.231 4.590 4.340 0.030 0.000 0.198 366 R C 1.505 177.875 176.300 0.116 0.000 0.988 366 R CA 0.923 57.038 56.100 0.024 0.000 1.041 366 R CB -0.150 30.064 30.300 -0.143 0.000 0.926 366 R HN 0.377 nan 8.270 nan 0.000 0.476 367 G N 0.058 108.965 108.800 0.179 0.000 2.179 367 G HA2 -0.237 3.741 3.960 0.030 0.000 0.220 367 G HA3 -0.237 3.741 3.960 0.030 0.000 0.220 367 G C 0.033 175.143 174.900 0.351 0.000 0.990 367 G CA -0.320 44.918 45.100 0.229 0.000 0.646 367 G HN 0.289 nan 8.290 nan 0.000 0.517 368 F N 0.989 120.984 119.950 0.075 0.000 2.506 368 F HA 0.443 4.990 4.527 0.033 0.000 0.351 368 F C 1.481 177.311 175.800 0.049 0.000 1.136 368 F CA 0.182 58.215 58.000 0.055 0.000 1.298 368 F CB 1.000 40.033 39.000 0.055 0.000 1.145 368 F HN 0.232 nan 8.300 nan 0.000 0.593 369 G N 1.573 110.475 108.800 0.169 0.000 3.251 369 G HA2 0.418 4.396 3.960 0.030 0.000 0.248 369 G HA3 0.418 4.396 3.960 0.030 0.000 0.248 369 G C 0.416 175.351 174.900 0.058 0.000 1.320 369 G CA -0.832 44.325 45.100 0.095 0.000 0.982 369 G HN 0.567 nan 8.290 nan 0.000 0.575 370 L N -0.030 121.213 121.223 0.034 0.000 2.046 370 L HA -0.053 4.305 4.340 0.030 0.000 0.208 370 L C 2.759 179.633 176.870 0.007 0.000 1.077 370 L CA 1.117 55.971 54.840 0.023 0.000 0.747 370 L CB -0.301 41.768 42.059 0.016 0.000 0.896 370 L HN 0.386 nan 8.230 nan 0.000 0.432 371 E N 0.399 120.592 120.200 -0.012 0.000 2.110 371 E HA -0.210 4.159 4.350 0.030 0.000 0.193 371 E C 2.093 178.658 176.600 -0.058 0.000 0.988 371 E CA 1.146 57.527 56.400 -0.032 0.000 0.804 371 E CB -0.120 29.555 29.700 -0.043 0.000 0.745 371 E HN 0.500 nan 8.360 nan 0.000 0.458 372 E N 0.078 120.223 120.200 -0.093 0.000 2.106 372 E HA -0.085 4.284 4.350 0.030 0.000 0.192 372 E C 1.942 178.527 176.600 -0.024 0.000 0.984 372 E CA 0.715 57.015 56.400 -0.167 0.000 0.806 372 E CB -0.123 29.326 29.700 -0.418 0.000 0.750 372 E HN 0.119 nan 8.360 nan 0.000 0.458 373 M N 0.798 120.420 119.600 0.037 0.000 2.117 373 M HA -0.133 4.366 4.480 0.030 0.000 0.262 373 M C 1.309 177.631 176.300 0.038 0.000 1.065 373 M CA 1.383 56.720 55.300 0.062 0.000 1.114 373 M CB -0.885 31.750 32.600 0.058 0.000 1.361 373 M HN 0.036 nan 8.290 nan 0.000 0.408 374 D N 0.119 120.531 120.400 0.020 0.000 2.123 374 D HA -0.188 4.470 4.640 0.030 0.000 0.196 374 D C 1.999 178.310 176.300 0.019 0.000 0.992 374 D CA 1.381 55.392 54.000 0.019 0.000 0.833 374 D CB -0.208 40.597 40.800 0.009 0.000 0.954 374 D HN 0.389 nan 8.370 nan 0.000 0.455 375 E N 0.589 120.790 120.200 0.000 0.000 2.072 375 E HA -0.084 4.285 4.350 0.030 0.000 0.191 375 E C 2.139 178.752 176.600 0.021 0.000 0.985 375 E CA 0.660 57.059 56.400 -0.002 0.000 0.801 375 E CB -0.364 29.313 29.700 -0.038 0.000 0.750 375 E HN 0.278 nan 8.360 nan 0.000 0.452 376 I N 0.510 121.101 120.570 0.036 0.000 2.163 376 I HA -0.295 3.894 4.170 0.030 0.000 0.243 376 I C 2.387 178.534 176.117 0.051 0.000 1.085 376 I CA 1.169 62.505 61.300 0.059 0.000 1.347 376 I CB -0.438 37.618 38.000 0.094 0.000 1.044 376 I HN 0.225 nan 8.210 nan 0.000 0.408 377 A N 0.667 123.519 122.820 0.053 0.000 1.902 377 A HA -0.175 4.163 4.320 0.030 0.000 0.217 377 A C 2.537 180.185 177.584 0.107 0.000 1.181 377 A CA 1.883 53.964 52.037 0.073 0.000 0.623 377 A CB -0.833 18.215 19.000 0.080 0.000 0.818 377 A HN 0.443 nan 8.150 nan 0.000 0.443 378 A N -0.055 122.810 122.820 0.077 0.000 1.933 378 A HA -0.070 4.268 4.320 0.030 0.000 0.218 378 A C 2.102 179.731 177.584 0.075 0.000 1.175 378 A CA 1.517 53.597 52.037 0.072 0.000 0.628 378 A CB -0.604 18.421 19.000 0.041 0.000 0.814 378 A HN 0.515 nan 8.150 nan 0.000 0.444 379 I N -0.462 120.145 120.570 0.061 0.000 2.252 379 I HA -0.236 3.952 4.170 0.030 0.000 0.245 379 I C 2.236 178.397 176.117 0.074 0.000 1.102 379 I CA 1.246 62.581 61.300 0.057 0.000 1.385 379 I CB -0.346 37.681 38.000 0.044 0.000 1.064 379 I HN 0.271 nan 8.210 nan 0.000 0.414 380 I N 0.858 121.474 120.570 0.076 0.000 2.286 380 I HA -0.201 3.988 4.170 0.030 0.000 0.248 380 I C 2.665 178.912 176.117 0.217 0.000 1.115 380 I CA 1.528 62.870 61.300 0.071 0.000 1.392 380 I CB -0.812 37.161 38.000 -0.045 0.000 1.065 380 I HN 0.265 nan 8.210 nan 0.000 0.418 381 G N 1.139 110.123 108.800 0.307 0.000 2.421 381 G HA2 -0.273 3.706 3.960 0.030 0.000 0.216 381 G HA3 -0.273 3.706 3.960 0.030 0.000 0.216 381 G C 1.654 176.651 174.900 0.162 0.000 1.171 381 G CA 0.768 46.068 45.100 0.333 0.000 0.775 381 G HN 0.292 nan 8.290 nan 0.000 0.543 382 L N 0.777 122.064 121.223 0.107 0.000 2.012 382 L HA -0.078 4.280 4.340 0.030 0.000 0.210 382 L C 2.861 179.772 176.870 0.070 0.000 1.073 382 L CA 1.734 56.614 54.840 0.066 0.000 0.748 382 L CB -0.558 41.531 42.059 0.050 0.000 0.891 382 L HN 0.091 nan 8.230 nan 0.000 0.431 383 V N -0.289 119.674 119.914 0.082 0.000 2.270 383 V HA -0.272 3.867 4.120 0.030 0.000 0.245 383 V C 2.502 178.648 176.094 0.088 0.000 1.043 383 V CA 2.056 64.398 62.300 0.071 0.000 1.014 383 V CB -0.565 31.293 31.823 0.059 0.000 0.645 383 V HN 0.456 nan 8.190 nan 0.000 0.447 384 L N -0.488 120.819 121.223 0.141 0.000 2.275 384 L HA -0.106 4.252 4.340 0.030 0.000 0.215 384 L C 2.252 179.200 176.870 0.130 0.000 1.119 384 L CA 1.327 56.266 54.840 0.164 0.000 0.790 384 L CB -0.536 41.692 42.059 0.282 0.000 0.919 384 L HN 0.315 nan 8.230 nan 0.000 0.443 385 K N 0.217 120.676 120.400 0.098 0.000 2.444 385 K HA 0.056 4.394 4.320 0.030 0.000 0.193 385 K C -0.038 176.579 176.600 0.028 0.000 1.024 385 K CA 0.307 56.614 56.287 0.033 0.000 1.077 385 K CB 0.140 32.631 32.500 -0.015 0.000 0.833 385 K HN 0.324 nan 8.250 nan 0.000 0.517 386 N N -0.067 118.656 118.700 0.039 0.000 2.622 386 N HA 0.045 4.803 4.740 0.030 0.000 0.304 386 N C 0.270 175.798 175.510 0.031 0.000 1.844 386 N CA -0.088 52.979 53.050 0.028 0.000 0.886 386 N CB 1.359 39.861 38.487 0.025 0.000 1.366 386 N HN -0.209 nan 8.380 nan 0.000 0.491 387 V N -0.407 119.528 119.914 0.035 0.000 2.720 387 V HA -0.104 4.034 4.120 0.030 0.000 0.256 387 V C 2.050 178.159 176.094 0.025 0.000 1.082 387 V CA 2.162 64.482 62.300 0.033 0.000 1.101 387 V CB -0.358 31.486 31.823 0.036 0.000 0.693 387 V HN 0.620 nan 8.190 nan 0.000 0.479 388 G N -1.226 107.586 108.800 0.021 0.000 3.042 388 G HA2 0.026 4.004 3.960 0.030 0.000 0.212 388 G HA3 0.026 4.004 3.960 0.030 0.000 0.212 388 G C 0.655 175.564 174.900 0.015 0.000 1.166 388 G CA 0.589 45.700 45.100 0.017 0.000 0.767 388 G HN 0.435 nan 8.290 nan 0.000 0.546 389 S N 0.484 116.194 115.700 0.017 0.000 2.423 389 S HA 0.296 4.784 4.470 0.030 0.000 0.317 389 S C 1.121 175.730 174.600 0.016 0.000 1.065 389 S CA -0.555 57.654 58.200 0.015 0.000 1.111 389 S CB 0.838 64.047 63.200 0.015 0.000 0.968 389 S HN 0.178 nan 8.310 nan 0.000 0.474 390 E N 3.673 123.882 120.200 0.014 0.000 2.204 390 E HA -0.171 4.197 4.350 0.030 0.000 0.194 390 E C 2.078 178.686 176.600 0.014 0.000 0.989 390 E CA 1.068 57.477 56.400 0.014 0.000 0.824 390 E CB -0.045 29.662 29.700 0.012 0.000 0.756 390 E HN 0.938 nan 8.360 nan 0.000 0.477 391 Q N 0.289 120.096 119.800 0.012 0.000 2.079 391 Q HA -0.026 4.332 4.340 0.030 0.000 0.200 391 Q C 2.165 178.174 176.000 0.014 0.000 0.974 391 Q CA 1.504 57.315 55.803 0.012 0.000 0.840 391 Q CB -0.423 28.321 28.738 0.010 0.000 0.898 391 Q HN 0.149 nan 8.270 nan 0.000 0.430 392 A N 1.876 124.705 122.820 0.016 0.000 1.933 392 A HA -0.075 4.263 4.320 0.030 0.000 0.218 392 A C 2.255 179.852 177.584 0.022 0.000 1.175 392 A CA 1.094 53.143 52.037 0.019 0.000 0.628 392 A CB -0.643 18.370 19.000 0.022 0.000 0.814 392 A HN 0.341 nan 8.150 nan 0.000 0.444 393 L N -0.969 120.267 121.223 0.021 0.000 2.093 393 L HA -0.156 4.202 4.340 0.030 0.000 0.208 393 L C 2.607 179.489 176.870 0.020 0.000 1.085 393 L CA 1.653 56.507 54.840 0.022 0.000 0.755 393 L CB -0.483 41.589 42.059 0.021 0.000 0.904 393 L HN 0.464 nan 8.230 nan 0.000 0.435 394 E N 0.778 120.988 120.200 0.017 0.000 2.106 394 E HA -0.252 4.116 4.350 0.030 0.000 0.192 394 E C 2.014 178.623 176.600 0.016 0.000 0.984 394 E CA 1.311 57.720 56.400 0.016 0.000 0.806 394 E CB 0.014 29.722 29.700 0.013 0.000 0.750 394 E HN 0.415 nan 8.360 nan 0.000 0.458 395 E N -0.294 119.915 120.200 0.016 0.000 2.051 395 E HA -0.218 4.150 4.350 0.030 0.000 0.192 395 E C 1.951 178.562 176.600 0.018 0.000 0.991 395 E CA 1.150 57.559 56.400 0.015 0.000 0.799 395 E CB -0.270 29.439 29.700 0.015 0.000 0.748 395 E HN 0.324 nan 8.360 nan 0.000 0.449 396 A N 1.396 124.229 122.820 0.022 0.000 1.908 396 A HA -0.205 4.133 4.320 0.030 0.000 0.218 396 A C 2.211 179.809 177.584 0.024 0.000 1.181 396 A CA 1.603 53.656 52.037 0.025 0.000 0.627 396 A CB -0.560 18.458 19.000 0.030 0.000 0.818 396 A HN 0.204 nan 8.150 nan 0.000 0.445 397 R N -0.727 119.786 120.500 0.022 0.000 2.091 397 R HA -0.180 4.178 4.340 0.030 0.000 0.238 397 R C 2.503 178.815 176.300 0.020 0.000 1.136 397 R CA 1.864 57.977 56.100 0.021 0.000 0.959 397 R CB -0.318 29.994 30.300 0.019 0.000 0.856 397 R HN 0.716 nan 8.270 nan 0.000 0.437 398 Q N -0.304 119.506 119.800 0.017 0.000 2.119 398 Q HA -0.135 4.223 4.340 0.030 0.000 0.201 398 Q C 2.088 178.096 176.000 0.012 0.000 0.972 398 Q CA 1.272 57.083 55.803 0.014 0.000 0.847 398 Q CB -0.010 28.735 28.738 0.012 0.000 0.903 398 Q HN 0.303 nan 8.270 nan 0.000 0.433 399 R N -0.199 120.309 120.500 0.013 0.000 2.115 399 R HA -0.064 4.294 4.340 0.030 0.000 0.226 399 R C 2.283 178.591 176.300 0.013 0.000 1.100 399 R CA 0.927 57.032 56.100 0.009 0.000 0.980 399 R CB -0.167 30.139 30.300 0.011 0.000 0.875 399 R HN 0.069 nan 8.270 nan 0.000 0.445 400 V N 1.042 120.971 119.914 0.024 0.000 2.307 400 V HA -0.224 3.915 4.120 0.030 0.000 0.245 400 V C 2.424 178.537 176.094 0.032 0.000 1.045 400 V CA 1.996 64.319 62.300 0.038 0.000 1.024 400 V CB -0.672 31.175 31.823 0.040 0.000 0.651 400 V HN 0.395 nan 8.190 nan 0.000 0.449 401 A N -0.023 122.811 122.820 0.023 0.000 1.978 401 A HA -0.139 4.199 4.320 0.030 0.000 0.220 401 A C 2.381 179.976 177.584 0.018 0.000 1.170 401 A CA 2.064 54.114 52.037 0.021 0.000 0.636 401 A CB -0.691 18.322 19.000 0.023 0.000 0.810 401 A HN 0.587 nan 8.150 nan 0.000 0.448 402 A N -0.550 122.275 122.820 0.008 0.000 1.969 402 A HA 0.039 4.377 4.320 0.030 0.000 0.218 402 A C 2.124 179.694 177.584 -0.023 0.000 1.169 402 A CA 1.366 53.400 52.037 -0.005 0.000 0.635 402 A CB -0.439 18.553 19.000 -0.013 0.000 0.810 402 A HN 0.476 nan 8.150 nan 0.000 0.445 403 L N -0.432 120.775 121.223 -0.025 0.000 2.131 403 L HA -0.090 4.268 4.340 0.030 0.000 0.206 403 L C 2.762 179.667 176.870 0.057 0.000 1.087 403 L CA 1.685 56.483 54.840 -0.070 0.000 0.767 403 L CB -0.407 41.626 42.059 -0.043 0.000 0.917 403 L HN 0.614 nan 8.230 nan 0.000 0.441 404 T N -4.088 110.509 114.554 0.073 0.000 3.065 404 T HA 0.062 4.431 4.350 0.030 0.000 0.252 404 T C 0.436 175.111 174.700 -0.043 0.000 1.099 404 T CA 0.229 62.325 62.100 -0.007 0.000 1.063 404 T CB -0.031 68.760 68.868 -0.128 0.000 0.948 404 T HN 0.489 nan 8.240 nan 0.000 0.506 405 D N 0.000 120.423 120.400 0.038 0.000 6.856 405 D HA 0.000 4.658 4.640 0.030 0.000 0.175 405 D CA 0.000 54.055 54.000 0.092 0.000 0.868 405 D CB 0.000 40.885 40.800 0.142 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683