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 3dh7_1_B DATA FIRST_RESID 9 DATA SEQUENCE KHLEACLEGE VAYQKTTTGL EGFRLRYQAL AGLALSEVDL TTPFLGKTLK DATA SEQUENCE APFLIGAMTX XXXXXERINL ALAEAAEALG VGMMLGSGRI LLERPEALRS DATA SEQUENCE FRVRKVAPKA LLIANLGLAQ LRRYGRDDLL RLVEMLEADA LAFHVNPLQE DATA SEQUENCE AVQRGDTDFR GLVERLAELL PLPFPVMVKE VGHGLSREAA LALRDLPLAA DATA SEQUENCE VDVAGAGGTS WARVEEWVRF GEVRHPELCE IGIPTARAIL EVREVLPHLP DATA SEQUENCE LVASGGVYTG TDGAKALALG ADLLAVARPL LRPALEGAER VAAWIGDYLE DATA SEQUENCE ELRTALFAIG ARNPKEARGR VERV 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.591 176.600 -0.015 0.000 0.988 9 K CA 0.000 56.281 56.287 -0.009 0.000 0.838 9 K CB 0.000 32.467 32.500 -0.055 0.000 1.064 10 H N 1.918 121.064 119.070 0.127 0.000 2.353 10 H HA -0.041 4.514 4.556 -0.001 0.000 0.298 10 H C 2.079 177.484 175.328 0.129 0.000 1.103 10 H CA 1.607 57.764 56.048 0.182 0.000 1.293 10 H CB 0.074 30.044 29.762 0.347 0.000 1.372 10 H HN -0.047 nan 8.280 nan 0.000 0.501 11 L N 1.457 122.831 121.223 0.252 0.000 1.978 11 L HA -0.257 4.083 4.340 -0.001 0.000 0.218 11 L C 1.903 178.809 176.870 0.061 0.000 1.075 11 L CA 2.142 57.060 54.840 0.129 0.000 0.767 11 L CB -0.908 41.209 42.059 0.096 0.000 0.890 11 L HN 0.509 nan 8.230 nan 0.000 0.434 12 E N -0.534 119.698 120.200 0.054 0.000 2.219 12 E HA -0.220 4.129 4.350 -0.001 0.000 0.198 12 E C 1.999 178.601 176.600 0.004 0.000 0.998 12 E CA 1.252 57.670 56.400 0.030 0.000 0.818 12 E CB -0.188 29.537 29.700 0.041 0.000 0.741 12 E HN 0.615 nan 8.360 nan 0.000 0.477 13 A N 0.903 123.721 122.820 -0.003 0.000 1.878 13 A HA -0.060 4.259 4.320 -0.001 0.000 0.213 13 A C 2.361 179.810 177.584 -0.225 0.000 1.192 13 A CA 0.634 52.612 52.037 -0.099 0.000 0.619 13 A CB -0.596 18.386 19.000 -0.030 0.000 0.837 13 A HN 0.362 nan 8.150 nan 0.000 0.446 14 C N -0.436 118.782 119.300 -0.137 0.000 2.419 14 C HA -0.006 4.454 4.460 -0.001 0.000 0.281 14 C C 2.550 177.444 174.990 -0.159 0.000 1.336 14 C CA 1.020 59.939 59.018 -0.166 0.000 1.770 14 C CB -1.494 26.213 27.740 -0.055 0.000 1.929 14 C HN 0.584 nan 8.230 nan 0.000 0.509 15 L N -0.281 120.871 121.223 -0.119 0.000 2.130 15 L HA 0.044 4.383 4.340 -0.001 0.000 0.200 15 L C 2.506 179.294 176.870 -0.137 0.000 1.075 15 L CA 1.250 56.025 54.840 -0.108 0.000 0.768 15 L CB -0.564 41.458 42.059 -0.061 0.000 0.933 15 L HN 0.089 nan 8.230 nan 0.000 0.451 16 E N 0.100 120.217 120.200 -0.139 0.000 2.170 16 E HA 0.057 4.407 4.350 -0.001 0.000 0.191 16 E C 0.962 177.365 176.600 -0.329 0.000 0.981 16 E CA 0.350 56.666 56.400 -0.140 0.000 0.830 16 E CB 0.139 29.832 29.700 -0.012 0.000 0.775 16 E HN 0.326 nan 8.360 nan 0.000 0.470 17 G N 0.932 109.345 108.800 -0.644 0.000 2.448 17 G HA2 0.202 4.161 3.960 -0.001 0.000 0.285 17 G HA3 0.202 4.161 3.960 -0.001 0.000 0.285 17 G C -0.702 173.583 174.900 -1.025 0.000 1.176 17 G CA -0.555 43.628 45.100 -1.529 0.000 0.852 17 G HN 0.179 nan 8.290 nan 0.000 0.530 18 E N 0.732 120.256 120.200 -1.128 0.000 2.026 18 E HA 0.204 4.553 4.350 -0.001 0.000 0.253 18 E C 0.602 176.947 176.600 -0.426 0.000 1.056 18 E CA -0.653 55.440 56.400 -0.513 0.000 0.927 18 E CB 0.917 30.446 29.700 -0.285 0.000 1.172 18 E HN 0.296 nan 8.360 nan 0.000 0.445 19 V N -0.689 118.984 119.914 -0.402 0.000 3.578 19 V HA 0.391 4.511 4.120 -0.001 0.000 0.290 19 V C 0.923 176.858 176.094 -0.264 0.000 1.376 19 V CA -0.028 62.071 62.300 -0.335 0.000 1.083 19 V CB -0.031 31.536 31.823 -0.427 0.000 0.911 19 V HN 0.512 nan 8.190 nan 0.000 0.433 20 A N -0.037 122.688 122.820 -0.158 0.000 2.407 20 A HA 0.555 4.874 4.320 -0.001 0.000 0.248 20 A C -0.280 177.311 177.584 0.011 0.000 1.082 20 A CA -0.268 51.756 52.037 -0.022 0.000 0.785 20 A CB -0.279 18.756 19.000 0.058 0.000 1.020 20 A HN 0.446 nan 8.150 nan 0.000 0.489 21 Y N 0.815 121.092 120.300 -0.039 0.000 2.811 21 Y HA -0.008 4.542 4.550 -0.001 0.000 0.334 21 Y C 1.671 177.569 175.900 -0.003 0.000 1.247 21 Y CA 0.750 58.835 58.100 -0.024 0.000 1.526 21 Y CB 0.487 38.923 38.460 -0.039 0.000 1.284 21 Y HN 0.690 nan 8.280 nan 0.000 0.586 22 Q N 1.990 121.883 119.800 0.155 0.000 2.297 22 Q HA 0.038 4.378 4.340 -0.001 0.000 0.203 22 Q C 1.018 177.078 176.000 0.101 0.000 0.931 22 Q CA 1.196 57.059 55.803 0.100 0.000 0.885 22 Q CB 0.302 29.087 28.738 0.079 0.000 0.991 22 Q HN 0.731 nan 8.270 nan 0.000 0.498 23 K N -0.779 119.696 120.400 0.126 0.000 2.443 23 K HA 0.187 4.507 4.320 -0.001 0.000 0.200 23 K C 0.222 176.865 176.600 0.073 0.000 1.278 23 K CA 0.191 56.531 56.287 0.087 0.000 0.925 23 K CB 0.818 33.364 32.500 0.077 0.000 1.225 23 K HN -0.036 nan 8.250 nan 0.000 0.514 24 T N 2.615 117.229 114.554 0.100 0.000 2.930 24 T HA 0.091 4.441 4.350 -0.001 0.000 0.306 24 T C 0.316 174.950 174.700 -0.110 0.000 1.045 24 T CA 0.126 62.209 62.100 -0.029 0.000 1.134 24 T CB 1.050 69.845 68.868 -0.121 0.000 0.961 24 T HN 0.285 nan 8.240 nan 0.000 0.545 25 T N -1.891 112.587 114.554 -0.127 0.000 2.930 25 T HA 0.425 4.774 4.350 -0.001 0.000 0.290 25 T C 1.632 176.233 174.700 -0.164 0.000 1.052 25 T CA -0.361 61.662 62.100 -0.128 0.000 1.017 25 T CB 1.368 70.203 68.868 -0.055 0.000 1.137 25 T HN 0.555 nan 8.240 nan 0.000 0.511 26 T N -1.819 112.640 114.554 -0.158 0.000 2.897 26 T HA 0.159 4.508 4.350 -0.001 0.000 0.271 26 T C 1.848 176.515 174.700 -0.055 0.000 1.084 26 T CA 1.207 63.222 62.100 -0.141 0.000 1.123 26 T CB -1.203 67.579 68.868 -0.144 0.000 0.865 26 T HN 2.161 nan 8.240 nan 0.000 0.496 27 G N 0.842 109.632 108.800 -0.018 0.000 2.147 27 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.244 27 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.244 27 G C 0.527 175.521 174.900 0.157 0.000 1.005 27 G CA 0.322 45.451 45.100 0.049 0.000 0.713 27 G HN 0.570 nan 8.290 nan 0.000 0.515 28 L N 0.399 121.681 121.223 0.098 0.000 2.554 28 L HA 0.098 4.437 4.340 -0.001 0.000 0.226 28 L C 2.481 179.457 176.870 0.177 0.000 1.137 28 L CA 1.241 56.170 54.840 0.149 0.000 0.863 28 L CB -0.005 42.072 42.059 0.030 0.000 0.985 28 L HN 0.538 nan 8.230 nan 0.000 0.451 29 E N -0.241 120.018 120.200 0.099 0.000 2.474 29 E HA -0.014 4.336 4.350 -0.001 0.000 0.195 29 E C 1.438 178.046 176.600 0.015 0.000 1.039 29 E CA 0.631 57.061 56.400 0.051 0.000 0.881 29 E CB 0.168 29.878 29.700 0.017 0.000 0.970 29 E HN 0.224 nan 8.360 nan 0.000 0.486 30 G N 0.407 109.212 108.800 0.009 0.000 3.124 30 G HA2 0.173 4.133 3.960 -0.001 0.000 0.212 30 G HA3 0.173 4.133 3.960 -0.001 0.000 0.212 30 G C -0.423 174.203 174.900 -0.458 0.000 1.181 30 G CA -0.213 44.746 45.100 -0.235 0.000 0.803 30 G HN 0.096 nan 8.290 nan 0.000 0.529 31 F N -0.608 119.330 119.950 -0.020 0.000 2.557 31 F HA 0.485 5.011 4.527 -0.000 0.000 0.316 31 F C 0.139 175.931 175.800 -0.014 0.000 1.141 31 F CA -1.159 56.831 58.000 -0.017 0.000 0.922 31 F CB 2.191 41.180 39.000 -0.019 0.000 1.194 31 F HN -0.243 nan 8.300 nan 0.000 0.443 32 R N 4.405 125.002 120.500 0.161 0.000 2.255 32 R HA 0.505 4.845 4.340 -0.001 0.000 0.326 32 R C -0.958 175.409 176.300 0.111 0.000 0.986 32 R CA -0.642 55.514 56.100 0.095 0.000 0.847 32 R CB 0.979 31.308 30.300 0.048 0.000 1.111 32 R HN 0.746 nan 8.270 nan 0.000 0.452 33 L N 5.058 126.331 121.223 0.083 0.000 2.462 33 L HA 0.168 4.507 4.340 -0.001 0.000 0.272 33 L C 0.798 177.716 176.870 0.080 0.000 1.166 33 L CA 0.195 55.076 54.840 0.069 0.000 0.880 33 L CB 0.508 42.596 42.059 0.049 0.000 1.142 33 L HN 0.447 nan 8.230 nan 0.000 0.473 34 R N 4.040 124.583 120.500 0.071 0.000 2.612 34 R HA 0.062 4.402 4.340 -0.001 0.000 0.273 34 R C -0.673 175.673 176.300 0.076 0.000 1.376 34 R CA -0.484 55.655 56.100 0.064 0.000 1.171 34 R CB -0.036 30.284 30.300 0.033 0.000 1.151 34 R HN 0.345 nan 8.270 nan 0.000 0.560 35 Y N 2.831 123.110 120.300 -0.036 0.000 2.620 35 Y HA -0.081 4.469 4.550 -0.001 0.000 0.330 35 Y C -0.203 175.651 175.900 -0.076 0.000 1.186 35 Y CA 0.130 58.194 58.100 -0.061 0.000 1.467 35 Y CB 0.733 39.160 38.460 -0.054 0.000 1.262 35 Y HN 0.320 nan 8.280 nan 0.000 0.550 36 Q N 6.314 125.732 119.800 -0.637 0.000 2.523 36 Q HA 0.404 4.744 4.340 -0.001 0.000 0.251 36 Q C 0.704 176.216 176.000 -0.814 0.000 1.033 36 Q CA 0.102 55.524 55.803 -0.634 0.000 0.746 36 Q CB 1.361 29.905 28.738 -0.322 0.000 1.189 36 Q HN 0.938 nan 8.270 nan 0.000 0.508 37 A N 2.329 124.583 122.820 -0.943 0.000 1.972 37 A HA -0.071 4.248 4.320 -0.001 0.000 0.219 37 A C 1.112 178.514 177.584 -0.303 0.000 1.169 37 A CA 1.168 52.857 52.037 -0.580 0.000 0.635 37 A CB 0.033 18.834 19.000 -0.332 0.000 0.810 37 A HN 0.591 nan 8.150 nan 0.000 0.446 38 L N -1.156 119.917 121.223 -0.250 0.000 3.094 38 L HA 0.352 4.691 4.340 -0.001 0.000 0.254 38 L C 1.754 178.536 176.870 -0.146 0.000 1.298 38 L CA 0.132 54.881 54.840 -0.152 0.000 1.050 38 L CB 0.193 42.191 42.059 -0.102 0.000 1.420 38 L HN 0.262 nan 8.230 nan 0.000 0.548 39 A N 0.333 123.034 122.820 -0.198 0.000 2.070 39 A HA 0.114 4.434 4.320 -0.001 0.000 0.220 39 A C 1.927 179.454 177.584 -0.095 0.000 1.159 39 A CA 1.069 53.010 52.037 -0.160 0.000 0.656 39 A CB -0.466 18.402 19.000 -0.220 0.000 0.800 39 A HN 0.692 nan 8.150 nan 0.000 0.453 40 G N -1.490 107.260 108.800 -0.083 0.000 2.198 40 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.257 40 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.257 40 G C -0.093 174.819 174.900 0.019 0.000 1.042 40 G CA 0.594 45.679 45.100 -0.025 0.000 0.791 40 G HN 1.473 nan 8.290 nan 0.000 0.502 41 L N -2.905 118.351 121.223 0.055 0.000 2.301 41 L HA 1.037 5.377 4.340 -0.001 0.000 0.264 41 L C 0.338 177.371 176.870 0.272 0.000 1.016 41 L CA -1.305 53.619 54.840 0.141 0.000 0.821 41 L CB 1.222 43.356 42.059 0.126 0.000 1.346 41 L HN 0.819 nan 8.230 nan 0.000 0.429 42 A N 1.105 124.031 122.820 0.177 0.000 2.362 42 A HA 0.468 4.788 4.320 -0.001 0.000 0.276 42 A C 0.955 178.560 177.584 0.035 0.000 1.153 42 A CA -0.374 51.727 52.037 0.107 0.000 0.813 42 A CB 0.187 19.211 19.000 0.040 0.000 1.081 42 A HN 0.942 nan 8.150 nan 0.000 0.507 43 L N 4.018 125.076 121.223 -0.276 0.000 1.989 43 L HA -0.170 4.170 4.340 -0.001 0.000 0.211 43 L C 2.603 179.317 176.870 -0.261 0.000 1.071 43 L CA 2.922 57.364 54.840 -0.664 0.000 0.749 43 L CB -1.000 40.429 42.059 -1.051 0.000 0.890 43 L HN 0.848 nan 8.230 nan 0.000 0.431 44 S N -0.251 115.338 115.700 -0.185 0.000 2.443 44 S HA -0.306 4.163 4.470 -0.001 0.000 0.246 44 S C 1.579 176.147 174.600 -0.054 0.000 1.058 44 S CA 1.955 60.097 58.200 -0.097 0.000 1.028 44 S CB -0.597 62.565 63.200 -0.063 0.000 0.821 44 S HN 0.827 nan 8.310 nan 0.000 0.484 45 E N 0.113 120.295 120.200 -0.029 0.000 2.538 45 E HA 0.300 4.650 4.350 -0.001 0.000 0.207 45 E C 0.248 176.862 176.600 0.022 0.000 1.002 45 E CA -0.124 56.280 56.400 0.005 0.000 0.952 45 E CB 0.422 30.136 29.700 0.023 0.000 1.031 45 E HN 0.361 nan 8.360 nan 0.000 0.476 46 V N 1.469 121.394 119.914 0.017 0.000 2.427 46 V HA 0.212 4.331 4.120 -0.001 0.000 0.268 46 V C -0.912 175.195 176.094 0.022 0.000 1.046 46 V CA -0.338 61.987 62.300 0.041 0.000 0.970 46 V CB 1.141 33.017 31.823 0.087 0.000 1.001 46 V HN 0.165 nan 8.190 nan 0.000 0.476 47 D N 5.331 125.750 120.400 0.031 0.000 2.485 47 D HA 0.299 4.939 4.640 -0.001 0.000 0.229 47 D C 1.048 177.369 176.300 0.035 0.000 1.101 47 D CA -0.257 53.759 54.000 0.027 0.000 0.906 47 D CB 0.919 41.735 40.800 0.026 0.000 1.019 47 D HN 0.622 nan 8.370 nan 0.000 0.516 48 L N 1.414 122.659 121.223 0.036 0.000 2.261 48 L HA -0.075 4.265 4.340 -0.001 0.000 0.216 48 L C 0.956 177.856 176.870 0.050 0.000 1.114 48 L CA 0.702 55.571 54.840 0.049 0.000 0.777 48 L CB -0.692 41.400 42.059 0.054 0.000 0.910 48 L HN 0.304 nan 8.230 nan 0.000 0.440 49 T N 1.517 116.097 114.554 0.042 0.000 2.709 49 T HA 0.020 4.369 4.350 -0.001 0.000 0.269 49 T C 0.369 175.099 174.700 0.050 0.000 1.008 49 T CA 0.513 62.639 62.100 0.045 0.000 1.194 49 T CB -0.210 68.680 68.868 0.037 0.000 0.986 49 T HN 0.357 nan 8.240 nan 0.000 0.508 50 T N 3.495 118.086 114.554 0.061 0.000 2.928 50 T HA 0.536 4.885 4.350 -0.001 0.000 0.296 50 T C -3.092 171.667 174.700 0.099 0.000 1.000 50 T CA -2.011 60.128 62.100 0.066 0.000 0.989 50 T CB 2.175 71.066 68.868 0.038 0.000 1.005 50 T HN 0.185 nan 8.240 nan 0.000 0.442 51 P HA 0.467 nan 4.420 nan 0.000 0.287 51 P C -1.356 176.082 177.300 0.231 0.000 1.307 51 P CA -0.465 62.714 63.100 0.131 0.000 0.777 51 P CB 0.302 32.056 31.700 0.090 0.000 0.883 52 F N 5.614 125.583 119.950 0.031 0.000 2.529 52 F HA 0.375 4.902 4.527 -0.000 0.000 0.320 52 F C 0.221 176.037 175.800 0.025 0.000 1.118 52 F CA -1.619 56.399 58.000 0.030 0.000 0.915 52 F CB 1.040 40.060 39.000 0.034 0.000 1.161 52 F HN 0.170 nan 8.300 nan 0.000 0.445 53 L N 6.753 127.799 121.223 -0.295 0.000 3.746 53 L HA -0.238 4.102 4.340 -0.001 0.000 0.542 53 L C 1.260 178.036 176.870 -0.156 0.000 1.268 53 L CA 0.832 55.449 54.840 -0.371 0.000 0.818 53 L CB -1.638 40.023 42.059 -0.665 0.000 1.472 53 L HN 1.152 nan 8.230 nan 0.000 0.843 54 G N -0.835 107.929 108.800 -0.059 0.000 2.366 54 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.263 54 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.263 54 G C 0.837 175.732 174.900 -0.008 0.000 0.986 54 G CA 1.411 46.496 45.100 -0.024 0.000 0.632 54 G HN 0.528 nan 8.290 nan 0.000 0.555 55 K N -0.783 119.611 120.400 -0.009 0.000 2.760 55 K HA 0.630 4.950 4.320 -0.001 0.000 0.285 55 K C -0.345 176.289 176.600 0.057 0.000 1.016 55 K CA -0.070 56.229 56.287 0.020 0.000 1.087 55 K CB 0.709 33.217 32.500 0.014 0.000 1.427 55 K HN 0.051 nan 8.250 nan 0.000 0.524 56 T N 1.007 115.599 114.554 0.064 0.000 2.991 56 T HA 0.441 4.791 4.350 -0.001 0.000 0.303 56 T C -1.335 173.414 174.700 0.082 0.000 1.015 56 T CA -0.620 61.526 62.100 0.075 0.000 1.007 56 T CB 0.732 69.631 68.868 0.052 0.000 1.034 56 T HN 0.183 nan 8.240 nan 0.000 0.446 57 L N 3.125 124.409 121.223 0.101 0.000 2.334 57 L HA 0.579 4.919 4.340 -0.001 0.000 0.272 57 L C 1.638 178.550 176.870 0.070 0.000 1.020 57 L CA -0.657 54.239 54.840 0.094 0.000 0.812 57 L CB 1.128 43.265 42.059 0.130 0.000 1.264 57 L HN 0.482 nan 8.230 nan 0.000 0.439 58 K N 0.962 121.396 120.400 0.056 0.000 2.025 58 K HA 0.077 4.396 4.320 -0.001 0.000 0.207 58 K C 0.431 177.060 176.600 0.048 0.000 1.049 58 K CA 1.273 57.584 56.287 0.039 0.000 0.933 58 K CB 0.005 32.517 32.500 0.019 0.000 0.714 58 K HN 0.713 nan 8.250 nan 0.000 0.438 59 A N 1.537 124.396 122.820 0.065 0.000 2.288 59 A HA 0.362 4.682 4.320 -0.001 0.000 0.328 59 A C -2.422 175.237 177.584 0.127 0.000 1.123 59 A CA -1.523 50.575 52.037 0.101 0.000 0.861 59 A CB 0.599 19.668 19.000 0.116 0.000 1.272 59 A HN -0.054 nan 8.150 nan 0.000 0.490 60 P HA 0.290 nan 4.420 nan 0.000 0.214 60 P C -1.127 176.235 177.300 0.103 0.000 1.826 60 P CA 0.493 63.632 63.100 0.066 0.000 0.977 60 P CB -0.705 31.014 31.700 0.031 0.000 1.930 61 F N 1.856 121.784 119.950 -0.036 0.000 2.599 61 F HA 0.612 5.139 4.527 -0.001 0.000 0.311 61 F C -1.682 174.105 175.800 -0.022 0.000 1.076 61 F CA -1.210 56.771 58.000 -0.032 0.000 0.937 61 F CB 1.834 40.832 39.000 -0.003 0.000 1.282 61 F HN -0.209 nan 8.300 nan 0.000 0.460 62 L N 6.353 127.484 121.223 -0.153 0.000 2.470 62 L HA 0.488 4.827 4.340 -0.001 0.000 0.268 62 L C -0.514 176.283 176.870 -0.122 0.000 0.964 62 L CA -1.085 53.817 54.840 0.103 0.000 0.839 62 L CB 1.820 43.912 42.059 0.054 0.000 1.276 62 L HN 0.474 nan 8.230 nan 0.000 0.403 63 I N 1.749 122.533 120.570 0.356 0.000 2.948 63 I HA 0.075 4.245 4.170 -0.001 0.000 0.303 63 I C 0.972 177.095 176.117 0.010 0.000 1.224 63 I CA 0.741 62.149 61.300 0.179 0.000 1.442 63 I CB -0.040 38.058 38.000 0.163 0.000 1.328 63 I HN 0.819 nan 8.210 nan 0.000 0.578 64 G N 3.432 112.211 108.800 -0.036 0.000 2.685 64 G HA2 0.643 4.602 3.960 -0.001 0.000 0.298 64 G HA3 0.643 4.602 3.960 -0.001 0.000 0.298 64 G C -0.586 174.284 174.900 -0.050 0.000 1.277 64 G CA -0.693 44.376 45.100 -0.052 0.000 0.986 64 G HN 0.895 nan 8.290 nan 0.000 0.487 65 A N -0.161 122.608 122.820 -0.085 0.000 2.566 65 A HA 0.495 4.815 4.320 -0.001 0.000 0.245 65 A C 0.352 177.886 177.584 -0.083 0.000 1.056 65 A CA 0.753 52.720 52.037 -0.117 0.000 0.757 65 A CB -0.208 18.667 19.000 -0.208 0.000 0.979 65 A HN 0.607 nan 8.150 nan 0.000 0.508 66 M N 1.064 120.636 119.600 -0.046 0.000 2.752 66 M HA 0.743 5.222 4.480 -0.001 0.000 0.285 66 M C 0.189 176.482 176.300 -0.011 0.000 1.140 66 M CA -0.304 54.985 55.300 -0.018 0.000 0.767 66 M CB 2.457 35.063 32.600 0.011 0.000 1.736 66 M HN 0.828 nan 8.290 nan 0.000 0.452 75 R N 1.797 122.271 120.500 -0.042 0.000 2.057 75 R HA 0.210 4.549 4.340 -0.001 0.000 0.224 75 R C 2.694 178.983 176.300 -0.018 0.000 1.136 75 R CA 1.153 57.236 56.100 -0.028 0.000 0.968 75 R CB -1.221 29.065 30.300 -0.023 0.000 0.863 75 R HN 0.158 nan 8.270 nan 0.000 0.433 76 I N 0.805 121.365 120.570 -0.017 0.000 2.091 76 I HA -0.379 3.790 4.170 -0.001 0.000 0.240 76 I C 2.017 178.134 176.117 -0.001 0.000 1.046 76 I CA 2.070 63.363 61.300 -0.013 0.000 1.306 76 I CB -0.938 37.054 38.000 -0.015 0.000 1.018 76 I HN 0.188 nan 8.210 nan 0.000 0.404 77 N N 0.604 119.310 118.700 0.009 0.000 2.242 77 N HA -0.202 4.538 4.740 -0.001 0.000 0.191 77 N C 1.730 177.261 175.510 0.035 0.000 1.005 77 N CA 1.897 54.972 53.050 0.041 0.000 0.877 77 N CB -0.172 38.346 38.487 0.051 0.000 0.983 77 N HN 0.543 nan 8.380 nan 0.000 0.439 78 L N -0.289 120.941 121.223 0.012 0.000 2.269 78 L HA 0.072 4.412 4.340 -0.001 0.000 0.200 78 L C 2.431 179.306 176.870 0.009 0.000 1.069 78 L CA 0.544 55.391 54.840 0.011 0.000 0.804 78 L CB -0.620 41.438 42.059 -0.001 0.000 0.987 78 L HN 0.004 nan 8.230 nan 0.000 0.468 79 A N 0.945 123.766 122.820 0.002 0.000 1.894 79 A HA -0.286 4.034 4.320 -0.001 0.000 0.220 79 A C 2.164 179.750 177.584 0.004 0.000 1.237 79 A CA 2.112 54.149 52.037 0.000 0.000 0.660 79 A CB -1.065 17.930 19.000 -0.007 0.000 0.835 79 A HN 0.395 nan 8.150 nan 0.000 0.461 80 L N -1.510 119.717 121.223 0.007 0.000 2.093 80 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 80 L C 3.048 179.931 176.870 0.022 0.000 1.085 80 L CA 1.096 55.944 54.840 0.013 0.000 0.755 80 L CB -0.572 41.496 42.059 0.015 0.000 0.904 80 L HN 0.492 nan 8.230 nan 0.000 0.435 81 A N -0.464 122.371 122.820 0.025 0.000 1.970 81 A HA -0.174 4.146 4.320 -0.001 0.000 0.216 81 A C 2.115 179.710 177.584 0.018 0.000 1.170 81 A CA 1.157 53.210 52.037 0.026 0.000 0.645 81 A CB -0.255 18.765 19.000 0.034 0.000 0.816 81 A HN 0.348 nan 8.150 nan 0.000 0.447 82 E N 0.219 120.427 120.200 0.014 0.000 2.012 82 E HA -0.155 4.195 4.350 -0.001 0.000 0.197 82 E C 2.211 178.815 176.600 0.006 0.000 1.007 82 E CA 1.665 58.070 56.400 0.009 0.000 0.816 82 E CB -0.376 29.327 29.700 0.006 0.000 0.762 82 E HN 0.503 nan 8.360 nan 0.000 0.451 83 A N 0.732 123.555 122.820 0.005 0.000 1.958 83 A HA -0.261 4.059 4.320 -0.001 0.000 0.221 83 A C 2.374 179.954 177.584 -0.007 0.000 1.178 83 A CA 2.398 54.433 52.037 -0.003 0.000 0.642 83 A CB -1.102 17.898 19.000 -0.001 0.000 0.816 83 A HN 0.414 nan 8.150 nan 0.000 0.453 84 A N -0.984 121.841 122.820 0.009 0.000 1.902 84 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 84 A C 2.063 179.655 177.584 0.014 0.000 1.181 84 A CA 1.682 53.731 52.037 0.019 0.000 0.623 84 A CB -0.409 18.614 19.000 0.038 0.000 0.818 84 A HN 0.509 nan 8.150 nan 0.000 0.443 85 E N -0.212 119.995 120.200 0.011 0.000 2.028 85 E HA -0.116 4.234 4.350 -0.001 0.000 0.191 85 E C 2.369 178.972 176.600 0.004 0.000 0.988 85 E CA 1.142 57.547 56.400 0.009 0.000 0.799 85 E CB -0.506 29.199 29.700 0.008 0.000 0.755 85 E HN 0.511 nan 8.360 nan 0.000 0.447 86 A N 0.551 123.370 122.820 -0.000 0.000 2.093 86 A HA -0.167 4.152 4.320 -0.001 0.000 0.222 86 A C 2.111 179.689 177.584 -0.011 0.000 1.162 86 A CA 1.261 53.295 52.037 -0.005 0.000 0.655 86 A CB -0.258 18.739 19.000 -0.006 0.000 0.805 86 A HN 0.244 nan 8.150 nan 0.000 0.461 87 L N -3.804 117.410 121.223 -0.016 0.000 2.766 87 L HA 0.320 4.659 4.340 -0.001 0.000 0.241 87 L C 1.501 178.357 176.870 -0.023 0.000 1.080 87 L CA 0.657 55.477 54.840 -0.033 0.000 0.909 87 L CB 0.563 42.581 42.059 -0.068 0.000 1.277 87 L HN 0.541 nan 8.230 nan 0.000 0.510 88 G N 1.085 109.885 108.800 -0.001 0.000 2.132 88 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.234 88 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.234 88 G C 0.128 175.054 174.900 0.042 0.000 0.989 88 G CA 0.260 45.372 45.100 0.020 0.000 0.676 88 G HN 0.264 nan 8.290 nan 0.000 0.522 89 V N -1.830 118.106 119.914 0.037 0.000 3.302 89 V HA 1.032 5.151 4.120 -0.001 0.000 0.316 89 V C 0.952 177.125 176.094 0.133 0.000 1.111 89 V CA -0.262 62.096 62.300 0.097 0.000 1.029 89 V CB 1.560 33.403 31.823 0.034 0.000 1.170 89 V HN 1.220 nan 8.190 nan 0.000 0.452 90 G N 0.047 108.975 108.800 0.215 0.000 2.461 90 G HA2 0.662 4.622 3.960 -0.001 0.000 0.329 90 G HA3 0.662 4.622 3.960 -0.001 0.000 0.329 90 G C -0.986 174.004 174.900 0.149 0.000 1.170 90 G CA -0.881 44.328 45.100 0.183 0.000 0.935 90 G HN 0.782 nan 8.290 nan 0.000 0.492 91 M N 1.387 121.036 119.600 0.082 0.000 2.183 91 M HA 0.322 4.802 4.480 -0.001 0.000 0.277 91 M C -1.068 175.221 176.300 -0.019 0.000 0.995 91 M CA -0.683 54.640 55.300 0.038 0.000 0.969 91 M CB 2.120 34.732 32.600 0.020 0.000 1.659 91 M HN 0.459 nan 8.290 nan 0.000 0.462 92 M N 4.421 124.003 119.600 -0.029 0.000 2.251 92 M HA 0.220 4.699 4.480 -0.001 0.000 0.346 92 M C -0.692 175.533 176.300 -0.124 0.000 1.499 92 M CA -0.061 55.185 55.300 -0.090 0.000 1.128 92 M CB 0.142 32.695 32.600 -0.078 0.000 1.809 92 M HN 0.402 nan 8.290 nan 0.000 0.464 93 L N 3.714 124.805 121.223 -0.219 0.000 2.456 93 L HA 0.281 4.621 4.340 -0.001 0.000 0.272 93 L C 1.149 177.870 176.870 -0.248 0.000 1.189 93 L CA 0.324 54.984 54.840 -0.299 0.000 0.846 93 L CB -0.198 41.432 42.059 -0.717 0.000 1.111 93 L HN 0.800 nan 8.230 nan 0.000 0.475 94 G N 1.918 110.666 108.800 -0.086 0.000 2.690 94 G HA2 0.068 4.027 3.960 -0.001 0.000 0.239 94 G HA3 0.068 4.027 3.960 -0.001 0.000 0.239 94 G C 0.232 175.093 174.900 -0.066 0.000 1.233 94 G CA -0.326 44.739 45.100 -0.058 0.000 0.847 94 G HN 0.686 nan 8.290 nan 0.000 0.588 95 S N -0.711 114.930 115.700 -0.099 0.000 2.546 95 S HA 0.290 4.759 4.470 -0.001 0.000 0.290 95 S C 1.340 175.966 174.600 0.043 0.000 1.290 95 S CA 0.254 58.406 58.200 -0.079 0.000 1.069 95 S CB 0.392 63.551 63.200 -0.068 0.000 0.846 95 S HN 1.095 nan 8.310 nan 0.000 0.495 96 G N 4.920 113.707 108.800 -0.022 0.000 3.702 96 G HA2 0.087 4.046 3.960 -0.001 0.000 0.288 96 G HA3 0.087 4.046 3.960 -0.001 0.000 0.288 96 G C 1.216 176.087 174.900 -0.048 0.000 1.193 96 G CA -0.475 44.669 45.100 0.074 0.000 0.952 96 G HN 0.691 nan 8.290 nan 0.000 0.544 97 R N 0.296 120.760 120.500 -0.059 0.000 2.143 97 R HA -0.200 4.140 4.340 -0.001 0.000 0.239 97 R C 2.302 178.583 176.300 -0.032 0.000 1.126 97 R CA 1.927 57.981 56.100 -0.076 0.000 0.927 97 R CB -0.401 29.892 30.300 -0.012 0.000 0.860 97 R HN 0.430 nan 8.270 nan 0.000 0.433 98 I N 1.368 121.942 120.570 0.007 0.000 2.091 98 I HA -0.342 3.828 4.170 -0.001 0.000 0.239 98 I C 2.618 178.742 176.117 0.011 0.000 1.061 98 I CA 1.363 62.670 61.300 0.011 0.000 1.317 98 I CB -0.882 37.114 38.000 -0.008 0.000 1.031 98 I HN 0.194 nan 8.210 nan 0.000 0.401 99 L N -0.206 121.034 121.223 0.029 0.000 2.011 99 L HA -0.326 4.014 4.340 -0.001 0.000 0.225 99 L C 2.678 179.551 176.870 0.004 0.000 1.084 99 L CA 2.036 56.896 54.840 0.034 0.000 0.791 99 L CB -0.787 41.331 42.059 0.098 0.000 0.898 99 L HN 0.347 nan 8.230 nan 0.000 0.440 100 L N -0.797 120.397 121.223 -0.050 0.000 2.017 100 L HA -0.241 4.099 4.340 -0.001 0.000 0.208 100 L C 2.592 179.510 176.870 0.080 0.000 1.073 100 L CA 1.340 56.144 54.840 -0.059 0.000 0.745 100 L CB -0.492 41.333 42.059 -0.389 0.000 0.894 100 L HN 0.347 nan 8.230 nan 0.000 0.432 101 E N 0.256 120.509 120.200 0.088 0.000 2.013 101 E HA -0.191 4.159 4.350 -0.001 0.000 0.202 101 E C 0.692 177.332 176.600 0.067 0.000 1.018 101 E CA 1.220 57.686 56.400 0.110 0.000 0.834 101 E CB -0.044 29.706 29.700 0.084 0.000 0.770 101 E HN 0.420 nan 8.360 nan 0.000 0.459 102 R N 0.980 121.503 120.500 0.038 0.000 2.575 102 R HA 0.163 4.503 4.340 -0.001 0.000 0.281 102 R C -2.105 174.203 176.300 0.014 0.000 1.272 102 R CA -1.381 54.732 56.100 0.022 0.000 1.417 102 R CB 0.966 31.271 30.300 0.008 0.000 1.121 102 R HN 0.106 nan 8.270 nan 0.000 0.583 103 P HA -0.253 nan 4.420 nan 0.000 0.215 103 P C 1.365 178.668 177.300 0.005 0.000 1.157 103 P CA 1.068 64.177 63.100 0.016 0.000 0.863 103 P CB 0.189 31.903 31.700 0.023 0.000 0.787 104 E N 1.423 121.625 120.200 0.003 0.000 2.110 104 E HA -0.349 4.000 4.350 -0.001 0.000 0.225 104 E C 1.920 178.510 176.600 -0.017 0.000 1.063 104 E CA 2.507 58.904 56.400 -0.005 0.000 0.906 104 E CB -1.617 28.080 29.700 -0.005 0.000 0.795 104 E HN 0.147 nan 8.360 nan 0.000 0.479 105 A N 2.200 125.006 122.820 -0.023 0.000 2.067 105 A HA -0.216 4.104 4.320 -0.001 0.000 0.224 105 A C 2.472 180.015 177.584 -0.069 0.000 1.172 105 A CA 1.887 53.896 52.037 -0.046 0.000 0.662 105 A CB -1.333 17.640 19.000 -0.045 0.000 0.814 105 A HN 0.514 nan 8.150 nan 0.000 0.468 106 L N -1.132 120.066 121.223 -0.041 0.000 2.754 106 L HA -0.265 4.075 4.340 -0.001 0.000 0.226 106 L C 2.091 178.937 176.870 -0.040 0.000 1.185 106 L CA 1.486 56.312 54.840 -0.022 0.000 0.805 106 L CB -0.232 41.830 42.059 0.005 0.000 0.922 106 L HN 0.514 nan 8.230 nan 0.000 0.451 107 R N -0.733 119.724 120.500 -0.073 0.000 2.449 107 R HA 0.014 4.354 4.340 -0.001 0.000 0.262 107 R C 1.614 177.844 176.300 -0.116 0.000 1.006 107 R CA 0.766 56.825 56.100 -0.068 0.000 1.104 107 R CB 0.148 30.417 30.300 -0.051 0.000 1.206 107 R HN 0.557 nan 8.270 nan 0.000 0.538 108 S N -0.846 114.723 115.700 -0.218 0.000 2.527 108 S HA 0.052 4.522 4.470 -0.001 0.000 0.225 108 S C 1.308 175.763 174.600 -0.241 0.000 1.046 108 S CA -0.074 57.922 58.200 -0.339 0.000 0.929 108 S CB -0.453 62.334 63.200 -0.688 0.000 0.851 108 S HN 0.319 nan 8.310 nan 0.000 0.565 109 F N 2.565 122.488 119.950 -0.045 0.000 2.738 109 F HA 0.268 4.795 4.527 -0.001 0.000 0.301 109 F C 2.206 177.981 175.800 -0.043 0.000 1.269 109 F CA -0.627 57.343 58.000 -0.051 0.000 1.441 109 F CB -0.119 38.841 39.000 -0.067 0.000 1.101 109 F HN 0.056 nan 8.300 nan 0.000 0.545 110 R N 0.468 121.012 120.500 0.074 0.000 2.133 110 R HA -0.208 4.132 4.340 -0.001 0.000 0.245 110 R C 2.256 178.587 176.300 0.051 0.000 1.137 110 R CA 1.210 57.332 56.100 0.037 0.000 0.947 110 R CB -1.253 29.048 30.300 0.001 0.000 0.865 110 R HN 0.238 nan 8.270 nan 0.000 0.437 111 V N 0.707 120.661 119.914 0.067 0.000 2.553 111 V HA -0.487 3.632 4.120 -0.001 0.000 0.200 111 V C 2.364 178.484 176.094 0.044 0.000 1.007 111 V CA 2.786 65.131 62.300 0.075 0.000 1.075 111 V CB -0.681 31.232 31.823 0.150 0.000 1.080 111 V HN 0.353 nan 8.190 nan 0.000 0.480 112 R N -0.235 120.288 120.500 0.039 0.000 2.267 112 R HA -0.197 4.143 4.340 -0.001 0.000 0.259 112 R C 2.112 178.420 176.300 0.013 0.000 1.192 112 R CA 1.965 58.075 56.100 0.016 0.000 1.013 112 R CB -0.651 29.654 30.300 0.009 0.000 0.877 112 R HN 0.678 nan 8.270 nan 0.000 0.474 113 K N -0.408 120.002 120.400 0.017 0.000 2.031 113 K HA -0.034 4.286 4.320 -0.001 0.000 0.205 113 K C 1.712 178.318 176.600 0.010 0.000 1.049 113 K CA 1.506 57.799 56.287 0.011 0.000 0.939 113 K CB -0.022 32.484 32.500 0.009 0.000 0.717 113 K HN 0.175 nan 8.250 nan 0.000 0.438 114 V N -1.397 118.525 119.914 0.013 0.000 3.510 114 V HA 0.178 4.298 4.120 -0.001 0.000 0.270 114 V C 0.725 176.825 176.094 0.011 0.000 1.201 114 V CA 0.604 62.910 62.300 0.010 0.000 1.166 114 V CB -0.461 31.369 31.823 0.010 0.000 0.825 114 V HN 0.181 nan 8.190 nan 0.000 0.484 115 A N -0.284 122.542 122.820 0.011 0.000 3.422 115 A HA 0.647 4.966 4.320 -0.001 0.000 0.271 115 A C -1.759 175.828 177.584 0.006 0.000 1.104 115 A CA -0.629 51.414 52.037 0.009 0.000 0.899 115 A CB 0.576 19.583 19.000 0.012 0.000 1.309 115 A HN 0.268 nan 8.150 nan 0.000 0.580 116 P HA -0.201 nan 4.420 nan 0.000 0.213 116 P C 1.094 178.395 177.300 0.002 0.000 1.170 116 P CA 1.737 64.838 63.100 0.003 0.000 0.902 116 P CB 0.225 31.927 31.700 0.004 0.000 0.789 117 K N -1.715 118.687 120.400 0.004 0.000 2.358 117 K HA 0.385 4.705 4.320 -0.001 0.000 0.197 117 K C 1.091 177.695 176.600 0.007 0.000 1.025 117 K CA -0.045 56.245 56.287 0.005 0.000 1.104 117 K CB 0.210 32.714 32.500 0.007 0.000 0.855 117 K HN 0.038 nan 8.250 nan 0.000 0.531 118 A N 1.824 124.649 122.820 0.008 0.000 2.339 118 A HA 0.124 4.443 4.320 -0.001 0.000 0.272 118 A C 0.017 177.606 177.584 0.009 0.000 1.182 118 A CA -0.157 51.889 52.037 0.014 0.000 0.819 118 A CB 0.055 19.065 19.000 0.016 0.000 1.115 118 A HN 0.235 nan 8.150 nan 0.000 0.512 119 L N 0.720 121.955 121.223 0.020 0.000 2.321 119 L HA 0.407 4.747 4.340 -0.001 0.000 0.272 119 L C -0.743 176.117 176.870 -0.017 0.000 1.050 119 L CA 0.053 54.898 54.840 0.007 0.000 0.893 119 L CB -0.253 41.837 42.059 0.052 0.000 1.272 119 L HN 0.475 nan 8.230 nan 0.000 0.435 120 L N 5.785 126.975 121.223 -0.055 0.000 2.276 120 L HA 0.465 4.804 4.340 -0.001 0.000 0.286 120 L C -0.183 176.599 176.870 -0.147 0.000 1.061 120 L CA -0.392 54.390 54.840 -0.097 0.000 0.807 120 L CB 1.135 43.127 42.059 -0.112 0.000 1.177 120 L HN 0.430 nan 8.230 nan 0.000 0.429 121 I N 2.568 123.041 120.570 -0.162 0.000 2.354 121 I HA 0.478 4.648 4.170 -0.001 0.000 0.292 121 I C 0.373 176.320 176.117 -0.283 0.000 0.989 121 I CA -0.538 60.640 61.300 -0.202 0.000 1.188 121 I CB 1.799 39.713 38.000 -0.143 0.000 1.342 121 I HN 0.600 nan 8.210 nan 0.000 0.457 122 A N 6.251 128.859 122.820 -0.353 0.000 2.331 122 A HA 0.393 4.713 4.320 -0.001 0.000 0.283 122 A C -0.317 177.026 177.584 -0.402 0.000 1.142 122 A CA -0.516 51.257 52.037 -0.441 0.000 0.812 122 A CB 0.531 19.225 19.000 -0.511 0.000 1.074 122 A HN 0.846 nan 8.150 nan 0.000 0.497 123 N N 1.784 120.252 118.700 -0.386 0.000 2.361 123 N HA 0.615 5.354 4.740 -0.001 0.000 0.302 123 N C -0.235 175.145 175.510 -0.216 0.000 1.074 123 N CA -0.416 52.463 53.050 -0.284 0.000 0.850 123 N CB 1.681 40.007 38.487 -0.267 0.000 1.228 123 N HN 0.677 nan 8.380 nan 0.000 0.491 124 L N 1.067 122.245 121.223 -0.074 0.000 2.195 124 L HA 0.264 4.604 4.340 -0.001 0.000 0.222 124 L C -0.066 176.927 176.870 0.205 0.000 1.132 124 L CA 0.452 55.305 54.840 0.021 0.000 1.159 124 L CB 0.449 42.436 42.059 -0.120 0.000 2.382 124 L HN 0.806 nan 8.230 nan 0.000 0.523 125 G N 1.348 110.268 108.800 0.201 0.000 3.380 125 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.685 125 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.685 125 G C -0.008 174.870 174.900 -0.037 0.000 1.136 125 G CA 0.011 44.860 45.100 -0.417 0.000 1.011 125 G HN 0.121 nan 8.290 nan 0.000 0.471 126 L N 2.534 123.741 121.223 -0.027 0.000 2.034 126 L HA -0.049 4.290 4.340 -0.001 0.000 0.217 126 L C 3.067 179.820 176.870 -0.196 0.000 1.077 126 L CA 3.768 58.544 54.840 -0.107 0.000 0.769 126 L CB -0.735 41.293 42.059 -0.052 0.000 0.890 126 L HN 1.503 nan 8.230 nan 0.000 0.435 127 A N -1.646 121.004 122.820 -0.284 0.000 1.986 127 A HA -0.271 4.049 4.320 -0.001 0.000 0.220 127 A C 2.090 179.562 177.584 -0.186 0.000 1.171 127 A CA 1.697 53.494 52.037 -0.400 0.000 0.640 127 A CB -0.554 18.059 19.000 -0.645 0.000 0.811 127 A HN 0.613 nan 8.150 nan 0.000 0.451 128 Q N -0.214 119.551 119.800 -0.058 0.000 2.234 128 Q HA -0.089 4.251 4.340 -0.001 0.000 0.206 128 Q C 1.843 177.938 176.000 0.159 0.000 0.980 128 Q CA 0.839 56.707 55.803 0.109 0.000 0.869 128 Q CB -0.630 28.197 28.738 0.149 0.000 0.912 128 Q HN 0.745 nan 8.270 nan 0.000 0.436 129 L N 0.555 121.804 121.223 0.044 0.000 2.651 129 L HA -0.160 4.179 4.340 -0.001 0.000 0.236 129 L C 1.757 178.606 176.870 -0.035 0.000 1.173 129 L CA 0.742 55.582 54.840 -0.001 0.000 0.843 129 L CB -0.241 41.719 42.059 -0.165 0.000 0.964 129 L HN 0.178 nan 8.230 nan 0.000 0.454 130 R N -0.226 120.242 120.500 -0.054 0.000 2.313 130 R HA 0.005 4.345 4.340 -0.001 0.000 0.199 130 R C 1.348 177.597 176.300 -0.084 0.000 0.958 130 R CA 0.382 56.435 56.100 -0.078 0.000 1.047 130 R CB 0.156 30.395 30.300 -0.101 0.000 0.955 130 R HN 0.428 nan 8.270 nan 0.000 0.481 131 R N -2.195 118.255 120.500 -0.083 0.000 2.676 131 R HA 0.185 4.525 4.340 -0.001 0.000 0.241 131 R C -0.408 175.613 176.300 -0.464 0.000 0.964 131 R CA 0.083 56.012 56.100 -0.285 0.000 1.054 131 R CB 0.589 30.686 30.300 -0.338 0.000 1.603 131 R HN -0.006 nan 8.270 nan 0.000 0.577 132 Y N -0.132 120.171 120.300 0.004 0.000 2.598 132 Y HA 0.748 5.297 4.550 -0.001 0.000 0.340 132 Y C 0.655 176.575 175.900 0.033 0.000 1.038 132 Y CA -1.021 57.095 58.100 0.027 0.000 1.100 132 Y CB 2.138 40.627 38.460 0.049 0.000 1.281 132 Y HN -0.014 nan 8.280 nan 0.000 0.488 133 G N 0.116 109.035 108.800 0.199 0.000 2.730 133 G HA2 0.437 4.397 3.960 -0.001 0.000 0.289 133 G HA3 0.437 4.397 3.960 -0.001 0.000 0.289 133 G C 0.089 175.075 174.900 0.143 0.000 1.341 133 G CA -0.905 44.266 45.100 0.119 0.000 0.932 133 G HN 0.629 nan 8.290 nan 0.000 0.481 134 R N 0.161 120.726 120.500 0.109 0.000 2.227 134 R HA -0.244 4.096 4.340 -0.001 0.000 0.246 134 R C 1.564 177.944 176.300 0.132 0.000 1.119 134 R CA 3.101 59.270 56.100 0.114 0.000 0.930 134 R CB -1.260 29.078 30.300 0.062 0.000 0.912 134 R HN 0.547 nan 8.270 nan 0.000 0.435 135 D N -0.278 120.183 120.400 0.102 0.000 2.149 135 D HA -0.131 4.508 4.640 -0.001 0.000 0.198 135 D C 1.377 177.745 176.300 0.114 0.000 0.990 135 D CA 1.790 55.848 54.000 0.096 0.000 0.839 135 D CB -0.144 40.698 40.800 0.071 0.000 0.948 135 D HN 0.447 nan 8.370 nan 0.000 0.460 136 D N -0.263 120.223 120.400 0.144 0.000 2.183 136 D HA -0.096 4.543 4.640 -0.001 0.000 0.203 136 D C 1.968 178.326 176.300 0.097 0.000 0.969 136 D CA 0.291 54.389 54.000 0.165 0.000 0.842 136 D CB 0.108 41.109 40.800 0.335 0.000 0.957 136 D HN 0.153 nan 8.370 nan 0.000 0.484 137 L N 1.323 122.627 121.223 0.134 0.000 1.976 137 L HA -0.128 4.212 4.340 -0.001 0.000 0.209 137 L C 2.638 179.555 176.870 0.079 0.000 1.071 137 L CA 1.316 56.225 54.840 0.116 0.000 0.746 137 L CB -1.347 40.878 42.059 0.278 0.000 0.890 137 L HN 0.055 nan 8.230 nan 0.000 0.432 138 L N -1.382 119.970 121.223 0.214 0.000 1.989 138 L HA -0.235 4.105 4.340 -0.001 0.000 0.211 138 L C 2.640 179.550 176.870 0.066 0.000 1.071 138 L CA 1.622 56.601 54.840 0.231 0.000 0.749 138 L CB -1.082 41.130 42.059 0.255 0.000 0.890 138 L HN 0.269 nan 8.230 nan 0.000 0.431 139 R N 0.665 121.199 120.500 0.057 0.000 2.134 139 R HA -0.260 4.079 4.340 -0.001 0.000 0.248 139 R C 2.413 178.695 176.300 -0.029 0.000 1.143 139 R CA 2.202 58.315 56.100 0.022 0.000 0.957 139 R CB -0.447 29.875 30.300 0.036 0.000 0.867 139 R HN 0.282 nan 8.270 nan 0.000 0.441 140 L N 0.491 121.672 121.223 -0.071 0.000 2.012 140 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 140 L C 2.180 178.923 176.870 -0.212 0.000 1.073 140 L CA 1.642 56.395 54.840 -0.145 0.000 0.748 140 L CB -0.468 41.465 42.059 -0.211 0.000 0.891 140 L HN 0.068 nan 8.230 nan 0.000 0.431 141 V N 0.027 119.767 119.914 -0.291 0.000 2.270 141 V HA -0.257 3.863 4.120 -0.001 0.000 0.245 141 V C 2.528 178.495 176.094 -0.211 0.000 1.043 141 V CA 2.059 64.111 62.300 -0.414 0.000 1.014 141 V CB -0.714 30.584 31.823 -0.875 0.000 0.645 141 V HN 0.512 nan 8.190 nan 0.000 0.447 142 E N -0.291 119.850 120.200 -0.099 0.000 2.023 142 E HA -0.312 4.038 4.350 -0.001 0.000 0.196 142 E C 2.212 178.787 176.600 -0.041 0.000 1.003 142 E CA 1.687 58.062 56.400 -0.042 0.000 0.809 142 E CB -0.379 29.320 29.700 -0.001 0.000 0.755 142 E HN 0.494 nan 8.360 nan 0.000 0.449 143 M N 0.387 119.965 119.600 -0.036 0.000 2.164 143 M HA -0.282 4.197 4.480 -0.001 0.000 0.251 143 M C 2.004 178.302 176.300 -0.003 0.000 1.087 143 M CA 1.662 56.955 55.300 -0.012 0.000 1.071 143 M CB 0.019 32.613 32.600 -0.010 0.000 1.347 143 M HN 0.127 nan 8.290 nan 0.000 0.399 144 L N -1.698 119.495 121.223 -0.049 0.000 2.445 144 L HA 0.130 4.470 4.340 -0.001 0.000 0.207 144 L C 0.324 177.152 176.870 -0.069 0.000 1.053 144 L CA 0.072 54.875 54.840 -0.061 0.000 0.841 144 L CB 0.412 42.351 42.059 -0.200 0.000 1.074 144 L HN 0.247 nan 8.230 nan 0.000 0.479 145 E N 0.162 120.307 120.200 -0.091 0.000 4.734 145 E HA -0.087 4.263 4.350 -0.001 0.000 0.167 145 E C -0.827 175.722 176.600 -0.085 0.000 1.498 145 E CA 0.239 56.599 56.400 -0.067 0.000 1.080 145 E CB -0.523 29.158 29.700 -0.030 0.000 1.040 145 E HN 0.419 nan 8.360 nan 0.000 0.357 146 A N 3.163 125.916 122.820 -0.112 0.000 2.567 146 A HA 0.395 4.715 4.320 -0.001 0.000 0.291 146 A C -0.298 177.201 177.584 -0.141 0.000 1.048 146 A CA -0.385 51.566 52.037 -0.143 0.000 0.661 146 A CB 1.307 20.174 19.000 -0.221 0.000 1.288 146 A HN 0.299 nan 8.150 nan 0.000 0.424 147 D N -0.266 120.056 120.400 -0.129 0.000 2.388 147 D HA 0.440 5.079 4.640 -0.001 0.000 0.208 147 D C 0.678 176.948 176.300 -0.051 0.000 1.035 147 D CA 1.540 55.497 54.000 -0.073 0.000 0.875 147 D CB 1.119 41.873 40.800 -0.078 0.000 0.984 147 D HN 0.936 nan 8.370 nan 0.000 0.508 148 A N 0.387 123.124 122.820 -0.138 0.000 2.581 148 A HA 0.585 4.905 4.320 -0.001 0.000 0.290 148 A C -2.077 175.332 177.584 -0.291 0.000 1.119 148 A CA -0.542 51.430 52.037 -0.108 0.000 0.670 148 A CB 1.708 20.647 19.000 -0.102 0.000 1.280 148 A HN 0.044 nan 8.150 nan 0.000 0.425 149 L N 0.624 121.703 121.223 -0.239 0.000 2.409 149 L HA 0.802 5.142 4.340 -0.001 0.000 0.272 149 L C -0.639 176.045 176.870 -0.311 0.000 0.980 149 L CA -0.352 54.238 54.840 -0.416 0.000 0.826 149 L CB 1.385 43.100 42.059 -0.574 0.000 1.268 149 L HN 1.229 nan 8.230 nan 0.000 0.407 150 A N 5.153 127.770 122.820 -0.338 0.000 2.310 150 A HA 0.608 4.928 4.320 -0.001 0.000 0.304 150 A C -1.142 176.310 177.584 -0.221 0.000 1.231 150 A CA -0.439 51.489 52.037 -0.181 0.000 0.799 150 A CB 0.307 19.259 19.000 -0.080 0.000 1.162 150 A HN 0.587 nan 8.150 nan 0.000 0.486 151 F N 4.649 124.627 119.950 0.047 0.000 2.471 151 F HA 0.200 4.726 4.527 -0.001 0.000 0.365 151 F C 1.405 177.264 175.800 0.098 0.000 1.095 151 F CA 0.130 58.163 58.000 0.055 0.000 1.174 151 F CB 0.651 39.666 39.000 0.025 0.000 1.105 151 F HN 0.643 nan 8.300 nan 0.000 0.535 152 H N 3.253 122.409 119.070 0.144 0.000 2.604 152 H HA 0.421 4.977 4.556 -0.001 0.000 0.306 152 H C -0.726 174.692 175.328 0.150 0.000 1.075 152 H CA -0.848 55.263 56.048 0.105 0.000 1.357 152 H CB 0.936 30.709 29.762 0.019 0.000 1.426 152 H HN 0.494 nan 8.280 nan 0.000 0.470 153 V N 4.629 124.617 119.914 0.123 0.000 2.539 153 V HA 0.316 4.435 4.120 -0.001 0.000 0.292 153 V C -0.434 175.754 176.094 0.156 0.000 1.045 153 V CA -0.505 61.887 62.300 0.154 0.000 0.945 153 V CB 1.102 33.029 31.823 0.173 0.000 0.993 153 V HN 1.048 nan 8.190 nan 0.000 0.464 154 N N 4.626 123.438 118.700 0.186 0.000 2.725 154 N HA 0.282 5.022 4.740 -0.001 0.000 0.225 154 N C -2.735 172.730 175.510 -0.075 0.000 1.465 154 N CA -0.924 52.176 53.050 0.083 0.000 0.830 154 N CB 1.024 39.617 38.487 0.177 0.000 1.460 154 N HN 0.336 nan 8.380 nan 0.000 0.538 155 P HA -0.144 nan 4.420 nan 0.000 0.216 155 P C 1.658 178.829 177.300 -0.215 0.000 1.153 155 P CA 0.647 63.373 63.100 -0.623 0.000 0.858 155 P CB 0.562 31.849 31.700 -0.688 0.000 0.789 156 L N -0.179 120.933 121.223 -0.185 0.000 2.095 156 L HA -0.097 4.243 4.340 -0.001 0.000 0.204 156 L C 2.311 179.092 176.870 -0.148 0.000 1.080 156 L CA 1.770 56.511 54.840 -0.165 0.000 0.759 156 L CB -1.184 40.756 42.059 -0.199 0.000 0.914 156 L HN 0.009 nan 8.230 nan 0.000 0.439 157 Q N -0.232 119.476 119.800 -0.153 0.000 2.152 157 Q HA -0.269 4.071 4.340 -0.001 0.000 0.206 157 Q C 1.864 177.911 176.000 0.078 0.000 0.985 157 Q CA 1.975 57.787 55.803 0.016 0.000 0.863 157 Q CB 0.158 28.985 28.738 0.149 0.000 0.904 157 Q HN 0.423 nan 8.270 nan 0.000 0.422 158 E N 0.170 120.419 120.200 0.083 0.000 2.028 158 E HA -0.120 4.230 4.350 -0.001 0.000 0.191 158 E C 1.853 178.516 176.600 0.104 0.000 0.988 158 E CA 1.320 57.801 56.400 0.136 0.000 0.799 158 E CB -0.540 29.315 29.700 0.257 0.000 0.755 158 E HN 0.473 nan 8.360 nan 0.000 0.447 159 A N 0.564 123.426 122.820 0.070 0.000 2.019 159 A HA -0.125 4.195 4.320 -0.001 0.000 0.219 159 A C 2.512 180.138 177.584 0.071 0.000 1.164 159 A CA 1.460 53.536 52.037 0.066 0.000 0.644 159 A CB -0.398 18.624 19.000 0.038 0.000 0.805 159 A HN 0.148 nan 8.150 nan 0.000 0.449 160 V N -0.574 119.379 119.914 0.064 0.000 2.446 160 V HA -0.226 3.894 4.120 -0.001 0.000 0.244 160 V C 2.517 178.645 176.094 0.055 0.000 1.039 160 V CA 1.781 64.124 62.300 0.071 0.000 1.045 160 V CB -0.784 31.076 31.823 0.063 0.000 0.681 160 V HN 0.749 nan 8.190 nan 0.000 0.459 161 Q N 0.420 120.263 119.800 0.073 0.000 2.404 161 Q HA -0.273 4.066 4.340 -0.001 0.000 0.214 161 Q C 0.354 176.375 176.000 0.034 0.000 0.992 161 Q CA 0.853 56.697 55.803 0.069 0.000 0.899 161 Q CB 0.017 28.824 28.738 0.115 0.000 0.921 161 Q HN 0.357 nan 8.270 nan 0.000 0.453 162 R N -0.869 119.657 120.500 0.043 0.000 3.267 162 R HA -0.149 4.191 4.340 -0.001 0.000 0.254 162 R C 0.058 176.388 176.300 0.049 0.000 0.993 162 R CA 0.816 56.941 56.100 0.043 0.000 0.670 162 R CB -2.566 27.745 30.300 0.019 0.000 1.125 162 R HN 0.530 nan 8.270 nan 0.000 0.434 163 G N -0.629 108.212 108.800 0.070 0.000 2.504 163 G HA2 0.312 4.272 3.960 -0.001 0.000 0.257 163 G HA3 0.312 4.272 3.960 -0.001 0.000 0.257 163 G C -0.536 174.404 174.900 0.067 0.000 1.451 163 G CA -0.129 45.017 45.100 0.075 0.000 1.059 163 G HN 0.256 nan 8.290 nan 0.000 0.550 164 D N -2.688 117.749 120.400 0.062 0.000 2.248 164 D HA 0.559 5.199 4.640 -0.001 0.000 0.246 164 D C -0.251 176.095 176.300 0.077 0.000 1.027 164 D CA -0.293 53.736 54.000 0.049 0.000 0.853 164 D CB 1.924 42.731 40.800 0.011 0.000 1.243 164 D HN 0.267 nan 8.370 nan 0.000 0.462 165 T N 1.978 116.598 114.554 0.111 0.000 4.242 165 T HA 0.097 4.446 4.350 -0.001 0.000 0.288 165 T C -1.665 173.193 174.700 0.263 0.000 0.931 165 T CA -0.528 61.736 62.100 0.274 0.000 1.071 165 T CB -0.271 68.707 68.868 0.185 0.000 1.054 165 T HN 0.330 nan 8.240 nan 0.000 0.481 166 D N 0.748 121.218 120.400 0.116 0.000 2.349 166 D HA 0.354 4.994 4.640 -0.001 0.000 0.232 166 D C -0.258 176.040 176.300 -0.003 0.000 1.071 166 D CA -0.534 53.521 54.000 0.091 0.000 0.832 166 D CB 0.610 41.409 40.800 -0.001 0.000 1.086 166 D HN 0.361 nan 8.370 nan 0.000 0.504 167 F N 2.155 122.098 119.950 -0.013 0.000 2.735 167 F HA 0.299 4.826 4.527 -0.001 0.000 0.304 167 F C 1.133 176.919 175.800 -0.022 0.000 1.119 167 F CA -0.661 57.326 58.000 -0.021 0.000 1.280 167 F CB 0.537 39.527 39.000 -0.018 0.000 0.994 167 F HN 0.000 nan 8.300 nan 0.000 0.520 168 R N 0.025 120.590 120.500 0.108 0.000 2.537 168 R HA 0.347 4.686 4.340 -0.001 0.000 0.280 168 R C 1.384 177.696 176.300 0.020 0.000 1.058 168 R CA 1.143 57.278 56.100 0.059 0.000 1.057 168 R CB 0.333 30.652 30.300 0.032 0.000 0.973 168 R HN 0.432 nan 8.270 nan 0.000 0.438 169 G N 2.292 111.103 108.800 0.018 0.000 2.189 169 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.267 169 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.267 169 G C 0.656 175.540 174.900 -0.026 0.000 0.975 169 G CA 0.315 45.412 45.100 -0.006 0.000 0.644 169 G HN 0.504 nan 8.290 nan 0.000 0.537 170 L N 0.865 122.072 121.223 -0.027 0.000 2.013 170 L HA -0.095 4.245 4.340 -0.001 0.000 0.212 170 L C 3.194 180.017 176.870 -0.079 0.000 1.073 170 L CA 2.562 57.361 54.840 -0.068 0.000 0.753 170 L CB -0.904 41.132 42.059 -0.039 0.000 0.890 170 L HN 0.364 nan 8.230 nan 0.000 0.432 171 V N 0.235 120.129 119.914 -0.033 0.000 2.252 171 V HA -0.285 3.834 4.120 -0.001 0.000 0.249 171 V C 2.557 178.623 176.094 -0.046 0.000 1.056 171 V CA 2.025 64.305 62.300 -0.032 0.000 1.022 171 V CB -1.205 30.618 31.823 -0.001 0.000 0.641 171 V HN 0.584 nan 8.190 nan 0.000 0.445 172 E N 1.415 121.594 120.200 -0.034 0.000 2.107 172 E HA -0.257 4.093 4.350 -0.001 0.000 0.191 172 E C 2.202 178.774 176.600 -0.048 0.000 0.982 172 E CA 1.379 57.760 56.400 -0.033 0.000 0.809 172 E CB -0.577 29.112 29.700 -0.019 0.000 0.756 172 E HN 0.524 nan 8.360 nan 0.000 0.459 173 R N 0.798 121.261 120.500 -0.062 0.000 2.117 173 R HA -0.126 4.213 4.340 -0.001 0.000 0.243 173 R C 2.437 178.677 176.300 -0.101 0.000 1.143 173 R CA 1.229 57.283 56.100 -0.076 0.000 0.968 173 R CB -0.458 29.788 30.300 -0.091 0.000 0.863 173 R HN 0.305 nan 8.270 nan 0.000 0.444 174 L N -0.449 120.688 121.223 -0.142 0.000 2.049 174 L HA 0.172 4.511 4.340 -0.001 0.000 0.203 174 L C 2.176 178.991 176.870 -0.092 0.000 1.074 174 L CA 1.972 56.697 54.840 -0.193 0.000 0.749 174 L CB -0.896 41.004 42.059 -0.265 0.000 0.907 174 L HN 0.184 nan 8.230 nan 0.000 0.439 175 A N 0.155 122.938 122.820 -0.062 0.000 1.915 175 A HA -0.340 3.980 4.320 -0.001 0.000 0.220 175 A C 2.252 179.821 177.584 -0.024 0.000 1.198 175 A CA 2.484 54.504 52.037 -0.029 0.000 0.647 175 A CB -0.989 17.998 19.000 -0.020 0.000 0.825 175 A HN 0.773 nan 8.150 nan 0.000 0.456 176 E N 0.104 120.286 120.200 -0.030 0.000 2.250 176 E HA -0.009 4.340 4.350 -0.001 0.000 0.192 176 E C 1.229 177.818 176.600 -0.017 0.000 0.986 176 E CA 0.778 57.166 56.400 -0.021 0.000 0.849 176 E CB -0.409 29.278 29.700 -0.021 0.000 0.797 176 E HN 0.695 nan 8.360 nan 0.000 0.482 177 L N 0.234 121.446 121.223 -0.019 0.000 2.939 177 L HA 0.359 4.699 4.340 -0.001 0.000 0.239 177 L C 0.524 177.396 176.870 0.003 0.000 1.325 177 L CA -0.212 54.626 54.840 -0.003 0.000 1.170 177 L CB -0.171 41.895 42.059 0.012 0.000 1.538 177 L HN -0.014 nan 8.230 nan 0.000 0.452 178 L N 0.069 121.288 121.223 -0.007 0.000 2.615 178 L HA 0.287 4.626 4.340 -0.001 0.000 0.155 178 L C -1.126 175.727 176.870 -0.028 0.000 1.194 178 L CA -1.347 53.489 54.840 -0.005 0.000 1.826 178 L CB -0.411 41.651 42.059 0.006 0.000 2.324 178 L HN 0.245 nan 8.230 nan 0.000 0.520 179 P HA -0.066 nan 4.420 nan 0.000 0.255 179 P C -0.672 176.551 177.300 -0.127 0.000 1.161 179 P CA 0.351 63.414 63.100 -0.062 0.000 0.768 179 P CB 0.092 31.761 31.700 -0.051 0.000 0.746 180 L N 7.252 128.342 121.223 -0.221 0.000 2.543 180 L HA 0.293 4.633 4.340 -0.001 0.000 0.231 180 L C -0.307 176.262 176.870 -0.501 0.000 1.194 180 L CA -1.688 52.898 54.840 -0.423 0.000 0.823 180 L CB -1.283 40.301 42.059 -0.791 0.000 1.374 180 L HN 0.272 nan 8.230 nan 0.000 0.507 181 P HA -0.163 nan 4.420 nan 0.000 0.208 181 P C 0.286 177.301 177.300 -0.475 0.000 1.189 181 P CA 1.251 64.088 63.100 -0.439 0.000 0.931 181 P CB -0.314 31.236 31.700 -0.249 0.000 0.783 182 F N -0.146 119.781 119.950 -0.037 0.000 2.485 182 F HA 0.443 4.970 4.527 -0.001 0.000 0.327 182 F C -2.261 173.505 175.800 -0.057 0.000 1.203 182 F CA -3.036 54.929 58.000 -0.058 0.000 1.295 182 F CB -2.217 36.735 39.000 -0.081 0.000 1.191 182 F HN -0.083 nan 8.300 nan 0.000 0.588 183 P HA 0.397 nan 4.420 nan 0.000 0.274 183 P C -1.051 176.322 177.300 0.120 0.000 1.246 183 P CA -0.429 62.693 63.100 0.037 0.000 0.795 183 P CB 1.451 33.133 31.700 -0.032 0.000 1.006 184 V N 1.909 121.871 119.914 0.081 0.000 2.808 184 V HA 0.528 4.648 4.120 -0.001 0.000 0.308 184 V C -0.142 176.008 176.094 0.094 0.000 1.099 184 V CA -0.539 61.831 62.300 0.117 0.000 0.920 184 V CB 1.719 33.674 31.823 0.220 0.000 1.014 184 V HN 0.565 nan 8.190 nan 0.000 0.425 185 M N 3.800 123.449 119.600 0.082 0.000 2.530 185 M HA 0.922 5.402 4.480 -0.001 0.000 0.307 185 M C -1.387 175.001 176.300 0.147 0.000 1.161 185 M CA -0.862 54.500 55.300 0.102 0.000 0.903 185 M CB 2.188 34.837 32.600 0.082 0.000 1.711 185 M HN 0.221 nan 8.290 nan 0.000 0.451 186 V N 2.157 122.162 119.914 0.153 0.000 2.472 186 V HA 0.694 4.813 4.120 -0.001 0.000 0.290 186 V C -0.286 175.889 176.094 0.135 0.000 1.037 186 V CA -0.524 61.876 62.300 0.167 0.000 0.908 186 V CB 1.115 33.025 31.823 0.145 0.000 0.985 186 V HN 1.007 nan 8.190 nan 0.000 0.454 187 K N 2.493 122.983 120.400 0.149 0.000 2.439 187 K HA 0.801 5.120 4.320 -0.001 0.000 0.260 187 K C -0.826 175.866 176.600 0.154 0.000 1.032 187 K CA -0.957 55.407 56.287 0.128 0.000 0.882 187 K CB 2.677 35.237 32.500 0.100 0.000 1.420 187 K HN 0.426 nan 8.250 nan 0.000 0.455 188 E N 0.163 120.444 120.200 0.135 0.000 2.396 188 E HA 0.259 4.609 4.350 -0.001 0.000 0.251 188 E C -0.275 176.420 176.600 0.159 0.000 0.949 188 E CA -0.505 55.990 56.400 0.159 0.000 0.834 188 E CB 2.109 31.895 29.700 0.144 0.000 1.309 188 E HN 0.504 nan 8.360 nan 0.000 0.405 189 V N -1.831 118.206 119.914 0.205 0.000 3.121 189 V HA 0.476 4.596 4.120 -0.001 0.000 0.344 189 V C 0.643 176.957 176.094 0.368 0.000 1.390 189 V CA 0.468 62.876 62.300 0.179 0.000 1.177 189 V CB -0.058 31.777 31.823 0.020 0.000 1.163 189 V HN 0.790 nan 8.190 nan 0.000 0.484 190 G N 0.793 109.765 108.800 0.286 0.000 2.165 190 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.226 190 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.226 190 G C 0.053 175.046 174.900 0.155 0.000 1.035 190 G CA 0.563 45.804 45.100 0.236 0.000 0.744 190 G HN 0.718 nan 8.290 nan 0.000 0.501 191 H N -0.270 118.963 119.070 0.272 0.000 2.622 191 H HA 0.474 5.030 4.556 -0.001 0.000 0.269 191 H C 1.700 177.109 175.328 0.135 0.000 0.977 191 H CA 1.419 57.620 56.048 0.256 0.000 1.179 191 H CB 0.873 30.769 29.762 0.223 0.000 1.458 191 H HN 1.528 nan 8.280 nan 0.000 0.531 192 G N 0.416 109.318 108.800 0.171 0.000 2.787 192 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.685 192 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.685 192 G C -0.826 174.124 174.900 0.083 0.000 1.437 192 G CA -0.572 44.584 45.100 0.093 0.000 0.872 192 G HN 0.205 nan 8.290 nan 0.000 0.566 193 L N 1.391 122.647 121.223 0.056 0.000 2.296 193 L HA 0.597 4.937 4.340 -0.001 0.000 0.286 193 L C 1.209 178.097 176.870 0.030 0.000 1.023 193 L CA -0.348 54.519 54.840 0.046 0.000 0.812 193 L CB 1.740 43.826 42.059 0.045 0.000 1.223 193 L HN 1.000 nan 8.230 nan 0.000 0.421 194 S N 2.579 118.296 115.700 0.028 0.000 2.681 194 S HA 0.273 4.743 4.470 -0.001 0.000 0.270 194 S C 1.140 175.749 174.600 0.016 0.000 1.209 194 S CA -0.603 57.609 58.200 0.020 0.000 0.988 194 S CB 1.187 64.400 63.200 0.021 0.000 1.006 194 S HN 0.789 nan 8.310 nan 0.000 0.558 195 R N 0.797 121.304 120.500 0.012 0.000 2.127 195 R HA -0.134 4.206 4.340 -0.001 0.000 0.238 195 R C 1.453 177.759 176.300 0.011 0.000 1.134 195 R CA 1.862 57.967 56.100 0.009 0.000 0.975 195 R CB -0.645 29.659 30.300 0.006 0.000 0.865 195 R HN 0.792 nan 8.270 nan 0.000 0.447 196 E N 1.213 121.420 120.200 0.012 0.000 2.216 196 E HA -0.067 4.283 4.350 -0.001 0.000 0.192 196 E C 2.040 178.650 176.600 0.016 0.000 0.988 196 E CA 1.019 57.427 56.400 0.013 0.000 0.834 196 E CB -0.317 29.390 29.700 0.011 0.000 0.772 196 E HN 0.485 nan 8.360 nan 0.000 0.479 197 A N 2.503 125.335 122.820 0.019 0.000 1.865 197 A HA -0.075 4.245 4.320 -0.001 0.000 0.217 197 A C 2.602 180.202 177.584 0.027 0.000 1.191 197 A CA 2.543 54.595 52.037 0.025 0.000 0.623 197 A CB -0.993 18.026 19.000 0.032 0.000 0.826 197 A HN 0.341 nan 8.150 nan 0.000 0.444 198 A N -0.599 122.235 122.820 0.024 0.000 1.927 198 A HA -0.169 4.151 4.320 -0.001 0.000 0.220 198 A C 2.211 179.807 177.584 0.019 0.000 1.185 198 A CA 1.796 53.846 52.037 0.022 0.000 0.639 198 A CB -0.724 18.284 19.000 0.014 0.000 0.820 198 A HN 0.499 nan 8.150 nan 0.000 0.451 199 L N -0.920 120.312 121.223 0.015 0.000 2.042 199 L HA -0.234 4.105 4.340 -0.001 0.000 0.210 199 L C 3.044 179.924 176.870 0.016 0.000 1.076 199 L CA 1.406 56.254 54.840 0.014 0.000 0.749 199 L CB -0.341 41.725 42.059 0.011 0.000 0.893 199 L HN 0.447 nan 8.230 nan 0.000 0.432 200 A N -0.515 122.316 122.820 0.018 0.000 1.930 200 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 200 A C 2.037 179.634 177.584 0.021 0.000 1.175 200 A CA 1.266 53.314 52.037 0.018 0.000 0.627 200 A CB -0.663 18.349 19.000 0.020 0.000 0.815 200 A HN 0.422 nan 8.150 nan 0.000 0.443 201 L N -0.864 120.375 121.223 0.026 0.000 2.610 201 L HA 0.072 4.412 4.340 -0.001 0.000 0.232 201 L C 2.065 178.953 176.870 0.030 0.000 1.149 201 L CA 0.047 54.905 54.840 0.031 0.000 0.872 201 L CB -0.368 41.716 42.059 0.042 0.000 0.992 201 L HN 0.278 nan 8.230 nan 0.000 0.447 202 R N 0.800 121.315 120.500 0.025 0.000 2.455 202 R HA -0.158 4.181 4.340 -0.001 0.000 0.211 202 R C -0.085 176.231 176.300 0.026 0.000 1.143 202 R CA 1.052 57.167 56.100 0.025 0.000 1.110 202 R CB -0.229 30.083 30.300 0.020 0.000 0.819 202 R HN 0.560 nan 8.270 nan 0.000 0.485 203 D N -2.013 118.402 120.400 0.025 0.000 2.001 203 D HA 0.005 4.645 4.640 -0.001 0.000 0.337 203 D C -0.433 175.880 176.300 0.022 0.000 1.148 203 D CA -0.495 53.518 54.000 0.022 0.000 1.057 203 D CB -0.239 40.570 40.800 0.015 0.000 1.884 203 D HN -0.104 nan 8.370 nan 0.000 0.529 204 L N 3.986 125.221 121.223 0.021 0.000 3.009 204 L HA -0.034 4.306 4.340 -0.001 0.000 0.302 204 L C -1.870 175.020 176.870 0.034 0.000 1.060 204 L CA 0.264 55.120 54.840 0.025 0.000 0.941 204 L CB -0.742 41.335 42.059 0.030 0.000 1.406 204 L HN 0.102 nan 8.230 nan 0.000 0.473 205 P HA 0.053 nan 4.420 nan 0.000 0.238 205 P C -0.424 176.898 177.300 0.038 0.000 1.729 205 P CA 0.048 63.164 63.100 0.027 0.000 1.055 205 P CB -0.155 31.552 31.700 0.011 0.000 1.980 206 L N 0.640 121.895 121.223 0.053 0.000 2.375 206 L HA 0.437 4.776 4.340 -0.001 0.000 0.271 206 L C 1.869 178.776 176.870 0.061 0.000 1.107 206 L CA -0.607 54.273 54.840 0.068 0.000 0.806 206 L CB 0.597 42.706 42.059 0.084 0.000 1.146 206 L HN 0.014 nan 8.230 nan 0.000 0.447 207 A N 2.014 124.865 122.820 0.053 0.000 1.874 207 A HA 0.429 4.749 4.320 -0.001 0.000 0.214 207 A C 0.986 178.628 177.584 0.098 0.000 1.189 207 A CA 1.379 53.442 52.037 0.042 0.000 0.615 207 A CB -0.179 18.808 19.000 -0.023 0.000 0.830 207 A HN 0.786 nan 8.150 nan 0.000 0.443 208 A N -1.873 121.018 122.820 0.118 0.000 2.483 208 A HA 0.688 5.007 4.320 -0.001 0.000 0.286 208 A C -1.249 176.418 177.584 0.139 0.000 1.207 208 A CA -0.253 51.898 52.037 0.190 0.000 0.764 208 A CB 1.262 20.471 19.000 0.349 0.000 1.341 208 A HN 0.734 nan 8.150 nan 0.000 0.428 209 V N 1.013 121.005 119.914 0.130 0.000 2.711 209 V HA 0.477 4.596 4.120 -0.001 0.000 0.304 209 V C -1.513 174.634 176.094 0.089 0.000 1.097 209 V CA -0.602 61.758 62.300 0.101 0.000 0.906 209 V CB 1.692 33.559 31.823 0.074 0.000 1.015 209 V HN 1.006 nan 8.190 nan 0.000 0.427 210 D N 2.760 123.211 120.400 0.086 0.000 2.192 210 D HA 0.519 5.159 4.640 -0.001 0.000 0.246 210 D C 0.749 177.078 176.300 0.048 0.000 1.042 210 D CA -0.220 53.814 54.000 0.057 0.000 0.847 210 D CB 2.405 43.240 40.800 0.058 0.000 1.186 210 D HN 0.423 nan 8.370 nan 0.000 0.461 211 V N 1.643 121.572 119.914 0.025 0.000 3.052 211 V HA 0.335 4.455 4.120 -0.001 0.000 0.254 211 V C 1.281 177.397 176.094 0.037 0.000 1.100 211 V CA 0.570 62.886 62.300 0.027 0.000 1.112 211 V CB -1.248 30.578 31.823 0.004 0.000 0.738 211 V HN 0.931 nan 8.190 nan 0.000 0.469 212 A N 0.763 123.601 122.820 0.030 0.000 2.154 212 A HA -0.000 4.319 4.320 -0.001 0.000 0.274 212 A C 0.880 178.497 177.584 0.055 0.000 1.373 212 A CA 0.777 52.845 52.037 0.052 0.000 0.751 212 A CB -1.975 17.077 19.000 0.087 0.000 1.149 212 A HN 1.608 nan 8.150 nan 0.000 0.337 213 G N -0.507 108.294 108.800 0.001 0.000 2.557 213 G HA2 0.770 4.729 3.960 -0.001 0.000 0.292 213 G HA3 0.770 4.729 3.960 -0.001 0.000 0.292 213 G C 0.488 175.326 174.900 -0.104 0.000 1.237 213 G CA 0.044 45.123 45.100 -0.035 0.000 0.978 213 G HN 2.022 nan 8.290 nan 0.000 0.498 214 A N -1.824 120.852 122.820 -0.239 0.000 2.366 214 A HA 0.625 4.945 4.320 -0.001 0.000 0.249 214 A C 1.281 178.497 177.584 -0.614 0.000 1.084 214 A CA 0.946 52.569 52.037 -0.689 0.000 0.794 214 A CB 0.381 18.844 19.000 -0.895 0.000 1.034 214 A HN 2.324 nan 8.150 nan 0.000 0.491 215 G N -0.616 107.670 108.800 -0.857 0.000 2.705 215 G HA2 0.111 4.070 3.960 -0.001 0.000 0.193 215 G HA3 0.111 4.070 3.960 -0.001 0.000 0.193 215 G C 0.796 175.583 174.900 -0.189 0.000 1.015 215 G CA 0.598 45.434 45.100 -0.441 0.000 0.743 215 G HN 1.630 nan 8.290 nan 0.000 0.476 216 G N 0.049 108.818 108.800 -0.052 0.000 2.968 216 G HA2 0.506 4.465 3.960 -0.001 0.000 0.206 216 G HA3 0.506 4.465 3.960 -0.001 0.000 0.206 216 G C 0.688 175.778 174.900 0.316 0.000 2.051 216 G CA 1.222 46.363 45.100 0.069 0.000 0.773 216 G HN 1.341 nan 8.290 nan 0.000 0.741 217 T N -1.225 113.486 114.554 0.262 0.000 2.817 217 T HA 0.485 4.834 4.350 -0.001 0.000 0.293 217 T C -0.074 174.538 174.700 -0.147 0.000 0.964 217 T CA 0.000 62.108 62.100 0.013 0.000 1.085 217 T CB 1.434 70.244 68.868 -0.097 0.000 0.921 217 T HN 0.420 nan 8.240 nan 0.000 0.502 218 S N 3.524 118.922 115.700 -0.504 0.000 2.404 218 S HA 0.227 4.697 4.470 -0.001 0.000 0.309 218 S C 0.691 175.122 174.600 -0.283 0.000 1.076 218 S CA -0.926 56.814 58.200 -0.765 0.000 1.095 218 S CB -0.232 62.212 63.200 -1.261 0.000 0.972 218 S HN 0.862 nan 8.310 nan 0.000 0.484 219 W N 4.124 125.619 121.300 0.324 0.000 2.335 219 W HA -0.152 4.508 4.660 -0.001 0.000 0.311 219 W C 2.574 179.193 176.519 0.168 0.000 1.213 219 W CA 1.562 59.067 57.345 0.267 0.000 1.274 219 W CB -0.608 28.995 29.460 0.239 0.000 1.148 219 W HN 0.888 nan 8.180 nan 0.000 0.498 220 A N 0.449 123.428 122.820 0.264 0.000 1.903 220 A HA -0.295 4.024 4.320 -0.001 0.000 0.219 220 A C 1.980 179.603 177.584 0.066 0.000 1.191 220 A CA 2.313 54.405 52.037 0.092 0.000 0.638 220 A CB -0.917 18.098 19.000 0.026 0.000 0.823 220 A HN 0.346 nan 8.150 nan 0.000 0.451 221 R N -0.923 119.568 120.500 -0.015 0.000 2.081 221 R HA -0.058 4.281 4.340 -0.001 0.000 0.235 221 R C 2.088 178.380 176.300 -0.013 0.000 1.131 221 R CA 1.332 57.411 56.100 -0.035 0.000 0.960 221 R CB -0.649 29.567 30.300 -0.140 0.000 0.856 221 R HN 0.424 nan 8.270 nan 0.000 0.436 222 V N 1.130 120.945 119.914 -0.164 0.000 2.250 222 V HA -0.327 3.793 4.120 -0.001 0.000 0.240 222 V C 1.912 178.045 176.094 0.065 0.000 1.025 222 V CA 2.142 64.334 62.300 -0.180 0.000 0.999 222 V CB -0.616 30.818 31.823 -0.648 0.000 0.646 222 V HN 0.310 nan 8.190 nan 0.000 0.470 223 E N -0.307 119.996 120.200 0.171 0.000 2.661 223 E HA -0.341 4.008 4.350 -0.001 0.000 0.250 223 E C 2.041 178.666 176.600 0.041 0.000 1.059 223 E CA 2.684 59.190 56.400 0.176 0.000 1.381 223 E CB -0.533 29.292 29.700 0.207 0.000 1.255 223 E HN 0.733 nan 8.360 nan 0.000 0.469 224 E N -1.582 118.651 120.200 0.056 0.000 2.072 224 E HA -0.147 4.202 4.350 -0.001 0.000 0.190 224 E C 1.946 178.605 176.600 0.098 0.000 0.982 224 E CA 0.710 57.139 56.400 0.048 0.000 0.803 224 E CB -0.447 29.348 29.700 0.158 0.000 0.755 224 E HN 0.499 nan 8.360 nan 0.000 0.453 225 W N 1.735 123.023 121.300 -0.021 0.000 2.364 225 W HA -0.169 4.491 4.660 -0.001 0.000 0.281 225 W C 1.706 178.186 176.519 -0.065 0.000 1.219 225 W CA 0.963 58.295 57.345 -0.022 0.000 1.220 225 W CB -0.021 29.406 29.460 -0.055 0.000 1.127 225 W HN -0.112 nan 8.180 nan 0.000 0.556 226 V N 1.229 121.197 119.914 0.090 0.000 2.231 226 V HA -0.198 3.922 4.120 -0.001 0.000 0.240 226 V C 2.355 178.343 176.094 -0.176 0.000 1.039 226 V CA 1.531 63.796 62.300 -0.059 0.000 0.998 226 V CB -0.865 30.857 31.823 -0.169 0.000 0.639 226 V HN -0.100 nan 8.190 nan 0.000 0.451 227 R N -0.986 119.333 120.500 -0.302 0.000 2.425 227 R HA -0.056 4.284 4.340 -0.001 0.000 0.206 227 R C 0.470 176.220 176.300 -0.916 0.000 1.117 227 R CA 1.074 56.809 56.100 -0.609 0.000 1.098 227 R CB -0.421 29.354 30.300 -0.875 0.000 0.843 227 R HN 0.660 nan 8.270 nan 0.000 0.480 228 F N -3.618 116.246 119.950 -0.142 0.000 3.191 228 F HA 0.049 4.576 4.527 -0.001 0.000 0.420 228 F C 1.299 176.900 175.800 -0.333 0.000 1.028 228 F CA -0.008 57.874 58.000 -0.196 0.000 0.712 228 F CB -0.039 38.839 39.000 -0.204 0.000 1.739 228 F HN 0.081 nan 8.300 nan 0.000 0.477 229 G N 1.770 110.389 108.800 -0.302 0.000 2.186 229 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.266 229 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.266 229 G C -0.033 174.058 174.900 -1.349 0.000 0.982 229 G CA 1.222 45.847 45.100 -0.792 0.000 0.670 229 G HN 0.589 nan 8.290 nan 0.000 0.533 230 E N -1.955 117.754 120.200 -0.818 0.000 2.433 230 E HA 0.659 5.009 4.350 -0.001 0.000 0.278 230 E C -0.904 175.568 176.600 -0.213 0.000 0.976 230 E CA -1.285 54.658 56.400 -0.762 0.000 0.793 230 E CB 1.760 31.195 29.700 -0.441 0.000 1.311 230 E HN 0.248 nan 8.360 nan 0.000 0.460 231 V N 2.463 122.372 119.914 -0.008 0.000 2.353 231 V HA 0.212 4.332 4.120 -0.001 0.000 0.264 231 V C 1.251 177.323 176.094 -0.036 0.000 1.049 231 V CA -0.278 62.064 62.300 0.070 0.000 0.896 231 V CB 0.581 32.497 31.823 0.154 0.000 1.025 231 V HN 0.714 nan 8.190 nan 0.000 0.475 232 R N 2.485 122.886 120.500 -0.165 0.000 2.062 232 R HA 0.009 4.349 4.340 -0.001 0.000 0.226 232 R C 0.233 176.621 176.300 0.147 0.000 1.125 232 R CA 0.871 56.854 56.100 -0.194 0.000 0.966 232 R CB 0.228 30.165 30.300 -0.605 0.000 0.861 232 R HN 0.795 nan 8.270 nan 0.000 0.433 233 H N -0.435 118.626 119.070 -0.015 0.000 2.369 233 H HA 0.268 4.824 4.556 -0.001 0.000 0.228 233 H C -2.074 173.279 175.328 0.042 0.000 1.548 233 H CA -3.143 52.913 56.048 0.014 0.000 1.275 233 H CB 0.773 30.556 29.762 0.036 0.000 1.549 233 H HN 0.113 nan 8.280 nan 0.000 0.542 234 P HA -0.263 nan 4.420 nan 0.000 0.219 234 P C 1.800 179.166 177.300 0.110 0.000 1.161 234 P CA 1.802 64.965 63.100 0.104 0.000 0.909 234 P CB 0.663 32.414 31.700 0.084 0.000 0.793 235 E N -0.815 119.451 120.200 0.109 0.000 2.023 235 E HA -0.185 4.165 4.350 -0.001 0.000 0.196 235 E C 2.005 178.679 176.600 0.124 0.000 1.003 235 E CA 0.894 57.357 56.400 0.104 0.000 0.809 235 E CB -0.909 28.838 29.700 0.079 0.000 0.755 235 E HN -0.043 nan 8.360 nan 0.000 0.449 236 L N 0.596 121.899 121.223 0.132 0.000 2.123 236 L HA -0.286 4.054 4.340 -0.001 0.000 0.217 236 L C 2.003 178.965 176.870 0.153 0.000 1.081 236 L CA 1.786 56.712 54.840 0.143 0.000 0.772 236 L CB -0.549 41.623 42.059 0.189 0.000 0.890 236 L HN 0.498 nan 8.230 nan 0.000 0.437 237 C N -0.474 118.913 119.300 0.145 0.000 2.696 237 C HA 0.052 4.512 4.460 -0.001 0.000 0.264 237 C C 2.070 177.138 174.990 0.131 0.000 1.288 237 C CA -0.353 58.743 59.018 0.129 0.000 1.717 237 C CB -0.435 27.343 27.740 0.064 0.000 1.893 237 C HN 0.480 nan 8.230 nan 0.000 0.577 238 E N 1.005 121.322 120.200 0.195 0.000 2.489 238 E HA 0.180 4.530 4.350 -0.001 0.000 0.193 238 E C 0.534 177.350 176.600 0.359 0.000 1.057 238 E CA 0.127 56.735 56.400 0.347 0.000 0.866 238 E CB -0.025 29.832 29.700 0.261 0.000 0.916 238 E HN 0.648 nan 8.360 nan 0.000 0.500 239 I N 1.589 122.333 120.570 0.290 0.000 2.752 239 I HA 0.076 4.246 4.170 -0.001 0.000 0.289 239 I C 0.859 177.186 176.117 0.349 0.000 1.197 239 I CA 0.763 62.213 61.300 0.251 0.000 1.432 239 I CB 0.242 38.362 38.000 0.199 0.000 1.359 239 I HN -0.005 nan 8.210 nan 0.000 0.571 240 G N 6.571 115.500 108.800 0.215 0.000 2.361 240 G HA2 0.293 4.253 3.960 -0.001 0.000 0.299 240 G HA3 0.293 4.253 3.960 -0.001 0.000 0.299 240 G C -1.343 173.587 174.900 0.050 0.000 1.544 240 G CA -0.875 44.331 45.100 0.176 0.000 0.860 240 G HN 0.230 nan 8.290 nan 0.000 0.610 241 I N 1.726 122.315 120.570 0.032 0.000 2.337 241 I HA 0.293 4.463 4.170 -0.001 0.000 0.291 241 I C -2.039 174.042 176.117 -0.060 0.000 1.046 241 I CA -2.898 58.399 61.300 -0.005 0.000 1.324 241 I CB 0.740 38.747 38.000 0.012 0.000 1.409 241 I HN 0.080 nan 8.210 nan 0.000 0.494 242 P HA 0.113 nan 4.420 nan 0.000 0.268 242 P C 1.016 178.260 177.300 -0.093 0.000 1.205 242 P CA 0.088 63.106 63.100 -0.136 0.000 0.771 242 P CB 0.552 32.187 31.700 -0.109 0.000 0.858 243 T N 2.192 116.674 114.554 -0.119 0.000 2.620 243 T HA -0.309 4.041 4.350 -0.001 0.000 0.267 243 T C 1.759 176.416 174.700 -0.073 0.000 1.044 243 T CA 2.374 64.420 62.100 -0.090 0.000 1.161 243 T CB -0.873 67.930 68.868 -0.109 0.000 0.862 243 T HN 0.496 nan 8.240 nan 0.000 0.438 244 A N 1.470 124.253 122.820 -0.061 0.000 1.902 244 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 244 A C 2.400 179.947 177.584 -0.061 0.000 1.181 244 A CA 1.312 53.296 52.037 -0.088 0.000 0.623 244 A CB -0.474 18.519 19.000 -0.013 0.000 0.818 244 A HN 0.217 nan 8.150 nan 0.000 0.443 245 R N -0.519 119.982 120.500 0.002 0.000 2.092 245 R HA -0.065 4.275 4.340 -0.001 0.000 0.231 245 R C 2.395 178.687 176.300 -0.012 0.000 1.119 245 R CA 1.397 57.507 56.100 0.018 0.000 0.970 245 R CB -0.731 29.583 30.300 0.023 0.000 0.864 245 R HN 0.531 nan 8.270 nan 0.000 0.440 246 A N 1.285 124.090 122.820 -0.026 0.000 1.854 246 A HA -0.087 4.232 4.320 -0.001 0.000 0.214 246 A C 2.236 179.803 177.584 -0.029 0.000 1.192 246 A CA 0.982 53.007 52.037 -0.020 0.000 0.611 246 A CB -0.538 18.451 19.000 -0.018 0.000 0.832 246 A HN 0.194 nan 8.150 nan 0.000 0.442 247 I N -0.190 120.351 120.570 -0.048 0.000 2.103 247 I HA -0.385 3.785 4.170 -0.001 0.000 0.241 247 I C 2.545 178.624 176.117 -0.063 0.000 1.036 247 I CA 1.887 63.150 61.300 -0.062 0.000 1.300 247 I CB -0.889 37.052 38.000 -0.099 0.000 1.010 247 I HN 0.324 nan 8.210 nan 0.000 0.406 248 L N 0.281 121.460 121.223 -0.074 0.000 1.997 248 L HA -0.283 4.056 4.340 -0.001 0.000 0.216 248 L C 2.679 179.531 176.870 -0.030 0.000 1.074 248 L CA 1.797 56.603 54.840 -0.056 0.000 0.763 248 L CB -0.563 41.474 42.059 -0.037 0.000 0.890 248 L HN 0.301 nan 8.230 nan 0.000 0.434 249 E N -0.868 119.321 120.200 -0.018 0.000 2.077 249 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 249 E C 2.178 178.770 176.600 -0.013 0.000 0.989 249 E CA 1.415 57.810 56.400 -0.009 0.000 0.800 249 E CB 0.050 29.750 29.700 -0.000 0.000 0.746 249 E HN 0.265 nan 8.360 nan 0.000 0.452 250 V N 0.437 120.342 119.914 -0.015 0.000 2.591 250 V HA -0.149 3.971 4.120 -0.001 0.000 0.249 250 V C 2.244 178.326 176.094 -0.020 0.000 1.053 250 V CA 1.350 63.645 62.300 -0.009 0.000 1.068 250 V CB -0.290 31.532 31.823 -0.001 0.000 0.689 250 V HN 0.117 nan 8.190 nan 0.000 0.462 251 R N 1.130 121.611 120.500 -0.032 0.000 2.127 251 R HA -0.219 4.121 4.340 -0.001 0.000 0.238 251 R C 2.203 178.469 176.300 -0.056 0.000 1.134 251 R CA 1.939 58.010 56.100 -0.048 0.000 0.975 251 R CB -0.197 30.070 30.300 -0.056 0.000 0.865 251 R HN 0.795 nan 8.270 nan 0.000 0.447 252 E N -1.054 119.121 120.200 -0.041 0.000 2.208 252 E HA -0.107 4.243 4.350 -0.001 0.000 0.193 252 E C 1.651 178.225 176.600 -0.043 0.000 0.988 252 E CA 1.164 57.538 56.400 -0.042 0.000 0.828 252 E CB -0.064 29.621 29.700 -0.026 0.000 0.763 252 E HN 0.136 nan 8.360 nan 0.000 0.478 253 V N 1.157 121.052 119.914 -0.031 0.000 2.488 253 V HA -0.062 4.058 4.120 -0.001 0.000 0.246 253 V C 1.333 177.407 176.094 -0.033 0.000 1.046 253 V CA 0.968 63.254 62.300 -0.023 0.000 1.053 253 V CB -0.207 31.612 31.823 -0.007 0.000 0.679 253 V HN 0.278 nan 8.190 nan 0.000 0.458 254 L N 1.057 122.254 121.223 -0.043 0.000 2.599 254 L HA 0.288 4.627 4.340 -0.001 0.000 0.241 254 L C -1.824 174.975 176.870 -0.118 0.000 1.207 254 L CA -1.238 53.575 54.840 -0.045 0.000 0.987 254 L CB 0.821 42.878 42.059 -0.004 0.000 1.318 254 L HN 0.181 nan 8.230 nan 0.000 0.458 255 P HA -0.126 nan 4.420 nan 0.000 0.224 255 P C 0.383 177.314 177.300 -0.616 0.000 1.142 255 P CA 1.659 64.477 63.100 -0.469 0.000 0.778 255 P CB 0.219 31.526 31.700 -0.656 0.000 0.764 256 H N -3.335 115.746 119.070 0.017 0.000 2.006 256 H HA 0.174 4.729 4.556 -0.001 0.000 0.189 256 H C 0.449 175.796 175.328 0.031 0.000 0.887 256 H CA -0.776 55.285 56.048 0.021 0.000 0.958 256 H CB -0.685 29.090 29.762 0.022 0.000 1.163 256 H HN -0.096 nan 8.280 nan 0.000 0.364 257 L N 4.517 125.832 121.223 0.153 0.000 2.615 257 L HA 0.148 4.487 4.340 -0.001 0.000 0.284 257 L C -2.572 174.361 176.870 0.105 0.000 1.237 257 L CA -1.855 53.057 54.840 0.120 0.000 0.905 257 L CB -0.045 42.071 42.059 0.095 0.000 1.149 257 L HN -0.102 nan 8.230 nan 0.000 0.499 258 P HA 0.014 nan 4.420 nan 0.000 0.264 258 P C -0.868 176.488 177.300 0.094 0.000 1.173 258 P CA 0.499 63.673 63.100 0.123 0.000 0.761 258 P CB 0.301 32.146 31.700 0.241 0.000 0.794 259 L N 3.477 124.713 121.223 0.022 0.000 2.343 259 L HA 0.329 4.669 4.340 -0.001 0.000 0.278 259 L C -0.254 176.580 176.870 -0.060 0.000 0.996 259 L CA -0.986 53.852 54.840 -0.003 0.000 0.831 259 L CB 1.782 43.828 42.059 -0.021 0.000 1.232 259 L HN 0.091 nan 8.230 nan 0.000 0.413 260 V N 2.397 122.287 119.914 -0.039 0.000 2.785 260 V HA 0.634 4.754 4.120 -0.001 0.000 0.300 260 V C 0.426 176.481 176.094 -0.064 0.000 1.062 260 V CA -0.560 61.684 62.300 -0.093 0.000 1.029 260 V CB 1.566 33.347 31.823 -0.070 0.000 1.024 260 V HN 0.849 nan 8.190 nan 0.000 0.477 261 A N 3.170 125.939 122.820 -0.084 0.000 2.357 261 A HA 0.822 5.141 4.320 -0.001 0.000 0.295 261 A C -0.281 177.262 177.584 -0.068 0.000 1.121 261 A CA -0.326 51.672 52.037 -0.065 0.000 0.742 261 A CB 1.300 20.260 19.000 -0.066 0.000 1.181 261 A HN 1.136 nan 8.150 nan 0.000 0.454 262 S N 0.574 116.243 115.700 -0.052 0.000 2.533 262 S HA 0.868 5.338 4.470 -0.001 0.000 0.271 262 S C -0.342 174.238 174.600 -0.033 0.000 1.143 262 S CA -0.286 57.888 58.200 -0.044 0.000 0.891 262 S CB 1.453 64.631 63.200 -0.036 0.000 1.105 262 S HN 2.385 nan 8.310 nan 0.000 0.468 263 G N 0.092 108.859 108.800 -0.055 0.000 2.496 263 G HA2 0.510 4.470 3.960 -0.001 0.000 0.220 263 G HA3 0.510 4.470 3.960 -0.001 0.000 0.220 263 G C 0.658 175.393 174.900 -0.275 0.000 3.253 263 G CA 0.109 45.167 45.100 -0.069 0.000 0.843 263 G HN 2.252 nan 8.290 nan 0.000 0.512 264 G N -0.612 107.842 108.800 -0.576 0.000 2.249 264 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.273 264 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.273 264 G C 0.653 174.955 174.900 -0.998 0.000 1.036 264 G CA 0.520 44.500 45.100 -1.866 0.000 0.824 264 G HN 1.718 nan 8.290 nan 0.000 0.504 265 V N 0.944 120.639 119.914 -0.365 0.000 2.248 265 V HA 0.153 4.273 4.120 -0.001 0.000 0.309 265 V C 1.132 177.424 176.094 0.329 0.000 1.722 265 V CA -0.172 62.117 62.300 -0.018 0.000 1.693 265 V CB -0.945 30.901 31.823 0.038 0.000 1.470 265 V HN 0.388 nan 8.190 nan 0.000 0.518 266 Y N 0.892 121.366 120.300 0.290 0.000 2.490 266 Y HA 0.187 4.737 4.550 -0.001 0.000 0.281 266 Y C 1.480 177.656 175.900 0.460 0.000 1.174 266 Y CA -0.420 57.947 58.100 0.445 0.000 1.295 266 Y CB -0.415 38.243 38.460 0.331 0.000 1.062 266 Y HN 0.598 nan 8.280 nan 0.000 0.522 267 T N -5.391 109.392 114.554 0.382 0.000 2.896 267 T HA 0.543 4.892 4.350 -0.001 0.000 0.297 267 T C 1.328 175.725 174.700 -0.505 0.000 1.108 267 T CA -0.360 61.713 62.100 -0.044 0.000 1.004 267 T CB 1.535 70.372 68.868 -0.052 0.000 1.159 267 T HN 0.053 nan 8.240 nan 0.000 0.499 268 G N 0.906 109.178 108.800 -0.880 0.000 2.440 268 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.218 268 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.218 268 G C 1.269 175.939 174.900 -0.383 0.000 1.154 268 G CA 1.519 46.062 45.100 -0.929 0.000 0.767 268 G HN 0.810 nan 8.290 nan 0.000 0.552 269 T N 1.103 115.515 114.554 -0.236 0.000 2.708 269 T HA -0.087 4.262 4.350 -0.001 0.000 0.266 269 T C 2.000 176.655 174.700 -0.075 0.000 1.037 269 T CA 1.375 63.406 62.100 -0.116 0.000 1.146 269 T CB -0.315 68.503 68.868 -0.083 0.000 0.865 269 T HN 0.240 nan 8.240 nan 0.000 0.435 270 D N 1.078 121.443 120.400 -0.059 0.000 2.149 270 D HA -0.091 4.549 4.640 -0.001 0.000 0.198 270 D C 2.404 178.700 176.300 -0.006 0.000 0.990 270 D CA 1.297 55.286 54.000 -0.018 0.000 0.839 270 D CB -0.743 40.061 40.800 0.007 0.000 0.948 270 D HN 0.482 nan 8.370 nan 0.000 0.460 271 G N 1.286 110.090 108.800 0.007 0.000 2.606 271 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.221 271 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.221 271 G C 1.716 176.627 174.900 0.018 0.000 1.152 271 G CA 1.781 46.924 45.100 0.071 0.000 0.765 271 G HN 0.448 nan 8.290 nan 0.000 0.595 272 A N 0.282 123.092 122.820 -0.018 0.000 1.898 272 A HA 0.143 4.463 4.320 -0.001 0.000 0.214 272 A C 2.313 179.882 177.584 -0.025 0.000 1.183 272 A CA 1.706 53.736 52.037 -0.012 0.000 0.622 272 A CB -0.237 18.754 19.000 -0.015 0.000 0.824 272 A HN 0.354 nan 8.150 nan 0.000 0.444 273 K N 0.014 120.394 120.400 -0.033 0.000 2.097 273 K HA -0.095 4.225 4.320 -0.001 0.000 0.206 273 K C 2.258 178.789 176.600 -0.115 0.000 1.049 273 K CA 1.166 57.417 56.287 -0.060 0.000 0.933 273 K CB -0.290 32.187 32.500 -0.039 0.000 0.717 273 K HN 0.444 nan 8.250 nan 0.000 0.442 274 A N 1.660 124.430 122.820 -0.083 0.000 1.854 274 A HA -0.084 4.235 4.320 -0.001 0.000 0.214 274 A C 2.201 179.731 177.584 -0.090 0.000 1.192 274 A CA 0.923 52.901 52.037 -0.098 0.000 0.611 274 A CB -0.688 18.279 19.000 -0.056 0.000 0.832 274 A HN 0.118 nan 8.150 nan 0.000 0.442 275 L N -0.265 120.927 121.223 -0.052 0.000 2.021 275 L HA -0.309 4.030 4.340 -0.001 0.000 0.215 275 L C 3.076 179.911 176.870 -0.058 0.000 1.074 275 L CA 1.491 56.305 54.840 -0.044 0.000 0.760 275 L CB -0.753 41.297 42.059 -0.015 0.000 0.889 275 L HN 0.437 nan 8.230 nan 0.000 0.433 276 A N -0.179 122.602 122.820 -0.064 0.000 1.958 276 A HA -0.213 4.106 4.320 -0.001 0.000 0.221 276 A C 2.226 179.743 177.584 -0.110 0.000 1.178 276 A CA 1.870 53.865 52.037 -0.071 0.000 0.642 276 A CB -0.791 18.174 19.000 -0.060 0.000 0.816 276 A HN 0.433 nan 8.150 nan 0.000 0.453 277 L N -2.128 118.991 121.223 -0.174 0.000 2.554 277 L HA 0.196 4.536 4.340 -0.001 0.000 0.226 277 L C 1.611 178.394 176.870 -0.146 0.000 1.137 277 L CA 0.647 55.348 54.840 -0.231 0.000 0.863 277 L CB 0.168 42.006 42.059 -0.368 0.000 0.985 277 L HN 0.632 nan 8.230 nan 0.000 0.451 278 G N -1.034 107.703 108.800 -0.104 0.000 2.273 278 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.162 278 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.162 278 G C 0.187 175.050 174.900 -0.061 0.000 1.006 278 G CA -0.228 44.829 45.100 -0.072 0.000 0.704 278 G HN 0.316 nan 8.290 nan 0.000 0.487 279 A N 0.482 123.261 122.820 -0.069 0.000 2.363 279 A HA 0.610 4.930 4.320 -0.001 0.000 0.270 279 A C 1.105 178.655 177.584 -0.058 0.000 1.121 279 A CA 0.497 52.495 52.037 -0.064 0.000 0.800 279 A CB 0.494 19.452 19.000 -0.071 0.000 1.052 279 A HN 0.080 nan 8.150 nan 0.000 0.493 280 D N 0.663 121.023 120.400 -0.067 0.000 2.123 280 D HA 0.018 4.657 4.640 -0.001 0.000 0.200 280 D C 0.527 176.746 176.300 -0.135 0.000 0.976 280 D CA 1.358 55.309 54.000 -0.082 0.000 0.831 280 D CB 0.060 40.816 40.800 -0.073 0.000 0.974 280 D HN 0.339 nan 8.370 nan 0.000 0.469 281 L N 0.473 121.576 121.223 -0.200 0.000 2.327 281 L HA 0.352 4.691 4.340 -0.001 0.000 0.258 281 L C -0.555 176.215 176.870 -0.168 0.000 1.024 281 L CA -0.767 53.932 54.840 -0.234 0.000 0.825 281 L CB 2.187 43.956 42.059 -0.483 0.000 1.386 281 L HN -0.157 nan 8.230 nan 0.000 0.417 282 L N 0.518 121.653 121.223 -0.146 0.000 2.271 282 L HA 0.941 5.281 4.340 -0.001 0.000 0.265 282 L C -0.100 176.532 176.870 -0.396 0.000 1.013 282 L CA -1.047 53.688 54.840 -0.175 0.000 0.820 282 L CB 0.950 42.989 42.059 -0.033 0.000 1.352 282 L HN 0.717 nan 8.230 nan 0.000 0.443 283 A N 0.218 122.793 122.820 -0.407 0.000 2.491 283 A HA 0.690 5.009 4.320 -0.001 0.000 0.293 283 A C -1.393 175.985 177.584 -0.343 0.000 1.047 283 A CA -0.394 51.332 52.037 -0.519 0.000 0.735 283 A CB 1.313 20.151 19.000 -0.271 0.000 1.281 283 A HN 0.333 nan 8.150 nan 0.000 0.398 284 V N 1.741 121.400 119.914 -0.425 0.000 2.547 284 V HA 0.771 4.891 4.120 -0.001 0.000 0.299 284 V C 0.849 176.894 176.094 -0.081 0.000 1.040 284 V CA 0.523 62.762 62.300 -0.102 0.000 0.913 284 V CB 1.374 33.177 31.823 -0.032 0.000 0.992 284 V HN 1.408 nan 8.190 nan 0.000 0.449 285 A N 4.009 126.837 122.820 0.012 0.000 1.949 285 A HA 0.270 4.590 4.320 -0.001 0.000 0.200 285 A C 1.862 179.397 177.584 -0.082 0.000 2.254 285 A CA 0.542 52.567 52.037 -0.019 0.000 1.206 285 A CB -0.413 18.622 19.000 0.058 0.000 1.110 285 A HN 0.714 nan 8.150 nan 0.000 0.628 286 R N 0.492 120.987 120.500 -0.009 0.000 2.119 286 R HA -0.126 4.213 4.340 -0.001 0.000 0.246 286 R C -1.072 175.056 176.300 -0.287 0.000 1.146 286 R CA 2.423 58.467 56.100 -0.094 0.000 0.962 286 R CB -1.172 29.102 30.300 -0.042 0.000 0.863 286 R HN 0.386 nan 8.270 nan 0.000 0.442 287 P HA -0.123 nan 4.420 nan 0.000 0.220 287 P C 0.883 177.709 177.300 -0.790 0.000 1.148 287 P CA 0.752 63.469 63.100 -0.638 0.000 0.803 287 P CB 0.018 31.271 31.700 -0.744 0.000 0.782 288 L N -1.407 119.382 121.223 -0.722 0.000 2.131 288 L HA -0.122 4.217 4.340 -0.001 0.000 0.210 288 L C 2.213 178.880 176.870 -0.337 0.000 1.092 288 L CA 1.340 55.830 54.840 -0.584 0.000 0.759 288 L CB -1.936 39.913 42.059 -0.350 0.000 0.903 288 L HN -0.030 nan 8.230 nan 0.000 0.435 289 L N -0.397 120.680 121.223 -0.244 0.000 1.951 289 L HA -0.277 4.062 4.340 -0.001 0.000 0.222 289 L C 2.848 179.637 176.870 -0.134 0.000 1.078 289 L CA 1.904 56.658 54.840 -0.144 0.000 0.778 289 L CB -0.789 41.208 42.059 -0.103 0.000 0.893 289 L HN 0.253 nan 8.230 nan 0.000 0.436 290 R N -0.103 120.308 120.500 -0.148 0.000 2.113 290 R HA -0.163 4.177 4.340 -0.001 0.000 0.231 290 R C -0.422 175.822 176.300 -0.093 0.000 1.129 290 R CA 2.231 58.268 56.100 -0.105 0.000 0.915 290 R CB -2.043 28.201 30.300 -0.093 0.000 0.837 290 R HN 0.226 nan 8.270 nan 0.000 0.430 291 P HA -0.299 nan 4.420 nan 0.000 0.227 291 P C 0.779 178.042 177.300 -0.062 0.000 1.141 291 P CA 2.943 65.992 63.100 -0.085 0.000 0.964 291 P CB -0.494 31.108 31.700 -0.163 0.000 0.784 292 A N -1.914 120.856 122.820 -0.083 0.000 2.234 292 A HA -0.148 4.171 4.320 -0.001 0.000 0.216 292 A C 2.039 179.603 177.584 -0.034 0.000 1.167 292 A CA 1.091 53.098 52.037 -0.050 0.000 0.698 292 A CB -1.340 17.629 19.000 -0.052 0.000 0.779 292 A HN 0.130 nan 8.150 nan 0.000 0.475 293 L N -0.997 120.205 121.223 -0.036 0.000 1.960 293 L HA -0.123 4.217 4.340 -0.001 0.000 0.209 293 L C 2.219 179.080 176.870 -0.015 0.000 1.090 293 L CA 1.469 56.295 54.840 -0.023 0.000 0.759 293 L CB -1.120 40.925 42.059 -0.023 0.000 0.892 293 L HN 0.306 nan 8.230 nan 0.000 0.436 294 E N 0.758 120.952 120.200 -0.011 0.000 2.492 294 E HA 0.049 4.398 4.350 -0.001 0.000 0.204 294 E C 0.702 177.302 176.600 0.000 0.000 1.073 294 E CA 0.640 57.039 56.400 -0.002 0.000 0.887 294 E CB -0.610 29.094 29.700 0.006 0.000 0.813 294 E HN 0.587 nan 8.360 nan 0.000 0.562 295 G N -0.552 108.245 108.800 -0.004 0.000 2.999 295 G HA2 0.027 3.987 3.960 -0.001 0.000 0.686 295 G HA3 0.027 3.987 3.960 -0.001 0.000 0.686 295 G C 0.804 175.706 174.900 0.003 0.000 1.057 295 G CA -0.365 44.733 45.100 -0.003 0.000 0.784 295 G HN 0.683 nan 8.290 nan 0.000 0.575 296 A N 0.821 123.642 122.820 0.001 0.000 1.257 296 A HA -0.425 3.894 4.320 -0.001 0.000 0.399 296 A C 2.320 179.911 177.584 0.011 0.000 5.515 296 A CA 3.146 55.186 52.037 0.005 0.000 1.068 296 A CB -1.377 17.626 19.000 0.004 0.000 1.218 296 A HN 2.139 nan 8.150 nan 0.000 0.660 297 E N -0.358 119.849 120.200 0.012 0.000 2.019 297 E HA -0.257 4.092 4.350 -0.001 0.000 0.208 297 E C 2.190 178.808 176.600 0.030 0.000 1.030 297 E CA 1.982 58.392 56.400 0.016 0.000 0.856 297 E CB -0.441 29.267 29.700 0.014 0.000 0.781 297 E HN 0.633 nan 8.360 nan 0.000 0.471 298 R N 0.146 120.666 120.500 0.034 0.000 2.091 298 R HA -0.120 4.219 4.340 -0.001 0.000 0.238 298 R C 2.564 178.917 176.300 0.088 0.000 1.136 298 R CA 1.212 57.347 56.100 0.057 0.000 0.959 298 R CB -0.861 29.467 30.300 0.047 0.000 0.856 298 R HN 0.178 nan 8.270 nan 0.000 0.437 299 V N 1.005 120.951 119.914 0.053 0.000 2.250 299 V HA -0.342 3.777 4.120 -0.001 0.000 0.253 299 V C 2.490 178.651 176.094 0.111 0.000 1.065 299 V CA 2.301 64.635 62.300 0.057 0.000 1.039 299 V CB -0.856 30.974 31.823 0.010 0.000 0.647 299 V HN 0.437 nan 8.190 nan 0.000 0.446 300 A N -0.766 122.093 122.820 0.065 0.000 2.014 300 A HA 0.115 4.434 4.320 -0.001 0.000 0.218 300 A C 2.368 179.990 177.584 0.063 0.000 1.163 300 A CA 1.588 53.649 52.037 0.041 0.000 0.652 300 A CB -0.580 18.425 19.000 0.008 0.000 0.808 300 A HN 0.595 nan 8.150 nan 0.000 0.449 301 A N -1.152 121.718 122.820 0.084 0.000 1.902 301 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 301 A C 1.977 179.625 177.584 0.107 0.000 1.181 301 A CA 1.465 53.545 52.037 0.071 0.000 0.623 301 A CB -0.841 18.199 19.000 0.067 0.000 0.818 301 A HN 0.797 nan 8.150 nan 0.000 0.443 302 W N 0.714 122.012 121.300 -0.003 0.000 2.380 302 W HA -0.144 4.516 4.660 -0.001 0.000 0.317 302 W C 1.995 178.526 176.519 0.021 0.000 1.196 302 W CA 2.001 59.360 57.345 0.023 0.000 1.307 302 W CB -0.156 29.317 29.460 0.022 0.000 1.157 302 W HN 0.275 nan 8.180 nan 0.000 0.483 303 I N 0.509 121.313 120.570 0.389 0.000 2.335 303 I HA -0.234 3.936 4.170 -0.001 0.000 0.251 303 I C 2.421 178.513 176.117 -0.042 0.000 1.129 303 I CA 1.598 62.949 61.300 0.084 0.000 1.402 303 I CB -1.667 36.182 38.000 -0.252 0.000 1.069 303 I HN 0.224 nan 8.210 nan 0.000 0.424 304 G N 0.549 109.339 108.800 -0.017 0.000 2.403 304 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.216 304 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.216 304 G C 1.453 176.333 174.900 -0.034 0.000 1.154 304 G CA 0.719 45.796 45.100 -0.038 0.000 0.784 304 G HN 0.377 nan 8.290 nan 0.000 0.538 305 D N -0.225 120.142 120.400 -0.054 0.000 2.091 305 D HA -0.166 4.473 4.640 -0.001 0.000 0.199 305 D C 1.976 178.212 176.300 -0.105 0.000 0.980 305 D CA 0.668 54.607 54.000 -0.102 0.000 0.831 305 D CB -0.335 40.364 40.800 -0.168 0.000 0.987 305 D HN 0.312 nan 8.370 nan 0.000 0.460 306 Y N 1.371 121.507 120.300 -0.273 0.000 2.062 306 Y HA -0.283 4.266 4.550 -0.000 0.000 0.273 306 Y C 2.503 178.365 175.900 -0.063 0.000 1.206 306 Y CA 1.856 59.843 58.100 -0.187 0.000 1.125 306 Y CB -0.409 37.981 38.460 -0.116 0.000 0.951 306 Y HN 0.008 nan 8.280 nan 0.000 0.501 307 L N 0.058 121.388 121.223 0.179 0.000 2.131 307 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 307 L C 2.523 179.414 176.870 0.034 0.000 1.092 307 L CA 1.788 56.712 54.840 0.139 0.000 0.759 307 L CB -0.575 41.501 42.059 0.029 0.000 0.903 307 L HN 0.486 nan 8.230 nan 0.000 0.435 308 E N 0.552 120.742 120.200 -0.017 0.000 2.011 308 E HA -0.254 4.095 4.350 -0.001 0.000 0.191 308 E C 1.807 178.371 176.600 -0.060 0.000 0.980 308 E CA 0.924 57.299 56.400 -0.042 0.000 0.814 308 E CB -0.143 29.526 29.700 -0.052 0.000 0.775 308 E HN 0.374 nan 8.360 nan 0.000 0.454 309 E N 0.290 120.431 120.200 -0.098 0.000 2.181 309 E HA -0.297 4.052 4.350 -0.001 0.000 0.225 309 E C 2.340 178.864 176.600 -0.126 0.000 1.073 309 E CA 2.189 58.509 56.400 -0.133 0.000 0.916 309 E CB -0.376 29.195 29.700 -0.215 0.000 0.793 309 E HN 0.280 nan 8.360 nan 0.000 0.472 310 L N 1.233 122.362 121.223 -0.158 0.000 2.013 310 L HA -0.234 4.105 4.340 -0.001 0.000 0.212 310 L C 2.584 179.453 176.870 -0.001 0.000 1.073 310 L CA 2.263 57.051 54.840 -0.085 0.000 0.753 310 L CB -0.548 41.504 42.059 -0.013 0.000 0.890 310 L HN 0.102 nan 8.230 nan 0.000 0.432 311 R N -1.129 119.378 120.500 0.011 0.000 2.080 311 R HA -0.183 4.157 4.340 -0.001 0.000 0.236 311 R C 2.091 178.438 176.300 0.078 0.000 1.137 311 R CA 2.362 58.481 56.100 0.032 0.000 0.943 311 R CB -0.612 29.686 30.300 -0.003 0.000 0.846 311 R HN 0.516 nan 8.270 nan 0.000 0.431 312 T N 0.744 115.334 114.554 0.060 0.000 2.684 312 T HA -0.183 4.167 4.350 -0.001 0.000 0.267 312 T C 1.874 176.723 174.700 0.249 0.000 1.036 312 T CA 1.477 63.679 62.100 0.169 0.000 1.148 312 T CB -0.443 68.479 68.868 0.090 0.000 0.863 312 T HN 0.457 nan 8.240 nan 0.000 0.436 313 A N 1.379 124.264 122.820 0.109 0.000 1.873 313 A HA -0.072 4.247 4.320 -0.001 0.000 0.218 313 A C 2.346 179.989 177.584 0.099 0.000 1.193 313 A CA 1.525 53.606 52.037 0.073 0.000 0.629 313 A CB -1.119 17.887 19.000 0.010 0.000 0.826 313 A HN 0.471 nan 8.150 nan 0.000 0.447 314 L N -1.956 119.329 121.223 0.103 0.000 2.187 314 L HA -0.188 4.152 4.340 -0.001 0.000 0.213 314 L C 2.406 179.366 176.870 0.150 0.000 1.100 314 L CA 1.674 56.575 54.840 0.103 0.000 0.765 314 L CB -0.324 41.791 42.059 0.093 0.000 0.904 314 L HN 0.639 nan 8.230 nan 0.000 0.437 315 F N -0.047 119.920 119.950 0.028 0.000 2.188 315 F HA 0.058 4.585 4.527 -0.000 0.000 0.289 315 F C 2.386 178.224 175.800 0.063 0.000 1.082 315 F CA 0.841 58.861 58.000 0.033 0.000 1.282 315 F CB -0.591 38.426 39.000 0.028 0.000 1.060 315 F HN -0.063 nan 8.300 nan 0.000 0.493 316 A N 0.724 123.471 122.820 -0.123 0.000 1.958 316 A HA -0.240 4.080 4.320 -0.001 0.000 0.221 316 A C 2.155 179.748 177.584 0.014 0.000 1.178 316 A CA 2.223 54.225 52.037 -0.058 0.000 0.642 316 A CB -1.410 17.671 19.000 0.135 0.000 0.816 316 A HN 0.504 nan 8.150 nan 0.000 0.453 317 I N -1.184 119.396 120.570 0.016 0.000 3.111 317 I HA 0.130 4.300 4.170 -0.001 0.000 0.272 317 I C 1.475 177.557 176.117 -0.060 0.000 1.268 317 I CA 1.243 62.545 61.300 0.004 0.000 1.467 317 I CB -0.085 37.933 38.000 0.030 0.000 1.087 317 I HN 0.543 nan 8.210 nan 0.000 0.467 318 G N 0.761 109.502 108.800 -0.098 0.000 2.171 318 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.238 318 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.238 318 G C 0.233 175.118 174.900 -0.025 0.000 1.039 318 G CA 0.049 45.088 45.100 -0.101 0.000 0.759 318 G HN 0.774 nan 8.290 nan 0.000 0.501 319 A N -0.597 122.234 122.820 0.018 0.000 2.291 319 A HA 0.843 5.162 4.320 -0.001 0.000 0.311 319 A C 1.018 178.639 177.584 0.062 0.000 1.224 319 A CA 0.027 52.083 52.037 0.033 0.000 0.821 319 A CB 0.827 19.845 19.000 0.030 0.000 1.172 319 A HN 0.290 nan 8.150 nan 0.000 0.494 320 R N 1.162 121.693 120.500 0.053 0.000 2.091 320 R HA -0.127 4.213 4.340 -0.001 0.000 0.238 320 R C 0.549 176.886 176.300 0.061 0.000 1.136 320 R CA 2.371 58.508 56.100 0.063 0.000 0.959 320 R CB -0.135 30.192 30.300 0.045 0.000 0.856 320 R HN 0.993 nan 8.270 nan 0.000 0.437 321 N N -4.024 114.705 118.700 0.049 0.000 3.039 321 N HA 0.250 4.990 4.740 -0.001 0.000 0.257 321 N C -2.630 172.903 175.510 0.039 0.000 1.497 321 N CA -1.372 51.705 53.050 0.044 0.000 0.861 321 N CB 1.342 39.851 38.487 0.037 0.000 1.479 321 N HN -0.387 nan 8.380 nan 0.000 0.547 322 P HA -0.034 nan 4.420 nan 0.000 0.221 322 P C 0.682 177.994 177.300 0.019 0.000 1.150 322 P CA 0.956 64.074 63.100 0.030 0.000 0.800 322 P CB 0.198 31.916 31.700 0.030 0.000 0.787 323 K N -0.008 120.404 120.400 0.020 0.000 2.442 323 K HA -0.070 4.250 4.320 -0.001 0.000 0.198 323 K C 1.504 178.113 176.600 0.015 0.000 1.042 323 K CA 0.828 57.125 56.287 0.017 0.000 0.958 323 K CB -0.151 32.363 32.500 0.023 0.000 0.766 323 K HN 0.350 nan 8.250 nan 0.000 0.474 324 E N -0.456 119.755 120.200 0.018 0.000 2.474 324 E HA 0.038 4.388 4.350 -0.001 0.000 0.194 324 E C 1.241 177.846 176.600 0.010 0.000 1.041 324 E CA -0.009 56.401 56.400 0.015 0.000 0.874 324 E CB 0.373 30.085 29.700 0.020 0.000 0.914 324 E HN 0.176 nan 8.360 nan 0.000 0.498 325 A N 1.210 124.034 122.820 0.008 0.000 2.178 325 A HA 0.019 4.339 4.320 -0.001 0.000 0.211 325 A C 1.303 178.880 177.584 -0.012 0.000 1.157 325 A CA -0.175 51.861 52.037 -0.000 0.000 0.780 325 A CB -0.086 18.915 19.000 0.002 0.000 0.828 325 A HN -0.009 nan 8.150 nan 0.000 0.476 326 R N 0.185 120.677 120.500 -0.012 0.000 2.481 326 R HA 0.229 4.569 4.340 -0.001 0.000 0.291 326 R C 1.258 177.548 176.300 -0.016 0.000 0.934 326 R CA 1.431 57.519 56.100 -0.020 0.000 1.116 326 R CB -0.579 29.715 30.300 -0.010 0.000 0.895 326 R HN 0.952 nan 8.270 nan 0.000 0.410 327 G N 4.169 112.955 108.800 -0.023 0.000 2.268 327 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.240 327 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.240 327 G C 0.377 175.275 174.900 -0.003 0.000 1.010 327 G CA 0.268 45.361 45.100 -0.011 0.000 0.618 327 G HN 0.615 nan 8.290 nan 0.000 0.516 328 R N 0.300 120.797 120.500 -0.005 0.000 3.732 328 R HA 0.544 4.884 4.340 -0.001 0.000 0.258 328 R C -0.189 176.124 176.300 0.022 0.000 1.661 328 R CA 0.450 56.553 56.100 0.006 0.000 1.424 328 R CB 0.489 30.790 30.300 0.002 0.000 1.308 328 R HN 0.330 nan 8.270 nan 0.000 0.634 329 V N 0.359 120.297 119.914 0.039 0.000 3.216 329 V HA 0.370 4.490 4.120 -0.001 0.000 0.302 329 V C -1.514 174.667 176.094 0.145 0.000 1.286 329 V CA -0.741 61.609 62.300 0.083 0.000 1.048 329 V CB 2.786 34.620 31.823 0.017 0.000 1.081 329 V HN 0.556 nan 8.190 nan 0.000 0.442 330 E N 2.370 122.715 120.200 0.242 0.000 2.429 330 E HA 0.558 4.908 4.350 -0.001 0.000 0.280 330 E C -1.410 175.294 176.600 0.173 0.000 1.068 330 E CA -1.222 55.311 56.400 0.222 0.000 0.837 330 E CB 1.446 31.201 29.700 0.092 0.000 1.357 330 E HN 0.422 nan 8.360 nan 0.000 0.455 331 R N 0.958 121.434 120.500 -0.040 0.000 2.502 331 R HA 0.169 4.509 4.340 -0.001 0.000 0.292 331 R C -0.039 176.138 176.300 -0.205 0.000 0.998 331 R CA 0.138 56.042 56.100 -0.326 0.000 1.056 331 R CB 0.366 30.528 30.300 -0.230 0.000 0.939 331 R HN 0.402 nan 8.270 nan 0.000 0.411 332 V N 0.000 119.761 119.914 -0.256 0.000 2.409 332 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 332 V CA 0.000 62.213 62.300 -0.146 0.000 1.235 332 V CB 0.000 31.745 31.823 -0.129 0.000 1.184 332 V HN 0.000 nan 8.190 nan 0.000 0.556