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 2vi8_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 AAAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.221 176.300 -0.132 0.000 1.140 1 M CA 0.000 55.303 55.300 0.004 0.000 0.988 1 M CB 0.000 32.643 32.600 0.072 0.000 1.302 2 K N 0.273 120.563 120.400 -0.183 0.000 2.362 2 K HA 0.242 4.581 4.320 0.031 0.000 0.203 2 K C 0.689 176.989 176.600 -0.499 0.000 1.198 2 K CA 0.666 56.707 56.287 -0.411 0.000 0.908 2 K CB 0.429 32.564 32.500 -0.608 0.000 1.236 2 K HN 0.643 nan 8.250 nan 0.000 0.487 3 Y N 0.433 120.661 120.300 -0.120 0.000 2.389 3 Y HA 0.059 4.614 4.550 0.009 0.000 0.292 3 Y C 1.861 177.683 175.900 -0.130 0.000 1.117 3 Y CA 0.106 58.141 58.100 -0.108 0.000 1.195 3 Y CB -0.030 38.388 38.460 -0.070 0.000 1.076 3 Y HN 0.035 nan 8.280 nan 0.000 0.548 4 L N 1.479 122.702 121.223 -0.000 0.000 2.012 4 L HA -0.080 4.279 4.340 0.031 0.000 0.210 4 L C -0.892 175.859 176.870 -0.198 0.000 1.073 4 L CA 1.992 56.806 54.840 -0.043 0.000 0.748 4 L CB -1.604 40.481 42.059 0.043 0.000 0.891 4 L HN -0.003 nan 8.230 nan 0.000 0.431 5 P HA -0.217 nan 4.420 nan 0.000 0.216 5 P C 1.411 178.546 177.300 -0.275 0.000 1.150 5 P CA 1.416 64.068 63.100 -0.746 0.000 0.843 5 P CB 0.032 31.102 31.700 -1.051 0.000 0.787 6 Q N -0.131 119.549 119.800 -0.201 0.000 2.096 6 Q HA -0.177 4.182 4.340 0.031 0.000 0.197 6 Q C 2.290 178.265 176.000 -0.042 0.000 0.964 6 Q CA 1.664 57.408 55.803 -0.098 0.000 0.838 6 Q CB -1.044 27.644 28.738 -0.085 0.000 0.906 6 Q HN 0.030 nan 8.270 nan 0.000 0.444 7 Q N 0.233 120.018 119.800 -0.024 0.000 2.123 7 Q HA -0.038 4.321 4.340 0.031 0.000 0.199 7 Q C -0.354 175.652 176.000 0.011 0.000 0.966 7 Q CA 1.626 57.432 55.803 0.004 0.000 0.845 7 Q CB 0.250 29.001 28.738 0.021 0.000 0.907 7 Q HN 0.280 nan 8.270 nan 0.000 0.439 8 D N -1.363 119.048 120.400 0.018 0.000 2.517 8 D HA 0.205 4.863 4.640 0.031 0.000 0.263 8 D C -2.258 174.093 176.300 0.086 0.000 1.233 8 D CA -1.701 52.327 54.000 0.046 0.000 0.849 8 D CB 1.296 42.128 40.800 0.053 0.000 1.261 8 D HN -0.036 nan 8.370 nan 0.000 0.516 9 P HA -0.156 nan 4.420 nan 0.000 0.216 9 P C 1.438 178.818 177.300 0.134 0.000 1.150 9 P CA 1.249 64.422 63.100 0.122 0.000 0.843 9 P CB 0.552 32.296 31.700 0.074 0.000 0.787 10 Q N -0.792 119.058 119.800 0.083 0.000 2.020 10 Q HA -0.114 4.244 4.340 0.031 0.000 0.202 10 Q C 2.141 178.180 176.000 0.064 0.000 0.982 10 Q CA 1.444 57.283 55.803 0.060 0.000 0.838 10 Q CB -0.854 27.907 28.738 0.039 0.000 0.899 10 Q HN 0.098 nan 8.270 nan 0.000 0.423 11 V N 0.591 120.552 119.914 0.079 0.000 2.343 11 V HA -0.247 3.891 4.120 0.031 0.000 0.247 11 V C 1.958 178.117 176.094 0.109 0.000 1.051 11 V CA 1.764 64.110 62.300 0.077 0.000 1.036 11 V CB -0.626 31.242 31.823 0.074 0.000 0.654 11 V HN 0.312 nan 8.190 nan 0.000 0.451 12 F N 1.598 121.550 119.950 0.004 0.000 2.095 12 F HA -0.178 4.357 4.527 0.013 0.000 0.298 12 F C 2.296 178.097 175.800 0.001 0.000 1.104 12 F CA 1.409 59.410 58.000 0.003 0.000 1.232 12 F CB -0.679 38.322 39.000 0.001 0.000 0.987 12 F HN 0.077 nan 8.300 nan 0.000 0.475 13 A N 0.246 123.040 122.820 -0.044 0.000 1.940 13 A HA -0.078 4.260 4.320 0.031 0.000 0.219 13 A C 2.416 179.906 177.584 -0.157 0.000 1.176 13 A CA 1.942 53.895 52.037 -0.140 0.000 0.631 13 A CB -1.550 17.442 19.000 -0.015 0.000 0.814 13 A HN 0.508 nan 8.150 nan 0.000 0.446 14 A N -0.180 122.587 122.820 -0.087 0.000 1.898 14 A HA -0.015 4.324 4.320 0.031 0.000 0.216 14 A C 2.115 179.643 177.584 -0.094 0.000 1.181 14 A CA 1.361 53.357 52.037 -0.068 0.000 0.620 14 A CB -0.557 18.427 19.000 -0.027 0.000 0.819 14 A HN 0.482 nan 8.150 nan 0.000 0.442 15 I N -0.263 120.237 120.570 -0.116 0.000 2.163 15 I HA -0.237 3.951 4.170 0.031 0.000 0.243 15 I C 2.478 178.480 176.117 -0.191 0.000 1.085 15 I CA 1.328 62.556 61.300 -0.119 0.000 1.347 15 I CB -0.344 37.613 38.000 -0.072 0.000 1.044 15 I HN 0.316 nan 8.210 nan 0.000 0.408 16 E N 0.601 120.584 120.200 -0.362 0.000 2.077 16 E HA -0.249 4.119 4.350 0.031 0.000 0.193 16 E C 2.154 178.643 176.600 -0.185 0.000 0.989 16 E CA 1.226 57.414 56.400 -0.353 0.000 0.800 16 E CB -0.290 29.069 29.700 -0.569 0.000 0.746 16 E HN 0.596 nan 8.360 nan 0.000 0.452 17 Q N 0.307 120.018 119.800 -0.148 0.000 2.061 17 Q HA -0.222 4.136 4.340 0.031 0.000 0.204 17 Q C 2.159 178.129 176.000 -0.050 0.000 0.984 17 Q CA 1.731 57.486 55.803 -0.080 0.000 0.846 17 Q CB -0.121 28.581 28.738 -0.060 0.000 0.902 17 Q HN 0.110 nan 8.270 nan 0.000 0.421 18 E N 1.007 121.177 120.200 -0.050 0.000 2.072 18 E HA -0.195 4.173 4.350 0.031 0.000 0.191 18 E C 1.825 178.422 176.600 -0.005 0.000 0.985 18 E CA 1.318 57.708 56.400 -0.017 0.000 0.801 18 E CB -0.076 29.617 29.700 -0.012 0.000 0.750 18 E HN 0.180 nan 8.360 nan 0.000 0.452 19 R N 0.242 120.723 120.500 -0.032 0.000 2.083 19 R HA -0.136 4.223 4.340 0.031 0.000 0.237 19 R C 2.133 178.425 176.300 -0.013 0.000 1.137 19 R CA 1.918 58.003 56.100 -0.025 0.000 0.951 19 R CB -0.069 30.197 30.300 -0.056 0.000 0.851 19 R HN 0.077 nan 8.270 nan 0.000 0.434 20 K N -0.238 120.148 120.400 -0.023 0.000 2.097 20 K HA -0.132 4.206 4.320 0.031 0.000 0.205 20 K C 2.277 178.906 176.600 0.048 0.000 1.050 20 K CA 1.183 57.474 56.287 0.007 0.000 0.938 20 K CB -0.187 32.303 32.500 -0.018 0.000 0.718 20 K HN 0.131 nan 8.250 nan 0.000 0.442 21 R N 1.539 122.055 120.500 0.028 0.000 2.091 21 R HA -0.189 4.170 4.340 0.031 0.000 0.238 21 R C 2.112 178.442 176.300 0.051 0.000 1.136 21 R CA 1.716 57.838 56.100 0.036 0.000 0.959 21 R CB -0.053 30.263 30.300 0.028 0.000 0.856 21 R HN 0.300 nan 8.270 nan 0.000 0.437 22 Q N -1.308 118.528 119.800 0.060 0.000 2.135 22 Q HA -0.239 4.119 4.340 0.031 0.000 0.204 22 Q C 1.933 177.911 176.000 -0.036 0.000 0.981 22 Q CA 1.943 57.793 55.803 0.077 0.000 0.856 22 Q CB -0.180 28.621 28.738 0.105 0.000 0.902 22 Q HN 0.544 nan 8.270 nan 0.000 0.425 23 H N -0.254 118.749 119.070 -0.112 0.000 2.403 23 H HA 0.068 4.643 4.556 0.030 0.000 0.298 23 H C 1.780 177.079 175.328 -0.049 0.000 1.059 23 H CA 1.464 57.437 56.048 -0.124 0.000 1.363 23 H CB 0.059 29.762 29.762 -0.097 0.000 1.410 23 H HN 0.210 nan 8.280 nan 0.000 0.528 24 A N 0.987 123.779 122.820 -0.047 0.000 1.968 24 A HA 0.044 4.383 4.320 0.031 0.000 0.217 24 A C 0.995 178.543 177.584 -0.060 0.000 1.169 24 A CA 0.508 52.510 52.037 -0.058 0.000 0.638 24 A CB 0.004 19.028 19.000 0.040 0.000 0.812 24 A HN 0.170 nan 8.150 nan 0.000 0.446 25 K N -0.174 120.210 120.400 -0.027 0.000 2.098 25 K HA 0.501 4.840 4.320 0.031 0.000 0.257 25 K C -0.716 175.883 176.600 -0.001 0.000 0.999 25 K CA -0.368 55.922 56.287 0.004 0.000 0.924 25 K CB 1.006 33.524 32.500 0.030 0.000 1.028 25 K HN 0.241 nan 8.250 nan 0.000 0.466 26 I N 2.073 122.654 120.570 0.018 0.000 2.291 26 I HA 0.028 4.217 4.170 0.031 0.000 0.290 26 I C 0.370 176.493 176.117 0.010 0.000 1.050 26 I CA -0.587 60.718 61.300 0.009 0.000 1.245 26 I CB 0.692 38.729 38.000 0.062 0.000 1.405 26 I HN 0.410 nan 8.210 nan 0.000 0.478 27 E N 7.226 127.435 120.200 0.016 0.000 2.052 27 E HA 0.209 4.577 4.350 0.031 0.000 0.283 27 E C -0.036 176.554 176.600 -0.017 0.000 1.071 27 E CA 0.173 56.587 56.400 0.022 0.000 0.851 27 E CB 0.574 30.314 29.700 0.066 0.000 1.066 27 E HN 0.578 nan 8.360 nan 0.000 0.396 28 L N 4.879 126.095 121.223 -0.012 0.000 2.766 28 L HA 0.339 4.697 4.340 0.031 0.000 0.242 28 L C 0.346 177.211 176.870 -0.007 0.000 1.136 28 L CA -0.367 54.466 54.840 -0.013 0.000 0.933 28 L CB 0.115 42.166 42.059 -0.013 0.000 1.241 28 L HN 0.538 nan 8.230 nan 0.000 0.522 29 I N 1.066 121.633 120.570 -0.006 0.000 2.662 29 I HA -0.080 4.109 4.170 0.031 0.000 0.285 29 I C 1.619 177.760 176.117 0.041 0.000 1.161 29 I CA 0.023 61.330 61.300 0.012 0.000 1.415 29 I CB 1.373 39.378 38.000 0.009 0.000 1.385 29 I HN 0.147 nan 8.210 nan 0.000 0.552 30 A N 4.584 127.459 122.820 0.092 0.000 2.070 30 A HA -0.141 4.198 4.320 0.031 0.000 0.220 30 A C 2.174 179.924 177.584 0.278 0.000 1.159 30 A CA 1.732 53.882 52.037 0.189 0.000 0.656 30 A CB -0.424 18.668 19.000 0.154 0.000 0.800 30 A HN 0.818 nan 8.150 nan 0.000 0.453 31 S N -0.569 115.238 115.700 0.179 0.000 2.558 31 S HA 0.087 4.576 4.470 0.031 0.000 0.217 31 S C 0.415 174.990 174.600 -0.042 0.000 0.975 31 S CA -0.182 58.001 58.200 -0.028 0.000 0.912 31 S CB 0.029 63.224 63.200 -0.008 0.000 0.776 31 S HN 0.483 nan 8.310 nan 0.000 0.526 32 E N 2.043 122.218 120.200 -0.041 0.000 2.283 32 E HA 0.524 4.893 4.350 0.031 0.000 0.271 32 E C -0.417 176.052 176.600 -0.219 0.000 1.031 32 E CA -0.354 55.965 56.400 -0.135 0.000 0.868 32 E CB 0.858 30.450 29.700 -0.180 0.000 1.094 32 E HN 0.226 nan 8.360 nan 0.000 0.401 33 N N 0.222 118.712 118.700 -0.349 0.000 3.277 33 N HA 0.398 5.157 4.740 0.031 0.000 0.278 33 N C -1.810 173.300 175.510 -0.668 0.000 1.544 33 N CA -0.533 52.270 53.050 -0.413 0.000 0.869 33 N CB 0.984 39.416 38.487 -0.092 0.000 1.584 33 N HN 0.165 nan 8.380 nan 0.000 0.564 34 F N 1.045 121.008 119.950 0.021 0.000 2.499 34 F HA 0.357 4.898 4.527 0.023 0.000 0.333 34 F C 0.655 176.452 175.800 -0.006 0.000 1.138 34 F CA -0.900 57.101 58.000 0.003 0.000 0.945 34 F CB 1.150 40.146 39.000 -0.007 0.000 1.181 34 F HN 0.144 nan 8.300 nan 0.000 0.435 35 V N 0.427 120.430 119.914 0.149 0.000 3.133 35 V HA 0.647 4.785 4.120 0.031 0.000 0.305 35 V C 0.425 176.561 176.094 0.071 0.000 1.084 35 V CA -0.763 61.585 62.300 0.079 0.000 1.089 35 V CB 1.119 32.969 31.823 0.044 0.000 1.073 35 V HN 0.829 nan 8.190 nan 0.000 0.477 36 S N 2.673 118.394 115.700 0.035 0.000 2.600 36 S HA 0.336 4.824 4.470 0.031 0.000 0.265 36 S C 0.911 175.522 174.600 0.019 0.000 1.325 36 S CA -0.151 58.063 58.200 0.023 0.000 1.002 36 S CB 0.702 63.908 63.200 0.009 0.000 0.921 36 S HN 0.767 nan 8.310 nan 0.000 0.554 37 R N 0.837 121.346 120.500 0.015 0.000 2.096 37 R HA -0.084 4.275 4.340 0.031 0.000 0.235 37 R C 2.567 178.871 176.300 0.007 0.000 1.127 37 R CA 1.358 57.465 56.100 0.013 0.000 0.968 37 R CB -0.972 29.334 30.300 0.010 0.000 0.861 37 R HN 0.832 nan 8.270 nan 0.000 0.440 38 A N 0.601 123.422 122.820 0.002 0.000 1.902 38 A HA -0.124 4.214 4.320 0.031 0.000 0.217 38 A C 2.330 179.906 177.584 -0.013 0.000 1.181 38 A CA 1.395 53.429 52.037 -0.006 0.000 0.623 38 A CB -0.533 18.462 19.000 -0.009 0.000 0.818 38 A HN 0.120 nan 8.150 nan 0.000 0.443 39 V N -0.037 119.867 119.914 -0.017 0.000 2.295 39 V HA -0.336 3.803 4.120 0.031 0.000 0.246 39 V C 2.668 178.751 176.094 -0.017 0.000 1.049 39 V CA 2.337 64.618 62.300 -0.031 0.000 1.024 39 V CB -0.685 31.119 31.823 -0.032 0.000 0.648 39 V HN 0.583 nan 8.190 nan 0.000 0.447 40 M N -0.790 118.810 119.600 -0.000 0.000 2.117 40 M HA -0.215 4.284 4.480 0.031 0.000 0.262 40 M C 2.221 178.529 176.300 0.014 0.000 1.065 40 M CA 1.887 57.193 55.300 0.011 0.000 1.114 40 M CB -0.561 32.052 32.600 0.021 0.000 1.361 40 M HN 0.373 nan 8.290 nan 0.000 0.408 41 E N 0.439 120.645 120.200 0.010 0.000 2.085 41 E HA -0.192 4.176 4.350 0.031 0.000 0.194 41 E C 2.100 178.706 176.600 0.010 0.000 0.994 41 E CA 1.321 57.728 56.400 0.011 0.000 0.801 41 E CB -0.176 29.528 29.700 0.007 0.000 0.743 41 E HN 0.515 nan 8.360 nan 0.000 0.453 42 A N 1.839 124.659 122.820 0.001 0.000 1.883 42 A HA -0.280 4.058 4.320 0.031 0.000 0.217 42 A C 2.134 179.735 177.584 0.028 0.000 1.186 42 A CA 1.992 54.029 52.037 -0.000 0.000 0.624 42 A CB -0.683 18.301 19.000 -0.027 0.000 0.822 42 A HN 0.388 nan 8.150 nan 0.000 0.444 43 Q N -1.088 118.730 119.800 0.030 0.000 2.451 43 Q HA 0.128 4.487 4.340 0.031 0.000 0.206 43 Q C 1.317 177.393 176.000 0.125 0.000 0.947 43 Q CA 0.806 56.666 55.803 0.094 0.000 0.937 43 Q CB -0.385 28.374 28.738 0.034 0.000 1.025 43 Q HN 0.440 nan 8.270 nan 0.000 0.511 44 G N 1.425 110.258 108.800 0.054 0.000 3.314 44 G HA2 0.078 4.056 3.960 0.031 0.000 0.238 44 G HA3 0.078 4.056 3.960 0.031 0.000 0.238 44 G C 0.241 175.139 174.900 -0.004 0.000 1.184 44 G CA 0.153 45.267 45.100 0.024 0.000 0.806 44 G HN 0.387 nan 8.290 nan 0.000 0.536 45 S N -0.816 114.886 115.700 0.003 0.000 2.707 45 S HA 0.295 4.783 4.470 0.031 0.000 0.276 45 S C 1.579 176.143 174.600 -0.061 0.000 1.179 45 S CA 0.062 58.252 58.200 -0.017 0.000 0.992 45 S CB 1.454 64.658 63.200 0.007 0.000 1.030 45 S HN 0.533 nan 8.310 nan 0.000 0.554 46 V N -0.862 119.019 119.914 -0.054 0.000 3.383 46 V HA 0.039 4.178 4.120 0.031 0.000 0.272 46 V C 1.684 177.739 176.094 -0.066 0.000 1.181 46 V CA 0.880 63.138 62.300 -0.071 0.000 1.171 46 V CB -1.413 30.379 31.823 -0.050 0.000 0.800 46 V HN 0.678 nan 8.190 nan 0.000 0.515 47 L N 0.975 122.178 121.223 -0.033 0.000 2.353 47 L HA -0.082 4.276 4.340 0.031 0.000 0.220 47 L C 2.751 179.600 176.870 -0.035 0.000 1.133 47 L CA 2.271 57.117 54.840 0.009 0.000 0.798 47 L CB -1.282 40.821 42.059 0.074 0.000 0.922 47 L HN 0.528 nan 8.230 nan 0.000 0.445 48 T N -0.995 113.395 114.554 -0.273 0.000 2.897 48 T HA -0.191 4.178 4.350 0.031 0.000 0.271 48 T C 1.566 176.127 174.700 -0.230 0.000 1.084 48 T CA 1.796 63.584 62.100 -0.521 0.000 1.123 48 T CB -0.396 67.946 68.868 -0.877 0.000 0.865 48 T HN 0.533 nan 8.240 nan 0.000 0.496 49 N N -0.087 118.528 118.700 -0.142 0.000 2.515 49 N HA 0.033 4.791 4.740 0.031 0.000 0.185 49 N C 0.317 175.810 175.510 -0.027 0.000 1.109 49 N CA 0.198 53.202 53.050 -0.077 0.000 0.903 49 N CB 0.157 38.615 38.487 -0.049 0.000 0.969 49 N HN 0.126 nan 8.380 nan 0.000 0.450 50 K N 0.771 121.155 120.400 -0.028 0.000 2.240 50 K HA 0.166 4.504 4.320 0.031 0.000 0.271 50 K C -1.461 175.131 176.600 -0.012 0.000 1.018 50 K CA -0.527 55.778 56.287 0.030 0.000 0.874 50 K CB 0.199 32.727 32.500 0.047 0.000 1.098 50 K HN -0.076 nan 8.250 nan 0.000 0.458 51 Y N 2.325 122.659 120.300 0.056 0.000 2.402 51 Y HA 0.330 4.903 4.550 0.038 0.000 0.333 51 Y C 0.561 176.396 175.900 -0.108 0.000 1.076 51 Y CA 0.449 58.526 58.100 -0.038 0.000 1.299 51 Y CB 1.384 39.840 38.460 -0.006 0.000 1.197 51 Y HN 0.717 nan 8.280 nan 0.000 0.517 52 A N 4.010 126.815 122.820 -0.025 0.000 2.843 52 A HA 0.258 4.596 4.320 0.031 0.000 0.248 52 A C -0.213 177.205 177.584 -0.277 0.000 0.904 52 A CA -0.593 51.378 52.037 -0.110 0.000 1.091 52 A CB -0.378 18.576 19.000 -0.077 0.000 1.208 52 A HN 0.784 nan 8.150 nan 0.000 0.476 53 E N 0.301 120.257 120.200 -0.408 0.000 2.502 53 E HA 0.361 4.729 4.350 0.031 0.000 0.261 53 E C 1.024 177.278 176.600 -0.576 0.000 0.974 53 E CA 1.500 57.397 56.400 -0.839 0.000 0.936 53 E CB 0.482 29.578 29.700 -1.006 0.000 0.926 53 E HN 1.106 nan 8.360 nan 0.000 0.459 54 G N 1.610 109.951 108.800 -0.765 0.000 2.428 54 G HA2 -0.201 3.778 3.960 0.031 0.000 0.202 54 G HA3 -0.201 3.778 3.960 0.031 0.000 0.202 54 G C -1.492 173.087 174.900 -0.535 0.000 1.247 54 G CA -0.742 44.263 45.100 -0.158 0.000 1.020 54 G HN 0.431 nan 8.290 nan 0.000 0.529 55 Y N -0.213 120.136 120.300 0.083 0.000 2.609 55 Y HA 0.606 5.176 4.550 0.032 0.000 0.342 55 Y C -2.082 173.844 175.900 0.044 0.000 1.058 55 Y CA -1.834 56.304 58.100 0.064 0.000 1.055 55 Y CB 2.012 40.535 38.460 0.104 0.000 1.292 55 Y HN 0.436 nan 8.280 nan 0.000 0.476 56 P HA 0.046 nan 4.420 nan 0.000 0.261 56 P C 0.598 177.955 177.300 0.095 0.000 1.183 56 P CA 2.115 65.280 63.100 0.109 0.000 0.761 56 P CB 0.229 31.993 31.700 0.106 0.000 0.785 57 G N 3.137 111.968 108.800 0.052 0.000 2.189 57 G HA2 -0.275 3.704 3.960 0.031 0.000 0.267 57 G HA3 -0.275 3.704 3.960 0.031 0.000 0.267 57 G C 0.481 175.404 174.900 0.037 0.000 0.975 57 G CA -0.185 44.935 45.100 0.035 0.000 0.644 57 G HN 0.562 nan 8.290 nan 0.000 0.537 58 R N -0.027 120.511 120.500 0.064 0.000 2.647 58 R HA 0.246 4.604 4.340 0.031 0.000 0.295 58 R C 0.305 176.637 176.300 0.053 0.000 1.267 58 R CA -0.455 55.679 56.100 0.057 0.000 1.386 58 R CB 0.377 30.746 30.300 0.115 0.000 1.309 58 R HN 0.269 nan 8.270 nan 0.000 0.692 59 R N -0.214 120.297 120.500 0.018 0.000 2.532 59 R HA 0.283 4.641 4.340 0.031 0.000 0.272 59 R C 0.772 177.075 176.300 0.005 0.000 1.032 59 R CA -0.470 55.653 56.100 0.037 0.000 1.089 59 R CB 0.625 30.945 30.300 0.035 0.000 1.098 59 R HN 0.176 nan 8.270 nan 0.000 0.526 60 Y N -0.490 119.813 120.300 0.005 0.000 2.420 60 Y HA 0.061 4.629 4.550 0.030 0.000 0.292 60 Y C 0.526 176.590 175.900 0.272 0.000 1.119 60 Y CA 0.851 59.005 58.100 0.089 0.000 1.229 60 Y CB 0.367 38.842 38.460 0.026 0.000 1.026 60 Y HN 0.414 nan 8.280 nan 0.000 0.554 61 Y N -0.352 120.011 120.300 0.106 0.000 2.487 61 Y HA 0.465 5.033 4.550 0.029 0.000 0.337 61 Y C 0.931 176.842 175.900 0.019 0.000 1.076 61 Y CA -1.500 56.631 58.100 0.053 0.000 1.115 61 Y CB 1.225 39.717 38.460 0.053 0.000 1.235 61 Y HN -0.117 nan 8.280 nan 0.000 0.468 62 G N -0.127 108.753 108.800 0.134 0.000 2.653 62 G HA2 0.356 4.335 3.960 0.031 0.000 0.265 62 G HA3 0.356 4.335 3.960 0.031 0.000 0.265 62 G C 0.818 175.752 174.900 0.057 0.000 1.237 62 G CA 0.062 45.195 45.100 0.055 0.000 0.946 62 G HN 1.123 nan 8.290 nan 0.000 0.522 63 G N -2.476 106.327 108.800 0.006 0.000 2.155 63 G HA2 -0.299 3.680 3.960 0.031 0.000 0.257 63 G HA3 -0.299 3.680 3.960 0.031 0.000 0.257 63 G C 0.914 175.797 174.900 -0.028 0.000 0.983 63 G CA 0.641 45.736 45.100 -0.008 0.000 0.676 63 G HN 0.952 nan 8.290 nan 0.000 0.528 64 C N 0.434 119.712 119.300 -0.036 0.000 2.625 64 C HA 0.344 4.823 4.460 0.031 0.000 0.285 64 C C 2.246 177.159 174.990 -0.128 0.000 1.279 64 C CA 0.406 59.401 59.018 -0.038 0.000 1.698 64 C CB -0.688 27.052 27.740 0.002 0.000 1.821 64 C HN 0.642 nan 8.230 nan 0.000 0.600 65 E N 0.750 120.768 120.200 -0.303 0.000 2.130 65 E HA -0.204 4.164 4.350 0.031 0.000 0.196 65 E C 1.190 177.560 176.600 -0.383 0.000 0.998 65 E CA 1.824 57.958 56.400 -0.444 0.000 0.806 65 E CB -0.219 29.038 29.700 -0.739 0.000 0.738 65 E HN 0.811 nan 8.360 nan 0.000 0.459 66 Y N -0.853 119.459 120.300 0.021 0.000 2.389 66 Y HA -0.029 4.539 4.550 0.030 0.000 0.292 66 Y C 2.309 178.218 175.900 0.015 0.000 1.117 66 Y CA 0.366 58.475 58.100 0.016 0.000 1.195 66 Y CB -0.236 38.232 38.460 0.012 0.000 1.076 66 Y HN 0.007 nan 8.280 nan 0.000 0.548 67 V N -1.837 118.150 119.914 0.122 0.000 2.626 67 V HA -0.189 3.950 4.120 0.031 0.000 0.252 67 V C 1.342 177.462 176.094 0.042 0.000 1.067 67 V CA 1.975 64.317 62.300 0.070 0.000 1.081 67 V CB -0.454 31.397 31.823 0.046 0.000 0.686 67 V HN 0.178 nan 8.190 nan 0.000 0.468 68 D N 1.011 121.426 120.400 0.025 0.000 2.117 68 D HA -0.081 4.578 4.640 0.031 0.000 0.197 68 D C 2.052 178.378 176.300 0.044 0.000 0.987 68 D CA 1.946 55.961 54.000 0.025 0.000 0.829 68 D CB -0.283 40.519 40.800 0.002 0.000 0.961 68 D HN 0.534 nan 8.370 nan 0.000 0.460 69 I N 0.186 120.791 120.570 0.058 0.000 2.179 69 I HA -0.242 3.946 4.170 0.031 0.000 0.242 69 I C 2.384 178.537 176.117 0.060 0.000 1.088 69 I CA 0.620 61.962 61.300 0.069 0.000 1.357 69 I CB -0.179 37.883 38.000 0.104 0.000 1.051 69 I HN -0.095 nan 8.210 nan 0.000 0.409 70 V N 0.665 120.615 119.914 0.059 0.000 2.287 70 V HA -0.329 3.810 4.120 0.031 0.000 0.248 70 V C 2.495 178.608 176.094 0.032 0.000 1.053 70 V CA 2.321 64.644 62.300 0.038 0.000 1.027 70 V CB -0.635 31.208 31.823 0.032 0.000 0.646 70 V HN 0.497 nan 8.190 nan 0.000 0.447 71 E N -0.318 119.905 120.200 0.037 0.000 2.077 71 E HA -0.223 4.145 4.350 0.031 0.000 0.193 71 E C 2.237 178.877 176.600 0.067 0.000 0.989 71 E CA 1.185 57.612 56.400 0.046 0.000 0.800 71 E CB -0.012 29.716 29.700 0.047 0.000 0.746 71 E HN 0.567 nan 8.360 nan 0.000 0.452 72 E N 0.529 120.768 120.200 0.065 0.000 2.106 72 E HA -0.173 4.196 4.350 0.031 0.000 0.192 72 E C 2.324 178.964 176.600 0.066 0.000 0.984 72 E CA 0.684 57.123 56.400 0.066 0.000 0.806 72 E CB -0.178 29.557 29.700 0.059 0.000 0.750 72 E HN 0.401 nan 8.360 nan 0.000 0.458 73 L N 0.614 121.874 121.223 0.061 0.000 2.042 73 L HA -0.210 4.149 4.340 0.031 0.000 0.210 73 L C 2.604 179.535 176.870 0.101 0.000 1.076 73 L CA 1.262 56.140 54.840 0.064 0.000 0.749 73 L CB -0.577 41.509 42.059 0.045 0.000 0.893 73 L HN 0.075 nan 8.230 nan 0.000 0.432 74 A N 0.163 123.046 122.820 0.105 0.000 1.865 74 A HA -0.224 4.114 4.320 0.031 0.000 0.217 74 A C 2.386 180.138 177.584 0.281 0.000 1.191 74 A CA 1.693 53.854 52.037 0.206 0.000 0.623 74 A CB -0.518 18.547 19.000 0.108 0.000 0.826 74 A HN 0.333 nan 8.150 nan 0.000 0.444 75 R N -0.679 119.909 120.500 0.147 0.000 2.073 75 R HA -0.105 4.253 4.340 0.031 0.000 0.234 75 R C 2.089 178.418 176.300 0.047 0.000 1.134 75 R CA 1.362 57.506 56.100 0.073 0.000 0.952 75 R CB -0.388 29.926 30.300 0.023 0.000 0.850 75 R HN 0.497 nan 8.270 nan 0.000 0.433 76 E N 0.757 120.992 120.200 0.057 0.000 2.072 76 E HA -0.143 4.225 4.350 0.031 0.000 0.191 76 E C 2.061 178.679 176.600 0.030 0.000 0.985 76 E CA 1.109 57.531 56.400 0.037 0.000 0.801 76 E CB -0.119 29.604 29.700 0.039 0.000 0.750 76 E HN 0.312 nan 8.360 nan 0.000 0.452 77 R N 0.558 121.099 120.500 0.069 0.000 2.092 77 R HA -0.029 4.330 4.340 0.031 0.000 0.231 77 R C 2.346 178.610 176.300 -0.061 0.000 1.119 77 R CA 1.179 57.312 56.100 0.054 0.000 0.970 77 R CB -0.305 30.094 30.300 0.164 0.000 0.864 77 R HN 0.103 nan 8.270 nan 0.000 0.440 78 A N 1.503 124.263 122.820 -0.100 0.000 1.902 78 A HA -0.178 4.161 4.320 0.031 0.000 0.217 78 A C 1.866 179.405 177.584 -0.076 0.000 1.181 78 A CA 1.326 53.181 52.037 -0.302 0.000 0.623 78 A CB -0.229 18.584 19.000 -0.311 0.000 0.818 78 A HN 0.183 nan 8.150 nan 0.000 0.443 79 K N -0.546 119.831 120.400 -0.038 0.000 2.057 79 K HA -0.164 4.174 4.320 0.031 0.000 0.207 79 K C 2.338 178.923 176.600 -0.025 0.000 1.049 79 K CA 1.577 57.861 56.287 -0.007 0.000 0.931 79 K CB -0.214 32.285 32.500 -0.002 0.000 0.714 79 K HN 0.617 nan 8.250 nan 0.000 0.440 80 Q N 0.540 120.308 119.800 -0.053 0.000 2.050 80 Q HA -0.171 4.188 4.340 0.031 0.000 0.202 80 Q C 2.173 178.089 176.000 -0.140 0.000 0.980 80 Q CA 1.102 56.862 55.803 -0.071 0.000 0.840 80 Q CB -0.147 28.554 28.738 -0.061 0.000 0.898 80 Q HN 0.144 nan 8.270 nan 0.000 0.424 81 L N -0.689 120.381 121.223 -0.256 0.000 2.083 81 L HA -0.127 4.231 4.340 0.031 0.000 0.209 81 L C 1.281 177.768 176.870 -0.639 0.000 1.083 81 L CA 1.792 56.317 54.840 -0.525 0.000 0.752 81 L CB -0.060 41.509 42.059 -0.816 0.000 0.899 81 L HN 0.125 nan 8.230 nan 0.000 0.433 82 F N -1.016 118.866 119.950 -0.114 0.000 2.682 82 F HA 0.416 4.960 4.527 0.028 0.000 0.308 82 F C 1.690 177.453 175.800 -0.062 0.000 1.093 82 F CA 0.165 58.113 58.000 -0.087 0.000 1.244 82 F CB -0.299 38.626 39.000 -0.124 0.000 1.052 82 F HN 0.053 nan 8.300 nan 0.000 0.573 83 G N 1.402 110.239 108.800 0.062 0.000 2.249 83 G HA2 -0.111 3.867 3.960 0.031 0.000 0.273 83 G HA3 -0.111 3.867 3.960 0.031 0.000 0.273 83 G C 0.267 175.188 174.900 0.035 0.000 1.036 83 G CA 0.131 45.250 45.100 0.031 0.000 0.824 83 G HN 0.656 nan 8.290 nan 0.000 0.504 84 A N -0.902 121.950 122.820 0.052 0.000 2.293 84 A HA 0.775 5.113 4.320 0.031 0.000 0.302 84 A C 1.036 178.639 177.584 0.033 0.000 1.119 84 A CA 0.352 52.409 52.037 0.034 0.000 0.823 84 A CB 0.652 19.670 19.000 0.030 0.000 1.097 84 A HN 0.380 nan 8.150 nan 0.000 0.491 85 E N -0.685 119.542 120.200 0.044 0.000 2.230 85 E HA -0.015 4.354 4.350 0.031 0.000 0.192 85 E C -0.263 176.413 176.600 0.126 0.000 0.987 85 E CA 0.790 57.225 56.400 0.059 0.000 0.841 85 E CB 0.110 29.834 29.700 0.040 0.000 0.783 85 E HN 0.735 nan 8.360 nan 0.000 0.481 86 H N -0.894 118.185 119.070 0.015 0.000 2.894 86 H HA 0.561 5.136 4.556 0.032 0.000 0.367 86 H C -1.741 173.604 175.328 0.027 0.000 1.144 86 H CA -0.604 55.457 56.048 0.022 0.000 1.180 86 H CB 1.707 31.485 29.762 0.028 0.000 1.758 86 H HN -0.013 nan 8.280 nan 0.000 0.541 87 A N 3.959 126.422 122.820 -0.595 0.000 2.386 87 A HA 0.444 4.782 4.320 0.031 0.000 0.311 87 A C -1.148 176.139 177.584 -0.496 0.000 1.068 87 A CA -0.869 50.943 52.037 -0.376 0.000 0.743 87 A CB 1.269 20.170 19.000 -0.165 0.000 1.258 87 A HN 0.720 nan 8.150 nan 0.000 0.429 88 N N 2.002 120.597 118.700 -0.175 0.000 2.479 88 N HA 0.312 5.070 4.740 0.031 0.000 0.261 88 N C 0.092 175.630 175.510 0.048 0.000 0.979 88 N CA -0.150 52.896 53.050 -0.007 0.000 0.930 88 N CB 1.911 40.462 38.487 0.106 0.000 1.172 88 N HN 0.713 nan 8.380 nan 0.000 0.499 89 V N 1.331 121.296 119.914 0.085 0.000 3.542 89 V HA 0.216 4.355 4.120 0.031 0.000 0.296 89 V C 1.292 177.417 176.094 0.052 0.000 1.364 89 V CA 0.315 62.675 62.300 0.100 0.000 1.118 89 V CB -0.052 31.857 31.823 0.144 0.000 0.972 89 V HN 0.541 nan 8.190 nan 0.000 0.430 90 Q N 0.671 120.497 119.800 0.042 0.000 2.389 90 Q HA 0.170 4.528 4.340 0.031 0.000 0.204 90 Q C -1.591 174.333 176.000 -0.126 0.000 0.944 90 Q CA -0.422 55.356 55.803 -0.042 0.000 0.908 90 Q CB -0.753 27.953 28.738 -0.054 0.000 1.002 90 Q HN 0.563 nan 8.270 nan 0.000 0.493 91 P HA -0.091 nan 4.420 nan 0.000 0.264 91 P C -0.078 177.175 177.300 -0.079 0.000 1.193 91 P CA 0.510 63.536 63.100 -0.123 0.000 0.763 91 P CB 0.436 32.108 31.700 -0.048 0.000 0.810 92 H N 0.458 119.510 119.070 -0.030 0.000 2.518 92 H HA 0.010 4.584 4.556 0.031 0.000 0.289 92 H C 0.965 176.280 175.328 -0.022 0.000 1.051 92 H CA 1.135 57.157 56.048 -0.043 0.000 1.280 92 H CB 0.052 29.783 29.762 -0.051 0.000 1.380 92 H HN 0.506 nan 8.280 nan 0.000 0.566 93 S N -2.879 112.884 115.700 0.104 0.000 2.615 93 S HA 0.389 4.877 4.470 0.031 0.000 0.268 93 S C 1.259 175.898 174.600 0.065 0.000 1.146 93 S CA -0.377 57.884 58.200 0.102 0.000 0.818 93 S CB 1.071 64.327 63.200 0.093 0.000 1.111 93 S HN 0.093 nan 8.310 nan 0.000 0.465 94 G N 0.747 109.588 108.800 0.068 0.000 2.422 94 G HA2 0.111 4.089 3.960 0.031 0.000 0.218 94 G HA3 0.111 4.089 3.960 0.031 0.000 0.218 94 G C 1.519 176.419 174.900 -0.001 0.000 1.146 94 G CA 1.148 46.238 45.100 -0.016 0.000 0.769 94 G HN 1.378 nan 8.290 nan 0.000 0.547 95 A N 0.208 123.064 122.820 0.059 0.000 1.883 95 A HA -0.113 4.225 4.320 0.031 0.000 0.217 95 A C 2.377 180.001 177.584 0.067 0.000 1.186 95 A CA 2.210 54.323 52.037 0.127 0.000 0.624 95 A CB -0.410 18.690 19.000 0.167 0.000 0.822 95 A HN 0.344 nan 8.150 nan 0.000 0.444 96 Q N -0.531 119.274 119.800 0.008 0.000 2.167 96 Q HA 0.102 4.461 4.340 0.031 0.000 0.202 96 Q C 2.274 178.234 176.000 -0.067 0.000 0.970 96 Q CA 1.523 57.293 55.803 -0.055 0.000 0.855 96 Q CB -0.659 28.051 28.738 -0.048 0.000 0.911 96 Q HN 0.649 nan 8.270 nan 0.000 0.438 97 A N 0.808 123.597 122.820 -0.052 0.000 1.877 97 A HA -0.240 4.098 4.320 0.031 0.000 0.216 97 A C 1.812 179.319 177.584 -0.128 0.000 1.186 97 A CA 1.805 53.798 52.037 -0.074 0.000 0.620 97 A CB -0.624 18.338 19.000 -0.064 0.000 0.822 97 A HN 0.344 nan 8.150 nan 0.000 0.443 98 N N -0.590 118.026 118.700 -0.140 0.000 2.084 98 N HA -0.161 4.597 4.740 0.031 0.000 0.190 98 N C 1.737 176.994 175.510 -0.421 0.000 1.030 98 N CA 1.712 54.559 53.050 -0.339 0.000 0.849 98 N CB -0.547 37.812 38.487 -0.214 0.000 1.012 98 N HN 0.633 nan 8.380 nan 0.000 0.423 99 M N 0.608 120.198 119.600 -0.016 0.000 2.106 99 M HA -0.193 4.305 4.480 0.031 0.000 0.259 99 M C 1.828 178.174 176.300 0.076 0.000 1.068 99 M CA 1.827 57.209 55.300 0.136 0.000 1.100 99 M CB -0.034 32.431 32.600 -0.225 0.000 1.351 99 M HN 0.197 nan 8.290 nan 0.000 0.404 100 A N -0.588 122.208 122.820 -0.041 0.000 1.898 100 A HA -0.103 4.235 4.320 0.031 0.000 0.216 100 A C 2.019 179.584 177.584 -0.031 0.000 1.181 100 A CA 1.807 53.843 52.037 -0.002 0.000 0.620 100 A CB -1.070 17.910 19.000 -0.032 0.000 0.819 100 A HN 0.428 nan 8.150 nan 0.000 0.442 101 V N -0.970 118.822 119.914 -0.203 0.000 2.343 101 V HA -0.272 3.867 4.120 0.031 0.000 0.247 101 V C 2.445 178.368 176.094 -0.286 0.000 1.051 101 V CA 1.894 63.943 62.300 -0.419 0.000 1.036 101 V CB -1.134 30.377 31.823 -0.520 0.000 0.654 101 V HN 0.626 nan 8.190 nan 0.000 0.451 102 Y N -0.814 119.414 120.300 -0.120 0.000 2.165 102 Y HA -0.213 4.356 4.550 0.032 0.000 0.286 102 Y C 2.296 178.184 175.900 -0.020 0.000 1.155 102 Y CA 1.037 59.049 58.100 -0.148 0.000 1.164 102 Y CB -1.221 37.266 38.460 0.044 0.000 0.978 102 Y HN 0.293 nan 8.280 nan 0.000 0.513 103 F N 0.617 120.660 119.950 0.154 0.000 2.216 103 F HA -0.188 4.358 4.527 0.032 0.000 0.300 103 F C 2.160 177.956 175.800 -0.006 0.000 1.085 103 F CA 1.762 59.834 58.000 0.119 0.000 1.326 103 F CB -0.431 38.621 39.000 0.087 0.000 1.027 103 F HN -0.055 nan 8.300 nan 0.000 0.497 104 T N -0.538 113.976 114.554 -0.066 0.000 2.770 104 T HA -0.101 4.267 4.350 0.031 0.000 0.263 104 T C 1.873 176.402 174.700 -0.284 0.000 1.039 104 T CA 1.964 63.941 62.100 -0.204 0.000 1.142 104 T CB -0.411 68.282 68.868 -0.293 0.000 0.868 104 T HN 0.235 nan 8.240 nan 0.000 0.435 105 V N -1.839 117.857 119.914 -0.364 0.000 3.645 105 V HA 0.487 4.626 4.120 0.031 0.000 0.275 105 V C 0.349 176.311 176.094 -0.220 0.000 1.356 105 V CA -0.219 61.852 62.300 -0.380 0.000 1.051 105 V CB -0.431 30.933 31.823 -0.765 0.000 0.828 105 V HN 0.220 nan 8.190 nan 0.000 0.441 106 L N 0.900 122.008 121.223 -0.192 0.000 2.334 106 L HA 0.685 5.043 4.340 0.031 0.000 0.273 106 L C -0.003 176.888 176.870 0.035 0.000 1.013 106 L CA -0.432 54.333 54.840 -0.125 0.000 0.816 106 L CB 1.846 43.674 42.059 -0.385 0.000 1.278 106 L HN 0.052 nan 8.230 nan 0.000 0.431 107 E N 0.622 120.872 120.200 0.084 0.000 2.250 107 E HA 0.145 4.513 4.350 0.031 0.000 0.269 107 E C -0.572 176.182 176.600 0.257 0.000 1.018 107 E CA -0.639 55.845 56.400 0.139 0.000 0.873 107 E CB 1.247 30.992 29.700 0.075 0.000 1.134 107 E HN 0.455 nan 8.360 nan 0.000 0.403 108 H N 0.528 119.670 119.070 0.120 0.000 3.192 108 H HA -0.101 4.474 4.556 0.030 0.000 0.295 108 H C 0.896 176.253 175.328 0.048 0.000 0.943 108 H CA 1.876 57.941 56.048 0.027 0.000 1.416 108 H CB 0.128 29.881 29.762 -0.015 0.000 1.434 108 H HN 0.801 nan 8.280 nan 0.000 0.565 109 G N 4.477 113.014 108.800 -0.438 0.000 2.175 109 G HA2 -0.252 3.726 3.960 0.031 0.000 0.244 109 G HA3 -0.252 3.726 3.960 0.031 0.000 0.244 109 G C 0.077 174.926 174.900 -0.085 0.000 0.982 109 G CA 0.219 45.127 45.100 -0.320 0.000 0.641 109 G HN 0.690 nan 8.290 nan 0.000 0.527 110 D N 1.306 121.716 120.400 0.016 0.000 2.449 110 D HA 0.402 5.061 4.640 0.031 0.000 0.236 110 D C 0.884 177.125 176.300 -0.097 0.000 1.149 110 D CA 0.841 54.828 54.000 -0.022 0.000 0.878 110 D CB 0.643 41.426 40.800 -0.028 0.000 1.198 110 D HN 0.125 nan 8.370 nan 0.000 0.446 111 T N 1.254 115.733 114.554 -0.124 0.000 2.832 111 T HA 0.405 4.774 4.350 0.031 0.000 0.296 111 T C 0.015 174.528 174.700 -0.312 0.000 0.968 111 T CA -0.524 61.464 62.100 -0.188 0.000 1.107 111 T CB 0.756 69.566 68.868 -0.097 0.000 0.916 111 T HN -0.005 nan 8.240 nan 0.000 0.517 112 V N 4.141 123.725 119.914 -0.550 0.000 2.735 112 V HA 0.550 4.689 4.120 0.031 0.000 0.310 112 V C -0.709 175.055 176.094 -0.551 0.000 1.061 112 V CA -1.051 60.809 62.300 -0.735 0.000 0.913 112 V CB 1.988 32.891 31.823 -1.532 0.000 1.005 112 V HN 0.666 nan 8.190 nan 0.000 0.428 113 L N 3.673 124.759 121.223 -0.227 0.000 2.305 113 L HA 0.961 5.320 4.340 0.031 0.000 0.284 113 L C 0.194 177.162 176.870 0.163 0.000 1.013 113 L CA 0.469 55.317 54.840 0.015 0.000 0.819 113 L CB 0.962 43.104 42.059 0.138 0.000 1.227 113 L HN 0.812 nan 8.230 nan 0.000 0.417 114 G N 3.966 112.850 108.800 0.140 0.000 2.730 114 G HA2 0.440 4.418 3.960 0.031 0.000 0.289 114 G HA3 0.440 4.418 3.960 0.031 0.000 0.289 114 G C -1.228 173.299 174.900 -0.621 0.000 1.341 114 G CA -0.971 44.149 45.100 0.033 0.000 0.932 114 G HN 0.657 nan 8.290 nan 0.000 0.481 115 M N 1.694 120.865 119.600 -0.715 0.000 2.219 115 M HA 0.154 4.653 4.480 0.031 0.000 0.353 115 M C 0.580 176.590 176.300 -0.483 0.000 1.304 115 M CA -0.632 54.098 55.300 -0.951 0.000 1.115 115 M CB 0.391 32.772 32.600 -0.364 0.000 1.664 115 M HN 0.589 nan 8.290 nan 0.000 0.459 116 N N 4.547 122.936 118.700 -0.518 0.000 2.301 116 N HA -0.091 4.667 4.740 0.031 0.000 0.267 116 N C 0.723 176.062 175.510 -0.285 0.000 1.304 116 N CA 0.355 53.142 53.050 -0.438 0.000 0.851 116 N CB 0.463 38.481 38.487 -0.782 0.000 1.070 116 N HN 0.791 nan 8.380 nan 0.000 0.483 117 L N 2.545 123.629 121.223 -0.231 0.000 2.131 117 L HA -0.193 4.166 4.340 0.031 0.000 0.210 117 L C 2.098 178.886 176.870 -0.135 0.000 1.092 117 L CA 1.423 56.158 54.840 -0.174 0.000 0.759 117 L CB -0.756 41.187 42.059 -0.193 0.000 0.903 117 L HN 0.619 nan 8.230 nan 0.000 0.435 118 S N -2.569 113.051 115.700 -0.133 0.000 2.603 118 S HA -0.068 4.420 4.470 0.031 0.000 0.220 118 S C 1.309 175.970 174.600 0.102 0.000 0.967 118 S CA 0.113 58.287 58.200 -0.044 0.000 0.920 118 S CB -0.479 62.696 63.200 -0.042 0.000 0.773 118 S HN 0.557 nan 8.310 nan 0.000 0.529 119 H N -0.304 118.664 119.070 -0.169 0.000 2.755 119 H HA 0.376 4.950 4.556 0.030 0.000 0.273 119 H C 1.479 176.772 175.328 -0.058 0.000 1.055 119 H CA 0.012 55.979 56.048 -0.135 0.000 1.191 119 H CB 0.857 30.522 29.762 -0.161 0.000 1.536 119 H HN 0.597 nan 8.280 nan 0.000 0.529 120 G N 0.609 109.437 108.800 0.047 0.000 2.613 120 G HA2 -0.174 3.804 3.960 0.031 0.000 0.199 120 G HA3 -0.174 3.804 3.960 0.031 0.000 0.199 120 G C 0.686 175.600 174.900 0.024 0.000 0.991 120 G CA -0.340 44.786 45.100 0.043 0.000 0.756 120 G HN 0.498 nan 8.290 nan 0.000 0.515 121 G N -0.170 108.624 108.800 -0.011 0.000 2.594 121 G HA2 0.444 4.422 3.960 0.031 0.000 0.243 121 G HA3 0.444 4.422 3.960 0.031 0.000 0.243 121 G C -0.217 174.656 174.900 -0.046 0.000 1.229 121 G CA 0.055 45.179 45.100 0.040 0.000 0.843 121 G HN 0.409 nan 8.290 nan 0.000 0.578 122 H N 1.228 120.106 119.070 -0.319 0.000 2.482 122 H HA 0.124 4.698 4.556 0.031 0.000 0.344 122 H C 1.456 176.525 175.328 -0.432 0.000 1.151 122 H CA -0.804 54.947 56.048 -0.496 0.000 1.300 122 H CB 1.703 30.992 29.762 -0.789 0.000 1.494 122 H HN 0.324 nan 8.280 nan 0.000 0.542 123 L N 3.331 124.032 121.223 -0.870 0.000 2.064 123 L HA -0.254 4.104 4.340 0.031 0.000 0.216 123 L C 2.325 178.991 176.870 -0.340 0.000 1.077 123 L CA 2.678 57.183 54.840 -0.559 0.000 0.766 123 L CB -0.736 40.976 42.059 -0.577 0.000 0.890 123 L HN 0.849 nan 8.230 nan 0.000 0.435 124 T N -4.777 109.700 114.554 -0.129 0.000 3.215 124 T HA -0.056 4.313 4.350 0.031 0.000 0.254 124 T C 0.861 175.593 174.700 0.053 0.000 1.149 124 T CA 0.660 62.778 62.100 0.029 0.000 1.042 124 T CB -0.983 68.068 68.868 0.304 0.000 0.966 124 T HN 0.634 nan 8.240 nan 0.000 0.534 125 H N 0.553 119.509 119.070 -0.190 0.000 2.577 125 H HA 0.495 5.070 4.556 0.031 0.000 0.306 125 H C 1.409 176.106 175.328 -1.052 0.000 1.109 125 H CA -0.464 55.376 56.048 -0.346 0.000 1.063 125 H CB 0.040 29.767 29.762 -0.058 0.000 1.535 125 H HN 0.506 nan 8.280 nan 0.000 0.532 126 G N 0.885 108.910 108.800 -1.291 0.000 2.159 126 G HA2 -0.287 3.692 3.960 0.031 0.000 0.170 126 G HA3 -0.287 3.692 3.960 0.031 0.000 0.170 126 G C 0.247 174.816 174.900 -0.552 0.000 1.007 126 G CA 0.006 44.266 45.100 -1.400 0.000 0.672 126 G HN 0.410 nan 8.290 nan 0.000 0.507 127 S N 1.260 116.711 115.700 -0.414 0.000 2.552 127 S HA 0.393 4.882 4.470 0.031 0.000 0.289 127 S C 0.036 174.520 174.600 -0.192 0.000 1.304 127 S CA 0.033 58.080 58.200 -0.255 0.000 1.063 127 S CB 1.070 64.137 63.200 -0.223 0.000 0.848 127 S HN 0.189 nan 8.310 nan 0.000 0.499 128 P HA -0.010 nan 4.420 nan 0.000 0.234 128 P C 0.948 178.217 177.300 -0.050 0.000 1.167 128 P CA 0.661 63.715 63.100 -0.077 0.000 0.763 128 P CB -0.303 31.367 31.700 -0.050 0.000 0.835 129 V N -4.561 115.321 119.914 -0.052 0.000 3.578 129 V HA 0.278 4.416 4.120 0.031 0.000 0.290 129 V C 0.712 176.800 176.094 -0.010 0.000 1.376 129 V CA -0.413 61.877 62.300 -0.018 0.000 1.083 129 V CB -0.847 30.976 31.823 0.000 0.000 0.911 129 V HN 0.010 nan 8.190 nan 0.000 0.433 130 N N 0.633 119.302 118.700 -0.051 0.000 2.430 130 N HA 0.233 4.992 4.740 0.031 0.000 0.298 130 N C 1.005 176.500 175.510 -0.025 0.000 1.130 130 N CA -0.120 52.915 53.050 -0.025 0.000 0.894 130 N CB 2.116 40.528 38.487 -0.126 0.000 1.209 130 N HN 0.220 nan 8.380 nan 0.000 0.503 131 F N 2.240 122.207 119.950 0.029 0.000 2.192 131 F HA -0.186 4.359 4.527 0.031 0.000 0.301 131 F C 2.289 178.130 175.800 0.068 0.000 1.079 131 F CA 1.519 59.548 58.000 0.047 0.000 1.303 131 F CB -1.013 38.036 39.000 0.082 0.000 1.024 131 F HN 0.450 nan 8.300 nan 0.000 0.494 132 S N 0.438 115.523 115.700 -1.025 0.000 2.356 132 S HA -0.060 4.429 4.470 0.031 0.000 0.223 132 S C 2.285 176.759 174.600 -0.211 0.000 1.032 132 S CA 0.987 58.795 58.200 -0.654 0.000 1.005 132 S CB -1.662 61.074 63.200 -0.773 0.000 0.867 132 S HN 0.567 nan 8.310 nan 0.000 0.449 133 G N 0.437 109.062 108.800 -0.291 0.000 2.511 133 G HA2 0.090 4.069 3.960 0.031 0.000 0.217 133 G HA3 0.090 4.069 3.960 0.031 0.000 0.217 133 G C 1.311 176.183 174.900 -0.046 0.000 1.133 133 G CA 0.668 45.691 45.100 -0.130 0.000 0.792 133 G HN 0.481 nan 8.290 nan 0.000 0.539 134 V N -0.008 119.868 119.914 -0.063 0.000 2.599 134 V HA -0.052 4.086 4.120 0.031 0.000 0.245 134 V C 2.522 178.578 176.094 -0.063 0.000 1.046 134 V CA 1.882 64.165 62.300 -0.028 0.000 1.065 134 V CB 0.380 32.212 31.823 0.015 0.000 0.703 134 V HN 0.423 nan 8.190 nan 0.000 0.464 135 Q N -0.775 118.925 119.800 -0.166 0.000 2.250 135 Q HA 0.066 4.424 4.340 0.031 0.000 0.200 135 Q C -0.122 175.443 176.000 -0.724 0.000 0.941 135 Q CA 0.979 56.538 55.803 -0.407 0.000 0.872 135 Q CB 0.235 28.628 28.738 -0.575 0.000 0.965 135 Q HN 0.636 nan 8.270 nan 0.000 0.480 136 Y N -0.782 119.494 120.300 -0.040 0.000 2.570 136 Y HA 0.408 4.976 4.550 0.030 0.000 0.345 136 Y C -0.592 175.267 175.900 -0.067 0.000 1.014 136 Y CA -1.916 56.114 58.100 -0.117 0.000 1.063 136 Y CB 0.855 39.203 38.460 -0.187 0.000 1.272 136 Y HN -0.160 nan 8.280 nan 0.000 0.477 137 N N 1.375 120.075 118.700 0.000 0.000 2.602 137 N HA 0.221 4.979 4.740 0.031 0.000 0.238 137 N C -1.734 173.714 175.510 -0.104 0.000 1.084 137 N CA -0.094 52.932 53.050 -0.040 0.000 0.952 137 N CB -0.314 38.128 38.487 -0.075 0.000 1.244 137 N HN 0.415 nan 8.380 nan 0.000 0.512 138 F N 2.425 122.306 119.950 -0.114 0.000 2.427 138 F HA 0.261 4.806 4.527 0.031 0.000 0.352 138 F C 0.748 176.445 175.800 -0.173 0.000 1.100 138 F CA -0.401 57.515 58.000 -0.139 0.000 1.191 138 F CB 0.846 39.764 39.000 -0.137 0.000 1.128 138 F HN 0.135 nan 8.300 nan 0.000 0.533 139 V N 0.716 120.581 119.914 -0.082 0.000 3.046 139 V HA 0.984 5.123 4.120 0.031 0.000 0.316 139 V C -0.639 175.411 176.094 -0.074 0.000 1.104 139 V CA -1.173 61.021 62.300 -0.177 0.000 1.006 139 V CB 1.416 32.932 31.823 -0.511 0.000 1.058 139 V HN 0.885 nan 8.190 nan 0.000 0.440 140 A N 2.115 124.875 122.820 -0.099 0.000 2.365 140 A HA 0.912 5.251 4.320 0.031 0.000 0.318 140 A C -0.964 176.577 177.584 -0.072 0.000 1.091 140 A CA -0.712 51.234 52.037 -0.151 0.000 0.763 140 A CB 1.344 20.215 19.000 -0.215 0.000 1.248 140 A HN 1.537 nan 8.150 nan 0.000 0.442 141 Y N 0.197 120.484 120.300 -0.022 0.000 2.453 141 Y HA 0.833 5.401 4.550 0.031 0.000 0.326 141 Y C 0.476 176.340 175.900 -0.059 0.000 1.186 141 Y CA -0.893 57.193 58.100 -0.023 0.000 1.200 141 Y CB 0.944 39.400 38.460 -0.007 0.000 1.247 141 Y HN 0.769 nan 8.280 nan 0.000 0.482 142 G N 0.367 109.280 108.800 0.188 0.000 2.685 142 G HA2 0.582 4.560 3.960 0.031 0.000 0.298 142 G HA3 0.582 4.560 3.960 0.031 0.000 0.298 142 G C -0.978 174.120 174.900 0.330 0.000 1.277 142 G CA -0.733 44.500 45.100 0.222 0.000 0.986 142 G HN 1.073 nan 8.290 nan 0.000 0.487 143 V N -1.692 118.489 119.914 0.445 0.000 2.863 143 V HA 0.475 4.614 4.120 0.031 0.000 0.307 143 V C 0.278 176.569 176.094 0.329 0.000 1.061 143 V CA -1.121 61.351 62.300 0.287 0.000 1.024 143 V CB 1.701 33.679 31.823 0.259 0.000 1.049 143 V HN 0.691 nan 8.190 nan 0.000 0.471 144 D N 2.958 123.495 120.400 0.228 0.000 2.455 144 D HA 0.138 4.797 4.640 0.031 0.000 0.241 144 D C -1.753 174.641 176.300 0.157 0.000 1.138 144 D CA -1.084 53.009 54.000 0.155 0.000 0.877 144 D CB 1.990 42.833 40.800 0.071 0.000 1.187 144 D HN 0.426 nan 8.370 nan 0.000 0.451 145 P HA -0.071 nan 4.420 nan 0.000 0.222 145 P C 0.528 177.749 177.300 -0.132 0.000 1.147 145 P CA 0.991 63.956 63.100 -0.226 0.000 0.790 145 P CB 0.476 31.862 31.700 -0.523 0.000 0.780 146 E N -1.450 118.632 120.200 -0.197 0.000 2.132 146 E HA -0.041 4.327 4.350 0.031 0.000 0.193 146 E C 1.984 178.272 176.600 -0.521 0.000 0.951 146 E CA 1.462 57.691 56.400 -0.286 0.000 0.843 146 E CB -1.064 28.542 29.700 -0.156 0.000 0.807 146 E HN 0.224 nan 8.360 nan 0.000 0.467 147 T N -2.801 111.556 114.554 -0.329 0.000 3.054 147 T HA -0.036 4.332 4.350 0.031 0.000 0.259 147 T C 0.184 174.769 174.700 -0.193 0.000 1.092 147 T CA 0.867 62.823 62.100 -0.240 0.000 1.121 147 T CB -0.402 68.429 68.868 -0.062 0.000 0.912 147 T HN 0.369 nan 8.240 nan 0.000 0.489 148 H N -0.860 118.265 119.070 0.092 0.000 3.047 148 H HA -0.106 4.469 4.556 0.031 0.000 0.263 148 H C -0.372 175.089 175.328 0.222 0.000 1.168 148 H CA 0.125 56.250 56.048 0.129 0.000 1.152 148 H CB -2.442 27.370 29.762 0.084 0.000 1.278 148 H HN 0.347 nan 8.280 nan 0.000 0.339 149 V N 1.415 121.494 119.914 0.275 0.000 2.607 149 V HA 0.133 4.272 4.120 0.031 0.000 0.289 149 V C 1.362 177.620 176.094 0.273 0.000 1.053 149 V CA -0.484 62.028 62.300 0.354 0.000 0.996 149 V CB 1.405 33.373 31.823 0.242 0.000 0.995 149 V HN 0.200 nan 8.190 nan 0.000 0.476 150 I N 3.467 124.165 120.570 0.213 0.000 2.906 150 I HA -0.076 4.113 4.170 0.031 0.000 0.301 150 I C 0.673 176.664 176.117 -0.211 0.000 1.221 150 I CA 0.622 61.844 61.300 -0.131 0.000 1.435 150 I CB 0.068 37.776 38.000 -0.486 0.000 1.345 150 I HN 0.646 nan 8.210 nan 0.000 0.558 151 D N 6.963 127.288 120.400 -0.125 0.000 2.393 151 D HA 0.046 4.705 4.640 0.031 0.000 0.232 151 D C 0.541 176.713 176.300 -0.214 0.000 1.192 151 D CA -0.062 53.900 54.000 -0.063 0.000 0.882 151 D CB 0.457 41.285 40.800 0.046 0.000 1.038 151 D HN 0.331 nan 8.370 nan 0.000 0.499 152 Y N 1.611 121.839 120.300 -0.119 0.000 2.421 152 Y HA -0.103 4.466 4.550 0.030 0.000 0.292 152 Y C 1.971 177.758 175.900 -0.188 0.000 1.136 152 Y CA 0.651 58.603 58.100 -0.247 0.000 1.255 152 Y CB 0.226 38.530 38.460 -0.261 0.000 0.991 152 Y HN 0.399 nan 8.280 nan 0.000 0.552 153 D N -0.195 120.214 120.400 0.016 0.000 2.178 153 D HA -0.167 4.492 4.640 0.031 0.000 0.202 153 D C 1.534 177.825 176.300 -0.015 0.000 0.974 153 D CA 1.414 55.413 54.000 -0.003 0.000 0.841 153 D CB -0.198 40.610 40.800 0.013 0.000 0.953 153 D HN 0.408 nan 8.370 nan 0.000 0.478 154 D N 0.402 120.794 120.400 -0.015 0.000 2.123 154 D HA -0.113 4.545 4.640 0.031 0.000 0.200 154 D C 2.151 178.451 176.300 -0.001 0.000 0.976 154 D CA 0.512 54.524 54.000 0.020 0.000 0.831 154 D CB 0.159 41.001 40.800 0.071 0.000 0.974 154 D HN -0.110 nan 8.370 nan 0.000 0.469 155 V N 0.646 120.475 119.914 -0.140 0.000 2.252 155 V HA -0.279 3.859 4.120 0.031 0.000 0.249 155 V C 2.634 178.657 176.094 -0.119 0.000 1.056 155 V CA 2.225 64.366 62.300 -0.264 0.000 1.022 155 V CB -0.658 30.737 31.823 -0.714 0.000 0.641 155 V HN 0.236 nan 8.190 nan 0.000 0.445 156 R N -0.079 120.356 120.500 -0.108 0.000 2.073 156 R HA -0.226 4.132 4.340 0.031 0.000 0.234 156 R C 2.436 178.727 176.300 -0.014 0.000 1.134 156 R CA 2.134 58.201 56.100 -0.054 0.000 0.952 156 R CB -0.311 29.960 30.300 -0.049 0.000 0.850 156 R HN 0.696 nan 8.270 nan 0.000 0.433 157 E N 0.164 120.363 120.200 -0.003 0.000 2.051 157 E HA -0.198 4.171 4.350 0.031 0.000 0.192 157 E C 1.606 178.223 176.600 0.028 0.000 0.991 157 E CA 1.106 57.510 56.400 0.007 0.000 0.799 157 E CB 0.181 29.889 29.700 0.013 0.000 0.748 157 E HN 0.153 nan 8.360 nan 0.000 0.449 158 K N 0.311 120.761 120.400 0.083 0.000 2.063 158 K HA -0.135 4.204 4.320 0.031 0.000 0.208 158 K C 2.089 178.799 176.600 0.182 0.000 1.048 158 K CA 1.130 57.535 56.287 0.196 0.000 0.928 158 K CB -0.502 32.142 32.500 0.241 0.000 0.713 158 K HN 0.206 nan 8.250 nan 0.000 0.442 159 A N 1.589 124.472 122.820 0.104 0.000 1.902 159 A HA -0.177 4.161 4.320 0.031 0.000 0.217 159 A C 2.240 179.851 177.584 0.045 0.000 1.181 159 A CA 1.489 53.573 52.037 0.079 0.000 0.623 159 A CB -0.375 18.653 19.000 0.046 0.000 0.818 159 A HN 0.271 nan 8.150 nan 0.000 0.443 160 R N -1.381 119.127 120.500 0.014 0.000 2.115 160 R HA 0.011 4.369 4.340 0.031 0.000 0.226 160 R C 2.084 178.359 176.300 -0.042 0.000 1.100 160 R CA 1.121 57.214 56.100 -0.011 0.000 0.980 160 R CB -0.398 29.892 30.300 -0.017 0.000 0.875 160 R HN 0.484 nan 8.270 nan 0.000 0.445 161 L N 0.138 121.309 121.223 -0.087 0.000 2.023 161 L HA -0.119 4.239 4.340 0.031 0.000 0.205 161 L C 1.809 178.531 176.870 -0.248 0.000 1.073 161 L CA 1.917 56.627 54.840 -0.218 0.000 0.745 161 L CB -0.356 41.478 42.059 -0.375 0.000 0.900 161 L HN 0.196 nan 8.230 nan 0.000 0.435 162 H N 0.014 119.084 119.070 -0.000 0.000 2.562 162 H HA 0.234 4.808 4.556 0.031 0.000 0.267 162 H C 0.036 175.354 175.328 -0.016 0.000 0.959 162 H CA 0.146 56.189 56.048 -0.008 0.000 1.204 162 H CB 0.270 30.027 29.762 -0.009 0.000 1.430 162 H HN 0.167 nan 8.280 nan 0.000 0.545 163 R N 0.505 121.052 120.500 0.079 0.000 3.205 163 R HA -0.100 4.258 4.340 0.031 0.000 0.249 163 R C -2.621 173.697 176.300 0.029 0.000 0.937 163 R CA 0.017 56.139 56.100 0.037 0.000 0.641 163 R CB -2.346 27.964 30.300 0.015 0.000 1.114 163 R HN 0.436 nan 8.270 nan 0.000 0.451 164 P HA 0.081 nan 4.420 nan 0.000 0.272 164 P C 0.610 177.900 177.300 -0.017 0.000 1.223 164 P CA -0.277 62.812 63.100 -0.019 0.000 0.784 164 P CB 0.887 32.572 31.700 -0.025 0.000 0.923 165 K N 0.559 120.935 120.400 -0.040 0.000 2.228 165 K HA 0.016 4.354 4.320 0.031 0.000 0.202 165 K C 0.320 176.961 176.600 0.069 0.000 1.051 165 K CA 0.553 56.846 56.287 0.009 0.000 0.960 165 K CB 0.010 32.508 32.500 -0.003 0.000 0.743 165 K HN 0.312 nan 8.250 nan 0.000 0.458 166 L N 0.905 122.125 121.223 -0.006 0.000 2.431 166 L HA 0.456 4.814 4.340 0.031 0.000 0.266 166 L C -1.552 175.328 176.870 0.016 0.000 0.978 166 L CA -0.594 54.270 54.840 0.041 0.000 0.822 166 L CB 1.919 43.947 42.059 -0.052 0.000 1.310 166 L HN -0.084 nan 8.230 nan 0.000 0.409 167 I N 4.917 125.556 120.570 0.115 0.000 2.404 167 I HA 0.503 4.692 4.170 0.031 0.000 0.293 167 I C -0.764 175.445 176.117 0.152 0.000 0.992 167 I CA -0.998 60.397 61.300 0.158 0.000 1.149 167 I CB 1.967 40.109 38.000 0.237 0.000 1.315 167 I HN 0.252 nan 8.210 nan 0.000 0.446 168 V N 5.481 125.479 119.914 0.140 0.000 2.398 168 V HA 0.698 4.837 4.120 0.031 0.000 0.286 168 V C 0.257 176.332 176.094 -0.031 0.000 1.026 168 V CA -0.431 61.885 62.300 0.026 0.000 0.868 168 V CB 1.402 33.199 31.823 -0.044 0.000 0.982 168 V HN 0.844 nan 8.190 nan 0.000 0.443 169 A N 4.043 126.723 122.820 -0.233 0.000 2.355 169 A HA 1.058 5.396 4.320 0.031 0.000 0.324 169 A C -0.050 177.444 177.584 -0.151 0.000 1.117 169 A CA -0.016 51.748 52.037 -0.456 0.000 0.785 169 A CB 1.608 19.966 19.000 -1.070 0.000 1.254 169 A HN 2.437 nan 8.150 nan 0.000 0.453 170 A N -0.711 122.099 122.820 -0.016 0.000 2.431 170 A HA 0.587 4.926 4.320 0.031 0.000 0.681 170 A C -0.476 177.233 177.584 0.208 0.000 0.152 170 A CA -0.046 52.069 52.037 0.130 0.000 0.067 170 A CB -1.287 nan 19.000 nan 0.000 3.943 170 A HN 2.893 nan 8.150 nan 0.000 0.545 171 A N -0.371 122.587 122.820 0.229 0.000 2.587 171 A HA 1.050 5.389 4.320 0.031 0.000 0.293 171 A C 0.592 178.255 177.584 0.132 0.000 1.087 171 A CA 0.268 52.424 52.037 0.197 0.000 0.692 171 A CB 0.787 19.889 19.000 0.169 0.000 1.291 171 A HN 2.618 nan 8.150 nan 0.000 0.407 172 A N -0.089 122.771 122.820 0.068 0.000 2.095 172 A HA 0.569 4.908 4.320 0.031 0.000 0.212 172 A C 1.069 178.460 177.584 -0.321 0.000 1.162 172 A CA 1.413 53.417 52.037 -0.055 0.000 0.753 172 A CB 0.026 19.118 19.000 0.153 0.000 0.840 172 A HN 2.264 nan 8.150 nan 0.000 0.468 173 A N -1.110 121.636 122.820 -0.123 0.000 3.415 173 A HA 0.509 4.848 4.320 0.031 0.000 0.244 173 A C -0.978 176.633 177.584 0.045 0.000 0.988 173 A CA -0.212 51.762 52.037 -0.105 0.000 0.991 173 A CB -0.113 18.840 19.000 -0.078 0.000 1.240 173 A HN 0.371 nan 8.150 nan 0.000 0.541 174 Y N 1.959 122.209 120.300 -0.084 0.000 2.326 174 Y HA 0.561 5.130 4.550 0.030 0.000 0.331 174 Y C -2.310 173.587 175.900 -0.006 0.000 0.962 174 Y CA -2.285 55.811 58.100 -0.007 0.000 1.167 174 Y CB 2.380 40.877 38.460 0.062 0.000 1.148 174 Y HN 0.277 nan 8.280 nan 0.000 0.463 175 P HA 0.113 nan 4.420 nan 0.000 0.249 175 P C -0.277 176.815 177.300 -0.346 0.000 1.229 175 P CA 0.580 63.502 63.100 -0.296 0.000 0.788 175 P CB 0.504 32.079 31.700 -0.209 0.000 1.072 176 R N -0.143 119.946 120.500 -0.684 0.000 2.892 176 R HA 0.485 4.844 4.340 0.031 0.000 0.265 176 R C 0.373 176.617 176.300 -0.094 0.000 1.025 176 R CA -1.475 54.385 56.100 -0.401 0.000 0.982 176 R CB 0.806 30.862 30.300 -0.407 0.000 1.185 176 R HN 0.002 nan 8.270 nan 0.000 0.484 177 I N 2.225 122.803 120.570 0.014 0.000 2.683 177 I HA -0.008 4.180 4.170 0.031 0.000 0.286 177 I C 0.566 176.780 176.117 0.161 0.000 1.175 177 I CA 0.506 61.819 61.300 0.022 0.000 1.429 177 I CB 0.277 38.136 38.000 -0.235 0.000 1.371 177 I HN 0.239 nan 8.210 nan 0.000 0.569 178 I N 5.691 126.368 120.570 0.179 0.000 2.396 178 I HA 0.095 4.284 4.170 0.031 0.000 0.292 178 I C 0.250 176.134 176.117 -0.387 0.000 0.999 178 I CA -0.282 61.043 61.300 0.041 0.000 1.310 178 I CB 0.890 38.859 38.000 -0.051 0.000 1.404 178 I HN 0.491 nan 8.210 nan 0.000 0.496 179 D N 6.380 126.739 120.400 -0.068 0.000 2.468 179 D HA 0.144 4.802 4.640 0.031 0.000 0.218 179 D C 0.729 176.980 176.300 -0.083 0.000 1.155 179 D CA -0.061 53.796 54.000 -0.239 0.000 0.924 179 D CB 0.312 40.852 40.800 -0.435 0.000 1.029 179 D HN 0.349 nan 8.370 nan 0.000 0.515 180 F N 1.776 121.739 119.950 0.021 0.000 2.293 180 F HA -0.093 4.452 4.527 0.031 0.000 0.300 180 F C 2.505 178.133 175.800 -0.287 0.000 1.086 180 F CA 0.530 58.517 58.000 -0.023 0.000 1.375 180 F CB -0.047 38.939 39.000 -0.024 0.000 1.045 180 F HN 0.429 nan 8.300 nan 0.000 0.516 181 A N 0.609 123.100 122.820 -0.549 0.000 1.902 181 A HA -0.207 4.131 4.320 0.031 0.000 0.217 181 A C 2.204 179.699 177.584 -0.148 0.000 1.181 181 A CA 1.631 53.363 52.037 -0.509 0.000 0.623 181 A CB -0.561 18.163 19.000 -0.461 0.000 0.818 181 A HN 0.295 nan 8.150 nan 0.000 0.443 182 K N -1.536 118.757 120.400 -0.178 0.000 2.057 182 K HA -0.091 4.248 4.320 0.031 0.000 0.207 182 K C 1.691 178.247 176.600 -0.073 0.000 1.049 182 K CA 1.488 57.661 56.287 -0.190 0.000 0.931 182 K CB -0.351 31.867 32.500 -0.470 0.000 0.714 182 K HN 0.465 nan 8.250 nan 0.000 0.440 183 F N 1.176 121.154 119.950 0.046 0.000 2.095 183 F HA -0.218 4.329 4.527 0.032 0.000 0.298 183 F C 2.633 178.482 175.800 0.081 0.000 1.104 183 F CA 1.381 59.436 58.000 0.091 0.000 1.232 183 F CB -0.206 38.891 39.000 0.161 0.000 0.987 183 F HN -0.054 nan 8.300 nan 0.000 0.475 184 R N 0.870 121.530 120.500 0.266 0.000 2.075 184 R HA -0.158 4.200 4.340 0.031 0.000 0.232 184 R C 2.048 178.424 176.300 0.127 0.000 1.126 184 R CA 1.765 57.984 56.100 0.198 0.000 0.963 184 R CB -0.784 29.648 30.300 0.221 0.000 0.858 184 R HN 0.407 nan 8.270 nan 0.000 0.435 185 E N -0.186 120.060 120.200 0.078 0.000 2.058 185 E HA -0.201 4.167 4.350 0.031 0.000 0.194 185 E C 1.886 178.503 176.600 0.028 0.000 0.997 185 E CA 1.828 58.250 56.400 0.037 0.000 0.801 185 E CB -0.156 29.540 29.700 -0.006 0.000 0.746 185 E HN 0.424 nan 8.360 nan 0.000 0.450 186 I N 0.750 121.329 120.570 0.015 0.000 2.202 186 I HA -0.252 3.937 4.170 0.031 0.000 0.242 186 I C 2.599 178.743 176.117 0.045 0.000 1.091 186 I CA 0.959 62.261 61.300 0.004 0.000 1.368 186 I CB -0.353 37.615 38.000 -0.053 0.000 1.058 186 I HN 0.167 nan 8.210 nan 0.000 0.410 187 A N 0.631 123.510 122.820 0.097 0.000 1.908 187 A HA -0.275 4.064 4.320 0.031 0.000 0.218 187 A C 1.952 179.585 177.584 0.081 0.000 1.181 187 A CA 2.308 54.416 52.037 0.118 0.000 0.627 187 A CB -0.683 18.434 19.000 0.195 0.000 0.818 187 A HN 0.354 nan 8.150 nan 0.000 0.445 188 D N -0.832 119.616 120.400 0.080 0.000 2.117 188 D HA -0.148 4.510 4.640 0.031 0.000 0.197 188 D C 1.889 178.205 176.300 0.026 0.000 0.987 188 D CA 1.437 55.469 54.000 0.055 0.000 0.829 188 D CB -0.365 40.468 40.800 0.056 0.000 0.961 188 D HN 0.740 nan 8.370 nan 0.000 0.460 189 E N 0.314 120.528 120.200 0.022 0.000 2.110 189 E HA -0.147 4.222 4.350 0.031 0.000 0.193 189 E C 1.727 178.329 176.600 0.004 0.000 0.988 189 E CA 1.234 57.639 56.400 0.009 0.000 0.804 189 E CB 0.276 29.978 29.700 0.003 0.000 0.745 189 E HN 0.237 nan 8.360 nan 0.000 0.458 190 V N -3.303 116.616 119.914 0.008 0.000 3.621 190 V HA 0.422 4.560 4.120 0.031 0.000 0.285 190 V C 1.018 177.106 176.094 -0.010 0.000 1.346 190 V CA 0.362 62.664 62.300 0.003 0.000 1.104 190 V CB 0.016 31.847 31.823 0.012 0.000 0.913 190 V HN 0.272 nan 8.190 nan 0.000 0.432 191 G N 0.450 109.239 108.800 -0.018 0.000 2.295 191 G HA2 -0.001 3.978 3.960 0.031 0.000 0.287 191 G HA3 -0.001 3.978 3.960 0.031 0.000 0.287 191 G C 0.191 175.030 174.900 -0.102 0.000 1.055 191 G CA 0.423 45.488 45.100 -0.059 0.000 0.922 191 G HN 1.668 nan 8.290 nan 0.000 0.503 192 A N -0.588 122.197 122.820 -0.058 0.000 2.325 192 A HA 0.829 5.167 4.320 0.031 0.000 0.333 192 A C 0.035 177.578 177.584 -0.068 0.000 1.155 192 A CA -0.830 51.179 52.037 -0.046 0.000 0.814 192 A CB 0.884 19.910 19.000 0.043 0.000 1.206 192 A HN 0.546 nan 8.150 nan 0.000 0.482 193 Y N 0.120 120.396 120.300 -0.040 0.000 2.457 193 Y HA 0.331 4.899 4.550 0.031 0.000 0.341 193 Y C 0.328 176.341 175.900 0.189 0.000 1.240 193 Y CA 0.438 58.489 58.100 -0.081 0.000 1.437 193 Y CB 0.611 39.027 38.460 -0.074 0.000 1.328 193 Y HN 0.549 nan 8.280 nan 0.000 0.588 194 L N 4.939 126.529 121.223 0.612 0.000 2.305 194 L HA 0.500 4.859 4.340 0.031 0.000 0.284 194 L C -0.796 176.266 176.870 0.319 0.000 1.013 194 L CA -0.813 54.252 54.840 0.376 0.000 0.819 194 L CB 1.104 43.332 42.059 0.283 0.000 1.227 194 L HN 0.727 nan 8.230 nan 0.000 0.417 195 M N 5.782 125.516 119.600 0.223 0.000 2.227 195 M HA 0.594 5.092 4.480 0.031 0.000 0.335 195 M C -1.684 174.622 176.300 0.011 0.000 1.053 195 M CA -0.620 54.775 55.300 0.159 0.000 0.973 195 M CB 1.524 34.207 32.600 0.138 0.000 1.623 195 M HN 0.409 nan 8.290 nan 0.000 0.434 196 V N 4.322 124.199 119.914 -0.061 0.000 2.370 196 V HA 0.272 4.411 4.120 0.031 0.000 0.283 196 V C -0.591 175.429 176.094 -0.125 0.000 1.023 196 V CA -0.579 61.627 62.300 -0.157 0.000 0.857 196 V CB 1.497 33.087 31.823 -0.388 0.000 0.985 196 V HN 0.762 nan 8.190 nan 0.000 0.443 197 D N 5.757 126.112 120.400 -0.074 0.000 2.456 197 D HA 0.256 4.915 4.640 0.031 0.000 0.219 197 D C 0.726 177.023 176.300 -0.005 0.000 1.126 197 D CA -0.453 53.535 54.000 -0.021 0.000 0.890 197 D CB 1.158 42.026 40.800 0.113 0.000 1.025 197 D HN 0.612 nan 8.370 nan 0.000 0.511 198 M N 1.680 121.233 119.600 -0.079 0.000 2.493 198 M HA 0.382 4.880 4.480 0.031 0.000 0.244 198 M C 1.348 177.610 176.300 -0.063 0.000 1.182 198 M CA -0.389 54.871 55.300 -0.066 0.000 0.981 198 M CB 0.752 33.263 32.600 -0.149 0.000 1.551 198 M HN 0.124 nan 8.290 nan 0.000 0.476 199 A N 1.193 123.971 122.820 -0.070 0.000 1.896 199 A HA -0.241 4.098 4.320 0.031 0.000 0.220 199 A C 2.108 179.611 177.584 -0.134 0.000 1.206 199 A CA 2.125 54.079 52.037 -0.139 0.000 0.647 199 A CB -1.377 17.510 19.000 -0.188 0.000 0.828 199 A HN 0.754 nan 8.150 nan 0.000 0.455 200 H N -0.474 118.558 119.070 -0.065 0.000 2.423 200 H HA -0.041 4.535 4.556 0.033 0.000 0.297 200 H C 1.868 177.078 175.328 -0.196 0.000 1.075 200 H CA 1.798 57.823 56.048 -0.040 0.000 1.342 200 H CB -0.005 29.855 29.762 0.162 0.000 1.395 200 H HN 0.730 nan 8.280 nan 0.000 0.530 201 I N -2.874 117.691 120.570 -0.008 0.000 4.018 201 I HA 0.343 4.532 4.170 0.031 0.000 0.337 201 I C 2.229 178.336 176.117 -0.017 0.000 1.327 201 I CA 0.220 61.476 61.300 -0.073 0.000 1.100 201 I CB 0.181 38.110 38.000 -0.119 0.000 1.025 201 I HN -0.099 nan 8.210 nan 0.000 0.396 202 A N 2.240 125.058 122.820 -0.004 0.000 1.948 202 A HA -0.088 4.251 4.320 0.031 0.000 0.220 202 A C 2.344 180.097 177.584 0.282 0.000 1.177 202 A CA 2.096 54.193 52.037 0.100 0.000 0.636 202 A CB -1.418 17.589 19.000 0.013 0.000 0.815 202 A HN 0.546 nan 8.150 nan 0.000 0.449 203 G N -0.283 108.654 108.800 0.229 0.000 2.408 203 G HA2 -0.118 3.860 3.960 0.031 0.000 0.217 203 G HA3 -0.118 3.860 3.960 0.031 0.000 0.217 203 G C 1.529 176.628 174.900 0.332 0.000 1.150 203 G CA 0.991 46.331 45.100 0.400 0.000 0.776 203 G HN 0.458 nan 8.290 nan 0.000 0.542 204 L N 0.263 121.590 121.223 0.172 0.000 2.056 204 L HA -0.059 4.299 4.340 0.031 0.000 0.207 204 L C 2.958 179.961 176.870 0.223 0.000 1.078 204 L CA 0.369 55.300 54.840 0.152 0.000 0.749 204 L CB -0.749 41.389 42.059 0.132 0.000 0.901 204 L HN 0.058 nan 8.230 nan 0.000 0.433 205 V N 0.643 120.714 119.914 0.262 0.000 2.255 205 V HA -0.338 3.801 4.120 0.031 0.000 0.247 205 V C 2.875 179.124 176.094 0.258 0.000 1.051 205 V CA 2.005 64.496 62.300 0.318 0.000 1.018 205 V CB -0.990 31.051 31.823 0.362 0.000 0.641 205 V HN 0.499 nan 8.190 nan 0.000 0.445 206 A N -0.170 122.787 122.820 0.228 0.000 1.948 206 A HA -0.134 4.204 4.320 0.031 0.000 0.220 206 A C 2.212 179.831 177.584 0.058 0.000 1.177 206 A CA 2.163 54.151 52.037 -0.082 0.000 0.636 206 A CB -0.632 18.251 19.000 -0.194 0.000 0.815 206 A HN 0.655 nan 8.150 nan 0.000 0.449 207 A N -1.983 120.952 122.820 0.192 0.000 2.251 207 A HA 0.426 4.765 4.320 0.031 0.000 0.209 207 A C 1.712 179.361 177.584 0.108 0.000 1.187 207 A CA 1.121 53.259 52.037 0.168 0.000 0.823 207 A CB -0.900 18.187 19.000 0.144 0.000 0.846 207 A HN 1.940 nan 8.150 nan 0.000 0.486 208 G N -0.895 107.976 108.800 0.118 0.000 2.160 208 G HA2 -0.229 3.750 3.960 0.031 0.000 0.244 208 G HA3 -0.229 3.750 3.960 0.031 0.000 0.244 208 G C 0.474 175.440 174.900 0.109 0.000 1.022 208 G CA 0.504 45.670 45.100 0.110 0.000 0.741 208 G HN 0.548 nan 8.290 nan 0.000 0.508 209 L N -0.459 120.843 121.223 0.132 0.000 2.693 209 L HA 0.381 4.739 4.340 0.031 0.000 0.235 209 L C 0.839 177.813 176.870 0.173 0.000 1.127 209 L CA -0.243 54.665 54.840 0.114 0.000 0.914 209 L CB 0.302 42.407 42.059 0.077 0.000 1.193 209 L HN 0.410 nan 8.230 nan 0.000 0.502 210 H N 0.549 119.694 119.070 0.124 0.000 2.894 210 H HA 0.365 4.940 4.556 0.032 0.000 0.367 210 H C -2.734 172.715 175.328 0.201 0.000 1.144 210 H CA -1.818 54.322 56.048 0.154 0.000 1.180 210 H CB 2.807 32.682 29.762 0.187 0.000 1.758 210 H HN -0.250 nan 8.280 nan 0.000 0.541 211 P HA -0.064 nan 4.420 nan 0.000 0.265 211 P C -0.191 177.476 177.300 0.611 0.000 1.187 211 P CA 0.195 63.483 63.100 0.314 0.000 0.766 211 P CB 0.470 32.268 31.700 0.162 0.000 0.820 212 N N 4.282 123.251 118.700 0.449 0.000 2.430 212 N HA 0.089 4.848 4.740 0.031 0.000 0.265 212 N C -1.495 174.206 175.510 0.318 0.000 1.100 212 N CA -2.205 51.057 53.050 0.353 0.000 0.961 212 N CB 0.449 39.079 38.487 0.238 0.000 1.075 212 N HN 0.219 nan 8.380 nan 0.000 0.478 213 P HA -0.066 nan 4.420 nan 0.000 0.229 213 P C 1.372 178.593 177.300 -0.131 0.000 1.160 213 P CA 0.374 63.215 63.100 -0.433 0.000 0.777 213 P CB 0.506 31.500 31.700 -1.176 0.000 0.814 214 V N 1.979 121.839 119.914 -0.089 0.000 2.278 214 V HA -0.179 3.960 4.120 0.031 0.000 0.251 214 V C -0.243 175.781 176.094 -0.118 0.000 1.062 214 V CA 2.708 64.957 62.300 -0.086 0.000 1.038 214 V CB -2.532 29.274 31.823 -0.029 0.000 0.646 214 V HN 0.214 nan 8.190 nan 0.000 0.447 215 P HA -0.094 nan 4.420 nan 0.000 0.226 215 P C 0.858 177.885 177.300 -0.455 0.000 1.153 215 P CA 1.408 64.286 63.100 -0.369 0.000 0.777 215 P CB -0.066 31.297 31.700 -0.562 0.000 0.794 216 Y N -1.217 119.054 120.300 -0.047 0.000 2.498 216 Y HA 0.440 5.008 4.550 0.030 0.000 0.259 216 Y C 1.344 177.168 175.900 -0.127 0.000 1.086 216 Y CA -0.362 57.714 58.100 -0.040 0.000 1.287 216 Y CB -0.376 38.132 38.460 0.079 0.000 1.146 216 Y HN -0.205 nan 8.280 nan 0.000 0.523 217 A N -0.458 122.340 122.820 -0.037 0.000 2.306 217 A HA 0.378 4.717 4.320 0.031 0.000 0.314 217 A C -0.067 177.384 177.584 -0.221 0.000 1.164 217 A CA -0.414 51.560 52.037 -0.105 0.000 0.822 217 A CB 0.292 19.230 19.000 -0.103 0.000 1.130 217 A HN 0.463 nan 8.150 nan 0.000 0.496 218 H N 0.898 119.876 119.070 -0.153 0.000 2.389 218 H HA 0.110 4.685 4.556 0.030 0.000 0.299 218 H C -0.665 174.133 175.328 -0.884 0.000 1.081 218 H CA 2.058 57.806 56.048 -0.500 0.000 1.345 218 H CB -0.028 29.276 29.762 -0.763 0.000 1.393 218 H HN 0.582 nan 8.280 nan 0.000 0.520 219 F N -0.490 119.468 119.950 0.015 0.000 2.556 219 F HA 0.478 5.023 4.527 0.030 0.000 0.314 219 F C -0.881 174.863 175.800 -0.094 0.000 1.106 219 F CA -1.220 56.742 58.000 -0.063 0.000 0.911 219 F CB 1.910 40.830 39.000 -0.133 0.000 1.190 219 F HN -0.342 nan 8.300 nan 0.000 0.448 220 V N 1.709 121.650 119.914 0.046 0.000 2.487 220 V HA 0.606 4.744 4.120 0.031 0.000 0.298 220 V C -0.243 175.795 176.094 -0.093 0.000 1.028 220 V CA -0.709 61.540 62.300 -0.086 0.000 0.860 220 V CB 1.957 33.664 31.823 -0.193 0.000 0.991 220 V HN 0.890 nan 8.190 nan 0.000 0.427 221 T N 0.743 115.232 114.554 -0.109 0.000 2.945 221 T HA 0.829 5.197 4.350 0.031 0.000 0.286 221 T C -0.332 174.277 174.700 -0.151 0.000 1.025 221 T CA -0.684 61.345 62.100 -0.117 0.000 1.039 221 T CB 2.107 70.913 68.868 -0.104 0.000 1.068 221 T HN 0.719 nan 8.240 nan 0.000 0.497 222 T N 0.667 115.133 114.554 -0.148 0.000 2.830 222 T HA 0.573 4.941 4.350 0.031 0.000 0.322 222 T C -0.575 174.043 174.700 -0.137 0.000 1.501 222 T CA -0.465 61.535 62.100 -0.165 0.000 1.036 222 T CB 1.390 70.120 68.868 -0.230 0.000 1.379 222 T HN 1.164 nan 8.240 nan 0.000 0.493 223 T N 0.442 114.877 114.554 -0.198 0.000 2.904 223 T HA 0.377 4.745 4.350 0.031 0.000 0.290 223 T C 1.600 176.219 174.700 -0.134 0.000 1.018 223 T CA 0.215 62.162 62.100 -0.254 0.000 1.075 223 T CB 0.936 69.367 68.868 -0.728 0.000 0.986 223 T HN 0.767 nan 8.240 nan 0.000 0.523 224 T N -2.027 112.539 114.554 0.021 0.000 3.054 224 T HA 0.023 4.392 4.350 0.031 0.000 0.259 224 T C 1.087 175.860 174.700 0.122 0.000 1.092 224 T CA 0.221 62.407 62.100 0.143 0.000 1.121 224 T CB -0.548 68.427 68.868 0.179 0.000 0.912 224 T HN 0.903 nan 8.240 nan 0.000 0.489 225 H N 1.340 120.414 119.070 0.007 0.000 2.408 225 H HA 0.587 5.164 4.556 0.034 0.000 0.345 225 H C 0.464 175.770 175.328 -0.037 0.000 1.547 225 H CA -0.440 55.599 56.048 -0.016 0.000 1.447 225 H CB 0.610 30.347 29.762 -0.041 0.000 1.686 225 H HN 0.201 nan 8.280 nan 0.000 0.625 226 K N -1.994 118.389 120.400 -0.027 0.000 6.434 226 K HA -0.212 4.126 4.320 0.031 0.000 0.338 226 K C 1.461 178.041 176.600 -0.032 0.000 1.684 226 K CA 1.018 57.228 56.287 -0.128 0.000 0.888 226 K CB -1.860 30.433 32.500 -0.346 0.000 0.989 226 K HN 0.787 nan 8.250 nan 0.000 0.457 227 T N 0.125 114.633 114.554 -0.077 0.000 2.915 227 T HA -0.084 4.284 4.350 0.031 0.000 0.269 227 T C 1.710 176.572 174.700 0.269 0.000 1.071 227 T CA 1.577 63.697 62.100 0.034 0.000 1.132 227 T CB -0.058 68.725 68.868 -0.142 0.000 0.878 227 T HN 0.329 nan 8.240 nan 0.000 0.479 228 L N 1.144 122.495 121.223 0.214 0.000 2.362 228 L HA 0.312 4.670 4.340 0.031 0.000 0.219 228 L C 1.637 178.661 176.870 0.257 0.000 1.134 228 L CA 1.068 56.079 54.840 0.285 0.000 0.807 228 L CB -1.133 41.051 42.059 0.208 0.000 0.927 228 L HN 0.446 nan 8.230 nan 0.000 0.447 229 R N -1.148 119.482 120.500 0.217 0.000 3.651 229 R HA -0.152 4.206 4.340 0.031 0.000 0.292 229 R C 0.511 176.869 176.300 0.097 0.000 1.161 229 R CA 0.401 56.601 56.100 0.167 0.000 0.787 229 R CB -1.775 28.663 30.300 0.230 0.000 1.249 229 R HN 0.570 nan 8.270 nan 0.000 0.476 230 G N 0.161 109.018 108.800 0.094 0.000 2.642 230 G HA2 0.658 4.637 3.960 0.031 0.000 0.291 230 G HA3 0.658 4.637 3.960 0.031 0.000 0.291 230 G C -2.514 172.410 174.900 0.040 0.000 1.345 230 G CA -0.987 44.136 45.100 0.037 0.000 1.043 230 G HN 0.118 nan 8.290 nan 0.000 0.528 231 P HA 0.159 nan 4.420 nan 0.000 0.272 231 P C -0.486 176.814 177.300 -0.001 0.000 1.240 231 P CA -0.484 62.597 63.100 -0.032 0.000 0.791 231 P CB 0.980 32.632 31.700 -0.081 0.000 0.978 232 R N 0.380 120.815 120.500 -0.109 0.000 2.421 232 R HA 0.476 4.835 4.340 0.031 0.000 0.305 232 R C 0.455 176.716 176.300 -0.066 0.000 1.039 232 R CA 0.838 56.771 56.100 -0.279 0.000 1.003 232 R CB -0.593 29.458 30.300 -0.415 0.000 0.959 232 R HN 0.857 nan 8.270 nan 0.000 0.427 233 G N 1.308 110.197 108.800 0.148 0.000 2.317 233 G HA2 0.396 4.374 3.960 0.031 0.000 0.293 233 G HA3 0.396 4.374 3.960 0.031 0.000 0.293 233 G C -1.292 173.703 174.900 0.158 0.000 1.287 233 G CA -0.416 44.755 45.100 0.119 0.000 0.850 233 G HN 0.788 nan 8.290 nan 0.000 0.515 234 G N -1.373 107.476 108.800 0.083 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 -0.840 174.084 174.900 0.039 0.000 1.308 234 G CA -0.331 44.794 45.100 0.042 0.000 0.964 234 G HN 1.234 nan 8.290 nan 0.000 0.484 235 M N -0.186 119.418 119.600 0.006 0.000 2.471 235 M HA 0.623 5.122 4.480 0.031 0.000 0.284 235 M C -2.132 174.141 176.300 -0.046 0.000 1.203 235 M CA -0.642 54.661 55.300 0.006 0.000 0.915 235 M CB 2.204 34.829 32.600 0.042 0.000 1.734 235 M HN 0.403 nan 8.290 nan 0.000 0.485 236 I N 4.358 124.910 120.570 -0.030 0.000 2.465 236 I HA 0.512 4.700 4.170 0.031 0.000 0.291 236 I C -1.298 174.804 176.117 -0.024 0.000 1.014 236 I CA -0.696 60.590 61.300 -0.023 0.000 1.093 236 I CB 2.035 40.051 38.000 0.027 0.000 1.267 236 I HN 0.595 nan 8.210 nan 0.000 0.431 237 L N 6.034 127.234 121.223 -0.038 0.000 2.342 237 L HA 0.838 5.197 4.340 0.031 0.000 0.271 237 L C -0.582 176.330 176.870 0.069 0.000 1.008 237 L CA -0.617 54.209 54.840 -0.024 0.000 0.818 237 L CB 1.946 43.931 42.059 -0.123 0.000 1.296 237 L HN 0.825 nan 8.230 nan 0.000 0.427 238 C N -0.402 118.973 119.300 0.124 0.000 3.275 238 C HA 0.381 4.859 4.460 0.031 0.000 0.340 238 C C -0.730 174.356 174.990 0.160 0.000 1.366 238 C CA -1.018 58.095 59.018 0.158 0.000 1.227 238 C CB 1.682 29.597 27.740 0.292 0.000 1.512 238 C HN 0.877 nan 8.230 nan 0.000 0.461 239 Q N 0.748 120.637 119.800 0.148 0.000 2.417 239 Q HA 0.131 4.490 4.340 0.031 0.000 0.241 239 Q C 1.234 177.247 176.000 0.022 0.000 1.008 239 Q CA 0.150 55.989 55.803 0.060 0.000 0.901 239 Q CB 0.892 29.627 28.738 -0.005 0.000 1.259 239 Q HN 0.903 nan 8.270 nan 0.000 0.489 240 E N 1.221 121.403 120.200 -0.030 0.000 2.147 240 E HA -0.304 4.065 4.350 0.031 0.000 0.199 240 E C 1.586 178.090 176.600 -0.161 0.000 1.005 240 E CA 1.662 58.016 56.400 -0.077 0.000 0.810 240 E CB 0.230 29.891 29.700 -0.066 0.000 0.736 240 E HN 0.586 nan 8.360 nan 0.000 0.460 241 Q N -0.761 118.879 119.800 -0.267 0.000 2.291 241 Q HA -0.167 4.191 4.340 0.031 0.000 0.206 241 Q C 1.385 177.107 176.000 -0.463 0.000 0.976 241 Q CA 1.254 56.801 55.803 -0.427 0.000 0.875 241 Q CB -0.391 27.979 28.738 -0.613 0.000 0.927 241 Q HN 0.380 nan 8.270 nan 0.000 0.450 242 F N 0.362 120.305 119.950 -0.012 0.000 2.695 242 F HA 0.446 4.991 4.527 0.030 0.000 0.303 242 F C 2.219 178.010 175.800 -0.014 0.000 1.091 242 F CA -0.223 57.806 58.000 0.049 0.000 1.300 242 F CB -0.244 38.849 39.000 0.154 0.000 1.071 242 F HN 0.066 nan 8.300 nan 0.000 0.578 243 A N 0.851 123.637 122.820 -0.057 0.000 1.873 243 A HA -0.279 4.059 4.320 0.031 0.000 0.218 243 A C 2.378 179.772 177.584 -0.317 0.000 1.193 243 A CA 2.196 53.957 52.037 -0.460 0.000 0.629 243 A CB -0.672 17.812 19.000 -0.861 0.000 0.826 243 A HN 0.332 nan 8.150 nan 0.000 0.447 244 K N -0.821 119.469 120.400 -0.183 0.000 2.026 244 K HA -0.189 4.150 4.320 0.031 0.000 0.208 244 K C 2.318 178.907 176.600 -0.020 0.000 1.048 244 K CA 1.592 57.816 56.287 -0.106 0.000 0.929 244 K CB -0.223 32.239 32.500 -0.063 0.000 0.713 244 K HN 0.618 nan 8.250 nan 0.000 0.439 245 Q N 0.208 120.032 119.800 0.042 0.000 2.084 245 Q HA -0.150 4.209 4.340 0.031 0.000 0.202 245 Q C 2.170 178.223 176.000 0.089 0.000 0.978 245 Q CA 1.080 56.932 55.803 0.081 0.000 0.844 245 Q CB -0.014 28.801 28.738 0.128 0.000 0.898 245 Q HN 0.378 nan 8.270 nan 0.000 0.426 246 I N 1.503 122.141 120.570 0.113 0.000 2.179 246 I HA -0.250 3.939 4.170 0.031 0.000 0.242 246 I C 1.695 177.881 176.117 0.116 0.000 1.088 246 I CA 1.425 62.796 61.300 0.118 0.000 1.357 246 I CB -1.024 37.096 38.000 0.201 0.000 1.051 246 I HN 0.174 nan 8.210 nan 0.000 0.409 247 D N 0.959 121.392 120.400 0.055 0.000 2.123 247 D HA -0.176 4.483 4.640 0.031 0.000 0.196 247 D C 2.211 178.627 176.300 0.193 0.000 0.992 247 D CA 1.198 55.189 54.000 -0.015 0.000 0.833 247 D CB -0.134 40.393 40.800 -0.456 0.000 0.954 247 D HN 0.326 nan 8.370 nan 0.000 0.455 248 K N 0.399 120.883 120.400 0.140 0.000 2.148 248 K HA 0.008 4.346 4.320 0.031 0.000 0.204 248 K C 2.080 178.786 176.600 0.178 0.000 1.050 248 K CA 0.892 57.280 56.287 0.168 0.000 0.942 248 K CB 0.002 32.571 32.500 0.114 0.000 0.724 248 K HN 0.022 nan 8.250 nan 0.000 0.446 249 A N 1.562 124.499 122.820 0.195 0.000 1.902 249 A HA -0.154 4.185 4.320 0.031 0.000 0.217 249 A C 2.045 179.700 177.584 0.119 0.000 1.181 249 A CA 1.171 53.365 52.037 0.262 0.000 0.623 249 A CB -0.351 18.794 19.000 0.243 0.000 0.818 249 A HN 0.091 nan 8.150 nan 0.000 0.443 250 I N -2.718 117.939 120.570 0.145 0.000 2.233 250 I HA 0.041 4.230 4.170 0.031 0.000 0.243 250 I C 0.521 176.740 176.117 0.169 0.000 1.093 250 I CA 1.282 62.654 61.300 0.119 0.000 1.380 250 I CB -0.516 37.593 38.000 0.181 0.000 1.067 250 I HN 0.341 nan 8.210 nan 0.000 0.413 251 F N 2.320 122.339 119.950 0.115 0.000 2.588 251 F HA 0.406 4.954 4.527 0.034 0.000 0.318 251 F C -2.225 173.659 175.800 0.141 0.000 1.155 251 F CA -1.843 56.188 58.000 0.052 0.000 0.967 251 F CB 1.963 40.930 39.000 -0.055 0.000 1.236 251 F HN -0.241 nan 8.300 nan 0.000 0.455 252 P HA 0.170 nan 4.420 nan 0.000 0.255 252 P C 0.968 178.006 177.300 -0.436 0.000 1.301 252 P CA 0.550 62.963 63.100 -1.145 0.000 0.817 252 P CB 0.299 31.401 31.700 -0.996 0.000 1.259 253 G N 2.245 110.924 108.800 -0.201 0.000 2.524 253 G HA2 -0.199 3.780 3.960 0.031 0.000 0.215 253 G HA3 -0.199 3.780 3.960 0.031 0.000 0.215 253 G C 1.303 175.923 174.900 -0.468 0.000 1.239 253 G CA 1.143 46.118 45.100 -0.208 0.000 0.798 253 G HN 0.432 nan 8.290 nan 0.000 0.557 254 I N -3.444 116.904 120.570 -0.369 0.000 4.312 254 I HA 0.421 4.609 4.170 0.031 0.000 0.324 254 I C 0.772 176.786 176.117 -0.172 0.000 1.298 254 I CA -0.156 60.927 61.300 -0.363 0.000 1.231 254 I CB 0.459 38.220 38.000 -0.398 0.000 1.152 254 I HN 0.060 nan 8.210 nan 0.000 0.421 255 Q N 1.074 120.830 119.800 -0.073 0.000 2.418 255 Q HA 0.635 4.994 4.340 0.031 0.000 0.276 255 Q C 0.028 176.141 176.000 0.188 0.000 1.081 255 Q CA -0.414 55.402 55.803 0.022 0.000 0.864 255 Q CB 2.243 30.909 28.738 -0.119 0.000 1.384 255 Q HN 0.296 nan 8.270 nan 0.000 0.467 256 G N -0.424 108.501 108.800 0.209 0.000 3.434 256 G HA2 0.442 4.421 3.960 0.031 0.000 0.197 256 G HA3 0.442 4.421 3.960 0.031 0.000 0.197 256 G C -0.215 174.720 174.900 0.059 0.000 1.559 256 G CA -0.167 45.086 45.100 0.255 0.000 0.852 256 G HN 0.586 nan 8.290 nan 0.000 0.682 257 G N 1.762 110.625 108.800 0.105 0.000 2.340 257 G HA2 0.477 4.456 3.960 0.031 0.000 0.245 257 G HA3 0.477 4.456 3.960 0.031 0.000 0.245 257 G C -2.058 172.805 174.900 -0.062 0.000 1.294 257 G CA -0.319 44.758 45.100 -0.039 0.000 0.896 257 G HN 0.386 nan 8.290 nan 0.000 0.522 258 P HA 0.180 nan 4.420 nan 0.000 0.274 258 P C -0.157 177.118 177.300 -0.041 0.000 1.246 258 P CA -0.477 62.582 63.100 -0.068 0.000 0.795 258 P CB 1.230 32.830 31.700 -0.166 0.000 1.006 259 L N 2.362 123.579 121.223 -0.010 0.000 2.328 259 L HA 0.156 4.515 4.340 0.031 0.000 0.280 259 L C 1.778 178.532 176.870 -0.193 0.000 1.111 259 L CA -0.517 54.240 54.840 -0.137 0.000 0.909 259 L CB -0.025 41.869 42.059 -0.274 0.000 1.277 259 L HN 0.224 nan 8.230 nan 0.000 0.433 260 M N 1.387 120.971 119.600 -0.027 0.000 2.229 260 M HA -0.142 4.356 4.480 0.031 0.000 0.264 260 M C 2.384 178.686 176.300 0.002 0.000 1.063 260 M CA 1.509 56.804 55.300 -0.009 0.000 1.114 260 M CB -1.078 31.535 32.600 0.023 0.000 1.387 260 M HN 0.638 nan 8.290 nan 0.000 0.420 261 H N -0.743 118.292 119.070 -0.059 0.000 2.387 261 H HA 0.023 4.587 4.556 0.013 0.000 0.299 261 H C 2.083 177.376 175.328 -0.058 0.000 1.090 261 H CA 1.461 57.477 56.048 -0.054 0.000 1.332 261 H CB -1.398 28.331 29.762 -0.055 0.000 1.386 261 H HN 0.247 nan 8.280 nan 0.000 0.516 262 V N 1.655 121.251 119.914 -0.530 0.000 2.453 262 V HA -0.168 3.971 4.120 0.031 0.000 0.247 262 V C 2.984 178.954 176.094 -0.206 0.000 1.048 262 V CA 1.393 63.492 62.300 -0.336 0.000 1.049 262 V CB -0.552 31.052 31.823 -0.364 0.000 0.672 262 V HN 0.242 nan 8.190 nan 0.000 0.457 263 I N 0.708 121.172 120.570 -0.177 0.000 2.226 263 I HA -0.257 3.932 4.170 0.031 0.000 0.245 263 I C 2.710 178.749 176.117 -0.129 0.000 1.100 263 I CA 1.454 62.678 61.300 -0.127 0.000 1.374 263 I CB -0.604 37.350 38.000 -0.077 0.000 1.057 263 I HN 0.295 nan 8.210 nan 0.000 0.413 264 A N 0.893 123.658 122.820 -0.092 0.000 1.892 264 A HA -0.247 4.091 4.320 0.031 0.000 0.218 264 A C 2.550 180.062 177.584 -0.120 0.000 1.188 264 A CA 2.163 54.156 52.037 -0.075 0.000 0.631 264 A CB -0.923 18.061 19.000 -0.026 0.000 0.822 264 A HN 0.450 nan 8.150 nan 0.000 0.447 265 A N -0.453 122.289 122.820 -0.130 0.000 1.933 265 A HA -0.150 4.188 4.320 0.031 0.000 0.218 265 A C 2.090 179.520 177.584 -0.258 0.000 1.175 265 A CA 1.781 53.729 52.037 -0.148 0.000 0.628 265 A CB -0.415 18.517 19.000 -0.113 0.000 0.814 265 A HN 0.578 nan 8.150 nan 0.000 0.444 266 K N -0.205 119.986 120.400 -0.348 0.000 2.032 266 K HA -0.109 4.230 4.320 0.031 0.000 0.209 266 K C 2.355 178.334 176.600 -1.035 0.000 1.048 266 K CA 1.205 57.063 56.287 -0.715 0.000 0.927 266 K CB -0.396 31.749 32.500 -0.593 0.000 0.712 266 K HN 0.433 nan 8.250 nan 0.000 0.441 267 A N 1.218 123.719 122.820 -0.531 0.000 1.892 267 A HA -0.169 4.169 4.320 0.031 0.000 0.218 267 A C 2.429 179.884 177.584 -0.215 0.000 1.188 267 A CA 1.802 53.668 52.037 -0.285 0.000 0.631 267 A CB -0.864 18.073 19.000 -0.105 0.000 0.822 267 A HN 0.090 nan 8.150 nan 0.000 0.447 268 V N -0.195 119.602 119.914 -0.196 0.000 2.287 268 V HA -0.272 3.866 4.120 0.031 0.000 0.248 268 V C 3.066 179.083 176.094 -0.128 0.000 1.053 268 V CA 2.087 64.315 62.300 -0.121 0.000 1.027 268 V CB -1.367 30.400 31.823 -0.093 0.000 0.646 268 V HN 0.640 nan 8.190 nan 0.000 0.447 269 A N -0.463 122.232 122.820 -0.207 0.000 1.902 269 A HA -0.179 4.160 4.320 0.031 0.000 0.217 269 A C 2.141 179.700 177.584 -0.041 0.000 1.181 269 A CA 1.864 53.811 52.037 -0.150 0.000 0.623 269 A CB -0.757 18.140 19.000 -0.171 0.000 0.818 269 A HN 0.552 nan 8.150 nan 0.000 0.443 270 F N -0.016 119.868 119.950 -0.110 0.000 2.186 270 F HA -0.092 4.461 4.527 0.043 0.000 0.299 270 F C 2.734 178.443 175.800 -0.152 0.000 1.090 270 F CA 0.228 58.145 58.000 -0.138 0.000 1.307 270 F CB -0.592 38.364 39.000 -0.074 0.000 1.019 270 F HN 0.366 nan 8.300 nan 0.000 0.489 271 G N 0.381 109.220 108.800 0.063 0.000 2.446 271 G HA2 -0.258 3.721 3.960 0.031 0.000 0.217 271 G HA3 -0.258 3.721 3.960 0.031 0.000 0.217 271 G C 1.377 176.262 174.900 -0.025 0.000 1.168 271 G CA 0.988 46.094 45.100 0.009 0.000 0.771 271 G HN 0.345 nan 8.290 nan 0.000 0.551 272 E N 0.505 120.675 120.200 -0.049 0.000 2.077 272 E HA -0.061 4.308 4.350 0.031 0.000 0.193 272 E C 2.895 179.415 176.600 -0.132 0.000 0.989 272 E CA 0.824 57.192 56.400 -0.052 0.000 0.800 272 E CB -0.209 29.466 29.700 -0.042 0.000 0.746 272 E HN 0.424 nan 8.360 nan 0.000 0.452 273 A N 0.869 123.468 122.820 -0.369 0.000 2.015 273 A HA -0.099 4.239 4.320 0.031 0.000 0.219 273 A C 2.080 179.505 177.584 -0.264 0.000 1.163 273 A CA 0.795 52.370 52.037 -0.771 0.000 0.646 273 A CB -0.401 18.059 19.000 -0.900 0.000 0.806 273 A HN 0.138 nan 8.150 nan 0.000 0.448 274 L N -0.568 120.571 121.223 -0.139 0.000 2.376 274 L HA -0.071 4.288 4.340 0.031 0.000 0.219 274 L C 0.986 177.860 176.870 0.007 0.000 1.133 274 L CA 0.232 55.033 54.840 -0.064 0.000 0.816 274 L CB -0.257 41.772 42.059 -0.051 0.000 0.933 274 L HN 0.481 nan 8.230 nan 0.000 0.449 275 Q N -0.173 119.652 119.800 0.042 0.000 2.354 275 Q HA -0.020 4.339 4.340 0.031 0.000 0.244 275 Q C 0.476 176.551 176.000 0.123 0.000 0.969 275 Q CA -0.561 55.288 55.803 0.077 0.000 0.885 275 Q CB 0.969 29.757 28.738 0.083 0.000 1.241 275 Q HN 0.033 nan 8.270 nan 0.000 0.461 276 D N 1.518 121.974 120.400 0.094 0.000 2.123 276 D HA -0.193 4.465 4.640 0.031 0.000 0.196 276 D C 1.283 177.655 176.300 0.121 0.000 0.992 276 D CA 1.609 55.666 54.000 0.095 0.000 0.833 276 D CB -0.136 40.703 40.800 0.065 0.000 0.954 276 D HN 0.661 nan 8.370 nan 0.000 0.455 277 D N -0.061 120.415 120.400 0.126 0.000 2.218 277 D HA -0.191 4.468 4.640 0.031 0.000 0.204 277 D C 1.959 178.371 176.300 0.187 0.000 0.976 277 D CA 0.329 54.407 54.000 0.130 0.000 0.853 277 D CB -0.976 39.887 40.800 0.105 0.000 0.939 277 D HN 0.263 nan 8.370 nan 0.000 0.481 278 F N 1.189 121.199 119.950 0.100 0.000 2.146 278 F HA -0.028 4.517 4.527 0.030 0.000 0.298 278 F C 2.048 177.959 175.800 0.185 0.000 1.096 278 F CA 1.175 59.272 58.000 0.162 0.000 1.275 278 F CB 0.043 39.110 39.000 0.112 0.000 1.008 278 F HN -0.229 nan 8.300 nan 0.000 0.480 279 K N 0.534 121.055 120.400 0.203 0.000 2.063 279 K HA -0.113 4.225 4.320 0.031 0.000 0.208 279 K C 2.274 178.870 176.600 -0.006 0.000 1.048 279 K CA 1.418 57.756 56.287 0.085 0.000 0.928 279 K CB -0.881 31.681 32.500 0.103 0.000 0.713 279 K HN 0.322 nan 8.250 nan 0.000 0.442 280 A N 0.048 122.887 122.820 0.031 0.000 1.902 280 A HA -0.207 4.131 4.320 0.031 0.000 0.217 280 A C 2.141 179.717 177.584 -0.014 0.000 1.181 280 A CA 1.595 53.642 52.037 0.018 0.000 0.623 280 A CB -0.920 18.111 19.000 0.051 0.000 0.818 280 A HN 0.449 nan 8.150 nan 0.000 0.443 281 Y N 0.890 121.107 120.300 -0.139 0.000 2.081 281 Y HA -0.194 4.378 4.550 0.036 0.000 0.280 281 Y C 2.584 178.336 175.900 -0.246 0.000 1.163 281 Y CA 1.644 59.626 58.100 -0.198 0.000 1.135 281 Y CB -0.802 37.488 38.460 -0.283 0.000 0.970 281 Y HN 0.284 nan 8.280 nan 0.000 0.498 282 A N 0.409 122.822 122.820 -0.678 0.000 1.933 282 A HA -0.215 4.123 4.320 0.031 0.000 0.218 282 A C 2.354 179.730 177.584 -0.345 0.000 1.175 282 A CA 1.911 53.560 52.037 -0.647 0.000 0.628 282 A CB -0.823 17.926 19.000 -0.419 0.000 0.814 282 A HN 0.586 nan 8.150 nan 0.000 0.444 283 K N -0.429 119.846 120.400 -0.209 0.000 2.097 283 K HA -0.109 4.229 4.320 0.031 0.000 0.205 283 K C 2.243 178.774 176.600 -0.115 0.000 1.050 283 K CA 1.118 57.338 56.287 -0.112 0.000 0.938 283 K CB -0.163 32.305 32.500 -0.054 0.000 0.718 283 K HN 0.436 nan 8.250 nan 0.000 0.442 284 R N 0.234 120.649 120.500 -0.142 0.000 2.096 284 R HA -0.095 4.263 4.340 0.031 0.000 0.235 284 R C 2.268 178.488 176.300 -0.134 0.000 1.127 284 R CA 1.291 57.330 56.100 -0.100 0.000 0.968 284 R CB -0.365 29.905 30.300 -0.049 0.000 0.861 284 R HN 0.062 nan 8.270 nan 0.000 0.440 285 V N 0.617 120.361 119.914 -0.284 0.000 2.255 285 V HA -0.252 3.886 4.120 0.031 0.000 0.247 285 V C 2.389 178.430 176.094 -0.088 0.000 1.051 285 V CA 1.847 64.009 62.300 -0.231 0.000 1.018 285 V CB -0.417 31.171 31.823 -0.391 0.000 0.641 285 V HN 0.121 nan 8.190 nan 0.000 0.445 286 V N 0.092 119.957 119.914 -0.081 0.000 2.307 286 V HA -0.240 3.899 4.120 0.031 0.000 0.245 286 V C 2.295 178.381 176.094 -0.014 0.000 1.045 286 V CA 2.178 64.467 62.300 -0.019 0.000 1.024 286 V CB -0.762 31.058 31.823 -0.007 0.000 0.651 286 V HN 0.545 nan 8.190 nan 0.000 0.449 287 D N 0.338 120.723 120.400 -0.024 0.000 2.104 287 D HA -0.157 4.501 4.640 0.031 0.000 0.194 287 D C 2.070 178.371 176.300 0.001 0.000 0.994 287 D CA 1.296 55.290 54.000 -0.010 0.000 0.830 287 D CB -0.460 40.333 40.800 -0.010 0.000 0.959 287 D HN 0.350 nan 8.370 nan 0.000 0.452 288 N N 0.501 119.202 118.700 0.001 0.000 2.120 288 N HA -0.094 4.665 4.740 0.031 0.000 0.188 288 N C 1.708 177.230 175.510 0.020 0.000 1.024 288 N CA 1.293 54.356 53.050 0.023 0.000 0.852 288 N CB -0.422 38.087 38.487 0.038 0.000 1.003 288 N HN 0.145 nan 8.380 nan 0.000 0.424 289 A N 1.001 123.826 122.820 0.009 0.000 1.877 289 A HA -0.145 4.193 4.320 0.031 0.000 0.216 289 A C 2.221 179.804 177.584 -0.001 0.000 1.186 289 A CA 1.586 53.624 52.037 0.002 0.000 0.620 289 A CB -0.424 18.576 19.000 -0.001 0.000 0.822 289 A HN 0.179 nan 8.150 nan 0.000 0.443 290 K N -0.749 119.652 120.400 0.001 0.000 2.032 290 K HA -0.152 4.186 4.320 0.031 0.000 0.209 290 K C 2.297 178.902 176.600 0.009 0.000 1.048 290 K CA 1.729 58.017 56.287 0.002 0.000 0.927 290 K CB -0.174 32.327 32.500 0.002 0.000 0.712 290 K HN 0.355 nan 8.250 nan 0.000 0.441 291 R N 0.695 121.203 120.500 0.013 0.000 2.073 291 R HA -0.087 4.272 4.340 0.031 0.000 0.234 291 R C 1.988 178.303 176.300 0.025 0.000 1.134 291 R CA 1.265 57.376 56.100 0.019 0.000 0.952 291 R CB -0.827 29.486 30.300 0.023 0.000 0.850 291 R HN 0.178 nan 8.270 nan 0.000 0.433 292 L N 0.264 121.502 121.223 0.025 0.000 2.046 292 L HA 0.029 4.388 4.340 0.031 0.000 0.208 292 L C 2.104 178.987 176.870 0.021 0.000 1.077 292 L CA 2.205 57.061 54.840 0.026 0.000 0.747 292 L CB -1.106 40.966 42.059 0.022 0.000 0.896 292 L HN 0.281 nan 8.230 nan 0.000 0.432 293 A N -1.350 121.477 122.820 0.011 0.000 1.865 293 A HA -0.239 4.100 4.320 0.031 0.000 0.217 293 A C 2.397 180.001 177.584 0.033 0.000 1.191 293 A CA 2.295 54.339 52.037 0.012 0.000 0.623 293 A CB -1.143 17.857 19.000 -0.000 0.000 0.826 293 A HN 0.530 nan 8.150 nan 0.000 0.444 294 S N -0.218 115.499 115.700 0.028 0.000 2.370 294 S HA -0.062 4.427 4.470 0.031 0.000 0.226 294 S C 2.280 176.908 174.600 0.045 0.000 1.033 294 S CA 1.280 59.499 58.200 0.032 0.000 1.011 294 S CB -0.503 62.710 63.200 0.022 0.000 0.852 294 S HN 0.823 nan 8.310 nan 0.000 0.457 295 A N 1.128 123.976 122.820 0.048 0.000 1.930 295 A HA 0.050 4.389 4.320 0.031 0.000 0.217 295 A C 2.104 179.748 177.584 0.101 0.000 1.175 295 A CA 0.982 53.056 52.037 0.060 0.000 0.627 295 A CB -0.611 18.421 19.000 0.052 0.000 0.815 295 A HN 0.444 nan 8.150 nan 0.000 0.443 296 L N -0.951 120.341 121.223 0.116 0.000 2.056 296 L HA -0.238 4.121 4.340 0.031 0.000 0.207 296 L C 2.872 179.906 176.870 0.274 0.000 1.078 296 L CA 1.490 56.465 54.840 0.224 0.000 0.749 296 L CB -0.502 41.624 42.059 0.111 0.000 0.901 296 L HN 0.469 nan 8.230 nan 0.000 0.433 297 Q N -0.469 119.422 119.800 0.152 0.000 2.124 297 Q HA -0.232 4.127 4.340 0.031 0.000 0.202 297 Q C 2.020 178.057 176.000 0.062 0.000 0.977 297 Q CA 1.515 57.382 55.803 0.106 0.000 0.850 297 Q CB -0.304 28.474 28.738 0.067 0.000 0.901 297 Q HN 0.495 nan 8.270 nan 0.000 0.429 298 N N 0.519 119.254 118.700 0.059 0.000 2.205 298 N HA -0.187 4.571 4.740 0.031 0.000 0.186 298 N C 1.126 176.643 175.510 0.012 0.000 1.015 298 N CA 0.859 53.928 53.050 0.031 0.000 0.862 298 N CB 0.225 38.732 38.487 0.034 0.000 0.986 298 N HN 0.215 nan 8.380 nan 0.000 0.429 299 E N -0.346 119.878 120.200 0.040 0.000 2.482 299 E HA 0.006 4.375 4.350 0.031 0.000 0.196 299 E C 1.105 177.554 176.600 -0.252 0.000 1.047 299 E CA 0.663 57.041 56.400 -0.038 0.000 0.869 299 E CB -0.001 29.770 29.700 0.119 0.000 0.836 299 E HN 0.602 nan 8.360 nan 0.000 0.520 300 G N 0.815 109.504 108.800 -0.185 0.000 2.163 300 G HA2 -0.232 3.747 3.960 0.031 0.000 0.213 300 G HA3 -0.232 3.747 3.960 0.031 0.000 0.213 300 G C -0.026 174.713 174.900 -0.267 0.000 0.991 300 G CA -0.321 44.637 45.100 -0.236 0.000 0.653 300 G HN 0.130 nan 8.290 nan 0.000 0.518 301 F N 1.897 121.851 119.950 0.006 0.000 2.429 301 F HA 0.556 5.102 4.527 0.032 0.000 0.348 301 F C 1.205 177.010 175.800 0.008 0.000 1.109 301 F CA 0.126 58.130 58.000 0.007 0.000 1.232 301 F CB 1.174 40.177 39.000 0.005 0.000 1.157 301 F HN -0.085 nan 8.300 nan 0.000 0.564 302 T N 4.802 119.485 114.554 0.214 0.000 2.806 302 T HA 0.543 4.911 4.350 0.031 0.000 0.290 302 T C -0.166 174.604 174.700 0.117 0.000 0.966 302 T CA -0.505 61.673 62.100 0.131 0.000 1.060 302 T CB 0.358 69.287 68.868 0.100 0.000 0.927 302 T HN 0.277 nan 8.240 nan 0.000 0.485 303 L N 3.065 124.341 121.223 0.089 0.000 2.317 303 L HA 0.495 4.854 4.340 0.031 0.000 0.281 303 L C 0.128 177.040 176.870 0.071 0.000 1.024 303 L CA -1.328 53.544 54.840 0.054 0.000 0.810 303 L CB 1.598 43.679 42.059 0.037 0.000 1.240 303 L HN 0.323 nan 8.230 nan 0.000 0.427 304 V N 2.851 122.780 119.914 0.025 0.000 2.617 304 V HA -0.089 4.050 4.120 0.031 0.000 0.304 304 V C 1.190 177.374 176.094 0.151 0.000 1.040 304 V CA 1.300 63.620 62.300 0.034 0.000 1.149 304 V CB 0.853 32.597 31.823 -0.133 0.000 0.914 304 V HN 1.181 nan 8.190 nan 0.000 0.487 305 S N 2.466 118.415 115.700 0.415 0.000 2.981 305 S HA -0.227 4.262 4.470 0.031 0.000 0.274 305 S C 1.362 176.004 174.600 0.071 0.000 1.297 305 S CA 1.226 59.535 58.200 0.181 0.000 1.266 305 S CB -1.940 61.301 63.200 0.069 0.000 1.542 305 S HN 2.843 nan 8.310 nan 0.000 0.674 306 G N -0.445 108.404 108.800 0.081 0.000 2.148 306 G HA2 0.315 4.294 3.960 0.031 0.000 0.254 306 G HA3 0.315 4.294 3.960 0.031 0.000 0.254 306 G C 1.001 175.914 174.900 0.021 0.000 0.981 306 G CA 0.627 45.752 45.100 0.042 0.000 0.670 306 G HN 2.620 nan 8.290 nan 0.000 0.528 307 G N -2.668 106.137 108.800 0.008 0.000 2.441 307 G HA2 0.656 4.635 3.960 0.031 0.000 0.222 307 G HA3 0.656 4.635 3.960 0.031 0.000 0.222 307 G C -0.603 174.274 174.900 -0.038 0.000 1.254 307 G CA 0.900 45.994 45.100 -0.010 0.000 0.959 307 G HN 1.802 nan 8.290 nan 0.000 0.474 308 T N -1.004 113.524 114.554 -0.042 0.000 2.932 308 T HA 0.564 4.932 4.350 0.031 0.000 0.318 308 T C -1.125 173.549 174.700 -0.042 0.000 1.265 308 T CA 0.049 62.111 62.100 -0.063 0.000 1.036 308 T CB 1.886 70.715 68.868 -0.066 0.000 1.209 308 T HN 0.299 nan 8.240 nan 0.000 0.484 309 D N 1.848 122.222 120.400 -0.043 0.000 2.407 309 D HA 0.193 4.851 4.640 0.031 0.000 0.208 309 D C 0.675 177.003 176.300 0.048 0.000 1.083 309 D CA 0.288 54.284 54.000 -0.007 0.000 0.844 309 D CB 0.515 41.304 40.800 -0.018 0.000 0.967 309 D HN 0.665 nan 8.370 nan 0.000 0.506 310 N N -0.759 117.974 118.700 0.055 0.000 3.567 310 N HA -0.017 4.741 4.740 0.031 0.000 0.347 310 N C 0.974 176.562 175.510 0.130 0.000 1.553 310 N CA -0.341 52.803 53.050 0.156 0.000 0.636 310 N CB -0.239 38.420 38.487 0.288 0.000 2.483 310 N HN -0.153 nan 8.380 nan 0.000 0.608 311 H N -0.944 118.144 119.070 0.029 0.000 2.551 311 H HA 0.315 4.890 4.556 0.031 0.000 0.266 311 H C 0.048 175.384 175.328 0.014 0.000 0.964 311 H CA -0.069 55.987 56.048 0.013 0.000 1.180 311 H CB -0.405 29.375 29.762 0.030 0.000 1.408 311 H HN 0.513 nan 8.280 nan 0.000 0.563 312 L N -0.007 120.918 121.223 -0.497 0.000 2.354 312 L HA 0.668 5.027 4.340 0.031 0.000 0.264 312 L C -1.142 175.590 176.870 -0.231 0.000 1.008 312 L CA -1.577 53.008 54.840 -0.425 0.000 0.819 312 L CB 2.322 44.001 42.059 -0.633 0.000 1.339 312 L HN 0.031 nan 8.230 nan 0.000 0.420 313 L N 0.381 121.505 121.223 -0.165 0.000 2.376 313 L HA 0.852 5.211 4.340 0.031 0.000 0.258 313 L C -1.532 175.272 176.870 -0.110 0.000 1.013 313 L CA -0.828 53.941 54.840 -0.119 0.000 0.822 313 L CB 2.024 44.033 42.059 -0.084 0.000 1.388 313 L HN 0.648 nan 8.230 nan 0.000 0.413 314 L N 1.909 123.077 121.223 -0.092 0.000 2.376 314 L HA 0.660 5.018 4.340 0.031 0.000 0.275 314 L C -0.839 175.988 176.870 -0.072 0.000 0.987 314 L CA -0.946 53.842 54.840 -0.087 0.000 0.828 314 L CB 2.187 44.193 42.059 -0.088 0.000 1.249 314 L HN 0.464 nan 8.230 nan 0.000 0.409 315 V N 1.657 121.522 119.914 -0.082 0.000 2.406 315 V HA 0.123 4.261 4.120 0.031 0.000 0.272 315 V C -0.094 175.981 176.094 -0.032 0.000 1.043 315 V CA -0.386 61.874 62.300 -0.066 0.000 0.915 315 V CB 1.422 33.151 31.823 -0.157 0.000 0.988 315 V HN 0.624 nan 8.190 nan 0.000 0.466 316 D N 4.671 125.076 120.400 0.007 0.000 2.365 316 D HA 0.204 4.862 4.640 0.031 0.000 0.237 316 D C 0.639 176.978 176.300 0.064 0.000 1.190 316 D CA -0.047 53.963 54.000 0.016 0.000 0.867 316 D CB 1.137 41.947 40.800 0.018 0.000 1.050 316 D HN 0.456 nan 8.370 nan 0.000 0.491 317 L N 3.617 124.872 121.223 0.054 0.000 2.591 317 L HA 0.165 4.523 4.340 0.031 0.000 0.228 317 L C 2.315 179.231 176.870 0.076 0.000 1.133 317 L CA -0.097 54.797 54.840 0.090 0.000 0.880 317 L CB -0.002 42.096 42.059 0.065 0.000 1.033 317 L HN 0.281 nan 8.230 nan 0.000 0.450 318 R N 0.623 121.156 120.500 0.056 0.000 2.091 318 R HA -0.163 4.196 4.340 0.031 0.000 0.238 318 R C -0.374 175.953 176.300 0.044 0.000 1.136 318 R CA 1.463 57.590 56.100 0.045 0.000 0.959 318 R CB -1.450 28.874 30.300 0.039 0.000 0.856 318 R HN 0.315 nan 8.270 nan 0.000 0.437 319 P HA -0.131 nan 4.420 nan 0.000 0.219 319 P C 0.536 177.850 177.300 0.023 0.000 1.146 319 P CA 1.232 64.351 63.100 0.031 0.000 0.808 319 P CB 0.145 31.862 31.700 0.029 0.000 0.779 320 Q N -1.187 118.640 119.800 0.046 0.000 2.360 320 Q HA 0.114 4.472 4.340 0.031 0.000 0.202 320 Q C 0.278 176.303 176.000 0.041 0.000 0.915 320 Q CA 0.119 55.947 55.803 0.042 0.000 0.943 320 Q CB -0.395 28.397 28.738 0.090 0.000 1.064 320 Q HN 0.127 nan 8.270 nan 0.000 0.511 321 Q N -0.360 119.463 119.800 0.038 0.000 2.475 321 Q HA -0.217 4.141 4.340 0.031 0.000 0.280 321 Q C -0.925 175.097 176.000 0.037 0.000 1.234 321 Q CA 0.723 56.546 55.803 0.032 0.000 0.873 321 Q CB -1.955 26.797 28.738 0.024 0.000 1.256 321 Q HN 0.398 nan 8.270 nan 0.000 0.475 322 L N 0.191 121.442 121.223 0.047 0.000 2.346 322 L HA 0.495 4.854 4.340 0.031 0.000 0.274 322 L C 0.972 177.865 176.870 0.038 0.000 1.007 322 L CA -0.639 54.228 54.840 0.046 0.000 0.818 322 L CB 1.876 43.972 42.059 0.062 0.000 1.284 322 L HN 0.090 nan 8.230 nan 0.000 0.424 323 T N -1.624 112.949 114.554 0.031 0.000 2.899 323 T HA 0.254 4.623 4.350 0.031 0.000 0.284 323 T C 1.254 175.965 174.700 0.018 0.000 1.004 323 T CA -0.091 62.024 62.100 0.025 0.000 1.043 323 T CB 1.643 70.526 68.868 0.026 0.000 1.013 323 T HN 0.702 nan 8.240 nan 0.000 0.518 324 G N 0.284 109.089 108.800 0.008 0.000 2.442 324 G HA2 -0.215 3.764 3.960 0.031 0.000 0.219 324 G HA3 -0.215 3.764 3.960 0.031 0.000 0.219 324 G C 1.374 176.275 174.900 0.002 0.000 1.141 324 G CA 0.916 46.014 45.100 -0.004 0.000 0.763 324 G HN 0.847 nan 8.290 nan 0.000 0.554 325 K N -0.224 120.184 120.400 0.013 0.000 2.026 325 K HA -0.106 4.232 4.320 0.031 0.000 0.208 325 K C 2.598 179.209 176.600 0.019 0.000 1.048 325 K CA 1.763 58.062 56.287 0.020 0.000 0.929 325 K CB -0.333 32.188 32.500 0.033 0.000 0.713 325 K HN 0.266 nan 8.250 nan 0.000 0.439 326 T N 0.716 115.282 114.554 0.021 0.000 2.708 326 T HA -0.137 4.231 4.350 0.031 0.000 0.266 326 T C 1.844 176.556 174.700 0.019 0.000 1.037 326 T CA 1.399 63.512 62.100 0.022 0.000 1.146 326 T CB -0.326 68.557 68.868 0.026 0.000 0.865 326 T HN 0.431 nan 8.240 nan 0.000 0.435 327 A N 1.362 124.191 122.820 0.016 0.000 1.877 327 A HA -0.156 4.183 4.320 0.031 0.000 0.216 327 A C 2.216 179.800 177.584 -0.001 0.000 1.186 327 A CA 2.030 54.072 52.037 0.009 0.000 0.620 327 A CB -0.737 18.261 19.000 -0.004 0.000 0.822 327 A HN 0.641 nan 8.150 nan 0.000 0.443 328 E N -0.028 120.170 120.200 -0.003 0.000 2.070 328 E HA -0.298 4.071 4.350 0.031 0.000 0.197 328 E C 2.096 178.699 176.600 0.005 0.000 1.004 328 E CA 1.808 58.206 56.400 -0.003 0.000 0.805 328 E CB -0.181 29.518 29.700 -0.002 0.000 0.744 328 E HN 0.635 nan 8.360 nan 0.000 0.451 329 K N 0.198 120.604 120.400 0.011 0.000 2.026 329 K HA -0.132 4.206 4.320 0.031 0.000 0.208 329 K C 2.180 178.789 176.600 0.014 0.000 1.048 329 K CA 1.432 57.727 56.287 0.014 0.000 0.929 329 K CB -0.240 32.270 32.500 0.016 0.000 0.713 329 K HN 0.156 nan 8.250 nan 0.000 0.439 330 V N 1.408 121.331 119.914 0.016 0.000 2.427 330 V HA -0.161 3.977 4.120 0.031 0.000 0.248 330 V C 2.081 178.185 176.094 0.017 0.000 1.051 330 V CA 1.343 63.655 62.300 0.019 0.000 1.048 330 V CB -0.180 31.658 31.823 0.024 0.000 0.666 330 V HN 0.345 nan 8.190 nan 0.000 0.456 331 L N 0.156 121.387 121.223 0.012 0.000 2.083 331 L HA -0.189 4.169 4.340 0.031 0.000 0.209 331 L C 2.357 179.234 176.870 0.012 0.000 1.083 331 L CA 2.249 57.095 54.840 0.009 0.000 0.752 331 L CB -0.703 41.354 42.059 -0.003 0.000 0.899 331 L HN 0.463 nan 8.230 nan 0.000 0.433 332 D N 0.149 120.556 120.400 0.011 0.000 2.182 332 D HA -0.231 4.428 4.640 0.031 0.000 0.201 332 D C 1.970 178.279 176.300 0.015 0.000 0.986 332 D CA 1.188 55.196 54.000 0.013 0.000 0.847 332 D CB 0.125 40.933 40.800 0.013 0.000 0.942 332 D HN 0.325 nan 8.370 nan 0.000 0.467 333 E N -0.573 119.637 120.200 0.016 0.000 2.268 333 E HA -0.112 4.257 4.350 0.031 0.000 0.195 333 E C 1.950 178.561 176.600 0.018 0.000 0.995 333 E CA 1.102 57.512 56.400 0.016 0.000 0.836 333 E CB 0.225 29.935 29.700 0.017 0.000 0.763 333 E HN 0.461 nan 8.360 nan 0.000 0.491 334 V N -3.974 115.951 119.914 0.019 0.000 3.578 334 V HA 0.470 4.608 4.120 0.031 0.000 0.290 334 V C 1.086 177.194 176.094 0.023 0.000 1.376 334 V CA 0.406 62.719 62.300 0.022 0.000 1.083 334 V CB 0.419 32.257 31.823 0.025 0.000 0.911 334 V HN 0.214 nan 8.190 nan 0.000 0.433 335 G N 0.947 109.760 108.800 0.021 0.000 2.134 335 G HA2 -0.174 3.804 3.960 0.031 0.000 0.209 335 G HA3 -0.174 3.804 3.960 0.031 0.000 0.209 335 G C -0.211 174.704 174.900 0.025 0.000 0.993 335 G CA 0.122 45.235 45.100 0.022 0.000 0.669 335 G HN 0.581 nan 8.290 nan 0.000 0.519 336 I N 2.014 122.598 120.570 0.022 0.000 2.339 336 I HA 0.361 4.550 4.170 0.031 0.000 0.290 336 I C 0.094 176.218 176.117 0.011 0.000 0.994 336 I CA -0.539 60.773 61.300 0.019 0.000 1.191 336 I CB 1.762 39.773 38.000 0.017 0.000 1.343 336 I HN 0.018 nan 8.210 nan 0.000 0.458 337 T N 6.575 121.136 114.554 0.011 0.000 2.753 337 T HA 0.492 4.861 4.350 0.031 0.000 0.297 337 T C -0.002 174.697 174.700 -0.002 0.000 0.981 337 T CA -0.530 61.575 62.100 0.008 0.000 0.956 337 T CB 0.933 69.810 68.868 0.015 0.000 0.936 337 T HN 0.442 nan 8.240 nan 0.000 0.463 338 V N 1.165 121.074 119.914 -0.008 0.000 3.158 338 V HA 0.794 4.932 4.120 0.031 0.000 0.311 338 V C -1.023 175.064 176.094 -0.012 0.000 1.181 338 V CA -1.389 60.901 62.300 -0.017 0.000 1.054 338 V CB 2.437 34.239 31.823 -0.035 0.000 1.085 338 V HN 0.875 nan 8.190 nan 0.000 0.446 339 N N 0.225 118.915 118.700 -0.017 0.000 2.238 339 N HA 0.361 5.120 4.740 0.031 0.000 0.302 339 N C -0.781 174.712 175.510 -0.028 0.000 1.072 339 N CA -0.816 52.224 53.050 -0.016 0.000 0.792 339 N CB 2.654 41.136 38.487 -0.008 0.000 1.425 339 N HN 0.995 nan 8.380 nan 0.000 0.478 340 K N 1.224 121.609 120.400 -0.026 0.000 2.469 340 K HA 0.064 4.402 4.320 0.031 0.000 0.274 340 K C -0.937 175.634 176.600 -0.049 0.000 0.983 340 K CA -0.012 56.255 56.287 -0.033 0.000 0.974 340 K CB 0.302 32.789 32.500 -0.021 0.000 0.913 340 K HN 0.717 nan 8.250 nan 0.000 0.493 341 N N 0.501 119.167 118.700 -0.057 0.000 2.452 341 N HA 0.110 4.869 4.740 0.031 0.000 0.277 341 N C -1.706 173.761 175.510 -0.072 0.000 1.078 341 N CA -0.482 52.526 53.050 -0.071 0.000 0.947 341 N CB 1.990 40.436 38.487 -0.067 0.000 1.655 341 N HN 0.637 nan 8.380 nan 0.000 0.490 342 T N 2.768 117.272 114.554 -0.084 0.000 2.946 342 T HA 0.205 4.573 4.350 0.031 0.000 0.311 342 T C 0.481 175.134 174.700 -0.077 0.000 1.063 342 T CA 0.231 62.286 62.100 -0.075 0.000 1.139 342 T CB -0.241 68.577 68.868 -0.083 0.000 0.994 342 T HN 0.417 nan 8.240 nan 0.000 0.547 343 I N 0.549 121.070 120.570 -0.082 0.000 2.707 343 I HA 0.615 4.804 4.170 0.031 0.000 0.309 343 I C -2.824 173.200 176.117 -0.154 0.000 1.001 343 I CA -3.579 57.646 61.300 -0.126 0.000 1.129 343 I CB 1.223 39.145 38.000 -0.130 0.000 1.308 343 I HN 0.278 nan 8.210 nan 0.000 0.466 344 P HA 0.015 nan 4.420 nan 0.000 0.262 344 P C -1.241 175.954 177.300 -0.174 0.000 1.182 344 P CA 0.716 63.545 63.100 -0.452 0.000 0.761 344 P CB -0.202 31.235 31.700 -0.438 0.000 0.795 345 Y N -0.640 119.583 120.300 -0.128 0.000 3.929 345 Y HA -0.259 4.310 4.550 0.031 0.000 0.225 345 Y C 0.794 176.694 175.900 0.001 0.000 1.200 345 Y CA 0.304 58.404 58.100 0.001 0.000 1.791 345 Y CB -2.387 36.074 38.460 0.001 0.000 1.561 345 Y HN 0.390 nan 8.280 nan 0.000 0.657 346 D N 2.170 122.600 120.400 0.050 0.000 2.450 346 D HA 0.037 4.695 4.640 0.031 0.000 0.247 346 D C -0.783 175.548 176.300 0.053 0.000 1.162 346 D CA -1.039 52.981 54.000 0.034 0.000 0.879 346 D CB 1.114 41.911 40.800 -0.005 0.000 1.163 346 D HN 0.166 nan 8.370 nan 0.000 0.472 347 P HA -0.013 nan 4.420 nan 0.000 0.233 347 P C -0.014 177.311 177.300 0.041 0.000 1.167 347 P CA 0.569 63.700 63.100 0.051 0.000 0.770 347 P CB 0.612 32.340 31.700 0.047 0.000 0.837 348 E N 0.439 120.659 120.200 0.034 0.000 2.250 348 E HA 0.249 4.618 4.350 0.031 0.000 0.269 348 E C 0.413 177.035 176.600 0.037 0.000 1.018 348 E CA -0.492 55.930 56.400 0.036 0.000 0.873 348 E CB 1.242 30.961 29.700 0.031 0.000 1.134 348 E HN 0.053 nan 8.360 nan 0.000 0.403 349 S N 0.981 116.718 115.700 0.061 0.000 2.584 349 S HA 0.092 4.580 4.470 0.031 0.000 0.270 349 S C -1.602 173.018 174.600 0.034 0.000 1.346 349 S CA -0.928 57.325 58.200 0.089 0.000 1.018 349 S CB 0.660 63.973 63.200 0.188 0.000 0.899 349 S HN 0.268 nan 8.310 nan 0.000 0.542 350 P HA -0.042 nan 4.420 nan 0.000 0.228 350 P C 0.551 177.636 177.300 -0.358 0.000 1.151 350 P CA 1.057 64.003 63.100 -0.257 0.000 0.770 350 P CB -0.224 31.222 31.700 -0.423 0.000 0.786 351 F N -1.613 118.324 119.950 -0.022 0.000 2.754 351 F HA 0.040 4.585 4.527 0.030 0.000 0.297 351 F C 2.132 177.925 175.800 -0.013 0.000 1.122 351 F CA 0.330 58.319 58.000 -0.018 0.000 1.400 351 F CB -0.163 38.827 39.000 -0.016 0.000 1.117 351 F HN -0.264 nan 8.300 nan 0.000 0.587 352 V N -1.888 118.104 119.914 0.130 0.000 2.950 352 V HA 0.149 4.287 4.120 0.031 0.000 0.231 352 V C 0.630 176.743 176.094 0.031 0.000 1.205 352 V CA 0.870 63.216 62.300 0.076 0.000 1.239 352 V CB -0.065 31.802 31.823 0.073 0.000 1.050 352 V HN 0.378 nan 8.190 nan 0.000 0.498 353 T N -0.706 113.857 114.554 0.016 0.000 0.541 353 T HA -0.228 4.140 4.350 0.031 0.000 0.774 353 T C 0.175 174.876 174.700 0.000 0.000 0.992 353 T CA 0.403 62.498 62.100 -0.008 0.000 4.077 353 T CB -1.438 67.410 68.868 -0.033 0.000 2.303 353 T HN 0.359 nan 8.240 nan 0.000 0.398 354 S N 1.063 116.759 115.700 -0.007 0.000 2.593 354 S HA 0.582 5.071 4.470 0.031 0.000 0.236 354 S C 0.760 175.354 174.600 -0.009 0.000 0.991 354 S CA -0.039 58.161 58.200 0.001 0.000 0.963 354 S CB 0.631 63.835 63.200 0.006 0.000 0.865 354 S HN 1.238 nan 8.310 nan 0.000 0.488 355 G N 1.563 110.348 108.800 -0.025 0.000 2.672 355 G HA2 0.722 4.700 3.960 0.031 0.000 0.292 355 G HA3 0.722 4.700 3.960 0.031 0.000 0.292 355 G C -1.243 173.628 174.900 -0.047 0.000 1.375 355 G CA -0.899 44.177 45.100 -0.040 0.000 0.890 355 G HN 0.308 nan 8.290 nan 0.000 0.476 356 I N -1.842 118.690 120.570 -0.064 0.000 2.545 356 I HA 0.745 4.934 4.170 0.031 0.000 0.292 356 I C -0.348 175.721 176.117 -0.079 0.000 1.040 356 I CA -1.210 60.048 61.300 -0.069 0.000 1.068 356 I CB 2.479 40.432 38.000 -0.079 0.000 1.251 356 I HN 0.448 nan 8.210 nan 0.000 0.424 357 R N 5.629 126.089 120.500 -0.068 0.000 2.368 357 R HA 0.775 5.133 4.340 0.031 0.000 0.302 357 R C -1.494 174.768 176.300 -0.064 0.000 1.002 357 R CA -0.535 55.522 56.100 -0.072 0.000 0.929 357 R CB 1.301 31.563 30.300 -0.063 0.000 1.073 357 R HN 0.814 nan 8.270 nan 0.000 0.464 358 I N 2.396 122.920 120.570 -0.076 0.000 2.619 358 I HA 0.448 4.637 4.170 0.031 0.000 0.292 358 I C -0.110 175.968 176.117 -0.066 0.000 1.100 358 I CA -0.777 60.486 61.300 -0.062 0.000 1.043 358 I CB 2.508 40.464 38.000 -0.074 0.000 1.239 358 I HN 0.785 nan 8.210 nan 0.000 0.420 359 G N 1.319 110.103 108.800 -0.025 0.000 2.619 359 G HA2 0.512 4.491 3.960 0.031 0.000 0.296 359 G HA3 0.512 4.491 3.960 0.031 0.000 0.296 359 G C 0.081 175.000 174.900 0.032 0.000 1.334 359 G CA -0.262 44.838 45.100 0.000 0.000 0.934 359 G HN 0.583 nan 8.290 nan 0.000 0.476 360 T N -2.249 112.339 114.554 0.057 0.000 3.054 360 T HA 0.374 4.742 4.350 0.031 0.000 0.255 360 T C 2.129 176.862 174.700 0.054 0.000 1.035 360 T CA 1.202 63.329 62.100 0.045 0.000 0.941 360 T CB 0.672 69.562 68.868 0.036 0.000 1.026 360 T HN 0.736 nan 8.240 nan 0.000 0.533 361 A N 1.897 124.769 122.820 0.087 0.000 1.908 361 A HA 0.254 4.592 4.320 0.031 0.000 0.218 361 A C 2.694 180.363 177.584 0.141 0.000 1.181 361 A CA 1.830 53.932 52.037 0.109 0.000 0.627 361 A CB -1.332 17.736 19.000 0.114 0.000 0.818 361 A HN 0.727 nan 8.150 nan 0.000 0.445 362 A N -0.148 122.684 122.820 0.021 0.000 1.855 362 A HA 0.027 4.366 4.320 0.031 0.000 0.215 362 A C 2.334 179.981 177.584 0.105 0.000 1.191 362 A CA 2.223 54.230 52.037 -0.051 0.000 0.613 362 A CB -1.304 17.530 19.000 -0.276 0.000 0.829 362 A HN 1.120 nan 8.150 nan 0.000 0.442 363 V N -2.331 117.561 119.914 -0.036 0.000 2.490 363 V HA -0.179 3.960 4.120 0.031 0.000 0.250 363 V C 2.176 178.223 176.094 -0.077 0.000 1.061 363 V CA 2.637 64.760 62.300 -0.294 0.000 1.064 363 V CB -1.950 29.610 31.823 -0.440 0.000 0.670 363 V HN 0.425 nan 8.190 nan 0.000 0.461 364 T N 0.577 115.193 114.554 0.103 0.000 2.746 364 T HA -0.165 4.204 4.350 0.031 0.000 0.267 364 T C 1.950 176.847 174.700 0.329 0.000 1.039 364 T CA 2.262 64.491 62.100 0.215 0.000 1.142 364 T CB -0.671 68.274 68.868 0.128 0.000 0.866 364 T HN 0.646 nan 8.240 nan 0.000 0.444 365 T N 1.933 116.708 114.554 0.367 0.000 2.759 365 T HA -0.076 4.292 4.350 0.031 0.000 0.269 365 T C 1.933 176.728 174.700 0.157 0.000 1.042 365 T CA 0.814 63.040 62.100 0.211 0.000 1.140 365 T CB -0.116 68.861 68.868 0.182 0.000 0.864 365 T HN 0.173 nan 8.240 nan 0.000 0.455 366 R N 0.429 121.015 120.500 0.143 0.000 2.323 366 R HA 0.159 4.517 4.340 0.031 0.000 0.198 366 R C 1.826 178.250 176.300 0.207 0.000 0.988 366 R CA 0.630 56.777 56.100 0.078 0.000 1.041 366 R CB -0.612 29.628 30.300 -0.100 0.000 0.926 366 R HN 0.571 nan 8.270 nan 0.000 0.476 367 G N 0.450 109.395 108.800 0.241 0.000 2.157 367 G HA2 -0.262 3.717 3.960 0.031 0.000 0.239 367 G HA3 -0.262 3.717 3.960 0.031 0.000 0.239 367 G C 0.192 175.299 174.900 0.345 0.000 0.982 367 G CA -0.390 44.863 45.100 0.255 0.000 0.650 367 G HN 0.316 nan 8.290 nan 0.000 0.527 368 F N 0.889 120.882 119.950 0.071 0.000 2.518 368 F HA 0.430 4.976 4.527 0.033 0.000 0.359 368 F C 1.510 177.338 175.800 0.047 0.000 1.118 368 F CA 0.399 58.431 58.000 0.053 0.000 1.287 368 F CB 0.951 39.984 39.000 0.055 0.000 1.132 368 F HN 0.235 nan 8.300 nan 0.000 0.587 369 G N 1.961 110.850 108.800 0.148 0.000 3.262 369 G HA2 0.399 4.378 3.960 0.031 0.000 0.229 369 G HA3 0.399 4.378 3.960 0.031 0.000 0.229 369 G C 0.487 175.422 174.900 0.059 0.000 1.280 369 G CA -0.816 44.337 45.100 0.089 0.000 0.951 369 G HN 0.558 nan 8.290 nan 0.000 0.589 370 L N -0.010 121.234 121.223 0.034 0.000 2.042 370 L HA -0.065 4.293 4.340 0.031 0.000 0.210 370 L C 2.784 179.661 176.870 0.012 0.000 1.076 370 L CA 1.145 56.000 54.840 0.025 0.000 0.749 370 L CB -0.336 41.733 42.059 0.017 0.000 0.893 370 L HN 0.379 nan 8.230 nan 0.000 0.432 371 E N 0.441 120.636 120.200 -0.007 0.000 2.110 371 E HA -0.215 4.154 4.350 0.031 0.000 0.193 371 E C 2.102 178.677 176.600 -0.042 0.000 0.988 371 E CA 1.227 57.612 56.400 -0.025 0.000 0.804 371 E CB -0.121 29.555 29.700 -0.040 0.000 0.745 371 E HN 0.504 nan 8.360 nan 0.000 0.458 372 E N 0.036 120.195 120.200 -0.069 0.000 2.106 372 E HA -0.081 4.287 4.350 0.031 0.000 0.192 372 E C 1.980 178.597 176.600 0.028 0.000 0.984 372 E CA 0.690 57.026 56.400 -0.106 0.000 0.806 372 E CB -0.136 29.380 29.700 -0.306 0.000 0.750 372 E HN 0.127 nan 8.360 nan 0.000 0.458 373 M N 0.870 120.509 119.600 0.065 0.000 2.080 373 M HA -0.161 4.338 4.480 0.031 0.000 0.260 373 M C 1.368 177.699 176.300 0.051 0.000 1.068 373 M CA 1.451 56.797 55.300 0.075 0.000 1.109 373 M CB -0.983 31.655 32.600 0.064 0.000 1.342 373 M HN 0.047 nan 8.290 nan 0.000 0.405 374 D N 0.125 120.545 120.400 0.032 0.000 2.123 374 D HA -0.188 4.471 4.640 0.031 0.000 0.196 374 D C 2.013 178.332 176.300 0.031 0.000 0.992 374 D CA 1.464 55.482 54.000 0.029 0.000 0.833 374 D CB -0.236 40.574 40.800 0.016 0.000 0.954 374 D HN 0.407 nan 8.370 nan 0.000 0.455 375 E N 0.539 120.750 120.200 0.018 0.000 2.072 375 E HA -0.078 4.290 4.350 0.031 0.000 0.191 375 E C 2.142 178.766 176.600 0.040 0.000 0.985 375 E CA 0.632 57.042 56.400 0.017 0.000 0.801 375 E CB -0.363 29.328 29.700 -0.015 0.000 0.750 375 E HN 0.275 nan 8.360 nan 0.000 0.452 376 I N 0.626 121.231 120.570 0.058 0.000 2.163 376 I HA -0.317 3.871 4.170 0.031 0.000 0.243 376 I C 2.419 178.569 176.117 0.056 0.000 1.085 376 I CA 1.253 62.597 61.300 0.074 0.000 1.347 376 I CB -0.489 37.574 38.000 0.106 0.000 1.044 376 I HN 0.228 nan 8.210 nan 0.000 0.408 377 A N 0.681 123.535 122.820 0.057 0.000 1.908 377 A HA -0.205 4.133 4.320 0.031 0.000 0.218 377 A C 2.537 180.187 177.584 0.110 0.000 1.181 377 A CA 2.029 54.110 52.037 0.073 0.000 0.627 377 A CB -0.904 18.145 19.000 0.081 0.000 0.818 377 A HN 0.457 nan 8.150 nan 0.000 0.445 378 A N -0.168 122.703 122.820 0.084 0.000 1.902 378 A HA -0.067 4.271 4.320 0.031 0.000 0.217 378 A C 2.107 179.740 177.584 0.082 0.000 1.181 378 A CA 1.522 53.607 52.037 0.080 0.000 0.623 378 A CB -0.608 18.422 19.000 0.050 0.000 0.818 378 A HN 0.511 nan 8.150 nan 0.000 0.443 379 I N -0.325 120.285 120.570 0.067 0.000 2.226 379 I HA -0.249 3.939 4.170 0.031 0.000 0.245 379 I C 2.266 178.427 176.117 0.074 0.000 1.100 379 I CA 1.248 62.584 61.300 0.061 0.000 1.374 379 I CB -0.336 37.694 38.000 0.049 0.000 1.057 379 I HN 0.291 nan 8.210 nan 0.000 0.413 380 I N 0.760 121.373 120.570 0.072 0.000 2.226 380 I HA -0.225 3.964 4.170 0.031 0.000 0.245 380 I C 2.711 178.951 176.117 0.206 0.000 1.100 380 I CA 1.630 62.965 61.300 0.059 0.000 1.374 380 I CB -0.981 36.977 38.000 -0.070 0.000 1.057 380 I HN 0.285 nan 8.210 nan 0.000 0.413 381 G N 1.266 110.259 108.800 0.322 0.000 2.459 381 G HA2 -0.298 3.680 3.960 0.031 0.000 0.217 381 G HA3 -0.298 3.680 3.960 0.031 0.000 0.217 381 G C 1.659 176.663 174.900 0.174 0.000 1.183 381 G CA 0.927 46.239 45.100 0.352 0.000 0.776 381 G HN 0.290 nan 8.290 nan 0.000 0.552 382 L N 0.708 122.000 121.223 0.115 0.000 2.012 382 L HA -0.064 4.295 4.340 0.031 0.000 0.210 382 L C 2.892 179.806 176.870 0.074 0.000 1.073 382 L CA 1.670 56.553 54.840 0.072 0.000 0.748 382 L CB -0.539 41.552 42.059 0.054 0.000 0.891 382 L HN 0.098 nan 8.230 nan 0.000 0.431 383 V N -0.384 119.582 119.914 0.086 0.000 2.270 383 V HA -0.261 3.878 4.120 0.031 0.000 0.245 383 V C 2.455 178.602 176.094 0.089 0.000 1.043 383 V CA 1.997 64.340 62.300 0.072 0.000 1.014 383 V CB -0.526 31.331 31.823 0.058 0.000 0.645 383 V HN 0.440 nan 8.190 nan 0.000 0.447 384 L N -0.615 120.694 121.223 0.144 0.000 2.376 384 L HA -0.058 4.301 4.340 0.031 0.000 0.219 384 L C 2.188 179.137 176.870 0.132 0.000 1.133 384 L CA 1.147 56.088 54.840 0.168 0.000 0.816 384 L CB -0.471 41.758 42.059 0.283 0.000 0.933 384 L HN 0.304 nan 8.230 nan 0.000 0.449 385 K N 0.221 120.681 120.400 0.100 0.000 2.426 385 K HA 0.053 4.392 4.320 0.031 0.000 0.193 385 K C 0.005 176.622 176.600 0.029 0.000 1.028 385 K CA 0.323 56.631 56.287 0.036 0.000 1.047 385 K CB 0.192 32.690 32.500 -0.004 0.000 0.821 385 K HN 0.284 nan 8.250 nan 0.000 0.513 386 N N -0.325 118.400 118.700 0.041 0.000 2.628 386 N HA 0.040 4.799 4.740 0.031 0.000 0.299 386 N C 0.209 175.738 175.510 0.032 0.000 1.834 386 N CA -0.076 52.992 53.050 0.030 0.000 0.871 386 N CB 1.358 39.861 38.487 0.027 0.000 1.377 386 N HN -0.201 nan 8.380 nan 0.000 0.493 387 V N -0.454 119.481 119.914 0.035 0.000 2.688 387 V HA -0.114 4.025 4.120 0.031 0.000 0.256 387 V C 2.013 178.122 176.094 0.025 0.000 1.084 387 V CA 2.160 64.480 62.300 0.033 0.000 1.103 387 V CB -0.386 31.458 31.823 0.036 0.000 0.688 387 V HN 0.594 nan 8.190 nan 0.000 0.480 388 G N -1.156 107.657 108.800 0.021 0.000 3.189 388 G HA2 0.094 4.072 3.960 0.031 0.000 0.225 388 G HA3 0.094 4.072 3.960 0.031 0.000 0.225 388 G C 0.542 175.451 174.900 0.015 0.000 1.159 388 G CA 0.591 45.701 45.100 0.017 0.000 0.763 388 G HN 0.426 nan 8.290 nan 0.000 0.549 389 S N 0.361 116.072 115.700 0.017 0.000 2.520 389 S HA 0.323 4.812 4.470 0.031 0.000 0.324 389 S C 1.049 175.659 174.600 0.016 0.000 1.069 389 S CA -0.563 57.646 58.200 0.015 0.000 1.121 389 S CB 0.899 64.108 63.200 0.015 0.000 0.971 389 S HN 0.145 nan 8.310 nan 0.000 0.463 390 E N 3.585 123.794 120.200 0.014 0.000 2.153 390 E HA -0.159 4.210 4.350 0.031 0.000 0.194 390 E C 1.702 178.310 176.600 0.014 0.000 0.988 390 E CA 1.305 57.713 56.400 0.014 0.000 0.811 390 E CB -0.045 29.663 29.700 0.012 0.000 0.746 390 E HN 0.796 nan 8.360 nan 0.000 0.466 391 Q N 0.134 119.941 119.800 0.013 0.000 2.050 391 Q HA -0.112 4.246 4.340 0.031 0.000 0.202 391 Q C 2.191 178.200 176.000 0.015 0.000 0.980 391 Q CA 1.569 57.380 55.803 0.012 0.000 0.840 391 Q CB -0.202 28.543 28.738 0.011 0.000 0.898 391 Q HN 0.251 nan 8.270 nan 0.000 0.424 392 A N 0.892 123.722 122.820 0.016 0.000 1.902 392 A HA -0.164 4.175 4.320 0.031 0.000 0.217 392 A C 2.058 179.656 177.584 0.022 0.000 1.181 392 A CA 1.149 53.198 52.037 0.020 0.000 0.623 392 A CB -0.685 18.329 19.000 0.022 0.000 0.818 392 A HN 0.292 nan 8.150 nan 0.000 0.443 393 L N -0.967 120.270 121.223 0.022 0.000 2.093 393 L HA -0.168 4.191 4.340 0.031 0.000 0.208 393 L C 2.634 179.516 176.870 0.020 0.000 1.085 393 L CA 1.657 56.511 54.840 0.023 0.000 0.755 393 L CB -0.505 41.567 42.059 0.021 0.000 0.904 393 L HN 0.461 nan 8.230 nan 0.000 0.435 394 E N 0.815 121.025 120.200 0.018 0.000 2.072 394 E HA -0.258 4.110 4.350 0.031 0.000 0.191 394 E C 2.009 178.619 176.600 0.017 0.000 0.985 394 E CA 1.415 57.824 56.400 0.016 0.000 0.801 394 E CB -0.010 29.698 29.700 0.014 0.000 0.750 394 E HN 0.406 nan 8.360 nan 0.000 0.452 395 E N -0.343 119.867 120.200 0.017 0.000 2.058 395 E HA -0.233 4.135 4.350 0.031 0.000 0.194 395 E C 1.942 178.554 176.600 0.020 0.000 0.997 395 E CA 1.186 57.596 56.400 0.017 0.000 0.801 395 E CB -0.271 29.439 29.700 0.016 0.000 0.746 395 E HN 0.323 nan 8.360 nan 0.000 0.450 396 A N 1.334 124.168 122.820 0.023 0.000 1.883 396 A HA -0.234 4.105 4.320 0.031 0.000 0.217 396 A C 2.216 179.816 177.584 0.026 0.000 1.186 396 A CA 1.787 53.840 52.037 0.028 0.000 0.624 396 A CB -0.643 18.375 19.000 0.031 0.000 0.822 396 A HN 0.232 nan 8.150 nan 0.000 0.444 397 R N -0.580 119.934 120.500 0.023 0.000 2.096 397 R HA -0.203 4.155 4.340 0.031 0.000 0.240 397 R C 2.486 178.798 176.300 0.021 0.000 1.139 397 R CA 2.107 58.221 56.100 0.022 0.000 0.952 397 R CB -0.309 30.003 30.300 0.019 0.000 0.854 397 R HN 0.729 nan 8.270 nan 0.000 0.436 398 Q N -0.652 119.159 119.800 0.018 0.000 2.124 398 Q HA -0.156 4.202 4.340 0.031 0.000 0.202 398 Q C 2.184 178.193 176.000 0.015 0.000 0.977 398 Q CA 1.536 57.348 55.803 0.016 0.000 0.850 398 Q CB -0.008 28.738 28.738 0.013 0.000 0.901 398 Q HN 0.317 nan 8.270 nan 0.000 0.429 399 R N -0.199 120.311 120.500 0.017 0.000 2.092 399 R HA -0.083 4.275 4.340 0.031 0.000 0.231 399 R C 2.303 178.615 176.300 0.020 0.000 1.119 399 R CA 1.030 57.139 56.100 0.015 0.000 0.970 399 R CB -0.242 30.068 30.300 0.017 0.000 0.864 399 R HN 0.076 nan 8.270 nan 0.000 0.440 400 V N 1.058 120.990 119.914 0.030 0.000 2.295 400 V HA -0.255 3.883 4.120 0.031 0.000 0.246 400 V C 2.433 178.549 176.094 0.037 0.000 1.049 400 V CA 2.022 64.348 62.300 0.043 0.000 1.024 400 V CB -0.702 31.146 31.823 0.042 0.000 0.648 400 V HN 0.414 nan 8.190 nan 0.000 0.447 401 A N -0.016 122.818 122.820 0.025 0.000 1.940 401 A HA -0.154 4.184 4.320 0.031 0.000 0.219 401 A C 2.412 180.005 177.584 0.016 0.000 1.176 401 A CA 2.140 54.189 52.037 0.020 0.000 0.631 401 A CB -0.772 18.241 19.000 0.021 0.000 0.814 401 A HN 0.592 nan 8.150 nan 0.000 0.446 402 A N -0.502 122.324 122.820 0.009 0.000 1.972 402 A HA -0.013 4.326 4.320 0.031 0.000 0.219 402 A C 2.149 179.720 177.584 -0.023 0.000 1.169 402 A CA 1.445 53.479 52.037 -0.004 0.000 0.635 402 A CB -0.497 18.496 19.000 -0.011 0.000 0.810 402 A HN 0.482 nan 8.150 nan 0.000 0.446 403 L N -0.406 120.806 121.223 -0.019 0.000 2.109 403 L HA -0.109 4.250 4.340 0.031 0.000 0.207 403 L C 2.751 179.640 176.870 0.033 0.000 1.086 403 L CA 1.742 56.546 54.840 -0.060 0.000 0.760 403 L CB -0.434 41.622 42.059 -0.005 0.000 0.910 403 L HN 0.636 nan 8.230 nan 0.000 0.437 404 T N -5.213 109.379 114.554 0.064 0.000 3.081 404 T HA 0.113 4.481 4.350 0.031 0.000 0.250 404 T C 0.181 174.847 174.700 -0.056 0.000 1.100 404 T CA -0.312 61.783 62.100 -0.008 0.000 1.038 404 T CB 0.024 68.814 68.868 -0.131 0.000 0.962 404 T HN 0.224 nan 8.240 nan 0.000 0.516 405 D N 0.000 120.414 120.400 0.023 0.000 6.856 405 D HA 0.000 4.658 4.640 0.031 0.000 0.175 405 D CA 0.000 54.046 54.000 0.077 0.000 0.868 405 D CB 0.000 40.873 40.800 0.121 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683