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 3glh_1_L DATA FIRST_RESID 3 DATA SEQUENCE YQVLARKWRP QTFADVVGQE HVLTALANGL SLGRIHHAYL FSGTRGVGKT DATA SEQUENCE SIARLLAKGL NCETGITATP CGVCDNCREI EQGRFVDLIE IDAASRTKVE DATA SEQUENCE DTRDLLDNVQ YAPARGRFKV YLIDEVHMLS RHSFNALLKT LEEPPEHVKF DATA SEQUENCE LLATTDPQKL PVTILSRCLQ FHLKXLDVEQ IRHQLEHILN EEHIAHEPRA DATA SEQUENCE LQLLARAAEG SLRDALSLTD QAIASGDGQV STQAVSAMLX TLDDDQALSL DATA SEQUENCE VEAMVEANGE RVMALINEAA ARGIEWEALL VEMLGLLHRI AMVQLSPAAL DATA SEQUENCE GNDMAAIELR MRELARTIPP TDIQLYYQTL LIGRKELPYA PDRRMGVEMT DATA SEQUENCE LLRALAFHPR MPLPEP 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.901 175.900 0.002 0.000 1.272 3 Y CA 0.000 58.100 58.100 0.000 0.000 1.940 3 Y CB 0.000 38.457 38.460 -0.004 0.000 1.050 4 Q N 2.871 122.776 119.800 0.174 0.000 2.913 4 Q HA 0.284 4.624 4.340 -0.000 0.000 0.213 4 Q C -1.987 174.068 176.000 0.092 0.000 0.981 4 Q CA -0.709 55.145 55.803 0.085 0.000 1.133 4 Q CB 2.785 31.566 28.738 0.072 0.000 1.839 4 Q HN 0.537 nan 8.270 nan 0.000 0.540 5 V N 4.401 124.361 119.914 0.076 0.000 2.427 5 V HA 0.251 4.371 4.120 -0.000 0.000 0.286 5 V C 1.375 177.542 176.094 0.121 0.000 1.034 5 V CA -0.316 62.032 62.300 0.081 0.000 0.893 5 V CB 1.421 33.279 31.823 0.059 0.000 0.982 5 V HN 0.852 nan 8.190 nan 0.000 0.452 6 L N 3.510 124.817 121.223 0.140 0.000 2.013 6 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 6 L C 2.603 179.623 176.870 0.251 0.000 1.073 6 L CA 2.197 57.173 54.840 0.228 0.000 0.753 6 L CB -0.482 41.628 42.059 0.085 0.000 0.890 6 L HN 0.891 nan 8.230 nan 0.000 0.432 7 A N 0.235 123.133 122.820 0.130 0.000 1.908 7 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 7 A C 2.307 179.964 177.584 0.122 0.000 1.181 7 A CA 2.174 54.278 52.037 0.111 0.000 0.627 7 A CB -0.488 18.548 19.000 0.060 0.000 0.818 7 A HN 0.394 nan 8.150 nan 0.000 0.445 8 R N 0.087 120.644 120.500 0.095 0.000 2.075 8 R HA 0.010 4.350 4.340 -0.000 0.000 0.226 8 R C 2.050 178.375 176.300 0.041 0.000 1.114 8 R CA 2.038 58.169 56.100 0.051 0.000 0.972 8 R CB -0.506 29.808 30.300 0.023 0.000 0.869 8 R HN 0.437 nan 8.270 nan 0.000 0.437 9 K N -0.971 119.474 120.400 0.075 0.000 2.283 9 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 9 K C 0.199 176.678 176.600 -0.201 0.000 1.048 9 K CA 1.111 57.370 56.287 -0.046 0.000 0.948 9 K CB 0.011 32.505 32.500 -0.011 0.000 0.742 9 K HN 0.264 nan 8.250 nan 0.000 0.458 10 W N 1.480 122.778 121.300 -0.004 0.000 3.102 10 W HA 0.270 4.930 4.660 -0.000 0.000 0.401 10 W C -0.078 176.439 176.519 -0.004 0.000 1.070 10 W CA -0.696 56.653 57.345 0.006 0.000 1.921 10 W CB 0.212 29.684 29.460 0.021 0.000 1.118 10 W HN -0.193 nan 8.180 nan 0.000 0.647 11 R N 1.939 122.494 120.500 0.093 0.000 2.504 11 R HA 0.007 4.347 4.340 -0.000 0.000 0.291 11 R C -2.160 174.155 176.300 0.025 0.000 0.974 11 R CA -1.028 55.101 56.100 0.048 0.000 1.077 11 R CB 0.142 30.443 30.300 0.003 0.000 0.926 11 R HN -0.223 nan 8.270 nan 0.000 0.407 12 P HA -0.029 nan 4.420 nan 0.000 0.264 12 P C -0.306 176.987 177.300 -0.012 0.000 1.193 12 P CA 0.142 63.259 63.100 0.028 0.000 0.763 12 P CB 0.787 32.509 31.700 0.035 0.000 0.810 13 Q N 0.638 120.419 119.800 -0.030 0.000 2.282 13 Q HA 0.161 4.501 4.340 -0.000 0.000 0.206 13 Q C 0.022 175.981 176.000 -0.068 0.000 0.878 13 Q CA 0.719 56.485 55.803 -0.062 0.000 0.944 13 Q CB 0.479 29.168 28.738 -0.081 0.000 1.100 13 Q HN 0.490 nan 8.270 nan 0.000 0.509 14 T N -1.711 112.826 114.554 -0.029 0.000 2.802 14 T HA 0.328 4.678 4.350 -0.000 0.000 0.311 14 T C 0.231 174.998 174.700 0.110 0.000 1.405 14 T CA -0.669 61.413 62.100 -0.031 0.000 1.016 14 T CB 0.412 69.264 68.868 -0.027 0.000 1.352 14 T HN -0.269 nan 8.240 nan 0.000 0.498 15 F N 1.385 121.292 119.950 -0.072 0.000 2.126 15 F HA -0.031 4.496 4.527 -0.000 0.000 0.299 15 F C 2.897 178.660 175.800 -0.063 0.000 1.096 15 F CA 1.394 59.347 58.000 -0.078 0.000 1.255 15 F CB -1.439 37.514 39.000 -0.078 0.000 0.997 15 F HN 0.837 nan 8.300 nan 0.000 0.479 16 A N 0.462 123.379 122.820 0.162 0.000 1.971 16 A HA -0.262 4.058 4.320 -0.000 0.000 0.222 16 A C 1.119 178.727 177.584 0.039 0.000 1.182 16 A CA 2.291 54.370 52.037 0.069 0.000 0.649 16 A CB -1.195 17.829 19.000 0.041 0.000 0.818 16 A HN 0.502 nan 8.150 nan 0.000 0.458 17 D N -1.275 119.153 120.400 0.047 0.000 2.559 17 D HA 0.343 4.983 4.640 -0.000 0.000 0.234 17 D C 0.042 176.363 176.300 0.034 0.000 1.226 17 D CA 0.102 54.124 54.000 0.036 0.000 0.830 17 D CB -0.028 40.803 40.800 0.052 0.000 1.028 17 D HN 0.377 nan 8.370 nan 0.000 0.492 18 V N -1.433 118.490 119.914 0.015 0.000 2.539 18 V HA 0.493 4.613 4.120 -0.000 0.000 0.292 18 V C 0.095 176.170 176.094 -0.031 0.000 1.045 18 V CA -0.913 61.383 62.300 -0.006 0.000 0.945 18 V CB 1.755 33.559 31.823 -0.033 0.000 0.993 18 V HN -0.024 nan 8.190 nan 0.000 0.464 19 V N 5.994 125.891 119.914 -0.028 0.000 2.439 19 V HA 0.502 4.622 4.120 -0.000 0.000 0.271 19 V C 1.629 177.692 176.094 -0.051 0.000 1.040 19 V CA 0.852 63.127 62.300 -0.042 0.000 1.002 19 V CB -0.081 31.724 31.823 -0.030 0.000 1.000 19 V HN 1.727 nan 8.190 nan 0.000 0.477 20 G N 4.527 113.288 108.800 -0.065 0.000 2.296 20 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.282 20 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.282 20 G C 0.338 175.208 174.900 -0.050 0.000 1.014 20 G CA 0.577 45.641 45.100 -0.060 0.000 0.812 20 G HN 0.799 nan 8.290 nan 0.000 0.508 21 Q N -0.591 119.168 119.800 -0.069 0.000 2.354 21 Q HA 0.298 4.638 4.340 -0.000 0.000 0.372 21 Q C 1.507 177.453 176.000 -0.089 0.000 0.923 21 Q CA 0.102 55.871 55.803 -0.056 0.000 1.123 21 Q CB 0.281 28.987 28.738 -0.053 0.000 1.298 21 Q HN 0.761 nan 8.270 nan 0.000 0.419 22 E N 0.364 120.502 120.200 -0.103 0.000 2.160 22 E HA -0.309 4.041 4.350 -0.000 0.000 0.237 22 E C 1.146 177.640 176.600 -0.176 0.000 1.069 22 E CA 1.708 58.007 56.400 -0.168 0.000 0.950 22 E CB -0.315 29.266 29.700 -0.199 0.000 0.832 22 E HN 0.513 nan 8.360 nan 0.000 0.496 23 H N -0.319 118.739 119.070 -0.021 0.000 2.543 23 H HA -0.018 4.538 4.556 -0.000 0.000 0.286 23 H C 2.027 177.363 175.328 0.013 0.000 1.037 23 H CA 0.875 56.932 56.048 0.014 0.000 1.250 23 H CB 0.095 29.888 29.762 0.052 0.000 1.373 23 H HN 0.056 nan 8.280 nan 0.000 0.580 24 V N 0.496 120.414 119.914 0.008 0.000 2.374 24 V HA -0.148 3.972 4.120 -0.000 0.000 0.241 24 V C 2.644 178.512 176.094 -0.377 0.000 1.034 24 V CA 0.715 62.897 62.300 -0.197 0.000 1.037 24 V CB -0.284 31.417 31.823 -0.204 0.000 0.682 24 V HN 0.249 nan 8.190 nan 0.000 0.463 25 L N -0.105 120.895 121.223 -0.372 0.000 2.079 25 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 25 L C 2.571 179.237 176.870 -0.340 0.000 1.081 25 L CA 1.930 56.441 54.840 -0.548 0.000 0.752 25 L CB -1.165 40.620 42.059 -0.456 0.000 0.896 25 L HN 0.374 nan 8.230 nan 0.000 0.433 26 T N 0.034 114.488 114.554 -0.167 0.000 2.701 26 T HA -0.128 4.222 4.350 -0.000 0.000 0.263 26 T C 2.103 176.809 174.700 0.010 0.000 1.040 26 T CA 1.282 63.349 62.100 -0.054 0.000 1.147 26 T CB -0.262 68.587 68.868 -0.031 0.000 0.865 26 T HN 0.435 nan 8.240 nan 0.000 0.426 27 A N 1.538 124.384 122.820 0.043 0.000 1.873 27 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 27 A C 2.332 179.981 177.584 0.108 0.000 1.193 27 A CA 1.613 53.735 52.037 0.141 0.000 0.629 27 A CB -1.097 18.079 19.000 0.294 0.000 0.826 27 A HN 0.479 nan 8.150 nan 0.000 0.447 28 L N -1.024 120.166 121.223 -0.054 0.000 2.046 28 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 28 L C 3.064 180.041 176.870 0.178 0.000 1.077 28 L CA 1.159 56.004 54.840 0.007 0.000 0.747 28 L CB -0.535 41.392 42.059 -0.221 0.000 0.896 28 L HN 0.458 nan 8.230 nan 0.000 0.432 29 A N -0.250 122.667 122.820 0.162 0.000 2.015 29 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 29 A C 2.027 179.700 177.584 0.148 0.000 1.163 29 A CA 1.497 53.689 52.037 0.258 0.000 0.646 29 A CB -0.404 18.749 19.000 0.255 0.000 0.806 29 A HN 0.409 nan 8.150 nan 0.000 0.448 30 N N 0.286 119.056 118.700 0.117 0.000 2.173 30 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 30 N C 1.920 177.494 175.510 0.107 0.000 1.025 30 N CA 1.417 54.527 53.050 0.100 0.000 0.852 30 N CB -0.892 37.652 38.487 0.096 0.000 0.998 30 N HN 0.410 nan 8.380 nan 0.000 0.427 31 G N 1.427 110.309 108.800 0.137 0.000 2.442 31 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 31 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 31 G C 1.576 176.545 174.900 0.114 0.000 1.141 31 G CA 0.375 45.559 45.100 0.141 0.000 0.763 31 G HN 0.253 nan 8.290 nan 0.000 0.554 32 L N 0.499 121.794 121.223 0.120 0.000 2.275 32 L HA 0.001 4.341 4.340 -0.000 0.000 0.215 32 L C 2.797 179.706 176.870 0.065 0.000 1.119 32 L CA 0.712 55.603 54.840 0.085 0.000 0.790 32 L CB 0.056 42.162 42.059 0.078 0.000 0.919 32 L HN 0.204 nan 8.230 nan 0.000 0.443 33 S N -0.799 114.942 115.700 0.069 0.000 2.470 33 S HA 0.150 4.620 4.470 -0.000 0.000 0.222 33 S C 1.518 176.149 174.600 0.051 0.000 1.024 33 S CA 0.214 58.445 58.200 0.053 0.000 0.931 33 S CB 0.282 63.512 63.200 0.050 0.000 0.791 33 S HN 0.292 nan 8.310 nan 0.000 0.513 34 L N 0.897 122.154 121.223 0.057 0.000 2.628 34 L HA 0.291 4.631 4.340 -0.000 0.000 0.229 34 L C 1.506 178.405 176.870 0.047 0.000 1.137 34 L CA 0.195 55.064 54.840 0.049 0.000 0.909 34 L CB -0.357 41.730 42.059 0.047 0.000 1.137 34 L HN 0.439 nan 8.230 nan 0.000 0.470 35 G N 1.205 110.039 108.800 0.057 0.000 2.166 35 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 35 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 35 G C 0.361 175.286 174.900 0.041 0.000 0.986 35 G CA -0.007 45.132 45.100 0.064 0.000 0.683 35 G HN 0.446 nan 8.290 nan 0.000 0.527 36 R N -0.207 120.309 120.500 0.028 0.000 2.235 36 R HA 0.535 4.875 4.340 -0.000 0.000 0.338 36 R C -0.472 175.816 176.300 -0.021 0.000 1.087 36 R CA -0.153 55.930 56.100 -0.029 0.000 0.948 36 R CB 0.375 30.661 30.300 -0.024 0.000 1.099 36 R HN 0.287 nan 8.270 nan 0.000 0.483 37 I N 2.053 122.581 120.570 -0.070 0.000 2.499 37 I HA 0.218 4.388 4.170 -0.000 0.000 0.288 37 I C 0.313 176.355 176.117 -0.126 0.000 1.048 37 I CA -0.717 60.604 61.300 0.035 0.000 1.062 37 I CB 1.602 39.628 38.000 0.042 0.000 1.238 37 I HN 0.372 nan 8.210 nan 0.000 0.426 38 H N 4.284 123.306 119.070 -0.081 0.000 2.546 38 H HA 0.257 4.813 4.556 -0.000 0.000 0.365 38 H C 0.478 175.713 175.328 -0.155 0.000 1.220 38 H CA -0.205 55.644 56.048 -0.332 0.000 1.386 38 H CB 1.085 30.498 29.762 -0.582 0.000 1.510 38 H HN 0.582 nan 8.280 nan 0.000 0.591 39 H N 0.234 119.339 119.070 0.058 0.000 2.421 39 H HA 0.122 4.678 4.556 -0.000 0.000 0.298 39 H C 0.495 175.934 175.328 0.185 0.000 1.087 39 H CA 1.003 57.115 56.048 0.107 0.000 1.330 39 H CB 0.261 30.078 29.762 0.092 0.000 1.388 39 H HN 0.576 nan 8.280 nan 0.000 0.526 40 A N -0.329 122.591 122.820 0.168 0.000 2.547 40 A HA 0.547 4.867 4.320 -0.000 0.000 0.297 40 A C -1.802 175.756 177.584 -0.044 0.000 1.056 40 A CA -0.633 51.523 52.037 0.199 0.000 0.688 40 A CB 1.200 20.313 19.000 0.188 0.000 1.282 40 A HN 0.082 nan 8.150 nan 0.000 0.400 41 Y N 0.750 121.086 120.300 0.060 0.000 2.376 41 Y HA 0.611 5.161 4.550 -0.000 0.000 0.340 41 Y C -0.293 175.479 175.900 -0.213 0.000 0.965 41 Y CA -0.710 57.325 58.100 -0.108 0.000 1.078 41 Y CB 2.226 40.627 38.460 -0.098 0.000 1.193 41 Y HN 0.671 nan 8.280 nan 0.000 0.452 42 L N 4.230 125.352 121.223 -0.168 0.000 2.296 42 L HA 0.649 4.989 4.340 -0.000 0.000 0.286 42 L C -1.837 174.837 176.870 -0.327 0.000 1.023 42 L CA -0.592 54.163 54.840 -0.140 0.000 0.812 42 L CB 0.224 42.248 42.059 -0.058 0.000 1.223 42 L HN 0.380 nan 8.230 nan 0.000 0.421 43 F N 3.286 123.332 119.950 0.161 0.000 2.444 43 F HA 0.687 5.214 4.527 -0.000 0.000 0.342 43 F C 0.342 176.163 175.800 0.036 0.000 1.121 43 F CA -0.293 57.776 58.000 0.116 0.000 0.997 43 F CB 1.990 41.041 39.000 0.085 0.000 1.130 43 F HN 0.586 nan 8.300 nan 0.000 0.454 44 S N 1.268 117.021 115.700 0.087 0.000 2.599 44 S HA 1.019 5.489 4.470 -0.000 0.000 0.294 44 S C -0.414 173.946 174.600 -0.401 0.000 1.094 44 S CA -0.720 57.414 58.200 -0.109 0.000 0.931 44 S CB 2.101 65.241 63.200 -0.100 0.000 1.093 44 S HN 1.248 nan 8.310 nan 0.000 0.488 45 G N 0.518 109.135 108.800 -0.305 0.000 2.350 45 G HA2 0.394 4.354 3.960 -0.000 0.000 0.305 45 G HA3 0.394 4.354 3.960 -0.000 0.000 0.305 45 G C -0.817 174.059 174.900 -0.041 0.000 1.479 45 G CA -0.759 44.189 45.100 -0.253 0.000 0.949 45 G HN 0.841 nan 8.290 nan 0.000 0.651 46 T N 0.424 114.990 114.554 0.020 0.000 2.903 46 T HA 0.370 4.720 4.350 -0.000 0.000 0.314 46 T C 1.100 175.818 174.700 0.030 0.000 1.078 46 T CA 0.218 62.340 62.100 0.037 0.000 1.114 46 T CB 0.544 69.440 68.868 0.047 0.000 0.987 46 T HN 0.937 nan 8.240 nan 0.000 0.548 47 R N 1.039 121.562 120.500 0.038 0.000 2.480 47 R HA 0.376 4.716 4.340 -0.000 0.000 0.303 47 R C 1.047 177.363 176.300 0.028 0.000 0.985 47 R CA 0.945 57.067 56.100 0.037 0.000 1.051 47 R CB -0.503 29.824 30.300 0.044 0.000 0.935 47 R HN 0.865 nan 8.270 nan 0.000 0.410 48 G N 2.243 111.056 108.800 0.022 0.000 3.898 48 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.196 48 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.196 48 G C -0.213 174.693 174.900 0.008 0.000 1.322 48 G CA -0.227 44.882 45.100 0.016 0.000 0.942 48 G HN 0.555 nan 8.290 nan 0.000 0.400 49 V N 2.079 121.997 119.914 0.007 0.000 3.332 49 V HA 0.429 4.549 4.120 -0.000 0.000 0.305 49 V C 1.719 177.803 176.094 -0.018 0.000 1.114 49 V CA 0.778 63.076 62.300 -0.004 0.000 1.194 49 V CB 1.095 32.916 31.823 -0.003 0.000 1.027 49 V HN 0.996 nan 8.190 nan 0.000 0.492 50 G N 1.092 109.870 108.800 -0.037 0.000 3.213 50 G HA2 0.138 4.098 3.960 -0.000 0.000 0.263 50 G HA3 0.138 4.098 3.960 -0.000 0.000 0.263 50 G C 0.724 175.560 174.900 -0.108 0.000 0.829 50 G CA -0.342 44.721 45.100 -0.060 0.000 1.983 50 G HN 0.810 nan 8.290 nan 0.000 0.616 51 K N 0.259 120.615 120.400 -0.074 0.000 1.967 51 K HA -0.125 4.195 4.320 -0.000 0.000 0.212 51 K C 2.986 179.485 176.600 -0.168 0.000 1.044 51 K CA 1.844 58.077 56.287 -0.090 0.000 0.942 51 K CB -0.240 32.279 32.500 0.032 0.000 0.726 51 K HN 0.468 nan 8.250 nan 0.000 0.440 52 T N -0.816 113.699 114.554 -0.065 0.000 2.759 52 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 52 T C 2.146 176.787 174.700 -0.099 0.000 1.042 52 T CA 2.053 64.122 62.100 -0.052 0.000 1.140 52 T CB -0.285 68.582 68.868 -0.002 0.000 0.864 52 T HN 0.094 nan 8.240 nan 0.000 0.455 53 S N -0.008 115.631 115.700 -0.101 0.000 2.402 53 S HA 0.102 4.572 4.470 -0.000 0.000 0.229 53 S C 1.937 176.459 174.600 -0.129 0.000 1.021 53 S CA 0.938 59.084 58.200 -0.090 0.000 0.974 53 S CB -0.505 62.660 63.200 -0.058 0.000 0.800 53 S HN 0.646 nan 8.310 nan 0.000 0.484 54 I N 1.119 121.544 120.570 -0.242 0.000 2.406 54 I HA -0.036 4.134 4.170 -0.000 0.000 0.249 54 I C 2.689 178.611 176.117 -0.324 0.000 1.122 54 I CA 0.831 61.953 61.300 -0.297 0.000 1.431 54 I CB -0.507 37.182 38.000 -0.519 0.000 1.087 54 I HN 0.312 nan 8.210 nan 0.000 0.424 55 A N 1.064 123.616 122.820 -0.447 0.000 1.940 55 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 55 A C 2.407 179.933 177.584 -0.096 0.000 1.176 55 A CA 1.436 53.315 52.037 -0.264 0.000 0.631 55 A CB -0.549 18.386 19.000 -0.109 0.000 0.814 55 A HN 0.285 nan 8.150 nan 0.000 0.446 56 R N -0.618 119.830 120.500 -0.087 0.000 2.082 56 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 56 R C 2.072 178.323 176.300 -0.082 0.000 1.136 56 R CA 1.769 57.829 56.100 -0.067 0.000 0.935 56 R CB -0.680 29.582 30.300 -0.063 0.000 0.842 56 R HN 0.552 nan 8.270 nan 0.000 0.430 57 L N 0.781 121.969 121.223 -0.058 0.000 2.189 57 L HA -0.211 4.129 4.340 -0.000 0.000 0.214 57 L C 2.394 179.133 176.870 -0.218 0.000 1.097 57 L CA 0.614 55.389 54.840 -0.109 0.000 0.764 57 L CB -0.389 41.707 42.059 0.061 0.000 0.900 57 L HN 0.230 nan 8.230 nan 0.000 0.436 58 L N -0.344 120.861 121.223 -0.029 0.000 2.209 58 L HA 0.066 4.406 4.340 -0.000 0.000 0.207 58 L C 2.535 179.353 176.870 -0.088 0.000 1.094 58 L CA 1.627 56.454 54.840 -0.022 0.000 0.790 58 L CB -0.446 41.642 42.059 0.047 0.000 0.932 58 L HN 0.070 nan 8.230 nan 0.000 0.447 59 A N -0.573 122.204 122.820 -0.071 0.000 1.929 59 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 59 A C 2.396 179.918 177.584 -0.104 0.000 1.176 59 A CA 1.562 53.568 52.037 -0.051 0.000 0.628 59 A CB -0.489 18.496 19.000 -0.024 0.000 0.816 59 A HN 0.437 nan 8.150 nan 0.000 0.444 60 K N -0.483 119.821 120.400 -0.159 0.000 2.147 60 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 60 K C 1.937 178.410 176.600 -0.212 0.000 1.049 60 K CA 1.260 57.419 56.287 -0.213 0.000 0.936 60 K CB -0.397 31.973 32.500 -0.217 0.000 0.722 60 K HN 0.399 nan 8.250 nan 0.000 0.446 61 G N 0.899 109.553 108.800 -0.242 0.000 2.394 61 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.214 61 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.214 61 G C 1.386 176.227 174.900 -0.099 0.000 1.176 61 G CA 0.399 45.355 45.100 -0.240 0.000 0.786 61 G HN 0.199 nan 8.290 nan 0.000 0.533 62 L N 0.437 121.632 121.223 -0.046 0.000 2.265 62 L HA 0.005 4.345 4.340 -0.000 0.000 0.215 62 L C 2.089 179.080 176.870 0.202 0.000 1.117 62 L CA 0.635 55.527 54.840 0.086 0.000 0.782 62 L CB -0.081 41.992 42.059 0.024 0.000 0.914 62 L HN 0.164 nan 8.230 nan 0.000 0.441 63 N N -1.616 117.120 118.700 0.060 0.000 2.273 63 N HA 0.021 4.761 4.740 -0.000 0.000 0.192 63 N C 0.405 175.888 175.510 -0.046 0.000 1.132 63 N CA -0.039 53.032 53.050 0.036 0.000 0.887 63 N CB 0.183 38.651 38.487 -0.031 0.000 1.048 63 N HN 0.172 nan 8.380 nan 0.000 0.490 64 C N 2.618 121.865 119.300 -0.088 0.000 2.378 64 C HA -0.057 4.403 4.460 -0.000 0.000 0.395 64 C C 1.867 176.829 174.990 -0.046 0.000 1.476 64 C CA 0.126 59.087 59.018 -0.094 0.000 1.541 64 C CB -0.417 27.263 27.740 -0.100 0.000 2.524 64 C HN 0.458 nan 8.230 nan 0.000 0.595 65 E N 2.130 122.305 120.200 -0.041 0.000 2.331 65 E HA -0.143 4.207 4.350 -0.000 0.000 0.199 65 E C 1.939 178.529 176.600 -0.017 0.000 1.008 65 E CA 1.712 58.102 56.400 -0.017 0.000 0.843 65 E CB 0.067 29.760 29.700 -0.012 0.000 0.761 65 E HN 0.891 nan 8.360 nan 0.000 0.507 66 T N -0.186 114.352 114.554 -0.027 0.000 2.867 66 T HA 0.054 4.404 4.350 -0.000 0.000 0.268 66 T C 0.720 175.412 174.700 -0.013 0.000 1.057 66 T CA 0.930 63.016 62.100 -0.022 0.000 1.136 66 T CB 0.180 69.028 68.868 -0.032 0.000 0.874 66 T HN 0.426 nan 8.240 nan 0.000 0.466 67 G N -0.007 108.788 108.800 -0.009 0.000 2.352 67 G HA2 0.273 4.233 3.960 -0.000 0.000 0.283 67 G HA3 0.273 4.233 3.960 -0.000 0.000 0.283 67 G C -1.695 173.218 174.900 0.021 0.000 1.308 67 G CA -1.140 43.965 45.100 0.009 0.000 0.892 67 G HN 0.226 nan 8.290 nan 0.000 0.504 68 I N 1.717 122.316 120.570 0.048 0.000 2.352 68 I HA 0.479 4.649 4.170 -0.000 0.000 0.290 68 I C 0.161 176.289 176.117 0.019 0.000 1.036 68 I CA 0.111 61.450 61.300 0.066 0.000 1.336 68 I CB 1.069 39.144 38.000 0.125 0.000 1.407 68 I HN 0.459 nan 8.210 nan 0.000 0.497 69 T N 3.863 118.403 114.554 -0.024 0.000 2.868 69 T HA 0.385 4.735 4.350 -0.000 0.000 0.306 69 T C 0.555 175.188 174.700 -0.112 0.000 1.224 69 T CA -0.487 61.584 62.100 -0.050 0.000 1.012 69 T CB 1.981 70.813 68.868 -0.059 0.000 1.221 69 T HN 0.573 nan 8.240 nan 0.000 0.499 70 A N 0.736 123.506 122.820 -0.084 0.000 2.178 70 A HA 0.274 4.594 4.320 -0.000 0.000 0.211 70 A C 1.027 178.485 177.584 -0.209 0.000 1.157 70 A CA 0.428 52.392 52.037 -0.120 0.000 0.780 70 A CB -0.228 18.806 19.000 0.057 0.000 0.828 70 A HN 0.763 nan 8.150 nan 0.000 0.476 71 T N 0.697 115.165 114.554 -0.143 0.000 3.331 71 T HA 0.502 4.852 4.350 -0.000 0.000 0.381 71 T C -3.072 171.547 174.700 -0.134 0.000 1.656 71 T CA -1.636 60.388 62.100 -0.127 0.000 1.453 71 T CB 0.865 69.697 68.868 -0.061 0.000 1.066 71 T HN 0.012 nan 8.240 nan 0.000 0.655 72 P HA 0.308 nan 4.420 nan 0.000 0.276 72 P C 0.526 177.753 177.300 -0.122 0.000 1.230 72 P CA -0.747 62.259 63.100 -0.157 0.000 0.776 72 P CB 0.284 31.861 31.700 -0.204 0.000 0.888 73 C N 1.167 120.409 119.300 -0.096 0.000 2.593 73 C HA 0.538 4.998 4.460 -0.000 0.000 0.409 73 C C 1.762 176.698 174.990 -0.090 0.000 1.304 73 C CA 0.006 58.977 59.018 -0.079 0.000 2.007 73 C CB -0.198 27.504 27.740 -0.063 0.000 2.614 73 C HN 0.765 nan 8.230 nan 0.000 0.585 74 G N 1.788 110.537 108.800 -0.085 0.000 3.124 74 G HA2 0.202 4.162 3.960 -0.000 0.000 0.212 74 G HA3 0.202 4.162 3.960 -0.000 0.000 0.212 74 G C 0.902 175.753 174.900 -0.080 0.000 1.181 74 G CA 0.784 45.830 45.100 -0.091 0.000 0.803 74 G HN 1.335 nan 8.290 nan 0.000 0.529 75 V N -1.237 118.635 119.914 -0.069 0.000 2.922 75 V HA 0.109 4.229 4.120 -0.000 0.000 0.242 75 V C 1.982 178.045 176.094 -0.052 0.000 1.094 75 V CA -0.040 62.225 62.300 -0.058 0.000 1.106 75 V CB -1.316 30.479 31.823 -0.047 0.000 0.799 75 V HN 0.411 nan 8.190 nan 0.000 0.474 76 C N 1.597 120.864 119.300 -0.054 0.000 2.801 76 C HA 0.184 4.644 4.460 -0.000 0.000 0.376 76 C C 1.792 176.755 174.990 -0.045 0.000 1.323 76 C CA 0.489 59.481 59.018 -0.044 0.000 2.170 76 C CB -0.080 27.634 27.740 -0.043 0.000 2.650 76 C HN 0.601 nan 8.230 nan 0.000 0.736 77 D N 1.062 121.450 120.400 -0.020 0.000 2.178 77 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 77 D C 1.753 178.047 176.300 -0.011 0.000 0.974 77 D CA 1.481 55.482 54.000 0.001 0.000 0.841 77 D CB -0.371 40.451 40.800 0.036 0.000 0.953 77 D HN 0.647 nan 8.370 nan 0.000 0.478 78 N N 0.562 119.231 118.700 -0.051 0.000 2.058 78 N HA -0.118 4.622 4.740 -0.000 0.000 0.191 78 N C 2.026 177.326 175.510 -0.350 0.000 1.037 78 N CA 0.803 53.704 53.050 -0.248 0.000 0.848 78 N CB -0.855 37.485 38.487 -0.245 0.000 1.021 78 N HN 0.189 nan 8.380 nan 0.000 0.422 79 C N 0.827 119.991 119.300 -0.226 0.000 2.413 79 C HA -0.062 4.398 4.460 -0.000 0.000 0.276 79 C C 2.659 177.553 174.990 -0.160 0.000 1.236 79 C CA 0.466 59.363 59.018 -0.201 0.000 1.735 79 C CB -0.998 26.653 27.740 -0.148 0.000 2.031 79 C HN 0.459 nan 8.230 nan 0.000 0.474 80 R N 0.513 120.946 120.500 -0.113 0.000 2.081 80 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 80 R C 2.160 178.422 176.300 -0.064 0.000 1.131 80 R CA 1.527 57.580 56.100 -0.079 0.000 0.960 80 R CB -0.277 29.991 30.300 -0.053 0.000 0.856 80 R HN 0.666 nan 8.270 nan 0.000 0.436 81 E N 0.294 120.465 120.200 -0.047 0.000 2.072 81 E HA -0.139 4.211 4.350 -0.000 0.000 0.190 81 E C 2.005 178.594 176.600 -0.017 0.000 0.982 81 E CA 0.989 57.402 56.400 0.022 0.000 0.803 81 E CB -0.034 29.779 29.700 0.188 0.000 0.755 81 E HN 0.315 nan 8.360 nan 0.000 0.453 82 I N 1.111 121.582 120.570 -0.164 0.000 2.286 82 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 82 I C 2.481 178.542 176.117 -0.094 0.000 1.115 82 I CA 0.977 62.177 61.300 -0.167 0.000 1.392 82 I CB -0.125 37.684 38.000 -0.317 0.000 1.065 82 I HN 0.059 nan 8.210 nan 0.000 0.418 83 E N 1.218 121.358 120.200 -0.099 0.000 2.106 83 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 83 E C 2.052 178.623 176.600 -0.049 0.000 0.984 83 E CA 1.449 57.803 56.400 -0.075 0.000 0.806 83 E CB -0.084 29.566 29.700 -0.084 0.000 0.750 83 E HN 0.477 nan 8.360 nan 0.000 0.458 84 Q N -1.012 118.766 119.800 -0.037 0.000 2.472 84 Q HA 0.138 4.478 4.340 -0.000 0.000 0.208 84 Q C 0.681 176.678 176.000 -0.005 0.000 0.958 84 Q CA 0.469 56.258 55.803 -0.022 0.000 0.932 84 Q CB 0.342 29.071 28.738 -0.016 0.000 1.007 84 Q HN 0.390 nan 8.270 nan 0.000 0.508 85 G N 1.971 110.772 108.800 0.001 0.000 2.272 85 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.280 85 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.280 85 G C -0.019 174.903 174.900 0.038 0.000 1.067 85 G CA 0.118 45.229 45.100 0.019 0.000 0.902 85 G HN 0.303 nan 8.290 nan 0.000 0.500 86 R N -0.940 119.599 120.500 0.064 0.000 2.647 86 R HA 0.316 4.656 4.340 -0.000 0.000 0.295 86 R C -0.636 175.746 176.300 0.137 0.000 1.267 86 R CA -0.567 55.574 56.100 0.067 0.000 1.386 86 R CB 0.496 30.819 30.300 0.038 0.000 1.309 86 R HN 0.225 nan 8.270 nan 0.000 0.692 87 F N 0.408 120.337 119.950 -0.036 0.000 2.422 87 F HA 0.205 4.732 4.527 -0.000 0.000 0.333 87 F C 1.474 177.248 175.800 -0.043 0.000 1.095 87 F CA -0.902 57.076 58.000 -0.036 0.000 1.038 87 F CB 1.233 40.213 39.000 -0.034 0.000 1.156 87 F HN -0.121 nan 8.300 nan 0.000 0.483 88 V N 2.174 121.729 119.914 -0.599 0.000 2.252 88 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 88 V C 1.519 177.375 176.094 -0.396 0.000 1.056 88 V CA 2.332 64.353 62.300 -0.464 0.000 1.022 88 V CB -0.634 30.881 31.823 -0.514 0.000 0.641 88 V HN 0.739 nan 8.190 nan 0.000 0.445 89 D N 0.054 120.083 120.400 -0.619 0.000 2.347 89 D HA 0.074 4.713 4.640 -0.000 0.000 0.213 89 D C 0.892 177.215 176.300 0.037 0.000 0.985 89 D CA 0.287 54.159 54.000 -0.214 0.000 0.879 89 D CB 0.323 41.043 40.800 -0.134 0.000 0.919 89 D HN 0.344 nan 8.370 nan 0.000 0.526 90 L N 2.245 123.602 121.223 0.223 0.000 2.389 90 L HA 0.259 4.599 4.340 -0.000 0.000 0.265 90 L C -0.349 176.510 176.870 -0.018 0.000 1.167 90 L CA -0.259 54.668 54.840 0.146 0.000 1.045 90 L CB -0.443 41.742 42.059 0.209 0.000 1.351 90 L HN -0.156 nan 8.230 nan 0.000 0.419 91 I N 3.929 124.383 120.570 -0.193 0.000 2.436 91 I HA 0.112 4.282 4.170 -0.000 0.000 0.289 91 I C 0.155 176.183 176.117 -0.149 0.000 1.083 91 I CA 0.092 61.234 61.300 -0.263 0.000 1.372 91 I CB 0.338 37.974 38.000 -0.606 0.000 1.408 91 I HN 0.529 nan 8.210 nan 0.000 0.516 92 E N 7.096 127.267 120.200 -0.049 0.000 2.129 92 E HA 0.534 4.884 4.350 -0.000 0.000 0.268 92 E C -0.940 175.683 176.600 0.039 0.000 0.900 92 E CA -0.601 55.808 56.400 0.014 0.000 0.755 92 E CB 2.004 31.718 29.700 0.023 0.000 1.117 92 E HN 0.390 nan 8.360 nan 0.000 0.410 93 I N 1.486 122.103 120.570 0.078 0.000 2.863 93 I HA 0.309 4.479 4.170 -0.000 0.000 0.311 93 I C -0.429 175.738 176.117 0.083 0.000 1.026 93 I CA -0.557 60.796 61.300 0.089 0.000 1.077 93 I CB 1.595 39.675 38.000 0.132 0.000 1.262 93 I HN 0.381 nan 8.210 nan 0.000 0.461 94 D N 2.081 122.522 120.400 0.069 0.000 2.328 94 D HA 0.472 5.112 4.640 -0.000 0.000 0.243 94 D C 0.395 176.722 176.300 0.046 0.000 1.324 94 D CA -0.357 53.677 54.000 0.056 0.000 0.966 94 D CB 1.274 42.101 40.800 0.044 0.000 1.324 94 D HN 0.584 nan 8.370 nan 0.000 0.549 95 A N 2.961 125.807 122.820 0.044 0.000 2.186 95 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 95 A C 2.161 179.747 177.584 0.003 0.000 1.159 95 A CA 1.698 53.753 52.037 0.030 0.000 0.680 95 A CB -0.436 18.578 19.000 0.024 0.000 0.787 95 A HN 0.637 nan 8.150 nan 0.000 0.467 96 A N 0.105 122.923 122.820 -0.004 0.000 1.933 96 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 96 A C 1.806 179.395 177.584 0.008 0.000 1.175 96 A CA 1.434 53.467 52.037 -0.008 0.000 0.628 96 A CB -0.792 18.209 19.000 0.001 0.000 0.814 96 A HN 0.947 nan 8.150 nan 0.000 0.444 97 S N -1.494 114.217 115.700 0.018 0.000 2.632 97 S HA 0.426 4.896 4.470 -0.000 0.000 0.267 97 S C 0.633 175.246 174.600 0.022 0.000 1.276 97 S CA -0.434 57.778 58.200 0.020 0.000 0.998 97 S CB 0.959 64.172 63.200 0.022 0.000 0.953 97 S HN 0.418 nan 8.310 nan 0.000 0.547 98 R N 0.083 120.595 120.500 0.020 0.000 2.334 98 R HA 0.150 4.490 4.340 -0.000 0.000 0.212 98 R C 0.413 176.724 176.300 0.019 0.000 0.897 98 R CA 0.343 56.455 56.100 0.020 0.000 1.056 98 R CB 0.033 30.343 30.300 0.017 0.000 1.046 98 R HN 0.643 nan 8.270 nan 0.000 0.513 99 T N 1.012 115.578 114.554 0.019 0.000 3.243 99 T HA 0.174 4.524 4.350 -0.000 0.000 0.264 99 T C 0.038 174.750 174.700 0.019 0.000 1.000 99 T CA -0.107 62.003 62.100 0.017 0.000 0.901 99 T CB 0.210 69.087 68.868 0.015 0.000 1.083 99 T HN 0.024 nan 8.240 nan 0.000 0.559 100 K N 1.014 121.429 120.400 0.024 0.000 2.382 100 K HA 0.223 4.543 4.320 -0.000 0.000 0.275 100 K C 1.088 177.703 176.600 0.024 0.000 1.009 100 K CA -0.413 55.891 56.287 0.027 0.000 0.970 100 K CB 1.042 33.564 32.500 0.036 0.000 0.934 100 K HN -0.107 nan 8.250 nan 0.000 0.479 101 V N 2.123 122.051 119.914 0.022 0.000 2.214 101 V HA -0.239 3.881 4.120 -0.000 0.000 0.244 101 V C 0.600 176.707 176.094 0.023 0.000 1.045 101 V CA 1.636 63.947 62.300 0.019 0.000 0.993 101 V CB -0.258 31.575 31.823 0.015 0.000 0.633 101 V HN 0.746 nan 8.190 nan 0.000 0.449 102 E N 0.615 120.833 120.200 0.029 0.000 2.113 102 E HA 0.262 4.612 4.350 -0.000 0.000 0.273 102 E C -1.261 175.369 176.600 0.050 0.000 0.924 102 E CA -0.541 55.881 56.400 0.037 0.000 0.764 102 E CB 1.091 30.815 29.700 0.040 0.000 1.104 102 E HN 0.408 nan 8.360 nan 0.000 0.406 103 D N 1.809 122.239 120.400 0.050 0.000 2.341 103 D HA 0.006 4.646 4.640 -0.000 0.000 0.245 103 D C 1.175 177.525 176.300 0.084 0.000 1.106 103 D CA -0.021 54.017 54.000 0.063 0.000 0.905 103 D CB 1.060 41.893 40.800 0.055 0.000 1.202 103 D HN 0.336 nan 8.370 nan 0.000 0.426 104 T N 1.041 115.655 114.554 0.100 0.000 2.780 104 T HA -0.369 3.981 4.350 -0.000 0.000 0.255 104 T C 1.765 176.537 174.700 0.120 0.000 1.065 104 T CA 2.090 64.266 62.100 0.125 0.000 1.155 104 T CB -0.230 68.713 68.868 0.124 0.000 0.837 104 T HN 0.465 nan 8.240 nan 0.000 0.479 105 R N 0.882 121.442 120.500 0.100 0.000 2.096 105 R HA -0.168 4.172 4.340 -0.000 0.000 0.240 105 R C 2.110 178.462 176.300 0.087 0.000 1.139 105 R CA 2.147 58.299 56.100 0.087 0.000 0.952 105 R CB -0.311 30.039 30.300 0.083 0.000 0.854 105 R HN 0.458 nan 8.270 nan 0.000 0.436 106 D N 0.388 120.840 120.400 0.087 0.000 2.097 106 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 106 D C 2.038 178.409 176.300 0.119 0.000 0.984 106 D CA 1.159 55.212 54.000 0.088 0.000 0.826 106 D CB -0.212 40.631 40.800 0.072 0.000 0.973 106 D HN 0.290 nan 8.370 nan 0.000 0.460 107 L N 0.434 121.741 121.223 0.140 0.000 2.093 107 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 107 L C 2.427 179.464 176.870 0.279 0.000 1.085 107 L CA 0.574 55.535 54.840 0.200 0.000 0.755 107 L CB -0.263 41.919 42.059 0.205 0.000 0.904 107 L HN 0.008 nan 8.230 nan 0.000 0.435 108 L N -0.889 120.458 121.223 0.207 0.000 2.478 108 L HA -0.129 4.211 4.340 -0.000 0.000 0.223 108 L C 2.115 179.036 176.870 0.085 0.000 1.140 108 L CA 0.476 55.394 54.840 0.130 0.000 0.842 108 L CB -0.527 41.575 42.059 0.071 0.000 0.953 108 L HN 0.343 nan 8.230 nan 0.000 0.452 109 D N 1.018 121.484 120.400 0.110 0.000 2.097 109 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 109 D C 1.151 177.515 176.300 0.106 0.000 0.989 109 D CA 1.048 55.102 54.000 0.089 0.000 0.827 109 D CB 0.183 41.043 40.800 0.099 0.000 0.966 109 D HN 0.322 nan 8.370 nan 0.000 0.456 110 N N 0.623 119.443 118.700 0.201 0.000 2.421 110 N HA -0.045 4.695 4.740 -0.000 0.000 0.201 110 N C 1.642 177.303 175.510 0.252 0.000 1.198 110 N CA -0.046 53.197 53.050 0.323 0.000 0.838 110 N CB 0.632 39.424 38.487 0.509 0.000 1.011 110 N HN 0.109 nan 8.380 nan 0.000 0.463 111 V N 1.316 121.305 119.914 0.125 0.000 2.317 111 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 111 V C 2.050 178.196 176.094 0.086 0.000 1.065 111 V CA 1.730 64.063 62.300 0.055 0.000 1.049 111 V CB -0.306 31.462 31.823 -0.091 0.000 0.651 111 V HN 0.445 nan 8.190 nan 0.000 0.450 112 Q N -1.854 117.942 119.800 -0.007 0.000 2.482 112 Q HA -0.025 4.315 4.340 -0.000 0.000 0.209 112 Q C -0.114 175.943 176.000 0.095 0.000 0.961 112 Q CA 0.184 56.009 55.803 0.037 0.000 0.945 112 Q CB -0.050 28.644 28.738 -0.073 0.000 1.012 112 Q HN 0.649 nan 8.270 nan 0.000 0.515 113 Y N 0.876 121.307 120.300 0.217 0.000 2.393 113 Y HA 0.222 4.772 4.550 -0.000 0.000 0.338 113 Y C 0.748 176.701 175.900 0.087 0.000 1.029 113 Y CA -0.981 57.183 58.100 0.108 0.000 1.239 113 Y CB 0.602 39.110 38.460 0.080 0.000 1.170 113 Y HN 0.057 nan 8.280 nan 0.000 0.515 114 A N 7.343 130.138 122.820 -0.043 0.000 2.507 114 A HA 0.155 4.475 4.320 -0.000 0.000 0.235 114 A C -2.128 175.437 177.584 -0.033 0.000 1.070 114 A CA -1.198 50.627 52.037 -0.352 0.000 0.768 114 A CB -0.477 18.314 19.000 -0.348 0.000 1.011 114 A HN 0.530 nan 8.150 nan 0.000 0.502 115 P HA 0.172 nan 4.420 nan 0.000 0.269 115 P C 0.300 177.567 177.300 -0.055 0.000 1.215 115 P CA 0.526 63.633 63.100 0.012 0.000 0.780 115 P CB 1.051 32.773 31.700 0.038 0.000 0.898 116 A N 2.084 124.848 122.820 -0.094 0.000 2.178 116 A HA 0.087 4.407 4.320 -0.000 0.000 0.211 116 A C 1.089 178.598 177.584 -0.125 0.000 1.157 116 A CA 0.854 52.823 52.037 -0.114 0.000 0.780 116 A CB -0.393 18.524 19.000 -0.139 0.000 0.828 116 A HN 0.564 nan 8.150 nan 0.000 0.476 117 R N -2.252 118.163 120.500 -0.141 0.000 2.604 117 R HA 0.481 4.821 4.340 -0.000 0.000 0.261 117 R C -0.253 176.059 176.300 0.020 0.000 1.080 117 R CA 0.541 56.583 56.100 -0.096 0.000 0.917 117 R CB 0.444 30.628 30.300 -0.193 0.000 1.252 117 R HN 1.372 nan 8.270 nan 0.000 0.456 118 G N 2.662 111.520 108.800 0.097 0.000 2.757 118 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.686 118 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.686 118 G C 0.169 175.083 174.900 0.023 0.000 1.452 118 G CA 0.040 45.230 45.100 0.150 0.000 0.922 118 G HN 0.767 nan 8.290 nan 0.000 0.588 119 R N -0.038 120.414 120.500 -0.080 0.000 2.119 119 R HA -0.078 4.262 4.340 -0.000 0.000 0.246 119 R C 0.751 176.645 176.300 -0.676 0.000 1.146 119 R CA 1.950 57.795 56.100 -0.424 0.000 0.962 119 R CB -0.129 29.824 30.300 -0.578 0.000 0.863 119 R HN 0.410 nan 8.270 nan 0.000 0.442 120 F N -0.936 119.094 119.950 0.134 0.000 2.603 120 F HA 0.393 4.920 4.527 -0.000 0.000 0.317 120 F C -0.102 175.790 175.800 0.153 0.000 1.066 120 F CA -1.238 56.849 58.000 0.146 0.000 0.941 120 F CB 1.507 40.580 39.000 0.122 0.000 1.291 120 F HN -0.365 nan 8.300 nan 0.000 0.472 121 K N 1.839 122.458 120.400 0.366 0.000 2.281 121 K HA 0.629 4.949 4.320 -0.000 0.000 0.272 121 K C -1.622 175.101 176.600 0.205 0.000 1.048 121 K CA -0.331 56.101 56.287 0.242 0.000 0.898 121 K CB 1.038 33.723 32.500 0.308 0.000 1.128 121 K HN 0.499 nan 8.250 nan 0.000 0.460 122 V N 5.604 125.589 119.914 0.119 0.000 2.370 122 V HA 0.248 4.368 4.120 -0.000 0.000 0.283 122 V C -0.967 175.096 176.094 -0.051 0.000 1.023 122 V CA -0.804 61.541 62.300 0.075 0.000 0.857 122 V CB 0.797 32.681 31.823 0.101 0.000 0.985 122 V HN 0.591 nan 8.190 nan 0.000 0.443 123 Y N 5.227 125.436 120.300 -0.152 0.000 2.367 123 Y HA 0.547 5.097 4.550 -0.000 0.000 0.342 123 Y C -0.082 175.851 175.900 0.054 0.000 0.979 123 Y CA -0.789 57.267 58.100 -0.074 0.000 1.161 123 Y CB 1.492 39.831 38.460 -0.201 0.000 1.155 123 Y HN 0.495 nan 8.280 nan 0.000 0.503 124 L N 6.507 127.816 121.223 0.144 0.000 2.294 124 L HA 0.605 4.945 4.340 -0.000 0.000 0.283 124 L C -1.125 175.848 176.870 0.173 0.000 1.015 124 L CA -0.870 54.069 54.840 0.165 0.000 0.831 124 L CB 0.216 42.336 42.059 0.102 0.000 1.217 124 L HN 0.456 nan 8.230 nan 0.000 0.420 125 I N 4.252 124.951 120.570 0.215 0.000 2.382 125 I HA 0.344 4.514 4.170 -0.000 0.000 0.286 125 I C -0.554 175.661 176.117 0.163 0.000 1.002 125 I CA -0.719 60.694 61.300 0.188 0.000 1.135 125 I CB 1.635 39.765 38.000 0.218 0.000 1.288 125 I HN 0.474 nan 8.210 nan 0.000 0.448 126 D N 6.496 126.970 120.400 0.124 0.000 2.256 126 D HA 0.106 4.746 4.640 -0.000 0.000 0.250 126 D C 0.241 176.592 176.300 0.084 0.000 1.093 126 D CA 0.373 54.439 54.000 0.109 0.000 0.882 126 D CB 0.930 41.779 40.800 0.082 0.000 1.185 126 D HN 0.411 nan 8.370 nan 0.000 0.437 127 E N 2.016 122.275 120.200 0.099 0.000 2.252 127 E HA -0.140 4.210 4.350 -0.000 0.000 0.218 127 E C 1.482 178.053 176.600 -0.048 0.000 1.253 127 E CA 0.643 57.052 56.400 0.015 0.000 0.705 127 E CB -1.959 27.675 29.700 -0.110 0.000 1.172 127 E HN 0.426 nan 8.360 nan 0.000 0.369 128 V N -0.793 119.190 119.914 0.115 0.000 2.453 128 V HA -0.333 3.787 4.120 -0.000 0.000 0.252 128 V C 2.393 178.594 176.094 0.179 0.000 1.068 128 V CA 2.331 64.727 62.300 0.159 0.000 1.070 128 V CB -1.047 30.901 31.823 0.209 0.000 0.664 128 V HN 0.683 nan 8.190 nan 0.000 0.461 129 H N -0.554 118.602 119.070 0.143 0.000 2.568 129 H HA 0.023 4.579 4.556 -0.000 0.000 0.281 129 H C 1.554 176.908 175.328 0.042 0.000 1.028 129 H CA 1.299 57.396 56.048 0.081 0.000 1.199 129 H CB -0.205 29.586 29.762 0.048 0.000 1.352 129 H HN 0.406 nan 8.280 nan 0.000 0.605 130 M N 0.806 120.220 119.600 -0.309 0.000 2.337 130 M HA 0.235 4.715 4.480 -0.000 0.000 0.256 130 M C 0.660 176.938 176.300 -0.037 0.000 1.075 130 M CA -0.308 54.865 55.300 -0.210 0.000 1.024 130 M CB 0.287 32.722 32.600 -0.273 0.000 1.429 130 M HN 0.105 nan 8.290 nan 0.000 0.497 131 L N 2.116 123.371 121.223 0.053 0.000 2.485 131 L HA 0.003 4.343 4.340 -0.000 0.000 0.275 131 L C 0.978 177.915 176.870 0.113 0.000 1.207 131 L CA -0.195 54.723 54.840 0.129 0.000 0.855 131 L CB 0.373 42.582 42.059 0.250 0.000 1.114 131 L HN 0.307 nan 8.230 nan 0.000 0.485 132 S N 2.703 118.480 115.700 0.128 0.000 2.572 132 S HA 0.089 4.559 4.470 -0.000 0.000 0.279 132 S C 1.163 175.814 174.600 0.084 0.000 1.341 132 S CA -0.562 57.719 58.200 0.135 0.000 1.043 132 S CB 0.969 64.347 63.200 0.297 0.000 0.887 132 S HN 0.763 nan 8.310 nan 0.000 0.516 133 R N 1.395 121.826 120.500 -0.115 0.000 2.139 133 R HA -0.219 4.121 4.340 -0.000 0.000 0.243 133 R C 1.411 177.637 176.300 -0.124 0.000 1.145 133 R CA 2.154 58.157 56.100 -0.162 0.000 0.976 133 R CB -1.266 28.863 30.300 -0.285 0.000 0.866 133 R HN 0.864 nan 8.270 nan 0.000 0.449 134 H N 1.244 120.361 119.070 0.078 0.000 2.319 134 H HA -0.111 4.445 4.556 -0.000 0.000 0.297 134 H C 2.429 177.802 175.328 0.075 0.000 1.097 134 H CA 2.352 58.438 56.048 0.065 0.000 1.285 134 H CB -0.110 29.681 29.762 0.048 0.000 1.368 134 H HN 0.519 nan 8.280 nan 0.000 0.495 135 S N -0.383 115.437 115.700 0.199 0.000 2.439 135 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 135 S C 1.944 176.609 174.600 0.108 0.000 1.029 135 S CA 0.218 58.500 58.200 0.137 0.000 0.946 135 S CB -0.538 62.743 63.200 0.135 0.000 0.797 135 S HN 0.348 nan 8.310 nan 0.000 0.504 136 F N 3.923 123.874 119.950 0.003 0.000 2.120 136 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 136 F C 2.072 177.847 175.800 -0.041 0.000 1.095 136 F CA 1.718 59.705 58.000 -0.021 0.000 1.249 136 F CB -0.510 38.471 39.000 -0.030 0.000 0.995 136 F HN 0.163 nan 8.300 nan 0.000 0.480 137 N N 0.473 119.249 118.700 0.126 0.000 2.309 137 N HA -0.129 4.611 4.740 -0.000 0.000 0.182 137 N C 1.950 177.414 175.510 -0.077 0.000 1.018 137 N CA 1.079 54.145 53.050 0.026 0.000 0.876 137 N CB -0.420 38.106 38.487 0.066 0.000 0.972 137 N HN 0.433 nan 8.380 nan 0.000 0.434 138 A N 1.082 123.865 122.820 -0.062 0.000 1.930 138 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 138 A C 2.192 179.672 177.584 -0.172 0.000 1.175 138 A CA 0.778 52.769 52.037 -0.076 0.000 0.627 138 A CB -0.473 18.514 19.000 -0.021 0.000 0.815 138 A HN 0.213 nan 8.150 nan 0.000 0.443 139 L N -0.506 120.557 121.223 -0.266 0.000 2.156 139 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 139 L C 2.121 178.702 176.870 -0.481 0.000 1.095 139 L CA 1.324 55.908 54.840 -0.426 0.000 0.770 139 L CB -0.429 41.338 42.059 -0.487 0.000 0.914 139 L HN 0.373 nan 8.230 nan 0.000 0.439 140 L N -0.708 120.254 121.223 -0.435 0.000 2.046 140 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 140 L C 2.546 179.280 176.870 -0.227 0.000 1.077 140 L CA 1.406 56.047 54.840 -0.332 0.000 0.747 140 L CB -0.407 41.517 42.059 -0.224 0.000 0.896 140 L HN 0.279 nan 8.230 nan 0.000 0.432 141 K N -0.861 119.428 120.400 -0.185 0.000 2.103 141 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 141 K C 1.974 178.479 176.600 -0.159 0.000 1.052 141 K CA 1.660 57.866 56.287 -0.136 0.000 0.945 141 K CB -0.190 32.253 32.500 -0.094 0.000 0.722 141 K HN 0.324 nan 8.250 nan 0.000 0.443 142 T N 2.160 116.582 114.554 -0.219 0.000 2.821 142 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 142 T C 1.896 176.442 174.700 -0.257 0.000 1.046 142 T CA 0.918 62.880 62.100 -0.230 0.000 1.139 142 T CB -0.147 68.544 68.868 -0.295 0.000 0.871 142 T HN 0.105 nan 8.240 nan 0.000 0.454 143 L N 0.688 121.707 121.223 -0.339 0.000 2.201 143 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 143 L C 2.654 179.446 176.870 -0.129 0.000 1.105 143 L CA 1.154 55.839 54.840 -0.258 0.000 0.775 143 L CB -0.567 41.316 42.059 -0.293 0.000 0.913 143 L HN 0.351 nan 8.230 nan 0.000 0.440 144 E N 0.362 120.489 120.200 -0.123 0.000 2.106 144 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 144 E C 0.263 176.827 176.600 -0.060 0.000 0.984 144 E CA 0.871 57.227 56.400 -0.074 0.000 0.806 144 E CB 0.133 29.791 29.700 -0.071 0.000 0.750 144 E HN 0.487 nan 8.360 nan 0.000 0.458 145 E N 0.849 120.998 120.200 -0.085 0.000 3.386 145 E HA 0.167 4.517 4.350 -0.000 0.000 0.236 145 E C -2.557 173.972 176.600 -0.119 0.000 1.227 145 E CA -1.366 54.983 56.400 -0.085 0.000 0.970 145 E CB 1.439 31.101 29.700 -0.064 0.000 1.343 145 E HN 0.075 nan 8.360 nan 0.000 0.397 146 P HA 0.238 nan 4.420 nan 0.000 0.292 146 P C -2.484 174.670 177.300 -0.242 0.000 1.287 146 P CA -1.661 61.328 63.100 -0.184 0.000 0.800 146 P CB 0.729 32.324 31.700 -0.175 0.000 0.945 147 P HA 0.097 nan 4.420 nan 0.000 0.268 147 P C 0.791 177.963 177.300 -0.214 0.000 1.204 147 P CA 0.129 63.105 63.100 -0.208 0.000 0.768 147 P CB 1.071 32.572 31.700 -0.330 0.000 0.842 148 E N 0.939 121.107 120.200 -0.053 0.000 2.463 148 E HA -0.215 4.135 4.350 -0.000 0.000 0.201 148 E C 1.076 177.793 176.600 0.195 0.000 1.045 148 E CA 0.747 57.188 56.400 0.069 0.000 0.872 148 E CB -0.210 29.567 29.700 0.129 0.000 0.797 148 E HN 0.651 nan 8.360 nan 0.000 0.538 149 H N -3.108 116.060 119.070 0.162 0.000 2.551 149 H HA 0.283 4.839 4.556 -0.000 0.000 0.271 149 H C -0.048 175.454 175.328 0.289 0.000 0.984 149 H CA -0.400 55.777 56.048 0.214 0.000 1.164 149 H CB 0.221 30.030 29.762 0.078 0.000 1.437 149 H HN -0.161 nan 8.280 nan 0.000 0.550 150 V N 1.279 121.132 119.914 -0.102 0.000 2.715 150 V HA 0.402 4.522 4.120 -0.000 0.000 0.310 150 V C -0.417 175.655 176.094 -0.036 0.000 1.054 150 V CA -1.078 61.179 62.300 -0.072 0.000 0.928 150 V CB 2.086 33.739 31.823 -0.283 0.000 1.007 150 V HN 0.222 nan 8.190 nan 0.000 0.437 151 K N 2.689 123.033 120.400 -0.094 0.000 2.422 151 K HA 0.596 4.916 4.320 -0.000 0.000 0.251 151 K C -1.631 174.862 176.600 -0.179 0.000 0.933 151 K CA -0.340 55.933 56.287 -0.024 0.000 0.798 151 K CB 2.446 34.960 32.500 0.024 0.000 1.238 151 K HN 0.464 nan 8.250 nan 0.000 0.428 152 F N 2.473 122.545 119.950 0.203 0.000 2.402 152 F HA 0.411 4.938 4.527 -0.000 0.000 0.355 152 F C 0.318 176.268 175.800 0.249 0.000 1.123 152 F CA -0.734 57.388 58.000 0.204 0.000 1.021 152 F CB 1.095 40.157 39.000 0.103 0.000 1.160 152 F HN 0.087 nan 8.300 nan 0.000 0.451 153 L N 6.027 127.474 121.223 0.373 0.000 2.335 153 L HA 0.440 4.780 4.340 -0.000 0.000 0.268 153 L C -0.574 176.512 176.870 0.360 0.000 1.037 153 L CA -0.316 54.754 54.840 0.384 0.000 0.895 153 L CB 0.381 42.632 42.059 0.320 0.000 1.266 153 L HN 0.517 nan 8.230 nan 0.000 0.439 154 L N 2.515 123.933 121.223 0.326 0.000 2.399 154 L HA 0.846 5.186 4.340 -0.000 0.000 0.265 154 L C 0.311 177.354 176.870 0.288 0.000 1.089 154 L CA -0.444 54.554 54.840 0.264 0.000 0.802 154 L CB 1.497 43.669 42.059 0.187 0.000 1.180 154 L HN 0.611 nan 8.230 nan 0.000 0.454 155 A N 0.825 123.798 122.820 0.255 0.000 2.547 155 A HA 0.720 5.040 4.320 -0.000 0.000 0.297 155 A C -0.795 176.917 177.584 0.215 0.000 1.056 155 A CA -0.399 51.796 52.037 0.265 0.000 0.688 155 A CB 2.149 21.309 19.000 0.266 0.000 1.282 155 A HN 0.567 nan 8.150 nan 0.000 0.400 156 T N -0.074 114.596 114.554 0.195 0.000 2.923 156 T HA 0.517 4.867 4.350 -0.000 0.000 0.311 156 T C 0.582 175.358 174.700 0.128 0.000 1.183 156 T CA 0.456 62.690 62.100 0.222 0.000 1.020 156 T CB 1.735 70.748 68.868 0.241 0.000 1.165 156 T HN 0.540 nan 8.240 nan 0.000 0.482 157 T N 1.699 116.339 114.554 0.144 0.000 3.035 157 T HA 0.154 4.504 4.350 -0.000 0.000 0.259 157 T C 0.059 174.718 174.700 -0.068 0.000 1.078 157 T CA 0.582 62.714 62.100 0.053 0.000 1.132 157 T CB -0.005 68.935 68.868 0.120 0.000 0.900 157 T HN 0.456 nan 8.240 nan 0.000 0.480 158 D N 0.587 120.815 120.400 -0.287 0.000 2.412 158 D HA 0.294 4.934 4.640 -0.000 0.000 0.276 158 D C -2.068 174.081 176.300 -0.252 0.000 1.196 158 D CA -2.113 51.681 54.000 -0.343 0.000 0.905 158 D CB 1.661 42.081 40.800 -0.634 0.000 1.081 158 D HN 0.031 nan 8.370 nan 0.000 0.502 159 P HA -0.153 nan 4.420 nan 0.000 0.218 159 P C 1.672 178.959 177.300 -0.022 0.000 1.149 159 P CA 0.983 64.076 63.100 -0.013 0.000 0.817 159 P CB 0.341 32.066 31.700 0.042 0.000 0.785 160 Q N 0.959 120.737 119.800 -0.037 0.000 2.077 160 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 160 Q C 1.700 177.676 176.000 -0.040 0.000 0.989 160 Q CA 1.644 57.426 55.803 -0.034 0.000 0.853 160 Q CB -1.367 27.350 28.738 -0.035 0.000 0.907 160 Q HN 0.292 nan 8.270 nan 0.000 0.418 161 K N 0.512 120.872 120.400 -0.068 0.000 2.442 161 K HA 0.003 4.323 4.320 -0.000 0.000 0.200 161 K C 0.677 177.261 176.600 -0.026 0.000 1.045 161 K CA 0.331 56.587 56.287 -0.052 0.000 0.937 161 K CB -0.206 32.255 32.500 -0.064 0.000 0.757 161 K HN 0.225 nan 8.250 nan 0.000 0.474 162 L N 2.071 123.297 121.223 0.005 0.000 2.375 162 L HA 0.232 4.572 4.340 -0.000 0.000 0.271 162 L C -1.922 174.964 176.870 0.027 0.000 1.107 162 L CA -2.183 52.685 54.840 0.046 0.000 0.806 162 L CB 0.403 42.531 42.059 0.115 0.000 1.146 162 L HN -0.063 nan 8.230 nan 0.000 0.447 163 P HA 0.112 nan 4.420 nan 0.000 0.278 163 P C 0.730 178.057 177.300 0.046 0.000 1.258 163 P CA -0.531 62.589 63.100 0.034 0.000 0.811 163 P CB 1.542 33.269 31.700 0.046 0.000 1.063 164 V N 0.982 120.907 119.914 0.018 0.000 2.469 164 V HA -0.237 3.883 4.120 -0.000 0.000 0.251 164 V C 2.599 178.698 176.094 0.007 0.000 1.064 164 V CA 2.802 65.105 62.300 0.004 0.000 1.066 164 V CB -2.121 29.698 31.823 -0.008 0.000 0.667 164 V HN 0.699 nan 8.190 nan 0.000 0.461 165 T N -0.563 114.007 114.554 0.027 0.000 2.685 165 T HA -0.283 4.067 4.350 -0.000 0.000 0.268 165 T C 1.847 176.548 174.700 0.002 0.000 1.034 165 T CA 2.226 64.338 62.100 0.020 0.000 1.149 165 T CB -0.371 68.529 68.868 0.054 0.000 0.860 165 T HN 0.463 nan 8.240 nan 0.000 0.449 166 I N 0.182 120.774 120.570 0.037 0.000 2.494 166 I HA 0.124 4.294 4.170 -0.000 0.000 0.250 166 I C 2.154 178.256 176.117 -0.024 0.000 1.112 166 I CA 0.481 61.778 61.300 -0.005 0.000 1.438 166 I CB 0.028 38.062 38.000 0.056 0.000 1.111 166 I HN 0.161 nan 8.210 nan 0.000 0.431 167 L N 0.405 121.626 121.223 -0.005 0.000 2.131 167 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 167 L C 2.526 179.356 176.870 -0.067 0.000 1.092 167 L CA 1.536 56.355 54.840 -0.035 0.000 0.759 167 L CB -0.849 41.197 42.059 -0.023 0.000 0.903 167 L HN 0.351 nan 8.230 nan 0.000 0.435 168 S N -0.538 115.128 115.700 -0.057 0.000 2.522 168 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 168 S C 1.641 176.190 174.600 -0.086 0.000 0.986 168 S CA 0.302 58.460 58.200 -0.070 0.000 0.929 168 S CB -0.163 63.006 63.200 -0.051 0.000 0.769 168 S HN 0.443 nan 8.310 nan 0.000 0.529 169 R N -0.235 120.212 120.500 -0.087 0.000 2.586 169 R HA 0.431 4.771 4.340 -0.000 0.000 0.336 169 R C -0.829 175.401 176.300 -0.118 0.000 1.060 169 R CA -0.226 55.818 56.100 -0.093 0.000 1.079 169 R CB 0.286 30.537 30.300 -0.082 0.000 1.317 169 R HN 0.337 nan 8.270 nan 0.000 0.568 170 C N -0.125 119.081 119.300 -0.157 0.000 3.171 170 C HA 0.453 4.913 4.460 -0.000 0.000 0.308 170 C C -1.109 173.693 174.990 -0.313 0.000 1.334 170 C CA -1.111 57.783 59.018 -0.207 0.000 1.473 170 C CB 1.760 29.418 27.740 -0.138 0.000 1.866 170 C HN 0.238 nan 8.230 nan 0.000 0.465 171 L N 2.335 123.295 121.223 -0.438 0.000 2.276 171 L HA 0.409 4.749 4.340 -0.000 0.000 0.286 171 L C -0.036 176.567 176.870 -0.445 0.000 1.024 171 L CA 0.444 54.959 54.840 -0.541 0.000 0.826 171 L CB 0.610 42.203 42.059 -0.777 0.000 1.211 171 L HN 0.689 nan 8.230 nan 0.000 0.422 172 Q N 3.835 123.396 119.800 -0.399 0.000 2.340 172 Q HA 0.373 4.713 4.340 -0.000 0.000 0.249 172 Q C -1.440 174.301 176.000 -0.431 0.000 0.957 172 Q CA 0.207 55.836 55.803 -0.290 0.000 0.882 172 Q CB 1.279 29.924 28.738 -0.155 0.000 1.235 172 Q HN 0.499 nan 8.270 nan 0.000 0.439 173 F N 0.929 120.825 119.950 -0.090 0.000 2.671 173 F HA 0.196 4.723 4.527 -0.000 0.000 0.332 173 F C -0.165 175.703 175.800 0.114 0.000 1.189 173 F CA -0.641 57.377 58.000 0.031 0.000 0.988 173 F CB 1.270 40.309 39.000 0.064 0.000 1.258 173 F HN 0.503 nan 8.300 nan 0.000 0.471 174 H N 4.681 123.902 119.070 0.252 0.000 2.487 174 H HA 0.589 5.145 4.556 -0.000 0.000 0.333 174 H C -1.055 174.386 175.328 0.188 0.000 1.114 174 H CA -0.326 55.829 56.048 0.178 0.000 1.310 174 H CB 1.534 31.353 29.762 0.095 0.000 1.462 174 H HN 0.547 nan 8.280 nan 0.000 0.516 175 L N 5.450 126.709 121.223 0.059 0.000 2.319 175 L HA 0.262 4.602 4.340 -0.000 0.000 0.281 175 L C 0.277 177.243 176.870 0.159 0.000 1.005 175 L CA -0.985 53.920 54.840 0.107 0.000 0.828 175 L CB 1.402 43.478 42.059 0.029 0.000 1.227 175 L HN 0.388 nan 8.230 nan 0.000 0.415 179 D N 0.899 121.304 120.400 0.009 0.000 2.424 179 D HA 0.132 4.772 4.640 -0.000 0.000 0.244 179 D C 0.951 177.256 176.300 0.008 0.000 1.134 179 D CA 0.081 54.086 54.000 0.008 0.000 0.881 179 D CB 2.031 42.832 40.800 0.002 0.000 1.191 179 D HN 0.286 nan 8.370 nan 0.000 0.445 180 V N 4.351 124.271 119.914 0.010 0.000 2.324 180 V HA -0.244 3.876 4.120 -0.000 0.000 0.250 180 V C 1.998 178.100 176.094 0.013 0.000 1.060 180 V CA 1.859 64.165 62.300 0.010 0.000 1.042 180 V CB -0.551 31.279 31.823 0.010 0.000 0.650 180 V HN 0.647 nan 8.190 nan 0.000 0.450 181 E N -0.708 119.501 120.200 0.015 0.000 2.516 181 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 181 E C 2.060 178.678 176.600 0.030 0.000 1.069 181 E CA 0.361 56.776 56.400 0.025 0.000 0.876 181 E CB 0.035 29.747 29.700 0.021 0.000 0.843 181 E HN 0.653 nan 8.360 nan 0.000 0.530 182 Q N 0.237 120.045 119.800 0.014 0.000 2.226 182 Q HA 0.025 4.365 4.340 -0.000 0.000 0.199 182 Q C 2.061 178.072 176.000 0.019 0.000 0.945 182 Q CA 0.364 56.167 55.803 -0.000 0.000 0.861 182 Q CB 0.347 29.077 28.738 -0.014 0.000 0.953 182 Q HN 0.258 nan 8.270 nan 0.000 0.490 183 I N 0.421 120.999 120.570 0.014 0.000 2.286 183 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 183 I C 2.640 178.761 176.117 0.006 0.000 1.104 183 I CA 0.784 62.087 61.300 0.005 0.000 1.397 183 I CB -0.304 37.694 38.000 -0.004 0.000 1.072 183 I HN 0.189 nan 8.210 nan 0.000 0.417 184 R N 0.528 121.037 120.500 0.015 0.000 2.091 184 R HA -0.257 4.083 4.340 -0.000 0.000 0.238 184 R C 2.454 178.763 176.300 0.016 0.000 1.136 184 R CA 1.788 57.890 56.100 0.004 0.000 0.959 184 R CB -0.721 29.588 30.300 0.015 0.000 0.856 184 R HN 0.450 nan 8.270 nan 0.000 0.437 185 H N 0.221 119.269 119.070 -0.036 0.000 2.421 185 H HA -0.125 4.431 4.556 -0.000 0.000 0.298 185 H C 1.646 176.948 175.328 -0.044 0.000 1.087 185 H CA 1.896 57.927 56.048 -0.029 0.000 1.330 185 H CB 0.283 30.031 29.762 -0.024 0.000 1.388 185 H HN 0.234 nan 8.280 nan 0.000 0.526 186 Q N 0.322 120.195 119.800 0.122 0.000 2.269 186 Q HA 0.057 4.397 4.340 -0.000 0.000 0.201 186 Q C 2.561 178.495 176.000 -0.110 0.000 0.946 186 Q CA 0.567 56.389 55.803 0.031 0.000 0.877 186 Q CB -0.051 28.691 28.738 0.008 0.000 0.963 186 Q HN 0.480 nan 8.270 nan 0.000 0.472 187 L N -0.089 121.056 121.223 -0.130 0.000 2.072 187 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 187 L C 2.353 179.039 176.870 -0.306 0.000 1.079 187 L CA 1.435 56.147 54.840 -0.213 0.000 0.752 187 L CB -0.371 41.587 42.059 -0.167 0.000 0.906 187 L HN 0.366 nan 8.230 nan 0.000 0.436 188 E N -0.587 119.451 120.200 -0.271 0.000 2.130 188 E HA -0.313 4.037 4.350 -0.000 0.000 0.196 188 E C 2.201 178.642 176.600 -0.265 0.000 0.998 188 E CA 1.370 57.582 56.400 -0.315 0.000 0.806 188 E CB -0.036 29.548 29.700 -0.194 0.000 0.738 188 E HN 0.468 nan 8.360 nan 0.000 0.459 189 H N 0.167 119.037 119.070 -0.333 0.000 2.333 189 H HA -0.037 4.519 4.556 -0.000 0.000 0.302 189 H C 2.265 177.341 175.328 -0.419 0.000 1.075 189 H CA 1.513 57.386 56.048 -0.291 0.000 1.348 189 H CB -0.003 29.626 29.762 -0.222 0.000 1.393 189 H HN 0.230 nan 8.280 nan 0.000 0.509 190 I N 0.789 121.028 120.570 -0.551 0.000 2.163 190 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 190 I C 2.617 178.415 176.117 -0.532 0.000 1.085 190 I CA 0.922 61.594 61.300 -1.046 0.000 1.347 190 I CB -0.205 37.140 38.000 -1.093 0.000 1.044 190 I HN 0.203 nan 8.210 nan 0.000 0.408 191 L N 0.229 121.230 121.223 -0.370 0.000 2.046 191 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 191 L C 2.285 179.123 176.870 -0.054 0.000 1.077 191 L CA 1.212 55.935 54.840 -0.195 0.000 0.747 191 L CB -0.831 41.041 42.059 -0.312 0.000 0.896 191 L HN 0.317 nan 8.230 nan 0.000 0.432 192 N N 0.229 118.869 118.700 -0.101 0.000 2.120 192 N HA -0.236 4.504 4.740 -0.000 0.000 0.188 192 N C 1.774 177.302 175.510 0.030 0.000 1.024 192 N CA 1.307 54.328 53.050 -0.048 0.000 0.852 192 N CB -0.186 38.228 38.487 -0.121 0.000 1.003 192 N HN 0.377 nan 8.380 nan 0.000 0.424 193 E N 0.409 120.629 120.200 0.033 0.000 2.409 193 E HA -0.092 4.258 4.350 -0.000 0.000 0.198 193 E C 0.657 177.488 176.600 0.384 0.000 1.024 193 E CA 0.735 57.299 56.400 0.274 0.000 0.861 193 E CB 0.246 30.291 29.700 0.575 0.000 0.788 193 E HN 0.215 nan 8.360 nan 0.000 0.521 194 E N -0.383 119.999 120.200 0.305 0.000 2.476 194 E HA 0.017 4.367 4.350 -0.000 0.000 0.199 194 E C -0.428 176.341 176.600 0.282 0.000 1.021 194 E CA 0.090 56.639 56.400 0.248 0.000 0.907 194 E CB 0.152 29.959 29.700 0.179 0.000 0.974 194 E HN 0.399 nan 8.360 nan 0.000 0.489 195 H N -0.018 119.084 119.070 0.054 0.000 2.770 195 H HA -0.160 4.396 4.556 -0.000 0.000 0.309 195 H C -0.217 175.138 175.328 0.046 0.000 1.206 195 H CA 0.234 56.308 56.048 0.043 0.000 1.147 195 H CB -1.851 27.933 29.762 0.037 0.000 1.422 195 H HN 0.149 nan 8.280 nan 0.000 0.420 196 I N 0.991 121.653 120.570 0.153 0.000 2.339 196 I HA 0.400 4.570 4.170 -0.000 0.000 0.290 196 I C 1.001 177.201 176.117 0.139 0.000 0.994 196 I CA -0.432 60.935 61.300 0.112 0.000 1.191 196 I CB 1.472 39.517 38.000 0.075 0.000 1.343 196 I HN 0.277 nan 8.210 nan 0.000 0.458 197 A N 7.386 130.261 122.820 0.092 0.000 2.531 197 A HA 0.233 4.553 4.320 -0.000 0.000 0.236 197 A C -0.115 177.542 177.584 0.121 0.000 1.062 197 A CA 0.488 52.559 52.037 0.057 0.000 0.760 197 A CB -0.103 18.904 19.000 0.012 0.000 0.995 197 A HN 0.906 nan 8.150 nan 0.000 0.501 198 H N 0.227 119.278 119.070 -0.031 0.000 3.112 198 H HA 0.450 5.006 4.556 -0.000 0.000 0.347 198 H C -1.556 173.752 175.328 -0.033 0.000 1.188 198 H CA -0.786 55.242 56.048 -0.033 0.000 1.240 198 H CB 0.594 30.331 29.762 -0.042 0.000 1.920 198 H HN 0.643 nan 8.280 nan 0.000 0.535 199 E N 3.453 123.680 120.200 0.044 0.000 2.197 199 E HA 0.192 4.542 4.350 -0.000 0.000 0.281 199 E C -1.938 174.703 176.600 0.068 0.000 0.995 199 E CA -2.031 54.370 56.400 0.001 0.000 0.808 199 E CB 2.027 31.727 29.700 0.000 0.000 1.093 199 E HN 0.370 nan 8.360 nan 0.000 0.394 200 P HA -0.216 nan 4.420 nan 0.000 0.217 200 P C 0.879 178.203 177.300 0.040 0.000 1.148 200 P CA 1.403 64.539 63.100 0.060 0.000 0.834 200 P CB 0.214 31.928 31.700 0.023 0.000 0.783 201 R N -0.801 119.714 120.500 0.024 0.000 2.090 201 R HA 0.020 4.360 4.340 -0.000 0.000 0.228 201 R C 2.329 178.639 176.300 0.016 0.000 1.110 201 R CA 1.253 57.362 56.100 0.015 0.000 0.973 201 R CB -0.978 29.326 30.300 0.007 0.000 0.869 201 R HN 0.147 nan 8.270 nan 0.000 0.440 202 A N 1.558 124.392 122.820 0.025 0.000 1.908 202 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 202 A C 2.155 179.744 177.584 0.010 0.000 1.181 202 A CA 1.272 53.321 52.037 0.020 0.000 0.627 202 A CB -0.594 18.427 19.000 0.034 0.000 0.818 202 A HN 0.181 nan 8.150 nan 0.000 0.445 203 L N -1.446 119.785 121.223 0.013 0.000 2.141 203 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 203 L C 2.786 179.649 176.870 -0.013 0.000 1.094 203 L CA 1.507 56.335 54.840 -0.019 0.000 0.763 203 L CB -0.515 41.519 42.059 -0.042 0.000 0.908 203 L HN 0.421 nan 8.230 nan 0.000 0.437 204 Q N 0.587 120.387 119.800 0.001 0.000 2.083 204 Q HA -0.091 4.249 4.340 -0.000 0.000 0.198 204 Q C 2.199 178.198 176.000 -0.000 0.000 0.969 204 Q CA 1.280 57.085 55.803 0.002 0.000 0.838 204 Q CB -0.149 28.594 28.738 0.008 0.000 0.900 204 Q HN 0.454 nan 8.270 nan 0.000 0.436 205 L N -0.217 121.006 121.223 -0.000 0.000 2.450 205 L HA -0.136 4.204 4.340 -0.000 0.000 0.224 205 L C 1.787 178.654 176.870 -0.005 0.000 1.149 205 L CA 0.575 55.413 54.840 -0.002 0.000 0.816 205 L CB -0.289 41.768 42.059 -0.003 0.000 0.932 205 L HN 0.254 nan 8.230 nan 0.000 0.449 206 L N -0.993 120.225 121.223 -0.009 0.000 2.269 206 L HA 0.089 4.429 4.340 -0.000 0.000 0.200 206 L C 2.830 179.693 176.870 -0.012 0.000 1.069 206 L CA 0.705 55.537 54.840 -0.014 0.000 0.804 206 L CB -0.476 41.569 42.059 -0.024 0.000 0.987 206 L HN 0.131 nan 8.230 nan 0.000 0.468 207 A N 0.475 123.287 122.820 -0.012 0.000 1.940 207 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 207 A C 2.287 179.870 177.584 -0.001 0.000 1.176 207 A CA 2.159 54.191 52.037 -0.008 0.000 0.631 207 A CB -0.498 18.499 19.000 -0.005 0.000 0.814 207 A HN 0.304 nan 8.150 nan 0.000 0.446 208 R N -0.006 120.495 120.500 0.001 0.000 2.062 208 R HA -0.004 4.336 4.340 -0.000 0.000 0.231 208 R C 2.247 178.549 176.300 0.004 0.000 1.136 208 R CA 1.971 58.073 56.100 0.004 0.000 0.948 208 R CB -0.933 29.370 30.300 0.005 0.000 0.845 208 R HN 0.374 nan 8.270 nan 0.000 0.430 209 A N 1.001 123.822 122.820 0.001 0.000 1.859 209 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 209 A C 1.308 178.894 177.584 0.002 0.000 1.209 209 A CA 1.573 53.610 52.037 0.001 0.000 0.639 209 A CB -1.498 17.500 19.000 -0.003 0.000 0.835 209 A HN 0.564 nan 8.150 nan 0.000 0.450 210 A N 0.629 123.449 122.820 0.000 0.000 2.515 210 A HA 0.345 4.665 4.320 -0.000 0.000 0.263 210 A C -0.085 177.503 177.584 0.006 0.000 1.096 210 A CA -0.112 51.927 52.037 0.002 0.000 0.769 210 A CB -0.355 18.644 19.000 -0.002 0.000 1.040 210 A HN 0.545 nan 8.150 nan 0.000 0.505 211 E N 2.059 122.265 120.200 0.010 0.000 1.932 211 E HA 0.366 4.716 4.350 -0.000 0.000 0.275 211 E C 1.286 177.896 176.600 0.017 0.000 1.159 211 E CA 0.660 57.068 56.400 0.014 0.000 0.905 211 E CB 0.184 29.894 29.700 0.016 0.000 1.059 211 E HN 1.124 nan 8.360 nan 0.000 0.400 212 G N 3.350 112.159 108.800 0.015 0.000 2.196 212 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.268 212 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.268 212 G C 0.331 175.240 174.900 0.015 0.000 0.975 212 G CA 0.802 45.913 45.100 0.018 0.000 0.648 212 G HN 0.619 nan 8.290 nan 0.000 0.538 213 S N -0.847 114.860 115.700 0.011 0.000 2.500 213 S HA 0.724 5.194 4.470 -0.000 0.000 0.301 213 S C 0.881 175.483 174.600 0.002 0.000 1.092 213 S CA -0.246 57.959 58.200 0.008 0.000 1.030 213 S CB 2.325 65.532 63.200 0.011 0.000 1.031 213 S HN 0.550 nan 8.310 nan 0.000 0.483 214 L N 2.705 123.928 121.223 -0.000 0.000 1.994 214 L HA 0.080 4.420 4.340 -0.000 0.000 0.208 214 L C 2.747 179.616 176.870 -0.001 0.000 1.071 214 L CA 1.626 56.463 54.840 -0.005 0.000 0.745 214 L CB -0.917 41.141 42.059 -0.003 0.000 0.892 214 L HN 0.804 nan 8.230 nan 0.000 0.431 215 R N -0.031 120.472 120.500 0.006 0.000 2.165 215 R HA -0.233 4.107 4.340 -0.000 0.000 0.254 215 R C 1.895 178.199 176.300 0.008 0.000 1.153 215 R CA 2.005 58.111 56.100 0.010 0.000 0.971 215 R CB -1.031 29.276 30.300 0.012 0.000 0.878 215 R HN 0.518 nan 8.270 nan 0.000 0.449 216 D N -0.485 119.918 120.400 0.006 0.000 2.137 216 D HA 0.001 4.641 4.640 -0.000 0.000 0.202 216 D C 1.823 178.122 176.300 -0.002 0.000 0.970 216 D CA 1.220 55.223 54.000 0.004 0.000 0.837 216 D CB -0.271 40.533 40.800 0.007 0.000 0.981 216 D HN 0.179 nan 8.370 nan 0.000 0.475 217 A N 1.293 124.109 122.820 -0.008 0.000 1.892 217 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 217 A C 2.409 179.978 177.584 -0.024 0.000 1.188 217 A CA 1.198 53.223 52.037 -0.019 0.000 0.631 217 A CB -0.953 18.031 19.000 -0.027 0.000 0.822 217 A HN 0.217 nan 8.150 nan 0.000 0.447 218 L N 0.320 121.531 121.223 -0.022 0.000 2.012 218 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 218 L C 2.979 179.844 176.870 -0.007 0.000 1.073 218 L CA 1.828 56.656 54.840 -0.020 0.000 0.748 218 L CB -0.717 41.341 42.059 -0.003 0.000 0.891 218 L HN 0.587 nan 8.230 nan 0.000 0.431 219 S N -0.284 115.417 115.700 0.001 0.000 2.402 219 S HA -0.101 4.369 4.470 -0.000 0.000 0.229 219 S C 1.950 176.551 174.600 0.001 0.000 1.021 219 S CA 0.749 58.952 58.200 0.005 0.000 0.974 219 S CB -0.537 62.668 63.200 0.009 0.000 0.800 219 S HN 0.312 nan 8.310 nan 0.000 0.484 220 L N 1.351 122.572 121.223 -0.004 0.000 2.093 220 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 220 L C 2.750 179.614 176.870 -0.010 0.000 1.085 220 L CA 1.459 56.295 54.840 -0.006 0.000 0.755 220 L CB -0.909 41.145 42.059 -0.008 0.000 0.904 220 L HN 0.366 nan 8.230 nan 0.000 0.435 221 T N -1.633 112.910 114.554 -0.019 0.000 2.904 221 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 221 T C 1.448 176.140 174.700 -0.013 0.000 1.059 221 T CA 1.010 63.095 62.100 -0.025 0.000 1.137 221 T CB -0.183 68.656 68.868 -0.049 0.000 0.879 221 T HN 0.289 nan 8.240 nan 0.000 0.467 222 D N 1.337 121.734 120.400 -0.005 0.000 2.144 222 D HA -0.074 4.566 4.640 -0.000 0.000 0.199 222 D C 2.324 178.628 176.300 0.008 0.000 0.984 222 D CA 1.027 55.031 54.000 0.006 0.000 0.834 222 D CB -0.023 40.785 40.800 0.014 0.000 0.955 222 D HN 0.507 nan 8.370 nan 0.000 0.465 223 Q N 0.256 120.059 119.800 0.004 0.000 2.083 223 Q HA -0.007 4.333 4.340 -0.000 0.000 0.198 223 Q C 2.281 178.283 176.000 0.003 0.000 0.969 223 Q CA 0.978 56.784 55.803 0.005 0.000 0.838 223 Q CB -0.034 28.706 28.738 0.003 0.000 0.900 223 Q HN 0.153 nan 8.270 nan 0.000 0.436 224 A N 1.203 124.023 122.820 -0.000 0.000 1.908 224 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 224 A C 2.050 179.636 177.584 0.004 0.000 1.181 224 A CA 1.221 53.257 52.037 -0.000 0.000 0.627 224 A CB -0.688 18.309 19.000 -0.005 0.000 0.818 224 A HN 0.288 nan 8.150 nan 0.000 0.445 225 I N -0.322 120.252 120.570 0.006 0.000 2.113 225 I HA -0.304 3.866 4.170 -0.000 0.000 0.238 225 I C 2.978 179.102 176.117 0.012 0.000 1.070 225 I CA 1.224 62.530 61.300 0.011 0.000 1.332 225 I CB -0.393 37.616 38.000 0.015 0.000 1.044 225 I HN 0.353 nan 8.210 nan 0.000 0.402 226 A N 0.395 123.222 122.820 0.012 0.000 2.032 226 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 226 A C 2.384 179.973 177.584 0.008 0.000 1.165 226 A CA 2.361 54.405 52.037 0.011 0.000 0.645 226 A CB -0.690 18.317 19.000 0.011 0.000 0.807 226 A HN 0.586 nan 8.150 nan 0.000 0.453 227 S N -1.898 113.806 115.700 0.006 0.000 2.470 227 S HA 0.229 4.699 4.470 -0.000 0.000 0.222 227 S C 1.664 176.267 174.600 0.004 0.000 1.024 227 S CA 0.720 58.922 58.200 0.004 0.000 0.931 227 S CB -0.296 62.905 63.200 0.001 0.000 0.791 227 S HN 0.608 nan 8.310 nan 0.000 0.513 228 G N 0.814 109.618 108.800 0.005 0.000 3.141 228 G HA2 0.164 4.124 3.960 -0.000 0.000 0.218 228 G HA3 0.164 4.124 3.960 -0.000 0.000 0.218 228 G C -0.042 174.863 174.900 0.008 0.000 1.170 228 G CA 0.021 45.124 45.100 0.006 0.000 0.769 228 G HN 0.414 nan 8.290 nan 0.000 0.546 229 D N -0.262 120.144 120.400 0.009 0.000 3.003 229 D HA -0.108 4.532 4.640 -0.000 0.000 0.223 229 D C 1.509 177.817 176.300 0.013 0.000 1.204 229 D CA 1.692 55.698 54.000 0.010 0.000 0.828 229 D CB -1.195 39.610 40.800 0.008 0.000 0.918 229 D HN 0.855 nan 8.370 nan 0.000 0.401 230 G N 1.650 110.461 108.800 0.018 0.000 2.475 230 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.209 230 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.209 230 G C 0.308 175.224 174.900 0.027 0.000 1.127 230 G CA 0.380 45.494 45.100 0.023 0.000 0.681 230 G HN 0.612 nan 8.290 nan 0.000 0.517 231 Q N -0.221 119.592 119.800 0.023 0.000 2.193 231 Q HA 0.680 5.020 4.340 -0.000 0.000 0.246 231 Q C -0.526 175.490 176.000 0.028 0.000 0.959 231 Q CA -0.647 55.172 55.803 0.027 0.000 0.904 231 Q CB 2.737 31.486 28.738 0.018 0.000 1.238 231 Q HN 0.253 nan 8.270 nan 0.000 0.469 232 V N 1.870 121.808 119.914 0.041 0.000 2.276 232 V HA 0.248 4.368 4.120 -0.000 0.000 0.268 232 V C -0.544 175.576 176.094 0.042 0.000 1.032 232 V CA -0.468 61.855 62.300 0.038 0.000 0.810 232 V CB 0.570 32.419 31.823 0.044 0.000 1.060 232 V HN 0.794 nan 8.190 nan 0.000 0.446 233 S N 1.897 117.610 115.700 0.022 0.000 2.593 233 S HA 0.346 4.816 4.470 -0.000 0.000 0.297 233 S C 1.121 175.726 174.600 0.008 0.000 1.112 233 S CA -0.149 58.059 58.200 0.013 0.000 1.043 233 S CB 1.790 64.993 63.200 0.005 0.000 1.054 233 S HN 0.483 nan 8.310 nan 0.000 0.516 234 T N 2.515 117.072 114.554 0.005 0.000 2.803 234 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 234 T C 1.749 176.446 174.700 -0.005 0.000 1.052 234 T CA 2.003 64.103 62.100 0.001 0.000 1.136 234 T CB -0.388 68.479 68.868 -0.001 0.000 0.864 234 T HN 0.752 nan 8.240 nan 0.000 0.467 235 Q N 0.807 120.604 119.800 -0.006 0.000 2.046 235 Q HA 0.074 4.414 4.340 -0.000 0.000 0.200 235 Q C 2.791 178.785 176.000 -0.010 0.000 0.975 235 Q CA 1.370 57.166 55.803 -0.010 0.000 0.836 235 Q CB -0.331 28.401 28.738 -0.010 0.000 0.896 235 Q HN 0.551 nan 8.270 nan 0.000 0.428 236 A N 0.506 123.323 122.820 -0.005 0.000 1.969 236 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 236 A C 2.291 179.871 177.584 -0.006 0.000 1.169 236 A CA 1.117 53.151 52.037 -0.005 0.000 0.635 236 A CB -0.461 18.539 19.000 -0.000 0.000 0.810 236 A HN 0.208 nan 8.150 nan 0.000 0.445 237 V N 0.727 120.639 119.914 -0.005 0.000 2.719 237 V HA -0.130 3.990 4.120 -0.000 0.000 0.252 237 V C 2.560 178.648 176.094 -0.010 0.000 1.065 237 V CA 1.971 64.268 62.300 -0.006 0.000 1.086 237 V CB -0.393 31.428 31.823 -0.003 0.000 0.700 237 V HN 0.765 nan 8.190 nan 0.000 0.467 238 S N 0.178 115.870 115.700 -0.013 0.000 2.593 238 S HA 0.233 4.703 4.470 -0.000 0.000 0.217 238 S C 1.739 176.325 174.600 -0.023 0.000 0.966 238 S CA 0.588 58.777 58.200 -0.019 0.000 0.914 238 S CB 0.249 63.436 63.200 -0.022 0.000 0.776 238 S HN 0.463 nan 8.310 nan 0.000 0.523 239 A N 2.146 124.955 122.820 -0.018 0.000 2.021 239 A HA 0.271 4.591 4.320 -0.000 0.000 0.216 239 A C 2.128 179.701 177.584 -0.018 0.000 1.163 239 A CA 1.095 53.121 52.037 -0.019 0.000 0.676 239 A CB -0.464 18.528 19.000 -0.014 0.000 0.818 239 A HN 0.726 nan 8.150 nan 0.000 0.453 240 M N -1.906 117.685 119.600 -0.015 0.000 2.838 240 M HA 0.403 4.883 4.480 -0.000 0.000 0.251 240 M C 0.463 176.754 176.300 -0.014 0.000 1.393 240 M CA 0.223 55.515 55.300 -0.013 0.000 1.196 240 M CB -0.202 32.393 32.600 -0.008 0.000 1.276 240 M HN 0.032 nan 8.290 nan 0.000 0.541 244 L N 0.397 121.604 121.223 -0.027 0.000 2.515 244 L HA 0.164 4.504 4.340 -0.000 0.000 0.223 244 L C 1.569 178.427 176.870 -0.020 0.000 1.079 244 L CA 0.323 55.148 54.840 -0.024 0.000 0.857 244 L CB -0.020 42.029 42.059 -0.016 0.000 1.050 244 L HN 0.604 nan 8.230 nan 0.000 0.476 245 D N 0.696 121.085 120.400 -0.017 0.000 2.117 245 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 245 D C 1.347 177.637 176.300 -0.016 0.000 0.982 245 D CA 1.201 55.193 54.000 -0.013 0.000 0.828 245 D CB -0.060 40.734 40.800 -0.011 0.000 0.967 245 D HN 0.229 nan 8.370 nan 0.000 0.464 246 D N 1.087 121.473 120.400 -0.024 0.000 2.351 246 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 246 D C -0.142 176.138 176.300 -0.032 0.000 0.968 246 D CA 0.654 54.637 54.000 -0.028 0.000 0.899 246 D CB -0.242 40.535 40.800 -0.039 0.000 0.907 246 D HN 0.195 nan 8.370 nan 0.000 0.514 247 D N 1.465 121.846 120.400 -0.032 0.000 2.352 247 D HA 0.044 4.684 4.640 -0.000 0.000 0.245 247 D C 1.240 177.533 176.300 -0.012 0.000 1.224 247 D CA -0.048 53.934 54.000 -0.031 0.000 0.879 247 D CB 0.927 41.707 40.800 -0.033 0.000 1.057 247 D HN -0.038 nan 8.370 nan 0.000 0.491 248 Q N 1.521 121.318 119.800 -0.004 0.000 2.466 248 Q HA 0.030 4.370 4.340 -0.000 0.000 0.210 248 Q C 1.676 177.685 176.000 0.015 0.000 0.961 248 Q CA -0.066 55.742 55.803 0.010 0.000 0.953 248 Q CB 0.041 28.793 28.738 0.023 0.000 1.011 248 Q HN 0.539 nan 8.270 nan 0.000 0.516 249 A N 0.736 123.562 122.820 0.011 0.000 2.067 249 A HA -0.216 4.104 4.320 -0.000 0.000 0.224 249 A C 1.927 179.524 177.584 0.022 0.000 1.172 249 A CA 1.678 53.726 52.037 0.019 0.000 0.662 249 A CB -0.243 18.765 19.000 0.013 0.000 0.814 249 A HN 0.382 nan 8.150 nan 0.000 0.468 250 L N -1.274 119.959 121.223 0.015 0.000 2.577 250 L HA 0.136 4.476 4.340 -0.000 0.000 0.225 250 L C 2.254 179.129 176.870 0.009 0.000 1.053 250 L CA 1.594 56.442 54.840 0.014 0.000 0.866 250 L CB 0.069 42.136 42.059 0.013 0.000 1.132 250 L HN 0.292 nan 8.230 nan 0.000 0.486 251 S N -1.007 114.698 115.700 0.009 0.000 2.561 251 S HA -0.018 4.452 4.470 -0.000 0.000 0.225 251 S C 1.744 176.350 174.600 0.009 0.000 0.977 251 S CA 0.634 58.838 58.200 0.007 0.000 0.926 251 S CB -0.332 62.873 63.200 0.008 0.000 0.769 251 S HN 0.426 nan 8.310 nan 0.000 0.533 252 L N 0.854 122.085 121.223 0.014 0.000 2.168 252 L HA 0.107 4.447 4.340 -0.000 0.000 0.203 252 L C 2.210 179.081 176.870 0.001 0.000 1.078 252 L CA 0.571 55.423 54.840 0.020 0.000 0.780 252 L CB -0.082 42.000 42.059 0.039 0.000 0.939 252 L HN 0.186 nan 8.230 nan 0.000 0.451 253 V N -0.097 119.813 119.914 -0.008 0.000 2.358 253 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 253 V C 2.291 178.347 176.094 -0.063 0.000 1.047 253 V CA 1.652 63.927 62.300 -0.042 0.000 1.035 253 V CB -0.437 31.374 31.823 -0.021 0.000 0.658 253 V HN 0.440 nan 8.190 nan 0.000 0.452 254 E N 0.595 120.777 120.200 -0.030 0.000 2.023 254 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 254 E C 2.376 178.963 176.600 -0.022 0.000 1.003 254 E CA 1.459 57.844 56.400 -0.024 0.000 0.809 254 E CB -0.392 29.304 29.700 -0.007 0.000 0.755 254 E HN 0.563 nan 8.360 nan 0.000 0.449 255 A N 1.607 124.421 122.820 -0.010 0.000 1.986 255 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 255 A C 2.108 179.693 177.584 0.002 0.000 1.171 255 A CA 1.692 53.729 52.037 0.000 0.000 0.640 255 A CB -0.574 18.431 19.000 0.009 0.000 0.811 255 A HN 0.292 nan 8.150 nan 0.000 0.451 256 M N -0.099 119.485 119.600 -0.026 0.000 2.062 256 M HA -0.118 4.362 4.480 -0.000 0.000 0.259 256 M C 1.853 178.131 176.300 -0.035 0.000 1.076 256 M CA 2.394 57.666 55.300 -0.046 0.000 1.122 256 M CB -0.355 32.168 32.600 -0.129 0.000 1.312 256 M HN 0.199 nan 8.290 nan 0.000 0.412 257 V N 0.979 120.777 119.914 -0.193 0.000 2.867 257 V HA -0.207 3.913 4.120 -0.000 0.000 0.260 257 V C 1.717 177.913 176.094 0.169 0.000 1.099 257 V CA 1.726 63.932 62.300 -0.157 0.000 1.122 257 V CB -1.172 30.478 31.823 -0.288 0.000 0.708 257 V HN 0.548 nan 8.190 nan 0.000 0.490 258 E N 0.101 120.348 120.200 0.077 0.000 2.442 258 E HA 0.306 4.656 4.350 -0.000 0.000 0.195 258 E C 1.571 178.167 176.600 -0.005 0.000 1.030 258 E CA 0.592 57.016 56.400 0.040 0.000 0.869 258 E CB 0.032 29.740 29.700 0.012 0.000 0.857 258 E HN 0.517 nan 8.360 nan 0.000 0.505 259 A N 1.528 124.359 122.820 0.017 0.000 3.172 259 A HA -0.178 4.142 4.320 -0.000 0.000 0.263 259 A C 0.017 177.575 177.584 -0.044 0.000 1.215 259 A CA 0.675 52.663 52.037 -0.081 0.000 1.065 259 A CB -2.037 16.762 19.000 -0.335 0.000 1.148 259 A HN 0.281 nan 8.150 nan 0.000 0.904 260 N N 0.637 119.328 118.700 -0.016 0.000 3.229 260 N HA 0.362 5.102 4.740 -0.000 0.000 0.275 260 N C 1.446 176.957 175.510 0.001 0.000 1.225 260 N CA 0.706 53.750 53.050 -0.011 0.000 1.119 260 N CB 0.383 38.865 38.487 -0.009 0.000 1.392 260 N HN 0.612 nan 8.380 nan 0.000 0.520 261 G N 1.407 110.209 108.800 0.003 0.000 2.550 261 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.222 261 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.222 261 G C 1.424 176.330 174.900 0.011 0.000 1.113 261 G CA 1.233 46.340 45.100 0.012 0.000 0.748 261 G HN 0.494 nan 8.290 nan 0.000 0.585 262 E N 0.723 120.926 120.200 0.005 0.000 2.048 262 E HA -0.231 4.119 4.350 -0.000 0.000 0.202 262 E C 2.411 179.017 176.600 0.011 0.000 1.021 262 E CA 1.893 58.297 56.400 0.006 0.000 0.825 262 E CB -0.499 29.202 29.700 0.002 0.000 0.756 262 E HN 0.499 nan 8.360 nan 0.000 0.454 263 R N -0.327 120.179 120.500 0.010 0.000 2.066 263 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 263 R C 2.387 178.700 176.300 0.022 0.000 1.131 263 R CA 1.497 57.605 56.100 0.014 0.000 0.955 263 R CB -0.318 29.988 30.300 0.010 0.000 0.851 263 R HN 0.214 nan 8.270 nan 0.000 0.432 264 V N 1.162 121.089 119.914 0.023 0.000 2.380 264 V HA -0.327 3.793 4.120 -0.000 0.000 0.251 264 V C 2.396 178.514 176.094 0.041 0.000 1.063 264 V CA 1.675 63.994 62.300 0.032 0.000 1.055 264 V CB -0.386 31.456 31.823 0.031 0.000 0.657 264 V HN 0.375 nan 8.190 nan 0.000 0.455 265 M N -0.393 119.227 119.600 0.033 0.000 2.248 265 M HA 0.081 4.561 4.480 -0.000 0.000 0.265 265 M C 2.455 178.782 176.300 0.045 0.000 1.079 265 M CA 1.816 57.137 55.300 0.036 0.000 1.150 265 M CB -1.580 31.033 32.600 0.021 0.000 1.366 265 M HN 0.368 nan 8.290 nan 0.000 0.433 266 A N 0.937 123.778 122.820 0.035 0.000 1.940 266 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 266 A C 2.325 179.937 177.584 0.046 0.000 1.176 266 A CA 1.410 53.468 52.037 0.035 0.000 0.631 266 A CB -0.976 18.038 19.000 0.024 0.000 0.814 266 A HN 0.471 nan 8.150 nan 0.000 0.446 267 L N -0.686 120.566 121.223 0.048 0.000 1.994 267 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 267 L C 2.523 179.446 176.870 0.089 0.000 1.071 267 L CA 1.441 56.314 54.840 0.055 0.000 0.745 267 L CB -0.672 41.417 42.059 0.050 0.000 0.892 267 L HN 0.348 nan 8.230 nan 0.000 0.431 268 I N 0.320 120.963 120.570 0.123 0.000 2.264 268 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 268 I C 2.440 178.704 176.117 0.245 0.000 1.111 268 I CA 1.303 62.737 61.300 0.223 0.000 1.382 268 I CB -0.451 37.660 38.000 0.184 0.000 1.060 268 I HN 0.415 nan 8.210 nan 0.000 0.418 269 N N 1.125 119.911 118.700 0.143 0.000 2.171 269 N HA -0.220 4.520 4.740 -0.000 0.000 0.184 269 N C 1.744 177.317 175.510 0.105 0.000 1.021 269 N CA 1.480 54.605 53.050 0.125 0.000 0.854 269 N CB -0.064 38.468 38.487 0.074 0.000 0.994 269 N HN 0.353 nan 8.380 nan 0.000 0.426 270 E N -0.135 120.110 120.200 0.075 0.000 2.038 270 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 270 E C 1.797 178.412 176.600 0.026 0.000 1.000 270 E CA 1.330 57.755 56.400 0.042 0.000 0.803 270 E CB -0.227 29.491 29.700 0.030 0.000 0.750 270 E HN 0.428 nan 8.360 nan 0.000 0.448 271 A N 1.129 123.967 122.820 0.029 0.000 1.908 271 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 271 A C 2.395 179.914 177.584 -0.109 0.000 1.181 271 A CA 2.053 54.054 52.037 -0.058 0.000 0.627 271 A CB -0.896 18.062 19.000 -0.069 0.000 0.818 271 A HN 0.429 nan 8.150 nan 0.000 0.445 272 A N -0.130 122.727 122.820 0.061 0.000 1.908 272 A HA 0.121 4.441 4.320 -0.000 0.000 0.218 272 A C 2.476 180.095 177.584 0.058 0.000 1.181 272 A CA 2.148 54.279 52.037 0.155 0.000 0.627 272 A CB -1.061 18.173 19.000 0.389 0.000 0.818 272 A HN 1.200 nan 8.150 nan 0.000 0.445 273 A N -0.568 122.280 122.820 0.047 0.000 2.076 273 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 273 A C 2.086 179.665 177.584 -0.009 0.000 1.160 273 A CA 1.599 53.650 52.037 0.024 0.000 0.653 273 A CB -0.354 18.659 19.000 0.023 0.000 0.801 273 A HN 0.549 nan 8.150 nan 0.000 0.455 274 R N -1.480 118.995 120.500 -0.042 0.000 2.317 274 R HA 0.283 4.623 4.340 -0.000 0.000 0.208 274 R C 1.013 177.257 176.300 -0.094 0.000 0.914 274 R CA 0.564 56.625 56.100 -0.065 0.000 1.060 274 R CB 0.094 30.349 30.300 -0.075 0.000 1.015 274 R HN 0.608 nan 8.270 nan 0.000 0.498 275 G N 1.835 110.569 108.800 -0.111 0.000 2.289 275 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.280 275 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.280 275 G C 0.093 174.855 174.900 -0.229 0.000 1.089 275 G CA -0.268 44.755 45.100 -0.128 0.000 0.939 275 G HN 0.202 nan 8.290 nan 0.000 0.499 276 I N -0.463 119.850 120.570 -0.428 0.000 2.882 276 I HA 0.141 4.311 4.170 -0.000 0.000 0.286 276 I C 0.930 176.718 176.117 -0.550 0.000 1.139 276 I CA 0.134 61.113 61.300 -0.535 0.000 1.379 276 I CB 0.558 38.084 38.000 -0.790 0.000 1.410 276 I HN 0.214 nan 8.210 nan 0.000 0.594 277 E N 3.803 123.798 120.200 -0.342 0.000 1.998 277 E HA 0.044 4.394 4.350 -0.000 0.000 0.257 277 E C -0.011 176.515 176.600 -0.123 0.000 1.038 277 E CA -0.161 56.134 56.400 -0.176 0.000 0.869 277 E CB 0.357 30.007 29.700 -0.083 0.000 1.135 277 E HN 0.521 nan 8.360 nan 0.000 0.430 278 W N 1.816 123.112 121.300 -0.007 0.000 2.255 278 W HA -0.320 4.340 4.660 -0.000 0.000 0.318 278 W C 2.155 178.669 176.519 -0.008 0.000 1.277 278 W CA 1.509 58.850 57.345 -0.006 0.000 1.286 278 W CB -0.067 29.389 29.460 -0.007 0.000 1.132 278 W HN 0.567 nan 8.180 nan 0.000 0.504 279 E N 0.050 120.364 120.200 0.190 0.000 2.152 279 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 279 E C 2.260 178.898 176.600 0.063 0.000 0.983 279 E CA 1.127 57.591 56.400 0.107 0.000 0.818 279 E CB -0.262 29.476 29.700 0.063 0.000 0.758 279 E HN 0.191 nan 8.360 nan 0.000 0.467 280 A N 1.089 123.930 122.820 0.035 0.000 1.902 280 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 280 A C 2.125 179.719 177.584 0.017 0.000 1.181 280 A CA 1.242 53.285 52.037 0.010 0.000 0.623 280 A CB -0.666 18.322 19.000 -0.020 0.000 0.818 280 A HN 0.402 nan 8.150 nan 0.000 0.443 281 L N -0.388 120.846 121.223 0.020 0.000 2.079 281 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 281 L C 2.105 179.015 176.870 0.065 0.000 1.081 281 L CA 1.643 56.504 54.840 0.035 0.000 0.752 281 L CB -0.482 41.606 42.059 0.050 0.000 0.896 281 L HN 0.392 nan 8.230 nan 0.000 0.433 282 L N -1.923 119.349 121.223 0.082 0.000 2.291 282 L HA -0.109 4.231 4.340 -0.000 0.000 0.214 282 L C 2.194 179.087 176.870 0.038 0.000 1.120 282 L CA 0.244 55.121 54.840 0.062 0.000 0.799 282 L CB -0.129 41.966 42.059 0.060 0.000 0.925 282 L HN 0.130 nan 8.230 nan 0.000 0.446 283 V N -0.610 119.326 119.914 0.037 0.000 2.407 283 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 283 V C 2.243 178.364 176.094 0.046 0.000 1.041 283 V CA 1.382 63.702 62.300 0.034 0.000 1.040 283 V CB -0.232 31.606 31.823 0.026 0.000 0.671 283 V HN 0.406 nan 8.190 nan 0.000 0.455 284 E N -0.223 120.002 120.200 0.040 0.000 2.118 284 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 284 E C 2.228 178.863 176.600 0.059 0.000 0.992 284 E CA 1.484 57.910 56.400 0.043 0.000 0.804 284 E CB -0.164 29.552 29.700 0.027 0.000 0.741 284 E HN 0.539 nan 8.360 nan 0.000 0.458 285 M N 0.143 119.779 119.600 0.060 0.000 2.156 285 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 285 M C 2.298 178.661 176.300 0.105 0.000 1.067 285 M CA 1.088 56.430 55.300 0.070 0.000 1.131 285 M CB -0.123 32.512 32.600 0.059 0.000 1.368 285 M HN 0.127 nan 8.290 nan 0.000 0.416 286 L N -0.544 120.736 121.223 0.096 0.000 2.217 286 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 286 L C 2.437 179.465 176.870 0.264 0.000 1.107 286 L CA 0.871 55.800 54.840 0.149 0.000 0.783 286 L CB -0.732 41.338 42.059 0.018 0.000 0.919 286 L HN 0.384 nan 8.230 nan 0.000 0.442 287 G N -0.849 108.054 108.800 0.171 0.000 2.683 287 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.213 287 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.213 287 G C 1.540 176.538 174.900 0.163 0.000 1.142 287 G CA -0.027 45.174 45.100 0.170 0.000 0.793 287 G HN 0.167 nan 8.290 nan 0.000 0.534 288 L N -0.438 120.868 121.223 0.139 0.000 2.130 288 L HA 0.240 4.580 4.340 -0.000 0.000 0.200 288 L C 2.684 179.624 176.870 0.117 0.000 1.075 288 L CA 0.227 55.128 54.840 0.102 0.000 0.768 288 L CB -0.384 41.719 42.059 0.073 0.000 0.933 288 L HN 0.094 nan 8.230 nan 0.000 0.451 289 L N -0.315 121.008 121.223 0.166 0.000 2.129 289 L HA -0.297 4.043 4.340 -0.000 0.000 0.212 289 L C 2.659 179.614 176.870 0.142 0.000 1.087 289 L CA 1.220 56.170 54.840 0.183 0.000 0.757 289 L CB -0.422 41.812 42.059 0.293 0.000 0.896 289 L HN 0.377 nan 8.230 nan 0.000 0.434 290 H N -0.297 118.809 119.070 0.060 0.000 2.389 290 H HA -0.162 4.394 4.556 -0.000 0.000 0.299 290 H C 2.363 177.660 175.328 -0.052 0.000 1.081 290 H CA 1.676 57.671 56.048 -0.088 0.000 1.345 290 H CB 0.121 29.848 29.762 -0.057 0.000 1.393 290 H HN 0.075 nan 8.280 nan 0.000 0.520 291 R N -0.266 120.186 120.500 -0.080 0.000 2.115 291 R HA 0.014 4.354 4.340 -0.000 0.000 0.226 291 R C 2.072 178.311 176.300 -0.101 0.000 1.100 291 R CA 1.272 57.300 56.100 -0.121 0.000 0.980 291 R CB -0.088 30.200 30.300 -0.019 0.000 0.875 291 R HN 0.385 nan 8.270 nan 0.000 0.445 292 I N 0.300 120.841 120.570 -0.049 0.000 2.546 292 I HA -0.147 4.023 4.170 -0.000 0.000 0.255 292 I C 2.264 178.347 176.117 -0.055 0.000 1.163 292 I CA 0.892 62.174 61.300 -0.029 0.000 1.457 292 I CB -0.160 37.847 38.000 0.012 0.000 1.092 292 I HN 0.223 nan 8.210 nan 0.000 0.434 293 A N 0.575 123.333 122.820 -0.103 0.000 1.968 293 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 293 A C 2.337 179.830 177.584 -0.151 0.000 1.169 293 A CA 1.207 53.169 52.037 -0.125 0.000 0.638 293 A CB -0.371 18.521 19.000 -0.181 0.000 0.812 293 A HN 0.330 nan 8.150 nan 0.000 0.446 294 M N -0.758 118.721 119.600 -0.201 0.000 2.288 294 M HA -0.041 4.439 4.480 -0.000 0.000 0.266 294 M C 1.709 177.952 176.300 -0.095 0.000 1.072 294 M CA 0.860 56.059 55.300 -0.169 0.000 1.132 294 M CB -0.118 32.354 32.600 -0.212 0.000 1.386 294 M HN 0.192 nan 8.290 nan 0.000 0.432 295 V N 0.504 120.373 119.914 -0.074 0.000 3.141 295 V HA -0.184 3.936 4.120 -0.000 0.000 0.265 295 V C 1.856 177.930 176.094 -0.034 0.000 1.126 295 V CA 1.305 63.579 62.300 -0.044 0.000 1.141 295 V CB -0.879 30.926 31.823 -0.030 0.000 0.743 295 V HN 0.542 nan 8.190 nan 0.000 0.492 296 Q N -0.898 118.878 119.800 -0.040 0.000 2.424 296 Q HA 0.072 4.412 4.340 -0.000 0.000 0.204 296 Q C 1.834 177.817 176.000 -0.028 0.000 0.933 296 Q CA 0.538 56.324 55.803 -0.028 0.000 0.929 296 Q CB 0.243 28.967 28.738 -0.025 0.000 1.037 296 Q HN 0.511 nan 8.270 nan 0.000 0.511 297 L N -0.538 120.663 121.223 -0.038 0.000 2.575 297 L HA 0.192 4.532 4.340 -0.000 0.000 0.228 297 L C -0.142 176.711 176.870 -0.028 0.000 1.075 297 L CA 0.585 55.405 54.840 -0.033 0.000 0.867 297 L CB 1.099 43.134 42.059 -0.040 0.000 1.097 297 L HN -0.009 nan 8.230 nan 0.000 0.485 298 S N -1.473 114.209 115.700 -0.031 0.000 2.652 298 S HA 0.455 4.925 4.470 -0.000 0.000 0.273 298 S C -2.375 172.211 174.600 -0.024 0.000 1.172 298 S CA -0.691 57.494 58.200 -0.025 0.000 1.009 298 S CB 1.308 64.493 63.200 -0.025 0.000 1.094 298 S HN 0.020 nan 8.310 nan 0.000 0.471 299 P HA 0.079 nan 4.420 nan 0.000 0.234 299 P C 1.021 178.313 177.300 -0.013 0.000 1.167 299 P CA 0.648 63.740 63.100 -0.014 0.000 0.763 299 P CB -0.133 31.562 31.700 -0.009 0.000 0.835 300 A N 0.119 122.931 122.820 -0.014 0.000 2.265 300 A HA 0.353 4.673 4.320 -0.000 0.000 0.213 300 A C 1.889 179.465 177.584 -0.014 0.000 1.255 300 A CA 0.530 52.560 52.037 -0.011 0.000 0.862 300 A CB -0.905 18.089 19.000 -0.010 0.000 0.852 300 A HN 0.204 nan 8.150 nan 0.000 0.484 301 A N -0.462 122.347 122.820 -0.019 0.000 2.302 301 A HA 0.460 4.780 4.320 -0.000 0.000 0.219 301 A C 0.483 178.058 177.584 -0.015 0.000 1.243 301 A CA 0.009 52.032 52.037 -0.023 0.000 0.856 301 A CB -0.252 18.724 19.000 -0.041 0.000 0.893 301 A HN 0.407 nan 8.150 nan 0.000 0.491 302 L N 1.101 122.319 121.223 -0.009 0.000 2.277 302 L HA 0.383 4.723 4.340 -0.000 0.000 0.284 302 L C 1.173 178.043 176.870 0.001 0.000 1.028 302 L CA -0.790 54.048 54.840 -0.003 0.000 0.835 302 L CB 0.969 43.027 42.059 -0.001 0.000 1.215 302 L HN 0.395 nan 8.230 nan 0.000 0.425 303 G N 2.200 111.002 108.800 0.003 0.000 2.846 303 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.257 303 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.257 303 G C 1.003 175.908 174.900 0.008 0.000 1.253 303 G CA 0.081 45.185 45.100 0.007 0.000 0.918 303 G HN 0.878 nan 8.290 nan 0.000 0.597 304 N N -1.212 117.494 118.700 0.010 0.000 2.459 304 N HA -0.060 4.680 4.740 -0.000 0.000 0.181 304 N C 0.740 176.257 175.510 0.011 0.000 1.046 304 N CA 1.544 54.600 53.050 0.010 0.000 0.904 304 N CB 0.405 38.899 38.487 0.011 0.000 0.964 304 N HN 0.452 nan 8.380 nan 0.000 0.444 305 D N -1.090 119.317 120.400 0.011 0.000 2.712 305 D HA 0.135 4.775 4.640 -0.000 0.000 0.300 305 D C 0.530 176.837 176.300 0.012 0.000 1.521 305 D CA -0.112 53.895 54.000 0.012 0.000 0.790 305 D CB 0.334 41.140 40.800 0.010 0.000 1.155 305 D HN 0.009 nan 8.370 nan 0.000 0.456 306 M N 0.161 119.768 119.600 0.011 0.000 2.595 306 M HA 0.135 4.615 4.480 -0.000 0.000 0.248 306 M C 2.127 178.433 176.300 0.010 0.000 1.119 306 M CA 0.213 55.519 55.300 0.010 0.000 1.079 306 M CB -0.815 31.790 32.600 0.009 0.000 1.472 306 M HN 0.068 nan 8.290 nan 0.000 0.501 307 A N 1.134 123.961 122.820 0.012 0.000 1.896 307 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 307 A C 2.471 180.063 177.584 0.012 0.000 1.206 307 A CA 2.720 54.764 52.037 0.013 0.000 0.647 307 A CB -1.046 17.964 19.000 0.016 0.000 0.828 307 A HN 0.468 nan 8.150 nan 0.000 0.455 308 A N -0.211 122.616 122.820 0.012 0.000 1.883 308 A HA -0.111 4.208 4.320 -0.000 0.000 0.217 308 A C 2.161 179.751 177.584 0.008 0.000 1.186 308 A CA 1.697 53.740 52.037 0.010 0.000 0.624 308 A CB -0.727 18.278 19.000 0.010 0.000 0.822 308 A HN 0.574 nan 8.150 nan 0.000 0.444 309 I N -1.028 119.547 120.570 0.009 0.000 2.142 309 I HA -0.282 3.887 4.170 -0.000 0.000 0.240 309 I C 2.119 178.240 176.117 0.008 0.000 1.078 309 I CA 1.576 62.881 61.300 0.008 0.000 1.343 309 I CB -0.958 37.048 38.000 0.010 0.000 1.046 309 I HN 0.439 nan 8.210 nan 0.000 0.405 310 E N 0.507 120.712 120.200 0.008 0.000 2.755 310 E HA -0.392 3.958 4.350 -0.000 0.000 0.241 310 E C 1.973 178.577 176.600 0.006 0.000 0.977 310 E CA 2.659 59.063 56.400 0.007 0.000 1.398 310 E CB -0.784 28.921 29.700 0.007 0.000 1.343 310 E HN 0.387 nan 8.360 nan 0.000 0.482 311 L N 0.950 122.177 121.223 0.006 0.000 2.042 311 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 311 L C 2.332 179.206 176.870 0.007 0.000 1.076 311 L CA 1.917 56.761 54.840 0.006 0.000 0.749 311 L CB -0.188 41.875 42.059 0.006 0.000 0.893 311 L HN 0.066 nan 8.230 nan 0.000 0.432 312 R N -1.513 118.991 120.500 0.007 0.000 2.081 312 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 312 R C 2.179 178.484 176.300 0.008 0.000 1.131 312 R CA 1.687 57.791 56.100 0.007 0.000 0.960 312 R CB -0.383 29.921 30.300 0.007 0.000 0.856 312 R HN 0.354 nan 8.270 nan 0.000 0.436 313 M N 0.151 119.756 119.600 0.008 0.000 2.098 313 M HA -0.063 4.417 4.480 -0.000 0.000 0.262 313 M C 2.037 178.341 176.300 0.007 0.000 1.072 313 M CA 1.406 56.711 55.300 0.008 0.000 1.133 313 M CB -0.596 32.008 32.600 0.007 0.000 1.344 313 M HN 0.006 nan 8.290 nan 0.000 0.414 314 R N 0.426 120.929 120.500 0.005 0.000 2.170 314 R HA -0.171 4.169 4.340 -0.000 0.000 0.242 314 R C 1.938 178.242 176.300 0.007 0.000 1.145 314 R CA 1.213 57.316 56.100 0.005 0.000 0.984 314 R CB -0.644 29.659 30.300 0.004 0.000 0.869 314 R HN 0.415 nan 8.270 nan 0.000 0.455 315 E N 0.633 120.838 120.200 0.009 0.000 2.076 315 E HA -0.016 4.334 4.350 -0.000 0.000 0.190 315 E C 2.046 178.655 176.600 0.015 0.000 0.979 315 E CA 0.737 57.144 56.400 0.012 0.000 0.807 315 E CB -0.126 29.580 29.700 0.011 0.000 0.761 315 E HN 0.195 nan 8.360 nan 0.000 0.454 316 L N -0.040 121.193 121.223 0.016 0.000 2.046 316 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 316 L C 2.477 179.362 176.870 0.025 0.000 1.077 316 L CA 1.114 55.967 54.840 0.022 0.000 0.747 316 L CB -0.752 41.319 42.059 0.020 0.000 0.896 316 L HN 0.192 nan 8.230 nan 0.000 0.432 317 A N 1.016 123.845 122.820 0.016 0.000 2.032 317 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 317 A C 2.336 179.927 177.584 0.012 0.000 1.165 317 A CA 2.146 54.189 52.037 0.010 0.000 0.645 317 A CB -0.499 18.501 19.000 -0.000 0.000 0.807 317 A HN 0.635 nan 8.150 nan 0.000 0.453 318 R N -1.711 118.798 120.500 0.015 0.000 2.191 318 R HA 0.031 4.371 4.340 -0.000 0.000 0.196 318 R C 1.648 177.962 176.300 0.023 0.000 0.991 318 R CA 1.206 57.316 56.100 0.015 0.000 1.075 318 R CB -0.882 29.425 30.300 0.012 0.000 1.040 318 R HN 0.350 nan 8.270 nan 0.000 0.526 319 T N -0.848 113.723 114.554 0.028 0.000 3.129 319 T HA 0.345 4.695 4.350 -0.000 0.000 0.251 319 T C 0.674 175.406 174.700 0.053 0.000 1.117 319 T CA -0.104 62.018 62.100 0.036 0.000 1.034 319 T CB -0.170 68.718 68.868 0.033 0.000 0.968 319 T HN 0.122 nan 8.240 nan 0.000 0.526 320 I N 1.984 122.588 120.570 0.057 0.000 2.410 320 I HA 0.394 4.564 4.170 -0.000 0.000 0.286 320 I C -2.720 173.440 176.117 0.072 0.000 1.009 320 I CA -2.992 58.360 61.300 0.085 0.000 1.111 320 I CB 2.215 40.280 38.000 0.107 0.000 1.262 320 I HN -0.156 nan 8.210 nan 0.000 0.443 321 P HA 0.032 nan 4.420 nan 0.000 0.266 321 P C -1.848 175.471 177.300 0.031 0.000 1.195 321 P CA -0.851 62.273 63.100 0.041 0.000 0.768 321 P CB 0.157 31.877 31.700 0.035 0.000 0.838 322 P HA -0.161 nan 4.420 nan 0.000 0.220 322 P C 1.014 178.308 177.300 -0.011 0.000 1.148 322 P CA 1.655 64.756 63.100 0.003 0.000 0.803 322 P CB -0.210 31.486 31.700 -0.008 0.000 0.782 323 T N 0.390 114.933 114.554 -0.020 0.000 2.737 323 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 323 T C 1.323 175.970 174.700 -0.089 0.000 1.038 323 T CA 1.851 63.926 62.100 -0.042 0.000 1.144 323 T CB -0.841 68.005 68.868 -0.037 0.000 0.866 323 T HN 0.139 nan 8.240 nan 0.000 0.434 324 D N 0.881 121.221 120.400 -0.100 0.000 2.144 324 D HA 0.024 4.664 4.640 -0.000 0.000 0.199 324 D C 2.010 178.156 176.300 -0.256 0.000 0.984 324 D CA 0.552 54.401 54.000 -0.253 0.000 0.834 324 D CB -0.382 40.364 40.800 -0.090 0.000 0.955 324 D HN 0.337 nan 8.370 nan 0.000 0.465 325 I N 0.685 121.265 120.570 0.016 0.000 2.226 325 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 325 I C 2.272 178.447 176.117 0.097 0.000 1.100 325 I CA 0.944 62.330 61.300 0.145 0.000 1.374 325 I CB -0.032 38.029 38.000 0.102 0.000 1.057 325 I HN -0.029 nan 8.210 nan 0.000 0.413 326 Q N 0.100 119.911 119.800 0.020 0.000 2.084 326 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 326 Q C 2.226 178.247 176.000 0.036 0.000 0.978 326 Q CA 1.477 57.309 55.803 0.049 0.000 0.844 326 Q CB -0.804 27.938 28.738 0.007 0.000 0.898 326 Q HN 0.413 nan 8.270 nan 0.000 0.426 327 L N -0.033 121.114 121.223 -0.127 0.000 2.013 327 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 327 L C 2.057 178.824 176.870 -0.172 0.000 1.073 327 L CA 1.770 56.477 54.840 -0.221 0.000 0.753 327 L CB -0.632 41.177 42.059 -0.416 0.000 0.890 327 L HN 0.119 nan 8.230 nan 0.000 0.432 328 Y N -2.180 118.140 120.300 0.034 0.000 2.314 328 Y HA -0.208 4.342 4.550 -0.000 0.000 0.293 328 Y C 2.406 178.347 175.900 0.069 0.000 1.129 328 Y CA 1.359 59.476 58.100 0.028 0.000 1.201 328 Y CB -1.230 37.237 38.460 0.012 0.000 0.999 328 Y HN 0.302 nan 8.280 nan 0.000 0.541 329 Y N 1.160 121.537 120.300 0.128 0.000 2.224 329 Y HA -0.273 4.277 4.550 -0.000 0.000 0.289 329 Y C 2.116 178.047 175.900 0.051 0.000 1.146 329 Y CA 1.732 59.886 58.100 0.090 0.000 1.182 329 Y CB -0.354 38.154 38.460 0.081 0.000 0.983 329 Y HN 0.161 nan 8.280 nan 0.000 0.524 330 Q N -0.868 118.963 119.800 0.051 0.000 2.046 330 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 330 Q C 2.214 178.160 176.000 -0.090 0.000 0.975 330 Q CA 2.272 58.044 55.803 -0.052 0.000 0.836 330 Q CB -0.402 28.339 28.738 0.004 0.000 0.896 330 Q HN 0.355 nan 8.270 nan 0.000 0.428 331 T N 1.235 115.769 114.554 -0.034 0.000 2.759 331 T HA -0.108 4.242 4.350 -0.000 0.000 0.269 331 T C 1.550 176.237 174.700 -0.022 0.000 1.042 331 T CA 0.852 62.944 62.100 -0.013 0.000 1.140 331 T CB -0.039 68.863 68.868 0.057 0.000 0.864 331 T HN 0.099 nan 8.240 nan 0.000 0.455 332 L N 0.649 121.851 121.223 -0.036 0.000 2.240 332 L HA 0.113 4.453 4.340 -0.000 0.000 0.211 332 L C 2.292 179.088 176.870 -0.124 0.000 1.106 332 L CA 0.851 55.659 54.840 -0.053 0.000 0.793 332 L CB -1.264 40.776 42.059 -0.032 0.000 0.927 332 L HN 0.284 nan 8.230 nan 0.000 0.446 333 L N 0.306 121.390 121.223 -0.232 0.000 2.005 333 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 333 L C 2.490 179.284 176.870 -0.127 0.000 1.072 333 L CA 1.817 56.499 54.840 -0.264 0.000 0.744 333 L CB -0.615 41.211 42.059 -0.388 0.000 0.895 333 L HN 0.137 nan 8.230 nan 0.000 0.433 334 I N -0.072 120.439 120.570 -0.098 0.000 2.163 334 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 334 I C 2.485 178.586 176.117 -0.027 0.000 1.085 334 I CA 1.361 62.629 61.300 -0.054 0.000 1.347 334 I CB -0.956 37.011 38.000 -0.055 0.000 1.044 334 I HN 0.360 nan 8.210 nan 0.000 0.408 335 G N 0.368 109.153 108.800 -0.025 0.000 2.498 335 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 335 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 335 G C 1.794 176.695 174.900 0.002 0.000 1.119 335 G CA 0.373 45.470 45.100 -0.004 0.000 0.766 335 G HN 0.322 nan 8.290 nan 0.000 0.552 336 R N 0.431 120.924 120.500 -0.012 0.000 2.075 336 R HA 0.059 4.399 4.340 -0.000 0.000 0.226 336 R C 2.331 178.638 176.300 0.012 0.000 1.114 336 R CA 1.056 57.155 56.100 -0.002 0.000 0.972 336 R CB -0.192 30.093 30.300 -0.024 0.000 0.869 336 R HN 0.253 nan 8.270 nan 0.000 0.437 337 K N 0.397 120.808 120.400 0.017 0.000 2.097 337 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 337 K C 1.891 178.566 176.600 0.126 0.000 1.050 337 K CA 1.613 57.934 56.287 0.057 0.000 0.938 337 K CB 0.001 32.528 32.500 0.045 0.000 0.718 337 K HN 0.330 nan 8.250 nan 0.000 0.442 338 E N 0.923 121.183 120.200 0.101 0.000 2.274 338 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 338 E C 1.871 178.556 176.600 0.142 0.000 0.996 338 E CA 0.246 56.734 56.400 0.147 0.000 0.840 338 E CB -0.067 29.674 29.700 0.068 0.000 0.772 338 E HN 0.094 nan 8.360 nan 0.000 0.491 339 L N 2.301 123.560 121.223 0.060 0.000 1.976 339 L HA -0.205 4.135 4.340 -0.000 0.000 0.223 339 L C -0.760 176.091 176.870 -0.030 0.000 1.081 339 L CA 2.356 57.203 54.840 0.011 0.000 0.784 339 L CB -1.058 41.005 42.059 0.006 0.000 0.896 339 L HN 0.111 nan 8.230 nan 0.000 0.438 340 P HA -0.196 nan 4.420 nan 0.000 0.228 340 P C 0.911 178.043 177.300 -0.280 0.000 1.151 340 P CA 1.637 64.590 63.100 -0.244 0.000 0.770 340 P CB -0.211 31.252 31.700 -0.394 0.000 0.786 341 Y N -0.210 120.084 120.300 -0.009 0.000 2.478 341 Y HA 0.355 4.905 4.550 -0.000 0.000 0.261 341 Y C 1.852 177.742 175.900 -0.017 0.000 1.127 341 Y CA -0.455 57.638 58.100 -0.011 0.000 1.288 341 Y CB -0.291 38.163 38.460 -0.011 0.000 1.084 341 Y HN -0.084 nan 8.280 nan 0.000 0.530 342 A N 2.064 124.944 122.820 0.100 0.000 2.429 342 A HA 0.057 4.377 4.320 -0.000 0.000 0.242 342 A C -0.983 176.612 177.584 0.017 0.000 1.088 342 A CA -0.815 51.245 52.037 0.038 0.000 0.784 342 A CB -0.336 18.658 19.000 -0.010 0.000 1.038 342 A HN 0.161 nan 8.150 nan 0.000 0.501 343 P HA -0.010 nan 4.420 nan 0.000 0.223 343 P C -0.245 177.042 177.300 -0.021 0.000 1.151 343 P CA 1.631 64.728 63.100 -0.005 0.000 0.787 343 P CB -0.029 31.665 31.700 -0.010 0.000 0.788 344 D N -1.812 118.561 120.400 -0.046 0.000 2.871 344 D HA 0.134 4.773 4.640 -0.000 0.000 0.209 344 D C 1.078 177.300 176.300 -0.130 0.000 1.292 344 D CA -0.660 53.298 54.000 -0.071 0.000 0.869 344 D CB 1.118 41.873 40.800 -0.074 0.000 1.663 344 D HN -0.383 nan 8.370 nan 0.000 0.557 345 R N 2.023 122.448 120.500 -0.125 0.000 2.133 345 R HA -0.180 4.160 4.340 -0.000 0.000 0.247 345 R C 1.994 177.978 176.300 -0.526 0.000 1.151 345 R CA 1.477 57.466 56.100 -0.185 0.000 0.971 345 R CB -0.157 30.134 30.300 -0.015 0.000 0.866 345 R HN 0.510 nan 8.270 nan 0.000 0.447 346 R N 0.829 120.866 120.500 -0.771 0.000 2.081 346 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 346 R C 2.327 178.204 176.300 -0.706 0.000 1.131 346 R CA 1.544 56.861 56.100 -1.305 0.000 0.960 346 R CB -0.252 29.538 30.300 -0.850 0.000 0.856 346 R HN 0.155 nan 8.270 nan 0.000 0.436 347 M N 0.216 119.582 119.600 -0.390 0.000 2.144 347 M HA -0.131 4.349 4.480 -0.000 0.000 0.260 347 M C 1.905 178.090 176.300 -0.192 0.000 1.067 347 M CA 2.200 57.362 55.300 -0.231 0.000 1.095 347 M CB -0.330 32.185 32.600 -0.142 0.000 1.365 347 M HN 0.387 nan 8.290 nan 0.000 0.406 348 G N -0.576 108.106 108.800 -0.197 0.000 2.433 348 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 348 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 348 G C 1.290 176.120 174.900 -0.117 0.000 1.186 348 G CA 1.105 46.134 45.100 -0.118 0.000 0.779 348 G HN 0.396 nan 8.290 nan 0.000 0.543 349 V N 1.143 120.944 119.914 -0.187 0.000 2.252 349 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 349 V C 2.715 178.748 176.094 -0.102 0.000 1.056 349 V CA 2.408 64.636 62.300 -0.121 0.000 1.022 349 V CB -0.760 30.963 31.823 -0.168 0.000 0.641 349 V HN 0.483 nan 8.190 nan 0.000 0.445 350 E N -0.647 119.447 120.200 -0.177 0.000 2.097 350 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 350 E C 2.199 178.770 176.600 -0.050 0.000 1.000 350 E CA 1.469 57.806 56.400 -0.105 0.000 0.804 350 E CB -0.227 29.394 29.700 -0.131 0.000 0.740 350 E HN 0.416 nan 8.360 nan 0.000 0.454 351 M N 0.173 119.741 119.600 -0.054 0.000 2.349 351 M HA -0.055 4.425 4.480 -0.000 0.000 0.266 351 M C 2.144 178.452 176.300 0.013 0.000 1.076 351 M CA 1.084 56.375 55.300 -0.016 0.000 1.126 351 M CB -0.408 32.181 32.600 -0.019 0.000 1.392 351 M HN 0.045 nan 8.290 nan 0.000 0.440 352 T N 1.275 115.832 114.554 0.005 0.000 2.746 352 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 352 T C 1.892 176.623 174.700 0.051 0.000 1.039 352 T CA 1.073 63.189 62.100 0.027 0.000 1.142 352 T CB -0.156 68.722 68.868 0.016 0.000 0.866 352 T HN 0.301 nan 8.240 nan 0.000 0.444 353 L N 0.232 121.480 121.223 0.042 0.000 2.109 353 L HA 0.093 4.433 4.340 -0.000 0.000 0.207 353 L C 2.326 179.239 176.870 0.072 0.000 1.086 353 L CA 0.753 55.627 54.840 0.057 0.000 0.760 353 L CB -0.404 41.681 42.059 0.044 0.000 0.910 353 L HN 0.217 nan 8.230 nan 0.000 0.437 354 L N -0.472 120.783 121.223 0.054 0.000 2.265 354 L HA -0.196 4.144 4.340 -0.000 0.000 0.215 354 L C 2.737 179.661 176.870 0.089 0.000 1.117 354 L CA 0.953 55.826 54.840 0.055 0.000 0.782 354 L CB -0.264 41.813 42.059 0.029 0.000 0.914 354 L HN 0.238 nan 8.230 nan 0.000 0.441 355 R N -0.426 120.148 120.500 0.123 0.000 2.100 355 R HA -0.059 4.281 4.340 -0.000 0.000 0.220 355 R C 2.345 178.812 176.300 0.279 0.000 1.091 355 R CA 1.066 57.296 56.100 0.216 0.000 0.986 355 R CB -0.111 30.296 30.300 0.178 0.000 0.888 355 R HN 0.294 nan 8.270 nan 0.000 0.444 356 A N 0.801 123.747 122.820 0.209 0.000 1.898 356 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 356 A C 1.909 179.656 177.584 0.272 0.000 1.181 356 A CA 0.943 53.127 52.037 0.245 0.000 0.620 356 A CB -0.457 18.657 19.000 0.190 0.000 0.819 356 A HN 0.278 nan 8.150 nan 0.000 0.442 357 L N -0.627 120.721 121.223 0.208 0.000 2.131 357 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 357 L C 2.728 179.678 176.870 0.133 0.000 1.092 357 L CA 1.799 56.754 54.840 0.191 0.000 0.759 357 L CB -0.744 41.379 42.059 0.107 0.000 0.903 357 L HN 0.398 nan 8.230 nan 0.000 0.435 358 A N -2.340 120.526 122.820 0.076 0.000 1.984 358 A HA 0.001 4.321 4.320 -0.000 0.000 0.214 358 A C 1.424 178.863 177.584 -0.242 0.000 1.173 358 A CA 0.560 52.527 52.037 -0.116 0.000 0.673 358 A CB -0.432 18.440 19.000 -0.213 0.000 0.830 358 A HN 0.323 nan 8.150 nan 0.000 0.453 359 F N -0.174 119.836 119.950 0.100 0.000 2.925 359 F HA 0.256 4.783 4.527 -0.000 0.000 0.302 359 F C 0.602 176.473 175.800 0.119 0.000 1.189 359 F CA -0.486 57.562 58.000 0.082 0.000 1.346 359 F CB -0.216 38.807 39.000 0.039 0.000 0.954 359 F HN 0.294 nan 8.300 nan 0.000 0.506 360 H N 0.518 119.701 119.070 0.189 0.000 2.652 360 H HA 0.129 4.685 4.556 -0.000 0.000 0.349 360 H C -1.555 173.857 175.328 0.140 0.000 1.099 360 H CA -1.450 54.727 56.048 0.215 0.000 1.417 360 H CB 1.318 31.187 29.762 0.179 0.000 1.457 360 H HN -0.041 nan 8.280 nan 0.000 0.568 361 P HA -0.109 nan 4.420 nan 0.000 0.214 361 P C -0.165 177.286 177.300 0.251 0.000 1.162 361 P CA 1.145 64.392 63.100 0.245 0.000 0.879 361 P CB 0.293 32.093 31.700 0.167 0.000 0.786 362 R N -0.394 120.317 120.500 0.352 0.000 2.540 362 R HA 0.415 4.755 4.340 -0.000 0.000 0.287 362 R C -0.113 176.143 176.300 -0.073 0.000 0.980 362 R CA -0.561 55.607 56.100 0.113 0.000 0.966 362 R CB 0.181 30.538 30.300 0.094 0.000 1.106 362 R HN -0.062 nan 8.270 nan 0.000 0.480 363 M N 2.553 122.110 119.600 -0.072 0.000 2.303 363 M HA -0.172 4.308 4.480 -0.000 0.000 0.189 363 M C -2.154 174.076 176.300 -0.116 0.000 0.688 363 M CA 0.122 55.354 55.300 -0.114 0.000 0.479 363 M CB -1.200 31.303 32.600 -0.162 0.000 1.094 363 M HN 0.436 nan 8.290 nan 0.000 0.907 364 P HA 0.428 nan 4.420 nan 0.000 0.278 364 P C -0.127 177.147 177.300 -0.044 0.000 1.266 364 P CA -0.675 62.414 63.100 -0.019 0.000 0.807 364 P CB 0.742 32.446 31.700 0.008 0.000 1.094 365 L N 1.430 122.622 121.223 -0.052 0.000 2.573 365 L HA 0.094 4.434 4.340 -0.000 0.000 0.290 365 L C -1.260 175.579 176.870 -0.052 0.000 1.247 365 L CA -0.991 53.817 54.840 -0.053 0.000 0.876 365 L CB -0.928 41.094 42.059 -0.062 0.000 1.123 365 L HN 0.373 nan 8.230 nan 0.000 0.505 366 P HA 0.422 nan 4.420 nan 0.000 0.285 366 P C -1.436 175.845 177.300 -0.033 0.000 1.269 366 P CA -0.697 62.383 63.100 -0.034 0.000 0.844 366 P CB 1.560 33.243 31.700 -0.027 0.000 1.094 367 E N 0.827 121.011 120.200 -0.028 0.000 2.321 367 E HA 0.415 4.765 4.350 -0.000 0.000 0.281 367 E C -1.995 174.594 176.600 -0.019 0.000 0.910 367 E CA -1.177 55.208 56.400 -0.025 0.000 0.770 367 E CB 0.930 30.613 29.700 -0.029 0.000 1.225 367 E HN 0.506 nan 8.360 nan 0.000 0.417 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 368 P CB 0.000 31.693 31.700 -0.011 0.000 0.726