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 1h14_1_A DATA FIRST_RESID 1 DATA SEQUENCE AFNNNPSSVG AYSSGTYRNL AQEMGKTNIQ QKVNSTFDNM FGYNNTQQLY DATA SEQUENCE YPYTENGVYK AHYIKAINPD EGDDIRTEGQ SWGMTAAVML NKQEEFDNLW DATA SEQUENCE RFAKAYQKNP DNHPDAKKQG VYAWKLKLNQ NGFVYKVDEG PAPNGEEYFA DATA SEQUENCE FALLNASARW GNSGEFNYYN DAITMLNTIK NKLMENQIIR FSPYIDNLTD DATA SEQUENCE PSYHIPAFYD YFANNVTNQA DKNYWRQVAT KSRTLLKNHF TKVSGSPHWN DATA SEQUENCE LPTFLSRLDG SPVIGYIFNG QANPGQWYEF DAWRVIMNVG LDAHLMGAQA DATA SEQUENCE WHKSAVNKAL GFLSYAKTNN SKNcYEQVYS YGGAQNRGcA GEGQKAANAV DATA SEQUENCE ALLASTNAGQ ANEFFNEFWS LSQPTGDYRY YNGSLYMLAM LHVSGNFKFY DATA SEQUENCE NNTF 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.583 177.584 -0.001 0.000 1.274 1 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 1 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 2 F N 2.147 122.024 119.950 -0.123 0.000 2.602 2 F HA 0.298 5.352 4.527 0.878 0.000 0.385 2 F C 0.737 176.470 175.800 -0.112 0.000 1.063 2 F CA 0.243 58.162 58.000 -0.134 0.000 1.233 2 F CB 0.450 39.381 39.000 -0.116 0.000 1.067 2 F HN 0.590 nan 8.300 nan 0.000 0.564 3 N N 5.742 123.971 118.700 -0.785 0.000 2.448 3 N HA -0.030 5.230 4.740 0.868 0.000 0.250 3 N C 0.380 175.216 175.510 -1.123 0.000 1.136 3 N CA -0.159 52.465 53.050 -0.710 0.000 0.953 3 N CB -0.264 37.928 38.487 -0.492 0.000 1.251 3 N HN 0.691 nan 8.380 nan 0.000 0.502 4 N N 2.244 120.512 118.700 -0.719 0.000 2.362 4 N HA -0.047 5.214 4.740 0.868 0.000 0.204 4 N C -0.560 174.800 175.510 -0.249 0.000 1.166 4 N CA 0.006 52.794 53.050 -0.437 0.000 0.831 4 N CB -0.142 38.322 38.487 -0.038 0.000 1.008 4 N HN 0.306 nan 8.380 nan 0.000 0.472 5 N N 1.385 119.919 118.700 -0.277 0.000 2.723 5 N HA 0.271 5.531 4.740 0.868 0.000 0.290 5 N C -2.845 172.543 175.510 -0.203 0.000 1.882 5 N CA -1.562 51.376 53.050 -0.187 0.000 0.851 5 N CB 0.845 39.247 38.487 -0.142 0.000 1.234 5 N HN 0.072 nan 8.380 nan 0.000 0.491 6 P HA 0.021 nan 4.420 nan 0.000 0.266 6 P C 0.104 177.300 177.300 -0.172 0.000 1.195 6 P CA 0.035 63.006 63.100 -0.215 0.000 0.768 6 P CB 0.887 32.452 31.700 -0.225 0.000 0.838 7 S N 1.437 117.044 115.700 -0.155 0.000 2.560 7 S HA 0.042 5.032 4.470 0.868 0.000 0.284 7 S C 1.604 176.124 174.600 -0.133 0.000 1.327 7 S CA 0.083 58.205 58.200 -0.129 0.000 1.055 7 S CB -0.039 63.092 63.200 -0.115 0.000 0.868 7 S HN 0.530 nan 8.310 nan 0.000 0.506 8 S N 3.124 118.761 115.700 -0.105 0.000 2.515 8 S HA 0.065 5.055 4.470 0.868 0.000 0.231 8 S C 0.374 174.926 174.600 -0.081 0.000 0.987 8 S CA -0.074 58.071 58.200 -0.091 0.000 0.936 8 S CB -0.245 62.923 63.200 -0.054 0.000 0.766 8 S HN 0.453 nan 8.310 nan 0.000 0.528 9 V N 2.035 121.897 119.914 -0.087 0.000 2.394 9 V HA 0.678 5.319 4.120 0.868 0.000 0.282 9 V C 0.986 177.012 176.094 -0.114 0.000 1.031 9 V CA -0.508 61.744 62.300 -0.081 0.000 0.881 9 V CB 0.921 32.699 31.823 -0.075 0.000 0.982 9 V HN 0.428 nan 8.190 nan 0.000 0.451 10 G N 2.649 111.382 108.800 -0.112 0.000 2.537 10 G HA2 0.456 4.937 3.960 0.868 0.000 0.273 10 G HA3 0.456 4.937 3.960 0.868 0.000 0.273 10 G C 1.048 175.801 174.900 -0.245 0.000 1.189 10 G CA 0.110 45.108 45.100 -0.171 0.000 0.881 10 G HN 1.001 nan 8.290 nan 0.000 0.535 11 A N 0.416 122.967 122.820 -0.449 0.000 1.978 11 A HA -0.149 4.692 4.320 0.868 0.000 0.220 11 A C 2.011 179.289 177.584 -0.509 0.000 1.170 11 A CA 1.824 53.423 52.037 -0.730 0.000 0.636 11 A CB -0.648 17.427 19.000 -1.542 0.000 0.810 11 A HN 0.776 nan 8.150 nan 0.000 0.448 12 Y N 0.748 120.766 120.300 -0.470 0.000 2.224 12 Y HA -0.138 4.933 4.550 0.868 0.000 0.289 12 Y C 2.863 178.713 175.900 -0.084 0.000 1.146 12 Y CA 1.266 59.244 58.100 -0.202 0.000 1.182 12 Y CB -0.639 37.760 38.460 -0.102 0.000 0.983 12 Y HN 0.359 nan 8.280 nan 0.000 0.524 13 S N -1.284 114.362 115.700 -0.090 0.000 2.406 13 S HA -0.077 4.913 4.470 0.868 0.000 0.224 13 S C 2.171 176.704 174.600 -0.112 0.000 1.030 13 S CA 1.136 59.251 58.200 -0.141 0.000 0.958 13 S CB -0.653 62.489 63.200 -0.098 0.000 0.811 13 S HN 0.585 nan 8.310 nan 0.000 0.489 14 S N -0.416 115.211 115.700 -0.123 0.000 2.478 14 S HA 0.350 5.340 4.470 0.868 0.000 0.222 14 S C 1.765 176.314 174.600 -0.086 0.000 1.008 14 S CA 0.990 59.129 58.200 -0.102 0.000 0.928 14 S CB -0.451 62.680 63.200 -0.115 0.000 0.781 14 S HN 1.325 nan 8.310 nan 0.000 0.518 15 G N 0.689 109.425 108.800 -0.106 0.000 2.179 15 G HA2 -0.236 4.244 3.960 0.868 0.000 0.260 15 G HA3 -0.236 4.244 3.960 0.868 0.000 0.260 15 G C 0.177 175.063 174.900 -0.023 0.000 0.977 15 G CA 0.451 45.535 45.100 -0.027 0.000 0.641 15 G HN 0.661 nan 8.290 nan 0.000 0.533 16 T N 1.386 115.863 114.554 -0.128 0.000 2.727 16 T HA 0.535 5.406 4.350 0.868 0.000 0.298 16 T C -0.560 174.034 174.700 -0.176 0.000 0.942 16 T CA -0.070 61.986 62.100 -0.074 0.000 0.997 16 T CB 0.653 69.476 68.868 -0.075 0.000 0.917 16 T HN 0.228 nan 8.240 nan 0.000 0.487 17 Y N 2.401 122.701 120.300 -0.000 0.000 2.320 17 Y HA 0.394 5.464 4.550 0.866 0.000 0.334 17 Y C 1.227 177.231 175.900 0.174 0.000 1.055 17 Y CA -1.049 57.106 58.100 0.092 0.000 1.143 17 Y CB 0.876 39.359 38.460 0.039 0.000 1.193 17 Y HN 0.408 nan 8.280 nan 0.000 0.477 18 R N 1.841 122.601 120.500 0.433 0.000 2.694 18 R HA 0.077 4.938 4.340 0.868 0.000 0.268 18 R C -0.165 176.175 176.300 0.066 0.000 1.061 18 R CA -0.254 55.894 56.100 0.081 0.000 1.133 18 R CB 0.321 30.506 30.300 -0.191 0.000 1.020 18 R HN 0.507 nan 8.270 nan 0.000 0.475 19 N N 2.949 121.646 118.700 -0.005 0.000 2.706 19 N HA 0.020 5.280 4.740 0.868 0.000 0.240 19 N C 0.255 175.705 175.510 -0.100 0.000 1.039 19 N CA -0.215 52.829 53.050 -0.011 0.000 0.888 19 N CB 0.996 39.485 38.487 0.003 0.000 1.128 19 N HN 0.473 nan 8.380 nan 0.000 0.512 20 L N 4.185 125.332 121.223 -0.128 0.000 2.046 20 L HA 0.047 4.908 4.340 0.868 0.000 0.208 20 L C 1.977 178.583 176.870 -0.440 0.000 1.077 20 L CA 2.113 56.813 54.840 -0.233 0.000 0.747 20 L CB -0.576 41.379 42.059 -0.173 0.000 0.896 20 L HN 0.549 nan 8.230 nan 0.000 0.432 21 A N -1.146 121.447 122.820 -0.379 0.000 1.972 21 A HA -0.269 4.571 4.320 0.868 0.000 0.219 21 A C 2.323 179.644 177.584 -0.438 0.000 1.169 21 A CA 1.779 53.466 52.037 -0.583 0.000 0.635 21 A CB -0.634 18.109 19.000 -0.429 0.000 0.810 21 A HN 0.688 nan 8.150 nan 0.000 0.446 22 Q N -0.323 119.329 119.800 -0.247 0.000 2.083 22 Q HA -0.174 4.686 4.340 0.868 0.000 0.198 22 Q C 1.812 177.706 176.000 -0.177 0.000 0.969 22 Q CA 1.431 57.134 55.803 -0.166 0.000 0.838 22 Q CB -0.155 28.530 28.738 -0.089 0.000 0.900 22 Q HN 0.766 nan 8.270 nan 0.000 0.436 23 E N -0.158 119.927 120.200 -0.191 0.000 2.171 23 E HA -0.188 4.682 4.350 0.868 0.000 0.197 23 E C 1.360 177.853 176.600 -0.179 0.000 0.997 23 E CA 0.991 57.294 56.400 -0.161 0.000 0.810 23 E CB 0.043 29.655 29.700 -0.146 0.000 0.738 23 E HN 0.413 nan 8.360 nan 0.000 0.467 24 M N -0.725 118.686 119.600 -0.316 0.000 2.505 24 M HA 0.169 5.169 4.480 0.868 0.000 0.230 24 M C 1.038 177.211 176.300 -0.210 0.000 1.153 24 M CA 0.468 55.586 55.300 -0.303 0.000 0.997 24 M CB 0.260 32.488 32.600 -0.621 0.000 1.606 24 M HN 0.240 nan 8.290 nan 0.000 0.481 25 G N 1.012 109.705 108.800 -0.178 0.000 2.136 25 G HA2 -0.212 4.269 3.960 0.868 0.000 0.242 25 G HA3 -0.212 4.269 3.960 0.868 0.000 0.242 25 G C 0.182 175.018 174.900 -0.106 0.000 0.989 25 G CA -0.015 45.020 45.100 -0.109 0.000 0.682 25 G HN 0.319 nan 8.290 nan 0.000 0.522 26 K N 0.854 121.140 120.400 -0.190 0.000 2.107 26 K HA 0.675 5.515 4.320 0.868 0.000 0.251 26 K C 0.893 177.484 176.600 -0.014 0.000 1.012 26 K CA 0.462 56.662 56.287 -0.145 0.000 0.920 26 K CB 0.890 33.090 32.500 -0.502 0.000 1.033 26 K HN 0.587 nan 8.250 nan 0.000 0.478 27 T N -1.751 112.870 114.554 0.111 0.000 2.930 27 T HA 0.348 5.219 4.350 0.868 0.000 0.290 27 T C -0.032 174.793 174.700 0.208 0.000 1.052 27 T CA -0.881 61.295 62.100 0.126 0.000 1.017 27 T CB 0.923 69.850 68.868 0.099 0.000 1.137 27 T HN 0.497 nan 8.240 nan 0.000 0.511 28 N N -0.066 118.726 118.700 0.154 0.000 2.727 28 N HA -0.140 5.120 4.740 0.868 0.000 0.249 28 N C 0.764 176.411 175.510 0.229 0.000 1.048 28 N CA 0.645 53.790 53.050 0.157 0.000 0.714 28 N CB -1.458 37.111 38.487 0.136 0.000 0.959 28 N HN 0.756 nan 8.380 nan 0.000 0.544 29 I N 0.227 120.944 120.570 0.245 0.000 2.163 29 I HA -0.269 4.421 4.170 0.868 0.000 0.240 29 I C 2.239 178.511 176.117 0.258 0.000 1.081 29 I CA 1.140 62.646 61.300 0.344 0.000 1.353 29 I CB -0.097 38.045 38.000 0.238 0.000 1.054 29 I HN 0.159 nan 8.210 nan 0.000 0.407 30 Q N 0.477 120.375 119.800 0.163 0.000 2.119 30 Q HA -0.212 4.649 4.340 0.868 0.000 0.201 30 Q C 2.461 178.524 176.000 0.106 0.000 0.972 30 Q CA 2.006 57.882 55.803 0.122 0.000 0.847 30 Q CB -0.856 27.930 28.738 0.080 0.000 0.903 30 Q HN 0.704 nan 8.270 nan 0.000 0.433 31 Q N 1.686 121.546 119.800 0.100 0.000 2.096 31 Q HA -0.202 4.658 4.340 0.868 0.000 0.204 31 Q C 1.934 177.982 176.000 0.079 0.000 0.982 31 Q CA 2.222 58.072 55.803 0.079 0.000 0.850 31 Q CB -0.670 28.109 28.738 0.068 0.000 0.901 31 Q HN 0.475 nan 8.270 nan 0.000 0.422 32 K N -0.542 119.913 120.400 0.093 0.000 2.057 32 K HA -0.058 4.783 4.320 0.868 0.000 0.206 32 K C 2.121 178.764 176.600 0.071 0.000 1.050 32 K CA 1.224 57.533 56.287 0.037 0.000 0.935 32 K CB -0.252 32.213 32.500 -0.058 0.000 0.715 32 K HN 0.325 nan 8.250 nan 0.000 0.439 33 V N 2.190 122.178 119.914 0.123 0.000 2.287 33 V HA -0.284 4.357 4.120 0.868 0.000 0.248 33 V C 1.909 178.086 176.094 0.138 0.000 1.053 33 V CA 2.016 64.399 62.300 0.139 0.000 1.027 33 V CB -0.643 31.267 31.823 0.145 0.000 0.646 33 V HN 0.420 nan 8.190 nan 0.000 0.447 34 N N 0.189 118.952 118.700 0.106 0.000 2.142 34 N HA -0.107 5.154 4.740 0.868 0.000 0.186 34 N C 2.057 177.649 175.510 0.137 0.000 1.023 34 N CA 1.722 54.831 53.050 0.099 0.000 0.852 34 N CB -0.458 38.061 38.487 0.053 0.000 0.998 34 N HN 0.397 nan 8.380 nan 0.000 0.424 35 S N -0.052 115.711 115.700 0.106 0.000 2.423 35 S HA -0.044 4.946 4.470 0.868 0.000 0.231 35 S C 1.944 176.620 174.600 0.126 0.000 1.014 35 S CA 0.995 59.254 58.200 0.098 0.000 0.965 35 S CB -0.322 62.911 63.200 0.056 0.000 0.785 35 S HN 0.393 nan 8.310 nan 0.000 0.495 36 T N 1.801 116.449 114.554 0.157 0.000 2.674 36 T HA -0.079 4.792 4.350 0.868 0.000 0.265 36 T C 1.407 176.244 174.700 0.229 0.000 1.039 36 T CA 1.267 63.490 62.100 0.206 0.000 1.150 36 T CB -0.450 68.572 68.868 0.257 0.000 0.864 36 T HN 0.419 nan 8.240 nan 0.000 0.427 37 F N 2.325 122.354 119.950 0.131 0.000 2.095 37 F HA -0.150 4.897 4.527 0.867 0.000 0.298 37 F C 2.002 177.899 175.800 0.161 0.000 1.104 37 F CA 1.495 59.580 58.000 0.141 0.000 1.232 37 F CB -0.347 38.644 39.000 -0.016 0.000 0.987 37 F HN 0.063 nan 8.300 nan 0.000 0.475 38 D N 0.049 120.616 120.400 0.279 0.000 2.149 38 D HA -0.183 4.978 4.640 0.868 0.000 0.198 38 D C 1.861 178.205 176.300 0.073 0.000 0.990 38 D CA 1.234 55.334 54.000 0.167 0.000 0.839 38 D CB -0.498 40.380 40.800 0.129 0.000 0.948 38 D HN 0.331 nan 8.370 nan 0.000 0.460 39 N N -0.042 118.698 118.700 0.066 0.000 2.300 39 N HA -0.043 5.217 4.740 0.868 0.000 0.179 39 N C 1.778 177.289 175.510 0.001 0.000 1.016 39 N CA 0.265 53.333 53.050 0.030 0.000 0.876 39 N CB -0.228 38.275 38.487 0.027 0.000 0.979 39 N HN 0.258 nan 8.380 nan 0.000 0.432 40 M N -0.748 118.851 119.600 -0.001 0.000 2.254 40 M HA 0.008 5.008 4.480 0.868 0.000 0.265 40 M C -0.038 176.102 176.300 -0.266 0.000 1.066 40 M CA 1.379 56.619 55.300 -0.099 0.000 1.123 40 M CB 0.119 32.685 32.600 -0.056 0.000 1.388 40 M HN -0.110 nan 8.290 nan 0.000 0.425 41 F N 0.349 120.076 119.950 -0.372 0.000 2.837 41 F HA 0.443 5.490 4.527 0.867 0.000 0.298 41 F C 0.741 176.433 175.800 -0.181 0.000 1.161 41 F CA -0.483 57.264 58.000 -0.422 0.000 1.353 41 F CB 0.094 38.517 39.000 -0.962 0.000 0.951 41 F HN 0.020 nan 8.300 nan 0.000 0.508 42 G N -1.386 107.431 108.800 0.028 0.000 2.519 42 G HA2 0.380 4.860 3.960 0.868 0.000 0.307 42 G HA3 0.380 4.860 3.960 0.868 0.000 0.307 42 G C -1.363 173.589 174.900 0.086 0.000 1.266 42 G CA -0.406 44.681 45.100 -0.020 0.000 0.970 42 G HN -0.028 nan 8.290 nan 0.000 0.481 43 Y N 1.604 121.893 120.300 -0.018 0.000 2.735 43 Y HA 0.128 5.198 4.550 0.867 0.000 0.354 43 Y C 1.267 177.134 175.900 -0.055 0.000 1.288 43 Y CA -1.610 56.445 58.100 -0.075 0.000 1.836 43 Y CB -0.286 38.151 38.460 -0.039 0.000 1.920 43 Y HN 0.705 nan 8.280 nan 0.000 0.438 44 N N -1.248 117.501 118.700 0.082 0.000 2.227 44 N HA 0.000 5.261 4.740 0.868 0.000 0.196 44 N C 0.433 175.967 175.510 0.040 0.000 1.142 44 N CA 0.074 53.154 53.050 0.050 0.000 0.887 44 N CB -0.072 38.434 38.487 0.032 0.000 1.022 44 N HN 0.309 nan 8.380 nan 0.000 0.500 45 N N -0.906 117.816 118.700 0.037 0.000 2.693 45 N HA -0.227 5.034 4.740 0.868 0.000 0.249 45 N C -0.557 174.995 175.510 0.070 0.000 1.119 45 N CA 1.154 54.255 53.050 0.086 0.000 0.717 45 N CB -0.543 37.998 38.487 0.091 0.000 1.071 45 N HN 0.488 nan 8.380 nan 0.000 0.555 46 T N -0.586 113.996 114.554 0.046 0.000 3.447 46 T HA 0.062 4.933 4.350 0.868 0.000 0.218 46 T C 1.362 176.077 174.700 0.024 0.000 0.972 46 T CA 0.340 62.457 62.100 0.028 0.000 1.264 46 T CB -0.086 68.791 68.868 0.014 0.000 1.284 46 T HN 0.041 nan 8.240 nan 0.000 0.361 47 Q N 1.295 121.101 119.800 0.009 0.000 2.389 47 Q HA 0.222 5.083 4.340 0.868 0.000 0.204 47 Q C 0.972 176.980 176.000 0.014 0.000 0.944 47 Q CA 0.149 55.952 55.803 0.000 0.000 0.908 47 Q CB -0.050 28.677 28.738 -0.018 0.000 1.002 47 Q HN 0.480 nan 8.270 nan 0.000 0.493 48 Q N 0.561 120.367 119.800 0.009 0.000 2.304 48 Q HA -0.051 4.810 4.340 0.868 0.000 0.301 48 Q C -0.006 176.028 176.000 0.056 0.000 1.063 48 Q CA 0.535 56.311 55.803 -0.045 0.000 0.947 48 Q CB 0.427 29.083 28.738 -0.136 0.000 1.201 48 Q HN 0.377 nan 8.270 nan 0.000 0.389 49 L N 3.818 125.029 121.223 -0.020 0.000 2.993 49 L HA 0.206 5.066 4.340 0.868 0.000 0.264 49 L C -0.272 176.665 176.870 0.112 0.000 1.154 49 L CA -0.318 54.605 54.840 0.138 0.000 0.972 49 L CB 0.540 42.637 42.059 0.063 0.000 1.373 49 L HN 0.662 nan 8.230 nan 0.000 0.564 50 Y N 0.703 120.799 120.300 -0.341 0.000 2.367 50 Y HA 0.436 5.506 4.550 0.867 0.000 0.342 50 Y C -1.128 174.619 175.900 -0.256 0.000 0.979 50 Y CA -0.474 57.451 58.100 -0.291 0.000 1.161 50 Y CB 0.377 38.525 38.460 -0.520 0.000 1.155 50 Y HN -0.108 nan 8.280 nan 0.000 0.503 51 Y N 7.282 127.305 120.300 -0.461 0.000 2.462 51 Y HA 0.447 5.517 4.550 0.867 0.000 0.346 51 Y C -2.350 173.080 175.900 -0.782 0.000 0.976 51 Y CA -2.751 54.989 58.100 -0.600 0.000 1.044 51 Y CB 1.997 39.989 38.460 -0.779 0.000 1.230 51 Y HN 0.524 nan 8.280 nan 0.000 0.455 52 P HA 0.045 nan 4.420 nan 0.000 0.275 52 P C -1.399 175.830 177.300 -0.118 0.000 1.228 52 P CA -0.042 62.651 63.100 -0.679 0.000 0.786 52 P CB 1.107 32.535 31.700 -0.453 0.000 0.927 53 Y N 2.503 122.763 120.300 -0.066 0.000 2.328 53 Y HA 0.472 5.542 4.550 0.868 0.000 0.336 53 Y C -0.303 175.571 175.900 -0.043 0.000 0.960 53 Y CA -0.262 57.894 58.100 0.093 0.000 1.134 53 Y CB 1.096 39.744 38.460 0.312 0.000 1.166 53 Y HN 0.425 nan 8.280 nan 0.000 0.464 54 T N 2.309 116.527 114.554 -0.561 0.000 2.908 54 T HA 0.644 5.515 4.350 0.868 0.000 0.290 54 T C -1.002 173.300 174.700 -0.663 0.000 1.034 54 T CA -0.994 60.805 62.100 -0.500 0.000 1.010 54 T CB 2.028 70.776 68.868 -0.200 0.000 1.068 54 T HN 0.667 nan 8.240 nan 0.000 0.481 55 E N 1.676 121.649 120.200 -0.378 0.000 2.216 55 E HA 0.337 5.207 4.350 0.868 0.000 0.260 55 E C -0.568 176.023 176.600 -0.015 0.000 0.880 55 E CA -1.032 55.272 56.400 -0.161 0.000 0.765 55 E CB 1.018 30.747 29.700 0.048 0.000 1.174 55 E HN 0.709 nan 8.360 nan 0.000 0.417 56 N N 2.282 120.979 118.700 -0.004 0.000 2.721 56 N HA -0.239 5.022 4.740 0.868 0.000 0.249 56 N C 0.694 176.199 175.510 -0.008 0.000 1.072 56 N CA 1.419 54.486 53.050 0.028 0.000 0.710 56 N CB -1.125 37.422 38.487 0.100 0.000 0.993 56 N HN 1.056 nan 8.380 nan 0.000 0.547 57 G N -2.801 105.971 108.800 -0.047 0.000 2.179 57 G HA2 -0.329 4.151 3.960 0.868 0.000 0.260 57 G HA3 -0.329 4.151 3.960 0.868 0.000 0.260 57 G C 0.021 174.921 174.900 0.000 0.000 0.977 57 G CA 0.382 45.466 45.100 -0.027 0.000 0.641 57 G HN 0.492 nan 8.290 nan 0.000 0.533 58 V N 1.187 121.098 119.914 -0.005 0.000 2.370 58 V HA 0.495 5.136 4.120 0.868 0.000 0.279 58 V C 0.415 176.517 176.094 0.014 0.000 1.029 58 V CA -1.133 61.185 62.300 0.030 0.000 0.870 58 V CB 1.212 33.051 31.823 0.027 0.000 0.984 58 V HN 0.356 nan 8.190 nan 0.000 0.451 59 Y N 6.131 126.432 120.300 0.002 0.000 2.620 59 Y HA 0.136 5.206 4.550 0.867 0.000 0.330 59 Y C 1.133 177.078 175.900 0.075 0.000 1.186 59 Y CA 0.507 58.621 58.100 0.024 0.000 1.467 59 Y CB 0.583 39.082 38.460 0.064 0.000 1.262 59 Y HN 0.591 nan 8.280 nan 0.000 0.550 60 K N 4.557 124.437 120.400 -0.867 0.000 2.309 60 K HA 0.564 5.405 4.320 0.868 0.000 0.210 60 K C -0.192 176.106 176.600 -0.504 0.000 1.114 60 K CA 0.708 56.726 56.287 -0.448 0.000 0.912 60 K CB 0.211 32.711 32.500 -0.000 0.000 1.198 60 K HN 0.653 nan 8.250 nan 0.000 0.471 61 A N 0.226 122.785 122.820 -0.435 0.000 2.438 61 A HA 0.559 5.400 4.320 0.868 0.000 0.301 61 A C -1.525 176.335 177.584 0.459 0.000 1.101 61 A CA -0.719 51.476 52.037 0.264 0.000 0.621 61 A CB 0.715 20.039 19.000 0.540 0.000 1.350 61 A HN 0.252 nan 8.150 nan 0.000 0.496 62 H N -1.279 118.045 119.070 0.423 0.000 2.771 62 H HA 0.676 5.752 4.556 0.867 0.000 0.367 62 H C -1.452 173.893 175.328 0.029 0.000 1.172 62 H CA 0.068 56.211 56.048 0.159 0.000 1.186 62 H CB 2.053 31.767 29.762 -0.080 0.000 1.790 62 H HN 0.775 nan 8.280 nan 0.000 0.556 63 Y N -0.992 119.212 120.300 -0.159 0.000 2.615 63 Y HA 0.457 5.527 4.550 0.867 0.000 0.341 63 Y C -1.341 174.540 175.900 -0.031 0.000 1.089 63 Y CA -1.408 56.473 58.100 -0.365 0.000 1.049 63 Y CB 0.986 38.826 38.460 -1.033 0.000 1.296 63 Y HN 0.250 nan 8.280 nan 0.000 0.470 64 I N 2.768 123.440 120.570 0.170 0.000 2.325 64 I HA 0.263 4.954 4.170 0.868 0.000 0.291 64 I C -0.090 176.196 176.117 0.282 0.000 1.019 64 I CA -0.659 60.767 61.300 0.211 0.000 1.302 64 I CB 1.117 39.289 38.000 0.285 0.000 1.401 64 I HN 0.679 nan 8.210 nan 0.000 0.485 65 K N 5.631 126.164 120.400 0.222 0.000 2.276 65 K HA 0.477 5.318 4.320 0.868 0.000 0.285 65 K C -0.072 176.553 176.600 0.042 0.000 1.062 65 K CA -0.437 55.932 56.287 0.136 0.000 0.918 65 K CB 0.830 33.248 32.500 -0.138 0.000 1.055 65 K HN 0.719 nan 8.250 nan 0.000 0.477 66 A N 6.946 129.631 122.820 -0.226 0.000 2.922 66 A HA 0.217 5.057 4.320 0.868 0.000 0.298 66 A C 0.135 177.549 177.584 -0.284 0.000 1.588 66 A CA -0.531 51.114 52.037 -0.654 0.000 1.288 66 A CB -0.688 17.732 19.000 -0.968 0.000 1.130 66 A HN 0.831 nan 8.150 nan 0.000 0.557 67 I N 2.063 122.576 120.570 -0.095 0.000 2.752 67 I HA -0.063 4.628 4.170 0.868 0.000 0.289 67 I C 0.514 176.579 176.117 -0.087 0.000 1.197 67 I CA 0.561 61.812 61.300 -0.081 0.000 1.432 67 I CB 0.280 38.266 38.000 -0.024 0.000 1.359 67 I HN 0.598 nan 8.210 nan 0.000 0.571 68 N N 8.928 127.559 118.700 -0.115 0.000 2.664 68 N HA 0.246 5.507 4.740 0.868 0.000 0.268 68 N C -2.169 173.281 175.510 -0.100 0.000 1.222 68 N CA -1.555 51.435 53.050 -0.099 0.000 0.805 68 N CB 1.770 40.197 38.487 -0.100 0.000 1.399 68 N HN 0.105 nan 8.380 nan 0.000 0.547 69 P HA 0.035 nan 4.420 nan 0.000 0.217 69 P C 0.826 178.100 177.300 -0.043 0.000 1.151 69 P CA 1.364 64.399 63.100 -0.107 0.000 0.828 69 P CB 0.065 31.656 31.700 -0.181 0.000 0.788 70 D N -0.773 119.620 120.400 -0.011 0.000 2.347 70 D HA 0.141 5.302 4.640 0.868 0.000 0.215 70 D C 1.491 177.790 176.300 -0.002 0.000 0.976 70 D CA 1.460 55.471 54.000 0.018 0.000 0.884 70 D CB -0.479 40.355 40.800 0.057 0.000 0.915 70 D HN 0.393 nan 8.370 nan 0.000 0.526 71 E N -1.791 118.395 120.200 -0.023 0.000 2.594 71 E HA 0.499 5.369 4.350 0.868 0.000 0.173 71 E C 0.990 177.560 176.600 -0.050 0.000 0.905 71 E CA 0.810 57.194 56.400 -0.028 0.000 1.344 71 E CB -0.244 29.444 29.700 -0.020 0.000 1.156 71 E HN 1.852 nan 8.360 nan 0.000 0.578 72 G N 1.066 109.828 108.800 -0.063 0.000 2.907 72 G HA2 0.053 4.533 3.960 0.868 0.000 0.686 72 G HA3 0.053 4.533 3.960 0.868 0.000 0.686 72 G C -0.815 174.017 174.900 -0.113 0.000 1.115 72 G CA -0.365 44.688 45.100 -0.078 0.000 0.760 72 G HN 0.222 nan 8.290 nan 0.000 0.620 73 D N 1.312 121.638 120.400 -0.124 0.000 2.399 73 D HA 0.478 5.639 4.640 0.868 0.000 0.241 73 D C 0.765 176.948 176.300 -0.195 0.000 1.133 73 D CA 1.171 55.077 54.000 -0.158 0.000 0.890 73 D CB 1.267 41.973 40.800 -0.157 0.000 1.201 73 D HN 0.789 nan 8.370 nan 0.000 0.432 74 D N -0.764 119.492 120.400 -0.240 0.000 2.744 74 D HA 0.601 5.762 4.640 0.868 0.000 0.304 74 D C -0.869 175.247 176.300 -0.306 0.000 1.179 74 D CA -0.682 53.138 54.000 -0.299 0.000 1.024 74 D CB 0.696 41.294 40.800 -0.336 0.000 1.453 74 D HN 0.251 nan 8.370 nan 0.000 0.529 75 I N -0.633 119.744 120.570 -0.321 0.000 2.534 75 I HA 0.448 5.139 4.170 0.868 0.000 0.288 75 I C -0.547 175.476 176.117 -0.156 0.000 1.077 75 I CA -0.783 60.379 61.300 -0.230 0.000 1.051 75 I CB 1.873 39.683 38.000 -0.317 0.000 1.234 75 I HN 0.139 nan 8.210 nan 0.000 0.425 76 R N 2.217 122.689 120.500 -0.047 0.000 2.740 76 R HA 0.414 5.275 4.340 0.868 0.000 0.282 76 R C 1.009 177.406 176.300 0.161 0.000 0.969 76 R CA -0.594 55.544 56.100 0.063 0.000 0.918 76 R CB 2.156 32.517 30.300 0.102 0.000 1.175 76 R HN 0.758 nan 8.270 nan 0.000 0.464 77 T N -2.276 112.399 114.554 0.201 0.000 2.821 77 T HA -0.201 4.669 4.350 0.868 0.000 0.267 77 T C 1.515 176.128 174.700 -0.146 0.000 1.046 77 T CA 1.368 63.559 62.100 0.152 0.000 1.139 77 T CB -0.066 68.953 68.868 0.252 0.000 0.871 77 T HN 0.736 nan 8.240 nan 0.000 0.454 78 E N 1.890 121.981 120.200 -0.181 0.000 2.038 78 E HA -0.129 4.742 4.350 0.868 0.000 0.195 78 E C 2.511 178.755 176.600 -0.594 0.000 1.000 78 E CA 1.619 57.677 56.400 -0.570 0.000 0.803 78 E CB -1.028 28.332 29.700 -0.566 0.000 0.750 78 E HN 0.592 nan 8.360 nan 0.000 0.448 79 G N 0.315 109.094 108.800 -0.035 0.000 2.422 79 G HA2 -0.326 4.155 3.960 0.868 0.000 0.218 79 G HA3 -0.326 4.155 3.960 0.868 0.000 0.218 79 G C 1.552 176.611 174.900 0.266 0.000 1.146 79 G CA 0.873 46.149 45.100 0.293 0.000 0.769 79 G HN 0.314 nan 8.290 nan 0.000 0.547 80 Q N 1.387 121.311 119.800 0.207 0.000 2.050 80 Q HA -0.129 4.732 4.340 0.868 0.000 0.202 80 Q C 2.827 178.982 176.000 0.258 0.000 0.980 80 Q CA 2.325 58.305 55.803 0.295 0.000 0.840 80 Q CB -0.322 28.668 28.738 0.419 0.000 0.898 80 Q HN 0.551 nan 8.270 nan 0.000 0.424 81 S N -1.514 114.141 115.700 -0.075 0.000 2.387 81 S HA -0.111 4.880 4.470 0.868 0.000 0.226 81 S C 1.616 176.334 174.600 0.197 0.000 1.026 81 S CA 0.692 58.792 58.200 -0.167 0.000 0.972 81 S CB -0.723 61.984 63.200 -0.821 0.000 0.814 81 S HN 0.500 nan 8.310 nan 0.000 0.477 82 W N 2.524 123.802 121.300 -0.037 0.000 2.358 82 W HA 0.230 5.410 4.660 0.867 0.000 0.303 82 W C 2.751 179.384 176.519 0.190 0.000 1.208 82 W CA 0.277 57.620 57.345 -0.003 0.000 1.274 82 W CB -1.485 27.927 29.460 -0.080 0.000 1.138 82 W HN 0.481 nan 8.180 nan 0.000 0.515 83 G N 0.017 109.103 108.800 0.478 0.000 2.421 83 G HA2 -0.271 4.210 3.960 0.868 0.000 0.216 83 G HA3 -0.271 4.210 3.960 0.868 0.000 0.216 83 G C 1.589 176.792 174.900 0.505 0.000 1.171 83 G CA 1.205 46.627 45.100 0.535 0.000 0.775 83 G HN 0.135 nan 8.290 nan 0.000 0.543 84 M N 0.460 120.272 119.600 0.352 0.000 2.149 84 M HA -0.069 4.932 4.480 0.868 0.000 0.261 84 M C 2.765 179.261 176.300 0.327 0.000 1.064 84 M CA 1.698 57.093 55.300 0.159 0.000 1.102 84 M CB -0.497 31.997 32.600 -0.177 0.000 1.369 84 M HN 0.139 nan 8.290 nan 0.000 0.408 85 T N 0.653 115.435 114.554 0.379 0.000 2.746 85 T HA -0.102 4.768 4.350 0.868 0.000 0.267 85 T C 1.914 176.775 174.700 0.268 0.000 1.039 85 T CA 1.538 63.867 62.100 0.381 0.000 1.142 85 T CB -0.350 68.885 68.868 0.611 0.000 0.866 85 T HN 0.507 nan 8.240 nan 0.000 0.444 86 A N 1.507 124.533 122.820 0.343 0.000 1.877 86 A HA 0.133 4.973 4.320 0.868 0.000 0.216 86 A C 2.658 180.368 177.584 0.210 0.000 1.186 86 A CA 1.894 54.116 52.037 0.309 0.000 0.620 86 A CB -1.166 18.107 19.000 0.456 0.000 0.822 86 A HN 0.505 nan 8.150 nan 0.000 0.443 87 A N -0.816 122.174 122.820 0.284 0.000 1.877 87 A HA -0.054 4.786 4.320 0.868 0.000 0.216 87 A C 2.327 179.970 177.584 0.099 0.000 1.186 87 A CA 1.831 53.947 52.037 0.130 0.000 0.620 87 A CB -1.132 18.054 19.000 0.311 0.000 0.822 87 A HN 0.771 nan 8.150 nan 0.000 0.443 88 V N -0.115 119.910 119.914 0.185 0.000 2.515 88 V HA -0.209 4.431 4.120 0.868 0.000 0.250 88 V C 2.341 178.258 176.094 -0.295 0.000 1.058 88 V CA 2.116 64.321 62.300 -0.158 0.000 1.064 88 V CB -0.497 31.054 31.823 -0.454 0.000 0.675 88 V HN 0.525 nan 8.190 nan 0.000 0.461 89 M N -0.869 118.612 119.600 -0.199 0.000 2.296 89 M HA 0.016 5.017 4.480 0.868 0.000 0.265 89 M C 1.728 177.920 176.300 -0.180 0.000 1.064 89 M CA 1.590 56.772 55.300 -0.196 0.000 1.109 89 M CB -0.739 31.758 32.600 -0.172 0.000 1.396 89 M HN 0.297 nan 8.290 nan 0.000 0.430 90 L N -0.858 120.226 121.223 -0.231 0.000 2.728 90 L HA 0.150 5.010 4.340 0.868 0.000 0.238 90 L C 0.148 176.861 176.870 -0.262 0.000 1.143 90 L CA -0.207 54.456 54.840 -0.296 0.000 0.937 90 L CB -0.145 41.605 42.059 -0.516 0.000 1.225 90 L HN 0.299 nan 8.230 nan 0.000 0.507 91 N N 1.296 119.912 118.700 -0.140 0.000 2.780 91 N HA -0.148 5.112 4.740 0.868 0.000 0.248 91 N C -0.383 175.112 175.510 -0.026 0.000 1.102 91 N CA 0.610 53.687 53.050 0.046 0.000 0.697 91 N CB -0.506 37.974 38.487 -0.011 0.000 1.028 91 N HN 0.069 nan 8.380 nan 0.000 0.554 92 K N 1.111 121.464 120.400 -0.079 0.000 2.360 92 K HA 0.157 4.998 4.320 0.868 0.000 0.235 92 K C 1.033 177.558 176.600 -0.125 0.000 1.077 92 K CA -0.279 55.889 56.287 -0.199 0.000 1.035 92 K CB 0.898 33.134 32.500 -0.440 0.000 1.623 92 K HN 0.464 nan 8.250 nan 0.000 0.462 93 Q N 1.540 121.103 119.800 -0.395 0.000 2.083 93 Q HA -0.115 4.746 4.340 0.868 0.000 0.198 93 Q C 0.996 176.883 176.000 -0.188 0.000 0.969 93 Q CA 1.284 56.641 55.803 -0.743 0.000 0.838 93 Q CB 0.478 28.465 28.738 -1.251 0.000 0.900 93 Q HN 0.372 nan 8.270 nan 0.000 0.436 94 E N 0.680 120.828 120.200 -0.088 0.000 2.058 94 E HA -0.215 4.655 4.350 0.868 0.000 0.194 94 E C 1.868 178.596 176.600 0.213 0.000 0.997 94 E CA 1.394 57.840 56.400 0.077 0.000 0.801 94 E CB 0.001 29.726 29.700 0.042 0.000 0.746 94 E HN 0.398 nan 8.360 nan 0.000 0.450 95 E N 0.443 120.741 120.200 0.163 0.000 2.058 95 E HA -0.175 4.696 4.350 0.868 0.000 0.194 95 E C 1.774 178.628 176.600 0.423 0.000 0.997 95 E CA 0.891 57.428 56.400 0.228 0.000 0.801 95 E CB -0.479 29.199 29.700 -0.037 0.000 0.746 95 E HN 0.185 nan 8.360 nan 0.000 0.450 96 F N 1.814 121.918 119.950 0.257 0.000 2.043 96 F HA -0.273 4.774 4.527 0.867 0.000 0.297 96 F C 1.697 177.774 175.800 0.461 0.000 1.121 96 F CA 1.963 60.184 58.000 0.368 0.000 1.199 96 F CB -0.211 39.029 39.000 0.399 0.000 0.968 96 F HN -0.046 nan 8.300 nan 0.000 0.478 97 D N -0.058 120.824 120.400 0.802 0.000 2.144 97 D HA -0.167 4.993 4.640 0.868 0.000 0.199 97 D C 1.944 178.662 176.300 0.697 0.000 0.984 97 D CA 1.154 55.666 54.000 0.854 0.000 0.834 97 D CB -0.554 40.685 40.800 0.731 0.000 0.955 97 D HN 0.310 nan 8.370 nan 0.000 0.465 98 N N 0.265 119.316 118.700 0.584 0.000 2.188 98 N HA -0.066 5.195 4.740 0.868 0.000 0.184 98 N C 2.035 177.902 175.510 0.595 0.000 1.018 98 N CA 0.420 53.833 53.050 0.605 0.000 0.858 98 N CB -0.285 38.539 38.487 0.562 0.000 0.989 98 N HN 0.263 nan 8.380 nan 0.000 0.426 99 L N -0.706 120.846 121.223 0.549 0.000 2.072 99 L HA -0.064 4.797 4.340 0.868 0.000 0.205 99 L C 2.406 179.551 176.870 0.457 0.000 1.079 99 L CA 0.753 55.894 54.840 0.501 0.000 0.752 99 L CB -0.306 42.022 42.059 0.449 0.000 0.906 99 L HN 0.354 nan 8.230 nan 0.000 0.436 100 W N 1.453 122.822 121.300 0.115 0.000 2.388 100 W HA -0.203 4.978 4.660 0.867 0.000 0.294 100 W C 2.608 179.135 176.519 0.013 0.000 1.212 100 W CA 1.000 58.297 57.345 -0.081 0.000 1.271 100 W CB -0.025 29.243 29.460 -0.320 0.000 1.126 100 W HN 0.125 nan 8.180 nan 0.000 0.535 101 R N 0.013 120.574 120.500 0.102 0.000 2.091 101 R HA -0.256 4.604 4.340 0.868 0.000 0.238 101 R C 2.364 178.657 176.300 -0.012 0.000 1.136 101 R CA 2.061 58.237 56.100 0.126 0.000 0.959 101 R CB -1.146 29.405 30.300 0.418 0.000 0.856 101 R HN 0.201 nan 8.270 nan 0.000 0.437 102 F N 0.824 120.827 119.950 0.089 0.000 2.134 102 F HA -0.171 4.877 4.527 0.868 0.000 0.299 102 F C 2.125 177.947 175.800 0.036 0.000 1.097 102 F CA 1.621 59.726 58.000 0.175 0.000 1.264 102 F CB -0.423 38.785 39.000 0.346 0.000 1.001 102 F HN 0.101 nan 8.300 nan 0.000 0.479 103 A N -0.013 122.924 122.820 0.194 0.000 1.855 103 A HA -0.218 4.623 4.320 0.868 0.000 0.215 103 A C 2.287 179.740 177.584 -0.218 0.000 1.191 103 A CA 1.829 53.928 52.037 0.103 0.000 0.613 103 A CB -0.877 18.135 19.000 0.020 0.000 0.829 103 A HN 0.426 nan 8.150 nan 0.000 0.442 104 K N -0.501 119.491 120.400 -0.681 0.000 2.097 104 K HA -0.086 4.755 4.320 0.868 0.000 0.206 104 K C 2.086 178.403 176.600 -0.472 0.000 1.049 104 K CA 1.199 57.097 56.287 -0.647 0.000 0.933 104 K CB -0.261 31.651 32.500 -0.979 0.000 0.717 104 K HN 0.405 nan 8.250 nan 0.000 0.442 105 A N -0.361 122.114 122.820 -0.575 0.000 1.898 105 A HA -0.079 4.762 4.320 0.868 0.000 0.214 105 A C 1.350 178.486 177.584 -0.745 0.000 1.183 105 A CA 1.095 52.669 52.037 -0.772 0.000 0.622 105 A CB -0.296 17.962 19.000 -1.238 0.000 0.824 105 A HN 0.379 nan 8.150 nan 0.000 0.444 106 Y N -1.335 118.716 120.300 -0.416 0.000 2.589 106 Y HA 0.187 5.258 4.550 0.867 0.000 0.271 106 Y C 2.376 178.085 175.900 -0.320 0.000 1.107 106 Y CA 0.329 58.152 58.100 -0.461 0.000 1.273 106 Y CB -0.191 37.732 38.460 -0.894 0.000 1.266 106 Y HN 0.290 nan 8.280 nan 0.000 0.504 107 Q N 0.699 120.442 119.800 -0.095 0.000 2.163 107 Q HA -0.021 4.840 4.340 0.868 0.000 0.198 107 Q C 0.801 176.666 176.000 -0.226 0.000 0.954 107 Q CA 0.410 56.219 55.803 0.010 0.000 0.851 107 Q CB 0.285 29.219 28.738 0.327 0.000 0.928 107 Q HN 0.124 nan 8.270 nan 0.000 0.459 108 K N 2.188 122.269 120.400 -0.531 0.000 2.447 108 K HA 0.015 4.855 4.320 0.868 0.000 0.281 108 K C -0.876 175.470 176.600 -0.424 0.000 1.031 108 K CA 0.060 55.789 56.287 -0.931 0.000 1.019 108 K CB 0.328 32.329 32.500 -0.832 0.000 0.918 108 K HN 0.105 nan 8.250 nan 0.000 0.476 109 N N 5.454 123.957 118.700 -0.328 0.000 2.530 109 N HA 0.156 5.416 4.740 0.868 0.000 0.273 109 N C -2.446 173.014 175.510 -0.084 0.000 1.173 109 N CA -1.398 51.579 53.050 -0.121 0.000 0.967 109 N CB 0.723 39.159 38.487 -0.087 0.000 1.109 109 N HN 0.439 nan 8.380 nan 0.000 0.453 110 P HA -0.051 nan 4.420 nan 0.000 0.267 110 P C -0.231 177.085 177.300 0.026 0.000 1.200 110 P CA 0.088 63.186 63.100 -0.004 0.000 0.772 110 P CB 0.711 32.418 31.700 0.012 0.000 0.855 111 D N 1.130 121.535 120.400 0.009 0.000 2.264 111 D HA -0.108 5.052 4.640 0.868 0.000 0.208 111 D C 0.971 177.294 176.300 0.038 0.000 0.966 111 D CA 1.234 55.248 54.000 0.023 0.000 0.864 111 D CB -0.247 40.562 40.800 0.015 0.000 0.933 111 D HN 0.508 nan 8.370 nan 0.000 0.499 112 N N -0.144 118.577 118.700 0.036 0.000 2.321 112 N HA -0.081 5.180 4.740 0.868 0.000 0.242 112 N C -0.080 175.458 175.510 0.047 0.000 1.141 112 N CA -0.366 52.704 53.050 0.033 0.000 0.864 112 N CB -0.896 37.595 38.487 0.007 0.000 1.100 112 N HN 0.139 nan 8.380 nan 0.000 0.510 113 H N 1.809 120.874 119.070 -0.008 0.000 3.038 113 H HA 0.054 5.131 4.556 0.868 0.000 0.338 113 H C -1.133 174.201 175.328 0.009 0.000 1.041 113 H CA -0.445 55.603 56.048 -0.001 0.000 1.394 113 H CB 1.171 30.936 29.762 0.004 0.000 1.357 113 H HN 0.010 nan 8.280 nan 0.000 0.600 114 P HA -0.117 nan 4.420 nan 0.000 0.220 114 P C -0.053 177.352 177.300 0.175 0.000 1.148 114 P CA 1.018 64.138 63.100 0.034 0.000 0.803 114 P CB 0.205 31.868 31.700 -0.061 0.000 0.782 115 D N -0.178 120.479 120.400 0.428 0.000 2.347 115 D HA 0.286 5.446 4.640 0.868 0.000 0.235 115 D C 1.190 177.590 176.300 0.166 0.000 1.149 115 D CA -0.374 53.785 54.000 0.266 0.000 0.850 115 D CB 1.137 42.093 40.800 0.261 0.000 1.061 115 D HN -0.119 nan 8.370 nan 0.000 0.487 116 A N 4.981 127.861 122.820 0.100 0.000 2.024 116 A HA -0.195 4.645 4.320 0.868 0.000 0.220 116 A C 1.921 179.508 177.584 0.006 0.000 1.164 116 A CA 1.243 53.311 52.037 0.051 0.000 0.643 116 A CB -0.252 18.768 19.000 0.033 0.000 0.806 116 A HN 0.643 nan 8.150 nan 0.000 0.451 117 K N -0.562 119.831 120.400 -0.012 0.000 2.283 117 K HA -0.061 4.780 4.320 0.868 0.000 0.202 117 K C 1.480 178.017 176.600 -0.106 0.000 1.048 117 K CA 1.247 57.468 56.287 -0.110 0.000 0.948 117 K CB -0.050 32.289 32.500 -0.267 0.000 0.742 117 K HN 0.417 nan 8.250 nan 0.000 0.458 118 K N 0.679 121.020 120.400 -0.099 0.000 2.367 118 K HA 0.048 4.888 4.320 0.868 0.000 0.194 118 K C -0.045 176.471 176.600 -0.140 0.000 1.027 118 K CA -0.017 56.159 56.287 -0.185 0.000 1.075 118 K CB 0.487 32.675 32.500 -0.521 0.000 0.845 118 K HN 0.147 nan 8.250 nan 0.000 0.529 119 Q N 0.408 120.178 119.800 -0.050 0.000 2.244 119 Q HA 0.030 4.890 4.340 0.868 0.000 0.278 119 Q C 0.822 176.825 176.000 0.004 0.000 1.093 119 Q CA 0.708 56.515 55.803 0.007 0.000 0.916 119 Q CB 0.415 29.175 28.738 0.037 0.000 1.159 119 Q HN 0.469 nan 8.270 nan 0.000 0.384 120 G N 1.377 110.169 108.800 -0.013 0.000 2.189 120 G HA2 -0.317 4.164 3.960 0.868 0.000 0.267 120 G HA3 -0.317 4.164 3.960 0.868 0.000 0.267 120 G C 0.367 175.295 174.900 0.046 0.000 0.975 120 G CA 0.349 45.449 45.100 0.000 0.000 0.644 120 G HN 0.702 nan 8.290 nan 0.000 0.537 121 V N -2.800 117.136 119.914 0.036 0.000 3.336 121 V HA 0.789 5.430 4.120 0.868 0.000 0.304 121 V C 0.304 176.435 176.094 0.062 0.000 1.073 121 V CA -1.542 60.860 62.300 0.170 0.000 1.074 121 V CB 0.981 32.874 31.823 0.116 0.000 1.161 121 V HN 0.294 nan 8.190 nan 0.000 0.460 122 Y N 1.045 121.430 120.300 0.142 0.000 2.331 122 Y HA 0.704 5.774 4.550 0.868 0.000 0.338 122 Y C 0.791 176.798 175.900 0.179 0.000 0.976 122 Y CA -0.242 57.967 58.100 0.180 0.000 1.137 122 Y CB 1.062 39.724 38.460 0.337 0.000 1.172 122 Y HN 1.026 nan 8.280 nan 0.000 0.478 123 A N 5.087 128.002 122.820 0.158 0.000 2.545 123 A HA -0.054 4.787 4.320 0.868 0.000 0.253 123 A C 1.140 178.849 177.584 0.209 0.000 1.074 123 A CA -0.274 51.848 52.037 0.141 0.000 0.760 123 A CB -0.162 18.855 19.000 0.028 0.000 1.005 123 A HN 1.097 nan 8.150 nan 0.000 0.506 124 W N 2.995 124.330 121.300 0.058 0.000 2.467 124 W HA 0.100 5.281 4.660 0.867 0.000 0.275 124 W C 0.096 176.622 176.519 0.012 0.000 1.239 124 W CA 0.757 58.130 57.345 0.045 0.000 1.266 124 W CB -0.047 29.422 29.460 0.014 0.000 1.112 124 W HN 0.568 nan 8.180 nan 0.000 0.576 125 K N 1.288 121.288 120.400 -0.668 0.000 2.578 125 K HA 0.388 5.228 4.320 0.868 0.000 0.250 125 K C -1.687 174.595 176.600 -0.530 0.000 0.955 125 K CA -0.584 55.185 56.287 -0.864 0.000 0.825 125 K CB 1.429 33.040 32.500 -1.483 0.000 1.151 125 K HN -0.159 nan 8.250 nan 0.000 0.432 126 L N 2.774 123.742 121.223 -0.425 0.000 2.313 126 L HA 0.612 5.473 4.340 0.868 0.000 0.268 126 L C -0.445 176.098 176.870 -0.546 0.000 1.010 126 L CA -0.467 54.100 54.840 -0.456 0.000 0.814 126 L CB 1.818 43.706 42.059 -0.285 0.000 1.304 126 L HN 0.604 nan 8.230 nan 0.000 0.441 127 K N 0.519 120.481 120.400 -0.729 0.000 2.495 127 K HA 0.631 5.471 4.320 0.868 0.000 0.268 127 K C -1.641 174.693 176.600 -0.443 0.000 1.008 127 K CA -0.853 55.089 56.287 -0.576 0.000 0.882 127 K CB 2.243 34.437 32.500 -0.511 0.000 1.443 127 K HN 0.326 nan 8.250 nan 0.000 0.447 128 L N 2.892 123.986 121.223 -0.215 0.000 2.292 128 L HA 0.260 5.121 4.340 0.868 0.000 0.284 128 L C 0.409 177.376 176.870 0.161 0.000 1.065 128 L CA -0.864 53.958 54.840 -0.031 0.000 0.806 128 L CB 0.614 42.633 42.059 -0.066 0.000 1.175 128 L HN 0.733 nan 8.230 nan 0.000 0.431 129 N N 2.169 121.036 118.700 0.278 0.000 2.322 129 N HA 0.053 5.314 4.740 0.868 0.000 0.270 129 N C 0.799 176.347 175.510 0.063 0.000 1.286 129 N CA 0.255 53.408 53.050 0.172 0.000 0.948 129 N CB 0.259 38.737 38.487 -0.014 0.000 1.164 129 N HN 0.551 nan 8.380 nan 0.000 0.551 130 Q N -0.859 118.952 119.800 0.018 0.000 2.291 130 Q HA -0.080 4.780 4.340 0.868 0.000 0.206 130 Q C 0.904 176.904 176.000 -0.000 0.000 0.976 130 Q CA 1.599 57.402 55.803 0.000 0.000 0.875 130 Q CB -0.972 27.758 28.738 -0.013 0.000 0.927 130 Q HN 0.704 nan 8.270 nan 0.000 0.450 131 N N -1.054 117.667 118.700 0.034 0.000 2.280 131 N HA 0.262 5.522 4.740 0.868 0.000 0.192 131 N C 1.102 176.510 175.510 -0.169 0.000 1.109 131 N CA 0.894 53.958 53.050 0.023 0.000 0.855 131 N CB 1.195 39.801 38.487 0.200 0.000 0.974 131 N HN 0.677 nan 8.380 nan 0.000 0.482 132 G N 0.221 108.937 108.800 -0.140 0.000 2.175 132 G HA2 -0.244 4.236 3.960 0.868 0.000 0.244 132 G HA3 -0.244 4.236 3.960 0.868 0.000 0.244 132 G C -0.251 174.513 174.900 -0.226 0.000 0.982 132 G CA -0.361 44.594 45.100 -0.242 0.000 0.641 132 G HN 0.219 nan 8.290 nan 0.000 0.527 133 F N -0.141 119.862 119.950 0.089 0.000 2.425 133 F HA 0.682 5.729 4.527 0.868 0.000 0.331 133 F C 0.848 176.692 175.800 0.073 0.000 1.085 133 F CA -0.906 57.171 58.000 0.128 0.000 1.028 133 F CB 1.798 40.834 39.000 0.061 0.000 1.177 133 F HN 0.027 nan 8.300 nan 0.000 0.487 134 V N 4.460 124.443 119.914 0.114 0.000 2.775 134 V HA 0.346 4.986 4.120 0.868 0.000 0.299 134 V C -1.132 174.963 176.094 0.001 0.000 1.062 134 V CA -0.096 62.082 62.300 -0.203 0.000 1.063 134 V CB 0.770 32.126 31.823 -0.779 0.000 0.994 134 V HN 0.688 nan 8.190 nan 0.000 0.483 135 Y N 3.087 123.282 120.300 -0.175 0.000 2.609 135 Y HA 0.625 5.696 4.550 0.868 0.000 0.336 135 Y C -0.878 174.944 175.900 -0.130 0.000 1.129 135 Y CA -1.712 56.315 58.100 -0.122 0.000 1.040 135 Y CB 1.179 39.591 38.460 -0.080 0.000 1.310 135 Y HN 0.499 nan 8.280 nan 0.000 0.460 136 K N 2.195 122.547 120.400 -0.080 0.000 2.276 136 K HA 0.409 5.249 4.320 0.868 0.000 0.285 136 K C 0.093 176.609 176.600 -0.141 0.000 1.062 136 K CA -0.435 55.753 56.287 -0.166 0.000 0.918 136 K CB 2.049 34.522 32.500 -0.045 0.000 1.055 136 K HN 0.680 nan 8.250 nan 0.000 0.477 137 V N 1.124 120.853 119.914 -0.308 0.000 2.379 137 V HA -0.089 4.552 4.120 0.868 0.000 0.243 137 V C 0.462 176.488 176.094 -0.113 0.000 1.035 137 V CA 1.244 63.427 62.300 -0.196 0.000 1.035 137 V CB -0.076 31.546 31.823 -0.334 0.000 0.673 137 V HN 0.796 nan 8.190 nan 0.000 0.457 138 D N -0.846 119.447 120.400 -0.180 0.000 2.686 138 D HA 0.222 5.382 4.640 0.868 0.000 0.249 138 D C 0.503 176.810 176.300 0.012 0.000 1.260 138 D CA -0.286 53.688 54.000 -0.043 0.000 0.910 138 D CB 1.915 42.717 40.800 0.003 0.000 1.323 138 D HN 0.239 nan 8.370 nan 0.000 0.561 139 E N 1.489 121.731 120.200 0.070 0.000 2.427 139 E HA 0.102 4.973 4.350 0.868 0.000 0.196 139 E C 1.167 177.843 176.600 0.127 0.000 1.028 139 E CA -0.014 56.431 56.400 0.074 0.000 0.864 139 E CB 0.309 30.042 29.700 0.056 0.000 0.813 139 E HN 0.470 nan 8.360 nan 0.000 0.514 140 G N 3.186 112.113 108.800 0.211 0.000 2.554 140 G HA2 0.127 4.608 3.960 0.868 0.000 0.238 140 G HA3 0.127 4.608 3.960 0.868 0.000 0.238 140 G C -2.318 172.742 174.900 0.267 0.000 1.259 140 G CA -0.864 44.377 45.100 0.234 0.000 0.843 140 G HN -0.036 nan 8.290 nan 0.000 0.582 141 P HA 0.453 nan 4.420 nan 0.000 0.283 141 P C -0.977 176.306 177.300 -0.028 0.000 1.271 141 P CA -0.508 62.669 63.100 0.129 0.000 0.841 141 P CB 1.953 33.709 31.700 0.093 0.000 1.122 142 A N 2.598 125.412 122.820 -0.011 0.000 2.508 142 A HA 0.502 5.342 4.320 0.868 0.000 0.336 142 A C -1.911 175.549 177.584 -0.206 0.000 1.360 142 A CA -1.652 50.269 52.037 -0.193 0.000 0.841 142 A CB 0.335 19.232 19.000 -0.173 0.000 1.136 142 A HN 0.248 nan 8.150 nan 0.000 0.489 143 P HA -0.168 nan 4.420 nan 0.000 0.221 143 P C 1.296 178.444 177.300 -0.253 0.000 1.145 143 P CA 1.244 64.254 63.100 -0.150 0.000 0.795 143 P CB 0.114 31.803 31.700 -0.018 0.000 0.775 144 N N -0.467 117.843 118.700 -0.650 0.000 2.272 144 N HA -0.121 5.140 4.740 0.868 0.000 0.185 144 N C 1.876 177.322 175.510 -0.107 0.000 1.014 144 N CA 1.808 54.641 53.050 -0.361 0.000 0.870 144 N CB -1.599 36.587 38.487 -0.503 0.000 0.975 144 N HN 0.130 nan 8.380 nan 0.000 0.433 145 G N 1.146 109.812 108.800 -0.223 0.000 2.414 145 G HA2 -0.230 4.251 3.960 0.868 0.000 0.215 145 G HA3 -0.230 4.251 3.960 0.868 0.000 0.215 145 G C 1.427 176.179 174.900 -0.247 0.000 1.188 145 G CA 0.652 45.559 45.100 -0.323 0.000 0.783 145 G HN 0.294 nan 8.290 nan 0.000 0.537 146 E N 0.737 120.951 120.200 0.023 0.000 2.118 146 E HA -0.076 4.795 4.350 0.868 0.000 0.195 146 E C 2.431 179.140 176.600 0.181 0.000 0.992 146 E CA 1.226 57.737 56.400 0.185 0.000 0.804 146 E CB -0.130 29.688 29.700 0.197 0.000 0.741 146 E HN 0.625 nan 8.360 nan 0.000 0.458 147 E N -0.608 119.714 120.200 0.202 0.000 2.051 147 E HA -0.200 4.671 4.350 0.868 0.000 0.192 147 E C 1.831 178.643 176.600 0.354 0.000 0.991 147 E CA 1.104 57.703 56.400 0.332 0.000 0.799 147 E CB -0.232 29.684 29.700 0.361 0.000 0.748 147 E HN 0.387 nan 8.360 nan 0.000 0.449 148 Y N -0.478 119.971 120.300 0.248 0.000 2.293 148 Y HA -0.171 4.899 4.550 0.867 0.000 0.291 148 Y C 1.994 178.016 175.900 0.204 0.000 1.137 148 Y CA 0.822 59.097 58.100 0.291 0.000 1.202 148 Y CB -0.086 38.534 38.460 0.267 0.000 0.990 148 Y HN 0.013 nan 8.280 nan 0.000 0.537 149 F N -0.576 119.484 119.950 0.184 0.000 2.102 149 F HA -0.246 4.803 4.527 0.870 0.000 0.298 149 F C 2.482 178.195 175.800 -0.144 0.000 1.105 149 F CA 1.050 59.024 58.000 -0.044 0.000 1.239 149 F CB -1.299 37.589 39.000 -0.187 0.000 0.991 149 F HN -0.001 nan 8.300 nan 0.000 0.474 150 A N -0.358 122.506 122.820 0.074 0.000 1.908 150 A HA -0.235 4.605 4.320 0.868 0.000 0.218 150 A C 2.161 179.719 177.584 -0.044 0.000 1.181 150 A CA 1.582 53.536 52.037 -0.140 0.000 0.627 150 A CB -1.464 17.304 19.000 -0.388 0.000 0.818 150 A HN 0.360 nan 8.150 nan 0.000 0.445 151 F N 1.061 121.010 119.950 -0.001 0.000 2.069 151 F HA -0.110 4.939 4.527 0.869 0.000 0.298 151 F C 2.532 178.248 175.800 -0.140 0.000 1.113 151 F CA 1.407 59.344 58.000 -0.104 0.000 1.214 151 F CB -0.605 37.985 39.000 -0.684 0.000 0.978 151 F HN 0.241 nan 8.300 nan 0.000 0.474 152 A N 0.462 123.264 122.820 -0.030 0.000 1.933 152 A HA -0.125 4.716 4.320 0.868 0.000 0.218 152 A C 2.296 179.830 177.584 -0.084 0.000 1.175 152 A CA 1.808 53.817 52.037 -0.048 0.000 0.628 152 A CB -1.192 17.950 19.000 0.237 0.000 0.814 152 A HN 0.514 nan 8.150 nan 0.000 0.444 153 L N -0.770 120.395 121.223 -0.097 0.000 2.056 153 L HA -0.139 4.722 4.340 0.868 0.000 0.207 153 L C 2.525 179.268 176.870 -0.213 0.000 1.078 153 L CA 0.860 55.606 54.840 -0.157 0.000 0.749 153 L CB -0.463 41.414 42.059 -0.303 0.000 0.901 153 L HN 0.361 nan 8.230 nan 0.000 0.433 154 L N -0.367 120.739 121.223 -0.196 0.000 2.046 154 L HA -0.237 4.623 4.340 0.868 0.000 0.208 154 L C 2.105 178.869 176.870 -0.178 0.000 1.077 154 L CA 1.581 56.347 54.840 -0.123 0.000 0.747 154 L CB -0.571 41.446 42.059 -0.070 0.000 0.896 154 L HN 0.339 nan 8.230 nan 0.000 0.432 155 N N -0.301 118.186 118.700 -0.356 0.000 2.188 155 N HA -0.132 5.129 4.740 0.868 0.000 0.184 155 N C 1.869 176.905 175.510 -0.790 0.000 1.018 155 N CA 1.176 53.925 53.050 -0.503 0.000 0.858 155 N CB -0.162 37.905 38.487 -0.701 0.000 0.989 155 N HN 0.311 nan 8.380 nan 0.000 0.426 156 A N 0.064 122.308 122.820 -0.960 0.000 1.898 156 A HA -0.153 4.687 4.320 0.868 0.000 0.216 156 A C 2.249 179.260 177.584 -0.955 0.000 1.181 156 A CA 1.760 52.865 52.037 -1.554 0.000 0.620 156 A CB -1.063 16.732 19.000 -2.007 0.000 0.819 156 A HN 0.297 nan 8.150 nan 0.000 0.442 157 S N -0.121 115.316 115.700 -0.438 0.000 2.365 157 S HA -0.149 4.841 4.470 0.868 0.000 0.225 157 S C 2.181 176.679 174.600 -0.170 0.000 1.039 157 S CA 1.980 60.147 58.200 -0.054 0.000 1.033 157 S CB -0.545 62.731 63.200 0.126 0.000 0.887 157 S HN 0.894 nan 8.310 nan 0.000 0.447 158 A N 1.441 124.106 122.820 -0.258 0.000 1.930 158 A HA -0.018 4.823 4.320 0.868 0.000 0.217 158 A C 2.320 179.724 177.584 -0.300 0.000 1.175 158 A CA 1.301 53.204 52.037 -0.223 0.000 0.627 158 A CB -0.493 18.428 19.000 -0.131 0.000 0.815 158 A HN 0.646 nan 8.150 nan 0.000 0.443 159 R N -2.197 117.953 120.500 -0.583 0.000 2.100 159 R HA -0.045 4.816 4.340 0.868 0.000 0.220 159 R C 1.319 177.415 176.300 -0.340 0.000 1.091 159 R CA 1.109 56.802 56.100 -0.678 0.000 0.986 159 R CB -0.069 29.454 30.300 -1.295 0.000 0.888 159 R HN 0.726 nan 8.270 nan 0.000 0.444 160 W N 0.021 121.191 121.300 -0.217 0.000 2.868 160 W HA 0.390 5.571 4.660 0.867 0.000 0.320 160 W C 0.715 177.237 176.519 0.005 0.000 1.076 160 W CA 0.367 57.645 57.345 -0.111 0.000 1.576 160 W CB -0.224 29.152 29.460 -0.139 0.000 1.030 160 W HN 0.182 nan 8.180 nan 0.000 0.558 161 G N 2.037 110.946 108.800 0.182 0.000 2.796 161 G HA2 -0.273 4.208 3.960 0.868 0.000 0.226 161 G HA3 -0.273 4.208 3.960 0.868 0.000 0.226 161 G C 0.159 175.220 174.900 0.268 0.000 1.381 161 G CA -0.014 45.181 45.100 0.157 0.000 0.867 161 G HN 0.136 nan 8.290 nan 0.000 0.552 162 N N 0.127 118.924 118.700 0.161 0.000 2.299 162 N HA 0.200 5.460 4.740 0.868 0.000 0.246 162 N C 1.394 176.943 175.510 0.064 0.000 1.254 162 N CA 0.663 53.793 53.050 0.134 0.000 0.879 162 N CB 0.898 39.470 38.487 0.142 0.000 1.214 162 N HN 0.885 nan 8.380 nan 0.000 0.510 163 S N -1.810 113.925 115.700 0.059 0.000 2.554 163 S HA 0.288 5.279 4.470 0.868 0.000 0.226 163 S C 1.127 175.729 174.600 0.003 0.000 0.980 163 S CA -0.451 57.765 58.200 0.026 0.000 0.939 163 S CB 0.745 63.961 63.200 0.026 0.000 0.832 163 S HN 0.180 nan 8.310 nan 0.000 0.486 164 G N 1.763 110.562 108.800 -0.002 0.000 2.783 164 G HA2 0.283 4.764 3.960 0.868 0.000 0.182 164 G HA3 0.283 4.764 3.960 0.868 0.000 0.182 164 G C 0.563 175.393 174.900 -0.116 0.000 1.516 164 G CA 0.011 45.089 45.100 -0.036 0.000 1.079 164 G HN 0.341 nan 8.290 nan 0.000 0.573 165 E N -1.198 118.886 120.200 -0.193 0.000 2.097 165 E HA -0.107 4.764 4.350 0.868 0.000 0.196 165 E C -0.180 176.081 176.600 -0.564 0.000 1.000 165 E CA 0.756 56.905 56.400 -0.419 0.000 0.804 165 E CB -0.094 29.252 29.700 -0.590 0.000 0.740 165 E HN 0.175 nan 8.360 nan 0.000 0.454 166 F N 0.370 120.221 119.950 -0.166 0.000 2.469 166 F HA 0.282 5.330 4.527 0.868 0.000 0.332 166 F C 0.282 175.877 175.800 -0.342 0.000 1.103 166 F CA -1.200 56.661 58.000 -0.232 0.000 0.979 166 F CB 1.292 40.100 39.000 -0.321 0.000 1.137 166 F HN -0.181 nan 8.300 nan 0.000 0.463 167 N N 2.878 121.634 118.700 0.093 0.000 2.868 167 N HA 0.023 5.283 4.740 0.868 0.000 0.252 167 N C 0.661 176.279 175.510 0.181 0.000 1.130 167 N CA 0.107 53.220 53.050 0.106 0.000 1.026 167 N CB -0.177 38.391 38.487 0.134 0.000 1.335 167 N HN 0.484 nan 8.380 nan 0.000 0.516 168 Y N 1.277 121.727 120.300 0.251 0.000 2.151 168 Y HA -0.282 4.789 4.550 0.868 0.000 0.284 168 Y C 1.895 177.826 175.900 0.051 0.000 1.166 168 Y CA 1.542 59.715 58.100 0.121 0.000 1.163 168 Y CB -0.751 37.738 38.460 0.049 0.000 0.974 168 Y HN 0.537 nan 8.280 nan 0.000 0.511 169 Y N 0.926 121.324 120.300 0.163 0.000 2.145 169 Y HA -0.286 4.785 4.550 0.868 0.000 0.286 169 Y C 2.457 178.398 175.900 0.068 0.000 1.145 169 Y CA 1.901 60.046 58.100 0.075 0.000 1.148 169 Y CB -0.702 37.797 38.460 0.064 0.000 0.981 169 Y HN 0.191 nan 8.280 nan 0.000 0.507 170 N N -0.021 118.757 118.700 0.129 0.000 2.166 170 N HA -0.185 5.076 4.740 0.868 0.000 0.186 170 N C 1.371 176.888 175.510 0.011 0.000 1.019 170 N CA 1.743 54.820 53.050 0.044 0.000 0.856 170 N CB -0.306 38.260 38.487 0.132 0.000 0.993 170 N HN 0.294 nan 8.380 nan 0.000 0.426 171 D N -0.179 120.272 120.400 0.085 0.000 2.144 171 D HA -0.101 5.059 4.640 0.868 0.000 0.199 171 D C 1.757 178.016 176.300 -0.068 0.000 0.984 171 D CA 1.209 55.277 54.000 0.113 0.000 0.834 171 D CB -0.483 40.468 40.800 0.252 0.000 0.955 171 D HN 0.442 nan 8.370 nan 0.000 0.465 172 A N 0.898 123.609 122.820 -0.183 0.000 1.898 172 A HA -0.129 4.711 4.320 0.868 0.000 0.216 172 A C 2.133 179.533 177.584 -0.307 0.000 1.181 172 A CA 0.786 52.653 52.037 -0.284 0.000 0.620 172 A CB -0.404 18.400 19.000 -0.326 0.000 0.819 172 A HN 0.111 nan 8.150 nan 0.000 0.442 173 I N 0.250 120.609 120.570 -0.351 0.000 2.315 173 I HA -0.152 4.538 4.170 0.868 0.000 0.248 173 I C 2.434 178.481 176.117 -0.116 0.000 1.117 173 I CA 1.804 62.941 61.300 -0.270 0.000 1.404 173 I CB -1.981 35.842 38.000 -0.294 0.000 1.071 173 I HN 0.228 nan 8.210 nan 0.000 0.419 174 T N 0.907 115.425 114.554 -0.061 0.000 2.746 174 T HA -0.226 4.645 4.350 0.868 0.000 0.267 174 T C 1.894 176.614 174.700 0.032 0.000 1.039 174 T CA 1.595 63.704 62.100 0.016 0.000 1.142 174 T CB -0.224 68.686 68.868 0.070 0.000 0.866 174 T HN 0.165 nan 8.240 nan 0.000 0.444 175 M N 0.846 120.443 119.600 -0.005 0.000 2.117 175 M HA 0.055 5.055 4.480 0.868 0.000 0.262 175 M C 1.876 178.163 176.300 -0.021 0.000 1.065 175 M CA 1.461 56.762 55.300 0.001 0.000 1.114 175 M CB -0.641 31.910 32.600 -0.082 0.000 1.361 175 M HN 0.177 nan 8.290 nan 0.000 0.408 176 L N -0.163 120.988 121.223 -0.120 0.000 2.012 176 L HA -0.276 4.585 4.340 0.868 0.000 0.210 176 L C 2.092 179.062 176.870 0.167 0.000 1.073 176 L CA 1.216 56.023 54.840 -0.054 0.000 0.748 176 L CB -1.096 40.844 42.059 -0.198 0.000 0.891 176 L HN 0.350 nan 8.230 nan 0.000 0.431 177 N N -0.690 118.057 118.700 0.079 0.000 2.223 177 N HA -0.134 5.126 4.740 0.868 0.000 0.185 177 N C 1.822 177.369 175.510 0.063 0.000 1.016 177 N CA 1.614 54.701 53.050 0.062 0.000 0.863 177 N CB -0.489 38.012 38.487 0.024 0.000 0.983 177 N HN 0.271 nan 8.380 nan 0.000 0.429 178 T N 1.690 116.296 114.554 0.086 0.000 2.746 178 T HA -0.003 4.867 4.350 0.868 0.000 0.267 178 T C 2.089 176.860 174.700 0.118 0.000 1.039 178 T CA 0.697 62.859 62.100 0.103 0.000 1.142 178 T CB -0.170 68.787 68.868 0.148 0.000 0.866 178 T HN 0.178 nan 8.240 nan 0.000 0.444 179 I N 0.848 121.517 120.570 0.165 0.000 2.163 179 I HA -0.206 4.484 4.170 0.868 0.000 0.243 179 I C 2.604 178.835 176.117 0.189 0.000 1.085 179 I CA 1.417 62.848 61.300 0.218 0.000 1.347 179 I CB -0.315 37.886 38.000 0.336 0.000 1.044 179 I HN 0.196 nan 8.210 nan 0.000 0.408 180 K N 0.883 121.383 120.400 0.166 0.000 2.057 180 K HA -0.183 4.658 4.320 0.868 0.000 0.207 180 K C 1.776 178.347 176.600 -0.048 0.000 1.049 180 K CA 1.686 57.959 56.287 -0.023 0.000 0.931 180 K CB 0.017 32.347 32.500 -0.283 0.000 0.714 180 K HN 0.270 nan 8.250 nan 0.000 0.440 181 N N -0.002 118.681 118.700 -0.029 0.000 2.415 181 N HA -0.027 5.233 4.740 0.868 0.000 0.176 181 N C 0.906 176.405 175.510 -0.019 0.000 1.042 181 N CA 0.734 53.762 53.050 -0.036 0.000 0.902 181 N CB 0.449 38.919 38.487 -0.030 0.000 0.986 181 N HN 0.152 nan 8.380 nan 0.000 0.447 182 K N -0.159 120.243 120.400 0.004 0.000 2.464 182 K HA 0.338 5.179 4.320 0.868 0.000 0.206 182 K C 0.852 177.443 176.600 -0.015 0.000 1.186 182 K CA 0.144 56.423 56.287 -0.015 0.000 0.990 182 K CB 1.255 33.757 32.500 0.002 0.000 1.003 182 K HN 0.086 nan 8.250 nan 0.000 0.562 183 L N 0.595 121.837 121.223 0.031 0.000 3.229 183 L HA 0.355 5.216 4.340 0.868 0.000 0.286 183 L C -0.315 176.593 176.870 0.064 0.000 1.239 183 L CA -0.095 54.772 54.840 0.045 0.000 1.035 183 L CB 0.451 42.563 42.059 0.089 0.000 1.408 183 L HN -0.091 nan 8.230 nan 0.000 0.593 184 M N 0.671 120.299 119.600 0.047 0.000 2.535 184 M HA 0.397 5.398 4.480 0.868 0.000 0.314 184 M C -0.748 175.561 176.300 0.015 0.000 1.153 184 M CA -0.066 55.259 55.300 0.042 0.000 0.924 184 M CB 2.455 35.093 32.600 0.063 0.000 1.710 184 M HN -0.021 nan 8.290 nan 0.000 0.451 185 E N 1.042 121.248 120.200 0.009 0.000 2.216 185 E HA 0.448 5.319 4.350 0.868 0.000 0.260 185 E C 0.206 176.800 176.600 -0.010 0.000 0.880 185 E CA 0.409 56.808 56.400 -0.002 0.000 0.765 185 E CB 0.760 30.458 29.700 -0.003 0.000 1.174 185 E HN 0.932 nan 8.360 nan 0.000 0.417 186 N N 4.206 122.898 118.700 -0.013 0.000 2.721 186 N HA -0.296 4.965 4.740 0.868 0.000 0.249 186 N C 0.405 175.879 175.510 -0.059 0.000 1.072 186 N CA 1.593 54.626 53.050 -0.027 0.000 0.710 186 N CB -2.180 36.291 38.487 -0.027 0.000 0.993 186 N HN 0.819 nan 8.380 nan 0.000 0.547 187 Q N -3.293 116.461 119.800 -0.078 0.000 2.460 187 Q HA -0.156 4.705 4.340 0.868 0.000 0.248 187 Q C -0.357 175.549 176.000 -0.157 0.000 0.847 187 Q CA 1.520 57.204 55.803 -0.198 0.000 1.214 187 Q CB -1.352 27.195 28.738 -0.319 0.000 1.523 187 Q HN 0.959 nan 8.270 nan 0.000 0.602 188 I N 0.766 121.298 120.570 -0.063 0.000 2.406 188 I HA 0.313 5.004 4.170 0.868 0.000 0.290 188 I C 0.364 176.483 176.117 0.004 0.000 0.999 188 I CA -1.286 60.013 61.300 -0.001 0.000 1.124 188 I CB 1.275 39.313 38.000 0.062 0.000 1.289 188 I HN 0.030 nan 8.210 nan 0.000 0.441 189 I N 6.899 127.445 120.570 -0.039 0.000 2.826 189 I HA -0.051 4.639 4.170 0.868 0.000 0.295 189 I C 0.587 176.771 176.117 0.112 0.000 1.213 189 I CA 0.639 61.962 61.300 0.038 0.000 1.436 189 I CB 0.077 38.097 38.000 0.034 0.000 1.348 189 I HN 0.497 nan 8.210 nan 0.000 0.570 190 R N 5.945 126.519 120.500 0.123 0.000 2.441 190 R HA 0.126 4.987 4.340 0.868 0.000 0.284 190 R C 0.590 177.026 176.300 0.226 0.000 1.070 190 R CA -0.313 55.861 56.100 0.123 0.000 1.047 190 R CB 0.494 30.824 30.300 0.051 0.000 1.016 190 R HN 0.701 nan 8.270 nan 0.000 0.477 191 F N 0.596 120.560 119.950 0.024 0.000 2.206 191 F HA 0.000 5.048 4.527 0.867 0.000 0.298 191 F C 0.660 176.465 175.800 0.008 0.000 1.090 191 F CA 1.002 59.015 58.000 0.021 0.000 1.323 191 F CB 0.411 39.318 39.000 -0.155 0.000 1.028 191 F HN 0.364 nan 8.300 nan 0.000 0.492 192 S N -1.312 114.367 115.700 -0.034 0.000 2.536 192 S HA 0.376 5.366 4.470 0.868 0.000 0.271 192 S C -2.143 172.385 174.600 -0.120 0.000 1.134 192 S CA -1.225 56.898 58.200 -0.129 0.000 0.897 192 S CB 1.533 64.678 63.200 -0.092 0.000 1.094 192 S HN -0.193 nan 8.310 nan 0.000 0.473 193 P HA -0.041 nan 4.420 nan 0.000 0.219 193 P C 0.091 177.116 177.300 -0.458 0.000 1.146 193 P CA 1.249 64.093 63.100 -0.426 0.000 0.808 193 P CB -0.050 31.222 31.700 -0.714 0.000 0.779 194 Y N -1.807 118.463 120.300 -0.050 0.000 2.457 194 Y HA 0.286 5.356 4.550 0.867 0.000 0.263 194 Y C 1.049 176.923 175.900 -0.044 0.000 1.164 194 Y CA -0.167 57.908 58.100 -0.042 0.000 1.274 194 Y CB -0.038 38.393 38.460 -0.047 0.000 1.097 194 Y HN -0.117 nan 8.280 nan 0.000 0.523 195 I N 0.161 120.755 120.570 0.039 0.000 2.499 195 I HA 0.263 4.953 4.170 0.868 0.000 0.288 195 I C -1.004 175.115 176.117 0.004 0.000 1.048 195 I CA -0.921 60.390 61.300 0.018 0.000 1.062 195 I CB 1.940 39.923 38.000 -0.027 0.000 1.238 195 I HN -0.169 nan 8.210 nan 0.000 0.426 196 D N 3.676 124.079 120.400 0.006 0.000 2.387 196 D HA 0.205 5.366 4.640 0.868 0.000 0.255 196 D C 0.372 176.669 176.300 -0.006 0.000 1.081 196 D CA -0.161 53.838 54.000 -0.002 0.000 0.994 196 D CB 0.759 41.558 40.800 -0.001 0.000 1.127 196 D HN 0.548 nan 8.370 nan 0.000 0.513 197 N N -0.326 118.367 118.700 -0.012 0.000 2.725 197 N HA -0.214 5.046 4.740 0.868 0.000 0.251 197 N C -1.632 173.856 175.510 -0.036 0.000 1.031 197 N CA 0.286 53.323 53.050 -0.022 0.000 0.720 197 N CB -0.956 37.518 38.487 -0.021 0.000 0.930 197 N HN 0.305 nan 8.380 nan 0.000 0.543 198 L N 0.002 121.207 121.223 -0.031 0.000 2.516 198 L HA 0.672 5.532 4.340 0.868 0.000 0.267 198 L C -0.301 176.551 176.870 -0.030 0.000 0.957 198 L CA -0.143 54.660 54.840 -0.061 0.000 0.860 198 L CB 1.798 43.820 42.059 -0.062 0.000 1.265 198 L HN 0.156 nan 8.230 nan 0.000 0.403 199 T N 1.836 116.339 114.554 -0.085 0.000 2.864 199 T HA 0.536 5.406 4.350 0.868 0.000 0.289 199 T C -1.996 172.573 174.700 -0.218 0.000 1.082 199 T CA -0.430 61.647 62.100 -0.038 0.000 1.009 199 T CB 1.482 70.410 68.868 0.100 0.000 1.234 199 T HN 0.654 nan 8.240 nan 0.000 0.526 200 D N 1.027 121.277 120.400 -0.250 0.000 2.505 200 D HA 0.397 5.558 4.640 0.868 0.000 0.250 200 D C -1.961 174.218 176.300 -0.203 0.000 1.164 200 D CA -2.107 51.623 54.000 -0.449 0.000 0.870 200 D CB 2.201 42.440 40.800 -0.935 0.000 1.160 200 D HN 0.105 nan 8.370 nan 0.000 0.549 201 P HA -0.178 nan 4.420 nan 0.000 0.216 201 P C 1.437 178.820 177.300 0.138 0.000 1.150 201 P CA 1.388 64.396 63.100 -0.155 0.000 0.843 201 P CB 0.195 31.616 31.700 -0.465 0.000 0.787 202 S N -2.389 113.404 115.700 0.154 0.000 2.469 202 S HA -0.181 4.810 4.470 0.868 0.000 0.238 202 S C 1.546 176.440 174.600 0.489 0.000 0.998 202 S CA 0.898 59.288 58.200 0.317 0.000 0.957 202 S CB -1.354 62.054 63.200 0.346 0.000 0.764 202 S HN 0.083 nan 8.310 nan 0.000 0.514 203 Y N 1.262 121.720 120.300 0.265 0.000 2.546 203 Y HA 0.258 5.328 4.550 0.867 0.000 0.287 203 Y C 1.099 177.078 175.900 0.131 0.000 1.158 203 Y CA -0.825 57.398 58.100 0.206 0.000 1.307 203 Y CB -0.960 37.594 38.460 0.156 0.000 1.036 203 Y HN 0.434 nan 8.280 nan 0.000 0.532 204 H N 1.123 120.368 119.070 0.293 0.000 2.782 204 H HA 0.314 5.391 4.556 0.867 0.000 0.285 204 H C -0.243 175.132 175.328 0.078 0.000 1.093 204 H CA 0.134 56.333 56.048 0.251 0.000 1.410 204 H CB 0.591 30.472 29.762 0.197 0.000 1.439 204 H HN 0.047 nan 8.280 nan 0.000 0.469 205 I N 6.229 126.732 120.570 -0.111 0.000 2.623 205 I HA 0.147 4.838 4.170 0.868 0.000 0.275 205 I C -1.994 173.760 176.117 -0.605 0.000 1.108 205 I CA -1.873 59.146 61.300 -0.469 0.000 1.120 205 I CB 1.788 39.140 38.000 -1.080 0.000 1.249 205 I HN 0.252 nan 8.210 nan 0.000 0.500 206 P HA -0.186 nan 4.420 nan 0.000 0.216 206 P C 1.681 178.971 177.300 -0.016 0.000 1.150 206 P CA 1.240 64.378 63.100 0.064 0.000 0.837 206 P CB 0.394 32.264 31.700 0.284 0.000 0.786 207 A N -1.170 121.653 122.820 0.005 0.000 1.940 207 A HA -0.211 4.630 4.320 0.868 0.000 0.219 207 A C 1.932 179.604 177.584 0.147 0.000 1.176 207 A CA 1.430 53.579 52.037 0.187 0.000 0.631 207 A CB -1.754 17.407 19.000 0.268 0.000 0.814 207 A HN 0.039 nan 8.150 nan 0.000 0.446 208 F N -0.871 118.781 119.950 -0.497 0.000 2.126 208 F HA -0.158 4.891 4.527 0.870 0.000 0.299 208 F C 2.219 177.382 175.800 -1.060 0.000 1.096 208 F CA 0.723 58.168 58.000 -0.926 0.000 1.255 208 F CB -1.348 36.942 39.000 -1.184 0.000 0.997 208 F HN 0.356 nan 8.300 nan 0.000 0.479 209 Y N -0.094 120.039 120.300 -0.278 0.000 2.242 209 Y HA -0.158 4.912 4.550 0.868 0.000 0.291 209 Y C 2.329 178.305 175.900 0.127 0.000 1.137 209 Y CA 0.536 58.592 58.100 -0.073 0.000 1.181 209 Y CB -1.321 37.297 38.460 0.263 0.000 0.989 209 Y HN 0.060 nan 8.280 nan 0.000 0.527 210 D N -1.024 119.546 120.400 0.284 0.000 2.144 210 D HA -0.217 4.943 4.640 0.868 0.000 0.199 210 D C 1.988 178.519 176.300 0.385 0.000 0.984 210 D CA 1.287 55.502 54.000 0.359 0.000 0.834 210 D CB -0.491 40.551 40.800 0.404 0.000 0.955 210 D HN 0.410 nan 8.370 nan 0.000 0.465 211 Y N 0.946 121.297 120.300 0.085 0.000 2.200 211 Y HA -0.223 4.848 4.550 0.869 0.000 0.290 211 Y C 1.981 177.955 175.900 0.123 0.000 1.137 211 Y CA 1.226 59.324 58.100 -0.004 0.000 1.163 211 Y CB -0.413 37.685 38.460 -0.604 0.000 0.988 211 Y HN -0.204 nan 8.280 nan 0.000 0.518 212 F N 0.457 120.356 119.950 -0.085 0.000 2.065 212 F HA -0.219 4.828 4.527 0.868 0.000 0.298 212 F C 2.737 178.456 175.800 -0.134 0.000 1.112 212 F CA 1.018 58.824 58.000 -0.323 0.000 1.212 212 F CB -1.726 36.854 39.000 -0.700 0.000 0.975 212 F HN 0.170 nan 8.300 nan 0.000 0.476 213 A N 0.231 123.227 122.820 0.294 0.000 1.940 213 A HA -0.211 4.630 4.320 0.868 0.000 0.219 213 A C 1.995 179.695 177.584 0.194 0.000 1.176 213 A CA 1.945 54.183 52.037 0.336 0.000 0.631 213 A CB -0.820 18.397 19.000 0.362 0.000 0.814 213 A HN 0.370 nan 8.150 nan 0.000 0.446 214 N N 0.185 118.989 118.700 0.173 0.000 2.494 214 N HA -0.022 5.238 4.740 0.868 0.000 0.182 214 N C 0.733 176.311 175.510 0.113 0.000 1.076 214 N CA 0.606 53.744 53.050 0.148 0.000 0.908 214 N CB -0.210 38.420 38.487 0.239 0.000 0.967 214 N HN 0.552 nan 8.380 nan 0.000 0.449 215 N N 0.168 118.901 118.700 0.056 0.000 2.184 215 N HA 0.045 5.306 4.740 0.868 0.000 0.206 215 N C 0.164 175.801 175.510 0.211 0.000 1.151 215 N CA 0.023 53.178 53.050 0.176 0.000 0.878 215 N CB 1.685 40.130 38.487 -0.070 0.000 1.014 215 N HN 0.044 nan 8.380 nan 0.000 0.512 216 V N -0.662 119.279 119.914 0.045 0.000 3.109 216 V HA 0.512 5.152 4.120 0.868 0.000 0.317 216 V C 1.183 177.190 176.094 -0.145 0.000 1.074 216 V CA -0.446 61.882 62.300 0.047 0.000 1.033 216 V CB 1.294 33.190 31.823 0.122 0.000 1.111 216 V HN 0.106 nan 8.190 nan 0.000 0.458 217 T N -1.465 113.042 114.554 -0.078 0.000 3.132 217 T HA 0.309 5.179 4.350 0.868 0.000 0.274 217 T C 0.152 174.811 174.700 -0.067 0.000 1.011 217 T CA 0.199 62.195 62.100 -0.174 0.000 0.899 217 T CB -1.256 67.556 68.868 -0.092 0.000 1.089 217 T HN 1.033 nan 8.240 nan 0.000 0.543 218 N N -0.439 118.253 118.700 -0.014 0.000 2.240 218 N HA 0.317 5.578 4.740 0.868 0.000 0.302 218 N C 0.785 176.308 175.510 0.023 0.000 1.106 218 N CA -1.085 51.968 53.050 0.005 0.000 0.778 218 N CB 1.829 40.328 38.487 0.019 0.000 1.431 218 N HN -0.041 nan 8.380 nan 0.000 0.479 219 Q N 1.624 121.435 119.800 0.018 0.000 2.061 219 Q HA -0.222 4.638 4.340 0.868 0.000 0.204 219 Q C 1.726 177.756 176.000 0.050 0.000 0.984 219 Q CA 2.090 57.912 55.803 0.031 0.000 0.846 219 Q CB -0.340 28.411 28.738 0.022 0.000 0.902 219 Q HN 0.849 nan 8.270 nan 0.000 0.421 220 A N 0.943 123.788 122.820 0.042 0.000 1.908 220 A HA -0.235 4.606 4.320 0.868 0.000 0.218 220 A C 1.636 179.269 177.584 0.081 0.000 1.181 220 A CA 2.005 54.070 52.037 0.046 0.000 0.627 220 A CB -0.605 18.407 19.000 0.020 0.000 0.818 220 A HN 0.478 nan 8.150 nan 0.000 0.445 221 D N -0.663 119.791 120.400 0.090 0.000 2.194 221 D HA 0.054 5.214 4.640 0.868 0.000 0.204 221 D C 2.390 178.864 176.300 0.291 0.000 0.964 221 D CA 1.797 55.892 54.000 0.158 0.000 0.846 221 D CB -0.226 40.673 40.800 0.166 0.000 0.962 221 D HN 0.529 nan 8.370 nan 0.000 0.490 222 K N 1.038 121.568 120.400 0.216 0.000 2.026 222 K HA -0.154 4.686 4.320 0.868 0.000 0.208 222 K C 1.954 178.687 176.600 0.221 0.000 1.048 222 K CA 1.651 58.075 56.287 0.228 0.000 0.929 222 K CB -1.296 31.280 32.500 0.126 0.000 0.713 222 K HN 0.180 nan 8.250 nan 0.000 0.439 223 N N -0.986 117.805 118.700 0.151 0.000 2.142 223 N HA -0.069 5.192 4.740 0.868 0.000 0.186 223 N C 1.710 177.276 175.510 0.093 0.000 1.023 223 N CA 1.343 54.459 53.050 0.111 0.000 0.852 223 N CB -0.336 38.195 38.487 0.073 0.000 0.998 223 N HN 0.583 nan 8.380 nan 0.000 0.424 224 Y N -0.204 120.077 120.300 -0.032 0.000 2.081 224 Y HA -0.273 4.798 4.550 0.868 0.000 0.280 224 Y C 1.539 177.332 175.900 -0.178 0.000 1.163 224 Y CA 1.728 59.715 58.100 -0.188 0.000 1.135 224 Y CB -0.460 37.784 38.460 -0.360 0.000 0.970 224 Y HN 0.169 nan 8.280 nan 0.000 0.498 225 W N -0.341 121.068 121.300 0.182 0.000 2.436 225 W HA -0.045 5.136 4.660 0.867 0.000 0.284 225 W C 2.631 179.218 176.519 0.113 0.000 1.225 225 W CA 0.865 58.312 57.345 0.170 0.000 1.271 225 W CB -0.191 29.482 29.460 0.356 0.000 1.114 225 W HN -0.098 nan 8.180 nan 0.000 0.559 226 R N 0.843 121.515 120.500 0.287 0.000 2.092 226 R HA -0.140 4.721 4.340 0.868 0.000 0.231 226 R C 1.913 178.279 176.300 0.110 0.000 1.119 226 R CA 1.743 57.970 56.100 0.212 0.000 0.970 226 R CB -0.507 29.893 30.300 0.167 0.000 0.864 226 R HN 0.202 nan 8.270 nan 0.000 0.440 227 Q N -0.774 119.024 119.800 -0.004 0.000 2.084 227 Q HA -0.114 4.747 4.340 0.868 0.000 0.202 227 Q C 2.045 177.968 176.000 -0.128 0.000 0.978 227 Q CA 1.812 57.564 55.803 -0.086 0.000 0.844 227 Q CB -0.068 28.570 28.738 -0.166 0.000 0.898 227 Q HN 0.154 nan 8.270 nan 0.000 0.426 228 V N 1.044 120.815 119.914 -0.239 0.000 2.287 228 V HA -0.341 4.299 4.120 0.868 0.000 0.248 228 V C 2.262 178.351 176.094 -0.008 0.000 1.053 228 V CA 1.944 64.092 62.300 -0.253 0.000 1.027 228 V CB -1.080 30.512 31.823 -0.386 0.000 0.646 228 V HN 0.455 nan 8.190 nan 0.000 0.447 229 A N -0.409 122.540 122.820 0.215 0.000 1.883 229 A HA -0.243 4.597 4.320 0.868 0.000 0.217 229 A C 2.402 180.126 177.584 0.234 0.000 1.186 229 A CA 2.625 54.886 52.037 0.374 0.000 0.624 229 A CB -1.028 18.196 19.000 0.374 0.000 0.822 229 A HN 0.517 nan 8.150 nan 0.000 0.444 230 T N -0.080 114.556 114.554 0.138 0.000 2.746 230 T HA -0.117 4.754 4.350 0.868 0.000 0.267 230 T C 1.902 176.623 174.700 0.035 0.000 1.039 230 T CA 1.676 63.825 62.100 0.082 0.000 1.142 230 T CB -0.196 68.702 68.868 0.051 0.000 0.866 230 T HN 0.525 nan 8.240 nan 0.000 0.444 231 K N 0.881 121.288 120.400 0.012 0.000 2.209 231 K HA -0.005 4.836 4.320 0.868 0.000 0.204 231 K C 2.694 179.312 176.600 0.030 0.000 1.048 231 K CA 0.963 57.242 56.287 -0.013 0.000 0.940 231 K CB -0.156 32.315 32.500 -0.048 0.000 0.729 231 K HN 0.177 nan 8.250 nan 0.000 0.451 232 S N 0.793 116.572 115.700 0.131 0.000 2.371 232 S HA -0.062 4.929 4.470 0.868 0.000 0.224 232 S C 1.863 176.525 174.600 0.104 0.000 1.029 232 S CA 0.780 59.152 58.200 0.287 0.000 0.978 232 S CB 0.066 63.601 63.200 0.559 0.000 0.833 232 S HN 0.223 nan 8.310 nan 0.000 0.466 233 R N 0.170 120.706 120.500 0.059 0.000 2.096 233 R HA -0.052 4.809 4.340 0.868 0.000 0.235 233 R C 2.400 178.443 176.300 -0.428 0.000 1.127 233 R CA 1.839 57.833 56.100 -0.177 0.000 0.968 233 R CB -0.975 29.314 30.300 -0.019 0.000 0.861 233 R HN 0.396 nan 8.270 nan 0.000 0.440 234 T N 2.293 116.699 114.554 -0.247 0.000 2.708 234 T HA -0.105 4.765 4.350 0.868 0.000 0.266 234 T C 1.722 176.271 174.700 -0.251 0.000 1.037 234 T CA 0.907 62.856 62.100 -0.252 0.000 1.146 234 T CB -0.203 68.578 68.868 -0.145 0.000 0.865 234 T HN 0.113 nan 8.240 nan 0.000 0.435 235 L N 1.131 122.229 121.223 -0.209 0.000 2.012 235 L HA -0.054 4.806 4.340 0.868 0.000 0.210 235 L C 2.230 178.934 176.870 -0.276 0.000 1.073 235 L CA 1.853 56.544 54.840 -0.247 0.000 0.748 235 L CB -1.112 40.754 42.059 -0.321 0.000 0.891 235 L HN 0.336 nan 8.230 nan 0.000 0.431 236 L N -0.159 120.883 121.223 -0.302 0.000 2.046 236 L HA -0.253 4.607 4.340 0.868 0.000 0.208 236 L C 2.734 179.532 176.870 -0.120 0.000 1.077 236 L CA 1.394 56.138 54.840 -0.159 0.000 0.747 236 L CB -0.484 41.562 42.059 -0.020 0.000 0.896 236 L HN 0.269 nan 8.230 nan 0.000 0.432 237 K N -0.181 119.917 120.400 -0.504 0.000 2.057 237 K HA -0.145 4.695 4.320 0.868 0.000 0.207 237 K C 1.945 178.470 176.600 -0.125 0.000 1.049 237 K CA 1.365 57.420 56.287 -0.386 0.000 0.931 237 K CB -0.191 31.954 32.500 -0.591 0.000 0.714 237 K HN 0.270 nan 8.250 nan 0.000 0.440 238 N N 0.490 119.099 118.700 -0.151 0.000 2.120 238 N HA -0.175 5.085 4.740 0.868 0.000 0.188 238 N C 1.762 177.229 175.510 -0.072 0.000 1.024 238 N CA 1.304 54.294 53.050 -0.100 0.000 0.852 238 N CB -0.483 37.939 38.487 -0.108 0.000 1.003 238 N HN 0.293 nan 8.380 nan 0.000 0.424 239 H N -0.218 118.731 119.070 -0.200 0.000 2.353 239 H HA 0.010 5.085 4.556 0.866 0.000 0.300 239 H C 1.612 176.758 175.328 -0.304 0.000 1.090 239 H CA 1.507 57.381 56.048 -0.289 0.000 1.327 239 H CB -0.379 29.149 29.762 -0.391 0.000 1.383 239 H HN 0.095 nan 8.280 nan 0.000 0.508 240 F N -0.097 119.804 119.950 -0.083 0.000 2.171 240 F HA -0.164 4.879 4.527 0.860 0.000 0.300 240 F C 2.686 178.418 175.800 -0.113 0.000 1.090 240 F CA 1.657 59.603 58.000 -0.090 0.000 1.293 240 F CB -0.705 38.319 39.000 0.039 0.000 1.013 240 F HN 0.155 nan 8.300 nan 0.000 0.486 241 T N -0.224 114.352 114.554 0.037 0.000 2.746 241 T HA -0.152 4.719 4.350 0.868 0.000 0.267 241 T C 2.031 176.684 174.700 -0.079 0.000 1.039 241 T CA 1.105 63.196 62.100 -0.014 0.000 1.142 241 T CB -0.108 68.744 68.868 -0.027 0.000 0.866 241 T HN 0.079 nan 8.240 nan 0.000 0.444 242 K N 1.313 121.630 120.400 -0.139 0.000 2.217 242 K HA 0.026 4.867 4.320 0.868 0.000 0.202 242 K C 2.264 178.756 176.600 -0.179 0.000 1.051 242 K CA 0.872 57.067 56.287 -0.153 0.000 0.952 242 K CB -0.366 32.023 32.500 -0.184 0.000 0.736 242 K HN 0.466 nan 8.250 nan 0.000 0.453 243 V N -1.537 118.198 119.914 -0.298 0.000 3.649 243 V HA 0.121 4.762 4.120 0.868 0.000 0.275 243 V C 0.664 176.675 176.094 -0.137 0.000 1.281 243 V CA -0.229 61.923 62.300 -0.247 0.000 1.143 243 V CB -0.097 31.454 31.823 -0.453 0.000 0.892 243 V HN -0.103 nan 8.190 nan 0.000 0.441 244 S N 1.469 117.102 115.700 -0.112 0.000 2.549 244 S HA 0.554 5.544 4.470 0.868 0.000 0.279 244 S C 1.007 175.470 174.600 -0.228 0.000 1.321 244 S CA 0.500 58.640 58.200 -0.100 0.000 1.054 244 S CB 0.465 63.635 63.200 -0.051 0.000 0.899 244 S HN 1.498 nan 8.310 nan 0.000 0.497 245 G N 2.605 111.232 108.800 -0.288 0.000 2.598 245 G HA2 -0.252 4.229 3.960 0.868 0.000 0.269 245 G HA3 -0.252 4.229 3.960 0.868 0.000 0.269 245 G C 0.159 174.287 174.900 -1.288 0.000 1.289 245 G CA -0.108 44.597 45.100 -0.658 0.000 0.926 245 G HN 0.979 nan 8.290 nan 0.000 0.567 246 S N 1.133 115.922 115.700 -1.519 0.000 2.562 246 S HA 0.493 5.483 4.470 0.868 0.000 0.281 246 S C -0.220 173.991 174.600 -0.650 0.000 1.333 246 S CA 0.040 57.487 58.200 -1.256 0.000 1.052 246 S CB 1.003 63.846 63.200 -0.594 0.000 0.884 246 S HN 0.679 nan 8.310 nan 0.000 0.506 247 P HA 0.205 nan 4.420 nan 0.000 0.275 247 P C 0.312 177.333 177.300 -0.465 0.000 1.310 247 P CA 0.166 62.945 63.100 -0.535 0.000 0.904 247 P CB 0.151 31.607 31.700 -0.407 0.000 1.381 248 H N -1.943 116.969 119.070 -0.263 0.000 2.544 248 H HA 0.076 5.150 4.556 0.864 0.000 0.269 248 H C 0.099 175.319 175.328 -0.179 0.000 0.970 248 H CA 0.379 56.341 56.048 -0.143 0.000 1.219 248 H CB -0.293 29.364 29.762 -0.175 0.000 1.421 248 H HN 0.154 nan 8.280 nan 0.000 0.555 249 W N 1.369 122.605 121.300 -0.108 0.000 5.361 249 W HA -0.295 4.887 4.660 0.870 0.000 0.385 249 W C 0.014 176.304 176.519 -0.382 0.000 1.458 249 W CA 0.434 57.633 57.345 -0.243 0.000 0.922 249 W CB -2.347 26.941 29.460 -0.286 0.000 2.606 249 W HN 0.348 nan 8.180 nan 0.000 1.450 250 N N -2.434 116.217 118.700 -0.082 0.000 2.948 250 N HA -0.196 5.065 4.740 0.868 0.000 0.239 250 N C -0.306 175.167 175.510 -0.062 0.000 0.954 250 N CA 1.670 54.703 53.050 -0.028 0.000 0.941 250 N CB -1.422 37.106 38.487 0.069 0.000 1.101 250 N HN 0.374 nan 8.380 nan 0.000 0.579 251 L N 1.890 122.992 121.223 -0.202 0.000 2.309 251 L HA 0.507 5.367 4.340 0.868 0.000 0.282 251 L C -1.774 175.052 176.870 -0.073 0.000 1.036 251 L CA -1.546 53.191 54.840 -0.171 0.000 0.806 251 L CB 1.612 43.401 42.059 -0.450 0.000 1.220 251 L HN -0.187 nan 8.230 nan 0.000 0.429 252 P HA 0.170 nan 4.420 nan 0.000 0.274 252 P C -0.696 176.749 177.300 0.242 0.000 1.256 252 P CA -0.255 62.849 63.100 0.008 0.000 0.795 252 P CB 1.069 32.777 31.700 0.013 0.000 1.038 253 T N -2.776 111.958 114.554 0.301 0.000 2.940 253 T HA 0.301 5.172 4.350 0.868 0.000 0.288 253 T C 0.835 175.609 174.700 0.123 0.000 1.045 253 T CA -0.571 61.634 62.100 0.176 0.000 1.018 253 T CB 0.542 69.436 68.868 0.043 0.000 1.151 253 T HN 0.214 nan 8.240 nan 0.000 0.529 254 F N 1.370 121.290 119.950 -0.050 0.000 2.065 254 F HA 0.230 5.278 4.527 0.868 0.000 0.298 254 F C 0.227 175.893 175.800 -0.223 0.000 1.112 254 F CA 0.922 58.848 58.000 -0.123 0.000 1.212 254 F CB -0.541 38.389 39.000 -0.115 0.000 0.975 254 F HN 0.458 nan 8.300 nan 0.000 0.476 255 L N -0.233 120.684 121.223 -0.510 0.000 2.370 255 L HA 0.462 5.323 4.340 0.868 0.000 0.266 255 L C -0.383 176.247 176.870 -0.401 0.000 1.002 255 L CA -0.738 53.696 54.840 -0.677 0.000 0.818 255 L CB 1.869 43.380 42.059 -0.915 0.000 1.325 255 L HN -0.063 nan 8.230 nan 0.000 0.418 256 S N 0.929 116.404 115.700 -0.374 0.000 2.564 256 S HA 0.647 5.637 4.470 0.868 0.000 0.274 256 S C -0.747 173.732 174.600 -0.202 0.000 1.124 256 S CA -0.876 57.164 58.200 -0.267 0.000 0.869 256 S CB 1.691 64.665 63.200 -0.377 0.000 1.105 256 S HN 0.462 nan 8.310 nan 0.000 0.472 257 R N 1.907 122.325 120.500 -0.137 0.000 2.652 257 R HA 0.364 5.224 4.340 0.868 0.000 0.271 257 R C 1.253 177.496 176.300 -0.095 0.000 1.129 257 R CA -0.544 55.496 56.100 -0.100 0.000 1.200 257 R CB -0.316 29.942 30.300 -0.071 0.000 1.146 257 R HN 0.752 nan 8.270 nan 0.000 0.581 258 L N 1.015 122.198 121.223 -0.068 0.000 2.465 258 L HA -0.123 4.738 4.340 0.868 0.000 0.224 258 L C 1.149 177.978 176.870 -0.069 0.000 1.145 258 L CA 0.966 55.771 54.840 -0.059 0.000 0.834 258 L CB -0.433 41.603 42.059 -0.037 0.000 0.944 258 L HN 0.602 nan 8.230 nan 0.000 0.451 259 D N -0.840 119.520 120.400 -0.067 0.000 2.339 259 D HA 0.049 5.210 4.640 0.868 0.000 0.217 259 D C 1.427 177.683 176.300 -0.073 0.000 1.050 259 D CA 0.709 54.669 54.000 -0.066 0.000 0.856 259 D CB 0.397 41.166 40.800 -0.052 0.000 0.922 259 D HN 0.199 nan 8.370 nan 0.000 0.518 260 G N -0.226 108.525 108.800 -0.082 0.000 2.195 260 G HA2 -0.270 4.211 3.960 0.868 0.000 0.246 260 G HA3 -0.270 4.211 3.960 0.868 0.000 0.246 260 G C 0.289 175.201 174.900 0.019 0.000 0.984 260 G CA 0.153 45.225 45.100 -0.046 0.000 0.633 260 G HN 0.386 nan 8.290 nan 0.000 0.525 261 S N 2.818 118.496 115.700 -0.037 0.000 2.516 261 S HA 0.435 5.426 4.470 0.868 0.000 0.282 261 S C -1.870 172.698 174.600 -0.054 0.000 1.286 261 S CA -0.442 57.730 58.200 -0.047 0.000 1.066 261 S CB 1.166 64.341 63.200 -0.042 0.000 0.884 261 S HN 0.280 nan 8.310 nan 0.000 0.491 262 P HA 0.020 nan 4.420 nan 0.000 0.265 262 P C -0.619 176.620 177.300 -0.101 0.000 1.187 262 P CA -0.144 62.876 63.100 -0.133 0.000 0.766 262 P CB 0.337 31.814 31.700 -0.373 0.000 0.820 263 V N 5.330 125.160 119.914 -0.139 0.000 2.555 263 V HA 0.062 4.702 4.120 0.868 0.000 0.286 263 V C 0.626 176.656 176.094 -0.107 0.000 1.044 263 V CA 0.121 62.341 62.300 -0.133 0.000 1.026 263 V CB 0.171 31.866 31.823 -0.213 0.000 0.981 263 V HN 0.354 nan 8.190 nan 0.000 0.480 264 I N 4.885 125.424 120.570 -0.051 0.000 2.315 264 I HA 0.589 5.279 4.170 0.868 0.000 0.291 264 I C 0.925 177.002 176.117 -0.067 0.000 1.006 264 I CA 0.523 61.817 61.300 -0.009 0.000 1.265 264 I CB 0.154 38.205 38.000 0.084 0.000 1.387 264 I HN 0.891 nan 8.210 nan 0.000 0.475 265 G N 6.523 115.239 108.800 -0.140 0.000 2.601 265 G HA2 -0.290 4.191 3.960 0.868 0.000 0.252 265 G HA3 -0.290 4.191 3.960 0.868 0.000 0.252 265 G C -0.713 173.949 174.900 -0.396 0.000 1.294 265 G CA -0.324 44.631 45.100 -0.242 0.000 0.912 265 G HN 0.477 nan 8.290 nan 0.000 0.574 266 Y N 0.320 120.539 120.300 -0.134 0.000 2.299 266 Y HA 0.540 5.612 4.550 0.869 0.000 0.326 266 Y C 1.730 177.550 175.900 -0.134 0.000 1.164 266 Y CA 0.258 58.246 58.100 -0.186 0.000 1.234 266 Y CB 1.115 39.461 38.460 -0.190 0.000 1.219 266 Y HN 0.667 nan 8.280 nan 0.000 0.497 267 I N -0.885 119.679 120.570 -0.011 0.000 4.557 267 I HA 0.406 5.096 4.170 0.868 0.000 0.333 267 I C -0.797 175.429 176.117 0.182 0.000 1.332 267 I CA -0.213 61.127 61.300 0.068 0.000 1.240 267 I CB 0.675 38.721 38.000 0.077 0.000 1.312 267 I HN 0.312 nan 8.210 nan 0.000 0.457 268 F N -0.246 119.747 119.950 0.073 0.000 2.678 268 F HA 0.520 5.568 4.527 0.867 0.000 0.308 268 F C -1.273 174.573 175.800 0.077 0.000 1.118 268 F CA -1.257 56.785 58.000 0.070 0.000 0.959 268 F CB 0.401 39.449 39.000 0.080 0.000 1.305 268 F HN -0.181 nan 8.300 nan 0.000 0.443 269 N N 0.918 119.736 118.700 0.197 0.000 2.497 269 N HA 0.437 5.698 4.740 0.868 0.000 0.268 269 N C 0.801 176.431 175.510 0.200 0.000 1.171 269 N CA 0.951 54.054 53.050 0.088 0.000 0.948 269 N CB 1.033 39.575 38.487 0.092 0.000 1.069 269 N HN 1.194 nan 8.380 nan 0.000 0.460 270 G N 1.210 110.044 108.800 0.057 0.000 2.232 270 G HA2 -0.304 4.176 3.960 0.868 0.000 0.226 270 G HA3 -0.304 4.176 3.960 0.868 0.000 0.226 270 G C 0.154 175.100 174.900 0.076 0.000 0.996 270 G CA -0.350 44.838 45.100 0.147 0.000 0.626 270 G HN 0.631 nan 8.290 nan 0.000 0.509 271 Q N 0.716 120.292 119.800 -0.374 0.000 2.286 271 Q HA 0.517 5.378 4.340 0.868 0.000 0.290 271 Q C 1.726 177.737 176.000 0.018 0.000 1.049 271 Q CA 0.770 56.312 55.803 -0.435 0.000 0.923 271 Q CB 0.869 28.998 28.738 -1.015 0.000 1.183 271 Q HN 0.773 nan 8.270 nan 0.000 0.383 272 A N 4.900 127.806 122.820 0.144 0.000 1.929 272 A HA -0.017 4.824 4.320 0.868 0.000 0.216 272 A C 0.294 177.886 177.584 0.013 0.000 1.176 272 A CA 0.997 53.080 52.037 0.078 0.000 0.628 272 A CB 0.169 19.183 19.000 0.024 0.000 0.816 272 A HN 0.834 nan 8.150 nan 0.000 0.444 273 N N -1.926 116.732 118.700 -0.071 0.000 2.591 273 N HA 0.347 5.608 4.740 0.868 0.000 0.263 273 N C -3.349 171.772 175.510 -0.649 0.000 1.308 273 N CA -1.364 51.432 53.050 -0.422 0.000 0.837 273 N CB 1.217 39.417 38.487 -0.478 0.000 1.548 273 N HN -0.224 nan 8.380 nan 0.000 0.493 274 P HA 0.043 nan 4.420 nan 0.000 0.265 274 P C 0.908 177.910 177.300 -0.498 0.000 1.187 274 P CA 0.198 62.612 63.100 -1.142 0.000 0.766 274 P CB 0.437 31.440 31.700 -1.162 0.000 0.820 275 G N 2.558 111.133 108.800 -0.375 0.000 2.448 275 G HA2 -0.240 4.241 3.960 0.868 0.000 0.219 275 G HA3 -0.240 4.241 3.960 0.868 0.000 0.219 275 G C 1.029 175.868 174.900 -0.102 0.000 1.127 275 G CA 0.396 45.351 45.100 -0.242 0.000 0.766 275 G HN 0.626 nan 8.290 nan 0.000 0.552 276 Q N -0.695 119.054 119.800 -0.085 0.000 2.360 276 Q HA 0.020 4.880 4.340 0.868 0.000 0.202 276 Q C -0.156 175.926 176.000 0.137 0.000 0.915 276 Q CA -0.440 55.339 55.803 -0.041 0.000 0.943 276 Q CB -0.146 28.508 28.738 -0.140 0.000 1.064 276 Q HN 0.387 nan 8.270 nan 0.000 0.511 277 W N 1.810 123.072 121.300 -0.062 0.000 2.216 277 W HA 0.155 5.349 4.660 0.889 0.000 0.326 277 W C -0.052 176.507 176.519 0.066 0.000 1.319 277 W CA -1.471 55.865 57.345 -0.015 0.000 1.213 277 W CB -0.148 29.275 29.460 -0.062 0.000 1.171 277 W HN 0.101 nan 8.180 nan 0.000 0.557 278 Y N 5.324 125.717 120.300 0.154 0.000 2.624 278 Y HA 0.218 5.290 4.550 0.870 0.000 0.354 278 Y C 0.235 176.187 175.900 0.086 0.000 1.051 278 Y CA 0.017 58.208 58.100 0.151 0.000 1.377 278 Y CB -0.214 38.357 38.460 0.186 0.000 1.168 278 Y HN 0.502 nan 8.280 nan 0.000 0.525 279 E N 3.088 123.067 120.200 -0.368 0.000 2.475 279 E HA 0.306 5.177 4.350 0.868 0.000 0.221 279 E C 0.055 175.972 176.600 -1.139 0.000 0.793 279 E CA -0.381 55.596 56.400 -0.706 0.000 0.922 279 E CB -0.290 29.136 29.700 -0.457 0.000 1.778 279 E HN 0.282 nan 8.360 nan 0.000 0.392 280 F N 0.766 120.200 119.950 -0.860 0.000 2.171 280 F HA -0.024 5.028 4.527 0.874 0.000 0.300 280 F C 1.590 176.974 175.800 -0.694 0.000 1.090 280 F CA 1.558 58.735 58.000 -1.373 0.000 1.293 280 F CB -0.662 37.732 39.000 -1.009 0.000 1.013 280 F HN 0.293 nan 8.300 nan 0.000 0.486 281 D N 0.376 120.650 120.400 -0.210 0.000 2.084 281 D HA -0.127 5.034 4.640 0.868 0.000 0.194 281 D C 2.376 178.746 176.300 0.117 0.000 0.990 281 D CA 1.572 55.627 54.000 0.092 0.000 0.826 281 D CB -0.687 40.236 40.800 0.207 0.000 0.971 281 D HN 0.190 nan 8.370 nan 0.000 0.453 282 A N 0.437 123.248 122.820 -0.014 0.000 2.019 282 A HA -0.168 4.673 4.320 0.868 0.000 0.219 282 A C 1.745 179.435 177.584 0.177 0.000 1.164 282 A CA 0.879 52.960 52.037 0.073 0.000 0.644 282 A CB -1.023 18.005 19.000 0.045 0.000 0.805 282 A HN 0.268 nan 8.150 nan 0.000 0.449 283 W N 0.401 121.624 121.300 -0.128 0.000 2.308 283 W HA -0.185 5.016 4.660 0.902 0.000 0.301 283 W C 2.225 178.857 176.519 0.187 0.000 1.220 283 W CA 1.358 58.733 57.345 0.050 0.000 1.240 283 W CB -0.782 28.758 29.460 0.133 0.000 1.142 283 W HN 0.396 nan 8.180 nan 0.000 0.521 284 R N -0.364 120.392 120.500 0.428 0.000 2.275 284 R HA 0.022 4.883 4.340 0.868 0.000 0.199 284 R C 1.898 178.361 176.300 0.271 0.000 0.989 284 R CA 0.588 56.882 56.100 0.323 0.000 1.016 284 R CB -0.483 30.029 30.300 0.353 0.000 0.918 284 R HN 0.041 nan 8.270 nan 0.000 0.473 285 V N 2.329 122.429 119.914 0.311 0.000 2.255 285 V HA -0.271 4.369 4.120 0.868 0.000 0.247 285 V C 2.322 178.596 176.094 0.301 0.000 1.051 285 V CA 2.198 64.688 62.300 0.317 0.000 1.018 285 V CB -0.505 31.528 31.823 0.350 0.000 0.641 285 V HN 0.405 nan 8.190 nan 0.000 0.445 286 I N -1.920 118.825 120.570 0.293 0.000 2.614 286 I HA -0.210 4.480 4.170 0.868 0.000 0.258 286 I C 2.387 178.520 176.117 0.026 0.000 1.189 286 I CA 1.751 63.141 61.300 0.149 0.000 1.462 286 I CB -0.487 37.564 38.000 0.085 0.000 1.092 286 I HN 0.311 nan 8.210 nan 0.000 0.442 287 M N 2.011 121.631 119.600 0.033 0.000 2.080 287 M HA -0.215 4.786 4.480 0.868 0.000 0.260 287 M C 1.877 178.093 176.300 -0.140 0.000 1.068 287 M CA 2.079 57.327 55.300 -0.086 0.000 1.109 287 M CB -0.318 32.245 32.600 -0.061 0.000 1.342 287 M HN 0.307 nan 8.290 nan 0.000 0.405 288 N N -0.031 118.647 118.700 -0.038 0.000 2.244 288 N HA -0.113 5.148 4.740 0.868 0.000 0.183 288 N C 1.664 177.159 175.510 -0.024 0.000 1.016 288 N CA 1.423 54.437 53.050 -0.059 0.000 0.866 288 N CB -0.583 37.928 38.487 0.039 0.000 0.980 288 N HN 0.278 nan 8.380 nan 0.000 0.430 289 V N 0.786 120.724 119.914 0.039 0.000 2.358 289 V HA -0.126 4.515 4.120 0.868 0.000 0.246 289 V C 2.445 178.500 176.094 -0.066 0.000 1.047 289 V CA 1.987 64.304 62.300 0.028 0.000 1.035 289 V CB -1.216 30.585 31.823 -0.037 0.000 0.658 289 V HN 0.322 nan 8.190 nan 0.000 0.452 290 G N -0.298 108.424 108.800 -0.130 0.000 2.446 290 G HA2 -0.289 4.192 3.960 0.868 0.000 0.217 290 G HA3 -0.289 4.192 3.960 0.868 0.000 0.217 290 G C 1.669 176.457 174.900 -0.188 0.000 1.168 290 G CA 1.210 46.203 45.100 -0.179 0.000 0.771 290 G HN 0.467 nan 8.290 nan 0.000 0.551 291 L N 0.205 121.279 121.223 -0.248 0.000 1.989 291 L HA -0.130 4.730 4.340 0.868 0.000 0.211 291 L C 2.489 179.282 176.870 -0.128 0.000 1.071 291 L CA 2.584 57.281 54.840 -0.238 0.000 0.749 291 L CB -0.404 41.435 42.059 -0.367 0.000 0.890 291 L HN 0.294 nan 8.230 nan 0.000 0.431 292 D N -0.483 119.859 120.400 -0.096 0.000 2.117 292 D HA -0.204 4.956 4.640 0.868 0.000 0.197 292 D C 2.135 178.334 176.300 -0.168 0.000 0.987 292 D CA 1.500 55.485 54.000 -0.025 0.000 0.829 292 D CB 0.020 40.920 40.800 0.168 0.000 0.961 292 D HN 0.481 nan 8.370 nan 0.000 0.460 293 A N -0.570 122.045 122.820 -0.343 0.000 1.902 293 A HA -0.243 4.597 4.320 0.868 0.000 0.217 293 A C 2.195 179.609 177.584 -0.284 0.000 1.181 293 A CA 1.888 53.567 52.037 -0.598 0.000 0.623 293 A CB -1.135 17.513 19.000 -0.587 0.000 0.818 293 A HN 0.560 nan 8.150 nan 0.000 0.443 294 H N -0.873 118.026 119.070 -0.285 0.000 2.270 294 H HA -0.072 5.006 4.556 0.869 0.000 0.299 294 H C 1.876 177.051 175.328 -0.255 0.000 1.077 294 H CA 1.420 57.329 56.048 -0.231 0.000 1.294 294 H CB -0.024 29.646 29.762 -0.154 0.000 1.371 294 H HN 0.307 nan 8.280 nan 0.000 0.491 295 L N 0.100 121.139 121.223 -0.307 0.000 2.131 295 L HA -0.094 4.766 4.340 0.868 0.000 0.206 295 L C 1.675 178.402 176.870 -0.239 0.000 1.087 295 L CA 1.047 55.614 54.840 -0.456 0.000 0.767 295 L CB -0.266 41.450 42.059 -0.571 0.000 0.917 295 L HN 0.474 nan 8.230 nan 0.000 0.441 296 M N -1.366 118.159 119.600 -0.126 0.000 2.306 296 M HA 0.359 5.359 4.480 0.868 0.000 0.292 296 M C 0.568 176.832 176.300 -0.059 0.000 1.018 296 M CA 0.195 55.489 55.300 -0.010 0.000 1.007 296 M CB 0.269 32.932 32.600 0.104 0.000 1.510 296 M HN 0.138 nan 8.290 nan 0.000 0.537 297 G N 1.266 109.965 108.800 -0.167 0.000 2.770 297 G HA2 0.183 4.663 3.960 0.868 0.000 0.686 297 G HA3 0.183 4.663 3.960 0.868 0.000 0.686 297 G C -0.791 173.880 174.900 -0.382 0.000 1.180 297 G CA -0.624 44.355 45.100 -0.201 0.000 0.767 297 G HN 0.568 nan 8.290 nan 0.000 0.646 298 A N 2.307 124.899 122.820 -0.380 0.000 2.320 298 A HA 0.756 5.597 4.320 0.868 0.000 0.287 298 A C 0.394 177.836 177.584 -0.236 0.000 1.181 298 A CA -0.099 51.633 52.037 -0.509 0.000 0.831 298 A CB 0.769 19.556 19.000 -0.356 0.000 1.102 298 A HN 0.717 nan 8.150 nan 0.000 0.513 299 Q N 0.799 120.564 119.800 -0.058 0.000 2.333 299 Q HA 0.570 5.430 4.340 0.868 0.000 0.266 299 Q C 1.296 177.292 176.000 -0.007 0.000 1.053 299 Q CA -0.047 55.793 55.803 0.061 0.000 0.890 299 Q CB 1.596 30.463 28.738 0.215 0.000 1.337 299 Q HN 0.771 nan 8.270 nan 0.000 0.474 300 A N 1.217 124.062 122.820 0.041 0.000 1.948 300 A HA -0.172 4.669 4.320 0.868 0.000 0.220 300 A C 1.624 179.224 177.584 0.026 0.000 1.177 300 A CA 2.067 54.120 52.037 0.028 0.000 0.636 300 A CB -0.896 18.141 19.000 0.061 0.000 0.815 300 A HN 0.875 nan 8.150 nan 0.000 0.449 301 W N -0.118 121.160 121.300 -0.036 0.000 2.388 301 W HA -0.158 5.021 4.660 0.866 0.000 0.294 301 W C 1.519 177.920 176.519 -0.195 0.000 1.212 301 W CA 1.267 58.537 57.345 -0.125 0.000 1.271 301 W CB -1.179 28.186 29.460 -0.159 0.000 1.126 301 W HN 0.535 nan 8.180 nan 0.000 0.535 302 H N 1.480 119.941 119.070 -1.016 0.000 2.319 302 H HA -0.098 4.977 4.556 0.866 0.000 0.299 302 H C 2.230 177.255 175.328 -0.505 0.000 1.092 302 H CA 2.974 58.421 56.048 -1.002 0.000 1.302 302 H CB -0.361 28.840 29.762 -0.937 0.000 1.373 302 H HN 0.068 nan 8.280 nan 0.000 0.497 303 K N -0.138 120.136 120.400 -0.210 0.000 2.057 303 K HA -0.120 4.720 4.320 0.868 0.000 0.207 303 K C 2.547 179.065 176.600 -0.136 0.000 1.049 303 K CA 1.273 57.470 56.287 -0.150 0.000 0.931 303 K CB -0.158 32.280 32.500 -0.104 0.000 0.714 303 K HN 0.101 nan 8.250 nan 0.000 0.440 304 S N 0.719 116.352 115.700 -0.112 0.000 2.356 304 S HA -0.170 4.820 4.470 0.868 0.000 0.223 304 S C 2.102 176.615 174.600 -0.145 0.000 1.032 304 S CA 1.272 59.423 58.200 -0.081 0.000 1.005 304 S CB -0.278 62.910 63.200 -0.018 0.000 0.867 304 S HN 0.366 nan 8.310 nan 0.000 0.449 305 A N 0.943 123.588 122.820 -0.291 0.000 1.859 305 A HA -0.083 4.758 4.320 0.868 0.000 0.217 305 A C 2.381 179.715 177.584 -0.417 0.000 1.198 305 A CA 2.199 53.854 52.037 -0.636 0.000 0.629 305 A CB -1.294 16.879 19.000 -1.378 0.000 0.830 305 A HN 0.472 nan 8.150 nan 0.000 0.446 306 V N 0.751 120.467 119.914 -0.330 0.000 2.307 306 V HA -0.241 4.400 4.120 0.868 0.000 0.245 306 V C 2.331 178.319 176.094 -0.175 0.000 1.045 306 V CA 2.131 64.295 62.300 -0.227 0.000 1.024 306 V CB -1.027 30.672 31.823 -0.207 0.000 0.651 306 V HN 0.549 nan 8.190 nan 0.000 0.449 307 N N 0.299 118.915 118.700 -0.139 0.000 2.166 307 N HA -0.145 5.116 4.740 0.868 0.000 0.186 307 N C 1.840 177.310 175.510 -0.067 0.000 1.019 307 N CA 1.336 54.329 53.050 -0.095 0.000 0.856 307 N CB -0.251 38.200 38.487 -0.060 0.000 0.993 307 N HN 0.517 nan 8.380 nan 0.000 0.426 308 K N 0.600 120.970 120.400 -0.049 0.000 2.062 308 K HA 0.090 4.931 4.320 0.868 0.000 0.205 308 K C 2.090 178.706 176.600 0.025 0.000 1.051 308 K CA 1.035 57.326 56.287 0.007 0.000 0.941 308 K CB -0.062 32.456 32.500 0.030 0.000 0.719 308 K HN 0.095 nan 8.250 nan 0.000 0.440 309 A N 1.489 124.304 122.820 -0.008 0.000 1.855 309 A HA -0.123 4.718 4.320 0.868 0.000 0.215 309 A C 2.115 179.649 177.584 -0.083 0.000 1.191 309 A CA 1.224 53.255 52.037 -0.010 0.000 0.613 309 A CB -0.737 18.271 19.000 0.012 0.000 0.829 309 A HN 0.145 nan 8.150 nan 0.000 0.442 310 L N -0.551 120.552 121.223 -0.202 0.000 2.079 310 L HA -0.158 4.703 4.340 0.868 0.000 0.210 310 L C 2.798 179.620 176.870 -0.081 0.000 1.081 310 L CA 1.068 55.699 54.840 -0.348 0.000 0.752 310 L CB -0.944 40.751 42.059 -0.607 0.000 0.896 310 L HN 0.515 nan 8.230 nan 0.000 0.433 311 G N -0.118 108.666 108.800 -0.027 0.000 2.440 311 G HA2 -0.336 4.145 3.960 0.868 0.000 0.218 311 G HA3 -0.336 4.145 3.960 0.868 0.000 0.218 311 G C 1.479 176.401 174.900 0.036 0.000 1.154 311 G CA 0.690 45.808 45.100 0.029 0.000 0.767 311 G HN 0.337 nan 8.290 nan 0.000 0.552 312 F N 1.164 121.071 119.950 -0.071 0.000 2.146 312 F HA 0.102 5.184 4.527 0.926 0.000 0.298 312 F C 2.420 178.162 175.800 -0.096 0.000 1.096 312 F CA 1.020 58.970 58.000 -0.083 0.000 1.275 312 F CB -0.195 38.725 39.000 -0.132 0.000 1.008 312 F HN 0.039 nan 8.300 nan 0.000 0.480 313 L N -0.471 120.636 121.223 -0.194 0.000 2.046 313 L HA -0.233 4.627 4.340 0.868 0.000 0.208 313 L C 2.517 179.259 176.870 -0.214 0.000 1.077 313 L CA 1.478 56.098 54.840 -0.366 0.000 0.747 313 L CB -0.981 40.747 42.059 -0.551 0.000 0.896 313 L HN 0.104 nan 8.230 nan 0.000 0.432 314 S N -1.101 114.579 115.700 -0.033 0.000 2.383 314 S HA -0.226 4.765 4.470 0.868 0.000 0.227 314 S C 1.861 176.418 174.600 -0.071 0.000 1.026 314 S CA 1.170 59.367 58.200 -0.005 0.000 0.981 314 S CB -0.419 62.822 63.200 0.069 0.000 0.818 314 S HN 0.456 nan 8.310 nan 0.000 0.472 315 Y N 2.501 122.646 120.300 -0.260 0.000 2.181 315 Y HA -0.135 4.933 4.550 0.864 0.000 0.288 315 Y C 2.335 178.012 175.900 -0.372 0.000 1.146 315 Y CA 1.046 58.964 58.100 -0.303 0.000 1.164 315 Y CB -0.684 37.564 38.460 -0.353 0.000 0.982 315 Y HN 0.206 nan 8.280 nan 0.000 0.515 316 A N 0.643 123.126 122.820 -0.562 0.000 1.933 316 A HA -0.219 4.622 4.320 0.868 0.000 0.218 316 A C 2.304 179.738 177.584 -0.249 0.000 1.175 316 A CA 1.871 53.585 52.037 -0.539 0.000 0.628 316 A CB -0.788 17.798 19.000 -0.691 0.000 0.814 316 A HN 0.576 nan 8.150 nan 0.000 0.444 317 K N -0.118 120.206 120.400 -0.127 0.000 2.057 317 K HA -0.163 4.678 4.320 0.868 0.000 0.207 317 K C 2.093 178.616 176.600 -0.129 0.000 1.049 317 K CA 2.030 58.295 56.287 -0.038 0.000 0.931 317 K CB -0.422 32.100 32.500 0.037 0.000 0.714 317 K HN 0.585 nan 8.250 nan 0.000 0.440 318 T N -1.057 113.375 114.554 -0.202 0.000 2.929 318 T HA -0.070 4.801 4.350 0.868 0.000 0.271 318 T C 1.210 175.759 174.700 -0.252 0.000 1.085 318 T CA 1.062 63.036 62.100 -0.210 0.000 1.125 318 T CB -0.178 68.563 68.868 -0.213 0.000 0.874 318 T HN 0.125 nan 8.240 nan 0.000 0.494 319 N N 2.142 120.634 118.700 -0.348 0.000 2.380 319 N HA 0.197 5.458 4.740 0.868 0.000 0.255 319 N C -0.747 174.669 175.510 -0.157 0.000 1.158 319 N CA -0.078 52.794 53.050 -0.296 0.000 0.878 319 N CB 0.136 38.348 38.487 -0.459 0.000 1.138 319 N HN 0.463 nan 8.380 nan 0.000 0.509 320 N N 0.180 118.814 118.700 -0.111 0.000 2.314 320 N HA 0.067 5.328 4.740 0.868 0.000 0.294 320 N C 0.973 176.450 175.510 -0.054 0.000 1.029 320 N CA -0.087 52.930 53.050 -0.054 0.000 0.845 320 N CB 1.547 40.022 38.487 -0.019 0.000 1.321 320 N HN -0.016 nan 8.380 nan 0.000 0.481 321 S N 2.845 118.520 115.700 -0.041 0.000 2.474 321 S HA -0.043 4.947 4.470 0.868 0.000 0.235 321 S C 0.960 175.538 174.600 -0.037 0.000 0.997 321 S CA 0.923 59.100 58.200 -0.038 0.000 0.949 321 S CB -0.029 63.154 63.200 -0.029 0.000 0.766 321 S HN 0.606 nan 8.310 nan 0.000 0.517 322 K N 0.965 121.343 120.400 -0.037 0.000 2.404 322 K HA 0.228 5.068 4.320 0.868 0.000 0.194 322 K C 0.262 176.832 176.600 -0.050 0.000 1.023 322 K CA 0.169 56.432 56.287 -0.040 0.000 1.094 322 K CB -0.144 32.333 32.500 -0.039 0.000 0.841 322 K HN 0.354 nan 8.250 nan 0.000 0.523 323 N N 0.922 119.590 118.700 -0.053 0.000 2.740 323 N HA -0.175 5.086 4.740 0.868 0.000 0.248 323 N C -1.249 174.217 175.510 -0.074 0.000 1.062 323 N CA 0.817 53.830 53.050 -0.062 0.000 0.704 323 N CB -1.605 36.846 38.487 -0.061 0.000 0.968 323 N HN 0.480 nan 8.380 nan 0.000 0.547 324 c N -0.675 117.884 118.600 -0.068 0.000 2.994 324 c HA 0.819 5.910 4.570 0.868 0.000 0.305 324 c C 0.196 174.277 174.090 -0.015 0.000 1.251 324 c CA -1.518 54.742 56.329 -0.116 0.000 1.478 324 c CB 0.493 42.911 42.510 -0.153 0.000 1.922 324 c HN 0.361 nan 8.230 nan 0.000 0.472 325 Y N 0.335 120.654 120.300 0.031 0.000 2.301 325 Y HA 0.740 5.281 4.550 -0.016 0.000 0.325 325 Y C 0.214 176.231 175.900 0.195 0.000 1.203 325 Y CA -0.508 57.680 58.100 0.146 0.000 1.255 325 Y CB 0.412 38.947 38.460 0.125 0.000 1.232 325 Y HN 0.773 nan 8.280 nan 0.000 0.501 326 E N 1.441 121.929 120.200 0.479 0.000 2.292 326 E HA 0.130 5.001 4.350 0.868 0.000 0.258 326 E C 0.377 177.197 176.600 0.367 0.000 1.115 326 E CA -0.745 55.783 56.400 0.213 0.000 0.929 326 E CB 0.977 30.637 29.700 -0.067 0.000 1.161 326 E HN 0.810 nan 8.360 nan 0.000 0.453 327 Q N -0.378 119.556 119.800 0.224 0.000 2.230 327 Q HA 0.012 4.872 4.340 0.868 0.000 0.202 327 Q C -0.097 176.098 176.000 0.325 0.000 0.963 327 Q CA 0.712 56.754 55.803 0.399 0.000 0.866 327 Q CB 0.475 29.489 28.738 0.460 0.000 0.931 327 Q HN 0.150 nan 8.270 nan 0.000 0.452 328 V N 0.614 120.525 119.914 -0.005 0.000 2.569 328 V HA 0.326 4.966 4.120 0.868 0.000 0.301 328 V C -1.362 174.478 176.094 -0.425 0.000 1.044 328 V CA -0.815 61.351 62.300 -0.223 0.000 0.874 328 V CB 1.116 32.619 31.823 -0.534 0.000 1.002 328 V HN 0.054 nan 8.190 nan 0.000 0.424 329 Y N 1.706 122.029 120.300 0.038 0.000 2.485 329 Y HA 0.730 5.773 4.550 0.821 0.000 0.345 329 Y C 0.362 176.170 175.900 -0.152 0.000 0.998 329 Y CA -0.581 57.517 58.100 -0.004 0.000 1.059 329 Y CB 2.467 41.008 38.460 0.135 0.000 1.234 329 Y HN 0.555 nan 8.280 nan 0.000 0.461 330 S N 1.744 117.439 115.700 -0.008 0.000 2.677 330 S HA 0.413 5.404 4.470 0.868 0.000 0.283 330 S C -1.481 173.222 174.600 0.172 0.000 1.159 330 S CA -0.569 57.625 58.200 -0.010 0.000 1.001 330 S CB 0.008 63.182 63.200 -0.044 0.000 1.032 330 S HN 0.625 nan 8.310 nan 0.000 0.487 331 Y N 2.199 122.617 120.300 0.197 0.000 3.491 331 Y HA -0.271 4.799 4.550 0.866 0.000 0.215 331 Y C 1.511 177.575 175.900 0.273 0.000 1.219 331 Y CA 1.347 59.538 58.100 0.153 0.000 1.485 331 Y CB -1.854 36.665 38.460 0.097 0.000 1.450 331 Y HN 1.442 nan 8.280 nan 0.000 0.603 332 G N -1.916 107.076 108.800 0.321 0.000 2.179 332 G HA2 -0.091 4.390 3.960 0.868 0.000 0.260 332 G HA3 -0.091 4.390 3.960 0.868 0.000 0.260 332 G C 0.490 175.689 174.900 0.498 0.000 0.977 332 G CA 0.154 45.431 45.100 0.296 0.000 0.641 332 G HN 1.420 nan 8.290 nan 0.000 0.533 333 G N -0.255 108.807 108.800 0.437 0.000 2.416 333 G HA2 0.792 5.273 3.960 0.868 0.000 0.324 333 G HA3 0.792 5.273 3.960 0.868 0.000 0.324 333 G C 0.183 175.226 174.900 0.238 0.000 1.194 333 G CA 0.493 45.805 45.100 0.354 0.000 0.922 333 G HN 1.469 nan 8.290 nan 0.000 0.467 334 A N 2.109 125.004 122.820 0.126 0.000 2.488 334 A HA 0.402 5.243 4.320 0.868 0.000 0.249 334 A C 0.910 178.347 177.584 -0.246 0.000 1.083 334 A CA -0.145 51.704 52.037 -0.313 0.000 0.768 334 A CB 0.479 19.375 19.000 -0.175 0.000 1.017 334 A HN 0.577 nan 8.150 nan 0.000 0.496 335 Q N 1.238 120.804 119.800 -0.391 0.000 2.246 335 Q HA 0.032 4.892 4.340 0.868 0.000 0.202 335 Q C 0.015 175.895 176.000 -0.200 0.000 0.883 335 Q CA -0.064 55.550 55.803 -0.316 0.000 0.952 335 Q CB -0.042 28.335 28.738 -0.602 0.000 1.078 335 Q HN 0.902 nan 8.270 nan 0.000 0.493 336 N N 1.429 120.026 118.700 -0.171 0.000 2.758 336 N HA -0.160 5.101 4.740 0.868 0.000 0.248 336 N C -0.508 174.969 175.510 -0.055 0.000 1.076 336 N CA 0.319 53.319 53.050 -0.084 0.000 0.696 336 N CB -0.348 38.115 38.487 -0.039 0.000 0.979 336 N HN 0.106 nan 8.380 nan 0.000 0.550 337 R N 0.227 120.682 120.500 -0.076 0.000 2.552 337 R HA 0.482 5.342 4.340 0.868 0.000 0.314 337 R C 0.976 177.303 176.300 0.046 0.000 1.041 337 R CA 0.441 56.544 56.100 0.006 0.000 1.076 337 R CB -0.217 30.093 30.300 0.017 0.000 1.290 337 R HN 0.491 nan 8.270 nan 0.000 0.563 338 G N 0.453 109.257 108.800 0.007 0.000 2.697 338 G HA2 -0.202 4.278 3.960 0.868 0.000 0.686 338 G HA3 -0.202 4.278 3.960 0.868 0.000 0.686 338 G C -0.192 174.715 174.900 0.013 0.000 1.179 338 G CA -0.993 44.116 45.100 0.015 0.000 0.765 338 G HN 0.199 nan 8.290 nan 0.000 0.649 339 c N 1.638 120.226 118.600 -0.020 0.000 2.657 339 c HA 0.541 5.632 4.570 0.868 0.000 0.420 339 c C 1.870 175.918 174.090 -0.070 0.000 1.323 339 c CA 0.647 56.940 56.329 -0.060 0.000 1.894 339 c CB -0.259 42.197 42.510 -0.089 0.000 2.681 339 c HN 2.058 nan 8.230 nan 0.000 0.613 340 A N 3.560 126.279 122.820 -0.169 0.000 2.584 340 A HA 0.438 5.278 4.320 0.868 0.000 0.239 340 A C 0.911 178.405 177.584 -0.151 0.000 1.043 340 A CA 0.801 52.713 52.037 -0.208 0.000 0.756 340 A CB -0.206 18.518 19.000 -0.460 0.000 0.963 340 A HN 1.179 nan 8.150 nan 0.000 0.511 341 G N 1.100 109.849 108.800 -0.086 0.000 2.606 341 G HA2 0.456 4.936 3.960 0.868 0.000 0.262 341 G HA3 0.456 4.936 3.960 0.868 0.000 0.262 341 G C 0.368 175.263 174.900 -0.008 0.000 1.394 341 G CA -0.003 45.089 45.100 -0.012 0.000 1.044 341 G HN 0.673 nan 8.290 nan 0.000 0.553 342 E N -0.413 119.827 120.200 0.067 0.000 2.106 342 E HA 0.019 4.889 4.350 0.868 0.000 0.192 342 E C 2.490 179.200 176.600 0.184 0.000 0.984 342 E CA 1.174 57.650 56.400 0.126 0.000 0.806 342 E CB -0.321 29.439 29.700 0.101 0.000 0.750 342 E HN 0.458 nan 8.360 nan 0.000 0.458 343 G N 0.684 109.582 108.800 0.164 0.000 2.418 343 G HA2 -0.349 4.132 3.960 0.868 0.000 0.217 343 G HA3 -0.349 4.132 3.960 0.868 0.000 0.217 343 G C 1.537 176.463 174.900 0.043 0.000 1.158 343 G CA 0.775 45.976 45.100 0.168 0.000 0.771 343 G HN 0.246 nan 8.290 nan 0.000 0.545 344 Q N 0.066 119.686 119.800 -0.300 0.000 2.119 344 Q HA -0.039 4.822 4.340 0.868 0.000 0.201 344 Q C 2.457 178.401 176.000 -0.093 0.000 0.972 344 Q CA 1.180 56.638 55.803 -0.574 0.000 0.847 344 Q CB -0.089 27.858 28.738 -1.317 0.000 0.903 344 Q HN 0.423 nan 8.270 nan 0.000 0.433 345 K N -0.106 120.306 120.400 0.020 0.000 2.097 345 K HA -0.107 4.734 4.320 0.868 0.000 0.206 345 K C 2.020 178.711 176.600 0.152 0.000 1.049 345 K CA 1.050 57.449 56.287 0.186 0.000 0.933 345 K CB -0.105 32.516 32.500 0.202 0.000 0.717 345 K HN 0.223 nan 8.250 nan 0.000 0.442 346 A N 1.491 124.381 122.820 0.117 0.000 1.898 346 A HA -0.100 4.740 4.320 0.868 0.000 0.216 346 A C 2.376 179.814 177.584 -0.243 0.000 1.181 346 A CA 1.764 53.689 52.037 -0.185 0.000 0.620 346 A CB -0.690 18.328 19.000 0.030 0.000 0.819 346 A HN 0.319 nan 8.150 nan 0.000 0.442 347 A N 0.393 123.170 122.820 -0.071 0.000 1.902 347 A HA -0.205 4.635 4.320 0.868 0.000 0.217 347 A C 1.882 179.427 177.584 -0.066 0.000 1.181 347 A CA 1.840 53.852 52.037 -0.041 0.000 0.623 347 A CB -0.628 18.438 19.000 0.109 0.000 0.818 347 A HN 0.543 nan 8.150 nan 0.000 0.443 348 N N 0.362 119.046 118.700 -0.026 0.000 2.309 348 N HA -0.041 5.220 4.740 0.868 0.000 0.182 348 N C 1.801 177.251 175.510 -0.100 0.000 1.018 348 N CA 1.320 54.326 53.050 -0.073 0.000 0.876 348 N CB -0.533 37.962 38.487 0.013 0.000 0.972 348 N HN 0.484 nan 8.380 nan 0.000 0.434 349 A N 0.739 123.501 122.820 -0.097 0.000 1.902 349 A HA -0.075 4.765 4.320 0.868 0.000 0.217 349 A C 2.420 179.939 177.584 -0.110 0.000 1.181 349 A CA 1.249 53.224 52.037 -0.102 0.000 0.623 349 A CB -0.740 18.039 19.000 -0.368 0.000 0.818 349 A HN 0.095 nan 8.150 nan 0.000 0.443 350 V N 0.032 119.821 119.914 -0.209 0.000 2.407 350 V HA -0.252 4.389 4.120 0.868 0.000 0.248 350 V C 2.993 178.978 176.094 -0.183 0.000 1.055 350 V CA 1.731 63.908 62.300 -0.206 0.000 1.049 350 V CB -1.324 30.307 31.823 -0.320 0.000 0.662 350 V HN 0.609 nan 8.190 nan 0.000 0.455 351 A N 0.115 122.836 122.820 -0.165 0.000 2.032 351 A HA -0.189 4.652 4.320 0.868 0.000 0.221 351 A C 2.145 179.646 177.584 -0.139 0.000 1.165 351 A CA 1.698 53.641 52.037 -0.156 0.000 0.645 351 A CB -0.640 18.263 19.000 -0.163 0.000 0.807 351 A HN 0.564 nan 8.150 nan 0.000 0.453 352 L N -0.769 120.391 121.223 -0.106 0.000 2.349 352 L HA -0.182 4.679 4.340 0.868 0.000 0.220 352 L C 2.074 178.977 176.870 0.055 0.000 1.130 352 L CA 0.637 55.458 54.840 -0.032 0.000 0.791 352 L CB -0.591 41.454 42.059 -0.023 0.000 0.918 352 L HN 0.388 nan 8.230 nan 0.000 0.444 353 L N -0.353 120.838 121.223 -0.053 0.000 2.450 353 L HA -0.136 4.724 4.340 0.868 0.000 0.224 353 L C 2.267 179.054 176.870 -0.138 0.000 1.149 353 L CA 0.748 55.517 54.840 -0.119 0.000 0.816 353 L CB -0.412 41.525 42.059 -0.204 0.000 0.932 353 L HN 0.268 nan 8.230 nan 0.000 0.449 354 A N -1.855 120.890 122.820 -0.124 0.000 2.431 354 A HA 0.128 4.969 4.320 0.868 0.000 0.239 354 A C 1.091 178.620 177.584 -0.091 0.000 1.230 354 A CA -0.084 51.858 52.037 -0.159 0.000 0.928 354 A CB 0.186 19.065 19.000 -0.202 0.000 1.006 354 A HN 0.194 nan 8.150 nan 0.000 0.520 355 S N 0.424 116.127 115.700 0.004 0.000 2.576 355 S HA 0.310 5.300 4.470 0.868 0.000 0.276 355 S C 1.166 175.860 174.600 0.157 0.000 1.339 355 S CA 0.627 58.864 58.200 0.063 0.000 1.039 355 S CB 0.618 63.855 63.200 0.062 0.000 0.902 355 S HN 0.630 nan 8.310 nan 0.000 0.516 356 T N 0.771 115.384 114.554 0.099 0.000 3.132 356 T HA 0.282 5.153 4.350 0.868 0.000 0.274 356 T C 0.016 174.810 174.700 0.157 0.000 1.011 356 T CA -0.564 61.598 62.100 0.104 0.000 0.899 356 T CB -0.323 68.550 68.868 0.009 0.000 1.089 356 T HN 0.460 nan 8.240 nan 0.000 0.543 357 N N 1.184 119.985 118.700 0.167 0.000 2.558 357 N HA 0.544 5.805 4.740 0.868 0.000 0.242 357 N C 1.125 176.667 175.510 0.053 0.000 0.979 357 N CA -0.056 53.048 53.050 0.091 0.000 0.931 357 N CB 1.542 40.046 38.487 0.028 0.000 1.122 357 N HN 0.206 nan 8.380 nan 0.000 0.508 358 A N 3.079 125.977 122.820 0.129 0.000 1.940 358 A HA -0.053 4.788 4.320 0.868 0.000 0.219 358 A C 1.902 179.438 177.584 -0.079 0.000 1.176 358 A CA 1.942 54.012 52.037 0.055 0.000 0.631 358 A CB -0.875 18.235 19.000 0.183 0.000 0.814 358 A HN 0.663 nan 8.150 nan 0.000 0.446 359 G N -0.939 107.849 108.800 -0.021 0.000 2.418 359 G HA2 -0.241 4.240 3.960 0.868 0.000 0.217 359 G HA3 -0.241 4.240 3.960 0.868 0.000 0.217 359 G C 1.599 176.489 174.900 -0.016 0.000 1.158 359 G CA 0.941 46.030 45.100 -0.018 0.000 0.771 359 G HN 0.627 nan 8.290 nan 0.000 0.545 360 Q N 0.213 120.013 119.800 0.001 0.000 2.084 360 Q HA -0.045 4.816 4.340 0.868 0.000 0.202 360 Q C 3.036 179.086 176.000 0.084 0.000 0.978 360 Q CA 1.238 57.104 55.803 0.105 0.000 0.844 360 Q CB -0.282 28.510 28.738 0.090 0.000 0.898 360 Q HN 0.486 nan 8.270 nan 0.000 0.426 361 A N 1.606 124.297 122.820 -0.215 0.000 1.902 361 A HA -0.279 4.561 4.320 0.868 0.000 0.217 361 A C 2.100 179.591 177.584 -0.155 0.000 1.181 361 A CA 1.957 53.743 52.037 -0.419 0.000 0.623 361 A CB -1.609 16.614 19.000 -1.294 0.000 0.818 361 A HN 0.576 nan 8.150 nan 0.000 0.443 362 N N -0.587 118.037 118.700 -0.127 0.000 2.061 362 N HA -0.146 5.115 4.740 0.868 0.000 0.193 362 N C 2.014 177.552 175.510 0.046 0.000 1.030 362 N CA 3.349 56.393 53.050 -0.010 0.000 0.856 362 N CB -1.112 37.364 38.487 -0.018 0.000 1.023 362 N HN 0.840 nan 8.380 nan 0.000 0.424 363 E N -0.280 119.928 120.200 0.015 0.000 2.017 363 E HA -0.016 4.855 4.350 0.868 0.000 0.193 363 E C 1.842 178.409 176.600 -0.056 0.000 0.997 363 E CA 1.346 57.710 56.400 -0.060 0.000 0.804 363 E CB -0.958 28.631 29.700 -0.186 0.000 0.757 363 E HN 0.764 nan 8.360 nan 0.000 0.448 364 F N -0.810 119.162 119.950 0.038 0.000 2.234 364 F HA 0.106 5.129 4.527 0.828 0.000 0.299 364 F C 2.173 178.036 175.800 0.104 0.000 1.087 364 F CA 1.213 59.254 58.000 0.068 0.000 1.340 364 F CB -0.280 38.733 39.000 0.022 0.000 1.031 364 F HN 0.293 nan 8.300 nan 0.000 0.500 365 F N 1.257 121.311 119.950 0.173 0.000 2.113 365 F HA -0.194 4.854 4.527 0.868 0.000 0.297 365 F C 2.237 178.183 175.800 0.244 0.000 1.103 365 F CA 1.552 59.659 58.000 0.179 0.000 1.248 365 F CB -0.519 38.508 39.000 0.046 0.000 0.999 365 F HN -0.156 nan 8.300 nan 0.000 0.475 366 N N 0.658 119.501 118.700 0.237 0.000 2.223 366 N HA -0.161 5.100 4.740 0.868 0.000 0.185 366 N C 1.694 177.254 175.510 0.082 0.000 1.016 366 N CA 1.425 54.577 53.050 0.170 0.000 0.863 366 N CB -0.455 38.121 38.487 0.149 0.000 0.983 366 N HN 0.509 nan 8.380 nan 0.000 0.429 367 E N -0.260 119.972 120.200 0.053 0.000 2.110 367 E HA -0.159 4.711 4.350 0.868 0.000 0.193 367 E C 1.499 178.135 176.600 0.060 0.000 0.988 367 E CA 0.694 57.111 56.400 0.028 0.000 0.804 367 E CB -0.146 29.551 29.700 -0.005 0.000 0.745 367 E HN 0.320 nan 8.360 nan 0.000 0.458 368 F N 0.196 120.110 119.950 -0.060 0.000 2.187 368 F HA -0.111 4.931 4.527 0.859 0.000 0.295 368 F C 1.927 177.695 175.800 -0.054 0.000 1.091 368 F CA 1.065 59.024 58.000 -0.068 0.000 1.308 368 F CB -0.265 38.642 39.000 -0.155 0.000 1.030 368 F HN 0.091 nan 8.300 nan 0.000 0.487 369 W N 1.345 122.314 121.300 -0.552 0.000 2.465 369 W HA -0.120 5.056 4.660 0.861 0.000 0.268 369 W C 2.311 178.666 176.519 -0.274 0.000 1.242 369 W CA 1.520 58.553 57.345 -0.519 0.000 1.248 369 W CB -0.228 29.054 29.460 -0.296 0.000 1.118 369 W HN 0.305 nan 8.180 nan 0.000 0.587 370 S N 0.243 115.888 115.700 -0.091 0.000 2.522 370 S HA -0.001 4.990 4.470 0.868 0.000 0.227 370 S C 0.836 175.340 174.600 -0.161 0.000 0.986 370 S CA 0.108 58.252 58.200 -0.094 0.000 0.929 370 S CB -0.621 62.568 63.200 -0.018 0.000 0.769 370 S HN 0.059 nan 8.310 nan 0.000 0.529 371 L N 2.987 124.082 121.223 -0.214 0.000 2.452 371 L HA 0.312 5.172 4.340 0.868 0.000 0.267 371 L C 0.743 177.476 176.870 -0.228 0.000 1.188 371 L CA -0.613 54.116 54.840 -0.184 0.000 0.821 371 L CB 0.720 42.689 42.059 -0.149 0.000 1.102 371 L HN 0.279 nan 8.230 nan 0.000 0.470 372 S N 0.933 116.509 115.700 -0.207 0.000 2.632 372 S HA 0.213 5.204 4.470 0.868 0.000 0.271 372 S C -0.366 173.990 174.600 -0.406 0.000 1.260 372 S CA -0.900 57.156 58.200 -0.241 0.000 1.010 372 S CB 1.282 64.383 63.200 -0.166 0.000 0.965 372 S HN 0.626 nan 8.310 nan 0.000 0.534 373 Q N 1.061 120.586 119.800 -0.458 0.000 2.349 373 Q HA 0.155 5.016 4.340 0.868 0.000 0.287 373 Q C -2.395 173.331 176.000 -0.456 0.000 1.044 373 Q CA -1.333 54.037 55.803 -0.720 0.000 0.918 373 Q CB -0.032 28.488 28.738 -0.364 0.000 1.242 373 Q HN 0.371 nan 8.270 nan 0.000 0.405 374 P HA -0.013 nan 4.420 nan 0.000 0.266 374 P C -1.117 176.133 177.300 -0.085 0.000 1.195 374 P CA 0.261 63.253 63.100 -0.180 0.000 0.768 374 P CB 0.862 32.510 31.700 -0.087 0.000 0.838 375 T N -0.849 113.685 114.554 -0.033 0.000 2.804 375 T HA 0.768 5.639 4.350 0.868 0.000 0.290 375 T C 0.225 174.942 174.700 0.028 0.000 1.099 375 T CA -0.163 61.935 62.100 -0.003 0.000 1.011 375 T CB 1.372 70.231 68.868 -0.015 0.000 1.291 375 T HN 0.703 nan 8.240 nan 0.000 0.523 376 G N 0.676 109.489 108.800 0.020 0.000 2.693 376 G HA2 -0.175 4.306 3.960 0.868 0.000 0.226 376 G HA3 -0.175 4.306 3.960 0.868 0.000 0.226 376 G C 0.011 174.890 174.900 -0.034 0.000 1.354 376 G CA 0.319 45.423 45.100 0.006 0.000 0.873 376 G HN 0.800 nan 8.290 nan 0.000 0.562 377 D N -0.660 119.651 120.400 -0.149 0.000 2.312 377 D HA 0.038 5.199 4.640 0.868 0.000 0.211 377 D C 1.465 177.474 176.300 -0.485 0.000 0.964 377 D CA 1.299 55.087 54.000 -0.353 0.000 0.877 377 D CB -0.009 40.467 40.800 -0.540 0.000 0.924 377 D HN 0.403 nan 8.370 nan 0.000 0.515 378 Y N 0.228 120.585 120.300 0.095 0.000 2.607 378 Y HA 0.168 5.243 4.550 0.875 0.000 0.266 378 Y C 1.781 177.786 175.900 0.175 0.000 1.178 378 Y CA -0.381 57.801 58.100 0.136 0.000 1.226 378 Y CB -0.018 38.521 38.460 0.132 0.000 1.144 378 Y HN -0.045 nan 8.280 nan 0.000 0.528 379 R N -1.256 119.366 120.500 0.204 0.000 2.276 379 R HA -0.156 4.704 4.340 0.868 0.000 0.203 379 R C 1.564 178.005 176.300 0.235 0.000 1.017 379 R CA 0.905 57.118 56.100 0.189 0.000 1.010 379 R CB -0.857 29.510 30.300 0.112 0.000 0.900 379 R HN 0.399 nan 8.270 nan 0.000 0.469 380 Y N 0.766 121.180 120.300 0.190 0.000 2.114 380 Y HA -0.285 4.786 4.550 0.869 0.000 0.284 380 Y C 1.807 177.914 175.900 0.345 0.000 1.143 380 Y CA 1.634 59.872 58.100 0.230 0.000 1.135 380 Y CB -0.476 38.104 38.460 0.201 0.000 0.980 380 Y HN 0.077 nan 8.280 nan 0.000 0.499 381 Y N 0.808 121.132 120.300 0.040 0.000 2.269 381 Y HA -0.014 5.053 4.550 0.862 0.000 0.294 381 Y C 2.096 178.090 175.900 0.156 0.000 1.120 381 Y CA 1.741 59.843 58.100 0.004 0.000 1.159 381 Y CB -0.693 37.901 38.460 0.223 0.000 1.024 381 Y HN 0.265 nan 8.280 nan 0.000 0.532 382 N N -0.709 118.156 118.700 0.275 0.000 2.120 382 N HA -0.136 5.125 4.740 0.868 0.000 0.188 382 N C 2.003 177.592 175.510 0.132 0.000 1.024 382 N CA 1.179 54.360 53.050 0.218 0.000 0.852 382 N CB -0.522 38.111 38.487 0.243 0.000 1.003 382 N HN 0.422 nan 8.380 nan 0.000 0.424 383 G N -0.193 108.669 108.800 0.105 0.000 2.403 383 G HA2 -0.156 4.324 3.960 0.868 0.000 0.216 383 G HA3 -0.156 4.324 3.960 0.868 0.000 0.216 383 G C 1.586 176.540 174.900 0.089 0.000 1.154 383 G CA 0.491 45.649 45.100 0.096 0.000 0.784 383 G HN 0.175 nan 8.290 nan 0.000 0.538 384 S N 0.507 116.199 115.700 -0.014 0.000 2.356 384 S HA -0.022 4.968 4.470 0.868 0.000 0.223 384 S C 2.297 176.757 174.600 -0.234 0.000 1.032 384 S CA 0.822 58.977 58.200 -0.077 0.000 1.005 384 S CB -0.276 62.893 63.200 -0.052 0.000 0.867 384 S HN 0.300 nan 8.310 nan 0.000 0.449 385 L N -0.252 120.787 121.223 -0.306 0.000 2.083 385 L HA -0.132 4.729 4.340 0.868 0.000 0.209 385 L C 2.320 179.162 176.870 -0.046 0.000 1.083 385 L CA 1.448 56.104 54.840 -0.307 0.000 0.752 385 L CB -0.554 41.348 42.059 -0.262 0.000 0.899 385 L HN 0.341 nan 8.230 nan 0.000 0.433 386 Y N 0.268 120.563 120.300 -0.008 0.000 2.165 386 Y HA -0.366 4.702 4.550 0.862 0.000 0.286 386 Y C 2.665 178.659 175.900 0.157 0.000 1.155 386 Y CA 2.031 60.218 58.100 0.145 0.000 1.164 386 Y CB -0.058 38.477 38.460 0.124 0.000 0.978 386 Y HN 0.114 nan 8.280 nan 0.000 0.513 387 M N 0.025 119.756 119.600 0.219 0.000 2.067 387 M HA -0.194 4.806 4.480 0.868 0.000 0.260 387 M C 1.937 178.304 176.300 0.112 0.000 1.069 387 M CA 1.865 57.275 55.300 0.183 0.000 1.117 387 M CB -0.734 32.000 32.600 0.224 0.000 1.334 387 M HN 0.352 nan 8.290 nan 0.000 0.407 388 L N -0.329 120.913 121.223 0.031 0.000 2.042 388 L HA -0.200 4.660 4.340 0.868 0.000 0.210 388 L C 2.579 179.513 176.870 0.106 0.000 1.076 388 L CA 1.342 56.211 54.840 0.050 0.000 0.749 388 L CB -1.215 40.771 42.059 -0.122 0.000 0.893 388 L HN 0.475 nan 8.230 nan 0.000 0.432 389 A N -0.616 122.216 122.820 0.020 0.000 1.902 389 A HA -0.221 4.619 4.320 0.868 0.000 0.217 389 A C 2.318 179.936 177.584 0.057 0.000 1.181 389 A CA 1.515 53.527 52.037 -0.043 0.000 0.623 389 A CB -0.396 18.383 19.000 -0.368 0.000 0.818 389 A HN 0.272 nan 8.150 nan 0.000 0.443 390 M N -0.350 119.302 119.600 0.087 0.000 2.108 390 M HA -0.130 4.871 4.480 0.868 0.000 0.261 390 M C 2.131 178.556 176.300 0.207 0.000 1.066 390 M CA 1.381 56.788 55.300 0.178 0.000 1.107 390 M CB -1.390 31.246 32.600 0.060 0.000 1.356 390 M HN 0.433 nan 8.290 nan 0.000 0.406 391 L N -1.630 119.692 121.223 0.166 0.000 2.027 391 L HA -0.236 4.625 4.340 0.868 0.000 0.206 391 L C 2.601 179.578 176.870 0.178 0.000 1.074 391 L CA 1.074 56.010 54.840 0.161 0.000 0.745 391 L CB -1.068 41.092 42.059 0.170 0.000 0.898 391 L HN 0.348 nan 8.230 nan 0.000 0.433 392 H N -0.326 118.863 119.070 0.199 0.000 2.421 392 H HA -0.080 4.997 4.556 0.869 0.000 0.298 392 H C 2.123 177.520 175.328 0.115 0.000 1.087 392 H CA 1.978 58.107 56.048 0.135 0.000 1.330 392 H CB 0.057 29.792 29.762 -0.045 0.000 1.388 392 H HN 0.354 nan 8.280 nan 0.000 0.526 393 V N -0.296 119.775 119.914 0.261 0.000 3.649 393 V HA 0.094 4.734 4.120 0.868 0.000 0.275 393 V C 1.491 177.712 176.094 0.212 0.000 1.281 393 V CA 1.002 63.444 62.300 0.237 0.000 1.143 393 V CB -0.036 32.031 31.823 0.406 0.000 0.892 393 V HN 0.311 nan 8.190 nan 0.000 0.441 394 S N -0.879 114.951 115.700 0.218 0.000 2.629 394 S HA 0.494 5.484 4.470 0.868 0.000 0.236 394 S C 1.538 176.222 174.600 0.141 0.000 1.010 394 S CA 0.516 58.824 58.200 0.180 0.000 0.981 394 S CB 0.352 63.685 63.200 0.223 0.000 0.919 394 S HN 1.751 nan 8.310 nan 0.000 0.514 395 G N 1.753 110.656 108.800 0.171 0.000 2.153 395 G HA2 -0.316 4.165 3.960 0.868 0.000 0.252 395 G HA3 -0.316 4.165 3.960 0.868 0.000 0.252 395 G C 0.358 175.302 174.900 0.072 0.000 0.994 395 G CA 0.457 45.669 45.100 0.187 0.000 0.698 395 G HN 0.620 nan 8.290 nan 0.000 0.521 396 N N -1.136 117.616 118.700 0.087 0.000 2.299 396 N HA 0.274 5.535 4.740 0.868 0.000 0.187 396 N C 0.241 175.748 175.510 -0.005 0.000 1.099 396 N CA -0.263 52.794 53.050 0.012 0.000 0.867 396 N CB 0.256 38.766 38.487 0.039 0.000 0.974 396 N HN 0.353 nan 8.380 nan 0.000 0.477 397 F N 2.493 122.398 119.950 -0.074 0.000 2.368 397 F HA 0.336 5.386 4.527 0.871 0.000 0.362 397 F C -0.163 175.586 175.800 -0.085 0.000 1.137 397 F CA -0.440 57.516 58.000 -0.072 0.000 1.161 397 F CB 0.034 38.879 39.000 -0.258 0.000 1.265 397 F HN -0.287 nan 8.300 nan 0.000 0.530 398 K N 4.674 124.955 120.400 -0.198 0.000 2.395 398 K HA 0.479 5.320 4.320 0.868 0.000 0.247 398 K C -1.465 175.078 176.600 -0.094 0.000 0.973 398 K CA -0.983 55.070 56.287 -0.391 0.000 0.828 398 K CB 2.032 33.954 32.500 -0.965 0.000 1.272 398 K HN 0.146 nan 8.250 nan 0.000 0.439 399 F N 1.789 121.551 119.950 -0.314 0.000 2.405 399 F HA 0.292 5.339 4.527 0.867 0.000 0.355 399 F C -0.334 175.262 175.800 -0.340 0.000 1.121 399 F CA -1.120 56.629 58.000 -0.417 0.000 1.112 399 F CB 0.291 38.986 39.000 -0.509 0.000 1.126 399 F HN 0.333 nan 8.300 nan 0.000 0.481 400 Y N 2.682 122.972 120.300 -0.017 0.000 2.434 400 Y HA 0.276 5.346 4.550 0.867 0.000 0.341 400 Y C 0.619 176.626 175.900 0.178 0.000 0.965 400 Y CA -0.724 57.387 58.100 0.019 0.000 1.205 400 Y CB 0.342 38.682 38.460 -0.199 0.000 1.121 400 Y HN 0.410 nan 8.280 nan 0.000 0.507 401 N N 2.368 121.269 118.700 0.335 0.000 2.525 401 N HA 0.086 5.347 4.740 0.868 0.000 0.271 401 N C -0.397 175.143 175.510 0.051 0.000 1.194 401 N CA -0.272 52.929 53.050 0.252 0.000 0.964 401 N CB 0.534 39.177 38.487 0.259 0.000 1.126 401 N HN 0.650 nan 8.380 nan 0.000 0.452 402 N N -0.944 117.713 118.700 -0.071 0.000 2.467 402 N HA 0.233 5.494 4.740 0.868 0.000 0.262 402 N C -0.261 174.923 175.510 -0.545 0.000 1.234 402 N CA -0.070 52.762 53.050 -0.363 0.000 0.952 402 N CB 0.663 38.828 38.487 -0.537 0.000 1.158 402 N HN 0.461 nan 8.380 nan 0.000 0.463 403 T N -1.335 112.844 114.554 -0.626 0.000 2.823 403 T HA 0.642 5.512 4.350 0.868 0.000 0.279 403 T C -0.654 173.618 174.700 -0.713 0.000 0.998 403 T CA -0.651 61.153 62.100 -0.494 0.000 0.994 403 T CB 0.355 69.084 68.868 -0.233 0.000 0.960 403 T HN 0.194 nan 8.240 nan 0.000 0.448 404 F N 0.000 119.916 119.950 -0.057 0.000 2.286 404 F HA 0.000 5.047 4.527 0.867 0.000 0.279 404 F CA 0.000 57.962 58.000 -0.063 0.000 1.383 404 F CB 0.000 38.971 39.000 -0.048 0.000 1.145 404 F HN 0.000 nan 8.300 nan 0.000 0.574