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 3hdy_1_A DATA FIRST_RESID 25 DATA SEQUENCE QESKGFDYLI VGAGFAGSVL AERLASSGQR VLIVDRRPHI GGNAYDCYDD DATA SEQUENCE AGVLIHPYGP HIFHTNSKDV FEYLSRFTEW RPYQHRVLAS VDGQLLPIPI DATA SEQUENCE NLDTVNRLYG LNLTSFQVEE FFASVAEKVE QVRTSEDVVV SKVGRDLYNK DATA SEQUENCE FFRGYTRKQW GLDPSELDAS VTARVPTRTN RDNRYFADTY QAMPLHGYTR DATA SEQUENCE MFQNMLSSPN IKVMLNTDYR EIADFIPFQH MIYTGPVDAF FDFCYGKLPY DATA SEQUENCE RSLEFRHETH DTEQLLPTGT VNYPNDYAYT RVSEFKHITG QRHHQTSVVY DATA SEQUENCE EYPRAEGDPY YPVPRPENAE LYKKYEALAD AAQDVTFVGR LATYRYYNMD DATA SEQUENCE QVVAQALATF RRLQG 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 25 Q HA 0.000 nan 4.340 nan 0.000 0.214 25 Q C 0.000 175.993 176.000 -0.011 0.000 1.003 25 Q CA 0.000 55.796 55.803 -0.011 0.000 1.022 25 Q CB 0.000 28.730 28.738 -0.013 0.000 1.108 26 E N 0.571 120.762 120.200 -0.014 0.000 2.869 26 E HA 0.227 4.577 4.350 -0.000 0.000 0.258 26 E C -0.265 176.327 176.600 -0.014 0.000 1.354 26 E CA -0.230 56.164 56.400 -0.011 0.000 1.065 26 E CB 0.806 30.501 29.700 -0.009 0.000 1.215 26 E HN 0.572 nan 8.360 nan 0.000 0.659 27 S N -0.229 115.466 115.700 -0.008 0.000 2.576 27 S HA -0.046 4.424 4.470 -0.000 0.000 0.272 27 S C 0.994 175.582 174.600 -0.020 0.000 1.352 27 S CA 0.120 58.314 58.200 -0.010 0.000 1.021 27 S CB 0.596 63.797 63.200 0.001 0.000 0.887 27 S HN 0.472 nan 8.310 nan 0.000 0.542 28 K N 2.440 122.826 120.400 -0.023 0.000 2.128 28 K HA 0.190 4.510 4.320 -0.000 0.000 0.202 28 K C 1.275 177.870 176.600 -0.009 0.000 1.050 28 K CA 0.910 57.183 56.287 -0.023 0.000 0.966 28 K CB -0.852 31.635 32.500 -0.023 0.000 0.759 28 K HN 0.973 nan 8.250 nan 0.000 0.454 29 G N 0.650 109.428 108.800 -0.036 0.000 2.564 29 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.273 29 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.273 29 G C -0.229 174.621 174.900 -0.083 0.000 1.242 29 G CA 0.084 45.140 45.100 -0.073 0.000 0.951 29 G HN 0.242 nan 8.290 nan 0.000 0.564 30 F N 1.779 121.796 119.950 0.113 0.000 2.572 30 F HA 0.229 4.756 4.527 -0.000 0.000 0.370 30 F C 1.819 177.685 175.800 0.109 0.000 1.103 30 F CA 0.548 58.620 58.000 0.120 0.000 1.286 30 F CB 0.595 39.678 39.000 0.137 0.000 1.105 30 F HN 0.385 nan 8.300 nan 0.000 0.583 31 D N 1.418 121.970 120.400 0.252 0.000 2.144 31 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 31 D C -0.345 175.897 176.300 -0.097 0.000 0.984 31 D CA 1.807 55.850 54.000 0.072 0.000 0.834 31 D CB -0.020 40.859 40.800 0.131 0.000 0.955 31 D HN 0.371 nan 8.370 nan 0.000 0.465 32 Y N -0.630 119.824 120.300 0.258 0.000 2.396 32 Y HA 0.344 4.894 4.550 -0.000 0.000 0.332 32 Y C -0.659 175.277 175.900 0.059 0.000 1.034 32 Y CA -1.032 57.181 58.100 0.189 0.000 1.057 32 Y CB 1.865 40.406 38.460 0.136 0.000 1.220 32 Y HN -0.271 nan 8.280 nan 0.000 0.440 33 L N 5.584 126.835 121.223 0.047 0.000 2.262 33 L HA 0.624 4.964 4.340 -0.000 0.000 0.288 33 L C -1.203 175.530 176.870 -0.228 0.000 1.035 33 L CA -0.122 54.544 54.840 -0.289 0.000 0.820 33 L CB 0.080 41.617 42.059 -0.871 0.000 1.204 33 L HN 0.518 nan 8.230 nan 0.000 0.424 34 I N 5.903 126.362 120.570 -0.185 0.000 2.339 34 I HA 0.330 4.500 4.170 -0.000 0.000 0.290 34 I C -0.633 175.353 176.117 -0.218 0.000 0.994 34 I CA -0.927 60.275 61.300 -0.164 0.000 1.191 34 I CB 1.745 39.678 38.000 -0.111 0.000 1.343 34 I HN 0.235 nan 8.210 nan 0.000 0.458 35 V N 5.379 125.137 119.914 -0.259 0.000 2.333 35 V HA 0.791 4.911 4.120 -0.000 0.000 0.274 35 V C 0.469 176.378 176.094 -0.308 0.000 1.028 35 V CA -0.434 61.698 62.300 -0.281 0.000 0.851 35 V CB 0.483 32.089 31.823 -0.361 0.000 1.000 35 V HN 1.076 nan 8.190 nan 0.000 0.456 36 G N 3.905 112.558 108.800 -0.245 0.000 3.055 36 G HA2 0.340 4.299 3.960 -0.000 0.000 0.685 36 G HA3 0.340 4.299 3.960 -0.000 0.000 0.685 36 G C -0.158 174.617 174.900 -0.210 0.000 1.212 36 G CA -0.238 44.715 45.100 -0.244 0.000 0.822 36 G HN 1.348 nan 8.290 nan 0.000 0.610 37 A N 1.318 123.997 122.820 -0.235 0.000 2.545 37 A HA 0.759 5.079 4.320 -0.000 0.000 0.277 37 A C 1.482 178.880 177.584 -0.310 0.000 1.301 37 A CA 1.248 53.141 52.037 -0.239 0.000 0.935 37 A CB -0.162 18.679 19.000 -0.265 0.000 1.093 37 A HN 2.101 nan 8.150 nan 0.000 0.519 38 G N -1.423 107.232 108.800 -0.243 0.000 2.516 38 G HA2 0.374 4.334 3.960 -0.000 0.000 0.276 38 G HA3 0.374 4.334 3.960 -0.000 0.000 0.276 38 G C 0.557 175.467 174.900 0.016 0.000 1.390 38 G CA -0.452 44.515 45.100 -0.222 0.000 1.050 38 G HN 0.169 nan 8.290 nan 0.000 0.519 39 F N 0.551 120.629 119.950 0.213 0.000 2.161 39 F HA -0.101 4.426 4.527 -0.000 0.000 0.300 39 F C 3.015 178.877 175.800 0.104 0.000 1.089 39 F CA 1.632 59.778 58.000 0.243 0.000 1.282 39 F CB -0.081 39.036 39.000 0.196 0.000 1.010 39 F HN 0.348 nan 8.300 nan 0.000 0.485 40 A N 0.146 123.101 122.820 0.226 0.000 1.877 40 A HA -0.064 4.255 4.320 -0.000 0.000 0.216 40 A C 2.515 180.119 177.584 0.032 0.000 1.186 40 A CA 1.841 53.943 52.037 0.109 0.000 0.620 40 A CB -1.548 17.490 19.000 0.063 0.000 0.822 40 A HN 0.396 nan 8.150 nan 0.000 0.443 41 G N -0.922 107.870 108.800 -0.014 0.000 2.424 41 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.214 41 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.214 41 G C 1.842 176.718 174.900 -0.041 0.000 1.202 41 G CA 1.217 46.279 45.100 -0.063 0.000 0.793 41 G HN 0.471 nan 8.290 nan 0.000 0.534 42 S N 0.094 115.795 115.700 0.001 0.000 2.370 42 S HA -0.131 4.339 4.470 -0.000 0.000 0.226 42 S C 2.495 177.069 174.600 -0.042 0.000 1.033 42 S CA 1.259 59.458 58.200 -0.001 0.000 1.011 42 S CB -0.335 62.945 63.200 0.133 0.000 0.852 42 S HN 0.155 nan 8.310 nan 0.000 0.457 43 V N 1.639 121.563 119.914 0.017 0.000 2.343 43 V HA -0.125 3.995 4.120 -0.000 0.000 0.247 43 V C 2.132 178.171 176.094 -0.091 0.000 1.051 43 V CA 1.457 63.766 62.300 0.016 0.000 1.036 43 V CB -0.571 31.288 31.823 0.061 0.000 0.654 43 V HN 0.387 nan 8.190 nan 0.000 0.451 44 L N -0.351 120.820 121.223 -0.088 0.000 2.156 44 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 44 L C 2.598 179.372 176.870 -0.160 0.000 1.095 44 L CA 1.228 55.990 54.840 -0.131 0.000 0.770 44 L CB -0.579 41.432 42.059 -0.080 0.000 0.914 44 L HN 0.339 nan 8.230 nan 0.000 0.439 45 A N -0.482 122.267 122.820 -0.118 0.000 1.858 45 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 45 A C 2.301 179.824 177.584 -0.103 0.000 1.190 45 A CA 1.666 53.645 52.037 -0.098 0.000 0.617 45 A CB -0.541 18.412 19.000 -0.078 0.000 0.827 45 A HN 0.360 nan 8.150 nan 0.000 0.443 46 E N -0.034 120.095 120.200 -0.119 0.000 2.058 46 E HA -0.231 4.118 4.350 -0.000 0.000 0.194 46 E C 2.229 178.753 176.600 -0.127 0.000 0.997 46 E CA 1.175 57.515 56.400 -0.100 0.000 0.801 46 E CB -0.249 29.373 29.700 -0.130 0.000 0.746 46 E HN 0.365 nan 8.360 nan 0.000 0.450 47 R N 0.066 120.392 120.500 -0.289 0.000 2.081 47 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 47 R C 2.447 178.434 176.300 -0.521 0.000 1.131 47 R CA 0.569 56.245 56.100 -0.706 0.000 0.960 47 R CB -0.937 28.477 30.300 -1.477 0.000 0.856 47 R HN 0.221 nan 8.270 nan 0.000 0.436 48 L N 0.523 121.601 121.223 -0.242 0.000 2.027 48 L HA -0.043 4.297 4.340 -0.000 0.000 0.206 48 L C 2.451 179.365 176.870 0.073 0.000 1.074 48 L CA 1.918 56.776 54.840 0.029 0.000 0.745 48 L CB -1.347 40.650 42.059 -0.104 0.000 0.898 48 L HN 0.133 nan 8.230 nan 0.000 0.433 49 A N -0.808 122.028 122.820 0.026 0.000 1.902 49 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 49 A C 2.498 180.118 177.584 0.060 0.000 1.181 49 A CA 2.113 54.184 52.037 0.058 0.000 0.623 49 A CB -0.963 18.059 19.000 0.037 0.000 0.818 49 A HN 0.556 nan 8.150 nan 0.000 0.443 50 S N 0.297 116.018 115.700 0.034 0.000 2.442 50 S HA -0.146 4.324 4.470 -0.000 0.000 0.236 50 S C 1.884 176.535 174.600 0.085 0.000 1.007 50 S CA 1.788 60.018 58.200 0.050 0.000 0.965 50 S CB -0.704 62.516 63.200 0.033 0.000 0.773 50 S HN 0.983 nan 8.310 nan 0.000 0.504 51 S N -0.139 115.636 115.700 0.125 0.000 2.548 51 S HA 0.479 4.949 4.470 -0.000 0.000 0.215 51 S C 1.481 176.163 174.600 0.136 0.000 0.976 51 S CA 0.529 58.833 58.200 0.172 0.000 0.908 51 S CB -0.209 63.169 63.200 0.298 0.000 0.781 51 S HN 1.546 nan 8.310 nan 0.000 0.519 52 G N 0.425 109.297 108.800 0.120 0.000 2.175 52 G HA2 -0.131 3.828 3.960 -0.000 0.000 0.182 52 G HA3 -0.131 3.828 3.960 -0.000 0.000 0.182 52 G C -0.279 174.696 174.900 0.124 0.000 1.003 52 G CA -0.370 44.793 45.100 0.105 0.000 0.666 52 G HN 0.469 nan 8.290 nan 0.000 0.506 53 Q N 0.495 120.393 119.800 0.164 0.000 2.299 53 Q HA 0.431 4.770 4.340 -0.000 0.000 0.246 53 Q C 0.478 176.600 176.000 0.204 0.000 0.935 53 Q CA -0.191 55.742 55.803 0.217 0.000 0.887 53 Q CB 0.939 29.882 28.738 0.341 0.000 1.223 53 Q HN 0.436 nan 8.270 nan 0.000 0.439 54 R N 0.993 121.623 120.500 0.217 0.000 2.234 54 R HA 0.401 4.740 4.340 -0.000 0.000 0.324 54 R C -0.613 175.914 176.300 0.379 0.000 1.054 54 R CA -0.331 55.916 56.100 0.244 0.000 0.912 54 R CB 0.664 31.060 30.300 0.161 0.000 1.030 54 R HN 0.265 nan 8.270 nan 0.000 0.455 55 V N 5.045 125.155 119.914 0.326 0.000 2.495 55 V HA 0.298 4.418 4.120 -0.000 0.000 0.298 55 V C -0.630 175.508 176.094 0.073 0.000 1.031 55 V CA -0.931 61.508 62.300 0.231 0.000 0.871 55 V CB 1.895 33.787 31.823 0.116 0.000 0.988 55 V HN 0.486 nan 8.190 nan 0.000 0.432 56 L N 6.392 127.465 121.223 -0.251 0.000 2.295 56 L HA 0.616 4.956 4.340 -0.000 0.000 0.281 56 L C -0.615 176.055 176.870 -0.332 0.000 1.018 56 L CA 0.116 54.611 54.840 -0.575 0.000 0.841 56 L CB 0.952 42.149 42.059 -1.436 0.000 1.218 56 L HN 0.665 nan 8.230 nan 0.000 0.424 57 I N 5.353 125.793 120.570 -0.217 0.000 2.331 57 I HA 0.527 4.696 4.170 -0.000 0.000 0.292 57 I C -1.059 174.947 176.117 -0.184 0.000 0.998 57 I CA -0.455 60.738 61.300 -0.179 0.000 1.267 57 I CB 1.492 39.414 38.000 -0.131 0.000 1.386 57 I HN 0.504 nan 8.210 nan 0.000 0.476 58 V N 7.494 127.296 119.914 -0.186 0.000 2.914 58 V HA 0.640 4.760 4.120 -0.000 0.000 0.314 58 V C -1.363 174.637 176.094 -0.156 0.000 1.084 58 V CA -0.250 61.953 62.300 -0.162 0.000 0.963 58 V CB 2.128 33.861 31.823 -0.150 0.000 1.025 58 V HN 0.822 nan 8.190 nan 0.000 0.432 59 D N 3.268 123.578 120.400 -0.151 0.000 2.927 59 D HA 0.308 4.948 4.640 -0.000 0.000 0.219 59 D C 0.645 176.851 176.300 -0.156 0.000 1.248 59 D CA -0.462 53.434 54.000 -0.174 0.000 0.861 59 D CB 2.231 42.884 40.800 -0.245 0.000 1.677 59 D HN 0.696 nan 8.370 nan 0.000 0.511 60 R N 2.177 122.598 120.500 -0.132 0.000 2.148 60 R HA 0.078 4.418 4.340 -0.000 0.000 0.227 60 R C 0.591 176.807 176.300 -0.140 0.000 1.103 60 R CA 0.246 56.285 56.100 -0.102 0.000 0.983 60 R CB 0.088 30.352 30.300 -0.061 0.000 0.874 60 R HN 0.138 nan 8.270 nan 0.000 0.451 61 R N 1.344 121.705 120.500 -0.231 0.000 2.637 61 R HA 0.123 4.463 4.340 -0.000 0.000 0.269 61 R C -1.919 174.176 176.300 -0.342 0.000 1.089 61 R CA -1.719 54.185 56.100 -0.325 0.000 1.177 61 R CB 0.280 30.217 30.300 -0.604 0.000 1.091 61 R HN 0.031 nan 8.270 nan 0.000 0.540 62 P HA 0.090 nan 4.420 nan 0.000 0.256 62 P C -1.384 175.807 177.300 -0.182 0.000 1.384 62 P CA 0.231 63.228 63.100 -0.172 0.000 0.879 62 P CB 0.048 31.711 31.700 -0.060 0.000 1.403 63 H N -1.716 117.175 119.070 -0.298 0.000 3.017 63 H HA 0.538 5.094 4.556 -0.000 0.000 0.346 63 H C -0.234 174.855 175.328 -0.398 0.000 1.286 63 H CA -1.451 54.345 56.048 -0.421 0.000 1.120 63 H CB 0.290 29.499 29.762 -0.922 0.000 1.860 63 H HN -0.174 nan 8.280 nan 0.000 0.542 64 I N -1.433 119.042 120.570 -0.159 0.000 3.110 64 I HA 0.678 4.848 4.170 -0.000 0.000 0.314 64 I C 1.055 176.960 176.117 -0.353 0.000 1.020 64 I CA -0.274 60.875 61.300 -0.251 0.000 1.169 64 I CB 1.021 38.908 38.000 -0.189 0.000 1.437 64 I HN 1.140 nan 8.210 nan 0.000 0.595 65 G N 1.091 109.386 108.800 -0.841 0.000 2.175 65 G HA2 -0.032 3.927 3.960 -0.000 0.000 0.244 65 G HA3 -0.032 3.927 3.960 -0.000 0.000 0.244 65 G C 0.882 175.306 174.900 -0.793 0.000 0.982 65 G CA 0.231 44.424 45.100 -1.512 0.000 0.641 65 G HN 2.054 nan 8.290 nan 0.000 0.527 66 G N 0.861 109.378 108.800 -0.471 0.000 2.651 66 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.315 66 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.315 66 G C 1.000 175.662 174.900 -0.396 0.000 1.258 66 G CA 1.144 46.028 45.100 -0.360 0.000 1.002 66 G HN 1.119 nan 8.290 nan 0.000 0.551 67 N N 1.269 119.763 118.700 -0.345 0.000 2.309 67 N HA 0.150 4.890 4.740 -0.000 0.000 0.182 67 N C 2.134 177.312 175.510 -0.553 0.000 1.018 67 N CA 1.669 54.502 53.050 -0.362 0.000 0.876 67 N CB -0.462 38.034 38.487 0.015 0.000 0.972 67 N HN 0.920 nan 8.380 nan 0.000 0.434 68 A N -0.315 122.160 122.820 -0.576 0.000 2.251 68 A HA -0.000 4.320 4.320 -0.000 0.000 0.209 68 A C 0.314 177.569 177.584 -0.548 0.000 1.187 68 A CA -0.408 51.120 52.037 -0.849 0.000 0.823 68 A CB -0.673 18.009 19.000 -0.530 0.000 0.846 68 A HN 0.304 nan 8.150 nan 0.000 0.486 69 Y N 2.496 122.527 120.300 -0.449 0.000 2.597 69 Y HA 0.309 4.859 4.550 -0.000 0.000 0.336 69 Y C -0.248 175.510 175.900 -0.236 0.000 1.216 69 Y CA -0.307 57.601 58.100 -0.319 0.000 1.463 69 Y CB 0.383 38.632 38.460 -0.351 0.000 1.303 69 Y HN 0.496 nan 8.280 nan 0.000 0.576 70 D N 4.354 124.257 120.400 -0.828 0.000 2.645 70 D HA 0.541 5.181 4.640 -0.000 0.000 0.228 70 D C -1.214 174.524 176.300 -0.937 0.000 1.148 70 D CA -0.634 52.944 54.000 -0.702 0.000 0.860 70 D CB 0.945 41.628 40.800 -0.194 0.000 1.548 70 D HN 0.754 nan 8.370 nan 0.000 0.460 71 C N -1.190 117.675 119.300 -0.726 0.000 3.311 71 C HA 0.721 5.180 4.460 -0.000 0.000 0.325 71 C C -1.129 173.592 174.990 -0.448 0.000 1.352 71 C CA -1.123 57.584 59.018 -0.517 0.000 1.308 71 C CB -0.049 27.438 27.740 -0.423 0.000 1.619 71 C HN 0.616 nan 8.230 nan 0.000 0.469 72 Y N 2.032 122.205 120.300 -0.213 0.000 2.309 72 Y HA 0.446 4.996 4.550 -0.000 0.000 0.327 72 Y C 1.100 176.899 175.900 -0.168 0.000 1.172 72 Y CA 0.704 58.702 58.100 -0.170 0.000 1.280 72 Y CB 0.784 39.184 38.460 -0.101 0.000 1.234 72 Y HN 0.860 nan 8.280 nan 0.000 0.512 73 D N -0.439 119.940 120.400 -0.035 0.000 2.507 73 D HA 0.053 4.693 4.640 -0.000 0.000 0.280 73 D C 0.184 176.477 176.300 -0.011 0.000 1.219 73 D CA -0.380 53.576 54.000 -0.073 0.000 1.085 73 D CB 0.313 41.032 40.800 -0.134 0.000 1.134 73 D HN 0.412 nan 8.370 nan 0.000 0.583 74 D N -0.969 119.416 120.400 -0.024 0.000 2.264 74 D HA -0.023 4.617 4.640 -0.000 0.000 0.208 74 D C 1.497 177.809 176.300 0.021 0.000 0.966 74 D CA 1.250 55.250 54.000 -0.001 0.000 0.864 74 D CB -0.198 40.598 40.800 -0.006 0.000 0.933 74 D HN 0.504 nan 8.370 nan 0.000 0.499 75 A N -0.291 122.535 122.820 0.009 0.000 2.195 75 A HA 0.433 4.752 4.320 -0.000 0.000 0.210 75 A C 1.684 179.350 177.584 0.137 0.000 1.165 75 A CA 0.905 52.965 52.037 0.038 0.000 0.806 75 A CB 0.110 19.075 19.000 -0.060 0.000 0.847 75 A HN 0.210 nan 8.150 nan 0.000 0.482 76 G N -1.209 107.661 108.800 0.118 0.000 2.140 76 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.211 76 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.211 76 G C -0.086 174.982 174.900 0.280 0.000 1.013 76 G CA 0.016 45.253 45.100 0.228 0.000 0.705 76 G HN 0.831 nan 8.290 nan 0.000 0.508 77 V N 1.220 121.153 119.914 0.032 0.000 2.370 77 V HA 0.603 4.722 4.120 -0.000 0.000 0.279 77 V C 0.733 176.704 176.094 -0.205 0.000 1.029 77 V CA -0.979 61.253 62.300 -0.113 0.000 0.870 77 V CB 1.591 33.252 31.823 -0.271 0.000 0.984 77 V HN 0.469 nan 8.190 nan 0.000 0.451 78 L N 7.981 128.977 121.223 -0.378 0.000 2.477 78 L HA 0.452 4.792 4.340 -0.000 0.000 0.272 78 L C -0.214 176.276 176.870 -0.635 0.000 1.157 78 L CA 0.786 55.177 54.840 -0.748 0.000 0.889 78 L CB -0.165 41.432 42.059 -0.769 0.000 1.158 78 L HN 0.684 nan 8.230 nan 0.000 0.473 79 I N 0.968 121.068 120.570 -0.783 0.000 3.174 79 I HA 0.505 4.675 4.170 -0.000 0.000 0.313 79 I C -1.215 174.278 176.117 -1.040 0.000 1.155 79 I CA -0.922 59.561 61.300 -1.363 0.000 0.977 79 I CB 2.252 39.585 38.000 -1.111 0.000 1.248 79 I HN 0.612 nan 8.210 nan 0.000 0.453 80 H N 2.400 120.666 119.070 -1.339 0.000 2.661 80 H HA 0.317 4.873 4.556 -0.000 0.000 0.290 80 H C -2.149 173.011 175.328 -0.279 0.000 1.082 80 H CA -1.941 53.816 56.048 -0.486 0.000 1.234 80 H CB 1.131 30.884 29.762 -0.015 0.000 1.387 80 H HN 0.429 nan 8.280 nan 0.000 0.476 81 P HA -0.206 nan 4.420 nan 0.000 0.217 81 P C 0.018 176.978 177.300 -0.567 0.000 1.148 81 P CA 1.414 64.268 63.100 -0.411 0.000 0.828 81 P CB 0.093 31.436 31.700 -0.595 0.000 0.783 82 Y N -1.023 119.068 120.300 -0.348 0.000 2.683 82 Y HA 0.492 5.042 4.550 -0.000 0.000 0.297 82 Y C 1.427 176.856 175.900 -0.785 0.000 1.147 82 Y CA 0.067 57.700 58.100 -0.778 0.000 1.274 82 Y CB -0.169 38.138 38.460 -0.256 0.000 1.143 82 Y HN -0.057 nan 8.280 nan 0.000 0.527 83 G N 0.493 109.051 108.800 -0.403 0.000 2.612 83 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 83 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 83 G C -3.236 171.936 174.900 0.454 0.000 1.274 83 G CA -1.623 43.511 45.100 0.057 0.000 0.849 83 G HN -0.064 nan 8.290 nan 0.000 0.595 84 P HA 0.392 nan 4.420 nan 0.000 0.271 84 P C -0.630 176.880 177.300 0.351 0.000 1.226 84 P CA 0.208 63.581 63.100 0.456 0.000 0.765 84 P CB 0.407 32.184 31.700 0.128 0.000 0.835 85 H N 2.828 122.176 119.070 0.463 0.000 2.792 85 H HA 0.425 4.981 4.556 -0.000 0.000 0.298 85 H C -0.331 175.236 175.328 0.398 0.000 1.042 85 H CA -0.363 55.822 56.048 0.228 0.000 1.300 85 H CB 0.011 29.694 29.762 -0.131 0.000 1.431 85 H HN 0.240 nan 8.280 nan 0.000 0.496 86 I N 3.284 124.081 120.570 0.379 0.000 2.321 86 I HA 0.120 4.290 4.170 -0.000 0.000 0.291 86 I C -0.244 176.122 176.117 0.416 0.000 0.998 86 I CA -0.492 61.072 61.300 0.440 0.000 1.227 86 I CB 0.457 38.658 38.000 0.334 0.000 1.368 86 I HN 0.405 nan 8.210 nan 0.000 0.466 87 F N 7.463 127.642 119.950 0.382 0.000 2.420 87 F HA 0.489 5.015 4.527 -0.000 0.000 0.352 87 F C 0.071 175.947 175.800 0.127 0.000 1.108 87 F CA 0.053 58.198 58.000 0.242 0.000 1.162 87 F CB 0.159 39.402 39.000 0.406 0.000 1.118 87 F HN 0.656 nan 8.300 nan 0.000 0.510 88 H N 1.601 120.122 119.070 -0.915 0.000 2.974 88 H HA 0.666 5.222 4.556 -0.000 0.000 0.366 88 H C -1.133 173.721 175.328 -0.790 0.000 1.155 88 H CA -1.025 54.597 56.048 -0.710 0.000 1.186 88 H CB 1.905 31.213 29.762 -0.755 0.000 1.799 88 H HN 0.575 nan 8.280 nan 0.000 0.541 89 T N 0.865 115.185 114.554 -0.389 0.000 2.840 89 T HA 0.266 4.616 4.350 -0.000 0.000 0.317 89 T C -0.574 174.133 174.700 0.013 0.000 1.401 89 T CA -0.792 61.162 62.100 -0.244 0.000 1.028 89 T CB 1.349 70.091 68.868 -0.211 0.000 1.317 89 T HN 0.793 nan 8.240 nan 0.000 0.495 90 N N 0.969 119.684 118.700 0.026 0.000 2.220 90 N HA 0.106 4.846 4.740 -0.000 0.000 0.195 90 N C 0.164 175.771 175.510 0.163 0.000 1.123 90 N CA -0.025 53.074 53.050 0.082 0.000 0.874 90 N CB 0.914 39.404 38.487 0.004 0.000 0.995 90 N HN 0.472 nan 8.380 nan 0.000 0.498 91 S N 1.366 117.127 115.700 0.101 0.000 2.422 91 S HA 0.115 4.585 4.470 -0.000 0.000 0.283 91 S C 1.282 175.904 174.600 0.036 0.000 1.163 91 S CA -0.415 57.826 58.200 0.068 0.000 1.054 91 S CB 1.068 64.277 63.200 0.016 0.000 0.967 91 S HN 0.133 nan 8.310 nan 0.000 0.499 92 K N 3.803 124.226 120.400 0.038 0.000 2.057 92 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 92 K C 1.340 177.901 176.600 -0.065 0.000 1.049 92 K CA 1.977 58.183 56.287 -0.135 0.000 0.931 92 K CB -0.322 32.187 32.500 0.015 0.000 0.714 92 K HN 0.752 nan 8.250 nan 0.000 0.440 93 D N 0.038 120.441 120.400 0.006 0.000 2.127 93 D HA -0.191 4.449 4.640 -0.000 0.000 0.190 93 D C 1.812 178.154 176.300 0.071 0.000 1.000 93 D CA 1.861 55.880 54.000 0.032 0.000 0.839 93 D CB -0.048 40.767 40.800 0.024 0.000 0.955 93 D HN 0.036 nan 8.370 nan 0.000 0.446 94 V N 0.018 119.979 119.914 0.078 0.000 2.287 94 V HA -0.222 3.897 4.120 -0.000 0.000 0.248 94 V C 2.200 178.425 176.094 0.217 0.000 1.053 94 V CA 1.840 64.233 62.300 0.156 0.000 1.027 94 V CB -0.734 31.174 31.823 0.141 0.000 0.646 94 V HN 0.261 nan 8.190 nan 0.000 0.447 95 F N 1.052 120.974 119.950 -0.048 0.000 2.102 95 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 95 F C 2.536 178.291 175.800 -0.075 0.000 1.105 95 F CA 2.038 59.940 58.000 -0.163 0.000 1.239 95 F CB -0.083 38.552 39.000 -0.609 0.000 0.991 95 F HN 0.202 nan 8.300 nan 0.000 0.474 96 E N -0.959 119.221 120.200 -0.033 0.000 2.106 96 E HA -0.263 4.087 4.350 -0.000 0.000 0.192 96 E C 1.917 178.489 176.600 -0.046 0.000 0.984 96 E CA 1.342 57.706 56.400 -0.060 0.000 0.806 96 E CB -0.623 29.078 29.700 0.001 0.000 0.750 96 E HN 0.607 nan 8.360 nan 0.000 0.458 97 Y N 1.801 122.067 120.300 -0.056 0.000 2.049 97 Y HA -0.245 4.305 4.550 -0.000 0.000 0.277 97 Y C 2.064 177.972 175.900 0.014 0.000 1.143 97 Y CA 1.287 59.379 58.100 -0.014 0.000 1.115 97 Y CB -0.368 38.130 38.460 0.062 0.000 0.975 97 Y HN -0.063 nan 8.280 nan 0.000 0.487 98 L N 0.144 121.364 121.223 -0.005 0.000 2.261 98 L HA -0.200 4.140 4.340 -0.000 0.000 0.216 98 L C 2.476 179.257 176.870 -0.149 0.000 1.114 98 L CA 1.748 56.579 54.840 -0.015 0.000 0.777 98 L CB -1.553 40.565 42.059 0.099 0.000 0.910 98 L HN 0.245 nan 8.230 nan 0.000 0.440 99 S N -0.906 114.699 115.700 -0.159 0.000 2.474 99 S HA -0.108 4.362 4.470 -0.000 0.000 0.235 99 S C 1.898 176.271 174.600 -0.379 0.000 0.997 99 S CA 0.594 58.703 58.200 -0.153 0.000 0.949 99 S CB -0.163 62.981 63.200 -0.093 0.000 0.766 99 S HN 0.447 nan 8.310 nan 0.000 0.517 100 R N -0.175 119.936 120.500 -0.650 0.000 2.280 100 R HA 0.060 4.400 4.340 -0.000 0.000 0.207 100 R C 0.455 176.108 176.300 -1.078 0.000 1.043 100 R CA 0.893 56.425 56.100 -0.946 0.000 1.006 100 R CB -0.119 29.399 30.300 -1.302 0.000 0.885 100 R HN 0.444 nan 8.270 nan 0.000 0.467 101 F N -1.629 118.099 119.950 -0.371 0.000 2.746 101 F HA 0.301 4.828 4.527 -0.000 0.000 0.320 101 F C 0.340 175.905 175.800 -0.391 0.000 1.097 101 F CA -0.427 57.358 58.000 -0.358 0.000 1.195 101 F CB 1.328 40.088 39.000 -0.400 0.000 1.056 101 F HN -0.249 nan 8.300 nan 0.000 0.562 102 T N -0.191 114.133 114.554 -0.384 0.000 2.907 102 T HA 0.229 4.579 4.350 -0.000 0.000 0.344 102 T C -1.195 173.079 174.700 -0.711 0.000 1.675 102 T CA -0.602 61.184 62.100 -0.523 0.000 1.076 102 T CB 1.291 69.742 68.868 -0.694 0.000 1.483 102 T HN 0.078 nan 8.240 nan 0.000 0.487 103 E N 1.177 121.055 120.200 -0.537 0.000 2.312 103 E HA 0.514 4.864 4.350 -0.000 0.000 0.259 103 E C -0.944 175.275 176.600 -0.635 0.000 1.122 103 E CA -0.515 55.615 56.400 -0.449 0.000 0.922 103 E CB 0.920 30.501 29.700 -0.198 0.000 1.109 103 E HN 0.490 nan 8.360 nan 0.000 0.442 104 W N 0.450 121.704 121.300 -0.078 0.000 2.761 104 W HA 0.391 5.050 4.660 -0.000 0.000 0.340 104 W C -0.155 176.369 176.519 0.008 0.000 1.072 104 W CA -0.775 56.560 57.345 -0.018 0.000 1.215 104 W CB 1.199 30.728 29.460 0.115 0.000 1.420 104 W HN 0.135 nan 8.180 nan 0.000 0.519 105 R N 3.397 124.067 120.500 0.283 0.000 2.275 105 R HA 0.379 4.719 4.340 -0.000 0.000 0.326 105 R C -2.620 173.859 176.300 0.297 0.000 0.973 105 R CA -1.827 54.397 56.100 0.207 0.000 0.854 105 R CB 1.016 31.377 30.300 0.102 0.000 1.156 105 R HN 0.107 nan 8.270 nan 0.000 0.487 106 P HA -0.046 nan 4.420 nan 0.000 0.262 106 P C -1.618 175.867 177.300 0.308 0.000 1.199 106 P CA 0.445 63.693 63.100 0.248 0.000 0.763 106 P CB 0.001 31.799 31.700 0.164 0.000 0.790 107 Y N 2.496 122.904 120.300 0.181 0.000 2.441 107 Y HA 0.337 4.886 4.550 -0.000 0.000 0.334 107 Y C -1.077 174.947 175.900 0.206 0.000 1.061 107 Y CA -0.657 57.557 58.100 0.190 0.000 1.032 107 Y CB 1.988 40.584 38.460 0.228 0.000 1.266 107 Y HN 0.276 nan 8.280 nan 0.000 0.441 108 Q N 5.296 124.791 119.800 -0.508 0.000 2.456 108 Q HA 0.172 4.512 4.340 -0.000 0.000 0.252 108 Q C -1.222 174.404 176.000 -0.622 0.000 1.042 108 Q CA -0.848 54.722 55.803 -0.388 0.000 0.766 108 Q CB 0.979 29.626 28.738 -0.151 0.000 1.196 108 Q HN 0.732 nan 8.270 nan 0.000 0.504 109 H N 2.408 121.083 119.070 -0.658 0.000 3.064 109 H HA 0.037 4.592 4.556 -0.000 0.000 0.329 109 H C -0.619 174.613 175.328 -0.161 0.000 1.020 109 H CA 1.087 56.949 56.048 -0.309 0.000 1.402 109 H CB 0.476 30.378 29.762 0.233 0.000 1.379 109 H HN 0.374 nan 8.280 nan 0.000 0.594 110 R N 3.853 123.992 120.500 -0.603 0.000 2.502 110 R HA 0.360 4.699 4.340 -0.000 0.000 0.298 110 R C -1.351 174.619 176.300 -0.550 0.000 1.018 110 R CA -0.901 54.944 56.100 -0.426 0.000 0.899 110 R CB 1.823 31.972 30.300 -0.251 0.000 1.181 110 R HN 0.317 nan 8.270 nan 0.000 0.444 111 V N 4.345 124.005 119.914 -0.424 0.000 2.617 111 V HA 0.428 4.548 4.120 -0.000 0.000 0.298 111 V C -0.434 175.521 176.094 -0.232 0.000 1.048 111 V CA -0.798 61.271 62.300 -0.385 0.000 0.964 111 V CB 1.674 33.218 31.823 -0.466 0.000 1.004 111 V HN 0.444 nan 8.190 nan 0.000 0.466 112 L N 3.305 124.391 121.223 -0.228 0.000 2.346 112 L HA 0.813 5.153 4.340 -0.000 0.000 0.276 112 L C 0.173 176.931 176.870 -0.187 0.000 1.006 112 L CA -0.402 54.334 54.840 -0.173 0.000 0.817 112 L CB 1.601 43.556 42.059 -0.173 0.000 1.272 112 L HN 0.788 nan 8.230 nan 0.000 0.421 113 A N 1.644 124.391 122.820 -0.121 0.000 2.304 113 A HA 0.612 4.931 4.320 -0.000 0.000 0.323 113 A C -0.163 177.305 177.584 -0.193 0.000 1.195 113 A CA -0.421 51.528 52.037 -0.148 0.000 0.826 113 A CB 0.996 19.992 19.000 -0.006 0.000 1.184 113 A HN 0.585 nan 8.150 nan 0.000 0.496 114 S N 2.241 117.764 115.700 -0.296 0.000 2.494 114 S HA 0.458 4.928 4.470 -0.000 0.000 0.312 114 S C -0.515 173.973 174.600 -0.187 0.000 1.121 114 S CA -0.257 57.812 58.200 -0.218 0.000 1.068 114 S CB -0.811 62.252 63.200 -0.229 0.000 1.141 114 S HN 0.612 nan 8.310 nan 0.000 0.527 115 V N 4.825 124.606 119.914 -0.221 0.000 2.588 115 V HA 0.382 4.502 4.120 -0.000 0.000 0.304 115 V C -0.242 175.754 176.094 -0.164 0.000 1.042 115 V CA -0.848 61.274 62.300 -0.297 0.000 0.877 115 V CB 1.727 33.166 31.823 -0.639 0.000 0.996 115 V HN 0.819 nan 8.190 nan 0.000 0.425 116 D N 3.789 124.115 120.400 -0.123 0.000 2.708 116 D HA -0.183 4.456 4.640 -0.000 0.000 0.236 116 D C 1.363 177.640 176.300 -0.039 0.000 1.146 116 D CA 1.928 55.889 54.000 -0.064 0.000 0.662 116 D CB -1.101 39.668 40.800 -0.053 0.000 1.059 116 D HN 1.458 nan 8.370 nan 0.000 0.428 117 G N -1.094 107.690 108.800 -0.028 0.000 2.189 117 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.267 117 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.267 117 G C 0.361 175.257 174.900 -0.005 0.000 0.975 117 G CA 0.921 46.021 45.100 -0.000 0.000 0.644 117 G HN 0.546 nan 8.290 nan 0.000 0.537 118 Q N -0.968 118.814 119.800 -0.031 0.000 2.195 118 Q HA 0.737 5.077 4.340 -0.000 0.000 0.250 118 Q C 0.063 176.033 176.000 -0.051 0.000 0.988 118 Q CA -0.814 54.969 55.803 -0.033 0.000 0.911 118 Q CB 1.358 30.076 28.738 -0.034 0.000 1.258 118 Q HN 0.280 nan 8.270 nan 0.000 0.475 119 L N 2.649 123.842 121.223 -0.049 0.000 2.313 119 L HA 0.333 4.673 4.340 -0.000 0.000 0.273 119 L C -1.211 175.631 176.870 -0.047 0.000 1.028 119 L CA -0.558 54.240 54.840 -0.070 0.000 0.871 119 L CB 0.360 42.372 42.059 -0.079 0.000 1.242 119 L HN 0.246 nan 8.230 nan 0.000 0.434 120 L N 4.869 126.083 121.223 -0.015 0.000 2.334 120 L HA 0.632 4.972 4.340 -0.000 0.000 0.272 120 L C -2.143 174.740 176.870 0.023 0.000 1.020 120 L CA -2.321 52.538 54.840 0.032 0.000 0.812 120 L CB 0.990 43.136 42.059 0.146 0.000 1.264 120 L HN 0.195 nan 8.230 nan 0.000 0.439 121 P HA 0.302 nan 4.420 nan 0.000 0.271 121 P C -1.037 176.219 177.300 -0.073 0.000 1.216 121 P CA -0.009 63.055 63.100 -0.060 0.000 0.776 121 P CB 0.751 32.403 31.700 -0.079 0.000 0.881 122 I N 3.951 124.482 120.570 -0.065 0.000 2.610 122 I HA 0.436 4.605 4.170 -0.000 0.000 0.289 122 I C -2.768 173.341 176.117 -0.014 0.000 1.163 122 I CA -3.353 57.898 61.300 -0.082 0.000 1.044 122 I CB 1.940 39.916 38.000 -0.041 0.000 1.251 122 I HN 0.177 nan 8.210 nan 0.000 0.424 123 P HA 0.060 nan 4.420 nan 0.000 0.266 123 P C -0.389 176.799 177.300 -0.187 0.000 1.180 123 P CA 0.391 63.379 63.100 -0.188 0.000 0.765 123 P CB 0.256 31.825 31.700 -0.219 0.000 0.806 124 I N 2.948 123.383 120.570 -0.226 0.000 2.683 124 I HA -0.006 4.164 4.170 -0.000 0.000 0.286 124 I C 1.157 177.210 176.117 -0.108 0.000 1.175 124 I CA 0.705 61.843 61.300 -0.271 0.000 1.429 124 I CB -0.076 37.738 38.000 -0.310 0.000 1.371 124 I HN 0.544 nan 8.210 nan 0.000 0.569 125 N N 5.680 124.338 118.700 -0.071 0.000 3.278 125 N HA 0.239 4.979 4.740 -0.000 0.000 0.307 125 N C 0.235 175.739 175.510 -0.010 0.000 1.551 125 N CA -0.882 52.162 53.050 -0.010 0.000 0.794 125 N CB 0.607 39.059 38.487 -0.058 0.000 1.770 125 N HN 0.426 nan 8.380 nan 0.000 0.612 126 L N -0.130 121.067 121.223 -0.045 0.000 2.012 126 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 126 L C 0.824 177.632 176.870 -0.103 0.000 1.073 126 L CA 2.048 56.830 54.840 -0.097 0.000 0.748 126 L CB -0.370 41.624 42.059 -0.109 0.000 0.891 126 L HN 0.525 nan 8.230 nan 0.000 0.431 127 D N -1.018 119.331 120.400 -0.085 0.000 2.144 127 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 127 D C 1.988 178.239 176.300 -0.082 0.000 0.978 127 D CA 1.682 55.634 54.000 -0.080 0.000 0.833 127 D CB -0.005 40.754 40.800 -0.068 0.000 0.961 127 D HN 0.388 nan 8.370 nan 0.000 0.470 128 T N 0.873 115.375 114.554 -0.087 0.000 2.708 128 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 128 T C 2.327 176.959 174.700 -0.112 0.000 1.037 128 T CA 0.831 62.875 62.100 -0.094 0.000 1.146 128 T CB -0.319 68.446 68.868 -0.172 0.000 0.865 128 T HN -0.016 nan 8.240 nan 0.000 0.435 129 V N 2.265 122.109 119.914 -0.117 0.000 2.270 129 V HA -0.151 3.968 4.120 -0.000 0.000 0.245 129 V C 2.518 178.510 176.094 -0.171 0.000 1.043 129 V CA 1.525 63.731 62.300 -0.157 0.000 1.014 129 V CB -0.707 30.983 31.823 -0.221 0.000 0.645 129 V HN 0.370 nan 8.190 nan 0.000 0.447 130 N N 0.436 119.045 118.700 -0.152 0.000 2.061 130 N HA -0.175 4.565 4.740 -0.000 0.000 0.193 130 N C 1.977 177.442 175.510 -0.075 0.000 1.030 130 N CA 1.654 54.637 53.050 -0.111 0.000 0.856 130 N CB -0.374 38.052 38.487 -0.101 0.000 1.023 130 N HN 0.455 nan 8.380 nan 0.000 0.424 131 R N -0.117 120.335 120.500 -0.080 0.000 2.092 131 R HA -0.029 4.311 4.340 -0.000 0.000 0.231 131 R C 2.028 178.285 176.300 -0.071 0.000 1.119 131 R CA 0.553 56.618 56.100 -0.060 0.000 0.970 131 R CB -0.384 29.886 30.300 -0.051 0.000 0.864 131 R HN 0.159 nan 8.270 nan 0.000 0.440 132 L N -0.352 120.786 121.223 -0.142 0.000 2.027 132 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 132 L C 1.240 178.000 176.870 -0.184 0.000 1.074 132 L CA 1.812 56.516 54.840 -0.227 0.000 0.745 132 L CB -0.255 41.551 42.059 -0.420 0.000 0.898 132 L HN 0.074 nan 8.230 nan 0.000 0.433 133 Y N 0.282 120.589 120.300 0.012 0.000 2.457 133 Y HA 0.461 5.011 4.550 -0.000 0.000 0.263 133 Y C 1.677 177.569 175.900 -0.014 0.000 1.164 133 Y CA -0.456 57.648 58.100 0.008 0.000 1.274 133 Y CB -0.632 37.826 38.460 -0.005 0.000 1.097 133 Y HN 0.255 nan 8.280 nan 0.000 0.523 134 G N 1.214 110.064 108.800 0.084 0.000 2.323 134 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.292 134 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.292 134 G C -0.056 174.861 174.900 0.030 0.000 1.040 134 G CA 0.227 45.352 45.100 0.042 0.000 0.942 134 G HN 0.309 nan 8.290 nan 0.000 0.506 135 L N -0.897 120.332 121.223 0.010 0.000 2.416 135 L HA 0.542 4.882 4.340 -0.000 0.000 0.263 135 L C 0.908 177.749 176.870 -0.049 0.000 1.065 135 L CA -1.040 53.782 54.840 -0.030 0.000 0.798 135 L CB 0.933 42.938 42.059 -0.090 0.000 1.267 135 L HN 0.082 nan 8.230 nan 0.000 0.467 136 N N 1.145 119.812 118.700 -0.055 0.000 2.571 136 N HA 0.289 5.029 4.740 -0.000 0.000 0.298 136 N C -0.845 174.631 175.510 -0.056 0.000 1.671 136 N CA -0.101 52.920 53.050 -0.048 0.000 0.900 136 N CB 0.686 39.157 38.487 -0.026 0.000 1.365 136 N HN 0.369 nan 8.380 nan 0.000 0.493 137 L N 1.234 122.400 121.223 -0.096 0.000 2.456 137 L HA 0.149 4.489 4.340 -0.000 0.000 0.272 137 L C 1.567 178.397 176.870 -0.068 0.000 1.189 137 L CA 0.083 54.866 54.840 -0.096 0.000 0.846 137 L CB 0.315 42.262 42.059 -0.187 0.000 1.111 137 L HN 0.146 nan 8.230 nan 0.000 0.475 138 T N -1.331 113.214 114.554 -0.015 0.000 2.816 138 T HA 0.134 4.484 4.350 -0.000 0.000 0.282 138 T C 1.213 175.880 174.700 -0.055 0.000 0.993 138 T CA -0.531 61.578 62.100 0.015 0.000 0.994 138 T CB 1.358 70.322 68.868 0.160 0.000 1.025 138 T HN 0.558 nan 8.240 nan 0.000 0.529 139 S N 0.323 115.927 115.700 -0.160 0.000 2.365 139 S HA -0.085 4.385 4.470 -0.000 0.000 0.225 139 S C 1.522 175.955 174.600 -0.278 0.000 1.039 139 S CA 1.509 59.527 58.200 -0.303 0.000 1.033 139 S CB -0.799 62.096 63.200 -0.509 0.000 0.887 139 S HN 0.690 nan 8.310 nan 0.000 0.447 140 F N 1.786 121.718 119.950 -0.030 0.000 2.269 140 F HA -0.081 4.445 4.527 -0.000 0.000 0.301 140 F C 2.576 178.364 175.800 -0.021 0.000 1.082 140 F CA 0.733 58.722 58.000 -0.018 0.000 1.360 140 F CB -0.522 38.469 39.000 -0.014 0.000 1.041 140 F HN 0.245 nan 8.300 nan 0.000 0.512 141 Q N -0.549 119.323 119.800 0.121 0.000 2.123 141 Q HA -0.064 4.275 4.340 -0.000 0.000 0.196 141 Q C 2.448 178.445 176.000 -0.004 0.000 0.958 141 Q CA 0.990 56.828 55.803 0.059 0.000 0.841 141 Q CB -0.525 28.232 28.738 0.033 0.000 0.915 141 Q HN 0.311 nan 8.270 nan 0.000 0.455 142 V N 1.562 121.406 119.914 -0.116 0.000 2.867 142 V HA -0.253 3.867 4.120 -0.000 0.000 0.260 142 V C 2.015 177.945 176.094 -0.273 0.000 1.099 142 V CA 1.864 63.983 62.300 -0.302 0.000 1.122 142 V CB -0.189 31.380 31.823 -0.423 0.000 0.708 142 V HN 0.374 nan 8.190 nan 0.000 0.490 143 E N -0.232 119.936 120.200 -0.052 0.000 2.046 143 E HA -0.221 4.129 4.350 -0.000 0.000 0.190 143 E C 2.083 178.745 176.600 0.103 0.000 0.982 143 E CA 1.405 57.852 56.400 0.077 0.000 0.800 143 E CB -0.094 29.654 29.700 0.080 0.000 0.756 143 E HN 0.765 nan 8.360 nan 0.000 0.449 144 E N -0.064 120.184 120.200 0.081 0.000 2.106 144 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 144 E C 1.783 178.429 176.600 0.076 0.000 0.984 144 E CA 0.979 57.424 56.400 0.075 0.000 0.806 144 E CB -0.232 29.509 29.700 0.068 0.000 0.750 144 E HN 0.288 nan 8.360 nan 0.000 0.458 145 F N 0.952 120.850 119.950 -0.086 0.000 2.046 145 F HA -0.260 4.267 4.527 -0.000 0.000 0.297 145 F C 1.789 177.585 175.800 -0.006 0.000 1.123 145 F CA 1.426 59.362 58.000 -0.107 0.000 1.199 145 F CB -0.209 38.649 39.000 -0.237 0.000 0.972 145 F HN -0.094 nan 8.300 nan 0.000 0.474 146 F N 1.063 121.094 119.950 0.134 0.000 2.091 146 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 146 F C 2.716 178.461 175.800 -0.093 0.000 1.103 146 F CA 1.042 59.045 58.000 0.005 0.000 1.228 146 F CB -1.816 37.242 39.000 0.096 0.000 0.984 146 F HN 0.120 nan 8.300 nan 0.000 0.477 147 A N -0.111 122.797 122.820 0.146 0.000 1.917 147 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 147 A C 2.348 179.919 177.584 -0.023 0.000 1.182 147 A CA 2.516 54.583 52.037 0.050 0.000 0.633 147 A CB -1.252 17.776 19.000 0.046 0.000 0.819 147 A HN 0.436 nan 8.150 nan 0.000 0.448 148 S N -0.779 114.871 115.700 -0.083 0.000 2.522 148 S HA 0.066 4.536 4.470 -0.000 0.000 0.227 148 S C 1.255 175.755 174.600 -0.167 0.000 0.986 148 S CA 1.082 59.207 58.200 -0.124 0.000 0.929 148 S CB -0.297 62.816 63.200 -0.145 0.000 0.769 148 S HN 1.125 nan 8.310 nan 0.000 0.529 149 V N -2.739 117.059 119.914 -0.192 0.000 3.556 149 V HA 0.672 4.792 4.120 -0.000 0.000 0.287 149 V C 0.782 176.830 176.094 -0.077 0.000 1.422 149 V CA -0.272 61.929 62.300 -0.165 0.000 1.038 149 V CB -0.701 30.967 31.823 -0.258 0.000 0.850 149 V HN 0.519 nan 8.190 nan 0.000 0.437 150 A N 1.186 123.973 122.820 -0.055 0.000 2.477 150 A HA 0.411 4.731 4.320 -0.000 0.000 0.246 150 A C 0.257 177.807 177.584 -0.056 0.000 1.078 150 A CA -0.011 51.998 52.037 -0.048 0.000 0.770 150 A CB -0.193 18.784 19.000 -0.037 0.000 1.011 150 A HN 0.652 nan 8.150 nan 0.000 0.494 151 E N 1.914 122.074 120.200 -0.068 0.000 2.259 151 E HA 0.200 4.550 4.350 -0.000 0.000 0.281 151 E C -0.378 176.180 176.600 -0.070 0.000 1.027 151 E CA -0.746 55.613 56.400 -0.069 0.000 0.838 151 E CB 0.888 30.538 29.700 -0.084 0.000 1.066 151 E HN 0.359 nan 8.360 nan 0.000 0.401 152 K N 1.785 122.151 120.400 -0.057 0.000 2.270 152 K HA 0.324 4.643 4.320 -0.000 0.000 0.276 152 K C -0.721 175.845 176.600 -0.056 0.000 1.023 152 K CA -0.437 55.819 56.287 -0.052 0.000 0.955 152 K CB 1.351 33.827 32.500 -0.040 0.000 0.975 152 K HN 0.241 nan 8.250 nan 0.000 0.471 153 V N 2.918 122.798 119.914 -0.056 0.000 2.525 153 V HA 0.080 4.200 4.120 -0.000 0.000 0.299 153 V C 1.195 177.262 176.094 -0.045 0.000 1.034 153 V CA -0.616 61.650 62.300 -0.056 0.000 0.863 153 V CB 1.643 33.425 31.823 -0.070 0.000 0.999 153 V HN 0.731 nan 8.190 nan 0.000 0.423 154 E N 2.681 122.858 120.200 -0.038 0.000 2.070 154 E HA -0.178 4.171 4.350 -0.000 0.000 0.197 154 E C 0.812 177.394 176.600 -0.031 0.000 1.004 154 E CA 1.709 58.091 56.400 -0.031 0.000 0.805 154 E CB 0.201 29.885 29.700 -0.027 0.000 0.744 154 E HN 0.703 nan 8.360 nan 0.000 0.451 155 Q N -0.729 119.051 119.800 -0.034 0.000 2.280 155 Q HA 0.291 4.631 4.340 -0.000 0.000 0.259 155 Q C -1.770 174.206 176.000 -0.040 0.000 0.964 155 Q CA -0.536 55.247 55.803 -0.033 0.000 0.844 155 Q CB 1.842 30.564 28.738 -0.026 0.000 1.334 155 Q HN -0.045 nan 8.270 nan 0.000 0.423 156 V N 5.012 124.899 119.914 -0.045 0.000 2.521 156 V HA 0.191 4.311 4.120 -0.000 0.000 0.286 156 V C 0.745 176.812 176.094 -0.045 0.000 1.034 156 V CA 0.650 62.917 62.300 -0.054 0.000 1.045 156 V CB 0.853 32.639 31.823 -0.061 0.000 0.974 156 V HN 0.843 nan 8.190 nan 0.000 0.480 157 R N 1.863 122.335 120.500 -0.047 0.000 2.562 157 R HA 0.141 4.481 4.340 -0.000 0.000 0.191 157 R C 0.804 177.079 176.300 -0.042 0.000 0.835 157 R CA 0.403 56.480 56.100 -0.038 0.000 1.036 157 R CB 0.326 30.607 30.300 -0.031 0.000 1.437 157 R HN 0.737 nan 8.270 nan 0.000 0.654 158 T N -1.710 112.815 114.554 -0.049 0.000 2.881 158 T HA 0.245 4.595 4.350 -0.000 0.000 0.278 158 T C 1.064 175.734 174.700 -0.051 0.000 0.982 158 T CA -0.547 61.526 62.100 -0.046 0.000 0.989 158 T CB 1.840 70.685 68.868 -0.039 0.000 1.058 158 T HN -0.154 nan 8.240 nan 0.000 0.529 159 S N -0.478 115.202 115.700 -0.033 0.000 2.447 159 S HA -0.068 4.402 4.470 -0.000 0.000 0.233 159 S C 1.796 176.395 174.600 -0.001 0.000 1.006 159 S CA 1.020 59.213 58.200 -0.012 0.000 0.957 159 S CB -0.462 62.755 63.200 0.029 0.000 0.773 159 S HN 0.863 nan 8.310 nan 0.000 0.507 160 E N 0.822 121.010 120.200 -0.020 0.000 2.107 160 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 160 E C 1.066 177.509 176.600 -0.261 0.000 0.982 160 E CA 1.000 57.303 56.400 -0.162 0.000 0.809 160 E CB 0.084 29.681 29.700 -0.171 0.000 0.756 160 E HN 0.346 nan 8.360 nan 0.000 0.459 161 D N 0.291 120.593 120.400 -0.165 0.000 2.097 161 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 161 D C 2.191 178.396 176.300 -0.159 0.000 0.984 161 D CA 1.800 55.708 54.000 -0.154 0.000 0.826 161 D CB -0.388 40.349 40.800 -0.105 0.000 0.973 161 D HN 0.268 nan 8.370 nan 0.000 0.460 162 V N -0.377 119.451 119.914 -0.144 0.000 2.332 162 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 162 V C 2.423 178.390 176.094 -0.213 0.000 1.055 162 V CA 1.324 63.532 62.300 -0.154 0.000 1.038 162 V CB -1.145 30.597 31.823 -0.135 0.000 0.651 162 V HN 0.001 nan 8.190 nan 0.000 0.450 163 V N -0.286 119.469 119.914 -0.265 0.000 2.256 163 V HA -0.118 4.002 4.120 -0.000 0.000 0.240 163 V C 2.637 178.590 176.094 -0.236 0.000 1.036 163 V CA 1.813 63.912 62.300 -0.336 0.000 1.008 163 V CB -0.424 31.170 31.823 -0.382 0.000 0.648 163 V HN 0.371 nan 8.190 nan 0.000 0.453 164 V N 1.491 121.247 119.914 -0.263 0.000 2.439 164 V HA -0.254 3.866 4.120 -0.000 0.000 0.253 164 V C 2.622 178.617 176.094 -0.165 0.000 1.074 164 V CA 2.474 64.630 62.300 -0.239 0.000 1.076 164 V CB -0.657 30.939 31.823 -0.379 0.000 0.664 164 V HN 0.785 nan 8.190 nan 0.000 0.461 165 S N -1.687 113.915 115.700 -0.164 0.000 2.561 165 S HA -0.015 4.455 4.470 -0.000 0.000 0.225 165 S C 1.611 176.141 174.600 -0.118 0.000 0.977 165 S CA 0.699 58.825 58.200 -0.123 0.000 0.926 165 S CB -0.033 63.100 63.200 -0.111 0.000 0.769 165 S HN 0.674 nan 8.310 nan 0.000 0.533 166 K N 0.410 120.716 120.400 -0.157 0.000 2.380 166 K HA 0.228 4.547 4.320 -0.000 0.000 0.200 166 K C 1.362 177.795 176.600 -0.279 0.000 1.201 166 K CA 0.945 57.116 56.287 -0.194 0.000 0.916 166 K CB 0.680 33.039 32.500 -0.235 0.000 1.187 166 K HN 0.349 nan 8.250 nan 0.000 0.498 167 V N -2.423 117.326 119.914 -0.275 0.000 3.432 167 V HA 0.461 4.581 4.120 -0.000 0.000 0.298 167 V C 0.393 176.500 176.094 0.021 0.000 1.464 167 V CA 0.028 62.158 62.300 -0.282 0.000 1.046 167 V CB 0.004 31.587 31.823 -0.399 0.000 0.887 167 V HN 0.355 nan 8.190 nan 0.000 0.441 168 G N 1.539 110.336 108.800 -0.005 0.000 2.746 168 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.685 168 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.685 168 G C 0.117 175.079 174.900 0.103 0.000 1.350 168 G CA 0.305 45.425 45.100 0.033 0.000 0.837 168 G HN 0.660 nan 8.290 nan 0.000 0.564 169 R N 0.171 120.723 120.500 0.087 0.000 2.096 169 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 169 R C 2.095 178.560 176.300 0.275 0.000 1.127 169 R CA 2.650 58.842 56.100 0.152 0.000 0.968 169 R CB -0.674 29.676 30.300 0.085 0.000 0.861 169 R HN 0.659 nan 8.270 nan 0.000 0.440 170 D N -0.525 120.017 120.400 0.237 0.000 2.123 170 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 170 D C 1.864 178.377 176.300 0.354 0.000 0.976 170 D CA 1.243 55.408 54.000 0.274 0.000 0.831 170 D CB 0.005 40.965 40.800 0.266 0.000 0.974 170 D HN 0.305 nan 8.370 nan 0.000 0.469 171 L N -0.410 121.058 121.223 0.408 0.000 2.056 171 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 171 L C 2.332 179.501 176.870 0.500 0.000 1.078 171 L CA 1.119 56.243 54.840 0.473 0.000 0.749 171 L CB -0.725 41.579 42.059 0.409 0.000 0.901 171 L HN 0.181 nan 8.230 nan 0.000 0.433 172 Y N 1.763 122.237 120.300 0.291 0.000 2.040 172 Y HA -0.356 4.194 4.550 -0.000 0.000 0.275 172 Y C 2.477 178.566 175.900 0.314 0.000 1.171 172 Y CA 2.083 60.355 58.100 0.287 0.000 1.123 172 Y CB -0.453 38.076 38.460 0.116 0.000 0.963 172 Y HN 0.210 nan 8.280 nan 0.000 0.493 173 N N 0.495 119.284 118.700 0.149 0.000 2.205 173 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 173 N C 1.583 177.089 175.510 -0.007 0.000 1.015 173 N CA 1.872 54.920 53.050 -0.002 0.000 0.862 173 N CB -0.277 38.291 38.487 0.136 0.000 0.986 173 N HN 0.535 nan 8.380 nan 0.000 0.429 174 K N -1.213 119.240 120.400 0.088 0.000 2.262 174 K HA 0.102 4.422 4.320 -0.000 0.000 0.200 174 K C 0.931 177.371 176.600 -0.267 0.000 1.049 174 K CA 0.605 56.854 56.287 -0.063 0.000 0.979 174 K CB 0.155 32.640 32.500 -0.026 0.000 0.773 174 K HN 0.136 nan 8.250 nan 0.000 0.474 175 F N -1.764 118.166 119.950 -0.035 0.000 2.680 175 F HA 0.203 4.730 4.527 -0.000 0.000 0.290 175 F C 1.297 176.847 175.800 -0.417 0.000 1.114 175 F CA 0.080 57.946 58.000 -0.223 0.000 1.333 175 F CB 0.462 39.296 39.000 -0.276 0.000 1.091 175 F HN -0.138 nan 8.300 nan 0.000 0.606 176 F N -1.127 118.842 119.950 0.030 0.000 2.537 176 F HA 0.254 4.781 4.527 -0.000 0.000 0.275 176 F C 2.351 178.086 175.800 -0.110 0.000 0.947 176 F CA 0.074 58.060 58.000 -0.024 0.000 1.238 176 F CB -0.505 38.484 39.000 -0.019 0.000 1.071 176 F HN -0.430 nan 8.300 nan 0.000 0.749 177 R N 0.800 121.147 120.500 -0.255 0.000 2.083 177 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 177 R C 2.273 178.563 176.300 -0.016 0.000 1.137 177 R CA 1.797 57.737 56.100 -0.266 0.000 0.951 177 R CB -0.934 29.080 30.300 -0.476 0.000 0.851 177 R HN 0.427 nan 8.270 nan 0.000 0.434 178 G N -0.767 108.026 108.800 -0.011 0.000 2.402 178 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.216 178 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.216 178 G C 1.290 176.229 174.900 0.065 0.000 1.162 178 G CA 0.625 45.736 45.100 0.019 0.000 0.777 178 G HN 0.451 nan 8.290 nan 0.000 0.539 179 Y N 1.764 122.058 120.300 -0.011 0.000 2.114 179 Y HA -0.154 4.396 4.550 -0.000 0.000 0.284 179 Y C 3.180 179.129 175.900 0.082 0.000 1.143 179 Y CA 2.347 60.456 58.100 0.015 0.000 1.135 179 Y CB -0.320 38.132 38.460 -0.012 0.000 0.980 179 Y HN 0.199 nan 8.280 nan 0.000 0.499 180 T N 0.779 115.580 114.554 0.413 0.000 2.652 180 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 180 T C 1.862 176.759 174.700 0.329 0.000 1.039 180 T CA 1.899 64.282 62.100 0.472 0.000 1.153 180 T CB -0.311 68.817 68.868 0.433 0.000 0.863 180 T HN 0.332 nan 8.240 nan 0.000 0.428 181 R N 0.717 121.331 120.500 0.190 0.000 2.117 181 R HA -0.104 4.236 4.340 -0.000 0.000 0.243 181 R C 2.548 178.885 176.300 0.062 0.000 1.143 181 R CA 1.485 57.662 56.100 0.127 0.000 0.968 181 R CB -0.190 30.158 30.300 0.079 0.000 0.863 181 R HN 0.360 nan 8.270 nan 0.000 0.444 182 K N 0.503 120.888 120.400 -0.025 0.000 2.076 182 K HA -0.197 4.123 4.320 -0.000 0.000 0.204 182 K C 2.215 178.701 176.600 -0.190 0.000 1.051 182 K CA 1.329 57.545 56.287 -0.118 0.000 0.949 182 K CB 0.107 32.490 32.500 -0.195 0.000 0.726 182 K HN -0.075 nan 8.250 nan 0.000 0.443 183 Q N -0.362 119.259 119.800 -0.298 0.000 2.046 183 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 183 Q C 1.124 176.809 176.000 -0.526 0.000 0.975 183 Q CA 2.050 57.536 55.803 -0.528 0.000 0.836 183 Q CB -0.200 28.110 28.738 -0.714 0.000 0.896 183 Q HN 0.460 nan 8.270 nan 0.000 0.428 184 W N -1.342 119.912 121.300 -0.077 0.000 2.907 184 W HA 0.434 5.094 4.660 -0.000 0.000 0.271 184 W C 1.161 177.672 176.519 -0.013 0.000 1.253 184 W CA 0.230 57.549 57.345 -0.043 0.000 1.501 184 W CB 0.244 29.702 29.460 -0.004 0.000 1.047 184 W HN 0.284 nan 8.180 nan 0.000 0.610 185 G N 0.692 109.599 108.800 0.179 0.000 2.143 185 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 185 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 185 G C -0.653 174.331 174.900 0.141 0.000 0.991 185 G CA -0.066 45.108 45.100 0.122 0.000 0.689 185 G HN 0.062 nan 8.290 nan 0.000 0.522 186 L N -0.155 121.181 121.223 0.188 0.000 2.388 186 L HA 0.625 4.965 4.340 -0.000 0.000 0.264 186 L C 0.050 177.001 176.870 0.134 0.000 0.998 186 L CA -1.346 53.576 54.840 0.137 0.000 0.817 186 L CB 1.768 43.894 42.059 0.112 0.000 1.338 186 L HN 0.206 nan 8.230 nan 0.000 0.414 187 D N 2.581 123.043 120.400 0.104 0.000 2.399 187 D HA 0.173 4.813 4.640 -0.000 0.000 0.241 187 D C -1.628 174.741 176.300 0.116 0.000 1.133 187 D CA -0.849 53.223 54.000 0.119 0.000 0.890 187 D CB 1.320 42.184 40.800 0.105 0.000 1.201 187 D HN 0.301 nan 8.370 nan 0.000 0.432 188 P HA -0.149 nan 4.420 nan 0.000 0.221 188 P C 0.917 178.266 177.300 0.082 0.000 1.145 188 P CA 1.092 64.287 63.100 0.159 0.000 0.795 188 P CB 0.014 31.912 31.700 0.330 0.000 0.775 189 S N -0.824 114.924 115.700 0.081 0.000 2.453 189 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 189 S C 1.482 176.088 174.600 0.010 0.000 1.005 189 S CA 0.810 59.027 58.200 0.028 0.000 0.949 189 S CB -0.885 62.332 63.200 0.029 0.000 0.774 189 S HN 0.265 nan 8.310 nan 0.000 0.510 190 E N 0.620 120.830 120.200 0.016 0.000 2.437 190 E HA 0.343 4.693 4.350 -0.000 0.000 0.189 190 E C -0.437 176.138 176.600 -0.041 0.000 1.054 190 E CA -0.084 56.316 56.400 0.000 0.000 0.874 190 E CB 0.130 29.843 29.700 0.022 0.000 1.011 190 E HN 0.531 nan 8.360 nan 0.000 0.474 191 L N 0.309 121.490 121.223 -0.070 0.000 2.354 191 L HA 0.360 4.700 4.340 -0.000 0.000 0.264 191 L C -0.197 176.610 176.870 -0.104 0.000 1.008 191 L CA -1.249 53.502 54.840 -0.148 0.000 0.819 191 L CB 1.878 43.766 42.059 -0.285 0.000 1.339 191 L HN -0.125 nan 8.230 nan 0.000 0.420 192 D N 0.639 120.974 120.400 -0.109 0.000 2.400 192 D HA 0.174 4.814 4.640 -0.000 0.000 0.238 192 D C 1.016 177.281 176.300 -0.059 0.000 1.157 192 D CA 0.639 54.600 54.000 -0.066 0.000 0.889 192 D CB 1.596 42.367 40.800 -0.050 0.000 1.199 192 D HN 0.617 nan 8.370 nan 0.000 0.436 193 A N 2.200 124.994 122.820 -0.044 0.000 1.986 193 A HA -0.224 4.095 4.320 -0.000 0.000 0.220 193 A C 2.140 179.705 177.584 -0.031 0.000 1.171 193 A CA 2.226 54.237 52.037 -0.043 0.000 0.640 193 A CB -1.074 17.900 19.000 -0.045 0.000 0.811 193 A HN 0.654 nan 8.150 nan 0.000 0.451 194 S N -0.498 115.190 115.700 -0.020 0.000 2.442 194 S HA -0.102 4.367 4.470 -0.000 0.000 0.236 194 S C 1.658 176.269 174.600 0.019 0.000 1.007 194 S CA 1.345 59.543 58.200 -0.003 0.000 0.965 194 S CB -0.805 62.401 63.200 0.010 0.000 0.773 194 S HN 0.286 nan 8.310 nan 0.000 0.504 195 V N 2.787 122.719 119.914 0.029 0.000 2.255 195 V HA -0.120 3.999 4.120 -0.000 0.000 0.243 195 V C 3.134 179.328 176.094 0.166 0.000 1.038 195 V CA 2.113 64.483 62.300 0.116 0.000 1.008 195 V CB -1.564 30.238 31.823 -0.035 0.000 0.645 195 V HN 0.844 nan 8.190 nan 0.000 0.449 196 T N -1.405 113.222 114.554 0.121 0.000 3.067 196 T HA 0.140 4.490 4.350 -0.000 0.000 0.261 196 T C 1.680 176.410 174.700 0.050 0.000 1.110 196 T CA 0.883 63.080 62.100 0.162 0.000 1.113 196 T CB -0.137 68.795 68.868 0.106 0.000 0.917 196 T HN 0.409 nan 8.240 nan 0.000 0.499 197 A N 1.541 124.358 122.820 -0.006 0.000 2.216 197 A HA 0.138 4.457 4.320 -0.000 0.000 0.214 197 A C 2.429 179.996 177.584 -0.028 0.000 1.160 197 A CA 0.439 52.451 52.037 -0.042 0.000 0.725 197 A CB -0.619 18.352 19.000 -0.048 0.000 0.784 197 A HN 0.502 nan 8.150 nan 0.000 0.472 198 R N -0.865 119.635 120.500 -0.000 0.000 2.115 198 R HA 0.002 4.342 4.340 -0.000 0.000 0.230 198 R C -0.107 176.156 176.300 -0.061 0.000 1.111 198 R CA 0.813 56.898 56.100 -0.025 0.000 0.976 198 R CB -0.110 30.176 30.300 -0.022 0.000 0.870 198 R HN 0.303 nan 8.270 nan 0.000 0.445 199 V N 4.360 124.263 119.914 -0.018 0.000 2.334 199 V HA 0.175 4.295 4.120 -0.000 0.000 0.267 199 V C -1.902 174.154 176.094 -0.064 0.000 1.040 199 V CA -1.816 60.430 62.300 -0.090 0.000 0.866 199 V CB 1.037 32.887 31.823 0.046 0.000 1.019 199 V HN 0.109 nan 8.190 nan 0.000 0.468 200 P HA 0.195 nan 4.420 nan 0.000 0.272 200 P C -0.239 176.994 177.300 -0.110 0.000 1.230 200 P CA -0.027 63.000 63.100 -0.121 0.000 0.788 200 P CB 0.723 32.340 31.700 -0.138 0.000 0.949 201 T N -0.286 114.196 114.554 -0.120 0.000 2.823 201 T HA 0.628 4.978 4.350 -0.000 0.000 0.279 201 T C -0.061 174.581 174.700 -0.096 0.000 0.998 201 T CA -0.901 61.113 62.100 -0.143 0.000 0.994 201 T CB 1.301 70.014 68.868 -0.258 0.000 0.960 201 T HN 0.320 nan 8.240 nan 0.000 0.448 202 R N 1.255 121.730 120.500 -0.041 0.000 2.803 202 R HA 0.617 4.957 4.340 -0.000 0.000 0.276 202 R C 1.070 177.444 176.300 0.124 0.000 0.978 202 R CA -0.738 55.366 56.100 0.006 0.000 0.939 202 R CB 1.706 31.980 30.300 -0.043 0.000 1.179 202 R HN 0.905 nan 8.270 nan 0.000 0.472 203 T N -3.174 111.424 114.554 0.073 0.000 3.001 203 T HA 0.025 4.375 4.350 -0.000 0.000 0.251 203 T C 0.723 175.385 174.700 -0.065 0.000 1.040 203 T CA -0.258 61.871 62.100 0.049 0.000 0.985 203 T CB -0.193 68.693 68.868 0.030 0.000 1.011 203 T HN 0.573 nan 8.240 nan 0.000 0.509 204 N N 2.029 120.685 118.700 -0.072 0.000 2.443 204 N HA 0.224 4.963 4.740 -0.000 0.000 0.294 204 N C 0.308 175.767 175.510 -0.086 0.000 1.289 204 N CA -0.904 52.084 53.050 -0.102 0.000 0.966 204 N CB 0.371 38.799 38.487 -0.098 0.000 1.122 204 N HN 0.125 nan 8.380 nan 0.000 0.569 205 R N -1.602 118.847 120.500 -0.086 0.000 2.586 205 R HA 0.201 4.541 4.340 -0.000 0.000 0.336 205 R C -0.743 175.512 176.300 -0.075 0.000 1.060 205 R CA -0.480 55.574 56.100 -0.078 0.000 1.079 205 R CB -0.182 30.074 30.300 -0.074 0.000 1.317 205 R HN 0.533 nan 8.270 nan 0.000 0.568 206 D N 2.043 122.396 120.400 -0.078 0.000 2.371 206 D HA -0.030 4.610 4.640 -0.000 0.000 0.256 206 D C 0.455 176.701 176.300 -0.091 0.000 1.193 206 D CA 0.185 54.136 54.000 -0.082 0.000 0.881 206 D CB 0.783 41.532 40.800 -0.085 0.000 1.143 206 D HN 0.216 nan 8.370 nan 0.000 0.473 207 N N 2.771 121.418 118.700 -0.090 0.000 2.187 207 N HA 0.018 4.758 4.740 -0.000 0.000 0.212 207 N C 0.127 175.573 175.510 -0.106 0.000 1.152 207 N CA -0.353 52.639 53.050 -0.096 0.000 0.872 207 N CB 0.096 38.530 38.487 -0.088 0.000 1.025 207 N HN 0.132 nan 8.380 nan 0.000 0.514 208 R N -0.151 120.285 120.500 -0.108 0.000 2.679 208 R HA 0.030 4.370 4.340 -0.000 0.000 0.268 208 R C 0.364 176.573 176.300 -0.152 0.000 1.044 208 R CA -0.168 55.864 56.100 -0.113 0.000 1.105 208 R CB 0.363 30.610 30.300 -0.087 0.000 0.989 208 R HN 0.095 nan 8.270 nan 0.000 0.447 209 Y N 1.300 121.363 120.300 -0.396 0.000 2.420 209 Y HA 0.133 4.683 4.550 -0.000 0.000 0.292 209 Y C -0.340 175.025 175.900 -0.891 0.000 1.119 209 Y CA 0.786 58.476 58.100 -0.684 0.000 1.229 209 Y CB 0.487 38.411 38.460 -0.893 0.000 1.026 209 Y HN 0.360 nan 8.280 nan 0.000 0.554 210 F N -1.749 118.142 119.950 -0.099 0.000 2.551 210 F HA 0.581 5.107 4.527 -0.000 0.000 0.316 210 F C 0.521 176.234 175.800 -0.147 0.000 1.089 210 F CA -0.782 57.094 58.000 -0.206 0.000 0.915 210 F CB 1.597 40.406 39.000 -0.319 0.000 1.186 210 F HN -0.231 nan 8.300 nan 0.000 0.456 211 A N 0.516 123.357 122.820 0.035 0.000 2.465 211 A HA 0.286 4.606 4.320 -0.000 0.000 0.255 211 A C -0.301 177.265 177.584 -0.031 0.000 1.274 211 A CA -0.357 51.666 52.037 -0.023 0.000 0.920 211 A CB -0.651 18.315 19.000 -0.056 0.000 1.033 211 A HN 0.660 nan 8.150 nan 0.000 0.516 212 D N -0.020 120.382 120.400 0.003 0.000 2.382 212 D HA 0.203 4.842 4.640 -0.000 0.000 0.240 212 D C 1.299 177.510 176.300 -0.148 0.000 1.146 212 D CA 0.476 54.450 54.000 -0.044 0.000 0.897 212 D CB 0.652 41.455 40.800 0.006 0.000 1.197 212 D HN 0.098 nan 8.370 nan 0.000 0.432 213 T N 0.368 114.766 114.554 -0.259 0.000 2.674 213 T HA -0.168 4.182 4.350 -0.000 0.000 0.265 213 T C 0.408 174.675 174.700 -0.721 0.000 1.039 213 T CA 1.312 63.076 62.100 -0.559 0.000 1.150 213 T CB -0.323 68.031 68.868 -0.857 0.000 0.864 213 T HN 0.370 nan 8.240 nan 0.000 0.427 214 Y N 1.766 121.890 120.300 -0.295 0.000 2.417 214 Y HA 0.495 5.045 4.550 -0.000 0.000 0.336 214 Y C 0.160 175.898 175.900 -0.269 0.000 0.961 214 Y CA -0.927 56.879 58.100 -0.491 0.000 1.215 214 Y CB 0.539 38.469 38.460 -0.884 0.000 1.120 214 Y HN 0.067 nan 8.280 nan 0.000 0.499 215 Q N 3.019 122.783 119.800 -0.060 0.000 2.320 215 Q HA 0.846 5.186 4.340 -0.000 0.000 0.268 215 Q C -1.109 175.007 176.000 0.193 0.000 1.023 215 Q CA -0.849 55.007 55.803 0.089 0.000 0.744 215 Q CB 2.248 31.027 28.738 0.069 0.000 1.246 215 Q HN 0.771 nan 8.270 nan 0.000 0.462 216 A N 2.746 125.789 122.820 0.372 0.000 2.605 216 A HA 0.709 5.029 4.320 -0.000 0.000 0.294 216 A C -1.427 176.555 177.584 0.662 0.000 1.062 216 A CA -0.778 51.549 52.037 0.484 0.000 0.682 216 A CB 1.483 20.748 19.000 0.441 0.000 1.278 216 A HN 0.523 nan 8.150 nan 0.000 0.410 217 M N 1.336 121.262 119.600 0.544 0.000 2.318 217 M HA 0.377 4.857 4.480 -0.000 0.000 0.347 217 M C -2.527 173.876 176.300 0.172 0.000 1.175 217 M CA -2.554 52.953 55.300 0.345 0.000 1.075 217 M CB 0.629 33.339 32.600 0.183 0.000 1.614 217 M HN 0.265 nan 8.290 nan 0.000 0.456 218 P HA -0.019 nan 4.420 nan 0.000 0.261 218 P C 0.953 178.016 177.300 -0.394 0.000 1.203 218 P CA -0.090 62.676 63.100 -0.556 0.000 0.767 218 P CB 0.153 31.425 31.700 -0.714 0.000 0.785 219 L N 4.580 125.553 121.223 -0.416 0.000 2.103 219 L HA -0.218 4.122 4.340 -0.000 0.000 0.215 219 L C 1.232 177.770 176.870 -0.553 0.000 1.080 219 L CA 2.174 56.743 54.840 -0.453 0.000 0.764 219 L CB -0.818 40.897 42.059 -0.574 0.000 0.890 219 L HN 0.495 nan 8.230 nan 0.000 0.435 220 H N -1.050 117.918 119.070 -0.170 0.000 2.512 220 H HA 0.550 5.106 4.556 -0.000 0.000 0.276 220 H C 0.861 176.103 175.328 -0.145 0.000 1.126 220 H CA 0.402 56.380 56.048 -0.115 0.000 1.060 220 H CB -0.164 29.548 29.762 -0.083 0.000 1.646 220 H HN 0.326 nan 8.280 nan 0.000 0.571 221 G N -0.034 108.670 108.800 -0.159 0.000 2.663 221 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.686 221 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.686 221 G C 0.005 174.760 174.900 -0.242 0.000 1.288 221 G CA -0.506 44.472 45.100 -0.203 0.000 0.836 221 G HN 0.222 nan 8.290 nan 0.000 0.584 222 Y N 0.183 120.444 120.300 -0.064 0.000 2.220 222 Y HA -0.046 4.504 4.550 -0.000 0.000 0.291 222 Y C 3.403 179.385 175.900 0.136 0.000 1.129 222 Y CA 2.282 60.395 58.100 0.022 0.000 1.161 222 Y CB -0.384 38.125 38.460 0.082 0.000 0.997 222 Y HN 0.637 nan 8.280 nan 0.000 0.522 223 T N 0.172 114.839 114.554 0.188 0.000 2.720 223 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 223 T C 1.995 176.771 174.700 0.127 0.000 1.037 223 T CA 1.281 63.477 62.100 0.159 0.000 1.144 223 T CB -0.148 68.730 68.868 0.018 0.000 0.864 223 T HN 0.193 nan 8.240 nan 0.000 0.444 224 R N 0.696 121.222 120.500 0.044 0.000 2.081 224 R HA 0.040 4.380 4.340 -0.000 0.000 0.235 224 R C 2.429 178.712 176.300 -0.028 0.000 1.131 224 R CA 1.097 57.202 56.100 0.007 0.000 0.960 224 R CB -0.838 29.461 30.300 -0.000 0.000 0.856 224 R HN 0.459 nan 8.270 nan 0.000 0.436 225 M N -0.370 119.182 119.600 -0.080 0.000 2.117 225 M HA -0.140 4.340 4.480 -0.000 0.000 0.262 225 M C 1.681 177.829 176.300 -0.252 0.000 1.065 225 M CA 1.698 56.878 55.300 -0.199 0.000 1.114 225 M CB -0.119 32.284 32.600 -0.328 0.000 1.361 225 M HN -0.028 nan 8.290 nan 0.000 0.408 226 F N 0.722 120.571 119.950 -0.168 0.000 2.186 226 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 226 F C 2.526 178.221 175.800 -0.175 0.000 1.090 226 F CA 1.621 59.492 58.000 -0.214 0.000 1.307 226 F CB -0.484 38.400 39.000 -0.194 0.000 1.019 226 F HN 0.229 nan 8.300 nan 0.000 0.489 227 Q N 0.081 119.920 119.800 0.065 0.000 2.096 227 Q HA -0.215 4.124 4.340 -0.000 0.000 0.204 227 Q C 1.941 177.925 176.000 -0.027 0.000 0.982 227 Q CA 1.625 57.438 55.803 0.017 0.000 0.850 227 Q CB -0.253 28.498 28.738 0.021 0.000 0.901 227 Q HN 0.319 nan 8.270 nan 0.000 0.422 228 N N 0.047 118.722 118.700 -0.041 0.000 2.223 228 N HA -0.156 4.584 4.740 -0.000 0.000 0.185 228 N C 1.491 176.962 175.510 -0.066 0.000 1.016 228 N CA 1.115 54.159 53.050 -0.010 0.000 0.863 228 N CB -0.137 38.380 38.487 0.051 0.000 0.983 228 N HN 0.275 nan 8.380 nan 0.000 0.429 229 M N -0.084 119.341 119.600 -0.291 0.000 2.254 229 M HA 0.035 4.515 4.480 -0.000 0.000 0.265 229 M C 0.662 176.791 176.300 -0.284 0.000 1.066 229 M CA 1.137 56.073 55.300 -0.607 0.000 1.123 229 M CB 0.250 32.372 32.600 -0.797 0.000 1.388 229 M HN -0.005 nan 8.290 nan 0.000 0.425 230 L N -0.669 120.469 121.223 -0.141 0.000 2.872 230 L HA 0.178 4.518 4.340 -0.000 0.000 0.245 230 L C 1.747 178.594 176.870 -0.038 0.000 1.211 230 L CA -0.219 54.575 54.840 -0.075 0.000 1.013 230 L CB -0.211 41.819 42.059 -0.048 0.000 1.326 230 L HN 0.267 nan 8.230 nan 0.000 0.525 231 S N -2.187 113.494 115.700 -0.031 0.000 2.496 231 S HA -0.028 4.442 4.470 -0.000 0.000 0.224 231 S C 1.146 175.750 174.600 0.006 0.000 0.996 231 S CA -0.092 58.104 58.200 -0.006 0.000 0.927 231 S CB 0.021 63.221 63.200 0.001 0.000 0.774 231 S HN 0.334 nan 8.310 nan 0.000 0.524 232 S N 2.896 118.601 115.700 0.010 0.000 2.558 232 S HA 0.200 4.670 4.470 -0.000 0.000 0.288 232 S C -1.572 173.046 174.600 0.029 0.000 1.318 232 S CA -1.018 57.196 58.200 0.022 0.000 1.056 232 S CB 0.609 63.825 63.200 0.027 0.000 0.853 232 S HN 0.147 nan 8.310 nan 0.000 0.505 233 P HA -0.027 nan 4.420 nan 0.000 0.221 233 P C 0.711 178.045 177.300 0.058 0.000 1.145 233 P CA 0.794 63.918 63.100 0.040 0.000 0.795 233 P CB 0.015 31.735 31.700 0.035 0.000 0.775 234 N N -0.624 118.113 118.700 0.062 0.000 2.512 234 N HA -0.001 4.739 4.740 -0.000 0.000 0.183 234 N C 0.492 176.067 175.510 0.109 0.000 1.073 234 N CA 0.623 53.724 53.050 0.087 0.000 0.911 234 N CB -0.195 38.342 38.487 0.084 0.000 0.964 234 N HN 0.268 nan 8.380 nan 0.000 0.447 235 I N 1.199 121.815 120.570 0.077 0.000 2.354 235 I HA 0.197 4.367 4.170 -0.000 0.000 0.292 235 I C -0.229 175.925 176.117 0.061 0.000 0.989 235 I CA -0.846 60.492 61.300 0.062 0.000 1.188 235 I CB 1.325 39.334 38.000 0.015 0.000 1.342 235 I HN -0.380 nan 8.210 nan 0.000 0.457 236 K N 6.120 126.558 120.400 0.064 0.000 2.235 236 K HA 0.509 4.829 4.320 -0.000 0.000 0.266 236 K C -0.777 175.794 176.600 -0.048 0.000 0.980 236 K CA -0.706 55.605 56.287 0.040 0.000 0.849 236 K CB 2.285 34.858 32.500 0.122 0.000 1.098 236 K HN 0.266 nan 8.250 nan 0.000 0.445 237 V N 4.374 124.265 119.914 -0.039 0.000 2.370 237 V HA 0.398 4.517 4.120 -0.000 0.000 0.279 237 V C -0.006 176.045 176.094 -0.071 0.000 1.029 237 V CA -0.661 61.598 62.300 -0.068 0.000 0.870 237 V CB 1.306 33.096 31.823 -0.055 0.000 0.984 237 V HN 0.699 nan 8.190 nan 0.000 0.451 238 M N 6.503 126.043 119.600 -0.101 0.000 2.181 238 M HA 0.593 5.073 4.480 -0.000 0.000 0.323 238 M C -1.498 174.742 176.300 -0.100 0.000 1.004 238 M CA -0.335 54.912 55.300 -0.088 0.000 0.941 238 M CB 1.135 33.675 32.600 -0.101 0.000 1.579 238 M HN 0.505 nan 8.290 nan 0.000 0.427 239 L N 3.575 124.747 121.223 -0.085 0.000 2.322 239 L HA 0.505 4.845 4.340 -0.000 0.000 0.269 239 L C 0.543 177.362 176.870 -0.086 0.000 1.012 239 L CA -0.857 53.919 54.840 -0.107 0.000 0.815 239 L CB 1.589 43.583 42.059 -0.108 0.000 1.295 239 L HN 0.942 nan 8.230 nan 0.000 0.438 240 N N 0.101 118.738 118.700 -0.105 0.000 2.776 240 N HA -0.159 4.581 4.740 -0.000 0.000 0.249 240 N C -1.033 174.443 175.510 -0.055 0.000 1.111 240 N CA 1.046 54.050 53.050 -0.075 0.000 0.711 240 N CB -0.621 37.836 38.487 -0.050 0.000 1.065 240 N HN 0.781 nan 8.380 nan 0.000 0.556 241 T N 0.224 114.738 114.554 -0.065 0.000 2.965 241 T HA 0.133 4.482 4.350 -0.000 0.000 0.306 241 T C -1.108 173.565 174.700 -0.045 0.000 0.991 241 T CA -0.756 61.315 62.100 -0.049 0.000 1.001 241 T CB 1.514 70.353 68.868 -0.048 0.000 0.984 241 T HN 0.142 nan 8.240 nan 0.000 0.446 242 D N 1.915 122.291 120.400 -0.040 0.000 2.390 242 D HA 0.022 4.662 4.640 -0.000 0.000 0.249 242 D C 1.233 177.496 176.300 -0.061 0.000 1.144 242 D CA -0.337 53.646 54.000 -0.029 0.000 0.880 242 D CB 0.767 41.529 40.800 -0.064 0.000 1.182 242 D HN 0.717 nan 8.370 nan 0.000 0.451 243 Y N 3.729 123.981 120.300 -0.080 0.000 2.315 243 Y HA -0.146 4.403 4.550 -0.000 0.000 0.288 243 Y C 1.947 177.777 175.900 -0.115 0.000 1.154 243 Y CA 0.954 58.985 58.100 -0.116 0.000 1.229 243 Y CB -0.236 38.164 38.460 -0.098 0.000 0.980 243 Y HN 0.305 nan 8.280 nan 0.000 0.540 244 R N 0.874 120.855 120.500 -0.866 0.000 2.189 244 R HA -0.097 4.243 4.340 -0.000 0.000 0.223 244 R C 1.735 177.855 176.300 -0.301 0.000 1.092 244 R CA 1.431 57.133 56.100 -0.663 0.000 0.989 244 R CB -0.274 29.645 30.300 -0.635 0.000 0.876 244 R HN 0.610 nan 8.270 nan 0.000 0.457 245 E N 0.403 120.476 120.200 -0.211 0.000 2.478 245 E HA -0.108 4.241 4.350 -0.000 0.000 0.198 245 E C 1.519 178.047 176.600 -0.120 0.000 1.046 245 E CA 0.971 57.318 56.400 -0.087 0.000 0.870 245 E CB 0.173 29.852 29.700 -0.035 0.000 0.818 245 E HN 0.543 nan 8.360 nan 0.000 0.527 246 I N -5.249 115.133 120.570 -0.315 0.000 4.916 246 I HA 0.338 4.508 4.170 -0.000 0.000 0.335 246 I C 1.901 177.613 176.117 -0.675 0.000 1.274 246 I CA -0.097 60.766 61.300 -0.729 0.000 1.365 246 I CB 0.382 38.133 38.000 -0.415 0.000 1.395 246 I HN -0.157 nan 8.210 nan 0.000 0.485 247 A N 1.093 123.747 122.820 -0.276 0.000 2.259 247 A HA -0.101 4.219 4.320 -0.000 0.000 0.212 247 A C 1.559 179.148 177.584 0.009 0.000 1.178 247 A CA 1.739 53.781 52.037 0.009 0.000 0.734 247 A CB -0.685 18.396 19.000 0.135 0.000 0.774 247 A HN 0.469 nan 8.150 nan 0.000 0.481 248 D N -1.074 119.231 120.400 -0.159 0.000 2.271 248 D HA 0.040 4.680 4.640 -0.000 0.000 0.206 248 D C 1.082 177.430 176.300 0.080 0.000 0.967 248 D CA 1.223 55.218 54.000 -0.008 0.000 0.867 248 D CB -0.020 40.836 40.800 0.093 0.000 0.960 248 D HN 0.711 nan 8.370 nan 0.000 0.509 249 F N -1.489 118.511 119.950 0.085 0.000 2.798 249 F HA 0.421 4.948 4.527 -0.000 0.000 0.328 249 F C 0.289 176.159 175.800 0.116 0.000 1.098 249 F CA -0.623 57.422 58.000 0.076 0.000 1.172 249 F CB 0.036 39.066 39.000 0.052 0.000 1.072 249 F HN -0.318 nan 8.300 nan 0.000 0.555 250 I N 4.038 124.602 120.570 -0.011 0.000 2.315 250 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 250 I C -2.379 173.925 176.117 0.311 0.000 1.006 250 I CA -2.073 59.342 61.300 0.191 0.000 1.265 250 I CB 1.180 39.255 38.000 0.125 0.000 1.387 250 I HN -0.202 nan 8.210 nan 0.000 0.475 251 P HA 0.232 nan 4.420 nan 0.000 0.276 251 P C -1.112 176.396 177.300 0.347 0.000 1.235 251 P CA 0.089 63.286 63.100 0.162 0.000 0.772 251 P CB 0.261 32.014 31.700 0.088 0.000 0.871 252 F N -0.308 119.705 119.950 0.106 0.000 2.641 252 F HA 0.458 4.985 4.527 -0.000 0.000 0.308 252 F C 0.733 176.555 175.800 0.036 0.000 1.105 252 F CA -0.957 57.109 58.000 0.110 0.000 0.964 252 F CB 0.887 39.956 39.000 0.114 0.000 1.294 252 F HN 0.012 nan 8.300 nan 0.000 0.442 253 Q N 0.861 120.739 119.800 0.130 0.000 2.062 253 Q HA 0.024 4.363 4.340 -0.000 0.000 0.196 253 Q C -0.251 175.799 176.000 0.083 0.000 0.967 253 Q CA 1.599 57.410 55.803 0.013 0.000 0.832 253 Q CB -0.099 28.614 28.738 -0.042 0.000 0.899 253 Q HN 0.874 nan 8.270 nan 0.000 0.442 254 H N -1.527 117.548 119.070 0.009 0.000 2.821 254 H HA 0.560 5.116 4.556 -0.000 0.000 0.373 254 H C -1.348 174.119 175.328 0.233 0.000 1.165 254 H CA -0.555 55.524 56.048 0.051 0.000 1.154 254 H CB 1.668 31.310 29.762 -0.199 0.000 1.765 254 H HN -0.017 nan 8.280 nan 0.000 0.549 255 M N 5.084 124.659 119.600 -0.042 0.000 2.393 255 M HA 0.475 4.955 4.480 -0.000 0.000 0.316 255 M C -1.666 174.637 176.300 0.006 0.000 1.087 255 M CA -0.730 54.557 55.300 -0.021 0.000 0.937 255 M CB 1.116 33.651 32.600 -0.109 0.000 1.668 255 M HN 0.578 nan 8.290 nan 0.000 0.438 256 I N 4.991 125.572 120.570 0.018 0.000 2.354 256 I HA 0.266 4.436 4.170 -0.000 0.000 0.286 256 I C -1.510 174.488 176.117 -0.200 0.000 1.007 256 I CA -0.691 60.584 61.300 -0.042 0.000 1.167 256 I CB 1.092 39.102 38.000 0.016 0.000 1.320 256 I HN 0.625 nan 8.210 nan 0.000 0.458 257 Y N 5.725 125.720 120.300 -0.508 0.000 2.341 257 Y HA 0.362 4.912 4.550 -0.000 0.000 0.337 257 Y C 0.950 176.623 175.900 -0.378 0.000 1.014 257 Y CA -0.449 57.288 58.100 -0.605 0.000 1.111 257 Y CB 1.683 39.496 38.460 -1.078 0.000 1.194 257 Y HN 0.621 nan 8.280 nan 0.000 0.462 258 T N 1.089 115.104 114.554 -0.898 0.000 3.111 258 T HA 0.405 4.755 4.350 -0.000 0.000 0.284 258 T C 0.622 174.934 174.700 -0.648 0.000 0.983 258 T CA 0.164 61.934 62.100 -0.549 0.000 0.900 258 T CB -0.404 68.287 68.868 -0.295 0.000 1.132 258 T HN 0.747 nan 8.240 nan 0.000 0.531 259 G N 2.137 110.161 108.800 -1.292 0.000 2.509 259 G HA2 0.607 4.567 3.960 -0.000 0.000 0.269 259 G HA3 0.607 4.567 3.960 -0.000 0.000 0.269 259 G C -2.874 171.914 174.900 -0.187 0.000 1.416 259 G CA -1.757 42.942 45.100 -0.668 0.000 1.052 259 G HN 0.199 nan 8.290 nan 0.000 0.542 260 P HA 0.157 nan 4.420 nan 0.000 0.271 260 P C 1.226 178.754 177.300 0.379 0.000 1.220 260 P CA -0.398 62.761 63.100 0.099 0.000 0.768 260 P CB 1.253 32.878 31.700 -0.125 0.000 0.848 261 V N 1.649 121.811 119.914 0.413 0.000 2.343 261 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 261 V C 1.833 177.940 176.094 0.022 0.000 1.051 261 V CA 2.278 64.778 62.300 0.333 0.000 1.036 261 V CB -1.567 30.459 31.823 0.339 0.000 0.654 261 V HN 0.465 nan 8.190 nan 0.000 0.451 262 D N 2.594 122.818 120.400 -0.294 0.000 2.104 262 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 262 D C 2.057 177.972 176.300 -0.643 0.000 0.994 262 D CA 2.047 55.612 54.000 -0.726 0.000 0.830 262 D CB -0.709 39.867 40.800 -0.374 0.000 0.959 262 D HN 0.540 nan 8.370 nan 0.000 0.452 263 A N -0.150 122.267 122.820 -0.673 0.000 2.019 263 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 263 A C 2.089 179.436 177.584 -0.396 0.000 1.164 263 A CA 1.158 52.657 52.037 -0.897 0.000 0.644 263 A CB -1.225 17.650 19.000 -0.208 0.000 0.805 263 A HN 0.297 nan 8.150 nan 0.000 0.449 264 F N -0.790 118.925 119.950 -0.393 0.000 2.186 264 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 264 F C 1.070 176.558 175.800 -0.520 0.000 1.090 264 F CA 1.138 58.792 58.000 -0.576 0.000 1.307 264 F CB -0.051 38.329 39.000 -1.034 0.000 1.019 264 F HN 0.181 nan 8.300 nan 0.000 0.489 265 F N 0.858 120.815 119.950 0.012 0.000 2.730 265 F HA 0.191 4.718 4.527 -0.000 0.000 0.295 265 F C 0.210 175.996 175.800 -0.023 0.000 1.143 265 F CA -0.386 57.646 58.000 0.054 0.000 1.367 265 F CB -0.456 38.751 39.000 0.345 0.000 0.970 265 F HN -0.127 nan 8.300 nan 0.000 0.514 266 D N -0.318 120.024 120.400 -0.096 0.000 2.837 266 D HA -0.281 4.359 4.640 -0.000 0.000 0.230 266 D C 0.166 176.567 176.300 0.170 0.000 1.152 266 D CA 0.853 54.828 54.000 -0.042 0.000 0.736 266 D CB -1.976 38.851 40.800 0.046 0.000 1.084 266 D HN 0.401 nan 8.370 nan 0.000 0.429 267 F N -2.931 117.186 119.950 0.278 0.000 3.079 267 F HA -0.383 4.144 4.527 -0.000 0.000 0.274 267 F C 2.333 178.300 175.800 0.279 0.000 0.940 267 F CA 0.579 58.777 58.000 0.330 0.000 0.932 267 F CB -2.653 36.469 39.000 0.203 0.000 0.891 267 F HN 0.471 nan 8.300 nan 0.000 0.722 268 C N -2.683 116.812 119.300 0.325 0.000 2.430 268 C HA -0.085 4.375 4.460 -0.000 0.000 0.288 268 C C 1.888 176.716 174.990 -0.271 0.000 1.448 268 C CA 0.798 59.807 59.018 -0.015 0.000 1.784 268 C CB -1.343 26.301 27.740 -0.160 0.000 1.776 268 C HN 0.573 nan 8.230 nan 0.000 0.547 269 Y N 1.812 122.153 120.300 0.068 0.000 2.531 269 Y HA 0.482 5.032 4.550 -0.000 0.000 0.249 269 Y C 1.454 177.433 175.900 0.133 0.000 1.168 269 Y CA 0.607 58.653 58.100 -0.091 0.000 1.226 269 Y CB -0.000 38.105 38.460 -0.592 0.000 1.177 269 Y HN 0.651 nan 8.280 nan 0.000 0.527 270 G N 0.756 109.801 108.800 0.410 0.000 2.612 270 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 270 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 270 G C -1.108 174.068 174.900 0.461 0.000 1.274 270 G CA -1.256 44.053 45.100 0.348 0.000 0.849 270 G HN 0.068 nan 8.290 nan 0.000 0.595 271 K N 0.066 120.641 120.400 0.291 0.000 2.412 271 K HA 0.424 4.744 4.320 -0.000 0.000 0.284 271 K C 0.657 177.417 176.600 0.267 0.000 1.046 271 K CA -0.231 56.224 56.287 0.280 0.000 0.999 271 K CB 0.328 32.871 32.500 0.072 0.000 0.941 271 K HN 0.562 nan 8.250 nan 0.000 0.474 272 L N 7.855 129.251 121.223 0.289 0.000 2.319 272 L HA 0.328 4.668 4.340 -0.000 0.000 0.280 272 L C -2.041 174.856 176.870 0.046 0.000 1.099 272 L CA -2.213 52.675 54.840 0.079 0.000 0.828 272 L CB 1.179 43.180 42.059 -0.096 0.000 1.150 272 L HN 0.611 nan 8.230 nan 0.000 0.442 273 P HA 0.086 nan 4.420 nan 0.000 0.267 273 P C -1.636 175.663 177.300 -0.001 0.000 1.209 273 P CA 0.511 63.664 63.100 0.089 0.000 0.763 273 P CB 0.166 31.938 31.700 0.120 0.000 0.816 274 Y N 1.755 122.209 120.300 0.257 0.000 2.406 274 Y HA 0.490 5.039 4.550 -0.000 0.000 0.340 274 Y C 0.771 176.784 175.900 0.189 0.000 0.975 274 Y CA -1.101 57.143 58.100 0.239 0.000 1.056 274 Y CB 1.932 40.510 38.460 0.196 0.000 1.210 274 Y HN 0.151 nan 8.280 nan 0.000 0.448 275 R N 1.431 122.147 120.500 0.360 0.000 2.441 275 R HA 0.537 4.877 4.340 -0.000 0.000 0.284 275 R C -0.248 176.222 176.300 0.283 0.000 1.070 275 R CA -0.002 56.240 56.100 0.237 0.000 1.047 275 R CB 1.145 31.484 30.300 0.065 0.000 1.016 275 R HN 0.682 nan 8.270 nan 0.000 0.477 276 S N 2.527 118.344 115.700 0.196 0.000 2.798 276 S HA 0.782 5.252 4.470 -0.000 0.000 0.312 276 S C -1.263 173.505 174.600 0.279 0.000 1.122 276 S CA -0.749 57.600 58.200 0.248 0.000 0.949 276 S CB 0.634 63.886 63.200 0.087 0.000 1.235 276 S HN 0.415 nan 8.310 nan 0.000 0.552 277 L N 1.201 122.625 121.223 0.336 0.000 2.466 277 L HA 0.564 4.904 4.340 -0.000 0.000 0.258 277 L C -0.828 175.885 176.870 -0.260 0.000 0.973 277 L CA -0.572 54.227 54.840 -0.067 0.000 0.826 277 L CB 2.211 44.054 42.059 -0.360 0.000 1.372 277 L HN 0.668 nan 8.230 nan 0.000 0.409 278 E N 1.579 121.610 120.200 -0.282 0.000 2.171 278 E HA 0.525 4.874 4.350 -0.000 0.000 0.271 278 E C -1.772 174.681 176.600 -0.244 0.000 0.916 278 E CA -0.584 55.690 56.400 -0.209 0.000 0.774 278 E CB 1.356 31.025 29.700 -0.052 0.000 1.128 278 E HN 0.331 nan 8.360 nan 0.000 0.403 279 F N 2.997 123.052 119.950 0.174 0.000 2.427 279 F HA 0.465 4.992 4.527 -0.000 0.000 0.346 279 F C 0.454 176.287 175.800 0.055 0.000 1.120 279 F CA -0.921 57.132 58.000 0.088 0.000 1.033 279 F CB 1.451 40.445 39.000 -0.010 0.000 1.126 279 F HN 0.213 nan 8.300 nan 0.000 0.462 280 R N 3.017 123.668 120.500 0.251 0.000 2.272 280 R HA 0.274 4.613 4.340 -0.000 0.000 0.323 280 R C -0.823 175.561 176.300 0.140 0.000 1.002 280 R CA -0.659 55.556 56.100 0.192 0.000 0.900 280 R CB 0.558 30.986 30.300 0.213 0.000 1.151 280 R HN 0.635 nan 8.270 nan 0.000 0.507 281 H N 2.208 121.400 119.070 0.204 0.000 2.610 281 H HA 0.223 4.779 4.556 -0.000 0.000 0.336 281 H C -0.108 175.283 175.328 0.105 0.000 1.087 281 H CA 0.217 56.361 56.048 0.161 0.000 1.405 281 H CB 1.486 31.308 29.762 0.101 0.000 1.460 281 H HN 0.490 nan 8.280 nan 0.000 0.538 282 E N 1.017 121.336 120.200 0.199 0.000 2.369 282 E HA 0.361 4.711 4.350 -0.000 0.000 0.270 282 E C -0.804 175.755 176.600 -0.069 0.000 0.909 282 E CA -0.887 55.527 56.400 0.023 0.000 0.775 282 E CB 2.311 32.008 29.700 -0.004 0.000 1.270 282 E HN 0.413 nan 8.360 nan 0.000 0.445 283 T N 1.259 115.683 114.554 -0.216 0.000 2.824 283 T HA 0.420 4.770 4.350 -0.000 0.000 0.282 283 T C -1.222 173.269 174.700 -0.348 0.000 0.993 283 T CA -0.723 61.260 62.100 -0.195 0.000 0.967 283 T CB 0.641 69.443 68.868 -0.110 0.000 0.960 283 T HN 0.337 nan 8.240 nan 0.000 0.441 284 H N 0.695 119.766 119.070 0.002 0.000 2.524 284 H HA 0.344 4.899 4.556 -0.000 0.000 0.353 284 H C -0.251 175.079 175.328 0.003 0.000 1.136 284 H CA -0.763 55.293 56.048 0.012 0.000 1.193 284 H CB 1.150 30.925 29.762 0.021 0.000 1.558 284 H HN 0.422 nan 8.280 nan 0.000 0.515 285 D N 1.647 122.132 120.400 0.142 0.000 2.982 285 D HA 0.050 4.690 4.640 -0.000 0.000 0.238 285 D C -0.429 175.941 176.300 0.116 0.000 1.168 285 D CA 0.430 54.498 54.000 0.113 0.000 0.947 285 D CB -0.249 40.621 40.800 0.117 0.000 1.147 285 D HN 0.436 nan 8.370 nan 0.000 0.450 286 T N -1.182 113.433 114.554 0.102 0.000 2.841 286 T HA 0.213 4.563 4.350 -0.000 0.000 0.296 286 T C 0.798 175.535 174.700 0.063 0.000 1.166 286 T CA -0.523 61.625 62.100 0.080 0.000 1.007 286 T CB 1.538 70.441 68.868 0.057 0.000 1.253 286 T HN -0.019 nan 8.240 nan 0.000 0.511 287 E N 0.271 120.504 120.200 0.055 0.000 2.230 287 E HA 0.070 4.420 4.350 -0.000 0.000 0.192 287 E C 0.396 177.005 176.600 0.016 0.000 0.987 287 E CA 0.436 56.862 56.400 0.043 0.000 0.841 287 E CB 0.411 30.137 29.700 0.043 0.000 0.783 287 E HN 0.463 nan 8.360 nan 0.000 0.481 288 Q N 0.003 119.815 119.800 0.020 0.000 2.378 288 Q HA 0.141 4.481 4.340 -0.000 0.000 0.262 288 Q C -0.811 175.205 176.000 0.027 0.000 0.978 288 Q CA -0.203 55.614 55.803 0.023 0.000 0.918 288 Q CB 1.482 30.229 28.738 0.015 0.000 1.415 288 Q HN 0.061 nan 8.270 nan 0.000 0.409 289 L N 3.281 124.524 121.223 0.032 0.000 2.467 289 L HA 0.439 4.779 4.340 -0.000 0.000 0.213 289 L C -0.494 176.369 176.870 -0.011 0.000 1.053 289 L CA 0.741 55.564 54.840 -0.027 0.000 0.847 289 L CB 0.805 42.810 42.059 -0.089 0.000 1.075 289 L HN 0.594 nan 8.230 nan 0.000 0.479 290 L N -0.504 120.740 121.223 0.035 0.000 2.333 290 L HA 0.374 4.713 4.340 -0.000 0.000 0.269 290 L C -1.635 175.226 176.870 -0.015 0.000 1.010 290 L CA -1.776 53.038 54.840 -0.044 0.000 0.818 290 L CB 1.221 43.176 42.059 -0.173 0.000 1.306 290 L HN -0.222 nan 8.230 nan 0.000 0.430 291 P HA -0.058 nan 4.420 nan 0.000 0.219 291 P C 0.262 177.474 177.300 -0.148 0.000 1.150 291 P CA 0.985 64.055 63.100 -0.050 0.000 0.814 291 P CB 0.193 31.852 31.700 -0.069 0.000 0.787 292 T N -6.130 108.191 114.554 -0.388 0.000 2.693 292 T HA 0.560 4.910 4.350 -0.000 0.000 0.278 292 T C 1.453 175.641 174.700 -0.853 0.000 0.994 292 T CA -0.175 61.607 62.100 -0.530 0.000 1.033 292 T CB 0.776 69.451 68.868 -0.321 0.000 1.342 292 T HN -0.063 nan 8.240 nan 0.000 0.538 293 G N 0.299 108.797 108.800 -0.502 0.000 2.421 293 G HA2 0.255 4.214 3.960 -0.000 0.000 0.216 293 G HA3 0.255 4.214 3.960 -0.000 0.000 0.216 293 G C 0.308 175.091 174.900 -0.194 0.000 1.171 293 G CA 0.909 45.877 45.100 -0.221 0.000 0.775 293 G HN 0.894 nan 8.290 nan 0.000 0.543 294 T N -0.682 113.728 114.554 -0.239 0.000 2.912 294 T HA 0.539 4.888 4.350 -0.000 0.000 0.299 294 T C -1.221 173.332 174.700 -0.245 0.000 1.052 294 T CA -0.478 61.513 62.100 -0.182 0.000 0.996 294 T CB 2.882 71.733 68.868 -0.029 0.000 1.070 294 T HN -0.041 nan 8.240 nan 0.000 0.465 295 V N 3.591 123.369 119.914 -0.226 0.000 2.409 295 V HA 0.460 4.579 4.120 -0.000 0.000 0.291 295 V C -0.442 175.478 176.094 -0.290 0.000 1.020 295 V CA -1.008 61.122 62.300 -0.283 0.000 0.848 295 V CB 1.703 33.344 31.823 -0.303 0.000 0.990 295 V HN 0.751 nan 8.190 nan 0.000 0.430 296 N N 2.852 121.374 118.700 -0.296 0.000 2.509 296 N HA 0.463 5.203 4.740 -0.000 0.000 0.287 296 N C -1.070 174.253 175.510 -0.311 0.000 1.121 296 N CA -0.228 52.738 53.050 -0.140 0.000 0.977 296 N CB 1.098 39.530 38.487 -0.092 0.000 1.167 296 N HN 0.586 nan 8.380 nan 0.000 0.476 297 Y N 0.905 121.308 120.300 0.172 0.000 2.837 297 Y HA 0.306 4.856 4.550 -0.000 0.000 0.356 297 Y C -1.540 174.424 175.900 0.106 0.000 1.035 297 Y CA -1.593 56.582 58.100 0.125 0.000 1.165 297 Y CB 1.494 40.060 38.460 0.177 0.000 1.147 297 Y HN 0.519 nan 8.280 nan 0.000 0.628 298 P HA -0.128 nan 4.420 nan 0.000 0.218 298 P C 0.363 177.693 177.300 0.050 0.000 1.148 298 P CA 1.621 64.819 63.100 0.163 0.000 0.822 298 P CB 0.403 32.090 31.700 -0.022 0.000 0.784 299 N N -1.416 117.291 118.700 0.013 0.000 2.241 299 N HA 0.121 4.861 4.740 -0.000 0.000 0.238 299 N C -0.502 174.967 175.510 -0.068 0.000 1.244 299 N CA 0.205 53.232 53.050 -0.038 0.000 0.880 299 N CB 0.923 39.367 38.487 -0.071 0.000 1.179 299 N HN 0.154 nan 8.380 nan 0.000 0.513 300 D N 0.218 120.590 120.400 -0.047 0.000 2.859 300 D HA 0.309 4.949 4.640 -0.000 0.000 0.223 300 D C -0.634 175.513 176.300 -0.255 0.000 1.218 300 D CA -0.107 53.758 54.000 -0.225 0.000 0.850 300 D CB 2.179 42.850 40.800 -0.215 0.000 1.656 300 D HN -0.151 nan 8.370 nan 0.000 0.484 301 Y N -0.613 119.467 120.300 -0.367 0.000 2.503 301 Y HA -0.279 4.271 4.550 -0.000 0.000 0.021 301 Y C 1.136 176.728 175.900 -0.513 0.000 1.699 301 Y CA 0.200 57.940 58.100 -0.600 0.000 1.421 301 Y CB -1.058 36.622 38.460 -1.300 0.000 2.066 301 Y HN 0.483 nan 8.280 nan 0.000 0.253 302 A N 0.386 123.041 122.820 -0.276 0.000 1.929 302 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 302 A C 0.383 177.833 177.584 -0.224 0.000 1.176 302 A CA 1.539 53.512 52.037 -0.105 0.000 0.628 302 A CB -0.733 18.381 19.000 0.189 0.000 0.816 302 A HN 0.701 nan 8.150 nan 0.000 0.444 303 Y N -0.974 119.131 120.300 -0.325 0.000 2.336 303 Y HA 0.448 4.997 4.550 -0.000 0.000 0.331 303 Y C 1.488 177.250 175.900 -0.230 0.000 1.211 303 Y CA -0.307 57.455 58.100 -0.562 0.000 1.346 303 Y CB -0.199 37.783 38.460 -0.797 0.000 1.271 303 Y HN 0.065 nan 8.280 nan 0.000 0.538 304 T N -0.612 113.916 114.554 -0.044 0.000 2.942 304 T HA 0.129 4.479 4.350 -0.000 0.000 0.265 304 T C 0.325 175.176 174.700 0.252 0.000 1.062 304 T CA 0.736 62.791 62.100 -0.075 0.000 1.139 304 T CB -0.206 68.446 68.868 -0.360 0.000 0.883 304 T HN 0.872 nan 8.240 nan 0.000 0.468 305 R N -0.677 119.984 120.500 0.268 0.000 2.712 305 R HA 0.650 4.990 4.340 -0.000 0.000 0.272 305 R C -2.350 173.962 176.300 0.021 0.000 1.032 305 R CA -1.058 55.185 56.100 0.238 0.000 0.874 305 R CB 1.312 31.696 30.300 0.140 0.000 1.256 305 R HN 0.023 nan 8.270 nan 0.000 0.468 306 V N 0.569 120.424 119.914 -0.099 0.000 2.680 306 V HA 0.672 4.792 4.120 -0.000 0.000 0.309 306 V C -0.500 175.381 176.094 -0.355 0.000 1.052 306 V CA -0.812 61.218 62.300 -0.450 0.000 0.908 306 V CB 2.048 33.505 31.823 -0.610 0.000 1.001 306 V HN 0.850 nan 8.190 nan 0.000 0.431 307 S N 1.937 117.366 115.700 -0.452 0.000 2.536 307 S HA 0.519 4.989 4.470 -0.000 0.000 0.287 307 S C -0.853 173.412 174.600 -0.558 0.000 1.101 307 S CA -0.675 57.266 58.200 -0.431 0.000 0.950 307 S CB 2.010 64.965 63.200 -0.408 0.000 1.056 307 S HN 0.848 nan 8.310 nan 0.000 0.481 308 E N 1.691 121.660 120.200 -0.386 0.000 2.129 308 E HA 0.360 4.710 4.350 -0.000 0.000 0.268 308 E C -0.353 176.138 176.600 -0.182 0.000 0.900 308 E CA -0.443 55.815 56.400 -0.236 0.000 0.755 308 E CB 0.483 30.215 29.700 0.054 0.000 1.117 308 E HN 0.603 nan 8.360 nan 0.000 0.410 309 F N 3.228 123.148 119.950 -0.050 0.000 2.186 309 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 309 F C 2.029 177.761 175.800 -0.114 0.000 1.090 309 F CA 0.748 58.663 58.000 -0.141 0.000 1.307 309 F CB 0.048 38.894 39.000 -0.256 0.000 1.019 309 F HN 0.439 nan 8.300 nan 0.000 0.489 310 K N -0.434 120.010 120.400 0.073 0.000 2.152 310 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 310 K C 1.795 178.348 176.600 -0.078 0.000 1.048 310 K CA 1.338 57.609 56.287 -0.026 0.000 0.933 310 K CB -0.402 32.058 32.500 -0.068 0.000 0.721 310 K HN 0.407 nan 8.250 nan 0.000 0.447 311 H N 0.151 119.197 119.070 -0.040 0.000 2.387 311 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 311 H C 2.068 177.260 175.328 -0.227 0.000 1.099 311 H CA 1.446 57.475 56.048 -0.032 0.000 1.315 311 H CB 0.031 29.810 29.762 0.028 0.000 1.380 311 H HN 0.212 nan 8.280 nan 0.000 0.513 312 I N 0.203 120.677 120.570 -0.160 0.000 2.731 312 I HA -0.131 4.039 4.170 -0.000 0.000 0.260 312 I C 2.647 178.554 176.117 -0.351 0.000 1.138 312 I CA 1.211 62.206 61.300 -0.507 0.000 1.461 312 I CB -0.102 37.859 38.000 -0.066 0.000 1.128 312 I HN 0.206 nan 8.210 nan 0.000 0.438 313 T N -1.867 112.607 114.554 -0.133 0.000 2.978 313 T HA 0.162 4.512 4.350 -0.000 0.000 0.262 313 T C 1.770 176.426 174.700 -0.074 0.000 1.063 313 T CA 0.784 62.835 62.100 -0.082 0.000 1.140 313 T CB -0.004 68.822 68.868 -0.070 0.000 0.886 313 T HN 0.491 nan 8.240 nan 0.000 0.470 314 G N 1.080 109.837 108.800 -0.072 0.000 2.157 314 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.248 314 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.248 314 G C -0.098 174.797 174.900 -0.009 0.000 0.979 314 G CA 0.256 45.338 45.100 -0.031 0.000 0.650 314 G HN 0.938 nan 8.290 nan 0.000 0.529 315 Q N 0.226 120.022 119.800 -0.006 0.000 2.361 315 Q HA 0.354 4.694 4.340 -0.000 0.000 0.276 315 Q C 0.596 176.626 176.000 0.049 0.000 1.022 315 Q CA -0.211 55.613 55.803 0.035 0.000 0.898 315 Q CB 0.379 29.143 28.738 0.044 0.000 1.246 315 Q HN 0.510 nan 8.270 nan 0.000 0.410 316 R N 2.941 123.485 120.500 0.075 0.000 2.346 316 R HA 0.297 4.636 4.340 -0.000 0.000 0.311 316 R C -1.326 175.059 176.300 0.140 0.000 0.983 316 R CA -0.334 55.813 56.100 0.077 0.000 0.880 316 R CB 0.839 31.168 30.300 0.049 0.000 1.100 316 R HN 0.741 nan 8.270 nan 0.000 0.453 317 H N 2.575 121.659 119.070 0.024 0.000 3.060 317 H HA 0.037 4.593 4.556 -0.000 0.000 0.330 317 H C -0.056 175.288 175.328 0.026 0.000 1.305 317 H CA -0.442 55.622 56.048 0.027 0.000 1.209 317 H CB 1.193 30.944 29.762 -0.019 0.000 1.913 317 H HN 0.934 nan 8.280 nan 0.000 0.534 318 H N 1.503 120.623 119.070 0.083 0.000 2.547 318 H HA 0.187 4.743 4.556 -0.000 0.000 0.272 318 H C -0.390 175.078 175.328 0.233 0.000 0.989 318 H CA 0.132 56.250 56.048 0.116 0.000 1.214 318 H CB 1.130 30.901 29.762 0.015 0.000 1.389 318 H HN 0.420 nan 8.280 nan 0.000 0.577 319 Q N 0.290 120.077 119.800 -0.022 0.000 2.712 319 Q HA 0.481 4.821 4.340 -0.000 0.000 0.267 319 Q C -0.819 175.111 176.000 -0.117 0.000 1.062 319 Q CA -0.933 54.788 55.803 -0.138 0.000 0.888 319 Q CB 2.583 31.134 28.738 -0.313 0.000 1.374 319 Q HN 0.183 nan 8.270 nan 0.000 0.498 320 T N -0.517 113.975 114.554 -0.102 0.000 2.923 320 T HA 0.517 4.866 4.350 -0.000 0.000 0.311 320 T C -1.597 173.094 174.700 -0.014 0.000 1.183 320 T CA -0.438 61.626 62.100 -0.060 0.000 1.020 320 T CB 1.520 70.397 68.868 0.014 0.000 1.165 320 T HN 0.411 nan 8.240 nan 0.000 0.482 321 S N 1.911 117.619 115.700 0.014 0.000 2.500 321 S HA 0.792 5.262 4.470 -0.000 0.000 0.301 321 S C -0.358 174.333 174.600 0.152 0.000 1.092 321 S CA -0.658 57.596 58.200 0.090 0.000 1.030 321 S CB 1.418 64.661 63.200 0.072 0.000 1.031 321 S HN 0.948 nan 8.310 nan 0.000 0.483 322 V N 0.618 120.597 119.914 0.108 0.000 3.074 322 V HA 0.952 5.072 4.120 -0.000 0.000 0.314 322 V C -0.669 175.392 176.094 -0.055 0.000 1.117 322 V CA -0.812 61.429 62.300 -0.098 0.000 1.014 322 V CB 1.772 33.491 31.823 -0.174 0.000 1.057 322 V HN 0.591 nan 8.190 nan 0.000 0.438 323 V N 2.556 122.288 119.914 -0.303 0.000 2.588 323 V HA 0.665 4.784 4.120 -0.000 0.000 0.304 323 V C -1.497 174.381 176.094 -0.361 0.000 1.042 323 V CA -0.435 61.724 62.300 -0.235 0.000 0.877 323 V CB 1.836 33.552 31.823 -0.178 0.000 0.996 323 V HN 0.877 nan 8.190 nan 0.000 0.425 324 Y N 3.850 124.050 120.300 -0.166 0.000 2.361 324 Y HA 0.589 5.138 4.550 -0.000 0.000 0.332 324 Y C 0.508 176.361 175.900 -0.078 0.000 1.101 324 Y CA -0.465 57.484 58.100 -0.252 0.000 1.137 324 Y CB 1.587 39.790 38.460 -0.428 0.000 1.207 324 Y HN 0.563 nan 8.280 nan 0.000 0.463 325 E N 2.500 122.695 120.200 -0.009 0.000 2.171 325 E HA 0.311 4.661 4.350 -0.000 0.000 0.271 325 E C -1.743 174.754 176.600 -0.173 0.000 0.916 325 E CA -0.838 55.577 56.400 0.025 0.000 0.774 325 E CB 1.368 31.123 29.700 0.092 0.000 1.128 325 E HN 0.499 nan 8.360 nan 0.000 0.403 326 Y N 2.481 122.754 120.300 -0.044 0.000 2.345 326 Y HA 0.269 4.819 4.550 -0.000 0.000 0.331 326 Y C -2.242 173.591 175.900 -0.110 0.000 0.959 326 Y CA -2.837 55.239 58.100 -0.039 0.000 1.204 326 Y CB 1.150 39.599 38.460 -0.017 0.000 1.135 326 Y HN 0.379 nan 8.280 nan 0.000 0.477 327 P HA 0.087 nan 4.420 nan 0.000 0.265 327 P C -0.335 176.955 177.300 -0.017 0.000 1.187 327 P CA 0.145 63.190 63.100 -0.092 0.000 0.766 327 P CB 0.696 32.288 31.700 -0.180 0.000 0.820 328 R N 1.776 122.272 120.500 -0.007 0.000 2.725 328 R HA 0.566 4.906 4.340 -0.000 0.000 0.277 328 R C 0.705 177.028 176.300 0.038 0.000 0.987 328 R CA -0.853 55.262 56.100 0.024 0.000 0.901 328 R CB 1.823 32.144 30.300 0.035 0.000 1.207 328 R HN 0.385 nan 8.270 nan 0.000 0.463 329 A N 1.562 124.408 122.820 0.043 0.000 1.843 329 A HA 0.012 4.332 4.320 -0.000 0.000 0.213 329 A C 0.250 177.874 177.584 0.067 0.000 1.202 329 A CA 1.071 53.145 52.037 0.061 0.000 0.607 329 A CB -0.077 18.955 19.000 0.053 0.000 0.847 329 A HN 0.568 nan 8.150 nan 0.000 0.445 330 E N -1.412 118.818 120.200 0.049 0.000 2.277 330 E HA 0.535 4.885 4.350 -0.000 0.000 0.274 330 E C 0.261 176.885 176.600 0.040 0.000 1.022 330 E CA 0.951 57.377 56.400 0.043 0.000 0.853 330 E CB 1.311 31.029 29.700 0.030 0.000 1.086 330 E HN 0.806 nan 8.360 nan 0.000 0.397 331 G N 2.239 111.056 108.800 0.028 0.000 2.346 331 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.294 331 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.294 331 G C -1.387 173.477 174.900 -0.060 0.000 1.294 331 G CA -1.064 44.043 45.100 0.011 0.000 0.962 331 G HN 0.461 nan 8.290 nan 0.000 0.508 332 D N 1.843 122.155 120.400 -0.145 0.000 2.455 332 D HA 0.386 5.026 4.640 -0.000 0.000 0.241 332 D C -2.064 173.865 176.300 -0.618 0.000 1.138 332 D CA -0.062 53.727 54.000 -0.350 0.000 0.877 332 D CB 1.045 41.618 40.800 -0.378 0.000 1.187 332 D HN 0.097 nan 8.370 nan 0.000 0.451 333 P HA 0.077 nan 4.420 nan 0.000 0.270 333 P C -0.346 176.751 177.300 -0.338 0.000 1.242 333 P CA 0.299 63.217 63.100 -0.303 0.000 0.768 333 P CB 0.080 31.477 31.700 -0.504 0.000 0.820 334 Y N 1.257 121.634 120.300 0.128 0.000 2.607 334 Y HA 0.208 4.758 4.550 -0.000 0.000 0.276 334 Y C 0.349 176.158 175.900 -0.151 0.000 1.117 334 Y CA -0.090 58.013 58.100 0.004 0.000 1.273 334 Y CB 0.371 38.878 38.460 0.077 0.000 1.282 334 Y HN 0.198 nan 8.280 nan 0.000 0.514 335 Y N 1.009 121.440 120.300 0.219 0.000 2.350 335 Y HA 0.428 4.978 4.550 -0.000 0.000 0.338 335 Y C -2.649 173.339 175.900 0.146 0.000 0.961 335 Y CA -3.714 54.431 58.100 0.076 0.000 1.100 335 Y CB 1.007 39.407 38.460 -0.100 0.000 1.179 335 Y HN -0.190 nan 8.280 nan 0.000 0.454 336 P HA 0.096 nan 4.420 nan 0.000 0.272 336 P C -0.759 176.444 177.300 -0.161 0.000 1.223 336 P CA -0.209 62.646 63.100 -0.409 0.000 0.784 336 P CB 0.830 31.983 31.700 -0.911 0.000 0.923 337 V N 4.158 123.978 119.914 -0.158 0.000 2.239 337 V HA 0.230 4.349 4.120 -0.000 0.000 0.267 337 V C -2.220 173.812 176.094 -0.103 0.000 1.056 337 V CA -1.883 60.411 62.300 -0.011 0.000 0.830 337 V CB 0.692 32.611 31.823 0.160 0.000 1.090 337 V HN 0.485 nan 8.190 nan 0.000 0.459 338 P HA 0.262 nan 4.420 nan 0.000 0.264 338 P C -0.237 177.004 177.300 -0.099 0.000 1.236 338 P CA 0.228 63.261 63.100 -0.112 0.000 0.811 338 P CB 0.142 31.782 31.700 -0.101 0.000 0.840 339 R N 2.779 123.271 120.500 -0.014 0.000 2.690 339 R HA 0.401 4.740 4.340 -0.000 0.000 0.269 339 R C -2.830 173.486 176.300 0.026 0.000 1.037 339 R CA -1.815 54.277 56.100 -0.013 0.000 0.877 339 R CB -0.029 30.255 30.300 -0.025 0.000 1.255 339 R HN -0.077 nan 8.270 nan 0.000 0.467 340 P HA -0.273 nan 4.420 nan 0.000 0.215 340 P C 0.717 178.035 177.300 0.030 0.000 1.157 340 P CA 1.729 64.842 63.100 0.022 0.000 0.874 340 P CB 0.095 31.801 31.700 0.010 0.000 0.790 341 E N -0.391 119.827 120.200 0.029 0.000 2.058 341 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 341 E C 1.521 178.147 176.600 0.043 0.000 0.997 341 E CA 1.395 57.814 56.400 0.032 0.000 0.801 341 E CB -1.443 28.277 29.700 0.034 0.000 0.746 341 E HN 0.306 nan 8.360 nan 0.000 0.450 342 N N 1.636 120.375 118.700 0.065 0.000 2.216 342 N HA -0.017 4.723 4.740 -0.000 0.000 0.183 342 N C 1.885 177.446 175.510 0.085 0.000 1.017 342 N CA 1.590 54.688 53.050 0.080 0.000 0.861 342 N CB -0.541 38.048 38.487 0.171 0.000 0.986 342 N HN 0.321 nan 8.380 nan 0.000 0.428 343 A N 0.813 123.708 122.820 0.124 0.000 2.024 343 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 343 A C 2.162 179.806 177.584 0.099 0.000 1.164 343 A CA 1.527 53.653 52.037 0.148 0.000 0.643 343 A CB -0.457 18.612 19.000 0.114 0.000 0.806 343 A HN 0.356 nan 8.150 nan 0.000 0.451 344 E N -0.565 119.661 120.200 0.043 0.000 2.112 344 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 344 E C 1.920 178.491 176.600 -0.049 0.000 0.979 344 E CA 0.542 56.938 56.400 -0.007 0.000 0.814 344 E CB -0.142 29.552 29.700 -0.010 0.000 0.762 344 E HN 0.582 nan 8.360 nan 0.000 0.460 345 L N 0.125 121.338 121.223 -0.018 0.000 2.027 345 L HA -0.187 4.153 4.340 -0.000 0.000 0.206 345 L C 2.329 179.190 176.870 -0.015 0.000 1.074 345 L CA 1.535 56.361 54.840 -0.023 0.000 0.745 345 L CB -0.346 41.744 42.059 0.051 0.000 0.898 345 L HN 0.332 nan 8.230 nan 0.000 0.433 346 Y N 0.973 121.199 120.300 -0.123 0.000 2.165 346 Y HA -0.308 4.242 4.550 -0.000 0.000 0.286 346 Y C 2.564 178.423 175.900 -0.069 0.000 1.155 346 Y CA 1.794 59.824 58.100 -0.117 0.000 1.164 346 Y CB -0.235 38.063 38.460 -0.270 0.000 0.978 346 Y HN 0.040 nan 8.280 nan 0.000 0.513 347 K N 0.276 120.531 120.400 -0.242 0.000 2.113 347 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 347 K C 2.002 178.329 176.600 -0.454 0.000 1.047 347 K CA 2.069 58.159 56.287 -0.328 0.000 0.928 347 K CB -0.100 32.314 32.500 -0.143 0.000 0.716 347 K HN 0.426 nan 8.250 nan 0.000 0.446 348 K N -0.511 119.575 120.400 -0.524 0.000 2.025 348 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 348 K C 2.081 178.181 176.600 -0.832 0.000 1.049 348 K CA 1.463 57.273 56.287 -0.795 0.000 0.933 348 K CB -0.238 31.514 32.500 -1.247 0.000 0.714 348 K HN 0.195 nan 8.250 nan 0.000 0.438 349 Y N 1.737 121.661 120.300 -0.626 0.000 2.224 349 Y HA -0.215 4.335 4.550 -0.000 0.000 0.289 349 Y C 2.583 178.130 175.900 -0.587 0.000 1.146 349 Y CA 1.260 59.069 58.100 -0.485 0.000 1.182 349 Y CB -0.080 38.257 38.460 -0.205 0.000 0.983 349 Y HN 0.224 nan 8.280 nan 0.000 0.524 350 E N 0.382 120.184 120.200 -0.663 0.000 2.085 350 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 350 E C 2.313 178.697 176.600 -0.359 0.000 0.994 350 E CA 1.113 57.152 56.400 -0.601 0.000 0.801 350 E CB -0.188 29.103 29.700 -0.682 0.000 0.743 350 E HN 0.454 nan 8.360 nan 0.000 0.453 351 A N 1.060 123.668 122.820 -0.354 0.000 1.902 351 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 351 A C 2.220 179.657 177.584 -0.245 0.000 1.181 351 A CA 1.066 52.950 52.037 -0.254 0.000 0.623 351 A CB -0.610 18.239 19.000 -0.253 0.000 0.818 351 A HN 0.310 nan 8.150 nan 0.000 0.443 352 L N -0.858 120.133 121.223 -0.387 0.000 2.017 352 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 352 L C 3.140 179.890 176.870 -0.200 0.000 1.073 352 L CA 1.252 55.788 54.840 -0.507 0.000 0.745 352 L CB -0.670 40.595 42.059 -1.322 0.000 0.894 352 L HN 0.470 nan 8.230 nan 0.000 0.432 353 A N -0.210 122.491 122.820 -0.197 0.000 1.877 353 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 353 A C 1.878 179.473 177.584 0.019 0.000 1.186 353 A CA 1.914 53.829 52.037 -0.203 0.000 0.620 353 A CB -0.526 17.843 19.000 -1.052 0.000 0.822 353 A HN 0.357 nan 8.150 nan 0.000 0.443 354 D N -0.087 120.285 120.400 -0.046 0.000 2.263 354 D HA 0.002 4.642 4.640 -0.000 0.000 0.208 354 D C 1.940 178.280 176.300 0.066 0.000 0.971 354 D CA 1.261 55.277 54.000 0.027 0.000 0.867 354 D CB -0.167 40.623 40.800 -0.017 0.000 0.929 354 D HN 0.466 nan 8.370 nan 0.000 0.492 355 A N 0.551 123.406 122.820 0.059 0.000 2.030 355 A HA 0.329 4.649 4.320 -0.000 0.000 0.215 355 A C 1.413 179.093 177.584 0.160 0.000 1.164 355 A CA 0.492 52.578 52.037 0.082 0.000 0.697 355 A CB -0.155 18.867 19.000 0.038 0.000 0.827 355 A HN 0.155 nan 8.150 nan 0.000 0.457 356 A N 0.751 123.727 122.820 0.260 0.000 2.526 356 A HA 0.252 4.572 4.320 -0.000 0.000 0.267 356 A C 1.165 178.889 177.584 0.234 0.000 1.095 356 A CA -0.092 52.144 52.037 0.332 0.000 0.775 356 A CB 0.066 19.392 19.000 0.542 0.000 1.036 356 A HN 0.506 nan 8.150 nan 0.000 0.510 357 Q N 1.671 121.576 119.800 0.175 0.000 1.965 357 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 357 Q C 0.009 176.092 176.000 0.138 0.000 0.981 357 Q CA 1.364 57.253 55.803 0.143 0.000 0.834 357 Q CB -0.093 28.709 28.738 0.107 0.000 0.900 357 Q HN 0.822 nan 8.270 nan 0.000 0.426 358 D N 0.646 121.074 120.400 0.047 0.000 2.706 358 D HA 0.179 4.819 4.640 -0.000 0.000 0.236 358 D C -0.634 175.358 176.300 -0.514 0.000 1.231 358 D CA 0.084 53.987 54.000 -0.160 0.000 0.828 358 D CB 0.701 41.464 40.800 -0.062 0.000 1.015 358 D HN -0.096 nan 8.370 nan 0.000 0.484 359 V N 0.393 120.150 119.914 -0.262 0.000 2.623 359 V HA 0.266 4.385 4.120 -0.000 0.000 0.304 359 V C 0.102 176.172 176.094 -0.040 0.000 1.054 359 V CA -0.569 61.571 62.300 -0.267 0.000 0.882 359 V CB 2.412 34.123 31.823 -0.186 0.000 1.002 359 V HN -0.090 nan 8.190 nan 0.000 0.424 360 T N 5.543 120.085 114.554 -0.021 0.000 2.770 360 T HA 0.644 4.994 4.350 -0.000 0.000 0.283 360 T C -0.718 173.950 174.700 -0.053 0.000 0.988 360 T CA -0.082 62.120 62.100 0.170 0.000 0.957 360 T CB 0.425 69.495 68.868 0.336 0.000 0.930 360 T HN 0.284 nan 8.240 nan 0.000 0.443 361 F N 2.982 122.972 119.950 0.067 0.000 2.410 361 F HA 0.682 5.209 4.527 -0.000 0.000 0.349 361 F C 0.351 176.205 175.800 0.090 0.000 1.117 361 F CA -0.748 57.290 58.000 0.064 0.000 1.104 361 F CB 1.351 40.406 39.000 0.093 0.000 1.122 361 F HN 0.233 nan 8.300 nan 0.000 0.483 362 V N 2.512 122.537 119.914 0.186 0.000 3.077 362 V HA 0.931 5.051 4.120 -0.000 0.000 0.299 362 V C -0.544 175.615 176.094 0.108 0.000 1.276 362 V CA 0.284 62.678 62.300 0.156 0.000 0.993 362 V CB 1.471 33.364 31.823 0.118 0.000 1.076 362 V HN 1.298 nan 8.190 nan 0.000 0.434 363 G N 4.631 113.523 108.800 0.153 0.000 2.408 363 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.682 363 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.682 363 G C 0.058 175.058 174.900 0.166 0.000 1.303 363 G CA 0.216 45.402 45.100 0.143 0.000 0.966 363 G HN 1.302 nan 8.290 nan 0.000 0.560 364 R N -0.535 120.057 120.500 0.154 0.000 2.073 364 R HA 0.161 4.501 4.340 -0.000 0.000 0.229 364 R C 2.302 178.663 176.300 0.102 0.000 1.120 364 R CA 1.623 57.799 56.100 0.126 0.000 0.967 364 R CB -0.324 30.066 30.300 0.148 0.000 0.862 364 R HN 0.523 nan 8.270 nan 0.000 0.436 365 L N -0.010 121.264 121.223 0.086 0.000 2.131 365 L HA 0.059 4.399 4.340 -0.000 0.000 0.206 365 L C 2.511 179.512 176.870 0.220 0.000 1.087 365 L CA 0.982 55.884 54.840 0.104 0.000 0.767 365 L CB -0.348 41.655 42.059 -0.094 0.000 0.917 365 L HN 0.272 nan 8.230 nan 0.000 0.441 366 A N -0.300 122.623 122.820 0.170 0.000 2.072 366 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 366 A C 1.975 179.791 177.584 0.387 0.000 1.156 366 A CA 1.469 53.694 52.037 0.315 0.000 0.701 366 A CB -0.431 18.706 19.000 0.228 0.000 0.816 366 A HN 0.451 nan 8.150 nan 0.000 0.458 367 T N -7.033 107.672 114.554 0.252 0.000 3.132 367 T HA 0.199 4.548 4.350 -0.000 0.000 0.274 367 T C 0.255 174.884 174.700 -0.117 0.000 1.011 367 T CA -0.057 62.150 62.100 0.178 0.000 0.899 367 T CB -0.536 68.429 68.868 0.161 0.000 1.089 367 T HN 0.556 nan 8.240 nan 0.000 0.543 368 Y N 2.229 122.412 120.300 -0.196 0.000 3.037 368 Y HA -0.258 4.292 4.550 -0.000 0.000 0.204 368 Y C -0.315 175.396 175.900 -0.316 0.000 1.275 368 Y CA 0.058 57.978 58.100 -0.300 0.000 1.066 368 Y CB -1.698 36.323 38.460 -0.732 0.000 1.305 368 Y HN 0.465 nan 8.280 nan 0.000 0.499 369 R N 1.342 121.667 120.500 -0.291 0.000 2.513 369 R HA 0.219 4.559 4.340 -0.000 0.000 0.301 369 R C -0.756 175.386 176.300 -0.263 0.000 0.968 369 R CA -1.144 54.696 56.100 -0.432 0.000 0.872 369 R CB 0.972 30.754 30.300 -0.863 0.000 1.177 369 R HN 0.157 nan 8.270 nan 0.000 0.444 370 Y N 4.539 124.690 120.300 -0.249 0.000 2.619 370 Y HA 0.013 4.563 4.550 -0.000 0.000 0.339 370 Y C -0.987 174.976 175.900 0.105 0.000 1.224 370 Y CA -0.346 57.748 58.100 -0.011 0.000 1.946 370 Y CB -0.502 38.006 38.460 0.080 0.000 1.957 370 Y HN 0.368 nan 8.280 nan 0.000 0.421 371 Y N 1.905 122.368 120.300 0.270 0.000 2.352 371 Y HA 0.302 4.851 4.550 -0.000 0.000 0.326 371 Y C 0.666 176.634 175.900 0.115 0.000 1.166 371 Y CA -1.603 56.575 58.100 0.130 0.000 1.182 371 Y CB 0.837 39.345 38.460 0.081 0.000 1.216 371 Y HN 0.312 nan 8.280 nan 0.000 0.474 372 N N 1.976 120.783 118.700 0.177 0.000 2.463 372 N HA 0.220 4.960 4.740 -0.000 0.000 0.270 372 N C 1.223 176.675 175.510 -0.097 0.000 1.205 372 N CA -0.286 52.774 53.050 0.017 0.000 0.974 372 N CB 0.766 39.181 38.487 -0.119 0.000 1.197 372 N HN 0.657 nan 8.380 nan 0.000 0.504 373 M N 0.365 119.876 119.600 -0.149 0.000 2.088 373 M HA -0.249 4.231 4.480 -0.000 0.000 0.256 373 M C 1.459 177.536 176.300 -0.373 0.000 1.071 373 M CA 1.797 56.925 55.300 -0.286 0.000 1.097 373 M CB -0.449 32.005 32.600 -0.243 0.000 1.315 373 M HN 0.587 nan 8.290 nan 0.000 0.406 374 D N -0.120 120.047 120.400 -0.389 0.000 2.178 374 D HA -0.208 4.432 4.640 -0.000 0.000 0.201 374 D C 1.669 177.813 176.300 -0.259 0.000 0.980 374 D CA 1.513 55.336 54.000 -0.295 0.000 0.842 374 D CB -0.549 39.929 40.800 -0.537 0.000 0.948 374 D HN 0.526 nan 8.370 nan 0.000 0.472 375 Q N 0.171 119.774 119.800 -0.328 0.000 2.049 375 Q HA -0.036 4.304 4.340 -0.000 0.000 0.198 375 Q C 2.647 178.394 176.000 -0.422 0.000 0.971 375 Q CA 1.032 56.556 55.803 -0.465 0.000 0.833 375 Q CB 0.091 28.396 28.738 -0.723 0.000 0.896 375 Q HN 0.171 nan 8.270 nan 0.000 0.434 376 V N 0.332 120.114 119.914 -0.221 0.000 2.332 376 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 376 V C 2.244 178.326 176.094 -0.020 0.000 1.055 376 V CA 1.444 63.732 62.300 -0.021 0.000 1.038 376 V CB -0.493 31.400 31.823 0.117 0.000 0.651 376 V HN 0.198 nan 8.190 nan 0.000 0.450 377 V N 0.346 120.224 119.914 -0.061 0.000 2.282 377 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 377 V C 2.721 178.774 176.094 -0.068 0.000 1.057 377 V CA 2.263 64.554 62.300 -0.016 0.000 1.032 377 V CB -1.198 30.633 31.823 0.012 0.000 0.645 377 V HN 0.583 nan 8.190 nan 0.000 0.447 378 A N -1.090 121.670 122.820 -0.100 0.000 1.902 378 A HA -0.318 4.002 4.320 -0.000 0.000 0.217 378 A C 2.268 179.809 177.584 -0.072 0.000 1.181 378 A CA 2.190 54.168 52.037 -0.099 0.000 0.623 378 A CB -0.562 18.362 19.000 -0.126 0.000 0.818 378 A HN 0.616 nan 8.150 nan 0.000 0.443 379 Q N -0.647 119.112 119.800 -0.068 0.000 2.079 379 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 379 Q C 2.249 178.272 176.000 0.040 0.000 0.974 379 Q CA 1.433 57.244 55.803 0.013 0.000 0.840 379 Q CB -0.323 28.466 28.738 0.085 0.000 0.898 379 Q HN 0.609 nan 8.270 nan 0.000 0.430 380 A N 1.016 123.851 122.820 0.025 0.000 1.865 380 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 380 A C 2.082 179.670 177.584 0.008 0.000 1.191 380 A CA 1.348 53.399 52.037 0.023 0.000 0.623 380 A CB -0.895 18.111 19.000 0.011 0.000 0.826 380 A HN 0.451 nan 8.150 nan 0.000 0.444 381 L N -0.830 120.356 121.223 -0.062 0.000 2.079 381 L HA -0.259 4.080 4.340 -0.000 0.000 0.210 381 L C 3.094 179.998 176.870 0.055 0.000 1.081 381 L CA 1.188 55.990 54.840 -0.063 0.000 0.752 381 L CB -0.532 41.425 42.059 -0.170 0.000 0.896 381 L HN 0.482 nan 8.230 nan 0.000 0.433 382 A N -0.683 122.157 122.820 0.033 0.000 1.855 382 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 382 A C 2.338 179.957 177.584 0.060 0.000 1.191 382 A CA 2.176 54.239 52.037 0.044 0.000 0.613 382 A CB -0.987 18.034 19.000 0.034 0.000 0.829 382 A HN 0.349 nan 8.150 nan 0.000 0.442 383 T N -0.517 114.082 114.554 0.074 0.000 2.685 383 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 383 T C 1.571 176.316 174.700 0.075 0.000 1.034 383 T CA 1.938 64.086 62.100 0.080 0.000 1.149 383 T CB -0.448 68.476 68.868 0.093 0.000 0.860 383 T HN 0.499 nan 8.240 nan 0.000 0.449 384 F N 1.987 121.907 119.950 -0.050 0.000 2.146 384 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 384 F C 2.357 178.130 175.800 -0.045 0.000 1.096 384 F CA 1.159 59.116 58.000 -0.071 0.000 1.275 384 F CB -0.216 38.730 39.000 -0.090 0.000 1.008 384 F HN -0.047 nan 8.300 nan 0.000 0.480 385 R N -0.016 120.414 120.500 -0.116 0.000 2.120 385 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 385 R C 2.330 178.524 176.300 -0.177 0.000 1.123 385 R CA 1.422 57.408 56.100 -0.189 0.000 0.975 385 R CB -0.321 29.959 30.300 -0.032 0.000 0.866 385 R HN 0.332 nan 8.270 nan 0.000 0.446 386 R N 0.070 120.507 120.500 -0.105 0.000 2.062 386 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 386 R C 2.076 178.315 176.300 -0.102 0.000 1.128 386 R CA 0.804 56.863 56.100 -0.068 0.000 0.960 386 R CB -0.334 29.960 30.300 -0.009 0.000 0.855 386 R HN 0.052 nan 8.270 nan 0.000 0.432 387 L N 1.410 122.550 121.223 -0.138 0.000 2.079 387 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 387 L C 1.768 178.524 176.870 -0.189 0.000 1.081 387 L CA 1.720 56.474 54.840 -0.144 0.000 0.752 387 L CB -0.634 41.337 42.059 -0.148 0.000 0.896 387 L HN 0.173 nan 8.230 nan 0.000 0.433 388 Q N -0.161 119.434 119.800 -0.341 0.000 2.265 388 Q HA 0.232 4.572 4.340 -0.000 0.000 0.217 388 Q C 0.597 176.496 176.000 -0.169 0.000 0.916 388 Q CA 0.318 55.936 55.803 -0.308 0.000 0.948 388 Q CB -0.061 28.363 28.738 -0.523 0.000 1.020 388 Q HN 0.445 nan 8.270 nan 0.000 0.462 389 G N 0.000 108.730 108.800 -0.116 0.000 5.446 389 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 389 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 389 G CA 0.000 45.060 45.100 -0.067 0.000 0.502 389 G HN 0.000 nan 8.290 nan 0.000 0.925