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 2vmv_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 GVTSGIRIGT 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 0.000 176.224 176.300 -0.127 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 32.648 32.600 0.079 0.000 1.302 2 K N 0.341 120.630 120.400 -0.185 0.000 2.380 2 K HA 0.249 4.587 4.320 0.031 0.000 0.200 2 K C 0.646 176.940 176.600 -0.510 0.000 1.201 2 K CA 0.662 56.698 56.287 -0.418 0.000 0.916 2 K CB 0.495 32.626 32.500 -0.615 0.000 1.187 2 K HN 0.641 nan 8.250 nan 0.000 0.498 3 Y N 0.273 120.504 120.300 -0.115 0.000 2.389 3 Y HA 0.067 4.622 4.550 0.009 0.000 0.292 3 Y C 1.824 177.649 175.900 -0.124 0.000 1.117 3 Y CA 0.107 58.145 58.100 -0.104 0.000 1.195 3 Y CB -0.041 38.379 38.460 -0.067 0.000 1.076 3 Y HN 0.014 nan 8.280 nan 0.000 0.548 4 L N 1.468 122.697 121.223 0.009 0.000 2.042 4 L HA -0.077 4.282 4.340 0.031 0.000 0.210 4 L C -0.900 175.859 176.870 -0.185 0.000 1.076 4 L CA 1.970 56.792 54.840 -0.030 0.000 0.749 4 L CB -1.585 40.509 42.059 0.058 0.000 0.893 4 L HN -0.000 nan 8.230 nan 0.000 0.432 5 P HA -0.200 nan 4.420 nan 0.000 0.216 5 P C 1.419 178.545 177.300 -0.290 0.000 1.150 5 P CA 1.284 63.922 63.100 -0.768 0.000 0.837 5 P CB 0.080 31.127 31.700 -1.089 0.000 0.786 6 Q N -0.542 119.135 119.800 -0.205 0.000 2.163 6 Q HA -0.136 4.223 4.340 0.031 0.000 0.198 6 Q C 2.266 178.240 176.000 -0.043 0.000 0.954 6 Q CA 1.458 57.200 55.803 -0.102 0.000 0.851 6 Q CB -0.839 27.845 28.738 -0.089 0.000 0.928 6 Q HN 0.032 nan 8.270 nan 0.000 0.459 7 Q N 0.194 119.981 119.800 -0.023 0.000 2.083 7 Q HA -0.035 4.323 4.340 0.031 0.000 0.198 7 Q C -0.369 175.638 176.000 0.011 0.000 0.969 7 Q CA 1.506 57.313 55.803 0.005 0.000 0.838 7 Q CB 0.311 29.063 28.738 0.023 0.000 0.900 7 Q HN 0.175 nan 8.270 nan 0.000 0.436 8 D N -1.215 119.197 120.400 0.019 0.000 2.517 8 D HA 0.210 4.868 4.640 0.031 0.000 0.263 8 D C -2.247 174.105 176.300 0.087 0.000 1.233 8 D CA -1.732 52.296 54.000 0.047 0.000 0.849 8 D CB 1.333 42.166 40.800 0.054 0.000 1.261 8 D HN -0.020 nan 8.370 nan 0.000 0.516 9 P HA -0.144 nan 4.420 nan 0.000 0.216 9 P C 1.438 178.820 177.300 0.138 0.000 1.150 9 P CA 1.193 64.368 63.100 0.125 0.000 0.837 9 P CB 0.580 32.325 31.700 0.075 0.000 0.786 10 Q N -0.708 119.143 119.800 0.084 0.000 2.020 10 Q HA -0.118 4.241 4.340 0.031 0.000 0.202 10 Q C 2.148 178.185 176.000 0.062 0.000 0.982 10 Q CA 1.502 57.341 55.803 0.060 0.000 0.838 10 Q CB -0.914 27.847 28.738 0.038 0.000 0.899 10 Q HN 0.089 nan 8.270 nan 0.000 0.423 11 V N 0.667 120.626 119.914 0.076 0.000 2.295 11 V HA -0.258 3.881 4.120 0.031 0.000 0.246 11 V C 1.978 178.133 176.094 0.102 0.000 1.049 11 V CA 1.870 64.214 62.300 0.073 0.000 1.024 11 V CB -0.664 31.202 31.823 0.071 0.000 0.648 11 V HN 0.316 nan 8.190 nan 0.000 0.447 12 F N 1.593 121.544 119.950 0.003 0.000 2.095 12 F HA -0.201 4.334 4.527 0.013 0.000 0.298 12 F C 2.300 178.100 175.800 -0.000 0.000 1.104 12 F CA 1.470 59.470 58.000 0.001 0.000 1.232 12 F CB -0.697 38.303 39.000 -0.000 0.000 0.987 12 F HN 0.075 nan 8.300 nan 0.000 0.475 13 A N 0.305 123.095 122.820 -0.050 0.000 1.908 13 A HA -0.101 4.237 4.320 0.031 0.000 0.218 13 A C 2.426 179.911 177.584 -0.165 0.000 1.181 13 A CA 2.044 53.993 52.037 -0.146 0.000 0.627 13 A CB -1.586 17.404 19.000 -0.016 0.000 0.818 13 A HN 0.528 nan 8.150 nan 0.000 0.445 14 A N -0.185 122.579 122.820 -0.094 0.000 1.898 14 A HA -0.028 4.311 4.320 0.031 0.000 0.216 14 A C 2.119 179.644 177.584 -0.099 0.000 1.181 14 A CA 1.396 53.389 52.037 -0.072 0.000 0.620 14 A CB -0.576 18.406 19.000 -0.031 0.000 0.819 14 A HN 0.488 nan 8.150 nan 0.000 0.442 15 I N -0.272 120.225 120.570 -0.121 0.000 2.208 15 I HA -0.238 3.950 4.170 0.031 0.000 0.245 15 I C 2.468 178.469 176.117 -0.193 0.000 1.097 15 I CA 1.327 62.553 61.300 -0.123 0.000 1.363 15 I CB -0.351 37.602 38.000 -0.078 0.000 1.051 15 I HN 0.309 nan 8.210 nan 0.000 0.413 16 E N 0.622 120.605 120.200 -0.361 0.000 2.110 16 E HA -0.243 4.126 4.350 0.031 0.000 0.193 16 E C 2.164 178.651 176.600 -0.189 0.000 0.988 16 E CA 1.220 57.407 56.400 -0.356 0.000 0.804 16 E CB -0.271 29.082 29.700 -0.579 0.000 0.745 16 E HN 0.604 nan 8.360 nan 0.000 0.458 17 Q N 0.312 120.021 119.800 -0.152 0.000 2.061 17 Q HA -0.212 4.146 4.340 0.031 0.000 0.204 17 Q C 2.158 178.125 176.000 -0.054 0.000 0.984 17 Q CA 1.640 57.393 55.803 -0.083 0.000 0.846 17 Q CB -0.121 28.579 28.738 -0.063 0.000 0.902 17 Q HN 0.104 nan 8.270 nan 0.000 0.421 18 E N 1.123 121.291 120.200 -0.054 0.000 2.077 18 E HA -0.198 4.171 4.350 0.031 0.000 0.193 18 E C 1.828 178.422 176.600 -0.010 0.000 0.989 18 E CA 1.323 57.711 56.400 -0.021 0.000 0.800 18 E CB -0.069 29.621 29.700 -0.016 0.000 0.746 18 E HN 0.175 nan 8.360 nan 0.000 0.452 19 R N 0.215 120.693 120.500 -0.037 0.000 2.083 19 R HA -0.132 4.227 4.340 0.031 0.000 0.237 19 R C 2.154 178.442 176.300 -0.020 0.000 1.137 19 R CA 1.935 58.016 56.100 -0.032 0.000 0.951 19 R CB -0.069 30.193 30.300 -0.062 0.000 0.851 19 R HN 0.081 nan 8.270 nan 0.000 0.434 20 K N -0.271 120.113 120.400 -0.028 0.000 2.097 20 K HA -0.132 4.207 4.320 0.031 0.000 0.205 20 K C 2.269 178.896 176.600 0.044 0.000 1.050 20 K CA 1.125 57.415 56.287 0.005 0.000 0.938 20 K CB -0.174 32.315 32.500 -0.018 0.000 0.718 20 K HN 0.131 nan 8.250 nan 0.000 0.442 21 R N 1.552 122.066 120.500 0.023 0.000 2.083 21 R HA -0.185 4.174 4.340 0.031 0.000 0.237 21 R C 2.100 178.426 176.300 0.044 0.000 1.137 21 R CA 1.705 57.823 56.100 0.031 0.000 0.951 21 R CB -0.055 30.259 30.300 0.023 0.000 0.851 21 R HN 0.295 nan 8.270 nan 0.000 0.434 22 Q N -1.299 118.532 119.800 0.053 0.000 2.181 22 Q HA -0.239 4.119 4.340 0.031 0.000 0.205 22 Q C 1.909 177.879 176.000 -0.050 0.000 0.980 22 Q CA 1.933 57.775 55.803 0.066 0.000 0.862 22 Q CB -0.174 28.616 28.738 0.088 0.000 0.905 22 Q HN 0.541 nan 8.270 nan 0.000 0.429 23 H N -0.329 118.667 119.070 -0.124 0.000 2.403 23 H HA 0.091 4.666 4.556 0.030 0.000 0.298 23 H C 1.762 177.056 175.328 -0.057 0.000 1.059 23 H CA 1.415 57.382 56.048 -0.135 0.000 1.363 23 H CB 0.071 29.769 29.762 -0.107 0.000 1.410 23 H HN 0.201 nan 8.280 nan 0.000 0.528 24 A N 0.905 123.677 122.820 -0.080 0.000 1.970 24 A HA 0.061 4.399 4.320 0.031 0.000 0.216 24 A C 0.941 178.481 177.584 -0.074 0.000 1.170 24 A CA 0.452 52.435 52.037 -0.091 0.000 0.645 24 A CB 0.023 19.034 19.000 0.018 0.000 0.816 24 A HN 0.159 nan 8.150 nan 0.000 0.447 25 K N -0.180 120.198 120.400 -0.036 0.000 2.087 25 K HA 0.517 4.855 4.320 0.031 0.000 0.255 25 K C -0.770 175.830 176.600 0.000 0.000 0.988 25 K CA -0.393 55.895 56.287 0.001 0.000 0.915 25 K CB 1.129 33.646 32.500 0.028 0.000 1.043 25 K HN 0.226 nan 8.250 nan 0.000 0.457 26 I N 2.097 122.680 120.570 0.022 0.000 2.291 26 I HA 0.028 4.216 4.170 0.031 0.000 0.290 26 I C 0.361 176.490 176.117 0.020 0.000 1.050 26 I CA -0.579 60.732 61.300 0.019 0.000 1.245 26 I CB 0.701 38.747 38.000 0.077 0.000 1.405 26 I HN 0.413 nan 8.210 nan 0.000 0.478 27 E N 7.243 127.459 120.200 0.026 0.000 2.052 27 E HA 0.211 4.580 4.350 0.031 0.000 0.283 27 E C -0.047 176.548 176.600 -0.008 0.000 1.071 27 E CA 0.169 56.587 56.400 0.030 0.000 0.851 27 E CB 0.565 30.308 29.700 0.072 0.000 1.066 27 E HN 0.576 nan 8.360 nan 0.000 0.396 28 L N 4.860 126.081 121.223 -0.003 0.000 2.766 28 L HA 0.342 4.701 4.340 0.031 0.000 0.242 28 L C 0.354 177.225 176.870 0.002 0.000 1.136 28 L CA -0.368 54.471 54.840 -0.003 0.000 0.933 28 L CB 0.118 42.175 42.059 -0.003 0.000 1.241 28 L HN 0.533 nan 8.230 nan 0.000 0.522 29 I N 1.103 121.674 120.570 0.002 0.000 2.662 29 I HA -0.079 4.110 4.170 0.031 0.000 0.285 29 I C 1.617 177.764 176.117 0.051 0.000 1.161 29 I CA 0.026 61.338 61.300 0.021 0.000 1.415 29 I CB 1.368 39.378 38.000 0.017 0.000 1.385 29 I HN 0.149 nan 8.210 nan 0.000 0.552 30 A N 4.590 127.474 122.820 0.106 0.000 2.067 30 A HA -0.140 4.199 4.320 0.031 0.000 0.219 30 A C 2.179 179.941 177.584 0.296 0.000 1.158 30 A CA 1.712 53.876 52.037 0.211 0.000 0.661 30 A CB -0.420 18.690 19.000 0.184 0.000 0.801 30 A HN 0.820 nan 8.150 nan 0.000 0.452 31 S N -0.574 115.243 115.700 0.195 0.000 2.558 31 S HA 0.080 4.569 4.470 0.031 0.000 0.217 31 S C 0.401 174.976 174.600 -0.042 0.000 0.975 31 S CA -0.169 58.017 58.200 -0.024 0.000 0.912 31 S CB 0.013 63.224 63.200 0.018 0.000 0.776 31 S HN 0.463 nan 8.310 nan 0.000 0.526 32 E N 2.154 122.331 120.200 -0.039 0.000 2.319 32 E HA 0.532 4.901 4.350 0.031 0.000 0.268 32 E C -0.380 176.086 176.600 -0.225 0.000 1.050 32 E CA -0.309 56.008 56.400 -0.138 0.000 0.878 32 E CB 0.816 30.407 29.700 -0.182 0.000 1.066 32 E HN 0.250 nan 8.360 nan 0.000 0.406 33 N N 0.267 118.752 118.700 -0.359 0.000 3.106 33 N HA 0.382 5.140 4.740 0.031 0.000 0.253 33 N C -1.832 173.291 175.510 -0.646 0.000 1.506 33 N CA -0.535 52.262 53.050 -0.422 0.000 0.876 33 N CB 0.922 39.352 38.487 -0.096 0.000 1.452 33 N HN 0.163 nan 8.380 nan 0.000 0.542 34 F N 1.039 120.999 119.950 0.017 0.000 2.460 34 F HA 0.360 4.901 4.527 0.023 0.000 0.341 34 F C 0.684 176.478 175.800 -0.011 0.000 1.130 34 F CA -0.901 57.098 58.000 -0.002 0.000 0.962 34 F CB 1.148 40.141 39.000 -0.012 0.000 1.171 34 F HN 0.151 nan 8.300 nan 0.000 0.436 35 V N 0.446 120.448 119.914 0.147 0.000 3.133 35 V HA 0.630 4.768 4.120 0.031 0.000 0.305 35 V C 0.446 176.578 176.094 0.065 0.000 1.084 35 V CA -0.765 61.580 62.300 0.075 0.000 1.089 35 V CB 1.099 32.947 31.823 0.040 0.000 1.073 35 V HN 0.834 nan 8.190 nan 0.000 0.477 36 S N 2.737 118.455 115.700 0.030 0.000 2.600 36 S HA 0.323 4.812 4.470 0.031 0.000 0.265 36 S C 0.924 175.532 174.600 0.014 0.000 1.325 36 S CA -0.089 58.122 58.200 0.017 0.000 1.002 36 S CB 0.664 63.867 63.200 0.004 0.000 0.921 36 S HN 0.771 nan 8.310 nan 0.000 0.554 37 R N 0.870 121.376 120.500 0.010 0.000 2.096 37 R HA -0.081 4.278 4.340 0.031 0.000 0.235 37 R C 2.599 178.902 176.300 0.004 0.000 1.127 37 R CA 1.381 57.485 56.100 0.008 0.000 0.968 37 R CB -1.001 29.302 30.300 0.005 0.000 0.861 37 R HN 0.831 nan 8.270 nan 0.000 0.440 38 A N 0.638 123.457 122.820 -0.002 0.000 1.902 38 A HA -0.133 4.205 4.320 0.031 0.000 0.217 38 A C 2.341 179.916 177.584 -0.016 0.000 1.181 38 A CA 1.471 53.503 52.037 -0.008 0.000 0.623 38 A CB -0.592 18.402 19.000 -0.011 0.000 0.818 38 A HN 0.123 nan 8.150 nan 0.000 0.443 39 V N -0.059 119.843 119.914 -0.021 0.000 2.287 39 V HA -0.343 3.795 4.120 0.031 0.000 0.248 39 V C 2.669 178.751 176.094 -0.021 0.000 1.053 39 V CA 2.368 64.647 62.300 -0.034 0.000 1.027 39 V CB -0.690 31.111 31.823 -0.036 0.000 0.646 39 V HN 0.585 nan 8.190 nan 0.000 0.447 40 M N -0.824 118.774 119.600 -0.004 0.000 2.117 40 M HA -0.205 4.293 4.480 0.031 0.000 0.262 40 M C 2.223 178.530 176.300 0.011 0.000 1.065 40 M CA 1.855 57.159 55.300 0.007 0.000 1.114 40 M CB -0.547 32.063 32.600 0.017 0.000 1.361 40 M HN 0.371 nan 8.290 nan 0.000 0.408 41 E N 0.454 120.659 120.200 0.008 0.000 2.085 41 E HA -0.196 4.172 4.350 0.031 0.000 0.194 41 E C 2.094 178.699 176.600 0.009 0.000 0.994 41 E CA 1.343 57.749 56.400 0.010 0.000 0.801 41 E CB -0.181 29.522 29.700 0.006 0.000 0.743 41 E HN 0.517 nan 8.360 nan 0.000 0.453 42 A N 1.419 124.239 122.820 -0.000 0.000 1.908 42 A HA -0.263 4.075 4.320 0.031 0.000 0.218 42 A C 2.051 179.653 177.584 0.029 0.000 1.181 42 A CA 1.495 53.532 52.037 0.000 0.000 0.627 42 A CB -0.474 18.510 19.000 -0.027 0.000 0.818 42 A HN 0.218 nan 8.150 nan 0.000 0.445 43 Q N -0.970 118.847 119.800 0.028 0.000 2.224 43 Q HA -0.066 4.292 4.340 0.031 0.000 0.203 43 Q C 1.656 177.730 176.000 0.123 0.000 0.970 43 Q CA 1.002 56.855 55.803 0.084 0.000 0.865 43 Q CB -0.292 28.470 28.738 0.040 0.000 0.922 43 Q HN 0.642 nan 8.270 nan 0.000 0.445 44 G N 1.344 110.177 108.800 0.054 0.000 3.383 44 G HA2 0.065 4.043 3.960 0.031 0.000 0.251 44 G HA3 0.065 4.043 3.960 0.031 0.000 0.251 44 G C 0.305 175.204 174.900 -0.002 0.000 1.203 44 G CA -0.028 45.087 45.100 0.025 0.000 0.852 44 G HN 0.263 nan 8.290 nan 0.000 0.531 45 S N -0.851 114.852 115.700 0.005 0.000 2.707 45 S HA 0.302 4.791 4.470 0.031 0.000 0.276 45 S C 1.556 176.121 174.600 -0.059 0.000 1.179 45 S CA 0.047 58.238 58.200 -0.015 0.000 0.992 45 S CB 1.466 64.671 63.200 0.008 0.000 1.030 45 S HN 0.540 nan 8.310 nan 0.000 0.554 46 V N -0.908 118.974 119.914 -0.054 0.000 3.383 46 V HA 0.049 4.187 4.120 0.031 0.000 0.272 46 V C 1.653 177.706 176.094 -0.068 0.000 1.181 46 V CA 0.849 63.106 62.300 -0.071 0.000 1.171 46 V CB -1.389 30.403 31.823 -0.052 0.000 0.800 46 V HN 0.677 nan 8.190 nan 0.000 0.515 47 L N 1.006 122.208 121.223 -0.036 0.000 2.353 47 L HA -0.082 4.276 4.340 0.031 0.000 0.220 47 L C 2.745 179.589 176.870 -0.044 0.000 1.133 47 L CA 2.276 57.119 54.840 0.005 0.000 0.798 47 L CB -1.297 40.805 42.059 0.072 0.000 0.922 47 L HN 0.534 nan 8.230 nan 0.000 0.445 48 T N -1.059 113.323 114.554 -0.286 0.000 2.929 48 T HA -0.183 4.186 4.350 0.031 0.000 0.271 48 T C 1.586 176.144 174.700 -0.237 0.000 1.085 48 T CA 1.770 63.547 62.100 -0.538 0.000 1.125 48 T CB -0.381 67.953 68.868 -0.890 0.000 0.874 48 T HN 0.536 nan 8.240 nan 0.000 0.494 49 N N -0.084 118.528 118.700 -0.147 0.000 2.494 49 N HA 0.022 4.780 4.740 0.031 0.000 0.182 49 N C 0.377 175.869 175.510 -0.029 0.000 1.076 49 N CA 0.223 53.225 53.050 -0.079 0.000 0.908 49 N CB 0.147 38.602 38.487 -0.053 0.000 0.967 49 N HN 0.135 nan 8.380 nan 0.000 0.449 50 K N 0.781 121.164 120.400 -0.029 0.000 2.240 50 K HA 0.157 4.496 4.320 0.031 0.000 0.271 50 K C -1.448 175.149 176.600 -0.005 0.000 1.018 50 K CA -0.498 55.806 56.287 0.029 0.000 0.874 50 K CB 0.217 32.744 32.500 0.045 0.000 1.098 50 K HN -0.074 nan 8.250 nan 0.000 0.458 51 Y N 2.406 122.750 120.300 0.073 0.000 2.402 51 Y HA 0.315 4.888 4.550 0.038 0.000 0.333 51 Y C 0.546 176.432 175.900 -0.023 0.000 1.076 51 Y CA 0.520 58.643 58.100 0.038 0.000 1.299 51 Y CB 1.329 39.884 38.460 0.159 0.000 1.197 51 Y HN 0.720 nan 8.280 nan 0.000 0.517 52 A N 4.093 126.919 122.820 0.009 0.000 3.045 52 A HA 0.263 4.602 4.320 0.031 0.000 0.244 52 A C -0.219 177.197 177.584 -0.281 0.000 0.917 52 A CA -0.605 51.377 52.037 -0.091 0.000 1.075 52 A CB -0.341 18.619 19.000 -0.066 0.000 1.202 52 A HN 0.780 nan 8.150 nan 0.000 0.486 53 E N 0.263 120.203 120.200 -0.433 0.000 2.442 53 E HA 0.379 4.747 4.350 0.031 0.000 0.262 53 E C 1.023 177.234 176.600 -0.649 0.000 1.004 53 E CA 1.423 57.268 56.400 -0.926 0.000 0.928 53 E CB 0.542 29.506 29.700 -1.226 0.000 0.937 53 E HN 1.092 nan 8.360 nan 0.000 0.446 54 G N 1.465 109.777 108.800 -0.814 0.000 2.451 54 G HA2 -0.206 3.773 3.960 0.031 0.000 0.208 54 G HA3 -0.206 3.773 3.960 0.031 0.000 0.208 54 G C -1.479 173.072 174.900 -0.581 0.000 1.248 54 G CA -0.721 44.265 45.100 -0.190 0.000 0.989 54 G HN 0.438 nan 8.290 nan 0.000 0.559 55 Y N -0.189 120.167 120.300 0.093 0.000 2.609 55 Y HA 0.602 5.171 4.550 0.032 0.000 0.342 55 Y C -2.085 173.847 175.900 0.053 0.000 1.058 55 Y CA -1.845 56.298 58.100 0.071 0.000 1.055 55 Y CB 2.031 40.555 38.460 0.108 0.000 1.292 55 Y HN 0.429 nan 8.280 nan 0.000 0.476 56 P HA 0.042 nan 4.420 nan 0.000 0.260 56 P C 0.593 177.956 177.300 0.105 0.000 1.172 56 P CA 2.151 65.322 63.100 0.118 0.000 0.760 56 P CB 0.205 31.973 31.700 0.113 0.000 0.773 57 G N 3.191 112.029 108.800 0.064 0.000 2.184 57 G HA2 -0.271 3.708 3.960 0.031 0.000 0.264 57 G HA3 -0.271 3.708 3.960 0.031 0.000 0.264 57 G C 0.512 175.444 174.900 0.053 0.000 0.975 57 G CA -0.213 44.915 45.100 0.047 0.000 0.642 57 G HN 0.554 nan 8.290 nan 0.000 0.536 58 R N 0.020 120.570 120.500 0.083 0.000 2.647 58 R HA 0.248 4.607 4.340 0.031 0.000 0.295 58 R C 0.313 176.669 176.300 0.093 0.000 1.267 58 R CA -0.436 55.714 56.100 0.084 0.000 1.386 58 R CB 0.358 30.739 30.300 0.136 0.000 1.309 58 R HN 0.278 nan 8.270 nan 0.000 0.692 59 R N -0.195 120.341 120.500 0.061 0.000 2.532 59 R HA 0.291 4.649 4.340 0.031 0.000 0.272 59 R C 0.866 177.217 176.300 0.085 0.000 1.032 59 R CA -0.463 55.691 56.100 0.090 0.000 1.089 59 R CB 0.645 30.980 30.300 0.058 0.000 1.098 59 R HN 0.189 nan 8.270 nan 0.000 0.526 60 Y N -0.232 120.034 120.300 -0.057 0.000 2.286 60 Y HA -0.009 4.559 4.550 0.031 0.000 0.293 60 Y C 0.670 176.672 175.900 0.170 0.000 1.124 60 Y CA 0.897 58.993 58.100 -0.006 0.000 1.178 60 Y CB 0.238 38.615 38.460 -0.138 0.000 1.010 60 Y HN 0.419 nan 8.280 nan 0.000 0.536 61 Y N -0.101 120.283 120.300 0.140 0.000 2.419 61 Y HA 0.437 5.004 4.550 0.029 0.000 0.328 61 Y C 0.944 176.865 175.900 0.034 0.000 1.162 61 Y CA -1.408 56.733 58.100 0.069 0.000 1.174 61 Y CB 1.026 39.522 38.460 0.060 0.000 1.228 61 Y HN -0.095 nan 8.280 nan 0.000 0.473 62 G N -0.204 108.700 108.800 0.172 0.000 2.653 62 G HA2 0.361 4.339 3.960 0.031 0.000 0.265 62 G HA3 0.361 4.339 3.960 0.031 0.000 0.265 62 G C 0.809 175.749 174.900 0.066 0.000 1.237 62 G CA -0.031 45.114 45.100 0.075 0.000 0.946 62 G HN 1.111 nan 8.290 nan 0.000 0.522 63 G N -2.583 106.224 108.800 0.011 0.000 2.155 63 G HA2 -0.300 3.678 3.960 0.031 0.000 0.257 63 G HA3 -0.300 3.678 3.960 0.031 0.000 0.257 63 G C 0.929 175.815 174.900 -0.023 0.000 0.983 63 G CA 0.674 45.771 45.100 -0.005 0.000 0.676 63 G HN 0.942 nan 8.290 nan 0.000 0.528 64 C N 0.369 119.651 119.300 -0.030 0.000 2.673 64 C HA 0.343 4.822 4.460 0.031 0.000 0.274 64 C C 2.259 177.179 174.990 -0.116 0.000 1.276 64 C CA 0.428 59.428 59.018 -0.031 0.000 1.701 64 C CB -0.590 27.156 27.740 0.010 0.000 1.836 64 C HN 0.638 nan 8.230 nan 0.000 0.596 65 E N 0.790 120.819 120.200 -0.284 0.000 2.130 65 E HA -0.207 4.162 4.350 0.031 0.000 0.196 65 E C 1.210 177.595 176.600 -0.359 0.000 0.998 65 E CA 1.826 57.977 56.400 -0.417 0.000 0.806 65 E CB -0.234 29.045 29.700 -0.702 0.000 0.738 65 E HN 0.807 nan 8.360 nan 0.000 0.459 66 Y N -0.808 119.507 120.300 0.024 0.000 2.301 66 Y HA -0.045 4.524 4.550 0.030 0.000 0.295 66 Y C 2.337 178.248 175.900 0.018 0.000 1.119 66 Y CA 0.395 58.506 58.100 0.019 0.000 1.162 66 Y CB -0.271 38.197 38.460 0.014 0.000 1.046 66 Y HN 0.007 nan 8.280 nan 0.000 0.538 67 V N -1.764 118.227 119.914 0.130 0.000 2.594 67 V HA -0.202 3.936 4.120 0.031 0.000 0.253 67 V C 1.358 177.481 176.094 0.049 0.000 1.069 67 V CA 2.013 64.358 62.300 0.076 0.000 1.082 67 V CB -0.480 31.374 31.823 0.051 0.000 0.680 67 V HN 0.190 nan 8.190 nan 0.000 0.469 68 D N 1.019 121.439 120.400 0.033 0.000 2.097 68 D HA -0.093 4.566 4.640 0.031 0.000 0.195 68 D C 2.058 178.389 176.300 0.051 0.000 0.989 68 D CA 1.999 56.019 54.000 0.033 0.000 0.827 68 D CB -0.308 40.499 40.800 0.011 0.000 0.966 68 D HN 0.535 nan 8.370 nan 0.000 0.456 69 I N 0.219 120.828 120.570 0.064 0.000 2.163 69 I HA -0.258 3.931 4.170 0.031 0.000 0.243 69 I C 2.399 178.555 176.117 0.065 0.000 1.085 69 I CA 0.664 62.008 61.300 0.074 0.000 1.347 69 I CB -0.221 37.844 38.000 0.108 0.000 1.044 69 I HN -0.088 nan 8.210 nan 0.000 0.408 70 V N 0.625 120.578 119.914 0.064 0.000 2.287 70 V HA -0.330 3.809 4.120 0.031 0.000 0.248 70 V C 2.500 178.617 176.094 0.038 0.000 1.053 70 V CA 2.330 64.656 62.300 0.043 0.000 1.027 70 V CB -0.636 31.210 31.823 0.037 0.000 0.646 70 V HN 0.492 nan 8.190 nan 0.000 0.447 71 E N -0.346 119.880 120.200 0.044 0.000 2.077 71 E HA -0.229 4.140 4.350 0.031 0.000 0.193 71 E C 2.250 178.894 176.600 0.073 0.000 0.989 71 E CA 1.211 57.643 56.400 0.054 0.000 0.800 71 E CB -0.018 29.716 29.700 0.056 0.000 0.746 71 E HN 0.556 nan 8.360 nan 0.000 0.452 72 E N 0.472 120.714 120.200 0.070 0.000 2.106 72 E HA -0.170 4.199 4.350 0.031 0.000 0.192 72 E C 2.310 178.952 176.600 0.069 0.000 0.984 72 E CA 0.677 57.119 56.400 0.070 0.000 0.806 72 E CB -0.160 29.578 29.700 0.063 0.000 0.750 72 E HN 0.399 nan 8.360 nan 0.000 0.458 73 L N 0.537 121.799 121.223 0.065 0.000 2.042 73 L HA -0.202 4.157 4.340 0.031 0.000 0.210 73 L C 2.585 179.519 176.870 0.107 0.000 1.076 73 L CA 1.238 56.119 54.840 0.068 0.000 0.749 73 L CB -0.540 41.549 42.059 0.050 0.000 0.893 73 L HN 0.072 nan 8.230 nan 0.000 0.432 74 A N 0.098 122.987 122.820 0.115 0.000 1.877 74 A HA -0.209 4.130 4.320 0.031 0.000 0.216 74 A C 2.391 180.146 177.584 0.285 0.000 1.186 74 A CA 1.565 53.737 52.037 0.225 0.000 0.620 74 A CB -0.474 18.603 19.000 0.128 0.000 0.822 74 A HN 0.324 nan 8.150 nan 0.000 0.443 75 R N -0.676 119.913 120.500 0.147 0.000 2.066 75 R HA -0.090 4.269 4.340 0.031 0.000 0.232 75 R C 2.069 178.393 176.300 0.040 0.000 1.131 75 R CA 1.312 57.453 56.100 0.068 0.000 0.955 75 R CB -0.341 29.972 30.300 0.021 0.000 0.851 75 R HN 0.482 nan 8.270 nan 0.000 0.432 76 E N 0.739 120.972 120.200 0.054 0.000 2.072 76 E HA -0.139 4.229 4.350 0.031 0.000 0.191 76 E C 2.051 178.666 176.600 0.025 0.000 0.985 76 E CA 1.091 57.512 56.400 0.035 0.000 0.801 76 E CB -0.097 29.627 29.700 0.039 0.000 0.750 76 E HN 0.301 nan 8.360 nan 0.000 0.452 77 R N 0.523 121.061 120.500 0.063 0.000 2.092 77 R HA -0.026 4.333 4.340 0.031 0.000 0.231 77 R C 2.353 178.611 176.300 -0.070 0.000 1.119 77 R CA 1.173 57.302 56.100 0.048 0.000 0.970 77 R CB -0.307 30.089 30.300 0.160 0.000 0.864 77 R HN 0.100 nan 8.270 nan 0.000 0.440 78 A N 1.513 124.258 122.820 -0.126 0.000 1.902 78 A HA -0.188 4.151 4.320 0.031 0.000 0.217 78 A C 1.874 179.403 177.584 -0.091 0.000 1.181 78 A CA 1.371 53.208 52.037 -0.334 0.000 0.623 78 A CB -0.240 18.539 19.000 -0.368 0.000 0.818 78 A HN 0.190 nan 8.150 nan 0.000 0.443 79 K N -0.853 119.518 120.400 -0.049 0.000 2.057 79 K HA -0.179 4.159 4.320 0.031 0.000 0.206 79 K C 2.392 178.979 176.600 -0.023 0.000 1.050 79 K CA 1.498 57.779 56.287 -0.011 0.000 0.935 79 K CB -0.164 32.333 32.500 -0.005 0.000 0.715 79 K HN 0.685 nan 8.250 nan 0.000 0.439 80 Q N 0.887 120.657 119.800 -0.050 0.000 2.079 80 Q HA -0.165 4.194 4.340 0.031 0.000 0.200 80 Q C 2.142 178.065 176.000 -0.129 0.000 0.974 80 Q CA 1.014 56.778 55.803 -0.064 0.000 0.840 80 Q CB 0.028 28.736 28.738 -0.050 0.000 0.898 80 Q HN 0.148 nan 8.270 nan 0.000 0.430 81 L N -0.474 120.608 121.223 -0.236 0.000 2.083 81 L HA -0.089 4.269 4.340 0.031 0.000 0.209 81 L C 1.133 177.645 176.870 -0.597 0.000 1.083 81 L CA 1.751 56.299 54.840 -0.487 0.000 0.752 81 L CB -0.130 41.477 42.059 -0.753 0.000 0.899 81 L HN 0.243 nan 8.230 nan 0.000 0.433 82 F N -0.843 119.040 119.950 -0.111 0.000 2.682 82 F HA 0.422 4.966 4.527 0.028 0.000 0.308 82 F C 1.668 177.433 175.800 -0.058 0.000 1.093 82 F CA 0.136 58.086 58.000 -0.084 0.000 1.244 82 F CB -0.269 38.659 39.000 -0.120 0.000 1.052 82 F HN 0.057 nan 8.300 nan 0.000 0.573 83 G N 1.437 110.277 108.800 0.066 0.000 2.249 83 G HA2 -0.105 3.873 3.960 0.031 0.000 0.273 83 G HA3 -0.105 3.873 3.960 0.031 0.000 0.273 83 G C 0.248 175.172 174.900 0.039 0.000 1.036 83 G CA 0.148 45.269 45.100 0.036 0.000 0.824 83 G HN 0.658 nan 8.290 nan 0.000 0.504 84 A N -0.960 121.892 122.820 0.054 0.000 2.293 84 A HA 0.790 5.128 4.320 0.031 0.000 0.302 84 A C 1.007 178.611 177.584 0.034 0.000 1.119 84 A CA 0.294 52.353 52.037 0.037 0.000 0.823 84 A CB 0.711 19.729 19.000 0.031 0.000 1.097 84 A HN 0.365 nan 8.150 nan 0.000 0.491 85 E N -0.724 119.504 120.200 0.047 0.000 2.230 85 E HA -0.005 4.363 4.350 0.031 0.000 0.192 85 E C -0.306 176.370 176.600 0.127 0.000 0.987 85 E CA 0.735 57.171 56.400 0.061 0.000 0.841 85 E CB 0.125 29.850 29.700 0.042 0.000 0.783 85 E HN 0.729 nan 8.360 nan 0.000 0.481 86 H N -0.914 118.166 119.070 0.016 0.000 2.894 86 H HA 0.560 5.135 4.556 0.032 0.000 0.367 86 H C -1.753 173.590 175.328 0.025 0.000 1.144 86 H CA -0.605 55.455 56.048 0.020 0.000 1.180 86 H CB 1.707 31.485 29.762 0.027 0.000 1.758 86 H HN -0.016 nan 8.280 nan 0.000 0.541 87 A N 3.986 126.437 122.820 -0.615 0.000 2.386 87 A HA 0.441 4.779 4.320 0.031 0.000 0.311 87 A C -1.146 176.128 177.584 -0.517 0.000 1.068 87 A CA -0.869 50.931 52.037 -0.393 0.000 0.743 87 A CB 1.260 20.153 19.000 -0.179 0.000 1.258 87 A HN 0.716 nan 8.150 nan 0.000 0.429 88 N N 2.022 120.608 118.700 -0.190 0.000 2.443 88 N HA 0.322 5.080 4.740 0.031 0.000 0.269 88 N C 0.127 175.662 175.510 0.043 0.000 0.985 88 N CA -0.154 52.885 53.050 -0.018 0.000 0.921 88 N CB 1.910 40.454 38.487 0.095 0.000 1.195 88 N HN 0.699 nan 8.380 nan 0.000 0.492 89 V N 1.305 121.269 119.914 0.084 0.000 3.542 89 V HA 0.214 4.353 4.120 0.031 0.000 0.296 89 V C 1.318 177.447 176.094 0.058 0.000 1.364 89 V CA 0.296 62.657 62.300 0.103 0.000 1.118 89 V CB -0.050 31.863 31.823 0.151 0.000 0.972 89 V HN 0.544 nan 8.190 nan 0.000 0.430 90 Q N 0.664 120.494 119.800 0.050 0.000 2.389 90 Q HA 0.165 4.524 4.340 0.031 0.000 0.204 90 Q C -1.584 174.347 176.000 -0.115 0.000 0.944 90 Q CA -0.405 55.380 55.803 -0.031 0.000 0.908 90 Q CB -0.782 27.932 28.738 -0.040 0.000 1.002 90 Q HN 0.559 nan 8.270 nan 0.000 0.493 91 P HA -0.096 nan 4.420 nan 0.000 0.264 91 P C -0.087 177.167 177.300 -0.076 0.000 1.193 91 P CA 0.523 63.549 63.100 -0.123 0.000 0.763 91 P CB 0.436 32.107 31.700 -0.049 0.000 0.810 92 H N 0.469 119.522 119.070 -0.029 0.000 2.521 92 H HA 0.015 4.590 4.556 0.031 0.000 0.286 92 H C 0.947 176.263 175.328 -0.020 0.000 1.034 92 H CA 1.104 57.127 56.048 -0.042 0.000 1.278 92 H CB 0.046 29.778 29.762 -0.050 0.000 1.386 92 H HN 0.503 nan 8.280 nan 0.000 0.567 93 S N -2.962 112.801 115.700 0.106 0.000 2.615 93 S HA 0.379 4.867 4.470 0.031 0.000 0.268 93 S C 1.271 175.911 174.600 0.066 0.000 1.146 93 S CA -0.385 57.878 58.200 0.105 0.000 0.818 93 S CB 1.036 64.294 63.200 0.097 0.000 1.111 93 S HN 0.093 nan 8.310 nan 0.000 0.465 94 G N 0.780 109.622 108.800 0.069 0.000 2.442 94 G HA2 0.083 4.061 3.960 0.031 0.000 0.219 94 G HA3 0.083 4.061 3.960 0.031 0.000 0.219 94 G C 1.519 176.420 174.900 0.001 0.000 1.141 94 G CA 1.205 46.296 45.100 -0.016 0.000 0.763 94 G HN 1.392 nan 8.290 nan 0.000 0.554 95 A N 0.179 123.037 122.820 0.063 0.000 1.883 95 A HA -0.118 4.221 4.320 0.031 0.000 0.217 95 A C 2.379 180.006 177.584 0.073 0.000 1.186 95 A CA 2.225 54.342 52.037 0.133 0.000 0.624 95 A CB -0.411 18.692 19.000 0.172 0.000 0.822 95 A HN 0.349 nan 8.150 nan 0.000 0.444 96 Q N -0.563 119.243 119.800 0.010 0.000 2.172 96 Q HA 0.119 4.478 4.340 0.031 0.000 0.200 96 Q C 2.277 178.236 176.000 -0.069 0.000 0.964 96 Q CA 1.489 57.258 55.803 -0.056 0.000 0.855 96 Q CB -0.653 28.052 28.738 -0.054 0.000 0.918 96 Q HN 0.647 nan 8.270 nan 0.000 0.444 97 A N 0.878 123.666 122.820 -0.053 0.000 1.883 97 A HA -0.254 4.085 4.320 0.031 0.000 0.217 97 A C 1.816 179.323 177.584 -0.130 0.000 1.186 97 A CA 1.861 53.853 52.037 -0.075 0.000 0.624 97 A CB -0.655 18.306 19.000 -0.065 0.000 0.822 97 A HN 0.349 nan 8.150 nan 0.000 0.444 98 N N -0.634 117.981 118.700 -0.141 0.000 2.084 98 N HA -0.162 4.597 4.740 0.031 0.000 0.190 98 N C 1.744 176.996 175.510 -0.431 0.000 1.030 98 N CA 1.703 54.544 53.050 -0.347 0.000 0.849 98 N CB -0.556 37.796 38.487 -0.225 0.000 1.012 98 N HN 0.628 nan 8.380 nan 0.000 0.423 99 M N 0.698 120.289 119.600 -0.014 0.000 2.089 99 M HA -0.226 4.273 4.480 0.031 0.000 0.257 99 M C 1.844 178.190 176.300 0.077 0.000 1.071 99 M CA 1.951 57.333 55.300 0.136 0.000 1.096 99 M CB -0.056 32.413 32.600 -0.218 0.000 1.330 99 M HN 0.205 nan 8.290 nan 0.000 0.403 100 A N -0.681 122.114 122.820 -0.042 0.000 1.902 100 A HA -0.109 4.229 4.320 0.031 0.000 0.217 100 A C 2.019 179.585 177.584 -0.030 0.000 1.181 100 A CA 1.842 53.877 52.037 -0.004 0.000 0.623 100 A CB -1.083 17.895 19.000 -0.036 0.000 0.818 100 A HN 0.433 nan 8.150 nan 0.000 0.443 101 V N -0.969 118.825 119.914 -0.201 0.000 2.343 101 V HA -0.270 3.868 4.120 0.031 0.000 0.247 101 V C 2.446 178.377 176.094 -0.271 0.000 1.051 101 V CA 1.884 63.939 62.300 -0.409 0.000 1.036 101 V CB -1.135 30.387 31.823 -0.503 0.000 0.654 101 V HN 0.625 nan 8.190 nan 0.000 0.451 102 Y N -0.803 119.427 120.300 -0.116 0.000 2.165 102 Y HA -0.219 4.350 4.550 0.032 0.000 0.286 102 Y C 2.303 178.193 175.900 -0.016 0.000 1.155 102 Y CA 1.052 59.067 58.100 -0.142 0.000 1.164 102 Y CB -1.245 37.243 38.460 0.047 0.000 0.978 102 Y HN 0.292 nan 8.280 nan 0.000 0.513 103 F N 0.616 120.661 119.950 0.158 0.000 2.216 103 F HA -0.193 4.354 4.527 0.032 0.000 0.300 103 F C 2.164 177.960 175.800 -0.007 0.000 1.085 103 F CA 1.784 59.855 58.000 0.118 0.000 1.326 103 F CB -0.437 38.614 39.000 0.084 0.000 1.027 103 F HN -0.051 nan 8.300 nan 0.000 0.497 104 T N -0.588 113.920 114.554 -0.077 0.000 2.770 104 T HA -0.098 4.270 4.350 0.031 0.000 0.263 104 T C 1.929 176.454 174.700 -0.291 0.000 1.039 104 T CA 1.933 63.905 62.100 -0.214 0.000 1.142 104 T CB -0.416 68.269 68.868 -0.305 0.000 0.868 104 T HN 0.241 nan 8.240 nan 0.000 0.435 105 V N -1.832 117.862 119.914 -0.367 0.000 3.645 105 V HA 0.486 4.625 4.120 0.031 0.000 0.275 105 V C 0.395 176.351 176.094 -0.229 0.000 1.356 105 V CA -0.166 61.897 62.300 -0.395 0.000 1.051 105 V CB -0.443 30.928 31.823 -0.753 0.000 0.828 105 V HN 0.221 nan 8.190 nan 0.000 0.441 106 L N 0.816 121.923 121.223 -0.193 0.000 2.334 106 L HA 0.707 5.066 4.340 0.031 0.000 0.273 106 L C 0.008 176.897 176.870 0.033 0.000 1.013 106 L CA -0.458 54.310 54.840 -0.120 0.000 0.816 106 L CB 1.767 43.613 42.059 -0.356 0.000 1.278 106 L HN 0.032 nan 8.230 nan 0.000 0.431 107 E N 0.304 120.555 120.200 0.086 0.000 2.227 107 E HA 0.170 4.538 4.350 0.031 0.000 0.268 107 E C -0.690 176.062 176.600 0.254 0.000 0.990 107 E CA -0.667 55.817 56.400 0.139 0.000 0.856 107 E CB 1.244 30.988 29.700 0.074 0.000 1.159 107 E HN 0.447 nan 8.360 nan 0.000 0.401 108 H N 0.322 119.459 119.070 0.112 0.000 3.125 108 H HA -0.072 4.502 4.556 0.030 0.000 0.310 108 H C 0.885 176.240 175.328 0.046 0.000 0.980 108 H CA 1.902 57.965 56.048 0.024 0.000 1.422 108 H CB 0.170 29.923 29.762 -0.015 0.000 1.432 108 H HN 0.776 nan 8.280 nan 0.000 0.577 109 G N 4.499 113.033 108.800 -0.443 0.000 2.195 109 G HA2 -0.254 3.725 3.960 0.031 0.000 0.246 109 G HA3 -0.254 3.725 3.960 0.031 0.000 0.246 109 G C 0.072 174.922 174.900 -0.084 0.000 0.984 109 G CA 0.220 45.130 45.100 -0.316 0.000 0.633 109 G HN 0.687 nan 8.290 nan 0.000 0.525 110 D N 1.448 121.858 120.400 0.016 0.000 2.449 110 D HA 0.401 5.060 4.640 0.031 0.000 0.236 110 D C 0.877 177.122 176.300 -0.092 0.000 1.149 110 D CA 0.839 54.828 54.000 -0.018 0.000 0.878 110 D CB 0.680 41.467 40.800 -0.022 0.000 1.198 110 D HN 0.132 nan 8.370 nan 0.000 0.446 111 T N 1.400 115.882 114.554 -0.121 0.000 2.832 111 T HA 0.388 4.757 4.350 0.031 0.000 0.296 111 T C 0.051 174.562 174.700 -0.315 0.000 0.968 111 T CA -0.505 61.483 62.100 -0.186 0.000 1.107 111 T CB 0.758 69.567 68.868 -0.097 0.000 0.916 111 T HN -0.008 nan 8.240 nan 0.000 0.517 112 V N 4.191 123.770 119.914 -0.559 0.000 2.735 112 V HA 0.537 4.675 4.120 0.031 0.000 0.310 112 V C -0.654 175.101 176.094 -0.564 0.000 1.061 112 V CA -1.044 60.807 62.300 -0.748 0.000 0.913 112 V CB 1.965 32.861 31.823 -1.544 0.000 1.005 112 V HN 0.671 nan 8.190 nan 0.000 0.428 113 L N 3.807 124.885 121.223 -0.242 0.000 2.305 113 L HA 0.956 5.314 4.340 0.031 0.000 0.284 113 L C 0.214 177.169 176.870 0.142 0.000 1.013 113 L CA 0.507 55.346 54.840 -0.003 0.000 0.819 113 L CB 0.937 43.073 42.059 0.128 0.000 1.227 113 L HN 0.799 nan 8.230 nan 0.000 0.417 114 G N 3.974 112.851 108.800 0.128 0.000 2.818 114 G HA2 0.437 4.415 3.960 0.031 0.000 0.286 114 G HA3 0.437 4.415 3.960 0.031 0.000 0.286 114 G C -1.210 173.335 174.900 -0.592 0.000 1.364 114 G CA -0.979 44.143 45.100 0.036 0.000 0.938 114 G HN 0.654 nan 8.290 nan 0.000 0.490 115 M N 1.675 120.868 119.600 -0.678 0.000 2.219 115 M HA 0.149 4.647 4.480 0.031 0.000 0.353 115 M C 0.592 176.611 176.300 -0.467 0.000 1.304 115 M CA -0.627 54.116 55.300 -0.929 0.000 1.115 115 M CB 0.392 32.784 32.600 -0.347 0.000 1.664 115 M HN 0.594 nan 8.290 nan 0.000 0.459 116 N N 4.441 122.837 118.700 -0.505 0.000 2.294 116 N HA -0.090 4.668 4.740 0.031 0.000 0.263 116 N C 0.691 176.043 175.510 -0.264 0.000 1.281 116 N CA 0.363 53.161 53.050 -0.420 0.000 0.846 116 N CB 0.483 38.516 38.487 -0.756 0.000 1.061 116 N HN 0.788 nan 8.380 nan 0.000 0.478 117 L N 2.444 123.541 121.223 -0.210 0.000 2.131 117 L HA -0.145 4.213 4.340 0.031 0.000 0.210 117 L C 1.904 178.711 176.870 -0.104 0.000 1.092 117 L CA 0.968 55.720 54.840 -0.147 0.000 0.759 117 L CB -0.436 41.526 42.059 -0.162 0.000 0.903 117 L HN 0.495 nan 8.230 nan 0.000 0.435 118 S N -1.949 113.686 115.700 -0.108 0.000 2.561 118 S HA -0.059 4.430 4.470 0.031 0.000 0.225 118 S C 1.383 176.054 174.600 0.119 0.000 0.977 118 S CA 0.423 58.612 58.200 -0.018 0.000 0.926 118 S CB -0.257 62.928 63.200 -0.024 0.000 0.769 118 S HN 0.554 nan 8.310 nan 0.000 0.533 119 H N -0.803 118.177 119.070 -0.149 0.000 2.652 119 H HA 0.307 4.881 4.556 0.030 0.000 0.274 119 H C 1.607 176.909 175.328 -0.044 0.000 1.021 119 H CA 0.193 56.170 56.048 -0.117 0.000 1.187 119 H CB 0.736 30.411 29.762 -0.145 0.000 1.505 119 H HN 0.504 nan 8.280 nan 0.000 0.530 120 G N 0.546 109.386 108.800 0.066 0.000 2.672 120 G HA2 -0.185 3.793 3.960 0.031 0.000 0.197 120 G HA3 -0.185 3.793 3.960 0.031 0.000 0.197 120 G C 0.739 175.665 174.900 0.044 0.000 0.995 120 G CA -0.352 44.784 45.100 0.060 0.000 0.754 120 G HN 0.512 nan 8.290 nan 0.000 0.505 121 G N 0.020 108.827 108.800 0.012 0.000 2.559 121 G HA2 0.410 4.389 3.960 0.031 0.000 0.235 121 G HA3 0.410 4.389 3.960 0.031 0.000 0.235 121 G C -0.109 174.772 174.900 -0.031 0.000 1.266 121 G CA 0.259 45.399 45.100 0.066 0.000 0.847 121 G HN 0.460 nan 8.290 nan 0.000 0.583 122 H N 1.347 120.212 119.070 -0.342 0.000 2.482 122 H HA 0.119 4.693 4.556 0.030 0.000 0.344 122 H C 1.499 176.587 175.328 -0.402 0.000 1.151 122 H CA -0.801 54.952 56.048 -0.491 0.000 1.300 122 H CB 1.632 30.926 29.762 -0.780 0.000 1.494 122 H HN 0.324 nan 8.280 nan 0.000 0.542 123 L N 3.238 123.926 121.223 -0.890 0.000 2.064 123 L HA -0.249 4.109 4.340 0.031 0.000 0.216 123 L C 2.287 178.958 176.870 -0.332 0.000 1.077 123 L CA 2.710 57.214 54.840 -0.560 0.000 0.766 123 L CB -0.806 40.909 42.059 -0.573 0.000 0.890 123 L HN 0.848 nan 8.230 nan 0.000 0.435 124 T N -4.742 109.746 114.554 -0.110 0.000 3.194 124 T HA -0.040 4.329 4.350 0.031 0.000 0.251 124 T C 0.853 175.596 174.700 0.071 0.000 1.132 124 T CA 0.607 62.734 62.100 0.046 0.000 1.028 124 T CB -0.992 68.069 68.868 0.323 0.000 0.976 124 T HN 0.640 nan 8.240 nan 0.000 0.535 125 H N 0.574 119.537 119.070 -0.179 0.000 2.577 125 H HA 0.492 5.067 4.556 0.031 0.000 0.306 125 H C 1.394 176.111 175.328 -1.018 0.000 1.109 125 H CA -0.465 55.386 56.048 -0.329 0.000 1.063 125 H CB 0.036 29.774 29.762 -0.040 0.000 1.535 125 H HN 0.511 nan 8.280 nan 0.000 0.532 126 G N 0.919 108.952 108.800 -1.279 0.000 2.148 126 G HA2 -0.286 3.692 3.960 0.031 0.000 0.157 126 G HA3 -0.286 3.692 3.960 0.031 0.000 0.157 126 G C 0.241 174.815 174.900 -0.544 0.000 1.012 126 G CA 0.012 44.289 45.100 -1.370 0.000 0.677 126 G HN 0.411 nan 8.290 nan 0.000 0.506 127 S N 1.208 116.663 115.700 -0.409 0.000 2.552 127 S HA 0.395 4.884 4.470 0.031 0.000 0.289 127 S C 0.064 174.544 174.600 -0.200 0.000 1.304 127 S CA 0.032 58.080 58.200 -0.254 0.000 1.063 127 S CB 1.084 64.153 63.200 -0.218 0.000 0.848 127 S HN 0.187 nan 8.310 nan 0.000 0.499 128 P HA -0.011 nan 4.420 nan 0.000 0.230 128 P C 0.964 178.223 177.300 -0.069 0.000 1.158 128 P CA 0.697 63.742 63.100 -0.091 0.000 0.769 128 P CB -0.295 31.365 31.700 -0.068 0.000 0.807 129 V N -4.501 115.368 119.914 -0.074 0.000 3.578 129 V HA 0.279 4.418 4.120 0.031 0.000 0.290 129 V C 0.707 176.783 176.094 -0.030 0.000 1.376 129 V CA -0.424 61.850 62.300 -0.043 0.000 1.083 129 V CB -0.876 30.923 31.823 -0.040 0.000 0.911 129 V HN 0.010 nan 8.190 nan 0.000 0.433 130 N N 0.583 119.245 118.700 -0.065 0.000 2.443 130 N HA 0.245 5.003 4.740 0.031 0.000 0.293 130 N C 0.973 176.463 175.510 -0.034 0.000 1.159 130 N CA -0.126 52.904 53.050 -0.034 0.000 0.904 130 N CB 2.141 40.550 38.487 -0.130 0.000 1.214 130 N HN 0.211 nan 8.380 nan 0.000 0.513 131 F N 1.992 121.956 119.950 0.023 0.000 2.202 131 F HA -0.154 4.392 4.527 0.031 0.000 0.301 131 F C 2.302 178.141 175.800 0.064 0.000 1.082 131 F CA 1.419 59.444 58.000 0.042 0.000 1.313 131 F CB -0.988 38.058 39.000 0.078 0.000 1.024 131 F HN 0.444 nan 8.300 nan 0.000 0.495 132 S N 0.465 115.542 115.700 -1.040 0.000 2.356 132 S HA -0.065 4.424 4.470 0.031 0.000 0.223 132 S C 2.275 176.744 174.600 -0.219 0.000 1.032 132 S CA 1.016 58.825 58.200 -0.651 0.000 1.005 132 S CB -1.656 61.078 63.200 -0.777 0.000 0.867 132 S HN 0.559 nan 8.310 nan 0.000 0.449 133 G N 0.376 108.995 108.800 -0.302 0.000 2.511 133 G HA2 0.112 4.091 3.960 0.031 0.000 0.217 133 G HA3 0.112 4.091 3.960 0.031 0.000 0.217 133 G C 1.306 176.173 174.900 -0.055 0.000 1.133 133 G CA 0.624 45.641 45.100 -0.139 0.000 0.792 133 G HN 0.474 nan 8.290 nan 0.000 0.539 134 V N 0.051 119.922 119.914 -0.071 0.000 2.446 134 V HA -0.067 4.071 4.120 0.031 0.000 0.244 134 V C 2.567 178.619 176.094 -0.070 0.000 1.039 134 V CA 1.913 64.192 62.300 -0.036 0.000 1.045 134 V CB 0.288 32.115 31.823 0.008 0.000 0.681 134 V HN 0.413 nan 8.190 nan 0.000 0.459 135 Q N -0.791 118.907 119.800 -0.169 0.000 2.250 135 Q HA 0.043 4.402 4.340 0.031 0.000 0.200 135 Q C -0.129 175.439 176.000 -0.720 0.000 0.941 135 Q CA 1.060 56.614 55.803 -0.416 0.000 0.872 135 Q CB 0.198 28.575 28.738 -0.602 0.000 0.965 135 Q HN 0.647 nan 8.270 nan 0.000 0.480 136 Y N -0.890 119.386 120.300 -0.040 0.000 2.570 136 Y HA 0.407 4.975 4.550 0.030 0.000 0.345 136 Y C -0.593 175.274 175.900 -0.054 0.000 1.014 136 Y CA -1.905 56.130 58.100 -0.108 0.000 1.063 136 Y CB 0.862 39.224 38.460 -0.163 0.000 1.272 136 Y HN -0.169 nan 8.280 nan 0.000 0.477 137 N N 1.330 120.037 118.700 0.013 0.000 2.602 137 N HA 0.235 4.994 4.740 0.031 0.000 0.238 137 N C -1.765 173.690 175.510 -0.092 0.000 1.084 137 N CA -0.103 52.929 53.050 -0.030 0.000 0.952 137 N CB -0.266 38.179 38.487 -0.070 0.000 1.244 137 N HN 0.409 nan 8.380 nan 0.000 0.512 138 F N 2.511 122.392 119.950 -0.115 0.000 2.410 138 F HA 0.266 4.812 4.527 0.031 0.000 0.348 138 F C 0.723 176.419 175.800 -0.174 0.000 1.106 138 F CA -0.442 57.474 58.000 -0.140 0.000 1.163 138 F CB 0.843 39.761 39.000 -0.137 0.000 1.129 138 F HN 0.130 nan 8.300 nan 0.000 0.516 139 V N 0.704 120.563 119.914 -0.091 0.000 3.019 139 V HA 0.988 5.126 4.120 0.031 0.000 0.317 139 V C -0.589 175.457 176.094 -0.080 0.000 1.094 139 V CA -1.172 61.017 62.300 -0.186 0.000 1.000 139 V CB 1.407 32.919 31.823 -0.519 0.000 1.060 139 V HN 0.884 nan 8.190 nan 0.000 0.443 140 A N 1.944 124.703 122.820 -0.100 0.000 2.386 140 A HA 0.918 5.256 4.320 0.031 0.000 0.311 140 A C -1.016 176.527 177.584 -0.068 0.000 1.068 140 A CA -0.717 51.233 52.037 -0.146 0.000 0.743 140 A CB 1.448 20.321 19.000 -0.211 0.000 1.258 140 A HN 1.543 nan 8.150 nan 0.000 0.429 141 Y N 0.060 120.348 120.300 -0.020 0.000 2.496 141 Y HA 0.843 5.412 4.550 0.030 0.000 0.331 141 Y C 0.456 176.324 175.900 -0.053 0.000 1.140 141 Y CA -0.890 57.198 58.100 -0.020 0.000 1.166 141 Y CB 0.983 39.441 38.460 -0.003 0.000 1.249 141 Y HN 0.788 nan 8.280 nan 0.000 0.479 142 G N 0.347 109.266 108.800 0.198 0.000 2.685 142 G HA2 0.584 4.563 3.960 0.031 0.000 0.298 142 G HA3 0.584 4.563 3.960 0.031 0.000 0.298 142 G C -0.994 174.112 174.900 0.343 0.000 1.277 142 G CA -0.728 44.518 45.100 0.243 0.000 0.986 142 G HN 1.083 nan 8.290 nan 0.000 0.487 143 V N -1.724 118.461 119.914 0.453 0.000 2.863 143 V HA 0.477 4.616 4.120 0.031 0.000 0.307 143 V C 0.284 176.570 176.094 0.322 0.000 1.061 143 V CA -1.121 61.346 62.300 0.277 0.000 1.024 143 V CB 1.700 33.667 31.823 0.241 0.000 1.049 143 V HN 0.696 nan 8.190 nan 0.000 0.471 144 D N 3.066 123.597 120.400 0.219 0.000 2.455 144 D HA 0.129 4.787 4.640 0.031 0.000 0.241 144 D C -1.748 174.634 176.300 0.137 0.000 1.138 144 D CA -1.046 53.042 54.000 0.146 0.000 0.877 144 D CB 1.983 42.822 40.800 0.066 0.000 1.187 144 D HN 0.448 nan 8.370 nan 0.000 0.451 145 P HA -0.050 nan 4.420 nan 0.000 0.226 145 P C 0.449 177.639 177.300 -0.183 0.000 1.153 145 P CA 0.928 63.852 63.100 -0.293 0.000 0.777 145 P CB 0.491 31.847 31.700 -0.573 0.000 0.794 146 E N -1.462 118.602 120.200 -0.227 0.000 2.152 146 E HA -0.031 4.337 4.350 0.031 0.000 0.195 146 E C 1.960 178.246 176.600 -0.524 0.000 0.934 146 E CA 1.357 57.569 56.400 -0.313 0.000 0.869 146 E CB -1.000 28.599 29.700 -0.169 0.000 0.842 146 E HN 0.192 nan 8.360 nan 0.000 0.472 147 T N -2.637 111.728 114.554 -0.315 0.000 3.043 147 T HA -0.050 4.319 4.350 0.031 0.000 0.263 147 T C 0.186 174.790 174.700 -0.160 0.000 1.094 147 T CA 0.944 62.915 62.100 -0.214 0.000 1.127 147 T CB -0.414 68.424 68.868 -0.050 0.000 0.905 147 T HN 0.375 nan 8.240 nan 0.000 0.490 148 H N -0.843 118.281 119.070 0.090 0.000 3.047 148 H HA -0.104 4.471 4.556 0.031 0.000 0.263 148 H C -0.425 175.037 175.328 0.224 0.000 1.168 148 H CA 0.110 56.236 56.048 0.129 0.000 1.152 148 H CB -2.428 27.388 29.762 0.090 0.000 1.278 148 H HN 0.349 nan 8.280 nan 0.000 0.339 149 V N 1.391 121.472 119.914 0.278 0.000 2.567 149 V HA 0.144 4.283 4.120 0.031 0.000 0.289 149 V C 1.355 177.605 176.094 0.260 0.000 1.049 149 V CA -0.540 61.971 62.300 0.353 0.000 0.969 149 V CB 1.455 33.427 31.823 0.248 0.000 0.995 149 V HN 0.203 nan 8.190 nan 0.000 0.471 150 I N 3.449 124.131 120.570 0.187 0.000 2.996 150 I HA -0.087 4.102 4.170 0.031 0.000 0.310 150 I C 0.672 176.660 176.117 -0.215 0.000 1.225 150 I CA 0.649 61.859 61.300 -0.151 0.000 1.442 150 I CB 0.048 37.739 38.000 -0.515 0.000 1.334 150 I HN 0.650 nan 8.210 nan 0.000 0.550 151 D N 6.998 127.319 120.400 -0.132 0.000 2.393 151 D HA 0.049 4.708 4.640 0.031 0.000 0.232 151 D C 0.554 176.720 176.300 -0.224 0.000 1.192 151 D CA -0.067 53.891 54.000 -0.070 0.000 0.882 151 D CB 0.447 41.271 40.800 0.040 0.000 1.038 151 D HN 0.328 nan 8.370 nan 0.000 0.499 152 Y N 1.576 121.799 120.300 -0.129 0.000 2.421 152 Y HA -0.105 4.463 4.550 0.030 0.000 0.292 152 Y C 1.978 177.763 175.900 -0.193 0.000 1.136 152 Y CA 0.650 58.596 58.100 -0.258 0.000 1.255 152 Y CB 0.211 38.507 38.460 -0.272 0.000 0.991 152 Y HN 0.396 nan 8.280 nan 0.000 0.552 153 D N -0.184 120.224 120.400 0.013 0.000 2.178 153 D HA -0.167 4.491 4.640 0.031 0.000 0.202 153 D C 1.528 177.818 176.300 -0.016 0.000 0.974 153 D CA 1.427 55.424 54.000 -0.004 0.000 0.841 153 D CB -0.187 40.621 40.800 0.012 0.000 0.953 153 D HN 0.409 nan 8.370 nan 0.000 0.478 154 D N 0.407 120.797 120.400 -0.017 0.000 2.123 154 D HA -0.112 4.547 4.640 0.031 0.000 0.200 154 D C 2.160 178.459 176.300 -0.002 0.000 0.976 154 D CA 0.501 54.513 54.000 0.019 0.000 0.831 154 D CB 0.151 40.993 40.800 0.069 0.000 0.974 154 D HN -0.108 nan 8.370 nan 0.000 0.469 155 V N 0.667 120.496 119.914 -0.143 0.000 2.252 155 V HA -0.279 3.859 4.120 0.031 0.000 0.249 155 V C 2.644 178.667 176.094 -0.119 0.000 1.056 155 V CA 2.223 64.363 62.300 -0.267 0.000 1.022 155 V CB -0.663 30.726 31.823 -0.724 0.000 0.641 155 V HN 0.230 nan 8.190 nan 0.000 0.445 156 R N -0.089 120.346 120.500 -0.108 0.000 2.073 156 R HA -0.228 4.130 4.340 0.031 0.000 0.234 156 R C 2.442 178.735 176.300 -0.013 0.000 1.134 156 R CA 2.141 58.209 56.100 -0.053 0.000 0.952 156 R CB -0.309 29.963 30.300 -0.047 0.000 0.850 156 R HN 0.702 nan 8.270 nan 0.000 0.433 157 E N 0.158 120.357 120.200 -0.001 0.000 2.051 157 E HA -0.198 4.170 4.350 0.031 0.000 0.192 157 E C 1.603 178.222 176.600 0.031 0.000 0.991 157 E CA 1.115 57.521 56.400 0.010 0.000 0.799 157 E CB 0.176 29.885 29.700 0.015 0.000 0.748 157 E HN 0.156 nan 8.360 nan 0.000 0.449 158 K N 0.298 120.750 120.400 0.086 0.000 2.063 158 K HA -0.132 4.207 4.320 0.031 0.000 0.208 158 K C 2.095 178.806 176.600 0.185 0.000 1.048 158 K CA 1.124 57.529 56.287 0.198 0.000 0.928 158 K CB -0.476 32.167 32.500 0.240 0.000 0.713 158 K HN 0.204 nan 8.250 nan 0.000 0.442 159 A N 1.590 124.475 122.820 0.108 0.000 1.902 159 A HA -0.170 4.169 4.320 0.031 0.000 0.217 159 A C 2.239 179.852 177.584 0.048 0.000 1.181 159 A CA 1.415 53.501 52.037 0.082 0.000 0.623 159 A CB -0.363 18.667 19.000 0.051 0.000 0.818 159 A HN 0.261 nan 8.150 nan 0.000 0.443 160 R N -1.379 119.132 120.500 0.018 0.000 2.090 160 R HA 0.001 4.359 4.340 0.031 0.000 0.228 160 R C 2.093 178.371 176.300 -0.038 0.000 1.110 160 R CA 1.184 57.279 56.100 -0.008 0.000 0.973 160 R CB -0.393 29.898 30.300 -0.015 0.000 0.869 160 R HN 0.492 nan 8.270 nan 0.000 0.440 161 L N 0.042 121.218 121.223 -0.079 0.000 2.044 161 L HA -0.109 4.250 4.340 0.031 0.000 0.205 161 L C 1.808 178.533 176.870 -0.242 0.000 1.075 161 L CA 1.891 56.606 54.840 -0.207 0.000 0.747 161 L CB -0.305 41.543 42.059 -0.351 0.000 0.903 161 L HN 0.190 nan 8.230 nan 0.000 0.435 162 H N 0.095 119.164 119.070 -0.000 0.000 2.562 162 H HA 0.236 4.811 4.556 0.031 0.000 0.267 162 H C 0.028 175.346 175.328 -0.016 0.000 0.959 162 H CA 0.147 56.190 56.048 -0.008 0.000 1.204 162 H CB 0.271 30.028 29.762 -0.009 0.000 1.430 162 H HN 0.173 nan 8.280 nan 0.000 0.545 163 R N 0.498 121.045 120.500 0.079 0.000 3.205 163 R HA -0.101 4.258 4.340 0.031 0.000 0.249 163 R C -2.613 173.705 176.300 0.029 0.000 0.937 163 R CA 0.033 56.156 56.100 0.038 0.000 0.641 163 R CB -2.352 27.958 30.300 0.016 0.000 1.114 163 R HN 0.435 nan 8.270 nan 0.000 0.451 164 P HA 0.068 nan 4.420 nan 0.000 0.272 164 P C 0.630 177.920 177.300 -0.016 0.000 1.223 164 P CA -0.244 62.843 63.100 -0.021 0.000 0.784 164 P CB 0.869 32.551 31.700 -0.029 0.000 0.923 165 K N 1.333 121.710 120.400 -0.039 0.000 2.228 165 K HA 0.105 4.444 4.320 0.031 0.000 0.202 165 K C 0.502 177.143 176.600 0.068 0.000 1.051 165 K CA 0.674 56.967 56.287 0.011 0.000 0.960 165 K CB 0.122 32.620 32.500 -0.003 0.000 0.743 165 K HN 0.384 nan 8.250 nan 0.000 0.458 166 L N 1.599 122.816 121.223 -0.011 0.000 2.431 166 L HA 0.456 4.814 4.340 0.031 0.000 0.266 166 L C -1.427 175.448 176.870 0.008 0.000 0.978 166 L CA -0.799 54.059 54.840 0.030 0.000 0.822 166 L CB 1.962 43.974 42.059 -0.079 0.000 1.310 166 L HN -0.007 nan 8.230 nan 0.000 0.409 167 I N 4.294 124.929 120.570 0.108 0.000 2.404 167 I HA 0.396 4.584 4.170 0.031 0.000 0.293 167 I C -0.481 175.721 176.117 0.141 0.000 0.992 167 I CA -0.839 60.551 61.300 0.150 0.000 1.149 167 I CB 2.114 40.253 38.000 0.233 0.000 1.315 167 I HN 0.189 nan 8.210 nan 0.000 0.446 168 V N 5.491 125.480 119.914 0.125 0.000 2.398 168 V HA 0.695 4.833 4.120 0.031 0.000 0.286 168 V C 0.258 176.326 176.094 -0.043 0.000 1.026 168 V CA -0.409 61.899 62.300 0.014 0.000 0.868 168 V CB 1.428 33.211 31.823 -0.066 0.000 0.982 168 V HN 0.850 nan 8.190 nan 0.000 0.443 169 A N 4.106 126.783 122.820 -0.238 0.000 2.356 169 A HA 1.060 5.398 4.320 0.031 0.000 0.323 169 A C -0.020 177.483 177.584 -0.135 0.000 1.119 169 A CA 0.016 51.780 52.037 -0.454 0.000 0.790 169 A CB 1.602 19.912 19.000 -1.151 0.000 1.273 169 A HN 2.456 nan 8.150 nan 0.000 0.452 170 A N -0.833 121.989 122.820 0.004 0.000 2.435 170 A HA 0.577 4.916 4.320 0.031 0.000 0.686 170 A C -0.386 177.337 177.584 0.232 0.000 0.139 170 A CA -0.039 52.093 52.037 0.159 0.000 0.029 170 A CB -1.395 17.694 19.000 0.148 0.000 3.972 170 A HN 2.947 nan 8.150 nan 0.000 0.548 171 A N -0.444 122.523 122.820 0.246 0.000 2.606 171 A HA 0.941 5.280 4.320 0.031 0.000 0.293 171 A C 0.573 178.239 177.584 0.136 0.000 1.082 171 A CA 0.666 52.828 52.037 0.209 0.000 0.685 171 A CB 0.699 19.814 19.000 0.193 0.000 1.284 171 A HN 2.433 nan 8.150 nan 0.000 0.408 172 S N -0.542 115.192 115.700 0.058 0.000 2.524 172 S HA 0.489 4.977 4.470 0.031 0.000 0.215 172 S C 0.690 175.091 174.600 -0.332 0.000 0.986 172 S CA 0.734 58.856 58.200 -0.129 0.000 0.911 172 S CB 0.528 63.821 63.200 0.154 0.000 0.805 172 S HN 2.112 nan 8.310 nan 0.000 0.501 173 A N 0.468 123.220 122.820 -0.114 0.000 2.897 173 A HA 0.492 4.831 4.320 0.031 0.000 0.230 173 A C -0.845 176.767 177.584 0.046 0.000 0.896 173 A CA -0.419 51.564 52.037 -0.091 0.000 1.114 173 A CB -0.026 18.938 19.000 -0.061 0.000 1.230 173 A HN 0.431 nan 8.150 nan 0.000 0.481 174 Y N 1.872 122.132 120.300 -0.066 0.000 2.356 174 Y HA 0.539 5.107 4.550 0.030 0.000 0.334 174 Y C -2.182 173.720 175.900 0.003 0.000 0.958 174 Y CA -2.368 55.735 58.100 0.005 0.000 1.196 174 Y CB 2.068 40.573 38.460 0.074 0.000 1.137 174 Y HN 0.225 nan 8.280 nan 0.000 0.485 175 P HA 0.091 nan 4.420 nan 0.000 0.249 175 P C -0.255 176.831 177.300 -0.358 0.000 1.229 175 P CA 0.585 63.506 63.100 -0.299 0.000 0.788 175 P CB 0.500 32.077 31.700 -0.205 0.000 1.072 176 R N -0.134 119.932 120.500 -0.723 0.000 2.873 176 R HA 0.484 4.843 4.340 0.031 0.000 0.264 176 R C 0.412 176.642 176.300 -0.117 0.000 1.026 176 R CA -1.496 54.349 56.100 -0.426 0.000 1.002 176 R CB 0.685 30.737 30.300 -0.414 0.000 1.174 176 R HN 0.003 nan 8.270 nan 0.000 0.488 177 I N 2.109 122.690 120.570 0.019 0.000 2.710 177 I HA -0.005 4.184 4.170 0.031 0.000 0.286 177 I C 0.570 176.796 176.117 0.182 0.000 1.181 177 I CA 0.524 61.854 61.300 0.049 0.000 1.430 177 I CB 0.294 38.164 38.000 -0.218 0.000 1.367 177 I HN 0.235 nan 8.210 nan 0.000 0.577 178 I N 5.559 126.241 120.570 0.188 0.000 2.396 178 I HA 0.107 4.295 4.170 0.031 0.000 0.292 178 I C 0.183 176.064 176.117 -0.392 0.000 0.999 178 I CA -0.321 61.008 61.300 0.048 0.000 1.310 178 I CB 0.956 38.934 38.000 -0.037 0.000 1.404 178 I HN 0.488 nan 8.210 nan 0.000 0.496 179 D N 6.341 126.696 120.400 -0.074 0.000 2.468 179 D HA 0.151 4.810 4.640 0.031 0.000 0.218 179 D C 0.736 176.979 176.300 -0.095 0.000 1.155 179 D CA -0.080 53.769 54.000 -0.252 0.000 0.924 179 D CB 0.316 40.842 40.800 -0.457 0.000 1.029 179 D HN 0.343 nan 8.370 nan 0.000 0.515 180 F N 1.740 121.701 119.950 0.019 0.000 2.293 180 F HA -0.097 4.448 4.527 0.031 0.000 0.300 180 F C 2.503 178.118 175.800 -0.307 0.000 1.086 180 F CA 0.536 58.520 58.000 -0.025 0.000 1.375 180 F CB -0.061 38.922 39.000 -0.027 0.000 1.045 180 F HN 0.425 nan 8.300 nan 0.000 0.516 181 A N 0.647 123.112 122.820 -0.592 0.000 1.877 181 A HA -0.206 4.132 4.320 0.031 0.000 0.216 181 A C 2.211 179.697 177.584 -0.165 0.000 1.186 181 A CA 1.634 53.332 52.037 -0.565 0.000 0.620 181 A CB -0.555 18.145 19.000 -0.499 0.000 0.822 181 A HN 0.297 nan 8.150 nan 0.000 0.443 182 K N -1.526 118.757 120.400 -0.196 0.000 2.057 182 K HA -0.089 4.249 4.320 0.031 0.000 0.206 182 K C 1.699 178.251 176.600 -0.081 0.000 1.050 182 K CA 1.477 57.642 56.287 -0.203 0.000 0.935 182 K CB -0.362 31.844 32.500 -0.490 0.000 0.715 182 K HN 0.456 nan 8.250 nan 0.000 0.439 183 F N 1.275 121.250 119.950 0.041 0.000 2.126 183 F HA -0.221 4.325 4.527 0.032 0.000 0.299 183 F C 2.640 178.488 175.800 0.080 0.000 1.096 183 F CA 1.401 59.455 58.000 0.089 0.000 1.255 183 F CB -0.219 38.877 39.000 0.160 0.000 0.997 183 F HN -0.049 nan 8.300 nan 0.000 0.479 184 R N 0.857 121.516 120.500 0.264 0.000 2.075 184 R HA -0.155 4.203 4.340 0.031 0.000 0.232 184 R C 2.053 178.431 176.300 0.130 0.000 1.126 184 R CA 1.776 57.997 56.100 0.201 0.000 0.963 184 R CB -0.794 29.646 30.300 0.233 0.000 0.858 184 R HN 0.409 nan 8.270 nan 0.000 0.435 185 E N -0.176 120.073 120.200 0.080 0.000 2.058 185 E HA -0.201 4.168 4.350 0.031 0.000 0.194 185 E C 1.879 178.497 176.600 0.029 0.000 0.997 185 E CA 1.830 58.253 56.400 0.039 0.000 0.801 185 E CB -0.158 29.540 29.700 -0.004 0.000 0.746 185 E HN 0.429 nan 8.360 nan 0.000 0.450 186 I N 0.756 121.337 120.570 0.018 0.000 2.252 186 I HA -0.250 3.939 4.170 0.031 0.000 0.245 186 I C 2.595 178.741 176.117 0.049 0.000 1.102 186 I CA 0.948 62.252 61.300 0.007 0.000 1.385 186 I CB -0.350 37.621 38.000 -0.047 0.000 1.064 186 I HN 0.171 nan 8.210 nan 0.000 0.414 187 A N 0.691 123.571 122.820 0.100 0.000 1.883 187 A HA -0.274 4.065 4.320 0.031 0.000 0.217 187 A C 1.958 179.590 177.584 0.080 0.000 1.186 187 A CA 2.304 54.412 52.037 0.119 0.000 0.624 187 A CB -0.703 18.414 19.000 0.195 0.000 0.822 187 A HN 0.351 nan 8.150 nan 0.000 0.444 188 D N -0.797 119.651 120.400 0.080 0.000 2.149 188 D HA -0.158 4.500 4.640 0.031 0.000 0.198 188 D C 1.875 178.191 176.300 0.025 0.000 0.990 188 D CA 1.464 55.495 54.000 0.053 0.000 0.839 188 D CB -0.371 40.462 40.800 0.055 0.000 0.948 188 D HN 0.744 nan 8.370 nan 0.000 0.460 189 E N 0.298 120.512 120.200 0.022 0.000 2.110 189 E HA -0.137 4.232 4.350 0.031 0.000 0.193 189 E C 1.675 178.277 176.600 0.004 0.000 0.988 189 E CA 1.092 57.498 56.400 0.009 0.000 0.804 189 E CB 0.304 30.006 29.700 0.004 0.000 0.745 189 E HN 0.243 nan 8.360 nan 0.000 0.458 190 V N -3.529 116.390 119.914 0.009 0.000 3.578 190 V HA 0.435 4.573 4.120 0.031 0.000 0.290 190 V C 0.994 177.082 176.094 -0.010 0.000 1.376 190 V CA 0.323 62.625 62.300 0.003 0.000 1.083 190 V CB 0.091 31.922 31.823 0.014 0.000 0.911 190 V HN 0.243 nan 8.190 nan 0.000 0.433 191 G N 0.527 109.316 108.800 -0.019 0.000 2.273 191 G HA2 -0.006 3.972 3.960 0.031 0.000 0.280 191 G HA3 -0.006 3.972 3.960 0.031 0.000 0.280 191 G C 0.206 175.045 174.900 -0.102 0.000 1.047 191 G CA 0.433 45.497 45.100 -0.061 0.000 0.869 191 G HN 1.667 nan 8.290 nan 0.000 0.502 192 A N -0.598 122.186 122.820 -0.059 0.000 2.312 192 A HA 0.821 5.159 4.320 0.031 0.000 0.328 192 A C 0.040 177.579 177.584 -0.075 0.000 1.158 192 A CA -0.812 51.198 52.037 -0.044 0.000 0.821 192 A CB 0.855 19.882 19.000 0.044 0.000 1.170 192 A HN 0.540 nan 8.150 nan 0.000 0.490 193 Y N 0.150 120.421 120.300 -0.048 0.000 2.457 193 Y HA 0.326 4.895 4.550 0.031 0.000 0.341 193 Y C 0.330 176.336 175.900 0.177 0.000 1.240 193 Y CA 0.451 58.490 58.100 -0.101 0.000 1.437 193 Y CB 0.639 39.048 38.460 -0.085 0.000 1.328 193 Y HN 0.548 nan 8.280 nan 0.000 0.588 194 L N 5.090 126.675 121.223 0.603 0.000 2.305 194 L HA 0.493 4.851 4.340 0.031 0.000 0.284 194 L C -0.776 176.284 176.870 0.317 0.000 1.013 194 L CA -0.790 54.274 54.840 0.373 0.000 0.819 194 L CB 1.049 43.276 42.059 0.280 0.000 1.227 194 L HN 0.723 nan 8.230 nan 0.000 0.417 195 M N 5.824 125.560 119.600 0.226 0.000 2.227 195 M HA 0.587 5.086 4.480 0.031 0.000 0.335 195 M C -1.686 174.625 176.300 0.017 0.000 1.053 195 M CA -0.620 54.780 55.300 0.166 0.000 0.973 195 M CB 1.510 34.203 32.600 0.155 0.000 1.623 195 M HN 0.405 nan 8.290 nan 0.000 0.434 196 V N 4.309 124.190 119.914 -0.055 0.000 2.370 196 V HA 0.270 4.408 4.120 0.031 0.000 0.283 196 V C -0.573 175.452 176.094 -0.114 0.000 1.023 196 V CA -0.575 61.637 62.300 -0.146 0.000 0.857 196 V CB 1.510 33.107 31.823 -0.377 0.000 0.985 196 V HN 0.762 nan 8.190 nan 0.000 0.443 197 D N 5.702 126.066 120.400 -0.060 0.000 2.456 197 D HA 0.249 4.907 4.640 0.031 0.000 0.219 197 D C 0.774 177.078 176.300 0.006 0.000 1.126 197 D CA -0.451 53.544 54.000 -0.008 0.000 0.890 197 D CB 1.118 41.996 40.800 0.130 0.000 1.025 197 D HN 0.611 nan 8.370 nan 0.000 0.511 198 M N 1.622 121.180 119.600 -0.070 0.000 2.530 198 M HA 0.360 4.859 4.480 0.031 0.000 0.231 198 M C 1.383 177.651 176.300 -0.053 0.000 1.180 198 M CA -0.354 54.913 55.300 -0.055 0.000 0.985 198 M CB 0.666 33.185 32.600 -0.136 0.000 1.623 198 M HN 0.129 nan 8.290 nan 0.000 0.475 199 A N 1.253 124.036 122.820 -0.062 0.000 1.896 199 A HA -0.247 4.091 4.320 0.031 0.000 0.220 199 A C 2.118 179.629 177.584 -0.122 0.000 1.206 199 A CA 2.163 54.123 52.037 -0.128 0.000 0.647 199 A CB -1.409 17.487 19.000 -0.174 0.000 0.828 199 A HN 0.752 nan 8.150 nan 0.000 0.455 200 H N -0.434 118.602 119.070 -0.056 0.000 2.423 200 H HA -0.040 4.535 4.556 0.033 0.000 0.297 200 H C 1.851 177.077 175.328 -0.170 0.000 1.075 200 H CA 1.787 57.820 56.048 -0.025 0.000 1.342 200 H CB -0.009 29.854 29.762 0.168 0.000 1.395 200 H HN 0.729 nan 8.280 nan 0.000 0.530 201 I N -2.863 117.712 120.570 0.009 0.000 3.976 201 I HA 0.341 4.529 4.170 0.031 0.000 0.337 201 I C 2.178 178.290 176.117 -0.008 0.000 1.359 201 I CA 0.207 61.472 61.300 -0.059 0.000 1.098 201 I CB 0.166 38.097 38.000 -0.115 0.000 1.027 201 I HN -0.094 nan 8.210 nan 0.000 0.394 202 A N 2.238 125.060 122.820 0.005 0.000 1.940 202 A HA -0.070 4.268 4.320 0.031 0.000 0.219 202 A C 2.341 180.099 177.584 0.290 0.000 1.176 202 A CA 2.049 54.153 52.037 0.111 0.000 0.631 202 A CB -1.386 17.630 19.000 0.027 0.000 0.814 202 A HN 0.542 nan 8.150 nan 0.000 0.446 203 G N -0.193 108.749 108.800 0.236 0.000 2.418 203 G HA2 -0.138 3.840 3.960 0.031 0.000 0.217 203 G HA3 -0.138 3.840 3.960 0.031 0.000 0.217 203 G C 1.531 176.637 174.900 0.343 0.000 1.158 203 G CA 1.021 46.367 45.100 0.411 0.000 0.771 203 G HN 0.458 nan 8.290 nan 0.000 0.545 204 L N 0.236 121.566 121.223 0.179 0.000 2.056 204 L HA -0.061 4.297 4.340 0.031 0.000 0.207 204 L C 2.957 179.966 176.870 0.232 0.000 1.078 204 L CA 0.389 55.325 54.840 0.159 0.000 0.749 204 L CB -0.759 41.384 42.059 0.140 0.000 0.901 204 L HN 0.061 nan 8.230 nan 0.000 0.433 205 V N 0.615 120.693 119.914 0.274 0.000 2.287 205 V HA -0.323 3.816 4.120 0.031 0.000 0.248 205 V C 2.865 179.122 176.094 0.272 0.000 1.053 205 V CA 1.965 64.465 62.300 0.332 0.000 1.027 205 V CB -0.941 31.106 31.823 0.374 0.000 0.646 205 V HN 0.495 nan 8.190 nan 0.000 0.447 206 A N -0.214 122.750 122.820 0.239 0.000 1.978 206 A HA -0.107 4.232 4.320 0.031 0.000 0.220 206 A C 2.174 179.794 177.584 0.059 0.000 1.170 206 A CA 2.066 54.051 52.037 -0.087 0.000 0.636 206 A CB -0.575 18.291 19.000 -0.224 0.000 0.810 206 A HN 0.647 nan 8.150 nan 0.000 0.448 207 A N -1.900 121.038 122.820 0.196 0.000 2.275 207 A HA 0.437 4.775 4.320 0.031 0.000 0.212 207 A C 1.665 179.315 177.584 0.111 0.000 1.201 207 A CA 1.058 53.198 52.037 0.171 0.000 0.843 207 A CB -0.919 18.171 19.000 0.150 0.000 0.873 207 A HN 1.903 nan 8.150 nan 0.000 0.492 208 G N -0.850 108.023 108.800 0.121 0.000 2.176 208 G HA2 -0.239 3.740 3.960 0.031 0.000 0.252 208 G HA3 -0.239 3.740 3.960 0.031 0.000 0.252 208 G C 0.496 175.463 174.900 0.111 0.000 1.024 208 G CA 0.572 45.739 45.100 0.112 0.000 0.755 208 G HN 0.542 nan 8.290 nan 0.000 0.507 209 L N -0.577 120.726 121.223 0.134 0.000 2.693 209 L HA 0.374 4.732 4.340 0.031 0.000 0.235 209 L C 0.881 177.857 176.870 0.175 0.000 1.127 209 L CA -0.228 54.682 54.840 0.116 0.000 0.914 209 L CB 0.318 42.424 42.059 0.079 0.000 1.193 209 L HN 0.418 nan 8.230 nan 0.000 0.502 210 H N 0.506 119.653 119.070 0.129 0.000 2.806 210 H HA 0.364 4.939 4.556 0.031 0.000 0.367 210 H C -2.705 172.745 175.328 0.204 0.000 1.136 210 H CA -1.819 54.324 56.048 0.158 0.000 1.178 210 H CB 2.794 32.672 29.762 0.194 0.000 1.718 210 H HN -0.247 nan 8.280 nan 0.000 0.540 211 P HA -0.057 nan 4.420 nan 0.000 0.265 211 P C -0.206 177.447 177.300 0.588 0.000 1.187 211 P CA 0.129 63.401 63.100 0.286 0.000 0.766 211 P CB 0.497 32.280 31.700 0.138 0.000 0.820 212 N N 3.973 122.936 118.700 0.439 0.000 2.430 212 N HA 0.093 4.852 4.740 0.031 0.000 0.265 212 N C -1.504 174.190 175.510 0.307 0.000 1.100 212 N CA -2.190 51.069 53.050 0.349 0.000 0.961 212 N CB 0.438 39.069 38.487 0.240 0.000 1.075 212 N HN 0.223 nan 8.380 nan 0.000 0.478 213 P HA -0.056 nan 4.420 nan 0.000 0.229 213 P C 1.348 178.571 177.300 -0.130 0.000 1.160 213 P CA 0.352 63.186 63.100 -0.444 0.000 0.777 213 P CB 0.506 31.506 31.700 -1.166 0.000 0.814 214 V N 2.011 121.878 119.914 -0.078 0.000 2.278 214 V HA -0.179 3.960 4.120 0.031 0.000 0.251 214 V C -0.258 175.780 176.094 -0.095 0.000 1.062 214 V CA 2.696 64.953 62.300 -0.072 0.000 1.038 214 V CB -2.556 29.256 31.823 -0.018 0.000 0.646 214 V HN 0.218 nan 8.190 nan 0.000 0.447 215 P HA -0.078 nan 4.420 nan 0.000 0.226 215 P C 0.821 177.869 177.300 -0.420 0.000 1.153 215 P CA 1.346 64.254 63.100 -0.319 0.000 0.777 215 P CB -0.053 31.358 31.700 -0.482 0.000 0.794 216 Y N -1.129 119.143 120.300 -0.047 0.000 2.535 216 Y HA 0.439 5.007 4.550 0.030 0.000 0.266 216 Y C 1.355 177.179 175.900 -0.127 0.000 1.088 216 Y CA -0.328 57.749 58.100 -0.039 0.000 1.285 216 Y CB -0.369 38.141 38.460 0.083 0.000 1.166 216 Y HN -0.216 nan 8.280 nan 0.000 0.525 217 A N -0.429 122.374 122.820 -0.029 0.000 2.306 217 A HA 0.357 4.696 4.320 0.031 0.000 0.314 217 A C -0.024 177.425 177.584 -0.225 0.000 1.164 217 A CA -0.382 51.592 52.037 -0.105 0.000 0.822 217 A CB 0.250 19.190 19.000 -0.100 0.000 1.130 217 A HN 0.477 nan 8.150 nan 0.000 0.496 218 H N 0.931 119.897 119.070 -0.172 0.000 2.389 218 H HA 0.095 4.669 4.556 0.030 0.000 0.299 218 H C -0.660 174.132 175.328 -0.893 0.000 1.081 218 H CA 2.108 57.835 56.048 -0.536 0.000 1.345 218 H CB -0.041 29.215 29.762 -0.845 0.000 1.393 218 H HN 0.585 nan 8.280 nan 0.000 0.520 219 F N -0.518 119.446 119.950 0.024 0.000 2.569 219 F HA 0.471 5.016 4.527 0.030 0.000 0.312 219 F C -0.903 174.845 175.800 -0.086 0.000 1.109 219 F CA -1.217 56.751 58.000 -0.054 0.000 0.919 219 F CB 1.906 40.834 39.000 -0.120 0.000 1.211 219 F HN -0.342 nan 8.300 nan 0.000 0.446 220 V N 1.768 121.712 119.914 0.051 0.000 2.448 220 V HA 0.605 4.744 4.120 0.031 0.000 0.295 220 V C -0.218 175.822 176.094 -0.090 0.000 1.025 220 V CA -0.693 61.558 62.300 -0.081 0.000 0.859 220 V CB 1.939 33.649 31.823 -0.188 0.000 0.988 220 V HN 0.889 nan 8.190 nan 0.000 0.431 221 T N 0.774 115.265 114.554 -0.104 0.000 2.945 221 T HA 0.831 5.199 4.350 0.031 0.000 0.286 221 T C -0.332 174.280 174.700 -0.146 0.000 1.025 221 T CA -0.683 61.349 62.100 -0.113 0.000 1.039 221 T CB 2.111 70.919 68.868 -0.099 0.000 1.068 221 T HN 0.724 nan 8.240 nan 0.000 0.497 222 T N 0.643 115.112 114.554 -0.143 0.000 2.830 222 T HA 0.567 4.935 4.350 0.031 0.000 0.322 222 T C -0.653 173.966 174.700 -0.134 0.000 1.501 222 T CA -0.465 61.539 62.100 -0.160 0.000 1.036 222 T CB 1.370 70.104 68.868 -0.223 0.000 1.379 222 T HN 1.167 nan 8.240 nan 0.000 0.493 223 T N 0.446 114.883 114.554 -0.195 0.000 2.904 223 T HA 0.388 4.757 4.350 0.031 0.000 0.290 223 T C 1.613 176.228 174.700 -0.142 0.000 1.018 223 T CA 0.200 62.145 62.100 -0.257 0.000 1.075 223 T CB 0.985 69.421 68.868 -0.719 0.000 0.986 223 T HN 0.770 nan 8.240 nan 0.000 0.523 224 T N -1.922 112.636 114.554 0.007 0.000 3.054 224 T HA 0.013 4.381 4.350 0.031 0.000 0.259 224 T C 1.089 175.852 174.700 0.106 0.000 1.092 224 T CA 0.264 62.443 62.100 0.131 0.000 1.121 224 T CB -0.563 68.403 68.868 0.164 0.000 0.912 224 T HN 0.905 nan 8.240 nan 0.000 0.489 225 H N 1.291 120.363 119.070 0.003 0.000 2.509 225 H HA 0.595 5.171 4.556 0.034 0.000 0.360 225 H C 0.453 175.756 175.328 -0.042 0.000 1.398 225 H CA -0.453 55.583 56.048 -0.020 0.000 1.429 225 H CB 0.655 30.391 29.762 -0.043 0.000 1.611 225 H HN 0.204 nan 8.280 nan 0.000 0.606 226 K N -1.962 118.421 120.400 -0.028 0.000 7.254 226 K HA -0.214 4.125 4.320 0.031 0.000 0.294 226 K C 1.490 178.065 176.600 -0.043 0.000 1.646 226 K CA 1.003 57.209 56.287 -0.135 0.000 0.925 226 K CB -1.850 30.435 32.500 -0.358 0.000 0.838 226 K HN 0.785 nan 8.250 nan 0.000 0.426 227 T N 0.193 114.691 114.554 -0.092 0.000 2.881 227 T HA -0.098 4.271 4.350 0.031 0.000 0.270 227 T C 1.731 176.590 174.700 0.265 0.000 1.068 227 T CA 1.638 63.750 62.100 0.021 0.000 1.131 227 T CB -0.085 68.691 68.868 -0.154 0.000 0.871 227 T HN 0.331 nan 8.240 nan 0.000 0.479 228 L N 1.159 122.507 121.223 0.208 0.000 2.362 228 L HA 0.286 4.645 4.340 0.031 0.000 0.219 228 L C 1.665 178.677 176.870 0.236 0.000 1.134 228 L CA 1.147 56.149 54.840 0.269 0.000 0.807 228 L CB -1.116 41.064 42.059 0.201 0.000 0.927 228 L HN 0.462 nan 8.230 nan 0.000 0.447 229 R N -1.220 119.405 120.500 0.209 0.000 3.651 229 R HA -0.151 4.208 4.340 0.031 0.000 0.292 229 R C 0.517 176.869 176.300 0.087 0.000 1.161 229 R CA 0.397 56.593 56.100 0.161 0.000 0.787 229 R CB -1.797 28.640 30.300 0.229 0.000 1.249 229 R HN 0.568 nan 8.270 nan 0.000 0.476 230 G N 0.186 109.035 108.800 0.083 0.000 2.642 230 G HA2 0.652 4.630 3.960 0.031 0.000 0.291 230 G HA3 0.652 4.630 3.960 0.031 0.000 0.291 230 G C -2.494 172.427 174.900 0.035 0.000 1.345 230 G CA -0.993 44.123 45.100 0.026 0.000 1.043 230 G HN 0.122 nan 8.290 nan 0.000 0.528 231 P HA 0.149 nan 4.420 nan 0.000 0.272 231 P C -0.485 176.817 177.300 0.004 0.000 1.240 231 P CA -0.472 62.608 63.100 -0.033 0.000 0.791 231 P CB 0.959 32.609 31.700 -0.083 0.000 0.978 232 R N 0.369 120.809 120.500 -0.100 0.000 2.370 232 R HA 0.483 4.841 4.340 0.031 0.000 0.309 232 R C 0.420 176.693 176.300 -0.046 0.000 1.059 232 R CA 0.749 56.699 56.100 -0.250 0.000 0.981 232 R CB -0.591 29.471 30.300 -0.398 0.000 0.972 232 R HN 0.851 nan 8.270 nan 0.000 0.437 233 G N 1.321 110.222 108.800 0.169 0.000 2.320 233 G HA2 0.407 4.385 3.960 0.031 0.000 0.296 233 G HA3 0.407 4.385 3.960 0.031 0.000 0.296 233 G C -1.304 173.689 174.900 0.155 0.000 1.306 233 G CA -0.405 44.769 45.100 0.123 0.000 0.836 233 G HN 0.784 nan 8.290 nan 0.000 0.517 234 G N -1.386 107.463 108.800 0.082 0.000 2.714 234 G HA2 0.838 4.816 3.960 0.031 0.000 0.292 234 G HA3 0.838 4.816 3.960 0.031 0.000 0.292 234 G C -0.855 174.069 174.900 0.040 0.000 1.308 234 G CA -0.350 44.775 45.100 0.041 0.000 0.964 234 G HN 1.243 nan 8.290 nan 0.000 0.484 235 M N -0.178 119.425 119.600 0.006 0.000 2.490 235 M HA 0.606 5.105 4.480 0.031 0.000 0.286 235 M C -2.139 174.133 176.300 -0.047 0.000 1.185 235 M CA -0.629 54.674 55.300 0.005 0.000 0.912 235 M CB 2.146 34.771 32.600 0.042 0.000 1.744 235 M HN 0.405 nan 8.290 nan 0.000 0.494 236 I N 4.434 124.985 120.570 -0.032 0.000 2.509 236 I HA 0.521 4.709 4.170 0.031 0.000 0.293 236 I C -1.262 174.838 176.117 -0.027 0.000 1.020 236 I CA -0.715 60.570 61.300 -0.025 0.000 1.088 236 I CB 2.019 40.032 38.000 0.022 0.000 1.267 236 I HN 0.595 nan 8.210 nan 0.000 0.430 237 L N 6.005 127.207 121.223 -0.035 0.000 2.346 237 L HA 0.824 5.182 4.340 0.031 0.000 0.274 237 L C -0.589 176.328 176.870 0.079 0.000 1.007 237 L CA -0.617 54.211 54.840 -0.020 0.000 0.818 237 L CB 1.931 43.919 42.059 -0.118 0.000 1.284 237 L HN 0.819 nan 8.230 nan 0.000 0.424 238 C N -0.317 119.066 119.300 0.138 0.000 3.306 238 C HA 0.411 4.889 4.460 0.031 0.000 0.335 238 C C -0.677 174.420 174.990 0.177 0.000 1.382 238 C CA -1.007 58.120 59.018 0.182 0.000 1.254 238 C CB 1.729 29.669 27.740 0.333 0.000 1.555 238 C HN 0.876 nan 8.230 nan 0.000 0.463 239 Q N 0.695 120.595 119.800 0.167 0.000 2.368 239 Q HA 0.142 4.500 4.340 0.031 0.000 0.237 239 Q C 1.232 177.247 176.000 0.025 0.000 0.987 239 Q CA 0.095 55.939 55.803 0.068 0.000 0.896 239 Q CB 0.890 29.626 28.738 -0.003 0.000 1.241 239 Q HN 0.896 nan 8.270 nan 0.000 0.485 240 E N 1.217 121.399 120.200 -0.030 0.000 2.147 240 E HA -0.302 4.066 4.350 0.031 0.000 0.199 240 E C 1.550 178.052 176.600 -0.163 0.000 1.005 240 E CA 1.627 57.979 56.400 -0.080 0.000 0.810 240 E CB 0.232 29.892 29.700 -0.067 0.000 0.736 240 E HN 0.594 nan 8.360 nan 0.000 0.460 241 Q N -0.794 118.843 119.800 -0.271 0.000 2.291 241 Q HA -0.160 4.199 4.340 0.031 0.000 0.206 241 Q C 1.300 177.026 176.000 -0.457 0.000 0.976 241 Q CA 1.188 56.736 55.803 -0.425 0.000 0.875 241 Q CB -0.344 28.031 28.738 -0.606 0.000 0.927 241 Q HN 0.371 nan 8.270 nan 0.000 0.450 242 F N 0.295 120.245 119.950 0.000 0.000 2.678 242 F HA 0.453 4.998 4.527 0.030 0.000 0.305 242 F C 2.191 177.989 175.800 -0.004 0.000 1.090 242 F CA -0.251 57.787 58.000 0.063 0.000 1.272 242 F CB -0.206 38.908 39.000 0.189 0.000 1.060 242 F HN 0.066 nan 8.300 nan 0.000 0.576 243 A N 0.773 123.564 122.820 -0.049 0.000 1.892 243 A HA -0.267 4.071 4.320 0.031 0.000 0.218 243 A C 2.372 179.772 177.584 -0.305 0.000 1.188 243 A CA 2.130 53.897 52.037 -0.450 0.000 0.631 243 A CB -0.641 17.815 19.000 -0.905 0.000 0.822 243 A HN 0.327 nan 8.150 nan 0.000 0.447 244 K N -0.858 119.437 120.400 -0.175 0.000 2.026 244 K HA -0.193 4.146 4.320 0.031 0.000 0.208 244 K C 2.338 178.930 176.600 -0.013 0.000 1.048 244 K CA 1.638 57.867 56.287 -0.097 0.000 0.929 244 K CB -0.219 32.248 32.500 -0.055 0.000 0.713 244 K HN 0.598 nan 8.250 nan 0.000 0.439 245 Q N 0.128 119.956 119.800 0.047 0.000 2.084 245 Q HA -0.143 4.216 4.340 0.031 0.000 0.202 245 Q C 2.148 178.199 176.000 0.086 0.000 0.978 245 Q CA 1.050 56.901 55.803 0.081 0.000 0.844 245 Q CB 0.029 28.840 28.738 0.122 0.000 0.898 245 Q HN 0.378 nan 8.270 nan 0.000 0.426 246 I N 1.415 122.049 120.570 0.107 0.000 2.179 246 I HA -0.253 3.935 4.170 0.031 0.000 0.242 246 I C 1.704 177.889 176.117 0.114 0.000 1.088 246 I CA 1.417 62.782 61.300 0.109 0.000 1.357 246 I CB -1.047 37.066 38.000 0.189 0.000 1.051 246 I HN 0.172 nan 8.210 nan 0.000 0.409 247 D N 0.992 121.427 120.400 0.059 0.000 2.123 247 D HA -0.180 4.478 4.640 0.031 0.000 0.196 247 D C 2.210 178.640 176.300 0.215 0.000 0.992 247 D CA 1.214 55.216 54.000 0.004 0.000 0.833 247 D CB -0.134 40.401 40.800 -0.441 0.000 0.954 247 D HN 0.331 nan 8.370 nan 0.000 0.455 248 K N 0.375 120.867 120.400 0.153 0.000 2.148 248 K HA 0.014 4.352 4.320 0.031 0.000 0.204 248 K C 2.082 178.791 176.600 0.181 0.000 1.050 248 K CA 0.887 57.281 56.287 0.177 0.000 0.942 248 K CB 0.008 32.580 32.500 0.120 0.000 0.724 248 K HN 0.023 nan 8.250 nan 0.000 0.446 249 A N 1.583 124.520 122.820 0.195 0.000 1.902 249 A HA -0.152 4.187 4.320 0.031 0.000 0.217 249 A C 2.047 179.700 177.584 0.116 0.000 1.181 249 A CA 1.156 53.350 52.037 0.261 0.000 0.623 249 A CB -0.353 18.791 19.000 0.240 0.000 0.818 249 A HN 0.087 nan 8.150 nan 0.000 0.443 250 I N -2.663 117.989 120.570 0.138 0.000 2.202 250 I HA 0.028 4.216 4.170 0.031 0.000 0.242 250 I C 0.547 176.757 176.117 0.153 0.000 1.091 250 I CA 1.311 62.676 61.300 0.108 0.000 1.368 250 I CB -0.554 37.547 38.000 0.168 0.000 1.058 250 I HN 0.341 nan 8.210 nan 0.000 0.410 251 F N 2.272 122.279 119.950 0.095 0.000 2.588 251 F HA 0.405 4.952 4.527 0.033 0.000 0.318 251 F C -2.235 173.641 175.800 0.127 0.000 1.155 251 F CA -1.828 56.189 58.000 0.029 0.000 0.967 251 F CB 1.998 40.941 39.000 -0.094 0.000 1.236 251 F HN -0.238 nan 8.300 nan 0.000 0.455 252 P HA 0.181 nan 4.420 nan 0.000 0.256 252 P C 0.915 177.951 177.300 -0.439 0.000 1.384 252 P CA 0.498 62.920 63.100 -1.131 0.000 0.879 252 P CB 0.329 31.450 31.700 -0.964 0.000 1.403 253 G N 2.170 110.848 108.800 -0.204 0.000 2.505 253 G HA2 -0.185 3.794 3.960 0.031 0.000 0.214 253 G HA3 -0.185 3.794 3.960 0.031 0.000 0.214 253 G C 1.284 175.899 174.900 -0.475 0.000 1.237 253 G CA 1.034 46.005 45.100 -0.215 0.000 0.802 253 G HN 0.429 nan 8.290 nan 0.000 0.549 254 I N -3.405 116.940 120.570 -0.375 0.000 4.312 254 I HA 0.421 4.609 4.170 0.031 0.000 0.324 254 I C 0.728 176.738 176.117 -0.179 0.000 1.298 254 I CA -0.161 60.920 61.300 -0.365 0.000 1.231 254 I CB 0.472 38.233 38.000 -0.399 0.000 1.152 254 I HN 0.050 nan 8.210 nan 0.000 0.421 255 Q N 1.068 120.819 119.800 -0.083 0.000 2.418 255 Q HA 0.629 4.987 4.340 0.031 0.000 0.276 255 Q C 0.029 176.139 176.000 0.183 0.000 1.081 255 Q CA -0.420 55.391 55.803 0.013 0.000 0.864 255 Q CB 2.265 30.925 28.738 -0.131 0.000 1.384 255 Q HN 0.290 nan 8.270 nan 0.000 0.467 256 G N -0.380 108.545 108.800 0.209 0.000 3.441 256 G HA2 0.438 4.416 3.960 0.031 0.000 0.195 256 G HA3 0.438 4.416 3.960 0.031 0.000 0.195 256 G C -0.187 174.748 174.900 0.059 0.000 1.633 256 G CA -0.157 45.101 45.100 0.264 0.000 0.895 256 G HN 0.584 nan 8.290 nan 0.000 0.654 257 G N 1.747 110.604 108.800 0.096 0.000 2.340 257 G HA2 0.476 4.455 3.960 0.031 0.000 0.245 257 G HA3 0.476 4.455 3.960 0.031 0.000 0.245 257 G C -2.034 172.815 174.900 -0.085 0.000 1.294 257 G CA -0.309 44.747 45.100 -0.074 0.000 0.896 257 G HN 0.394 nan 8.290 nan 0.000 0.522 258 P HA 0.202 nan 4.420 nan 0.000 0.276 258 P C -0.189 177.084 177.300 -0.045 0.000 1.252 258 P CA -0.528 62.532 63.100 -0.066 0.000 0.802 258 P CB 1.268 32.870 31.700 -0.163 0.000 1.035 259 L N 2.189 123.407 121.223 -0.009 0.000 2.328 259 L HA 0.161 4.520 4.340 0.031 0.000 0.280 259 L C 1.780 178.547 176.870 -0.172 0.000 1.111 259 L CA -0.534 54.233 54.840 -0.122 0.000 0.909 259 L CB 0.023 41.923 42.059 -0.265 0.000 1.277 259 L HN 0.221 nan 8.230 nan 0.000 0.433 260 M N 1.376 120.972 119.600 -0.008 0.000 2.159 260 M HA -0.147 4.351 4.480 0.031 0.000 0.263 260 M C 2.391 178.700 176.300 0.016 0.000 1.063 260 M CA 1.538 56.840 55.300 0.004 0.000 1.110 260 M CB -1.093 31.525 32.600 0.029 0.000 1.374 260 M HN 0.639 nan 8.290 nan 0.000 0.411 261 H N -0.693 118.342 119.070 -0.058 0.000 2.387 261 H HA 0.018 4.582 4.556 0.012 0.000 0.299 261 H C 2.091 177.385 175.328 -0.057 0.000 1.090 261 H CA 1.483 57.499 56.048 -0.053 0.000 1.332 261 H CB -1.431 28.299 29.762 -0.054 0.000 1.386 261 H HN 0.252 nan 8.280 nan 0.000 0.516 262 V N 1.623 121.216 119.914 -0.535 0.000 2.453 262 V HA -0.163 3.976 4.120 0.031 0.000 0.247 262 V C 2.974 178.944 176.094 -0.206 0.000 1.048 262 V CA 1.365 63.462 62.300 -0.340 0.000 1.049 262 V CB -0.551 31.051 31.823 -0.368 0.000 0.672 262 V HN 0.243 nan 8.190 nan 0.000 0.457 263 I N 0.691 121.157 120.570 -0.172 0.000 2.286 263 I HA -0.248 3.940 4.170 0.031 0.000 0.248 263 I C 2.693 178.737 176.117 -0.122 0.000 1.115 263 I CA 1.426 62.654 61.300 -0.119 0.000 1.392 263 I CB -0.575 37.384 38.000 -0.068 0.000 1.065 263 I HN 0.295 nan 8.210 nan 0.000 0.418 264 A N 0.884 123.652 122.820 -0.088 0.000 1.883 264 A HA -0.227 4.112 4.320 0.031 0.000 0.217 264 A C 2.562 180.075 177.584 -0.117 0.000 1.186 264 A CA 2.058 54.053 52.037 -0.071 0.000 0.624 264 A CB -0.910 18.075 19.000 -0.024 0.000 0.822 264 A HN 0.439 nan 8.150 nan 0.000 0.444 265 A N -0.370 122.374 122.820 -0.128 0.000 1.933 265 A HA -0.174 4.164 4.320 0.031 0.000 0.218 265 A C 2.098 179.526 177.584 -0.260 0.000 1.175 265 A CA 1.863 53.810 52.037 -0.149 0.000 0.628 265 A CB -0.431 18.497 19.000 -0.119 0.000 0.814 265 A HN 0.579 nan 8.150 nan 0.000 0.444 266 K N -0.285 119.906 120.400 -0.348 0.000 2.026 266 K HA -0.089 4.250 4.320 0.031 0.000 0.208 266 K C 2.364 178.349 176.600 -1.026 0.000 1.048 266 K CA 1.172 57.030 56.287 -0.715 0.000 0.929 266 K CB -0.387 31.761 32.500 -0.588 0.000 0.713 266 K HN 0.435 nan 8.250 nan 0.000 0.439 267 A N 1.200 123.711 122.820 -0.515 0.000 1.892 267 A HA -0.171 4.168 4.320 0.031 0.000 0.218 267 A C 2.420 179.880 177.584 -0.207 0.000 1.188 267 A CA 1.797 53.675 52.037 -0.266 0.000 0.631 267 A CB -0.878 18.068 19.000 -0.091 0.000 0.822 267 A HN 0.087 nan 8.150 nan 0.000 0.447 268 V N -0.157 119.642 119.914 -0.193 0.000 2.255 268 V HA -0.286 3.853 4.120 0.031 0.000 0.247 268 V C 3.074 179.089 176.094 -0.132 0.000 1.051 268 V CA 2.133 64.359 62.300 -0.122 0.000 1.018 268 V CB -1.402 30.363 31.823 -0.095 0.000 0.641 268 V HN 0.645 nan 8.190 nan 0.000 0.445 269 A N -0.444 122.246 122.820 -0.216 0.000 1.908 269 A HA -0.198 4.141 4.320 0.031 0.000 0.218 269 A C 2.142 179.690 177.584 -0.061 0.000 1.181 269 A CA 1.987 53.925 52.037 -0.165 0.000 0.627 269 A CB -0.785 18.098 19.000 -0.195 0.000 0.818 269 A HN 0.555 nan 8.150 nan 0.000 0.445 270 F N -0.051 119.834 119.950 -0.109 0.000 2.146 270 F HA -0.088 4.465 4.527 0.043 0.000 0.298 270 F C 2.744 178.454 175.800 -0.149 0.000 1.096 270 F CA 0.236 58.154 58.000 -0.138 0.000 1.275 270 F CB -0.612 38.344 39.000 -0.073 0.000 1.008 270 F HN 0.365 nan 8.300 nan 0.000 0.480 271 G N 0.348 109.189 108.800 0.068 0.000 2.476 271 G HA2 -0.260 3.719 3.960 0.031 0.000 0.218 271 G HA3 -0.260 3.719 3.960 0.031 0.000 0.218 271 G C 1.381 176.268 174.900 -0.021 0.000 1.164 271 G CA 1.006 46.114 45.100 0.013 0.000 0.768 271 G HN 0.350 nan 8.290 nan 0.000 0.560 272 E N 0.466 120.638 120.200 -0.046 0.000 2.077 272 E HA -0.036 4.332 4.350 0.031 0.000 0.193 272 E C 2.879 179.408 176.600 -0.119 0.000 0.989 272 E CA 0.800 57.171 56.400 -0.049 0.000 0.800 272 E CB -0.190 29.484 29.700 -0.043 0.000 0.746 272 E HN 0.428 nan 8.360 nan 0.000 0.452 273 A N 0.802 123.417 122.820 -0.342 0.000 2.067 273 A HA -0.074 4.264 4.320 0.031 0.000 0.219 273 A C 2.055 179.490 177.584 -0.248 0.000 1.158 273 A CA 0.704 52.305 52.037 -0.725 0.000 0.661 273 A CB -0.346 18.124 19.000 -0.883 0.000 0.801 273 A HN 0.132 nan 8.150 nan 0.000 0.452 274 L N -0.515 120.631 121.223 -0.129 0.000 2.395 274 L HA -0.060 4.298 4.340 0.031 0.000 0.218 274 L C 0.959 177.835 176.870 0.010 0.000 1.130 274 L CA 0.219 55.023 54.840 -0.059 0.000 0.826 274 L CB -0.235 41.795 42.059 -0.048 0.000 0.941 274 L HN 0.479 nan 8.230 nan 0.000 0.451 275 Q N -0.195 119.632 119.800 0.045 0.000 2.354 275 Q HA -0.015 4.344 4.340 0.031 0.000 0.244 275 Q C 0.436 176.510 176.000 0.124 0.000 0.969 275 Q CA -0.572 55.278 55.803 0.079 0.000 0.885 275 Q CB 0.967 29.755 28.738 0.084 0.000 1.241 275 Q HN 0.029 nan 8.270 nan 0.000 0.461 276 D N 1.500 121.956 120.400 0.094 0.000 2.149 276 D HA -0.186 4.472 4.640 0.031 0.000 0.198 276 D C 1.273 177.644 176.300 0.119 0.000 0.990 276 D CA 1.579 55.635 54.000 0.095 0.000 0.839 276 D CB -0.118 40.720 40.800 0.064 0.000 0.948 276 D HN 0.650 nan 8.370 nan 0.000 0.460 277 D N -0.062 120.412 120.400 0.124 0.000 2.219 277 D HA -0.189 4.469 4.640 0.031 0.000 0.205 277 D C 1.961 178.371 176.300 0.184 0.000 0.970 277 D CA 0.345 54.422 54.000 0.128 0.000 0.851 277 D CB -1.010 39.852 40.800 0.103 0.000 0.943 277 D HN 0.266 nan 8.370 nan 0.000 0.488 278 F N 1.173 121.184 119.950 0.101 0.000 2.186 278 F HA -0.027 4.518 4.527 0.030 0.000 0.299 278 F C 2.000 177.909 175.800 0.182 0.000 1.090 278 F CA 1.131 59.230 58.000 0.165 0.000 1.307 278 F CB 0.053 39.123 39.000 0.116 0.000 1.019 278 F HN -0.240 nan 8.300 nan 0.000 0.489 279 K N 0.636 121.158 120.400 0.203 0.000 2.063 279 K HA -0.107 4.231 4.320 0.031 0.000 0.208 279 K C 2.269 178.862 176.600 -0.011 0.000 1.048 279 K CA 1.410 57.747 56.287 0.083 0.000 0.928 279 K CB -0.952 31.611 32.500 0.104 0.000 0.713 279 K HN 0.325 nan 8.250 nan 0.000 0.442 280 A N -0.015 122.820 122.820 0.026 0.000 1.902 280 A HA -0.206 4.132 4.320 0.031 0.000 0.217 280 A C 2.157 179.731 177.584 -0.016 0.000 1.181 280 A CA 1.605 53.651 52.037 0.015 0.000 0.623 280 A CB -0.908 18.121 19.000 0.049 0.000 0.818 280 A HN 0.446 nan 8.150 nan 0.000 0.443 281 Y N 0.868 121.080 120.300 -0.147 0.000 2.097 281 Y HA -0.169 4.403 4.550 0.036 0.000 0.282 281 Y C 2.584 178.330 175.900 -0.257 0.000 1.152 281 Y CA 1.559 59.537 58.100 -0.204 0.000 1.136 281 Y CB -0.807 37.483 38.460 -0.283 0.000 0.975 281 Y HN 0.284 nan 8.280 nan 0.000 0.498 282 A N 0.497 122.892 122.820 -0.709 0.000 1.933 282 A HA -0.222 4.116 4.320 0.031 0.000 0.218 282 A C 2.359 179.730 177.584 -0.355 0.000 1.175 282 A CA 1.940 53.574 52.037 -0.671 0.000 0.628 282 A CB -0.835 17.897 19.000 -0.447 0.000 0.814 282 A HN 0.580 nan 8.150 nan 0.000 0.444 283 K N -0.431 119.839 120.400 -0.215 0.000 2.057 283 K HA -0.123 4.216 4.320 0.031 0.000 0.206 283 K C 2.251 178.781 176.600 -0.117 0.000 1.050 283 K CA 1.218 57.436 56.287 -0.114 0.000 0.935 283 K CB -0.163 32.304 32.500 -0.056 0.000 0.715 283 K HN 0.445 nan 8.250 nan 0.000 0.439 284 R N 0.193 120.607 120.500 -0.143 0.000 2.096 284 R HA -0.088 4.271 4.340 0.031 0.000 0.235 284 R C 2.267 178.489 176.300 -0.131 0.000 1.127 284 R CA 1.211 57.252 56.100 -0.097 0.000 0.968 284 R CB -0.327 29.948 30.300 -0.042 0.000 0.861 284 R HN 0.060 nan 8.270 nan 0.000 0.440 285 V N 0.619 120.364 119.914 -0.282 0.000 2.255 285 V HA -0.252 3.886 4.120 0.031 0.000 0.247 285 V C 2.380 178.423 176.094 -0.086 0.000 1.051 285 V CA 1.850 64.011 62.300 -0.230 0.000 1.018 285 V CB -0.417 31.168 31.823 -0.397 0.000 0.641 285 V HN 0.118 nan 8.190 nan 0.000 0.445 286 V N 0.063 119.930 119.914 -0.079 0.000 2.307 286 V HA -0.237 3.902 4.120 0.031 0.000 0.245 286 V C 2.298 178.385 176.094 -0.012 0.000 1.045 286 V CA 2.158 64.448 62.300 -0.016 0.000 1.024 286 V CB -0.758 31.062 31.823 -0.004 0.000 0.651 286 V HN 0.542 nan 8.190 nan 0.000 0.449 287 D N 0.371 120.758 120.400 -0.022 0.000 2.104 287 D HA -0.158 4.500 4.640 0.031 0.000 0.194 287 D C 2.068 178.370 176.300 0.003 0.000 0.994 287 D CA 1.306 55.301 54.000 -0.008 0.000 0.830 287 D CB -0.448 40.347 40.800 -0.009 0.000 0.959 287 D HN 0.352 nan 8.370 nan 0.000 0.452 288 N N 0.459 119.162 118.700 0.004 0.000 2.166 288 N HA -0.086 4.673 4.740 0.031 0.000 0.186 288 N C 1.694 177.218 175.510 0.024 0.000 1.019 288 N CA 1.224 54.290 53.050 0.026 0.000 0.856 288 N CB -0.381 38.133 38.487 0.044 0.000 0.993 288 N HN 0.141 nan 8.380 nan 0.000 0.426 289 A N 0.990 123.818 122.820 0.013 0.000 1.902 289 A HA -0.132 4.207 4.320 0.031 0.000 0.217 289 A C 2.222 179.807 177.584 0.002 0.000 1.181 289 A CA 1.527 53.568 52.037 0.006 0.000 0.623 289 A CB -0.396 18.606 19.000 0.003 0.000 0.818 289 A HN 0.163 nan 8.150 nan 0.000 0.443 290 K N -0.726 119.676 120.400 0.004 0.000 2.026 290 K HA -0.141 4.197 4.320 0.031 0.000 0.208 290 K C 2.287 178.894 176.600 0.011 0.000 1.048 290 K CA 1.674 57.964 56.287 0.004 0.000 0.929 290 K CB -0.169 32.334 32.500 0.004 0.000 0.713 290 K HN 0.349 nan 8.250 nan 0.000 0.439 291 R N 0.678 121.187 120.500 0.015 0.000 2.073 291 R HA -0.085 4.273 4.340 0.031 0.000 0.234 291 R C 1.982 178.297 176.300 0.026 0.000 1.134 291 R CA 1.261 57.373 56.100 0.020 0.000 0.952 291 R CB -0.837 29.477 30.300 0.023 0.000 0.850 291 R HN 0.176 nan 8.270 nan 0.000 0.433 292 L N 0.270 121.509 121.223 0.026 0.000 2.046 292 L HA 0.019 4.377 4.340 0.031 0.000 0.208 292 L C 2.108 178.991 176.870 0.021 0.000 1.077 292 L CA 2.229 57.086 54.840 0.027 0.000 0.747 292 L CB -1.119 40.954 42.059 0.024 0.000 0.896 292 L HN 0.281 nan 8.230 nan 0.000 0.432 293 A N -1.534 121.293 122.820 0.012 0.000 1.865 293 A HA -0.280 4.058 4.320 0.031 0.000 0.217 293 A C 2.547 180.151 177.584 0.034 0.000 1.191 293 A CA 2.261 54.306 52.037 0.014 0.000 0.623 293 A CB -1.336 17.665 19.000 0.002 0.000 0.826 293 A HN 0.537 nan 8.150 nan 0.000 0.444 294 S N -0.579 115.138 115.700 0.029 0.000 2.370 294 S HA -0.068 4.421 4.470 0.031 0.000 0.226 294 S C 2.163 176.790 174.600 0.046 0.000 1.033 294 S CA 1.706 59.926 58.200 0.033 0.000 1.011 294 S CB -0.504 62.711 63.200 0.024 0.000 0.852 294 S HN 0.863 nan 8.310 nan 0.000 0.457 295 A N 1.042 123.891 122.820 0.048 0.000 1.930 295 A HA 0.109 4.447 4.320 0.031 0.000 0.217 295 A C 2.206 179.850 177.584 0.101 0.000 1.175 295 A CA 1.210 53.283 52.037 0.060 0.000 0.627 295 A CB -0.676 18.355 19.000 0.051 0.000 0.815 295 A HN 0.572 nan 8.150 nan 0.000 0.443 296 L N -0.940 120.352 121.223 0.116 0.000 2.056 296 L HA -0.238 4.120 4.340 0.031 0.000 0.207 296 L C 2.872 179.907 176.870 0.275 0.000 1.078 296 L CA 1.474 56.448 54.840 0.223 0.000 0.749 296 L CB -0.490 41.633 42.059 0.106 0.000 0.901 296 L HN 0.475 nan 8.230 nan 0.000 0.433 297 Q N -0.486 119.406 119.800 0.152 0.000 2.124 297 Q HA -0.228 4.130 4.340 0.031 0.000 0.202 297 Q C 2.027 178.067 176.000 0.065 0.000 0.977 297 Q CA 1.493 57.361 55.803 0.108 0.000 0.850 297 Q CB -0.288 28.491 28.738 0.069 0.000 0.901 297 Q HN 0.494 nan 8.270 nan 0.000 0.429 298 N N 0.524 119.260 118.700 0.060 0.000 2.205 298 N HA -0.193 4.566 4.740 0.031 0.000 0.186 298 N C 1.177 176.696 175.510 0.015 0.000 1.015 298 N CA 0.879 53.949 53.050 0.033 0.000 0.862 298 N CB 0.213 38.721 38.487 0.035 0.000 0.986 298 N HN 0.211 nan 8.380 nan 0.000 0.429 299 E N -0.294 119.932 120.200 0.044 0.000 2.427 299 E HA -0.011 4.357 4.350 0.031 0.000 0.196 299 E C 1.105 177.564 176.600 -0.234 0.000 1.028 299 E CA 0.708 57.089 56.400 -0.031 0.000 0.864 299 E CB -0.084 29.689 29.700 0.122 0.000 0.813 299 E HN 0.608 nan 8.360 nan 0.000 0.514 300 G N 0.765 109.463 108.800 -0.170 0.000 2.163 300 G HA2 -0.231 3.747 3.960 0.031 0.000 0.213 300 G HA3 -0.231 3.747 3.960 0.031 0.000 0.213 300 G C -0.049 174.696 174.900 -0.259 0.000 0.991 300 G CA -0.308 44.660 45.100 -0.220 0.000 0.653 300 G HN 0.123 nan 8.290 nan 0.000 0.518 301 F N 1.742 121.696 119.950 0.007 0.000 2.389 301 F HA 0.561 5.107 4.527 0.032 0.000 0.337 301 F C 1.205 177.010 175.800 0.009 0.000 1.112 301 F CA 0.109 58.114 58.000 0.007 0.000 1.192 301 F CB 1.224 40.227 39.000 0.006 0.000 1.185 301 F HN -0.078 nan 8.300 nan 0.000 0.552 302 T N 4.784 119.469 114.554 0.219 0.000 2.806 302 T HA 0.545 4.913 4.350 0.031 0.000 0.290 302 T C -0.183 174.588 174.700 0.118 0.000 0.966 302 T CA -0.511 61.669 62.100 0.134 0.000 1.060 302 T CB 0.331 69.260 68.868 0.102 0.000 0.927 302 T HN 0.271 nan 8.240 nan 0.000 0.485 303 L N 3.066 124.343 121.223 0.091 0.000 2.317 303 L HA 0.507 4.865 4.340 0.031 0.000 0.281 303 L C 0.146 177.057 176.870 0.068 0.000 1.024 303 L CA -1.340 53.532 54.840 0.054 0.000 0.810 303 L CB 1.537 43.618 42.059 0.037 0.000 1.240 303 L HN 0.316 nan 8.230 nan 0.000 0.427 304 V N 2.736 122.660 119.914 0.017 0.000 2.617 304 V HA -0.079 4.059 4.120 0.031 0.000 0.304 304 V C 1.201 177.376 176.094 0.135 0.000 1.040 304 V CA 1.246 63.548 62.300 0.004 0.000 1.149 304 V CB 0.910 32.642 31.823 -0.151 0.000 0.914 304 V HN 1.180 nan 8.190 nan 0.000 0.487 305 S N 2.441 118.391 115.700 0.417 0.000 2.981 305 S HA -0.228 4.260 4.470 0.031 0.000 0.274 305 S C 1.343 175.998 174.600 0.091 0.000 1.297 305 S CA 1.240 59.567 58.200 0.212 0.000 1.266 305 S CB -1.946 61.307 63.200 0.090 0.000 1.542 305 S HN 2.860 nan 8.310 nan 0.000 0.674 306 G N -0.449 108.409 108.800 0.097 0.000 2.143 306 G HA2 0.320 4.298 3.960 0.031 0.000 0.248 306 G HA3 0.320 4.298 3.960 0.031 0.000 0.248 306 G C 0.982 175.898 174.900 0.027 0.000 0.991 306 G CA 0.604 45.735 45.100 0.052 0.000 0.689 306 G HN 2.649 nan 8.290 nan 0.000 0.522 307 G N -2.659 106.150 108.800 0.014 0.000 2.403 307 G HA2 0.646 4.625 3.960 0.031 0.000 0.223 307 G HA3 0.646 4.625 3.960 0.031 0.000 0.223 307 G C -0.555 174.324 174.900 -0.035 0.000 1.287 307 G CA 0.888 45.985 45.100 -0.006 0.000 0.982 307 G HN 1.884 nan 8.290 nan 0.000 0.471 308 T N -0.985 113.545 114.554 -0.039 0.000 2.932 308 T HA 0.565 4.933 4.350 0.031 0.000 0.318 308 T C -1.096 173.580 174.700 -0.040 0.000 1.265 308 T CA 0.113 62.177 62.100 -0.061 0.000 1.036 308 T CB 1.866 70.695 68.868 -0.065 0.000 1.209 308 T HN 0.311 nan 8.240 nan 0.000 0.484 309 D N 1.971 122.346 120.400 -0.042 0.000 2.407 309 D HA 0.188 4.846 4.640 0.031 0.000 0.208 309 D C 0.691 177.022 176.300 0.052 0.000 1.083 309 D CA 0.295 54.293 54.000 -0.004 0.000 0.844 309 D CB 0.505 41.297 40.800 -0.013 0.000 0.967 309 D HN 0.671 nan 8.370 nan 0.000 0.506 310 N N -0.732 118.000 118.700 0.054 0.000 3.567 310 N HA -0.018 4.741 4.740 0.031 0.000 0.347 310 N C 0.965 176.547 175.510 0.121 0.000 1.553 310 N CA -0.357 52.783 53.050 0.149 0.000 0.636 310 N CB -0.230 38.420 38.487 0.271 0.000 2.483 310 N HN -0.151 nan 8.380 nan 0.000 0.608 311 H N -0.952 118.137 119.070 0.031 0.000 2.551 311 H HA 0.315 4.890 4.556 0.031 0.000 0.266 311 H C 0.011 175.350 175.328 0.019 0.000 0.964 311 H CA -0.079 55.978 56.048 0.016 0.000 1.180 311 H CB -0.397 29.384 29.762 0.032 0.000 1.408 311 H HN 0.509 nan 8.280 nan 0.000 0.563 312 L N -0.049 120.874 121.223 -0.501 0.000 2.333 312 L HA 0.682 5.040 4.340 0.031 0.000 0.263 312 L C -1.113 175.622 176.870 -0.226 0.000 1.014 312 L CA -1.611 52.981 54.840 -0.414 0.000 0.820 312 L CB 2.262 43.954 42.059 -0.612 0.000 1.352 312 L HN 0.034 nan 8.230 nan 0.000 0.421 313 L N 0.133 121.260 121.223 -0.159 0.000 2.415 313 L HA 0.827 5.185 4.340 0.031 0.000 0.256 313 L C -1.707 175.100 176.870 -0.104 0.000 1.010 313 L CA -0.789 53.983 54.840 -0.114 0.000 0.826 313 L CB 2.041 44.052 42.059 -0.080 0.000 1.405 313 L HN 0.575 nan 8.230 nan 0.000 0.410 314 L N 2.369 123.540 121.223 -0.087 0.000 2.376 314 L HA 0.563 4.921 4.340 0.031 0.000 0.275 314 L C -0.681 176.148 176.870 -0.068 0.000 0.987 314 L CA -0.548 54.243 54.840 -0.081 0.000 0.828 314 L CB 2.127 44.137 42.059 -0.082 0.000 1.249 314 L HN 0.545 nan 8.230 nan 0.000 0.409 315 V N 2.771 122.637 119.914 -0.080 0.000 2.432 315 V HA 0.133 4.271 4.120 0.031 0.000 0.271 315 V C 0.151 176.228 176.094 -0.028 0.000 1.046 315 V CA -0.605 61.656 62.300 -0.064 0.000 0.945 315 V CB 1.531 33.256 31.823 -0.163 0.000 0.992 315 V HN 0.629 nan 8.190 nan 0.000 0.471 316 D N 4.724 125.130 120.400 0.011 0.000 2.365 316 D HA 0.199 4.857 4.640 0.031 0.000 0.237 316 D C 0.611 176.952 176.300 0.070 0.000 1.190 316 D CA -0.041 53.971 54.000 0.021 0.000 0.867 316 D CB 1.109 41.921 40.800 0.021 0.000 1.050 316 D HN 0.457 nan 8.370 nan 0.000 0.491 317 L N 3.641 124.899 121.223 0.059 0.000 2.591 317 L HA 0.185 4.543 4.340 0.031 0.000 0.228 317 L C 2.298 179.215 176.870 0.078 0.000 1.133 317 L CA -0.127 54.770 54.840 0.095 0.000 0.880 317 L CB -0.005 42.097 42.059 0.071 0.000 1.033 317 L HN 0.279 nan 8.230 nan 0.000 0.450 318 R N 0.629 121.164 120.500 0.058 0.000 2.091 318 R HA -0.157 4.202 4.340 0.031 0.000 0.238 318 R C -0.377 175.948 176.300 0.043 0.000 1.136 318 R CA 1.441 57.568 56.100 0.045 0.000 0.959 318 R CB -1.429 28.895 30.300 0.040 0.000 0.856 318 R HN 0.313 nan 8.270 nan 0.000 0.437 319 P HA -0.129 nan 4.420 nan 0.000 0.219 319 P C 0.561 177.872 177.300 0.018 0.000 1.146 319 P CA 1.220 64.336 63.100 0.028 0.000 0.808 319 P CB 0.148 31.863 31.700 0.026 0.000 0.779 320 Q N -1.165 118.659 119.800 0.040 0.000 2.360 320 Q HA 0.107 4.466 4.340 0.031 0.000 0.202 320 Q C 0.288 176.310 176.000 0.037 0.000 0.915 320 Q CA 0.148 55.972 55.803 0.035 0.000 0.943 320 Q CB -0.409 28.378 28.738 0.082 0.000 1.064 320 Q HN 0.139 nan 8.270 nan 0.000 0.511 321 Q N -0.406 119.415 119.800 0.035 0.000 2.475 321 Q HA -0.215 4.143 4.340 0.031 0.000 0.280 321 Q C -0.930 175.090 176.000 0.033 0.000 1.234 321 Q CA 0.691 56.511 55.803 0.029 0.000 0.873 321 Q CB -1.989 26.761 28.738 0.020 0.000 1.256 321 Q HN 0.390 nan 8.270 nan 0.000 0.475 322 L N 0.096 121.345 121.223 0.044 0.000 2.342 322 L HA 0.516 4.874 4.340 0.031 0.000 0.271 322 L C 0.960 177.850 176.870 0.034 0.000 1.008 322 L CA -0.633 54.233 54.840 0.042 0.000 0.818 322 L CB 1.879 43.974 42.059 0.060 0.000 1.296 322 L HN 0.098 nan 8.230 nan 0.000 0.427 323 T N -1.766 112.803 114.554 0.024 0.000 2.874 323 T HA 0.273 4.641 4.350 0.031 0.000 0.281 323 T C 1.227 175.934 174.700 0.011 0.000 0.994 323 T CA -0.089 62.021 62.100 0.016 0.000 1.015 323 T CB 1.649 70.523 68.868 0.011 0.000 1.028 323 T HN 0.696 nan 8.240 nan 0.000 0.523 324 G N 0.274 109.075 108.800 0.002 0.000 2.422 324 G HA2 -0.209 3.769 3.960 0.031 0.000 0.218 324 G HA3 -0.209 3.769 3.960 0.031 0.000 0.218 324 G C 1.367 176.264 174.900 -0.006 0.000 1.146 324 G CA 0.916 46.012 45.100 -0.007 0.000 0.769 324 G HN 0.853 nan 8.290 nan 0.000 0.547 325 K N -0.175 120.223 120.400 -0.002 0.000 2.026 325 K HA -0.101 4.237 4.320 0.031 0.000 0.208 325 K C 2.562 179.163 176.600 0.003 0.000 1.048 325 K CA 1.738 58.025 56.287 -0.001 0.000 0.929 325 K CB -0.336 32.164 32.500 -0.001 0.000 0.713 325 K HN 0.264 nan 8.250 nan 0.000 0.439 326 T N 0.754 115.312 114.554 0.007 0.000 2.708 326 T HA -0.129 4.239 4.350 0.031 0.000 0.266 326 T C 1.861 176.568 174.700 0.012 0.000 1.037 326 T CA 1.400 63.507 62.100 0.012 0.000 1.146 326 T CB -0.316 68.562 68.868 0.017 0.000 0.865 326 T HN 0.432 nan 8.240 nan 0.000 0.435 327 A N 1.345 124.172 122.820 0.011 0.000 1.877 327 A HA -0.146 4.192 4.320 0.031 0.000 0.216 327 A C 2.216 179.798 177.584 -0.003 0.000 1.186 327 A CA 1.996 54.036 52.037 0.006 0.000 0.620 327 A CB -0.703 18.294 19.000 -0.004 0.000 0.822 327 A HN 0.641 nan 8.150 nan 0.000 0.443 328 E N -0.003 120.193 120.200 -0.007 0.000 2.070 328 E HA -0.289 4.079 4.350 0.031 0.000 0.197 328 E C 2.094 178.694 176.600 -0.001 0.000 1.004 328 E CA 1.756 58.152 56.400 -0.007 0.000 0.805 328 E CB -0.178 29.517 29.700 -0.008 0.000 0.744 328 E HN 0.635 nan 8.360 nan 0.000 0.451 329 K N 0.235 120.636 120.400 0.003 0.000 2.026 329 K HA -0.129 4.209 4.320 0.031 0.000 0.208 329 K C 2.177 178.782 176.600 0.009 0.000 1.048 329 K CA 1.411 57.702 56.287 0.006 0.000 0.929 329 K CB -0.223 32.281 32.500 0.006 0.000 0.713 329 K HN 0.158 nan 8.250 nan 0.000 0.439 330 V N 1.398 121.319 119.914 0.011 0.000 2.453 330 V HA -0.157 3.982 4.120 0.031 0.000 0.247 330 V C 2.078 178.180 176.094 0.015 0.000 1.048 330 V CA 1.331 63.640 62.300 0.015 0.000 1.049 330 V CB -0.173 31.662 31.823 0.021 0.000 0.672 330 V HN 0.343 nan 8.190 nan 0.000 0.457 331 L N 0.166 121.395 121.223 0.010 0.000 2.083 331 L HA -0.178 4.180 4.340 0.031 0.000 0.209 331 L C 2.350 179.227 176.870 0.010 0.000 1.083 331 L CA 2.194 57.039 54.840 0.009 0.000 0.752 331 L CB -0.691 41.366 42.059 -0.003 0.000 0.899 331 L HN 0.460 nan 8.230 nan 0.000 0.433 332 D N 0.228 120.633 120.400 0.009 0.000 2.149 332 D HA -0.235 4.423 4.640 0.031 0.000 0.198 332 D C 1.970 178.277 176.300 0.012 0.000 0.990 332 D CA 1.231 55.237 54.000 0.010 0.000 0.839 332 D CB 0.115 40.920 40.800 0.008 0.000 0.948 332 D HN 0.315 nan 8.370 nan 0.000 0.460 333 E N -0.632 119.576 120.200 0.012 0.000 2.265 333 E HA -0.112 4.256 4.350 0.031 0.000 0.196 333 E C 1.902 178.512 176.600 0.015 0.000 0.996 333 E CA 1.058 57.466 56.400 0.013 0.000 0.832 333 E CB 0.229 29.937 29.700 0.013 0.000 0.756 333 E HN 0.458 nan 8.360 nan 0.000 0.491 334 V N -4.203 115.721 119.914 0.017 0.000 3.578 334 V HA 0.471 4.610 4.120 0.031 0.000 0.290 334 V C 1.089 177.196 176.094 0.021 0.000 1.376 334 V CA 0.398 62.710 62.300 0.019 0.000 1.083 334 V CB 0.448 32.285 31.823 0.023 0.000 0.911 334 V HN 0.205 nan 8.190 nan 0.000 0.433 335 G N 0.982 109.793 108.800 0.019 0.000 2.144 335 G HA2 -0.179 3.799 3.960 0.031 0.000 0.218 335 G HA3 -0.179 3.799 3.960 0.031 0.000 0.218 335 G C -0.192 174.722 174.900 0.024 0.000 0.988 335 G CA 0.130 45.242 45.100 0.020 0.000 0.659 335 G HN 0.584 nan 8.290 nan 0.000 0.522 336 I N 2.068 122.651 120.570 0.023 0.000 2.321 336 I HA 0.356 4.544 4.170 0.031 0.000 0.291 336 I C 0.112 176.237 176.117 0.013 0.000 0.998 336 I CA -0.502 60.811 61.300 0.022 0.000 1.227 336 I CB 1.716 39.728 38.000 0.020 0.000 1.368 336 I HN 0.011 nan 8.210 nan 0.000 0.466 337 T N 6.631 121.193 114.554 0.014 0.000 2.738 337 T HA 0.473 4.841 4.350 0.031 0.000 0.298 337 T C 0.008 174.709 174.700 0.002 0.000 0.962 337 T CA -0.519 61.587 62.100 0.010 0.000 0.972 337 T CB 0.855 69.734 68.868 0.018 0.000 0.928 337 T HN 0.442 nan 8.240 nan 0.000 0.474 338 V N 1.254 121.165 119.914 -0.005 0.000 3.155 338 V HA 0.792 4.931 4.120 0.031 0.000 0.313 338 V C -0.970 175.120 176.094 -0.008 0.000 1.162 338 V CA -1.384 60.909 62.300 -0.012 0.000 1.048 338 V CB 2.426 34.231 31.823 -0.031 0.000 1.092 338 V HN 0.862 nan 8.190 nan 0.000 0.447 339 N N 0.321 119.015 118.700 -0.010 0.000 2.284 339 N HA 0.349 5.107 4.740 0.031 0.000 0.300 339 N C -0.735 174.764 175.510 -0.018 0.000 1.047 339 N CA -0.796 52.249 53.050 -0.008 0.000 0.821 339 N CB 2.575 41.063 38.487 0.003 0.000 1.337 339 N HN 1.000 nan 8.380 nan 0.000 0.482 340 K N 1.362 121.752 120.400 -0.017 0.000 2.469 340 K HA 0.032 4.371 4.320 0.031 0.000 0.274 340 K C -0.959 175.627 176.600 -0.023 0.000 0.983 340 K CA 0.065 56.340 56.287 -0.020 0.000 0.974 340 K CB 0.276 32.767 32.500 -0.015 0.000 0.913 340 K HN 0.710 nan 8.250 nan 0.000 0.493 341 N N 0.710 119.393 118.700 -0.029 0.000 2.406 341 N HA 0.111 4.869 4.740 0.031 0.000 0.283 341 N C -1.701 173.788 175.510 -0.036 0.000 1.074 341 N CA -0.482 52.548 53.050 -0.033 0.000 0.916 341 N CB 2.036 40.499 38.487 -0.039 0.000 1.639 341 N HN 0.625 nan 8.380 nan 0.000 0.485 342 T N 2.955 117.488 114.554 -0.035 0.000 2.934 342 T HA 0.190 4.558 4.350 0.031 0.000 0.306 342 T C 0.491 175.163 174.700 -0.046 0.000 1.042 342 T CA 0.220 62.299 62.100 -0.034 0.000 1.145 342 T CB -0.240 68.608 68.868 -0.033 0.000 0.982 342 T HN 0.402 nan 8.240 nan 0.000 0.544 343 I N 1.128 121.665 120.570 -0.054 0.000 2.793 343 I HA 0.620 4.808 4.170 0.031 0.000 0.313 343 I C -2.752 173.293 176.117 -0.121 0.000 0.998 343 I CA -3.541 57.702 61.300 -0.096 0.000 1.140 343 I CB 1.041 38.977 38.000 -0.106 0.000 1.327 343 I HN 0.280 nan 8.210 nan 0.000 0.491 344 P HA 0.030 nan 4.420 nan 0.000 0.264 344 P C -1.245 175.979 177.300 -0.128 0.000 1.193 344 P CA 0.699 63.554 63.100 -0.408 0.000 0.763 344 P CB -0.209 31.235 31.700 -0.426 0.000 0.810 345 Y N -0.611 119.649 120.300 -0.067 0.000 3.929 345 Y HA -0.262 4.307 4.550 0.031 0.000 0.225 345 Y C 0.805 176.714 175.900 0.015 0.000 1.200 345 Y CA 0.327 58.444 58.100 0.028 0.000 1.791 345 Y CB -2.405 36.069 38.460 0.024 0.000 1.561 345 Y HN 0.391 nan 8.280 nan 0.000 0.657 346 D N 2.188 122.627 120.400 0.065 0.000 2.450 346 D HA 0.028 4.686 4.640 0.031 0.000 0.247 346 D C -0.791 175.541 176.300 0.053 0.000 1.162 346 D CA -0.935 53.090 54.000 0.042 0.000 0.879 346 D CB 1.082 41.885 40.800 0.006 0.000 1.163 346 D HN 0.176 nan 8.370 nan 0.000 0.472 347 P HA 0.008 nan 4.420 nan 0.000 0.237 347 P C -0.054 177.262 177.300 0.028 0.000 1.178 347 P CA 0.462 63.589 63.100 0.044 0.000 0.766 347 P CB 0.628 32.353 31.700 0.042 0.000 0.876 348 E N 0.510 120.722 120.200 0.020 0.000 2.250 348 E HA 0.250 4.618 4.350 0.031 0.000 0.269 348 E C 0.440 177.042 176.600 0.003 0.000 1.018 348 E CA -0.455 55.951 56.400 0.010 0.000 0.873 348 E CB 1.356 31.060 29.700 0.007 0.000 1.134 348 E HN 0.068 nan 8.360 nan 0.000 0.403 349 S N 0.879 116.578 115.700 -0.001 0.000 2.589 349 S HA 0.103 4.591 4.470 0.031 0.000 0.265 349 S C -1.836 172.755 174.600 -0.014 0.000 1.342 349 S CA -0.922 57.273 58.200 -0.008 0.000 1.005 349 S CB 0.657 63.852 63.200 -0.008 0.000 0.909 349 S HN 0.168 nan 8.310 nan 0.000 0.555 350 P HA 0.049 nan 4.420 nan 0.000 0.219 350 P C 1.475 178.761 177.300 -0.024 0.000 1.146 350 P CA 1.406 64.489 63.100 -0.029 0.000 0.808 350 P CB -0.439 31.237 31.700 -0.040 0.000 0.779 351 G N -1.252 107.536 108.800 -0.019 0.000 2.572 351 G HA2 -0.053 3.926 3.960 0.031 0.000 0.216 351 G HA3 -0.053 3.926 3.960 0.031 0.000 0.216 351 G C 1.248 176.142 174.900 -0.011 0.000 1.133 351 G CA 0.443 45.533 45.100 -0.015 0.000 0.791 351 G HN 0.204 nan 8.290 nan 0.000 0.538 352 V N -0.292 119.616 119.914 -0.009 0.000 2.950 352 V HA 0.218 4.356 4.120 0.031 0.000 0.231 352 V C 1.163 177.254 176.094 -0.006 0.000 1.205 352 V CA 1.347 63.644 62.300 -0.005 0.000 1.239 352 V CB -0.230 31.592 31.823 -0.001 0.000 1.050 352 V HN 0.778 nan 8.190 nan 0.000 0.498 353 T N -0.731 113.819 114.554 -0.007 0.000 0.541 353 T HA -0.234 4.135 4.350 0.031 0.000 0.774 353 T C 0.207 174.905 174.700 -0.003 0.000 0.992 353 T CA 0.438 62.533 62.100 -0.009 0.000 4.077 353 T CB -1.423 67.435 68.868 -0.017 0.000 2.303 353 T HN 0.340 nan 8.240 nan 0.000 0.398 354 S N 1.089 116.786 115.700 -0.004 0.000 2.593 354 S HA 0.572 5.060 4.470 0.031 0.000 0.236 354 S C 0.787 175.385 174.600 -0.004 0.000 0.991 354 S CA -0.021 58.180 58.200 0.002 0.000 0.963 354 S CB 0.588 63.793 63.200 0.009 0.000 0.865 354 S HN 1.219 nan 8.310 nan 0.000 0.488 355 G N 1.517 110.306 108.800 -0.018 0.000 2.694 355 G HA2 0.724 4.702 3.960 0.031 0.000 0.290 355 G HA3 0.724 4.702 3.960 0.031 0.000 0.290 355 G C -1.224 173.654 174.900 -0.038 0.000 1.386 355 G CA -0.910 44.172 45.100 -0.030 0.000 0.872 355 G HN 0.306 nan 8.290 nan 0.000 0.475 356 I N -1.857 118.679 120.570 -0.056 0.000 2.509 356 I HA 0.744 4.932 4.170 0.031 0.000 0.293 356 I C -0.323 175.752 176.117 -0.070 0.000 1.020 356 I CA -1.200 60.063 61.300 -0.062 0.000 1.088 356 I CB 2.451 40.406 38.000 -0.075 0.000 1.267 356 I HN 0.444 nan 8.210 nan 0.000 0.430 357 R N 5.689 126.155 120.500 -0.058 0.000 2.368 357 R HA 0.777 5.136 4.340 0.031 0.000 0.302 357 R C -1.522 174.746 176.300 -0.055 0.000 1.002 357 R CA -0.550 55.513 56.100 -0.062 0.000 0.929 357 R CB 1.336 31.605 30.300 -0.052 0.000 1.073 357 R HN 0.821 nan 8.270 nan 0.000 0.464 358 I N 2.386 122.916 120.570 -0.067 0.000 2.619 358 I HA 0.446 4.634 4.170 0.031 0.000 0.292 358 I C -0.114 175.971 176.117 -0.053 0.000 1.100 358 I CA -0.773 60.496 61.300 -0.052 0.000 1.043 358 I CB 2.507 40.467 38.000 -0.066 0.000 1.239 358 I HN 0.783 nan 8.210 nan 0.000 0.420 359 G N 1.328 110.121 108.800 -0.011 0.000 2.574 359 G HA2 0.511 4.489 3.960 0.031 0.000 0.299 359 G HA3 0.511 4.489 3.960 0.031 0.000 0.299 359 G C 0.093 175.020 174.900 0.046 0.000 1.298 359 G CA -0.280 44.831 45.100 0.018 0.000 0.952 359 G HN 0.586 nan 8.290 nan 0.000 0.477 360 T N -2.095 112.500 114.554 0.069 0.000 3.054 360 T HA 0.371 4.739 4.350 0.031 0.000 0.255 360 T C 2.143 176.881 174.700 0.063 0.000 1.035 360 T CA 1.183 63.316 62.100 0.056 0.000 0.941 360 T CB 0.667 69.562 68.868 0.046 0.000 1.026 360 T HN 0.733 nan 8.240 nan 0.000 0.533 361 A N 1.938 124.813 122.820 0.091 0.000 1.908 361 A HA 0.220 4.559 4.320 0.031 0.000 0.218 361 A C 2.701 180.369 177.584 0.140 0.000 1.181 361 A CA 1.890 53.992 52.037 0.108 0.000 0.627 361 A CB -1.351 17.713 19.000 0.107 0.000 0.818 361 A HN 0.735 nan 8.150 nan 0.000 0.445 362 A N -0.195 122.637 122.820 0.019 0.000 1.872 362 A HA 0.035 4.373 4.320 0.031 0.000 0.214 362 A C 2.331 179.974 177.584 0.098 0.000 1.187 362 A CA 2.191 54.193 52.037 -0.058 0.000 0.614 362 A CB -1.289 17.532 19.000 -0.299 0.000 0.826 362 A HN 1.126 nan 8.150 nan 0.000 0.442 363 V N -2.346 117.551 119.914 -0.028 0.000 2.490 363 V HA -0.177 3.962 4.120 0.031 0.000 0.250 363 V C 2.172 178.225 176.094 -0.067 0.000 1.061 363 V CA 2.629 64.767 62.300 -0.269 0.000 1.064 363 V CB -1.933 29.675 31.823 -0.359 0.000 0.670 363 V HN 0.422 nan 8.190 nan 0.000 0.461 364 T N 0.541 115.162 114.554 0.112 0.000 2.746 364 T HA -0.161 4.208 4.350 0.031 0.000 0.267 364 T C 1.957 176.853 174.700 0.327 0.000 1.039 364 T CA 2.247 64.479 62.100 0.220 0.000 1.142 364 T CB -0.662 68.291 68.868 0.142 0.000 0.866 364 T HN 0.641 nan 8.240 nan 0.000 0.444 365 T N 1.988 116.759 114.554 0.361 0.000 2.759 365 T HA -0.086 4.282 4.350 0.031 0.000 0.269 365 T C 1.983 176.770 174.700 0.145 0.000 1.042 365 T CA 0.837 63.054 62.100 0.195 0.000 1.140 365 T CB -0.133 68.837 68.868 0.170 0.000 0.864 365 T HN 0.173 nan 8.240 nan 0.000 0.455 366 R N 0.430 121.007 120.500 0.128 0.000 2.316 366 R HA 0.115 4.473 4.340 0.031 0.000 0.202 366 R C 1.863 178.269 176.300 0.176 0.000 1.029 366 R CA 0.705 56.837 56.100 0.053 0.000 1.018 366 R CB -0.653 29.562 30.300 -0.142 0.000 0.888 366 R HN 0.589 nan 8.270 nan 0.000 0.471 367 G N 0.221 109.154 108.800 0.223 0.000 2.159 367 G HA2 -0.251 3.727 3.960 0.031 0.000 0.227 367 G HA3 -0.251 3.727 3.960 0.031 0.000 0.227 367 G C 0.192 175.301 174.900 0.349 0.000 0.986 367 G CA -0.435 44.814 45.100 0.248 0.000 0.651 367 G HN 0.306 nan 8.290 nan 0.000 0.523 368 F N 0.958 120.953 119.950 0.075 0.000 2.518 368 F HA 0.432 4.978 4.527 0.033 0.000 0.359 368 F C 1.502 177.333 175.800 0.050 0.000 1.118 368 F CA 0.355 58.389 58.000 0.056 0.000 1.287 368 F CB 0.971 40.006 39.000 0.059 0.000 1.132 368 F HN 0.232 nan 8.300 nan 0.000 0.587 369 G N 2.027 110.917 108.800 0.150 0.000 3.262 369 G HA2 0.404 4.383 3.960 0.031 0.000 0.229 369 G HA3 0.404 4.383 3.960 0.031 0.000 0.229 369 G C 0.483 175.417 174.900 0.056 0.000 1.280 369 G CA -0.811 44.343 45.100 0.089 0.000 0.951 369 G HN 0.564 nan 8.290 nan 0.000 0.589 370 L N -0.066 121.177 121.223 0.033 0.000 2.046 370 L HA -0.062 4.297 4.340 0.031 0.000 0.208 370 L C 2.802 179.678 176.870 0.009 0.000 1.077 370 L CA 1.107 55.962 54.840 0.024 0.000 0.747 370 L CB -0.326 41.743 42.059 0.017 0.000 0.896 370 L HN 0.377 nan 8.230 nan 0.000 0.432 371 E N 0.466 120.660 120.200 -0.010 0.000 2.085 371 E HA -0.226 4.142 4.350 0.031 0.000 0.194 371 E C 2.100 178.669 176.600 -0.051 0.000 0.994 371 E CA 1.293 57.675 56.400 -0.030 0.000 0.801 371 E CB -0.141 29.533 29.700 -0.044 0.000 0.743 371 E HN 0.495 nan 8.360 nan 0.000 0.453 372 E N -0.087 120.062 120.200 -0.083 0.000 2.106 372 E HA -0.078 4.290 4.350 0.031 0.000 0.192 372 E C 1.968 178.569 176.600 0.002 0.000 0.984 372 E CA 0.680 56.997 56.400 -0.139 0.000 0.806 372 E CB -0.118 29.362 29.700 -0.366 0.000 0.750 372 E HN 0.132 nan 8.360 nan 0.000 0.458 373 M N 0.820 120.449 119.600 0.049 0.000 2.086 373 M HA -0.147 4.352 4.480 0.031 0.000 0.261 373 M C 1.348 177.675 176.300 0.044 0.000 1.067 373 M CA 1.415 56.756 55.300 0.068 0.000 1.116 373 M CB -0.943 31.694 32.600 0.061 0.000 1.348 373 M HN 0.044 nan 8.290 nan 0.000 0.407 374 D N 0.180 120.595 120.400 0.026 0.000 2.104 374 D HA -0.192 4.466 4.640 0.031 0.000 0.194 374 D C 1.998 178.313 176.300 0.025 0.000 0.994 374 D CA 1.481 55.495 54.000 0.024 0.000 0.830 374 D CB -0.247 40.560 40.800 0.012 0.000 0.959 374 D HN 0.402 nan 8.370 nan 0.000 0.452 375 E N 0.615 120.820 120.200 0.008 0.000 2.072 375 E HA -0.091 4.278 4.350 0.031 0.000 0.191 375 E C 2.160 178.778 176.600 0.031 0.000 0.985 375 E CA 0.668 57.072 56.400 0.007 0.000 0.801 375 E CB -0.383 29.300 29.700 -0.028 0.000 0.750 375 E HN 0.279 nan 8.360 nan 0.000 0.452 376 I N 0.615 121.214 120.570 0.047 0.000 2.163 376 I HA -0.325 3.863 4.170 0.031 0.000 0.243 376 I C 2.420 178.569 176.117 0.054 0.000 1.085 376 I CA 1.263 62.604 61.300 0.068 0.000 1.347 376 I CB -0.504 37.558 38.000 0.103 0.000 1.044 376 I HN 0.233 nan 8.210 nan 0.000 0.408 377 A N 0.678 123.531 122.820 0.055 0.000 1.902 377 A HA -0.187 4.152 4.320 0.031 0.000 0.217 377 A C 2.545 180.194 177.584 0.108 0.000 1.181 377 A CA 1.965 54.045 52.037 0.072 0.000 0.623 377 A CB -0.871 18.177 19.000 0.080 0.000 0.818 377 A HN 0.454 nan 8.150 nan 0.000 0.443 378 A N -0.094 122.774 122.820 0.081 0.000 1.902 378 A HA -0.080 4.258 4.320 0.031 0.000 0.217 378 A C 2.115 179.746 177.584 0.079 0.000 1.181 378 A CA 1.541 53.623 52.037 0.076 0.000 0.623 378 A CB -0.615 18.412 19.000 0.046 0.000 0.818 378 A HN 0.510 nan 8.150 nan 0.000 0.443 379 I N -0.352 120.256 120.570 0.064 0.000 2.226 379 I HA -0.255 3.933 4.170 0.031 0.000 0.245 379 I C 2.283 178.445 176.117 0.074 0.000 1.100 379 I CA 1.300 62.635 61.300 0.059 0.000 1.374 379 I CB -0.352 37.676 38.000 0.047 0.000 1.057 379 I HN 0.294 nan 8.210 nan 0.000 0.413 380 I N 0.775 121.389 120.570 0.074 0.000 2.226 380 I HA -0.229 3.959 4.170 0.031 0.000 0.245 380 I C 2.719 178.963 176.117 0.213 0.000 1.100 380 I CA 1.642 62.981 61.300 0.066 0.000 1.374 380 I CB -0.990 36.975 38.000 -0.058 0.000 1.057 380 I HN 0.282 nan 8.210 nan 0.000 0.413 381 G N 1.279 110.271 108.800 0.321 0.000 2.491 381 G HA2 -0.307 3.672 3.960 0.031 0.000 0.218 381 G HA3 -0.307 3.672 3.960 0.031 0.000 0.218 381 G C 1.656 176.654 174.900 0.164 0.000 1.180 381 G CA 0.995 46.295 45.100 0.333 0.000 0.774 381 G HN 0.295 nan 8.290 nan 0.000 0.562 382 L N 0.680 121.969 121.223 0.109 0.000 2.042 382 L HA -0.065 4.293 4.340 0.031 0.000 0.210 382 L C 2.889 179.802 176.870 0.070 0.000 1.076 382 L CA 1.661 56.542 54.840 0.068 0.000 0.749 382 L CB -0.539 41.551 42.059 0.051 0.000 0.893 382 L HN 0.101 nan 8.230 nan 0.000 0.432 383 V N -0.439 119.525 119.914 0.084 0.000 2.283 383 V HA -0.260 3.879 4.120 0.031 0.000 0.243 383 V C 2.462 178.608 176.094 0.087 0.000 1.039 383 V CA 2.000 64.342 62.300 0.071 0.000 1.016 383 V CB -0.503 31.355 31.823 0.058 0.000 0.650 383 V HN 0.435 nan 8.190 nan 0.000 0.449 384 L N -0.602 120.706 121.223 0.142 0.000 2.291 384 L HA -0.069 4.290 4.340 0.031 0.000 0.214 384 L C 2.258 179.203 176.870 0.126 0.000 1.120 384 L CA 1.203 56.142 54.840 0.165 0.000 0.799 384 L CB -0.475 41.759 42.059 0.293 0.000 0.925 384 L HN 0.300 nan 8.230 nan 0.000 0.446 385 K N 0.232 120.688 120.400 0.094 0.000 2.426 385 K HA 0.044 4.383 4.320 0.031 0.000 0.193 385 K C 0.002 176.617 176.600 0.025 0.000 1.028 385 K CA 0.376 56.681 56.287 0.030 0.000 1.047 385 K CB 0.164 32.657 32.500 -0.012 0.000 0.821 385 K HN 0.308 nan 8.250 nan 0.000 0.513 386 N N -0.181 118.541 118.700 0.037 0.000 2.622 386 N HA 0.043 4.802 4.740 0.031 0.000 0.304 386 N C 0.223 175.751 175.510 0.029 0.000 1.844 386 N CA -0.089 52.977 53.050 0.027 0.000 0.886 386 N CB 1.382 39.883 38.487 0.024 0.000 1.366 386 N HN -0.205 nan 8.380 nan 0.000 0.491 387 V N -0.457 119.476 119.914 0.032 0.000 2.720 387 V HA -0.102 4.037 4.120 0.031 0.000 0.256 387 V C 2.045 178.152 176.094 0.022 0.000 1.082 387 V CA 2.130 64.448 62.300 0.030 0.000 1.101 387 V CB -0.379 31.464 31.823 0.032 0.000 0.693 387 V HN 0.603 nan 8.190 nan 0.000 0.479 388 G N -1.176 107.635 108.800 0.019 0.000 3.042 388 G HA2 0.061 4.040 3.960 0.031 0.000 0.212 388 G HA3 0.061 4.040 3.960 0.031 0.000 0.212 388 G C 0.598 175.505 174.900 0.013 0.000 1.166 388 G CA 0.611 45.720 45.100 0.014 0.000 0.767 388 G HN 0.434 nan 8.290 nan 0.000 0.546 389 S N 0.372 116.080 115.700 0.015 0.000 2.520 389 S HA 0.323 4.811 4.470 0.031 0.000 0.324 389 S C 1.043 175.651 174.600 0.014 0.000 1.069 389 S CA -0.575 57.633 58.200 0.013 0.000 1.121 389 S CB 0.887 64.095 63.200 0.013 0.000 0.971 389 S HN 0.155 nan 8.310 nan 0.000 0.463 390 E N 3.730 123.938 120.200 0.012 0.000 2.153 390 E HA -0.163 4.205 4.350 0.031 0.000 0.194 390 E C 1.691 178.298 176.600 0.012 0.000 0.988 390 E CA 1.215 57.622 56.400 0.012 0.000 0.811 390 E CB -0.059 29.647 29.700 0.010 0.000 0.746 390 E HN 0.797 nan 8.360 nan 0.000 0.466 391 Q N 0.584 120.390 119.800 0.011 0.000 2.045 391 Q HA -0.168 4.191 4.340 0.031 0.000 0.206 391 Q C 2.238 178.246 176.000 0.013 0.000 0.991 391 Q CA 2.119 57.929 55.803 0.011 0.000 0.851 391 Q CB -0.349 28.394 28.738 0.009 0.000 0.911 391 Q HN 0.289 nan 8.270 nan 0.000 0.418 392 A N 0.702 123.531 122.820 0.015 0.000 1.902 392 A HA -0.153 4.185 4.320 0.031 0.000 0.217 392 A C 2.095 179.692 177.584 0.021 0.000 1.181 392 A CA 1.221 53.268 52.037 0.018 0.000 0.623 392 A CB -0.701 18.311 19.000 0.020 0.000 0.818 392 A HN 0.307 nan 8.150 nan 0.000 0.443 393 L N -0.991 120.244 121.223 0.020 0.000 2.093 393 L HA -0.164 4.194 4.340 0.031 0.000 0.208 393 L C 2.629 179.510 176.870 0.018 0.000 1.085 393 L CA 1.662 56.514 54.840 0.020 0.000 0.755 393 L CB -0.517 41.553 42.059 0.019 0.000 0.904 393 L HN 0.457 nan 8.230 nan 0.000 0.435 394 E N 0.822 121.032 120.200 0.016 0.000 2.072 394 E HA -0.261 4.107 4.350 0.031 0.000 0.191 394 E C 2.015 178.623 176.600 0.014 0.000 0.985 394 E CA 1.426 57.834 56.400 0.014 0.000 0.801 394 E CB -0.010 29.697 29.700 0.012 0.000 0.750 394 E HN 0.404 nan 8.360 nan 0.000 0.452 395 E N -0.374 119.835 120.200 0.015 0.000 2.051 395 E HA -0.232 4.137 4.350 0.031 0.000 0.192 395 E C 1.946 178.556 176.600 0.017 0.000 0.991 395 E CA 1.170 57.578 56.400 0.015 0.000 0.799 395 E CB -0.269 29.439 29.700 0.015 0.000 0.748 395 E HN 0.327 nan 8.360 nan 0.000 0.449 396 A N 1.460 124.293 122.820 0.021 0.000 1.883 396 A HA -0.235 4.104 4.320 0.031 0.000 0.217 396 A C 2.219 179.817 177.584 0.023 0.000 1.186 396 A CA 1.742 53.794 52.037 0.025 0.000 0.624 396 A CB -0.663 18.355 19.000 0.030 0.000 0.822 396 A HN 0.245 nan 8.150 nan 0.000 0.444 397 R N -0.555 119.958 120.500 0.021 0.000 2.096 397 R HA -0.226 4.133 4.340 0.031 0.000 0.240 397 R C 2.472 178.783 176.300 0.018 0.000 1.139 397 R CA 2.168 58.279 56.100 0.019 0.000 0.952 397 R CB -0.315 29.995 30.300 0.017 0.000 0.854 397 R HN 0.733 nan 8.270 nan 0.000 0.436 398 Q N -0.664 119.145 119.800 0.015 0.000 2.119 398 Q HA -0.148 4.210 4.340 0.031 0.000 0.201 398 Q C 2.195 178.202 176.000 0.012 0.000 0.972 398 Q CA 1.443 57.254 55.803 0.013 0.000 0.847 398 Q CB 0.001 28.746 28.738 0.011 0.000 0.903 398 Q HN 0.328 nan 8.270 nan 0.000 0.433 399 R N -0.185 120.324 120.500 0.013 0.000 2.092 399 R HA -0.074 4.285 4.340 0.031 0.000 0.231 399 R C 2.294 178.604 176.300 0.016 0.000 1.119 399 R CA 0.974 57.081 56.100 0.011 0.000 0.970 399 R CB -0.193 30.115 30.300 0.013 0.000 0.864 399 R HN 0.069 nan 8.270 nan 0.000 0.440 400 V N 1.015 120.945 119.914 0.027 0.000 2.295 400 V HA -0.241 3.897 4.120 0.031 0.000 0.246 400 V C 2.425 178.539 176.094 0.033 0.000 1.049 400 V CA 2.001 64.326 62.300 0.040 0.000 1.024 400 V CB -0.687 31.159 31.823 0.040 0.000 0.648 400 V HN 0.406 nan 8.190 nan 0.000 0.447 401 A N 0.058 122.890 122.820 0.020 0.000 1.908 401 A HA -0.165 4.173 4.320 0.031 0.000 0.218 401 A C 2.417 180.007 177.584 0.011 0.000 1.181 401 A CA 2.167 54.213 52.037 0.014 0.000 0.627 401 A CB -0.804 18.205 19.000 0.015 0.000 0.818 401 A HN 0.593 nan 8.150 nan 0.000 0.445 402 A N -0.567 122.257 122.820 0.006 0.000 1.972 402 A HA -0.025 4.314 4.320 0.031 0.000 0.219 402 A C 2.156 179.727 177.584 -0.022 0.000 1.169 402 A CA 1.479 53.512 52.037 -0.006 0.000 0.635 402 A CB -0.493 18.500 19.000 -0.012 0.000 0.810 402 A HN 0.486 nan 8.150 nan 0.000 0.446 403 L N -0.488 120.724 121.223 -0.018 0.000 2.109 403 L HA -0.104 4.255 4.340 0.031 0.000 0.207 403 L C 2.792 179.694 176.870 0.054 0.000 1.086 403 L CA 1.736 56.544 54.840 -0.054 0.000 0.760 403 L CB -0.398 41.654 42.059 -0.013 0.000 0.910 403 L HN 0.636 nan 8.230 nan 0.000 0.437 404 T N -5.127 109.471 114.554 0.073 0.000 3.065 404 T HA 0.128 4.496 4.350 0.031 0.000 0.252 404 T C 0.080 174.744 174.700 -0.061 0.000 1.099 404 T CA -0.245 61.855 62.100 -0.001 0.000 1.063 404 T CB 0.134 68.921 68.868 -0.134 0.000 0.948 404 T HN 0.226 nan 8.240 nan 0.000 0.506 405 D N 0.000 120.408 120.400 0.013 0.000 6.856 405 D HA 0.000 4.658 4.640 0.031 0.000 0.175 405 D CA 0.000 54.035 54.000 0.059 0.000 0.868 405 D CB 0.000 40.867 40.800 0.112 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683