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 2x3v_1_C DATA FIRST_RESID 14 DATA SEQUENCE DSFWEVGNYK RTVKRIDDGH RLCNDLMSCV QERAKIEKAY AQQLTDWAKR DATA SEQUENCE WRQLIEKGPQ YGSLERAWGA MMTEADKVSE LHQEVKNSLL NEDLEKVKNW DATA SEQUENCE QKDAYHKQIM GGFKETKEAE DGFRKAQKPW AKKMKELEAA KKAYHLACKE DATA SEQUENCE ERLAMTREMN SKTEQSVTPE QQKKLVDKVD KCRQDVQKTQ EKYEKVLEDV DATA SEQUENCE GKTTPQYMEG MEQVFEQCQQ FEEKRLVFLK EVLLDIKRHL NLAENSSYMH DATA SEQUENCE VYRELEQAIR GADAQEDLRW FRSTSGPGMP MNWPQFEEWN P 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 14 D HA 0.000 nan 4.640 nan 0.000 0.175 14 D C 0.000 176.333 176.300 0.054 0.000 2.045 14 D CA 0.000 54.025 54.000 0.042 0.000 0.868 14 D CB 0.000 40.819 40.800 0.031 0.000 0.688 15 S N 0.147 115.900 115.700 0.089 0.000 2.549 15 S HA 0.268 4.746 4.470 0.014 0.000 0.279 15 S C 1.057 175.715 174.600 0.097 0.000 1.321 15 S CA -0.545 57.730 58.200 0.124 0.000 1.054 15 S CB 0.124 63.447 63.200 0.204 0.000 0.899 15 S HN 0.207 nan 8.310 nan 0.000 0.497 16 F N 4.530 124.391 119.950 -0.149 0.000 2.147 16 F HA -0.164 4.372 4.527 0.014 0.000 0.301 16 F C 1.142 176.772 175.800 -0.282 0.000 1.084 16 F CA 1.827 59.633 58.000 -0.322 0.000 1.268 16 F CB -0.263 38.375 39.000 -0.604 0.000 1.009 16 F HN 0.763 nan 8.300 nan 0.000 0.486 17 W N 1.124 122.469 121.300 0.075 0.000 2.699 17 W HA 0.015 4.684 4.660 0.014 0.000 0.249 17 W C 1.072 177.662 176.519 0.118 0.000 1.280 17 W CA -0.227 57.136 57.345 0.030 0.000 1.345 17 W CB -0.278 29.245 29.460 0.105 0.000 1.128 17 W HN -0.167 nan 8.180 nan 0.000 0.642 18 E N 0.609 120.967 120.200 0.263 0.000 2.390 18 E HA 0.050 4.409 4.350 0.014 0.000 0.261 18 E C 0.076 176.779 176.600 0.171 0.000 1.076 18 E CA -0.157 56.380 56.400 0.230 0.000 0.905 18 E CB 1.486 31.272 29.700 0.143 0.000 0.984 18 E HN -0.282 nan 8.360 nan 0.000 0.427 19 V N 2.079 122.113 119.914 0.199 0.000 2.425 19 V HA 0.214 4.343 4.120 0.014 0.000 0.276 19 V C 1.394 177.536 176.094 0.081 0.000 1.017 19 V CA 1.613 64.021 62.300 0.181 0.000 1.062 19 V CB -0.092 31.824 31.823 0.154 0.000 0.997 19 V HN 1.017 nan 8.190 nan 0.000 0.476 20 G N 4.776 113.615 108.800 0.065 0.000 2.238 20 G HA2 -0.230 3.738 3.960 0.014 0.000 0.217 20 G HA3 -0.230 3.738 3.960 0.014 0.000 0.217 20 G C 0.653 175.301 174.900 -0.420 0.000 0.996 20 G CA 0.096 45.103 45.100 -0.155 0.000 0.632 20 G HN 0.596 nan 8.290 nan 0.000 0.503 21 N N 0.716 119.253 118.700 -0.272 0.000 2.521 21 N HA 0.097 4.845 4.740 0.014 0.000 0.188 21 N C 1.637 176.923 175.510 -0.374 0.000 1.146 21 N CA 1.035 53.917 53.050 -0.279 0.000 0.893 21 N CB -0.484 37.915 38.487 -0.146 0.000 0.975 21 N HN 0.816 nan 8.380 nan 0.000 0.451 22 Y N 1.228 121.207 120.300 -0.535 0.000 2.421 22 Y HA -0.042 4.516 4.550 0.014 0.000 0.292 22 Y C 1.963 177.606 175.900 -0.428 0.000 1.136 22 Y CA 0.623 58.277 58.100 -0.743 0.000 1.255 22 Y CB -0.442 37.263 38.460 -1.258 0.000 0.991 22 Y HN 0.018 nan 8.280 nan 0.000 0.552 23 K N 1.227 121.124 120.400 -0.838 0.000 2.113 23 K HA -0.258 4.071 4.320 0.014 0.000 0.208 23 K C 1.964 178.474 176.600 -0.150 0.000 1.047 23 K CA 1.888 57.886 56.287 -0.482 0.000 0.928 23 K CB -0.512 31.715 32.500 -0.455 0.000 0.716 23 K HN 0.353 nan 8.250 nan 0.000 0.446 24 R N 0.512 120.947 120.500 -0.107 0.000 2.091 24 R HA -0.087 4.261 4.340 0.014 0.000 0.238 24 R C 2.381 178.726 176.300 0.076 0.000 1.136 24 R CA 2.180 58.280 56.100 0.000 0.000 0.959 24 R CB -0.568 29.743 30.300 0.019 0.000 0.856 24 R HN 0.367 nan 8.270 nan 0.000 0.437 25 T N 0.473 115.101 114.554 0.122 0.000 2.788 25 T HA -0.088 4.271 4.350 0.014 0.000 0.268 25 T C 1.912 176.749 174.700 0.229 0.000 1.044 25 T CA 1.275 63.511 62.100 0.227 0.000 1.139 25 T CB -0.065 69.040 68.868 0.394 0.000 0.867 25 T HN 0.018 nan 8.240 nan 0.000 0.454 26 V N 1.299 121.342 119.914 0.215 0.000 2.453 26 V HA -0.089 4.039 4.120 0.014 0.000 0.247 26 V C 2.445 178.638 176.094 0.164 0.000 1.048 26 V CA 1.383 63.821 62.300 0.230 0.000 1.049 26 V CB -0.489 31.489 31.823 0.257 0.000 0.672 26 V HN 0.306 nan 8.190 nan 0.000 0.457 27 K N 0.992 121.459 120.400 0.112 0.000 2.103 27 K HA -0.194 4.134 4.320 0.014 0.000 0.207 27 K C 2.290 178.961 176.600 0.119 0.000 1.048 27 K CA 1.510 57.854 56.287 0.095 0.000 0.930 27 K CB -0.419 32.114 32.500 0.054 0.000 0.716 27 K HN 0.293 nan 8.250 nan 0.000 0.444 28 R N 0.510 121.088 120.500 0.131 0.000 2.120 28 R HA -0.090 4.258 4.340 0.014 0.000 0.234 28 R C 2.065 178.480 176.300 0.192 0.000 1.123 28 R CA 1.575 57.760 56.100 0.142 0.000 0.975 28 R CB -0.336 30.046 30.300 0.136 0.000 0.866 28 R HN 0.316 nan 8.270 nan 0.000 0.446 29 I N 1.115 121.818 120.570 0.222 0.000 2.226 29 I HA -0.279 3.899 4.170 0.014 0.000 0.245 29 I C 1.763 178.054 176.117 0.291 0.000 1.100 29 I CA 1.347 62.828 61.300 0.301 0.000 1.374 29 I CB -0.370 37.766 38.000 0.227 0.000 1.057 29 I HN 0.121 nan 8.210 nan 0.000 0.413 30 D N 0.989 121.523 120.400 0.223 0.000 2.097 30 D HA -0.181 4.468 4.640 0.014 0.000 0.195 30 D C 1.758 178.136 176.300 0.129 0.000 0.989 30 D CA 1.315 55.438 54.000 0.204 0.000 0.827 30 D CB -0.499 40.417 40.800 0.192 0.000 0.966 30 D HN 0.278 nan 8.370 nan 0.000 0.456 31 D N 0.383 120.857 120.400 0.123 0.000 2.172 31 D HA -0.142 4.506 4.640 0.014 0.000 0.196 31 D C 2.111 178.456 176.300 0.075 0.000 0.999 31 D CA 1.357 55.413 54.000 0.093 0.000 0.856 31 D CB -0.655 40.198 40.800 0.089 0.000 0.934 31 D HN 0.301 nan 8.370 nan 0.000 0.453 32 G N -0.110 108.760 108.800 0.116 0.000 2.440 32 G HA2 -0.321 3.647 3.960 0.014 0.000 0.218 32 G HA3 -0.321 3.647 3.960 0.014 0.000 0.218 32 G C 1.489 176.359 174.900 -0.051 0.000 1.154 32 G CA 0.955 46.144 45.100 0.148 0.000 0.767 32 G HN 0.382 nan 8.290 nan 0.000 0.552 33 H N 0.667 119.414 119.070 -0.538 0.000 2.389 33 H HA 0.001 4.565 4.556 0.014 0.000 0.299 33 H C 2.605 177.802 175.328 -0.217 0.000 1.081 33 H CA 1.402 57.027 56.048 -0.705 0.000 1.345 33 H CB 0.019 29.159 29.762 -1.038 0.000 1.393 33 H HN 0.233 nan 8.280 nan 0.000 0.520 34 R N 0.637 121.136 120.500 -0.001 0.000 2.096 34 R HA -0.103 4.245 4.340 0.014 0.000 0.235 34 R C 2.193 178.479 176.300 -0.023 0.000 1.127 34 R CA 0.613 56.727 56.100 0.023 0.000 0.968 34 R CB -0.293 30.045 30.300 0.064 0.000 0.861 34 R HN 0.262 nan 8.270 nan 0.000 0.440 35 L N 0.722 121.933 121.223 -0.019 0.000 2.046 35 L HA -0.189 4.159 4.340 0.014 0.000 0.208 35 L C 2.690 179.540 176.870 -0.033 0.000 1.077 35 L CA 1.247 56.079 54.840 -0.014 0.000 0.747 35 L CB -1.508 40.554 42.059 0.004 0.000 0.896 35 L HN 0.270 nan 8.230 nan 0.000 0.432 36 C N -0.107 119.158 119.300 -0.059 0.000 2.413 36 C HA -0.175 4.293 4.460 0.014 0.000 0.276 36 C C 2.600 177.551 174.990 -0.066 0.000 1.236 36 C CA 0.753 59.739 59.018 -0.053 0.000 1.735 36 C CB -1.089 26.610 27.740 -0.069 0.000 2.031 36 C HN 0.584 nan 8.230 nan 0.000 0.474 37 N N 1.281 119.911 118.700 -0.115 0.000 2.104 37 N HA -0.116 4.632 4.740 0.014 0.000 0.190 37 N C 1.193 176.688 175.510 -0.025 0.000 1.024 37 N CA 1.532 54.541 53.050 -0.069 0.000 0.853 37 N CB -0.648 37.804 38.487 -0.057 0.000 1.008 37 N HN 0.527 nan 8.380 nan 0.000 0.424 38 D N 0.415 120.803 120.400 -0.020 0.000 2.097 38 D HA -0.115 4.534 4.640 0.014 0.000 0.195 38 D C 2.039 178.334 176.300 -0.008 0.000 0.989 38 D CA 0.445 54.440 54.000 -0.008 0.000 0.827 38 D CB -0.467 40.330 40.800 -0.005 0.000 0.966 38 D HN 0.112 nan 8.370 nan 0.000 0.456 39 L N 0.318 121.533 121.223 -0.013 0.000 2.042 39 L HA -0.121 4.227 4.340 0.014 0.000 0.210 39 L C 2.244 179.113 176.870 -0.001 0.000 1.076 39 L CA 1.540 56.374 54.840 -0.010 0.000 0.749 39 L CB -0.461 41.590 42.059 -0.013 0.000 0.893 39 L HN 0.011 nan 8.230 nan 0.000 0.432 40 M N -1.584 118.018 119.600 0.003 0.000 2.117 40 M HA -0.221 4.267 4.480 0.014 0.000 0.262 40 M C 2.297 178.602 176.300 0.008 0.000 1.065 40 M CA 1.926 57.233 55.300 0.011 0.000 1.114 40 M CB -0.380 32.227 32.600 0.013 0.000 1.361 40 M HN 0.242 nan 8.290 nan 0.000 0.408 41 S N -0.266 115.437 115.700 0.005 0.000 2.368 41 S HA -0.194 4.284 4.470 0.014 0.000 0.225 41 S C 2.020 176.623 174.600 0.005 0.000 1.030 41 S CA 1.318 59.522 58.200 0.006 0.000 0.999 41 S CB -0.586 62.617 63.200 0.006 0.000 0.844 41 S HN 0.611 nan 8.310 nan 0.000 0.459 42 C N 1.804 121.105 119.300 0.001 0.000 2.413 42 C HA -0.077 4.391 4.460 0.014 0.000 0.277 42 C C 2.849 177.840 174.990 0.002 0.000 1.228 42 C CA 1.337 60.355 59.018 -0.001 0.000 1.731 42 C CB -1.351 26.385 27.740 -0.006 0.000 2.042 42 C HN 0.549 nan 8.230 nan 0.000 0.468 43 V N -0.308 119.608 119.914 0.003 0.000 2.515 43 V HA -0.203 3.925 4.120 0.014 0.000 0.250 43 V C 2.266 178.365 176.094 0.009 0.000 1.058 43 V CA 2.449 64.753 62.300 0.007 0.000 1.064 43 V CB -1.233 30.596 31.823 0.009 0.000 0.675 43 V HN 0.760 nan 8.190 nan 0.000 0.461 44 Q N 0.401 120.206 119.800 0.009 0.000 2.079 44 Q HA -0.203 4.145 4.340 0.014 0.000 0.200 44 Q C 2.325 178.332 176.000 0.012 0.000 0.974 44 Q CA 2.024 57.833 55.803 0.011 0.000 0.840 44 Q CB -0.174 28.572 28.738 0.012 0.000 0.898 44 Q HN 0.797 nan 8.270 nan 0.000 0.430 45 E N -0.214 119.992 120.200 0.009 0.000 2.204 45 E HA -0.209 4.149 4.350 0.014 0.000 0.195 45 E C 2.011 178.617 176.600 0.009 0.000 0.990 45 E CA 0.726 57.131 56.400 0.008 0.000 0.821 45 E CB 0.064 29.767 29.700 0.005 0.000 0.750 45 E HN 0.092 nan 8.360 nan 0.000 0.477 46 R N 1.056 121.561 120.500 0.009 0.000 2.093 46 R HA 0.015 4.363 4.340 0.014 0.000 0.224 46 R C 1.964 178.279 176.300 0.024 0.000 1.101 46 R CA 1.406 57.514 56.100 0.013 0.000 0.979 46 R CB -0.585 29.722 30.300 0.012 0.000 0.877 46 R HN 0.101 nan 8.270 nan 0.000 0.441 47 A N 0.947 123.781 122.820 0.023 0.000 1.940 47 A HA -0.198 4.131 4.320 0.014 0.000 0.219 47 A C 2.111 179.716 177.584 0.034 0.000 1.176 47 A CA 1.789 53.844 52.037 0.029 0.000 0.631 47 A CB -0.563 18.447 19.000 0.017 0.000 0.814 47 A HN 0.410 nan 8.150 nan 0.000 0.446 48 K N -0.399 120.017 120.400 0.026 0.000 2.097 48 K HA -0.041 4.287 4.320 0.014 0.000 0.205 48 K C 1.778 178.396 176.600 0.031 0.000 1.050 48 K CA 1.353 57.656 56.287 0.026 0.000 0.938 48 K CB -0.265 32.247 32.500 0.019 0.000 0.718 48 K HN 0.509 nan 8.250 nan 0.000 0.442 49 I N 0.829 121.415 120.570 0.025 0.000 2.315 49 I HA -0.216 3.963 4.170 0.014 0.000 0.248 49 I C 2.142 178.283 176.117 0.040 0.000 1.117 49 I CA 1.109 62.420 61.300 0.019 0.000 1.404 49 I CB -0.082 37.917 38.000 -0.002 0.000 1.071 49 I HN 0.212 nan 8.210 nan 0.000 0.419 50 E N 0.985 121.222 120.200 0.062 0.000 2.072 50 E HA -0.217 4.141 4.350 0.014 0.000 0.190 50 E C 2.135 178.808 176.600 0.122 0.000 0.982 50 E CA 1.069 57.537 56.400 0.113 0.000 0.803 50 E CB -0.027 29.764 29.700 0.150 0.000 0.755 50 E HN 0.180 nan 8.360 nan 0.000 0.453 51 K N -0.182 120.270 120.400 0.086 0.000 2.097 51 K HA -0.132 4.196 4.320 0.014 0.000 0.206 51 K C 1.951 178.589 176.600 0.063 0.000 1.049 51 K CA 1.133 57.461 56.287 0.069 0.000 0.933 51 K CB -0.125 32.404 32.500 0.049 0.000 0.717 51 K HN 0.152 nan 8.250 nan 0.000 0.442 52 A N 0.623 123.483 122.820 0.067 0.000 1.858 52 A HA -0.217 4.111 4.320 0.014 0.000 0.216 52 A C 2.076 179.718 177.584 0.095 0.000 1.190 52 A CA 1.495 53.572 52.037 0.067 0.000 0.617 52 A CB -1.088 17.946 19.000 0.057 0.000 0.827 52 A HN 0.580 nan 8.150 nan 0.000 0.443 53 Y N 0.460 120.729 120.300 -0.052 0.000 2.128 53 Y HA -0.207 4.347 4.550 0.008 0.000 0.284 53 Y C 2.690 178.557 175.900 -0.055 0.000 1.154 53 Y CA 1.495 59.539 58.100 -0.093 0.000 1.149 53 Y CB -0.263 38.071 38.460 -0.210 0.000 0.976 53 Y HN 0.362 nan 8.280 nan 0.000 0.505 54 A N 0.017 122.791 122.820 -0.078 0.000 1.892 54 A HA -0.333 3.995 4.320 0.014 0.000 0.218 54 A C 2.065 179.612 177.584 -0.061 0.000 1.188 54 A CA 2.153 54.136 52.037 -0.091 0.000 0.631 54 A CB -0.968 18.054 19.000 0.036 0.000 0.822 54 A HN 0.598 nan 8.150 nan 0.000 0.447 55 Q N -0.395 119.400 119.800 -0.009 0.000 2.079 55 Q HA -0.145 4.203 4.340 0.014 0.000 0.200 55 Q C 2.180 178.192 176.000 0.020 0.000 0.974 55 Q CA 2.034 57.844 55.803 0.013 0.000 0.840 55 Q CB -0.400 28.354 28.738 0.026 0.000 0.898 55 Q HN 0.740 nan 8.270 nan 0.000 0.430 56 Q N -0.339 119.472 119.800 0.018 0.000 2.135 56 Q HA -0.159 4.189 4.340 0.014 0.000 0.204 56 Q C 2.132 178.162 176.000 0.051 0.000 0.981 56 Q CA 1.445 57.276 55.803 0.046 0.000 0.856 56 Q CB -0.137 28.638 28.738 0.063 0.000 0.902 56 Q HN 0.415 nan 8.270 nan 0.000 0.425 57 L N -0.186 121.000 121.223 -0.060 0.000 2.056 57 L HA -0.175 4.173 4.340 0.014 0.000 0.207 57 L C 2.475 179.433 176.870 0.147 0.000 1.078 57 L CA 1.237 56.065 54.840 -0.020 0.000 0.749 57 L CB -0.609 41.324 42.059 -0.210 0.000 0.901 57 L HN 0.199 nan 8.230 nan 0.000 0.433 58 T N -0.829 113.769 114.554 0.074 0.000 2.708 58 T HA -0.182 4.177 4.350 0.014 0.000 0.266 58 T C 1.438 176.198 174.700 0.100 0.000 1.037 58 T CA 1.573 63.720 62.100 0.078 0.000 1.146 58 T CB -0.256 68.635 68.868 0.038 0.000 0.865 58 T HN 0.328 nan 8.240 nan 0.000 0.435 59 D N -0.186 120.279 120.400 0.108 0.000 2.144 59 D HA -0.082 4.566 4.640 0.014 0.000 0.199 59 D C 1.611 178.006 176.300 0.158 0.000 0.984 59 D CA 0.710 54.770 54.000 0.100 0.000 0.834 59 D CB -0.355 40.499 40.800 0.091 0.000 0.955 59 D HN 0.530 nan 8.370 nan 0.000 0.465 60 W N 1.973 123.306 121.300 0.054 0.000 2.379 60 W HA -0.058 4.607 4.660 0.010 0.000 0.307 60 W C 2.404 179.021 176.519 0.164 0.000 1.200 60 W CA 2.133 59.566 57.345 0.146 0.000 1.297 60 W CB -0.285 29.268 29.460 0.156 0.000 1.140 60 W HN -0.043 nan 8.180 nan 0.000 0.507 61 A N 0.704 123.650 122.820 0.210 0.000 1.845 61 A HA -0.259 4.069 4.320 0.014 0.000 0.215 61 A C 2.054 179.577 177.584 -0.102 0.000 1.195 61 A CA 2.238 54.269 52.037 -0.010 0.000 0.616 61 A CB -1.214 17.845 19.000 0.098 0.000 0.832 61 A HN 0.367 nan 8.150 nan 0.000 0.443 62 K N -0.415 119.956 120.400 -0.048 0.000 2.020 62 K HA -0.254 4.074 4.320 0.014 0.000 0.212 62 K C 2.367 178.876 176.600 -0.152 0.000 1.050 62 K CA 1.945 58.182 56.287 -0.083 0.000 0.929 62 K CB -0.249 32.222 32.500 -0.048 0.000 0.714 62 K HN 0.459 nan 8.250 nan 0.000 0.443 63 R N -0.551 119.840 120.500 -0.182 0.000 2.080 63 R HA -0.174 4.174 4.340 0.014 0.000 0.236 63 R C 1.946 177.952 176.300 -0.490 0.000 1.137 63 R CA 2.271 58.173 56.100 -0.329 0.000 0.943 63 R CB -0.475 29.618 30.300 -0.345 0.000 0.846 63 R HN 0.377 nan 8.270 nan 0.000 0.431 64 W N 0.186 121.218 121.300 -0.446 0.000 2.584 64 W HA 0.148 4.814 4.660 0.011 0.000 0.264 64 W C 2.488 178.693 176.519 -0.523 0.000 1.264 64 W CA 0.135 57.148 57.345 -0.553 0.000 1.306 64 W CB 0.089 29.035 29.460 -0.857 0.000 1.110 64 W HN 0.136 nan 8.180 nan 0.000 0.606 65 R N 0.248 120.608 120.500 -0.234 0.000 2.081 65 R HA -0.188 4.161 4.340 0.014 0.000 0.235 65 R C 2.230 178.405 176.300 -0.209 0.000 1.131 65 R CA 1.344 57.312 56.100 -0.220 0.000 0.960 65 R CB -0.265 29.937 30.300 -0.164 0.000 0.856 65 R HN 0.188 nan 8.270 nan 0.000 0.436 66 Q N 0.062 119.735 119.800 -0.211 0.000 2.016 66 Q HA -0.127 4.221 4.340 0.014 0.000 0.200 66 Q C 2.138 178.010 176.000 -0.212 0.000 0.978 66 Q CA 1.030 56.718 55.803 -0.192 0.000 0.833 66 Q CB -0.098 28.528 28.738 -0.188 0.000 0.895 66 Q HN 0.201 nan 8.270 nan 0.000 0.427 67 L N 0.625 121.671 121.223 -0.296 0.000 2.042 67 L HA -0.174 4.174 4.340 0.014 0.000 0.210 67 L C 2.273 179.035 176.870 -0.181 0.000 1.076 67 L CA 1.459 56.129 54.840 -0.283 0.000 0.749 67 L CB -0.928 40.794 42.059 -0.562 0.000 0.893 67 L HN 0.195 nan 8.230 nan 0.000 0.432 68 I N -0.970 119.441 120.570 -0.266 0.000 2.163 68 I HA -0.266 3.913 4.170 0.014 0.000 0.240 68 I C 2.272 178.264 176.117 -0.208 0.000 1.081 68 I CA 1.151 62.203 61.300 -0.414 0.000 1.353 68 I CB -0.206 37.330 38.000 -0.773 0.000 1.054 68 I HN 0.278 nan 8.210 nan 0.000 0.407 69 E N 0.396 120.489 120.200 -0.179 0.000 2.204 69 E HA -0.189 4.169 4.350 0.014 0.000 0.194 69 E C 1.018 177.584 176.600 -0.057 0.000 0.989 69 E CA 0.577 56.915 56.400 -0.103 0.000 0.824 69 E CB 0.079 29.716 29.700 -0.104 0.000 0.756 69 E HN 0.066 nan 8.360 nan 0.000 0.477 70 K N 0.835 121.194 120.400 -0.067 0.000 3.216 70 K HA 0.131 4.459 4.320 0.014 0.000 0.277 70 K C -0.309 176.291 176.600 -0.000 0.000 1.246 70 K CA 0.345 56.610 56.287 -0.037 0.000 1.227 70 K CB -0.095 32.370 32.500 -0.058 0.000 1.487 70 K HN 0.225 nan 8.250 nan 0.000 0.341 71 G N 1.228 110.048 108.800 0.032 0.000 2.880 71 G HA2 -0.201 3.767 3.960 0.014 0.000 0.617 71 G HA3 -0.201 3.767 3.960 0.014 0.000 0.617 71 G C -1.914 173.045 174.900 0.098 0.000 1.493 71 G CA -0.523 44.627 45.100 0.082 0.000 0.916 71 G HN 0.293 nan 8.290 nan 0.000 0.553 72 P HA 0.154 nan 4.420 nan 0.000 0.257 72 P C 0.593 178.063 177.300 0.283 0.000 1.241 72 P CA 0.283 63.497 63.100 0.189 0.000 0.816 72 P CB 0.417 32.217 31.700 0.168 0.000 1.150 73 Q N 1.594 121.545 119.800 0.252 0.000 2.337 73 Q HA 0.202 4.551 4.340 0.014 0.000 0.270 73 Q C -0.652 175.480 176.000 0.220 0.000 1.002 73 Q CA 0.178 56.121 55.803 0.234 0.000 0.888 73 Q CB -0.100 28.816 28.738 0.297 0.000 1.222 73 Q HN 0.287 nan 8.270 nan 0.000 0.400 74 Y N 1.270 121.603 120.300 0.055 0.000 2.644 74 Y HA 0.816 5.374 4.550 0.014 0.000 0.338 74 Y C 0.491 176.323 175.900 -0.114 0.000 1.119 74 Y CA -0.728 57.345 58.100 -0.046 0.000 1.060 74 Y CB 0.574 39.025 38.460 -0.016 0.000 1.294 74 Y HN 0.894 nan 8.280 nan 0.000 0.472 75 G N 0.988 109.697 108.800 -0.152 0.000 2.562 75 G HA2 -0.277 3.691 3.960 0.014 0.000 0.250 75 G HA3 -0.277 3.691 3.960 0.014 0.000 0.250 75 G C 0.877 175.677 174.900 -0.167 0.000 1.269 75 G CA 0.918 45.877 45.100 -0.235 0.000 0.919 75 G HN 1.760 nan 8.290 nan 0.000 0.574 76 S N -0.766 114.854 115.700 -0.133 0.000 2.383 76 S HA 0.021 4.499 4.470 0.014 0.000 0.227 76 S C 2.373 176.934 174.600 -0.065 0.000 1.026 76 S CA 1.821 59.972 58.200 -0.082 0.000 0.981 76 S CB -0.140 63.027 63.200 -0.055 0.000 0.818 76 S HN 0.710 nan 8.310 nan 0.000 0.472 77 L N 1.962 123.129 121.223 -0.094 0.000 2.201 77 L HA 0.036 4.385 4.340 0.014 0.000 0.212 77 L C 2.762 179.653 176.870 0.035 0.000 1.105 77 L CA 1.720 56.528 54.840 -0.053 0.000 0.775 77 L CB -1.477 40.516 42.059 -0.109 0.000 0.913 77 L HN 0.566 nan 8.230 nan 0.000 0.440 78 E N 0.235 120.435 120.200 -0.000 0.000 2.058 78 E HA -0.249 4.109 4.350 0.014 0.000 0.194 78 E C 2.255 178.879 176.600 0.041 0.000 0.997 78 E CA 1.343 57.777 56.400 0.056 0.000 0.801 78 E CB 0.146 29.839 29.700 -0.010 0.000 0.746 78 E HN 0.355 nan 8.360 nan 0.000 0.450 79 R N 0.012 120.510 120.500 -0.003 0.000 2.092 79 R HA -0.030 4.318 4.340 0.014 0.000 0.231 79 R C 2.336 178.651 176.300 0.025 0.000 1.119 79 R CA 1.067 57.161 56.100 -0.009 0.000 0.970 79 R CB -0.266 30.016 30.300 -0.030 0.000 0.864 79 R HN 0.168 nan 8.270 nan 0.000 0.440 80 A N 0.549 123.395 122.820 0.043 0.000 1.858 80 A HA -0.210 4.119 4.320 0.014 0.000 0.216 80 A C 1.819 179.488 177.584 0.142 0.000 1.190 80 A CA 1.270 53.343 52.037 0.061 0.000 0.617 80 A CB -0.875 18.144 19.000 0.032 0.000 0.827 80 A HN 0.546 nan 8.150 nan 0.000 0.443 81 W N 0.885 122.149 121.300 -0.060 0.000 2.358 81 W HA -0.040 4.628 4.660 0.013 0.000 0.303 81 W C 2.192 178.674 176.519 -0.062 0.000 1.208 81 W CA 1.285 58.593 57.345 -0.062 0.000 1.274 81 W CB -0.944 28.473 29.460 -0.072 0.000 1.138 81 W HN 0.257 nan 8.180 nan 0.000 0.515 82 G N -0.055 108.773 108.800 0.045 0.000 2.509 82 G HA2 -0.058 3.910 3.960 0.014 0.000 0.218 82 G HA3 -0.058 3.910 3.960 0.014 0.000 0.218 82 G C 1.649 176.526 174.900 -0.039 0.000 1.124 82 G CA 1.004 46.047 45.100 -0.095 0.000 0.776 82 G HN 0.360 nan 8.290 nan 0.000 0.547 83 A N 0.521 123.351 122.820 0.017 0.000 1.933 83 A HA 0.022 4.350 4.320 0.014 0.000 0.218 83 A C 2.264 179.866 177.584 0.031 0.000 1.175 83 A CA 1.820 53.865 52.037 0.013 0.000 0.628 83 A CB -0.328 18.684 19.000 0.019 0.000 0.814 83 A HN 0.353 nan 8.150 nan 0.000 0.444 84 M N -1.550 118.102 119.600 0.088 0.000 2.143 84 M HA -0.220 4.269 4.480 0.014 0.000 0.258 84 M C 1.949 178.359 176.300 0.184 0.000 1.071 84 M CA 1.871 57.270 55.300 0.165 0.000 1.088 84 M CB -0.352 32.412 32.600 0.274 0.000 1.360 84 M HN 0.375 nan 8.290 nan 0.000 0.404 85 M N -1.055 118.567 119.600 0.036 0.000 2.229 85 M HA -0.111 4.377 4.480 0.014 0.000 0.264 85 M C 2.186 178.515 176.300 0.048 0.000 1.063 85 M CA 1.960 57.261 55.300 0.001 0.000 1.114 85 M CB -0.982 31.536 32.600 -0.137 0.000 1.387 85 M HN 0.517 nan 8.290 nan 0.000 0.420 86 T N -1.662 112.898 114.554 0.010 0.000 2.942 86 T HA -0.091 4.267 4.350 0.014 0.000 0.265 86 T C 1.560 176.244 174.700 -0.026 0.000 1.062 86 T CA 1.274 63.368 62.100 -0.010 0.000 1.139 86 T CB -0.388 68.462 68.868 -0.030 0.000 0.883 86 T HN 0.472 nan 8.240 nan 0.000 0.468 87 E N 2.665 122.839 120.200 -0.044 0.000 2.150 87 E HA 0.143 4.502 4.350 0.014 0.000 0.193 87 E C 2.248 178.817 176.600 -0.052 0.000 0.985 87 E CA 1.178 57.491 56.400 -0.145 0.000 0.814 87 E CB -0.982 28.538 29.700 -0.299 0.000 0.752 87 E HN 0.567 nan 8.360 nan 0.000 0.466 88 A N 1.182 124.057 122.820 0.091 0.000 1.902 88 A HA -0.208 4.120 4.320 0.014 0.000 0.217 88 A C 1.886 179.515 177.584 0.075 0.000 1.181 88 A CA 1.795 53.918 52.037 0.143 0.000 0.623 88 A CB -0.728 18.536 19.000 0.440 0.000 0.818 88 A HN 0.247 nan 8.150 nan 0.000 0.443 89 D N -0.187 120.251 120.400 0.064 0.000 2.117 89 D HA -0.103 4.545 4.640 0.014 0.000 0.197 89 D C 1.917 178.226 176.300 0.016 0.000 0.987 89 D CA 1.099 55.118 54.000 0.032 0.000 0.829 89 D CB -0.142 40.668 40.800 0.018 0.000 0.961 89 D HN 0.307 nan 8.370 nan 0.000 0.460 90 K N 0.462 120.859 120.400 -0.005 0.000 2.155 90 K HA -0.010 4.318 4.320 0.014 0.000 0.203 90 K C 2.192 178.807 176.600 0.025 0.000 1.052 90 K CA 0.255 56.536 56.287 -0.010 0.000 0.948 90 K CB -0.250 32.215 32.500 -0.058 0.000 0.728 90 K HN 0.102 nan 8.250 nan 0.000 0.448 91 V N 1.233 121.170 119.914 0.038 0.000 2.358 91 V HA -0.203 3.925 4.120 0.014 0.000 0.246 91 V C 2.608 178.805 176.094 0.172 0.000 1.047 91 V CA 1.881 64.272 62.300 0.153 0.000 1.035 91 V CB -0.431 31.512 31.823 0.200 0.000 0.658 91 V HN 0.361 nan 8.190 nan 0.000 0.452 92 S N -0.185 115.553 115.700 0.063 0.000 2.359 92 S HA -0.330 4.148 4.470 0.014 0.000 0.223 92 S C 2.137 176.785 174.600 0.080 0.000 1.039 92 S CA 2.291 60.515 58.200 0.040 0.000 1.042 92 S CB -0.452 62.747 63.200 -0.001 0.000 0.915 92 S HN 0.721 nan 8.310 nan 0.000 0.439 93 E N 0.350 120.584 120.200 0.056 0.000 2.086 93 E HA -0.217 4.142 4.350 0.014 0.000 0.200 93 E C 2.185 178.818 176.600 0.054 0.000 1.012 93 E CA 1.765 58.194 56.400 0.048 0.000 0.812 93 E CB -0.382 29.338 29.700 0.034 0.000 0.743 93 E HN 0.642 nan 8.360 nan 0.000 0.453 94 L N -0.457 120.799 121.223 0.056 0.000 2.083 94 L HA -0.173 4.176 4.340 0.014 0.000 0.209 94 L C 2.397 179.234 176.870 -0.055 0.000 1.083 94 L CA 1.512 56.355 54.840 0.006 0.000 0.752 94 L CB -0.360 41.709 42.059 0.018 0.000 0.899 94 L HN 0.246 nan 8.230 nan 0.000 0.433 95 H N -1.552 117.570 119.070 0.087 0.000 2.502 95 H HA -0.056 4.511 4.556 0.018 0.000 0.283 95 H C 2.218 177.581 175.328 0.058 0.000 1.015 95 H CA 0.490 56.592 56.048 0.091 0.000 1.298 95 H CB 0.309 30.156 29.762 0.142 0.000 1.411 95 H HN 0.213 nan 8.280 nan 0.000 0.556 96 Q N 0.562 120.444 119.800 0.136 0.000 2.172 96 Q HA -0.146 4.202 4.340 0.014 0.000 0.200 96 Q C 2.009 178.035 176.000 0.044 0.000 0.964 96 Q CA 1.485 57.334 55.803 0.077 0.000 0.855 96 Q CB 0.109 28.880 28.738 0.055 0.000 0.918 96 Q HN 0.801 nan 8.270 nan 0.000 0.444 97 E N -0.343 119.876 120.200 0.032 0.000 2.158 97 E HA -0.064 4.294 4.350 0.014 0.000 0.191 97 E C 1.992 178.584 176.600 -0.014 0.000 0.982 97 E CA 0.853 57.256 56.400 0.005 0.000 0.823 97 E CB -0.315 29.390 29.700 0.009 0.000 0.766 97 E HN -0.039 nan 8.360 nan 0.000 0.468 98 V N 2.110 122.027 119.914 0.006 0.000 2.255 98 V HA -0.326 3.803 4.120 0.014 0.000 0.247 98 V C 2.660 178.752 176.094 -0.004 0.000 1.051 98 V CA 2.352 64.658 62.300 0.010 0.000 1.018 98 V CB -0.740 31.114 31.823 0.051 0.000 0.641 98 V HN 0.352 nan 8.190 nan 0.000 0.445 99 K N 0.197 120.615 120.400 0.031 0.000 2.001 99 K HA -0.280 4.048 4.320 0.014 0.000 0.214 99 K C 2.095 178.682 176.600 -0.022 0.000 1.050 99 K CA 2.217 58.515 56.287 0.018 0.000 0.934 99 K CB -0.368 32.156 32.500 0.041 0.000 0.718 99 K HN 0.438 nan 8.250 nan 0.000 0.443 100 N N 0.602 119.286 118.700 -0.027 0.000 2.061 100 N HA -0.142 4.607 4.740 0.014 0.000 0.193 100 N C 1.938 177.386 175.510 -0.104 0.000 1.030 100 N CA 1.717 54.739 53.050 -0.046 0.000 0.856 100 N CB -0.517 37.951 38.487 -0.032 0.000 1.023 100 N HN 0.199 nan 8.380 nan 0.000 0.424 101 S N 1.065 116.654 115.700 -0.185 0.000 2.348 101 S HA -0.061 4.418 4.470 0.014 0.000 0.221 101 S C 1.993 176.373 174.600 -0.368 0.000 1.033 101 S CA 0.606 58.557 58.200 -0.416 0.000 1.010 101 S CB -0.318 62.413 63.200 -0.782 0.000 0.891 101 S HN 0.120 nan 8.310 nan 0.000 0.442 102 L N 1.379 122.468 121.223 -0.224 0.000 2.051 102 L HA -0.118 4.230 4.340 0.014 0.000 0.214 102 L C 2.133 178.970 176.870 -0.055 0.000 1.076 102 L CA 1.635 56.420 54.840 -0.091 0.000 0.758 102 L CB -1.136 40.906 42.059 -0.028 0.000 0.890 102 L HN 0.324 nan 8.230 nan 0.000 0.433 103 L N -1.466 119.728 121.223 -0.050 0.000 2.102 103 L HA -0.060 4.288 4.340 0.014 0.000 0.202 103 L C 2.056 178.915 176.870 -0.019 0.000 1.076 103 L CA 0.657 55.484 54.840 -0.021 0.000 0.761 103 L CB -0.487 41.566 42.059 -0.011 0.000 0.921 103 L HN 0.278 nan 8.230 nan 0.000 0.444 104 N N -0.250 118.428 118.700 -0.037 0.000 2.354 104 N HA -0.085 4.663 4.740 0.014 0.000 0.179 104 N C 1.441 176.942 175.510 -0.015 0.000 1.021 104 N CA 0.899 53.936 53.050 -0.022 0.000 0.887 104 N CB 0.247 38.718 38.487 -0.026 0.000 0.974 104 N HN 0.481 nan 8.380 nan 0.000 0.437 105 E N 0.053 120.228 120.200 -0.042 0.000 2.290 105 E HA 0.047 4.405 4.350 0.014 0.000 0.195 105 E C 0.731 177.352 176.600 0.035 0.000 0.938 105 E CA 0.072 56.471 56.400 -0.001 0.000 1.018 105 E CB 0.199 29.889 29.700 -0.017 0.000 1.042 105 E HN 0.071 nan 8.360 nan 0.000 0.483 106 D N 1.414 121.826 120.400 0.019 0.000 2.084 106 D HA -0.124 4.524 4.640 0.014 0.000 0.196 106 D C 2.101 178.433 176.300 0.052 0.000 0.985 106 D CA 0.719 54.750 54.000 0.052 0.000 0.826 106 D CB -0.199 40.640 40.800 0.065 0.000 0.978 106 D HN -0.011 nan 8.370 nan 0.000 0.456 107 L N 1.469 122.713 121.223 0.035 0.000 2.012 107 L HA -0.171 4.177 4.340 0.014 0.000 0.210 107 L C 2.036 178.947 176.870 0.067 0.000 1.073 107 L CA 1.726 56.593 54.840 0.043 0.000 0.748 107 L CB -0.328 41.747 42.059 0.026 0.000 0.891 107 L HN -0.134 nan 8.230 nan 0.000 0.431 108 E N -0.059 120.179 120.200 0.062 0.000 2.085 108 E HA -0.273 4.086 4.350 0.014 0.000 0.194 108 E C 2.176 178.850 176.600 0.124 0.000 0.994 108 E CA 1.187 57.634 56.400 0.078 0.000 0.801 108 E CB -0.336 29.401 29.700 0.061 0.000 0.743 108 E HN 0.516 nan 8.360 nan 0.000 0.453 109 K N 0.902 121.390 120.400 0.147 0.000 2.009 109 K HA -0.140 4.189 4.320 0.014 0.000 0.210 109 K C 2.184 179.016 176.600 0.386 0.000 1.049 109 K CA 1.419 57.854 56.287 0.247 0.000 0.929 109 K CB -0.066 32.552 32.500 0.197 0.000 0.714 109 K HN -0.039 nan 8.250 nan 0.000 0.440 110 V N 1.786 121.893 119.914 0.321 0.000 2.295 110 V HA -0.255 3.874 4.120 0.014 0.000 0.246 110 V C 2.518 178.746 176.094 0.224 0.000 1.049 110 V CA 1.934 64.430 62.300 0.327 0.000 1.024 110 V CB -0.504 31.436 31.823 0.194 0.000 0.648 110 V HN 0.411 nan 8.190 nan 0.000 0.447 111 K N 0.102 120.592 120.400 0.151 0.000 2.063 111 K HA -0.223 4.105 4.320 0.014 0.000 0.208 111 K C 1.988 178.648 176.600 0.100 0.000 1.048 111 K CA 1.825 58.173 56.287 0.102 0.000 0.928 111 K CB -0.168 32.378 32.500 0.077 0.000 0.713 111 K HN 0.446 nan 8.250 nan 0.000 0.442 112 N N -0.273 118.498 118.700 0.118 0.000 2.300 112 N HA -0.143 4.606 4.740 0.014 0.000 0.179 112 N C 1.314 176.853 175.510 0.048 0.000 1.016 112 N CA 0.856 53.956 53.050 0.084 0.000 0.876 112 N CB -0.302 38.242 38.487 0.095 0.000 0.979 112 N HN 0.357 nan 8.380 nan 0.000 0.432 113 W N 2.333 123.548 121.300 -0.141 0.000 2.388 113 W HA -0.077 4.591 4.660 0.013 0.000 0.294 113 W C 2.429 178.782 176.519 -0.276 0.000 1.212 113 W CA 1.128 58.253 57.345 -0.368 0.000 1.271 113 W CB -0.124 28.741 29.460 -0.992 0.000 1.126 113 W HN 0.105 nan 8.180 nan 0.000 0.535 114 Q N 0.623 120.486 119.800 0.105 0.000 2.084 114 Q HA -0.254 4.094 4.340 0.014 0.000 0.202 114 Q C 2.131 178.089 176.000 -0.070 0.000 0.978 114 Q CA 1.937 57.785 55.803 0.075 0.000 0.844 114 Q CB -0.231 28.559 28.738 0.086 0.000 0.898 114 Q HN 0.270 nan 8.270 nan 0.000 0.426 115 K N 0.106 120.467 120.400 -0.066 0.000 2.063 115 K HA -0.169 4.160 4.320 0.014 0.000 0.208 115 K C 1.577 178.040 176.600 -0.228 0.000 1.048 115 K CA 1.603 57.846 56.287 -0.073 0.000 0.928 115 K CB 0.053 32.547 32.500 -0.011 0.000 0.713 115 K HN 0.293 nan 8.250 nan 0.000 0.442 116 D N 0.053 120.255 120.400 -0.330 0.000 2.183 116 D HA -0.031 4.618 4.640 0.014 0.000 0.205 116 D C 1.791 177.717 176.300 -0.623 0.000 0.962 116 D CA 0.913 54.695 54.000 -0.364 0.000 0.849 116 D CB -0.089 40.511 40.800 -0.335 0.000 0.978 116 D HN 0.161 nan 8.370 nan 0.000 0.488 117 A N -0.038 122.217 122.820 -0.941 0.000 1.873 117 A HA -0.097 4.232 4.320 0.014 0.000 0.215 117 A C 0.329 177.341 177.584 -0.953 0.000 1.186 117 A CA 1.017 52.376 52.037 -1.131 0.000 0.616 117 A CB -0.407 17.459 19.000 -1.889 0.000 0.823 117 A HN 0.187 nan 8.150 nan 0.000 0.442 118 Y N -1.088 118.848 120.300 -0.606 0.000 2.393 118 Y HA 0.569 5.127 4.550 0.014 0.000 0.341 118 Y C -0.642 174.897 175.900 -0.600 0.000 0.988 118 Y CA -0.748 57.028 58.100 -0.541 0.000 1.078 118 Y CB 1.451 39.537 38.460 -0.624 0.000 1.203 118 Y HN 0.300 nan 8.280 nan 0.000 0.453 119 H N 1.397 120.592 119.070 0.208 0.000 2.970 119 H HA 0.296 4.860 4.556 0.014 0.000 0.315 119 H C -0.634 174.888 175.328 0.324 0.000 0.992 119 H CA -1.090 55.083 56.048 0.208 0.000 1.363 119 H CB 1.064 30.873 29.762 0.080 0.000 1.532 119 H HN 0.260 nan 8.280 nan 0.000 0.514 120 K N 2.714 123.343 120.400 0.382 0.000 2.350 120 K HA 0.117 4.445 4.320 0.014 0.000 0.279 120 K C -0.235 176.406 176.600 0.069 0.000 1.027 120 K CA -0.059 56.301 56.287 0.122 0.000 0.969 120 K CB 0.778 33.263 32.500 -0.025 0.000 0.954 120 K HN 0.743 nan 8.250 nan 0.000 0.474 121 Q N 3.509 123.308 119.800 -0.002 0.000 2.257 121 Q HA 0.188 4.537 4.340 0.014 0.000 0.255 121 Q C 1.571 177.546 176.000 -0.042 0.000 0.920 121 Q CA -0.309 55.490 55.803 -0.007 0.000 0.927 121 Q CB 1.255 29.990 28.738 -0.006 0.000 1.229 121 Q HN 0.618 nan 8.270 nan 0.000 0.433 122 I N -1.060 119.495 120.570 -0.024 0.000 2.423 122 I HA -0.182 3.996 4.170 0.014 0.000 0.254 122 I C 0.816 176.910 176.117 -0.038 0.000 1.151 122 I CA 1.279 62.560 61.300 -0.031 0.000 1.421 122 I CB -0.048 37.943 38.000 -0.015 0.000 1.079 122 I HN 0.538 nan 8.210 nan 0.000 0.431 123 M N 1.701 121.282 119.600 -0.032 0.000 2.551 123 M HA 0.406 4.894 4.480 0.014 0.000 0.252 123 M C 0.640 176.917 176.300 -0.039 0.000 1.219 123 M CA 0.163 55.445 55.300 -0.030 0.000 0.978 123 M CB -0.344 32.245 32.600 -0.019 0.000 1.533 123 M HN 0.546 nan 8.290 nan 0.000 0.474 124 G N -0.988 107.775 108.800 -0.061 0.000 2.512 124 G HA2 0.509 4.477 3.960 0.014 0.000 0.186 124 G HA3 0.509 4.477 3.960 0.014 0.000 0.186 124 G C -0.397 174.420 174.900 -0.138 0.000 1.189 124 G CA -0.131 44.925 45.100 -0.073 0.000 0.994 124 G HN 0.298 nan 8.290 nan 0.000 0.506 125 G N -0.932 107.779 108.800 -0.147 0.000 2.849 125 G HA2 0.572 4.540 3.960 0.014 0.000 0.174 125 G HA3 0.572 4.540 3.960 0.014 0.000 0.174 125 G C -0.724 173.989 174.900 -0.311 0.000 1.370 125 G CA -0.928 43.995 45.100 -0.296 0.000 1.040 125 G HN 0.405 nan 8.290 nan 0.000 0.582 126 F N 0.509 120.454 119.950 -0.009 0.000 2.399 126 F HA 0.317 4.851 4.527 0.013 0.000 0.342 126 F C 1.807 177.625 175.800 0.030 0.000 1.106 126 F CA -0.465 57.548 58.000 0.023 0.000 1.196 126 F CB 1.610 40.652 39.000 0.069 0.000 1.163 126 F HN 0.330 nan 8.300 nan 0.000 0.547 127 K N 1.220 121.766 120.400 0.242 0.000 2.034 127 K HA -0.257 4.072 4.320 0.014 0.000 0.214 127 K C 1.704 178.345 176.600 0.069 0.000 1.051 127 K CA 2.261 58.620 56.287 0.121 0.000 0.931 127 K CB -0.110 32.454 32.500 0.107 0.000 0.715 127 K HN 0.622 nan 8.250 nan 0.000 0.446 128 E N -0.257 119.967 120.200 0.040 0.000 2.118 128 E HA -0.136 4.222 4.350 0.014 0.000 0.195 128 E C 1.935 178.492 176.600 -0.073 0.000 0.992 128 E CA 1.612 57.917 56.400 -0.158 0.000 0.804 128 E CB -0.296 29.112 29.700 -0.487 0.000 0.741 128 E HN 0.272 nan 8.360 nan 0.000 0.458 129 T N 0.313 114.917 114.554 0.084 0.000 2.821 129 T HA -0.123 4.236 4.350 0.014 0.000 0.267 129 T C 1.793 176.558 174.700 0.109 0.000 1.046 129 T CA 1.441 63.619 62.100 0.130 0.000 1.139 129 T CB -0.108 68.884 68.868 0.207 0.000 0.871 129 T HN -0.023 nan 8.240 nan 0.000 0.454 130 K N 1.464 121.914 120.400 0.084 0.000 2.062 130 K HA 0.009 4.337 4.320 0.014 0.000 0.205 130 K C 2.152 178.778 176.600 0.042 0.000 1.051 130 K CA 1.239 57.565 56.287 0.065 0.000 0.941 130 K CB -0.135 32.393 32.500 0.046 0.000 0.719 130 K HN 0.361 nan 8.250 nan 0.000 0.440 131 E N -0.306 119.899 120.200 0.008 0.000 2.110 131 E HA -0.154 4.204 4.350 0.014 0.000 0.193 131 E C 1.891 178.470 176.600 -0.034 0.000 0.988 131 E CA 0.975 57.359 56.400 -0.028 0.000 0.804 131 E CB -0.146 29.515 29.700 -0.065 0.000 0.745 131 E HN 0.416 nan 8.360 nan 0.000 0.458 132 A N 1.681 124.500 122.820 -0.001 0.000 1.845 132 A HA -0.227 4.101 4.320 0.014 0.000 0.215 132 A C 2.084 179.772 177.584 0.173 0.000 1.195 132 A CA 1.237 53.307 52.037 0.054 0.000 0.616 132 A CB -0.389 18.704 19.000 0.155 0.000 0.832 132 A HN 0.067 nan 8.150 nan 0.000 0.443 133 E N 0.351 120.688 120.200 0.227 0.000 2.048 133 E HA -0.229 4.129 4.350 0.014 0.000 0.202 133 E C 1.704 178.389 176.600 0.142 0.000 1.021 133 E CA 1.739 58.305 56.400 0.276 0.000 0.825 133 E CB -0.486 29.346 29.700 0.220 0.000 0.756 133 E HN 0.562 nan 8.360 nan 0.000 0.454 134 D N -0.503 119.939 120.400 0.071 0.000 2.144 134 D HA -0.116 4.532 4.640 0.014 0.000 0.199 134 D C 1.889 178.175 176.300 -0.024 0.000 0.984 134 D CA 1.320 55.335 54.000 0.025 0.000 0.834 134 D CB -0.637 40.170 40.800 0.012 0.000 0.955 134 D HN 0.307 nan 8.370 nan 0.000 0.465 135 G N 0.028 108.782 108.800 -0.077 0.000 2.433 135 G HA2 -0.253 3.715 3.960 0.014 0.000 0.216 135 G HA3 -0.253 3.715 3.960 0.014 0.000 0.216 135 G C 1.597 176.373 174.900 -0.206 0.000 1.186 135 G CA 0.290 45.286 45.100 -0.172 0.000 0.779 135 G HN 0.234 nan 8.290 nan 0.000 0.543 136 F N 0.477 120.312 119.950 -0.192 0.000 2.102 136 F HA 0.013 4.548 4.527 0.014 0.000 0.298 136 F C 2.898 178.439 175.800 -0.432 0.000 1.105 136 F CA 1.453 59.199 58.000 -0.423 0.000 1.239 136 F CB -0.122 38.303 39.000 -0.958 0.000 0.991 136 F HN -0.019 nan 8.300 nan 0.000 0.474 137 R N 0.911 121.312 120.500 -0.165 0.000 2.083 137 R HA -0.230 4.118 4.340 0.014 0.000 0.237 137 R C 2.347 178.657 176.300 0.018 0.000 1.137 137 R CA 1.951 58.023 56.100 -0.047 0.000 0.951 137 R CB -0.324 30.002 30.300 0.044 0.000 0.851 137 R HN 0.197 nan 8.270 nan 0.000 0.434 138 K N -0.303 120.103 120.400 0.010 0.000 2.026 138 K HA -0.097 4.231 4.320 0.014 0.000 0.208 138 K C 1.771 178.406 176.600 0.059 0.000 1.048 138 K CA 1.453 57.757 56.287 0.029 0.000 0.929 138 K CB -0.130 32.375 32.500 0.008 0.000 0.713 138 K HN 0.247 nan 8.250 nan 0.000 0.439 139 A N 0.575 123.429 122.820 0.056 0.000 2.168 139 A HA -0.140 4.189 4.320 0.014 0.000 0.215 139 A C 1.796 179.533 177.584 0.256 0.000 1.152 139 A CA 1.196 53.306 52.037 0.121 0.000 0.716 139 A CB -0.218 18.827 19.000 0.075 0.000 0.794 139 A HN 0.544 nan 8.150 nan 0.000 0.465 140 Q N -0.939 118.995 119.800 0.224 0.000 2.317 140 Q HA 0.136 4.484 4.340 0.014 0.000 0.220 140 Q C 1.800 177.918 176.000 0.195 0.000 0.873 140 Q CA 0.489 56.471 55.803 0.299 0.000 0.936 140 Q CB 0.048 28.954 28.738 0.279 0.000 1.105 140 Q HN 0.602 nan 8.270 nan 0.000 0.520 141 K N 0.724 121.205 120.400 0.137 0.000 2.026 141 K HA -0.094 4.234 4.320 0.014 0.000 0.208 141 K C -1.003 175.644 176.600 0.077 0.000 1.048 141 K CA 1.538 57.881 56.287 0.094 0.000 0.929 141 K CB -0.382 32.160 32.500 0.069 0.000 0.713 141 K HN 0.186 nan 8.250 nan 0.000 0.439 142 P HA -0.196 nan 4.420 nan 0.000 0.217 142 P C 0.868 178.203 177.300 0.059 0.000 1.150 142 P CA 0.944 64.087 63.100 0.072 0.000 0.832 142 P CB -0.263 31.495 31.700 0.097 0.000 0.787 143 W N 1.039 122.253 121.300 -0.143 0.000 2.358 143 W HA -0.158 4.510 4.660 0.014 0.000 0.303 143 W C 1.937 178.325 176.519 -0.219 0.000 1.208 143 W CA 1.671 58.836 57.345 -0.301 0.000 1.274 143 W CB -0.605 28.361 29.460 -0.824 0.000 1.138 143 W HN -0.084 nan 8.180 nan 0.000 0.515 144 A N 1.204 123.985 122.820 -0.065 0.000 1.858 144 A HA -0.248 4.081 4.320 0.014 0.000 0.216 144 A C 2.040 179.538 177.584 -0.143 0.000 1.190 144 A CA 2.158 54.139 52.037 -0.094 0.000 0.617 144 A CB -1.008 18.012 19.000 0.033 0.000 0.827 144 A HN 0.296 nan 8.150 nan 0.000 0.443 145 K N -0.625 119.722 120.400 -0.088 0.000 2.034 145 K HA -0.254 4.074 4.320 0.014 0.000 0.214 145 K C 2.171 178.687 176.600 -0.140 0.000 1.051 145 K CA 2.035 58.272 56.287 -0.084 0.000 0.931 145 K CB -0.214 32.258 32.500 -0.047 0.000 0.715 145 K HN 0.256 nan 8.250 nan 0.000 0.446 146 K N 0.309 120.585 120.400 -0.206 0.000 2.097 146 K HA -0.028 4.300 4.320 0.014 0.000 0.206 146 K C 1.966 178.367 176.600 -0.331 0.000 1.049 146 K CA 1.217 57.345 56.287 -0.264 0.000 0.933 146 K CB 0.057 32.358 32.500 -0.333 0.000 0.717 146 K HN 0.065 nan 8.250 nan 0.000 0.442 147 M N 0.202 119.542 119.600 -0.434 0.000 2.349 147 M HA -0.056 4.432 4.480 0.014 0.000 0.266 147 M C 1.559 177.744 176.300 -0.191 0.000 1.076 147 M CA 1.339 56.410 55.300 -0.382 0.000 1.126 147 M CB -0.349 31.978 32.600 -0.455 0.000 1.392 147 M HN 0.066 nan 8.290 nan 0.000 0.440 148 K N 0.313 120.625 120.400 -0.146 0.000 2.062 148 K HA -0.121 4.207 4.320 0.014 0.000 0.205 148 K C 1.843 178.399 176.600 -0.073 0.000 1.051 148 K CA 1.082 57.318 56.287 -0.085 0.000 0.941 148 K CB -0.018 32.444 32.500 -0.063 0.000 0.719 148 K HN 0.419 nan 8.250 nan 0.000 0.440 149 E N 1.167 121.317 120.200 -0.084 0.000 2.077 149 E HA -0.179 4.179 4.350 0.014 0.000 0.193 149 E C 2.002 178.577 176.600 -0.042 0.000 0.989 149 E CA 0.696 57.060 56.400 -0.061 0.000 0.800 149 E CB -0.058 29.602 29.700 -0.068 0.000 0.746 149 E HN 0.170 nan 8.360 nan 0.000 0.452 150 L N 1.291 122.476 121.223 -0.064 0.000 2.046 150 L HA -0.216 4.132 4.340 0.014 0.000 0.208 150 L C 2.264 179.148 176.870 0.023 0.000 1.077 150 L CA 1.898 56.736 54.840 -0.003 0.000 0.747 150 L CB -0.307 41.711 42.059 -0.068 0.000 0.896 150 L HN 0.100 nan 8.230 nan 0.000 0.432 151 E N 0.141 120.326 120.200 -0.024 0.000 2.046 151 E HA -0.113 4.245 4.350 0.014 0.000 0.190 151 E C 2.131 178.703 176.600 -0.046 0.000 0.982 151 E CA 1.562 57.945 56.400 -0.028 0.000 0.800 151 E CB -0.188 29.496 29.700 -0.026 0.000 0.756 151 E HN 0.481 nan 8.360 nan 0.000 0.449 152 A N 0.935 123.731 122.820 -0.040 0.000 1.917 152 A HA -0.188 4.140 4.320 0.014 0.000 0.219 152 A C 2.442 179.994 177.584 -0.054 0.000 1.182 152 A CA 2.475 54.489 52.037 -0.039 0.000 0.633 152 A CB -1.141 17.841 19.000 -0.030 0.000 0.819 152 A HN 0.387 nan 8.150 nan 0.000 0.448 153 A N -0.616 122.175 122.820 -0.048 0.000 1.930 153 A HA -0.124 4.205 4.320 0.014 0.000 0.217 153 A C 2.120 179.535 177.584 -0.281 0.000 1.175 153 A CA 1.968 53.970 52.037 -0.057 0.000 0.627 153 A CB -0.405 18.646 19.000 0.086 0.000 0.815 153 A HN 0.581 nan 8.150 nan 0.000 0.443 154 K N 0.021 120.161 120.400 -0.434 0.000 2.057 154 K HA -0.129 4.200 4.320 0.014 0.000 0.206 154 K C 1.959 178.344 176.600 -0.357 0.000 1.050 154 K CA 1.630 57.465 56.287 -0.753 0.000 0.935 154 K CB -0.151 32.087 32.500 -0.438 0.000 0.715 154 K HN 0.424 nan 8.250 nan 0.000 0.439 155 K N -0.081 120.238 120.400 -0.134 0.000 2.097 155 K HA -0.070 4.258 4.320 0.014 0.000 0.205 155 K C 2.109 178.677 176.600 -0.053 0.000 1.050 155 K CA 1.094 57.363 56.287 -0.029 0.000 0.938 155 K CB -0.079 32.412 32.500 -0.015 0.000 0.718 155 K HN 0.188 nan 8.250 nan 0.000 0.442 156 A N 0.710 123.486 122.820 -0.074 0.000 1.969 156 A HA -0.186 4.143 4.320 0.014 0.000 0.218 156 A C 2.000 179.558 177.584 -0.042 0.000 1.169 156 A CA 1.044 53.054 52.037 -0.046 0.000 0.635 156 A CB -0.615 18.368 19.000 -0.028 0.000 0.810 156 A HN 0.466 nan 8.150 nan 0.000 0.445 157 Y N -0.234 119.911 120.300 -0.258 0.000 2.184 157 Y HA -0.236 4.322 4.550 0.014 0.000 0.290 157 Y C 2.361 178.126 175.900 -0.225 0.000 1.129 157 Y CA 2.236 60.164 58.100 -0.287 0.000 1.144 157 Y CB -0.302 37.864 38.460 -0.489 0.000 0.995 157 Y HN 0.508 nan 8.280 nan 0.000 0.513 158 H N -0.251 118.642 119.070 -0.295 0.000 2.462 158 H HA -0.092 4.473 4.556 0.014 0.000 0.292 158 H C 1.946 177.139 175.328 -0.225 0.000 1.049 158 H CA 1.269 57.114 56.048 -0.338 0.000 1.334 158 H CB -0.033 29.619 29.762 -0.184 0.000 1.404 158 H HN 0.463 nan 8.280 nan 0.000 0.544 159 L N -0.560 120.634 121.223 -0.048 0.000 2.056 159 L HA 0.070 4.418 4.340 0.014 0.000 0.207 159 L C 2.422 179.252 176.870 -0.067 0.000 1.078 159 L CA 1.861 56.674 54.840 -0.045 0.000 0.749 159 L CB -0.908 41.132 42.059 -0.031 0.000 0.901 159 L HN 0.084 nan 8.230 nan 0.000 0.433 160 A N -1.223 121.544 122.820 -0.088 0.000 2.014 160 A HA -0.124 4.205 4.320 0.014 0.000 0.218 160 A C 2.398 179.913 177.584 -0.114 0.000 1.163 160 A CA 1.356 53.347 52.037 -0.078 0.000 0.652 160 A CB -1.354 17.617 19.000 -0.049 0.000 0.808 160 A HN 0.670 nan 8.150 nan 0.000 0.449 161 C N -0.715 118.459 119.300 -0.209 0.000 2.476 161 C HA 0.001 4.469 4.460 0.014 0.000 0.278 161 C C 2.685 177.603 174.990 -0.120 0.000 1.274 161 C CA 1.437 60.318 59.018 -0.229 0.000 1.713 161 C CB -0.835 26.648 27.740 -0.428 0.000 2.039 161 C HN 0.709 nan 8.230 nan 0.000 0.484 162 K N 0.520 120.862 120.400 -0.096 0.000 2.097 162 K HA -0.164 4.164 4.320 0.014 0.000 0.206 162 K C 2.058 178.629 176.600 -0.048 0.000 1.049 162 K CA 1.483 57.733 56.287 -0.062 0.000 0.933 162 K CB -0.295 32.174 32.500 -0.053 0.000 0.717 162 K HN 0.521 nan 8.250 nan 0.000 0.442 163 E N 0.534 120.704 120.200 -0.049 0.000 2.097 163 E HA -0.263 4.095 4.350 0.014 0.000 0.196 163 E C 1.935 178.516 176.600 -0.030 0.000 1.000 163 E CA 1.469 57.848 56.400 -0.036 0.000 0.804 163 E CB 0.028 29.708 29.700 -0.034 0.000 0.740 163 E HN 0.425 nan 8.360 nan 0.000 0.454 164 E N 0.197 120.376 120.200 -0.036 0.000 2.077 164 E HA -0.202 4.156 4.350 0.014 0.000 0.193 164 E C 2.128 178.716 176.600 -0.020 0.000 0.989 164 E CA 0.713 57.098 56.400 -0.025 0.000 0.800 164 E CB 0.193 29.878 29.700 -0.025 0.000 0.746 164 E HN 0.029 nan 8.360 nan 0.000 0.452 165 R N 0.574 121.059 120.500 -0.025 0.000 2.081 165 R HA -0.149 4.199 4.340 0.014 0.000 0.235 165 R C 2.646 178.936 176.300 -0.016 0.000 1.131 165 R CA 1.040 57.128 56.100 -0.019 0.000 0.960 165 R CB -1.091 29.195 30.300 -0.023 0.000 0.856 165 R HN 0.377 nan 8.270 nan 0.000 0.436 166 L N 0.126 121.338 121.223 -0.019 0.000 2.131 166 L HA -0.033 4.316 4.340 0.014 0.000 0.210 166 L C 2.138 179.000 176.870 -0.013 0.000 1.092 166 L CA 1.795 56.626 54.840 -0.016 0.000 0.759 166 L CB -0.277 41.771 42.059 -0.018 0.000 0.903 166 L HN 0.085 nan 8.230 nan 0.000 0.435 167 A N -0.170 122.642 122.820 -0.012 0.000 1.975 167 A HA -0.024 4.305 4.320 0.014 0.000 0.215 167 A C 2.186 179.766 177.584 -0.007 0.000 1.170 167 A CA 1.329 53.360 52.037 -0.009 0.000 0.656 167 A CB -0.372 18.623 19.000 -0.009 0.000 0.821 167 A HN 0.535 nan 8.150 nan 0.000 0.449 168 M N -0.950 118.645 119.600 -0.007 0.000 2.236 168 M HA -0.069 4.419 4.480 0.014 0.000 0.266 168 M C 2.056 178.353 176.300 -0.005 0.000 1.070 168 M CA 1.573 56.870 55.300 -0.005 0.000 1.137 168 M CB -0.353 32.244 32.600 -0.004 0.000 1.378 168 M HN 0.361 nan 8.290 nan 0.000 0.426 169 T N 0.780 115.331 114.554 -0.006 0.000 2.821 169 T HA -0.117 4.242 4.350 0.014 0.000 0.267 169 T C 1.677 176.373 174.700 -0.005 0.000 1.046 169 T CA 1.405 63.502 62.100 -0.006 0.000 1.139 169 T CB -0.298 68.566 68.868 -0.007 0.000 0.871 169 T HN 0.487 nan 8.240 nan 0.000 0.454 170 R N 1.303 121.800 120.500 -0.006 0.000 2.148 170 R HA 0.110 4.459 4.340 0.014 0.000 0.223 170 R C 2.219 178.517 176.300 -0.004 0.000 1.088 170 R CA 1.097 57.194 56.100 -0.005 0.000 0.985 170 R CB -0.237 30.059 30.300 -0.006 0.000 0.880 170 R HN 0.260 nan 8.270 nan 0.000 0.451 171 E N 0.884 121.081 120.200 -0.004 0.000 2.051 171 E HA -0.076 4.282 4.350 0.014 0.000 0.189 171 E C 1.940 178.538 176.600 -0.002 0.000 0.979 171 E CA 1.030 57.428 56.400 -0.003 0.000 0.803 171 E CB 0.114 29.813 29.700 -0.002 0.000 0.761 171 E HN 0.329 nan 8.360 nan 0.000 0.451 172 M N 1.038 120.637 119.600 -0.002 0.000 2.132 172 M HA -0.109 4.379 4.480 0.014 0.000 0.263 172 M C 1.622 177.921 176.300 -0.002 0.000 1.065 172 M CA 1.045 56.344 55.300 -0.002 0.000 1.122 172 M CB -1.105 31.494 32.600 -0.002 0.000 1.365 172 M HN 0.023 nan 8.290 nan 0.000 0.411 173 N N -0.208 118.490 118.700 -0.002 0.000 2.494 173 N HA -0.056 4.692 4.740 0.014 0.000 0.182 173 N C 1.712 177.221 175.510 -0.002 0.000 1.076 173 N CA 0.725 53.773 53.050 -0.002 0.000 0.908 173 N CB -0.170 38.315 38.487 -0.003 0.000 0.967 173 N HN 0.257 nan 8.380 nan 0.000 0.449 174 S N 0.081 115.779 115.700 -0.002 0.000 2.503 174 S HA 0.078 4.557 4.470 0.014 0.000 0.217 174 S C 1.713 176.312 174.600 -0.002 0.000 0.999 174 S CA 0.209 58.408 58.200 -0.002 0.000 0.914 174 S CB 0.311 63.510 63.200 -0.002 0.000 0.782 174 S HN 0.208 nan 8.310 nan 0.000 0.520 175 K N 1.183 121.582 120.400 -0.001 0.000 1.973 175 K HA -0.075 4.254 4.320 0.014 0.000 0.212 175 K C 0.490 177.090 176.600 -0.001 0.000 1.047 175 K CA 1.766 58.052 56.287 -0.001 0.000 0.937 175 K CB -0.562 31.938 32.500 -0.001 0.000 0.721 175 K HN 0.459 nan 8.250 nan 0.000 0.440 176 T N 0.581 115.135 114.554 -0.001 0.000 3.455 176 T HA 0.220 4.578 4.350 0.014 0.000 0.286 176 T C -0.438 174.261 174.700 -0.001 0.000 1.157 176 T CA -0.586 61.514 62.100 -0.001 0.000 1.090 176 T CB 0.491 69.358 68.868 -0.001 0.000 1.112 176 T HN 0.195 nan 8.240 nan 0.000 0.779 177 E N 1.168 121.368 120.200 -0.001 0.000 2.367 177 E HA 0.385 4.744 4.350 0.014 0.000 0.273 177 E C 0.699 177.298 176.600 -0.001 0.000 0.903 177 E CA -0.801 55.598 56.400 -0.001 0.000 0.764 177 E CB 1.924 31.623 29.700 -0.001 0.000 1.252 177 E HN 0.184 nan 8.360 nan 0.000 0.446 178 Q N 1.190 120.990 119.800 -0.001 0.000 1.917 178 Q HA 0.136 4.484 4.340 0.014 0.000 0.205 178 Q C -0.290 175.710 176.000 -0.001 0.000 0.988 178 Q CA 1.737 57.539 55.803 -0.001 0.000 0.851 178 Q CB -0.048 28.689 28.738 -0.001 0.000 0.916 178 Q HN 0.407 nan 8.270 nan 0.000 0.424 179 S N -0.420 115.279 115.700 -0.001 0.000 2.530 179 S HA 0.596 5.074 4.470 0.014 0.000 0.322 179 S C -1.489 173.111 174.600 -0.001 0.000 1.085 179 S CA -0.759 57.441 58.200 -0.001 0.000 1.096 179 S CB 1.812 65.012 63.200 -0.001 0.000 0.988 179 S HN 0.135 nan 8.310 nan 0.000 0.466 180 V N 3.989 123.903 119.914 -0.001 0.000 2.419 180 V HA 0.337 4.465 4.120 0.014 0.000 0.287 180 V C 0.571 176.664 176.094 -0.001 0.000 1.017 180 V CA -0.883 61.416 62.300 -0.001 0.000 0.844 180 V CB 1.463 33.286 31.823 -0.001 0.000 1.011 180 V HN 0.991 nan 8.190 nan 0.000 0.429 181 T N 3.432 117.986 114.554 -0.001 0.000 2.802 181 T HA 0.189 4.548 4.350 0.014 0.000 0.305 181 T C -1.520 173.180 174.700 -0.001 0.000 1.053 181 T CA -1.017 61.082 62.100 -0.001 0.000 1.058 181 T CB 0.662 69.529 68.868 -0.001 0.000 0.988 181 T HN 0.382 nan 8.240 nan 0.000 0.539 182 P HA -0.177 nan 4.420 nan 0.000 0.216 182 P C 1.574 178.873 177.300 -0.001 0.000 1.153 182 P CA 1.600 64.700 63.100 -0.001 0.000 0.858 182 P CB -0.082 31.618 31.700 -0.001 0.000 0.789 183 E N -0.675 119.524 120.200 -0.001 0.000 2.274 183 E HA -0.183 4.175 4.350 0.014 0.000 0.194 183 E C 1.880 178.479 176.600 -0.001 0.000 0.996 183 E CA 0.653 57.053 56.400 -0.001 0.000 0.840 183 E CB -0.671 29.028 29.700 -0.001 0.000 0.772 183 E HN 0.228 nan 8.360 nan 0.000 0.491 184 Q N 0.634 120.433 119.800 -0.001 0.000 2.016 184 Q HA -0.161 4.187 4.340 0.014 0.000 0.200 184 Q C 2.047 178.046 176.000 -0.002 0.000 0.978 184 Q CA 1.655 57.457 55.803 -0.002 0.000 0.833 184 Q CB -0.142 28.595 28.738 -0.002 0.000 0.895 184 Q HN 0.288 nan 8.270 nan 0.000 0.427 185 Q N 0.591 120.390 119.800 -0.001 0.000 2.378 185 Q HA -0.079 4.269 4.340 0.014 0.000 0.205 185 Q C 1.609 177.609 176.000 -0.001 0.000 0.954 185 Q CA 0.948 56.751 55.803 -0.001 0.000 0.901 185 Q CB 0.145 28.883 28.738 -0.001 0.000 0.981 185 Q HN 0.018 nan 8.270 nan 0.000 0.483 186 K N 0.307 120.707 120.400 -0.001 0.000 2.001 186 K HA -0.120 4.208 4.320 0.014 0.000 0.208 186 K C 1.751 178.351 176.600 -0.001 0.000 1.048 186 K CA 1.547 57.834 56.287 -0.001 0.000 0.932 186 K CB -0.161 32.338 32.500 -0.001 0.000 0.715 186 K HN -0.027 nan 8.250 nan 0.000 0.437 187 K N 0.355 120.754 120.400 -0.001 0.000 2.148 187 K HA 0.048 4.376 4.320 0.014 0.000 0.204 187 K C 1.926 178.525 176.600 -0.002 0.000 1.050 187 K CA 1.164 57.450 56.287 -0.002 0.000 0.942 187 K CB -0.287 32.212 32.500 -0.002 0.000 0.724 187 K HN 0.209 nan 8.250 nan 0.000 0.446 188 L N -0.635 120.587 121.223 -0.002 0.000 1.994 188 L HA -0.168 4.181 4.340 0.014 0.000 0.208 188 L C 2.287 179.156 176.870 -0.002 0.000 1.071 188 L CA 1.289 56.128 54.840 -0.002 0.000 0.745 188 L CB -0.607 41.450 42.059 -0.002 0.000 0.892 188 L HN 0.058 nan 8.230 nan 0.000 0.431 189 V N -0.356 119.557 119.914 -0.001 0.000 2.548 189 V HA -0.238 3.890 4.120 0.014 0.000 0.249 189 V C 1.882 177.976 176.094 -0.000 0.000 1.055 189 V CA 1.889 64.189 62.300 -0.001 0.000 1.065 189 V CB -0.233 31.590 31.823 0.000 0.000 0.681 189 V HN 0.428 nan 8.190 nan 0.000 0.462 190 D N 0.014 120.414 120.400 -0.001 0.000 2.144 190 D HA -0.167 4.481 4.640 0.014 0.000 0.199 190 D C 2.104 178.403 176.300 -0.001 0.000 0.984 190 D CA 1.291 55.291 54.000 -0.001 0.000 0.834 190 D CB -0.188 40.611 40.800 -0.001 0.000 0.955 190 D HN 0.348 nan 8.370 nan 0.000 0.465 191 K N 0.818 121.217 120.400 -0.002 0.000 2.057 191 K HA -0.094 4.235 4.320 0.014 0.000 0.206 191 K C 1.939 178.537 176.600 -0.003 0.000 1.050 191 K CA 1.089 57.374 56.287 -0.003 0.000 0.935 191 K CB -0.463 32.034 32.500 -0.004 0.000 0.715 191 K HN 0.173 nan 8.250 nan 0.000 0.439 192 V N -1.176 118.737 119.914 -0.002 0.000 2.626 192 V HA -0.124 4.004 4.120 0.014 0.000 0.252 192 V C 1.157 177.252 176.094 0.001 0.000 1.067 192 V CA 2.011 64.310 62.300 -0.002 0.000 1.081 192 V CB -0.559 31.263 31.823 -0.001 0.000 0.686 192 V HN 0.111 nan 8.190 nan 0.000 0.468 193 D N 0.223 120.624 120.400 0.001 0.000 2.183 193 D HA -0.042 4.606 4.640 0.014 0.000 0.203 193 D C 2.174 178.476 176.300 0.003 0.000 0.969 193 D CA 0.973 54.975 54.000 0.003 0.000 0.842 193 D CB -0.207 40.595 40.800 0.003 0.000 0.957 193 D HN 0.393 nan 8.370 nan 0.000 0.484 194 K N 0.328 120.728 120.400 0.001 0.000 2.025 194 K HA -0.040 4.289 4.320 0.014 0.000 0.207 194 K C 2.195 178.796 176.600 0.001 0.000 1.049 194 K CA 0.535 56.822 56.287 0.001 0.000 0.933 194 K CB -0.458 32.042 32.500 -0.001 0.000 0.714 194 K HN 0.199 nan 8.250 nan 0.000 0.438 195 C N 0.795 120.094 119.300 -0.001 0.000 2.435 195 C HA 0.006 4.474 4.460 0.014 0.000 0.279 195 C C 2.626 177.617 174.990 0.002 0.000 1.321 195 C CA 0.216 59.232 59.018 -0.004 0.000 1.752 195 C CB -0.672 27.062 27.740 -0.010 0.000 1.959 195 C HN 0.382 nan 8.230 nan 0.000 0.500 196 R N 0.830 121.334 120.500 0.007 0.000 2.075 196 R HA -0.109 4.239 4.340 0.014 0.000 0.232 196 R C 2.138 178.451 176.300 0.021 0.000 1.126 196 R CA 1.315 57.425 56.100 0.015 0.000 0.963 196 R CB -0.688 29.620 30.300 0.014 0.000 0.858 196 R HN 0.677 nan 8.270 nan 0.000 0.435 197 Q N 0.371 120.180 119.800 0.016 0.000 2.124 197 Q HA -0.148 4.201 4.340 0.014 0.000 0.202 197 Q C 1.458 177.471 176.000 0.022 0.000 0.977 197 Q CA 1.548 57.362 55.803 0.017 0.000 0.850 197 Q CB -0.011 28.733 28.738 0.011 0.000 0.901 197 Q HN 0.290 nan 8.270 nan 0.000 0.429 198 D N -0.206 120.205 120.400 0.018 0.000 2.097 198 D HA -0.114 4.535 4.640 0.014 0.000 0.197 198 D C 1.970 178.294 176.300 0.041 0.000 0.984 198 D CA 0.801 54.813 54.000 0.020 0.000 0.826 198 D CB -0.317 40.486 40.800 0.006 0.000 0.973 198 D HN 0.013 nan 8.370 nan 0.000 0.460 199 V N 1.365 121.304 119.914 0.042 0.000 2.233 199 V HA -0.303 3.825 4.120 0.014 0.000 0.247 199 V C 2.511 178.691 176.094 0.143 0.000 1.050 199 V CA 2.443 64.793 62.300 0.084 0.000 1.010 199 V CB -0.811 31.045 31.823 0.055 0.000 0.637 199 V HN 0.309 nan 8.190 nan 0.000 0.444 200 Q N 0.353 120.209 119.800 0.093 0.000 2.369 200 Q HA -0.175 4.173 4.340 0.014 0.000 0.206 200 Q C 1.937 177.972 176.000 0.058 0.000 0.963 200 Q CA 1.935 57.785 55.803 0.079 0.000 0.894 200 Q CB -0.321 28.448 28.738 0.051 0.000 0.965 200 Q HN 0.602 nan 8.270 nan 0.000 0.475 201 K N -0.212 120.221 120.400 0.055 0.000 2.166 201 K HA -0.001 4.327 4.320 0.014 0.000 0.201 201 K C 2.063 178.694 176.600 0.051 0.000 1.052 201 K CA 1.271 57.582 56.287 0.040 0.000 0.969 201 K CB -0.085 32.432 32.500 0.029 0.000 0.761 201 K HN 0.223 nan 8.250 nan 0.000 0.459 202 T N 0.189 114.792 114.554 0.082 0.000 2.951 202 T HA -0.116 4.243 4.350 0.014 0.000 0.268 202 T C 1.744 176.523 174.700 0.132 0.000 1.073 202 T CA 1.157 63.320 62.100 0.104 0.000 1.134 202 T CB -0.009 68.929 68.868 0.117 0.000 0.884 202 T HN 0.326 nan 8.240 nan 0.000 0.479 203 Q N 0.138 120.022 119.800 0.139 0.000 2.079 203 Q HA -0.113 4.235 4.340 0.014 0.000 0.200 203 Q C 2.189 178.160 176.000 -0.049 0.000 0.974 203 Q CA 1.701 57.476 55.803 -0.047 0.000 0.840 203 Q CB -0.112 28.618 28.738 -0.014 0.000 0.898 203 Q HN 0.693 nan 8.270 nan 0.000 0.430 204 E N 0.271 120.466 120.200 -0.008 0.000 2.038 204 E HA -0.271 4.088 4.350 0.014 0.000 0.195 204 E C 1.896 178.483 176.600 -0.021 0.000 1.000 204 E CA 1.536 57.922 56.400 -0.023 0.000 0.803 204 E CB -0.016 29.680 29.700 -0.006 0.000 0.750 204 E HN 0.024 nan 8.360 nan 0.000 0.448 205 K N -0.047 120.359 120.400 0.010 0.000 2.147 205 K HA -0.193 4.135 4.320 0.014 0.000 0.205 205 K C 1.885 178.510 176.600 0.042 0.000 1.049 205 K CA 1.570 57.867 56.287 0.017 0.000 0.936 205 K CB -0.644 31.871 32.500 0.025 0.000 0.722 205 K HN 0.434 nan 8.250 nan 0.000 0.446 206 Y N 0.516 120.749 120.300 -0.112 0.000 2.263 206 Y HA -0.078 4.480 4.550 0.014 0.000 0.292 206 Y C 1.589 177.399 175.900 -0.151 0.000 1.130 206 Y CA 1.411 59.423 58.100 -0.147 0.000 1.179 206 Y CB 0.247 38.569 38.460 -0.229 0.000 0.998 206 Y HN 0.169 nan 8.280 nan 0.000 0.532 207 E N 0.332 120.362 120.200 -0.283 0.000 2.150 207 E HA -0.195 4.163 4.350 0.014 0.000 0.193 207 E C 1.986 178.465 176.600 -0.201 0.000 0.985 207 E CA 0.971 57.175 56.400 -0.326 0.000 0.814 207 E CB 0.014 29.578 29.700 -0.227 0.000 0.752 207 E HN 0.370 nan 8.360 nan 0.000 0.466 208 K N 0.459 120.785 120.400 -0.123 0.000 2.062 208 K HA -0.083 4.245 4.320 0.014 0.000 0.205 208 K C 1.988 178.540 176.600 -0.081 0.000 1.051 208 K CA 0.712 56.950 56.287 -0.082 0.000 0.941 208 K CB 0.198 32.668 32.500 -0.049 0.000 0.719 208 K HN -0.055 nan 8.250 nan 0.000 0.440 209 V N 1.373 121.241 119.914 -0.077 0.000 2.427 209 V HA -0.218 3.911 4.120 0.014 0.000 0.248 209 V C 2.139 178.167 176.094 -0.109 0.000 1.051 209 V CA 1.126 63.383 62.300 -0.072 0.000 1.048 209 V CB -0.335 31.469 31.823 -0.032 0.000 0.666 209 V HN 0.290 nan 8.190 nan 0.000 0.456 210 L N 0.152 121.270 121.223 -0.174 0.000 2.131 210 L HA -0.139 4.209 4.340 0.014 0.000 0.210 210 L C 2.426 179.221 176.870 -0.125 0.000 1.092 210 L CA 1.972 56.694 54.840 -0.198 0.000 0.759 210 L CB -0.779 41.063 42.059 -0.361 0.000 0.903 210 L HN 0.466 nan 8.230 nan 0.000 0.435 211 E N -0.979 119.154 120.200 -0.112 0.000 2.072 211 E HA -0.265 4.093 4.350 0.014 0.000 0.191 211 E C 1.643 178.220 176.600 -0.038 0.000 0.985 211 E CA 1.356 57.714 56.400 -0.069 0.000 0.801 211 E CB 0.029 29.689 29.700 -0.066 0.000 0.750 211 E HN 0.476 nan 8.360 nan 0.000 0.452 212 D N -0.622 119.753 120.400 -0.041 0.000 2.224 212 D HA -0.096 4.552 4.640 0.014 0.000 0.205 212 D C 1.865 178.166 176.300 0.002 0.000 0.965 212 D CA 0.594 54.583 54.000 -0.018 0.000 0.852 212 D CB 0.277 41.060 40.800 -0.028 0.000 0.947 212 D HN 0.067 nan 8.370 nan 0.000 0.494 213 V N 0.030 119.927 119.914 -0.029 0.000 2.307 213 V HA -0.085 4.043 4.120 0.014 0.000 0.245 213 V C 2.525 178.709 176.094 0.149 0.000 1.045 213 V CA 1.889 64.185 62.300 -0.006 0.000 1.024 213 V CB -0.973 30.777 31.823 -0.122 0.000 0.651 213 V HN 0.355 nan 8.190 nan 0.000 0.449 214 G N -0.413 108.433 108.800 0.077 0.000 2.418 214 G HA2 -0.240 3.728 3.960 0.014 0.000 0.217 214 G HA3 -0.240 3.728 3.960 0.014 0.000 0.217 214 G C 1.667 176.611 174.900 0.074 0.000 1.158 214 G CA 0.804 45.951 45.100 0.079 0.000 0.771 214 G HN 0.457 nan 8.290 nan 0.000 0.545 215 K N 0.078 120.510 120.400 0.053 0.000 2.097 215 K HA -0.089 4.239 4.320 0.014 0.000 0.206 215 K C 2.694 179.338 176.600 0.074 0.000 1.049 215 K CA 1.664 57.978 56.287 0.046 0.000 0.933 215 K CB -0.211 32.305 32.500 0.027 0.000 0.717 215 K HN 0.507 nan 8.250 nan 0.000 0.442 216 T N -2.448 112.179 114.554 0.122 0.000 3.107 216 T HA 0.046 4.405 4.350 0.014 0.000 0.249 216 T C 1.725 176.554 174.700 0.215 0.000 1.096 216 T CA 0.478 62.676 62.100 0.164 0.000 1.012 216 T CB 0.104 69.085 68.868 0.190 0.000 0.977 216 T HN -0.059 nan 8.240 nan 0.000 0.527 217 T N 3.233 117.908 114.554 0.200 0.000 2.652 217 T HA -0.035 4.323 4.350 0.014 0.000 0.267 217 T C -0.594 174.081 174.700 -0.041 0.000 1.039 217 T CA 1.589 63.738 62.100 0.082 0.000 1.153 217 T CB -1.255 67.641 68.868 0.047 0.000 0.863 217 T HN 0.384 nan 8.240 nan 0.000 0.428 218 P HA -0.109 nan 4.420 nan 0.000 0.216 218 P C 1.807 179.094 177.300 -0.021 0.000 1.153 218 P CA 1.116 64.184 63.100 -0.052 0.000 0.858 218 P CB -0.097 31.589 31.700 -0.022 0.000 0.789 219 Q N -1.839 117.984 119.800 0.038 0.000 2.096 219 Q HA -0.215 4.133 4.340 0.014 0.000 0.204 219 Q C 2.181 178.242 176.000 0.101 0.000 0.982 219 Q CA 1.517 57.361 55.803 0.069 0.000 0.850 219 Q CB -1.052 27.744 28.738 0.097 0.000 0.901 219 Q HN 0.372 nan 8.270 nan 0.000 0.422 220 Y N 0.684 120.957 120.300 -0.044 0.000 2.200 220 Y HA -0.130 4.428 4.550 0.014 0.000 0.290 220 Y C 2.134 178.003 175.900 -0.051 0.000 1.137 220 Y CA 1.373 59.422 58.100 -0.085 0.000 1.163 220 Y CB -0.333 37.946 38.460 -0.302 0.000 0.988 220 Y HN 0.002 nan 8.280 nan 0.000 0.518 221 M N 0.000 119.398 119.600 -0.338 0.000 2.086 221 M HA -0.221 4.267 4.480 0.014 0.000 0.261 221 M C 2.080 178.362 176.300 -0.029 0.000 1.067 221 M CA 2.125 57.234 55.300 -0.317 0.000 1.116 221 M CB -0.466 31.880 32.600 -0.424 0.000 1.348 221 M HN 0.251 nan 8.290 nan 0.000 0.407 222 E N 0.182 120.366 120.200 -0.027 0.000 2.097 222 E HA -0.175 4.183 4.350 0.014 0.000 0.196 222 E C 2.091 178.715 176.600 0.039 0.000 1.000 222 E CA 1.242 57.652 56.400 0.018 0.000 0.804 222 E CB -0.359 29.349 29.700 0.013 0.000 0.740 222 E HN 0.650 nan 8.360 nan 0.000 0.454 223 G N 0.781 109.605 108.800 0.041 0.000 2.402 223 G HA2 -0.220 3.748 3.960 0.014 0.000 0.216 223 G HA3 -0.220 3.748 3.960 0.014 0.000 0.216 223 G C 1.498 176.431 174.900 0.054 0.000 1.162 223 G CA 0.561 45.692 45.100 0.052 0.000 0.777 223 G HN 0.057 nan 8.290 nan 0.000 0.539 224 M N 0.556 120.210 119.600 0.091 0.000 2.254 224 M HA 0.083 4.572 4.480 0.014 0.000 0.265 224 M C 2.305 178.754 176.300 0.249 0.000 1.066 224 M CA 0.678 56.105 55.300 0.212 0.000 1.123 224 M CB -0.874 31.861 32.600 0.224 0.000 1.388 224 M HN 0.188 nan 8.290 nan 0.000 0.425 225 E N 0.642 120.957 120.200 0.192 0.000 2.077 225 E HA -0.191 4.167 4.350 0.014 0.000 0.193 225 E C 2.019 178.705 176.600 0.142 0.000 0.989 225 E CA 1.172 57.675 56.400 0.171 0.000 0.800 225 E CB -0.236 29.543 29.700 0.132 0.000 0.746 225 E HN 0.623 nan 8.360 nan 0.000 0.452 226 Q N 0.158 119.997 119.800 0.065 0.000 2.084 226 Q HA -0.116 4.233 4.340 0.014 0.000 0.202 226 Q C 2.362 178.334 176.000 -0.046 0.000 0.978 226 Q CA 1.327 57.137 55.803 0.012 0.000 0.844 226 Q CB 0.020 28.753 28.738 -0.009 0.000 0.898 226 Q HN 0.114 nan 8.270 nan 0.000 0.426 227 V N 0.224 120.056 119.914 -0.136 0.000 2.379 227 V HA -0.215 3.913 4.120 0.014 0.000 0.245 227 V C 1.837 177.798 176.094 -0.222 0.000 1.044 227 V CA 1.570 63.658 62.300 -0.354 0.000 1.036 227 V CB -0.558 30.731 31.823 -0.890 0.000 0.664 227 V HN 0.321 nan 8.190 nan 0.000 0.453 228 F N 1.442 121.320 119.950 -0.121 0.000 2.171 228 F HA -0.177 4.358 4.527 0.014 0.000 0.300 228 F C 2.396 178.216 175.800 0.033 0.000 1.090 228 F CA 2.056 60.119 58.000 0.104 0.000 1.293 228 F CB 0.024 39.096 39.000 0.120 0.000 1.013 228 F HN 0.167 nan 8.300 nan 0.000 0.486 229 E N 0.314 120.546 120.200 0.053 0.000 2.150 229 E HA -0.193 4.165 4.350 0.014 0.000 0.193 229 E C 2.082 178.631 176.600 -0.084 0.000 0.985 229 E CA 1.331 57.713 56.400 -0.031 0.000 0.814 229 E CB -0.325 29.405 29.700 0.050 0.000 0.752 229 E HN 0.544 nan 8.360 nan 0.000 0.466 230 Q N -0.907 118.847 119.800 -0.075 0.000 2.167 230 Q HA -0.116 4.232 4.340 0.014 0.000 0.202 230 Q C 2.269 178.235 176.000 -0.056 0.000 0.970 230 Q CA 1.383 57.148 55.803 -0.063 0.000 0.855 230 Q CB -0.125 28.562 28.738 -0.084 0.000 0.911 230 Q HN 0.407 nan 8.270 nan 0.000 0.438 231 C N 0.722 119.954 119.300 -0.114 0.000 2.435 231 C HA -0.074 4.394 4.460 0.014 0.000 0.279 231 C C 2.566 177.481 174.990 -0.126 0.000 1.321 231 C CA 0.320 59.288 59.018 -0.084 0.000 1.752 231 C CB -0.540 27.152 27.740 -0.080 0.000 1.959 231 C HN 0.495 nan 8.230 nan 0.000 0.500 232 Q N 0.600 120.226 119.800 -0.290 0.000 2.049 232 Q HA -0.160 4.188 4.340 0.014 0.000 0.198 232 Q C 2.131 178.092 176.000 -0.065 0.000 0.971 232 Q CA 1.454 57.119 55.803 -0.230 0.000 0.833 232 Q CB -0.512 28.058 28.738 -0.280 0.000 0.896 232 Q HN 0.728 nan 8.270 nan 0.000 0.434 233 Q N -0.410 119.373 119.800 -0.028 0.000 2.124 233 Q HA -0.124 4.224 4.340 0.014 0.000 0.202 233 Q C 1.831 177.870 176.000 0.065 0.000 0.977 233 Q CA 1.126 56.939 55.803 0.017 0.000 0.850 233 Q CB -0.174 28.577 28.738 0.022 0.000 0.901 233 Q HN 0.267 nan 8.270 nan 0.000 0.429 234 F N 1.348 121.266 119.950 -0.053 0.000 2.084 234 F HA -0.237 4.298 4.527 0.014 0.000 0.296 234 F C 2.332 178.141 175.800 0.015 0.000 1.111 234 F CA 1.716 59.693 58.000 -0.038 0.000 1.224 234 F CB 0.083 39.045 39.000 -0.063 0.000 0.991 234 F HN 0.004 nan 8.300 nan 0.000 0.471 235 E N 0.719 120.978 120.200 0.098 0.000 2.085 235 E HA -0.297 4.061 4.350 0.014 0.000 0.194 235 E C 2.057 178.641 176.600 -0.027 0.000 0.994 235 E CA 1.853 58.272 56.400 0.032 0.000 0.801 235 E CB -0.428 29.308 29.700 0.060 0.000 0.743 235 E HN 0.613 nan 8.360 nan 0.000 0.453 236 E N 0.163 120.349 120.200 -0.023 0.000 2.085 236 E HA -0.272 4.087 4.350 0.014 0.000 0.194 236 E C 1.983 178.567 176.600 -0.026 0.000 0.994 236 E CA 1.423 57.809 56.400 -0.023 0.000 0.801 236 E CB -0.078 29.613 29.700 -0.015 0.000 0.743 236 E HN 0.159 nan 8.360 nan 0.000 0.453 237 K N 0.319 120.698 120.400 -0.036 0.000 2.032 237 K HA -0.203 4.125 4.320 0.014 0.000 0.209 237 K C 2.399 179.020 176.600 0.035 0.000 1.048 237 K CA 1.585 57.877 56.287 0.009 0.000 0.927 237 K CB -0.104 32.381 32.500 -0.025 0.000 0.712 237 K HN 0.003 nan 8.250 nan 0.000 0.441 238 R N 0.650 121.138 120.500 -0.021 0.000 2.073 238 R HA -0.118 4.230 4.340 0.014 0.000 0.234 238 R C 2.257 178.452 176.300 -0.174 0.000 1.134 238 R CA 1.440 57.437 56.100 -0.171 0.000 0.952 238 R CB -0.307 29.974 30.300 -0.031 0.000 0.850 238 R HN 0.170 nan 8.270 nan 0.000 0.433 239 L N 0.326 121.497 121.223 -0.086 0.000 2.042 239 L HA -0.186 4.163 4.340 0.014 0.000 0.210 239 L C 2.493 179.315 176.870 -0.080 0.000 1.076 239 L CA 1.034 55.830 54.840 -0.073 0.000 0.749 239 L CB -0.380 41.653 42.059 -0.042 0.000 0.893 239 L HN 0.106 nan 8.230 nan 0.000 0.432 240 V N -0.509 119.371 119.914 -0.057 0.000 2.343 240 V HA -0.328 3.800 4.120 0.014 0.000 0.247 240 V C 2.214 178.258 176.094 -0.083 0.000 1.051 240 V CA 2.036 64.305 62.300 -0.051 0.000 1.036 240 V CB -0.572 31.244 31.823 -0.011 0.000 0.654 240 V HN 0.354 nan 8.190 nan 0.000 0.451 241 F N -0.248 119.535 119.950 -0.279 0.000 2.171 241 F HA -0.161 4.374 4.527 0.013 0.000 0.300 241 F C 2.137 177.711 175.800 -0.377 0.000 1.090 241 F CA 1.513 59.267 58.000 -0.409 0.000 1.293 241 F CB -0.095 38.387 39.000 -0.863 0.000 1.013 241 F HN 0.021 nan 8.300 nan 0.000 0.486 242 L N 0.530 121.607 121.223 -0.244 0.000 1.989 242 L HA -0.303 4.045 4.340 0.014 0.000 0.211 242 L C 2.627 179.346 176.870 -0.252 0.000 1.071 242 L CA 2.117 56.815 54.840 -0.237 0.000 0.749 242 L CB -0.596 41.375 42.059 -0.146 0.000 0.890 242 L HN 0.170 nan 8.230 nan 0.000 0.431 243 K N -0.176 120.106 120.400 -0.196 0.000 2.044 243 K HA -0.306 4.023 4.320 0.014 0.000 0.210 243 K C 2.050 178.524 176.600 -0.210 0.000 1.049 243 K CA 2.166 58.353 56.287 -0.166 0.000 0.927 243 K CB -0.198 32.228 32.500 -0.122 0.000 0.713 243 K HN 0.358 nan 8.250 nan 0.000 0.443 244 E N -0.056 119.977 120.200 -0.278 0.000 2.051 244 E HA -0.169 4.190 4.350 0.014 0.000 0.192 244 E C 1.890 178.276 176.600 -0.357 0.000 0.991 244 E CA 1.570 57.787 56.400 -0.305 0.000 0.799 244 E CB 0.126 29.616 29.700 -0.349 0.000 0.748 244 E HN 0.207 nan 8.360 nan 0.000 0.449 245 V N 1.157 120.765 119.914 -0.511 0.000 2.358 245 V HA -0.235 3.893 4.120 0.014 0.000 0.246 245 V C 2.435 178.385 176.094 -0.240 0.000 1.047 245 V CA 0.968 63.011 62.300 -0.428 0.000 1.035 245 V CB -0.433 31.069 31.823 -0.535 0.000 0.658 245 V HN 0.263 nan 8.190 nan 0.000 0.452 246 L N -0.725 120.371 121.223 -0.213 0.000 2.081 246 L HA -0.184 4.165 4.340 0.014 0.000 0.212 246 L C 2.247 179.037 176.870 -0.133 0.000 1.080 246 L CA 1.716 56.471 54.840 -0.141 0.000 0.754 246 L CB -1.075 40.909 42.059 -0.125 0.000 0.893 246 L HN 0.256 nan 8.230 nan 0.000 0.433 247 L N -0.718 120.411 121.223 -0.157 0.000 2.056 247 L HA -0.163 4.186 4.340 0.014 0.000 0.207 247 L C 2.174 178.938 176.870 -0.176 0.000 1.078 247 L CA 1.605 56.356 54.840 -0.148 0.000 0.749 247 L CB -1.008 40.964 42.059 -0.146 0.000 0.901 247 L HN 0.306 nan 8.230 nan 0.000 0.433 248 D N -0.606 119.675 120.400 -0.198 0.000 2.144 248 D HA -0.180 4.469 4.640 0.014 0.000 0.199 248 D C 2.353 178.492 176.300 -0.267 0.000 0.984 248 D CA 1.332 55.179 54.000 -0.254 0.000 0.834 248 D CB 0.105 40.806 40.800 -0.164 0.000 0.955 248 D HN 0.368 nan 8.370 nan 0.000 0.465 249 I N 0.909 121.421 120.570 -0.097 0.000 2.286 249 I HA -0.197 3.981 4.170 0.014 0.000 0.245 249 I C 2.520 178.614 176.117 -0.039 0.000 1.104 249 I CA 0.736 62.041 61.300 0.009 0.000 1.397 249 I CB -0.143 37.856 38.000 -0.002 0.000 1.072 249 I HN -0.099 nan 8.210 nan 0.000 0.417 250 K N 1.761 122.108 120.400 -0.088 0.000 2.074 250 K HA -0.204 4.125 4.320 0.014 0.000 0.209 250 K C 2.126 178.665 176.600 -0.102 0.000 1.048 250 K CA 1.702 57.938 56.287 -0.084 0.000 0.926 250 K CB -0.138 32.307 32.500 -0.092 0.000 0.713 250 K HN 0.303 nan 8.250 nan 0.000 0.444 251 R N -0.911 119.484 120.500 -0.175 0.000 2.148 251 R HA -0.059 4.289 4.340 0.014 0.000 0.223 251 R C 2.206 178.411 176.300 -0.157 0.000 1.088 251 R CA 1.145 57.129 56.100 -0.193 0.000 0.985 251 R CB -0.265 29.878 30.300 -0.262 0.000 0.880 251 R HN 0.505 nan 8.270 nan 0.000 0.451 252 H N 0.181 119.223 119.070 -0.046 0.000 2.403 252 H HA 0.035 4.599 4.556 0.014 0.000 0.298 252 H C 2.079 177.381 175.328 -0.043 0.000 1.059 252 H CA 0.796 56.821 56.048 -0.038 0.000 1.363 252 H CB 0.182 29.927 29.762 -0.029 0.000 1.410 252 H HN 0.028 nan 8.280 nan 0.000 0.528 253 L N 0.468 121.733 121.223 0.071 0.000 2.141 253 L HA -0.108 4.240 4.340 0.014 0.000 0.209 253 L C 0.921 177.770 176.870 -0.035 0.000 1.094 253 L CA 0.299 55.151 54.840 0.020 0.000 0.763 253 L CB -0.237 41.825 42.059 0.006 0.000 0.908 253 L HN 0.258 nan 8.230 nan 0.000 0.437 254 N N 0.901 119.568 118.700 -0.055 0.000 2.399 254 N HA 0.044 4.792 4.740 0.014 0.000 0.259 254 N C 0.672 176.107 175.510 -0.125 0.000 1.160 254 N CA 0.258 53.250 53.050 -0.095 0.000 0.946 254 N CB 0.954 39.390 38.487 -0.085 0.000 1.156 254 N HN 0.114 nan 8.380 nan 0.000 0.489 255 L N 2.572 123.663 121.223 -0.220 0.000 2.376 255 L HA 0.023 4.371 4.340 0.014 0.000 0.219 255 L C 1.984 178.725 176.870 -0.215 0.000 1.133 255 L CA 0.716 55.383 54.840 -0.288 0.000 0.816 255 L CB -0.155 41.544 42.059 -0.601 0.000 0.933 255 L HN 0.570 nan 8.230 nan 0.000 0.449 256 A N -0.795 121.911 122.820 -0.191 0.000 2.169 256 A HA -0.060 4.269 4.320 0.014 0.000 0.212 256 A C 2.096 179.654 177.584 -0.043 0.000 1.153 256 A CA 0.407 52.395 52.037 -0.082 0.000 0.756 256 A CB -0.144 18.808 19.000 -0.081 0.000 0.813 256 A HN 0.273 nan 8.150 nan 0.000 0.471 257 E N 0.381 120.550 120.200 -0.052 0.000 2.097 257 E HA -0.192 4.166 4.350 0.014 0.000 0.196 257 E C 0.336 176.928 176.600 -0.014 0.000 1.000 257 E CA 1.033 57.411 56.400 -0.037 0.000 0.804 257 E CB -0.170 29.504 29.700 -0.044 0.000 0.740 257 E HN 0.627 nan 8.360 nan 0.000 0.454 258 N N -1.221 117.481 118.700 0.003 0.000 2.335 258 N HA 0.024 4.773 4.740 0.014 0.000 0.304 258 N C 0.524 176.056 175.510 0.037 0.000 1.135 258 N CA 0.173 53.239 53.050 0.027 0.000 0.817 258 N CB 1.588 40.102 38.487 0.044 0.000 1.294 258 N HN -0.189 nan 8.380 nan 0.000 0.497 259 S N 0.415 116.133 115.700 0.029 0.000 2.447 259 S HA -0.152 4.326 4.470 0.014 0.000 0.233 259 S C 1.655 176.210 174.600 -0.074 0.000 1.006 259 S CA 1.098 59.248 58.200 -0.082 0.000 0.957 259 S CB -0.797 62.333 63.200 -0.117 0.000 0.773 259 S HN 0.633 nan 8.310 nan 0.000 0.507 260 S N 1.318 117.115 115.700 0.162 0.000 2.414 260 S HA -0.366 4.112 4.470 0.014 0.000 0.241 260 S C 1.546 176.261 174.600 0.192 0.000 1.079 260 S CA 1.738 60.084 58.200 0.243 0.000 1.087 260 S CB -1.390 61.907 63.200 0.162 0.000 0.927 260 S HN 0.738 nan 8.310 nan 0.000 0.456 261 Y N 1.420 121.741 120.300 0.034 0.000 2.184 261 Y HA 0.013 4.570 4.550 0.013 0.000 0.290 261 Y C 2.761 178.729 175.900 0.114 0.000 1.129 261 Y CA 1.750 59.895 58.100 0.074 0.000 1.144 261 Y CB -0.277 38.215 38.460 0.053 0.000 0.995 261 Y HN 0.225 nan 8.280 nan 0.000 0.513 262 M N -0.359 119.275 119.600 0.058 0.000 2.213 262 M HA -0.250 4.238 4.480 0.014 0.000 0.263 262 M C 1.725 177.989 176.300 -0.060 0.000 1.062 262 M CA 1.846 57.124 55.300 -0.036 0.000 1.105 262 M CB -0.813 31.725 32.600 -0.103 0.000 1.385 262 M HN 0.440 nan 8.290 nan 0.000 0.417 263 H N -0.318 118.773 119.070 0.034 0.000 2.321 263 H HA -0.086 4.478 4.556 0.013 0.000 0.300 263 H C 2.359 177.657 175.328 -0.050 0.000 1.087 263 H CA 1.841 57.889 56.048 0.001 0.000 1.319 263 H CB -1.056 28.707 29.762 0.001 0.000 1.379 263 H HN 0.273 nan 8.280 nan 0.000 0.501 264 V N 0.817 120.733 119.914 0.003 0.000 2.317 264 V HA -0.309 3.820 4.120 0.014 0.000 0.251 264 V C 2.064 177.959 176.094 -0.332 0.000 1.065 264 V CA 1.996 64.169 62.300 -0.213 0.000 1.049 264 V CB -0.815 30.767 31.823 -0.403 0.000 0.651 264 V HN 0.376 nan 8.190 nan 0.000 0.450 265 Y N -0.757 119.468 120.300 -0.124 0.000 2.448 265 Y HA 0.056 4.614 4.550 0.012 0.000 0.289 265 Y C 2.569 178.443 175.900 -0.043 0.000 1.114 265 Y CA 0.978 59.019 58.100 -0.098 0.000 1.235 265 Y CB -0.248 38.124 38.460 -0.147 0.000 1.045 265 Y HN 0.045 nan 8.280 nan 0.000 0.554 266 R N 0.731 121.291 120.500 0.099 0.000 2.092 266 R HA -0.160 4.189 4.340 0.014 0.000 0.231 266 R C 1.694 178.022 176.300 0.048 0.000 1.119 266 R CA 1.746 57.892 56.100 0.076 0.000 0.970 266 R CB 0.006 30.363 30.300 0.094 0.000 0.864 266 R HN 0.390 nan 8.270 nan 0.000 0.440 267 E N 0.442 120.658 120.200 0.025 0.000 2.046 267 E HA -0.179 4.180 4.350 0.014 0.000 0.190 267 E C 1.993 178.585 176.600 -0.014 0.000 0.982 267 E CA 0.893 57.292 56.400 -0.001 0.000 0.800 267 E CB -0.118 29.569 29.700 -0.021 0.000 0.756 267 E HN 0.246 nan 8.360 nan 0.000 0.449 268 L N 1.423 122.622 121.223 -0.040 0.000 2.042 268 L HA -0.233 4.115 4.340 0.014 0.000 0.210 268 L C 2.365 179.245 176.870 0.016 0.000 1.076 268 L CA 1.877 56.699 54.840 -0.029 0.000 0.749 268 L CB -0.349 41.664 42.059 -0.077 0.000 0.893 268 L HN 0.220 nan 8.230 nan 0.000 0.432 269 E N -0.754 119.468 120.200 0.037 0.000 2.106 269 E HA -0.285 4.073 4.350 0.014 0.000 0.192 269 E C 2.051 178.665 176.600 0.023 0.000 0.984 269 E CA 0.995 57.418 56.400 0.039 0.000 0.806 269 E CB 0.127 29.856 29.700 0.048 0.000 0.750 269 E HN 0.412 nan 8.360 nan 0.000 0.458 270 Q N 0.132 119.943 119.800 0.019 0.000 2.167 270 Q HA -0.003 4.345 4.340 0.014 0.000 0.202 270 Q C 1.857 177.861 176.000 0.006 0.000 0.970 270 Q CA 1.470 57.280 55.803 0.012 0.000 0.855 270 Q CB -0.366 28.379 28.738 0.011 0.000 0.911 270 Q HN 0.401 nan 8.270 nan 0.000 0.438 271 A N -0.015 122.808 122.820 0.004 0.000 1.902 271 A HA -0.150 4.178 4.320 0.014 0.000 0.217 271 A C 2.035 179.623 177.584 0.006 0.000 1.181 271 A CA 1.276 53.315 52.037 0.002 0.000 0.623 271 A CB -0.583 18.418 19.000 0.002 0.000 0.818 271 A HN 0.374 nan 8.150 nan 0.000 0.443 272 I N -1.219 119.357 120.570 0.011 0.000 2.286 272 I HA -0.182 3.996 4.170 0.014 0.000 0.245 272 I C 2.623 178.740 176.117 0.000 0.000 1.104 272 I CA 0.698 62.002 61.300 0.008 0.000 1.397 272 I CB -0.312 37.696 38.000 0.012 0.000 1.072 272 I HN 0.159 nan 8.210 nan 0.000 0.417 273 R N 1.011 121.513 120.500 0.003 0.000 2.103 273 R HA -0.125 4.223 4.340 0.014 0.000 0.242 273 R C 2.163 178.462 176.300 -0.001 0.000 1.142 273 R CA 1.595 57.695 56.100 0.001 0.000 0.960 273 R CB -1.479 28.824 30.300 0.005 0.000 0.858 273 R HN 0.435 nan 8.270 nan 0.000 0.439 274 G N 0.416 109.215 108.800 -0.001 0.000 2.848 274 G HA2 0.122 4.091 3.960 0.014 0.000 0.208 274 G HA3 0.122 4.091 3.960 0.014 0.000 0.208 274 G C 0.425 175.321 174.900 -0.007 0.000 1.152 274 G CA 0.393 45.492 45.100 -0.003 0.000 0.789 274 G HN 0.427 nan 8.290 nan 0.000 0.531 275 A N 0.167 122.981 122.820 -0.011 0.000 2.483 275 A HA 0.451 4.780 4.320 0.014 0.000 0.238 275 A C -0.288 177.287 177.584 -0.016 0.000 1.070 275 A CA 0.072 52.097 52.037 -0.019 0.000 0.770 275 A CB 0.439 19.424 19.000 -0.025 0.000 1.008 275 A HN 0.149 nan 8.150 nan 0.000 0.497 276 D N 0.939 121.328 120.400 -0.018 0.000 2.478 276 D HA 0.480 5.128 4.640 0.014 0.000 0.240 276 D C 0.722 177.020 176.300 -0.004 0.000 1.364 276 D CA 0.266 54.263 54.000 -0.005 0.000 0.987 276 D CB 1.507 42.312 40.800 0.008 0.000 1.328 276 D HN 0.457 nan 8.370 nan 0.000 0.584 277 A N 3.661 126.477 122.820 -0.007 0.000 1.902 277 A HA -0.216 4.112 4.320 0.014 0.000 0.217 277 A C 1.847 179.452 177.584 0.034 0.000 1.181 277 A CA 1.346 53.380 52.037 -0.005 0.000 0.623 277 A CB -0.167 18.827 19.000 -0.011 0.000 0.818 277 A HN 0.567 nan 8.150 nan 0.000 0.443 278 Q N -0.127 119.698 119.800 0.041 0.000 2.050 278 Q HA -0.220 4.129 4.340 0.014 0.000 0.202 278 Q C 1.918 177.977 176.000 0.098 0.000 0.980 278 Q CA 1.673 57.515 55.803 0.064 0.000 0.840 278 Q CB -0.803 27.966 28.738 0.051 0.000 0.898 278 Q HN 0.885 nan 8.270 nan 0.000 0.424 279 E N 0.933 121.186 120.200 0.087 0.000 2.070 279 E HA -0.224 4.135 4.350 0.014 0.000 0.197 279 E C 1.089 177.805 176.600 0.193 0.000 1.004 279 E CA 1.521 57.991 56.400 0.117 0.000 0.805 279 E CB 0.147 29.893 29.700 0.075 0.000 0.744 279 E HN 0.274 nan 8.360 nan 0.000 0.451 280 D N 0.201 120.702 120.400 0.168 0.000 2.117 280 D HA -0.134 4.514 4.640 0.014 0.000 0.198 280 D C 1.971 178.546 176.300 0.459 0.000 0.982 280 D CA 0.509 54.676 54.000 0.278 0.000 0.828 280 D CB -0.235 40.594 40.800 0.048 0.000 0.967 280 D HN 0.169 nan 8.370 nan 0.000 0.464 281 L N 0.882 122.279 121.223 0.290 0.000 2.012 281 L HA -0.115 4.233 4.340 0.014 0.000 0.210 281 L C 2.338 179.386 176.870 0.297 0.000 1.073 281 L CA 1.476 56.486 54.840 0.282 0.000 0.748 281 L CB -0.850 41.307 42.059 0.163 0.000 0.891 281 L HN 0.017 nan 8.230 nan 0.000 0.431 282 R N -2.146 118.501 120.500 0.246 0.000 2.096 282 R HA -0.236 4.113 4.340 0.014 0.000 0.235 282 R C 2.225 178.665 176.300 0.235 0.000 1.127 282 R CA 1.624 57.844 56.100 0.200 0.000 0.968 282 R CB -0.563 29.832 30.300 0.158 0.000 0.861 282 R HN 0.452 nan 8.270 nan 0.000 0.440 283 W N 0.660 122.051 121.300 0.153 0.000 2.355 283 W HA -0.205 4.464 4.660 0.014 0.000 0.309 283 W C 1.810 178.401 176.519 0.121 0.000 1.206 283 W CA 1.185 58.611 57.345 0.135 0.000 1.284 283 W CB -0.500 29.067 29.460 0.178 0.000 1.145 283 W HN -0.017 nan 8.180 nan 0.000 0.502 284 F N 1.342 121.377 119.950 0.142 0.000 2.216 284 F HA -0.130 4.405 4.527 0.014 0.000 0.300 284 F C 2.752 178.421 175.800 -0.218 0.000 1.085 284 F CA 2.333 60.223 58.000 -0.184 0.000 1.326 284 F CB -0.570 38.469 39.000 0.066 0.000 1.027 284 F HN -0.185 nan 8.300 nan 0.000 0.497 285 R N 0.173 120.693 120.500 0.034 0.000 2.070 285 R HA -0.177 4.171 4.340 0.014 0.000 0.233 285 R C 2.478 178.665 176.300 -0.189 0.000 1.137 285 R CA 1.999 58.077 56.100 -0.037 0.000 0.945 285 R CB -0.641 29.692 30.300 0.055 0.000 0.845 285 R HN 0.422 nan 8.270 nan 0.000 0.430 286 S N -1.009 114.569 115.700 -0.203 0.000 2.453 286 S HA -0.083 4.396 4.470 0.014 0.000 0.231 286 S C 1.773 176.163 174.600 -0.349 0.000 1.005 286 S CA 1.296 59.366 58.200 -0.217 0.000 0.949 286 S CB -0.019 63.097 63.200 -0.140 0.000 0.774 286 S HN 0.593 nan 8.310 nan 0.000 0.510 287 T N -3.506 110.694 114.554 -0.591 0.000 2.971 287 T HA 0.364 4.723 4.350 0.014 0.000 0.252 287 T C 1.460 175.739 174.700 -0.701 0.000 1.022 287 T CA 0.457 62.147 62.100 -0.683 0.000 0.980 287 T CB 0.265 68.493 68.868 -1.066 0.000 1.044 287 T HN 0.297 nan 8.240 nan 0.000 0.501 288 S N -0.660 114.528 115.700 -0.854 0.000 2.651 288 S HA 0.570 5.048 4.470 0.014 0.000 0.259 288 S C 0.932 175.160 174.600 -0.621 0.000 1.073 288 S CA 0.119 57.772 58.200 -0.912 0.000 1.090 288 S CB 0.339 62.461 63.200 -1.797 0.000 1.042 288 S HN 0.764 nan 8.310 nan 0.000 0.581 289 G N 1.345 109.869 108.800 -0.460 0.000 3.122 289 G HA2 0.458 4.427 3.960 0.014 0.000 0.180 289 G HA3 0.458 4.427 3.960 0.014 0.000 0.180 289 G C -2.269 172.557 174.900 -0.122 0.000 1.279 289 G CA -0.751 44.233 45.100 -0.193 0.000 0.987 289 G HN 0.039 nan 8.290 nan 0.000 0.589 290 P HA 0.017 nan 4.420 nan 0.000 0.223 290 P C 1.717 179.008 177.300 -0.016 0.000 1.144 290 P CA 1.395 64.491 63.100 -0.007 0.000 0.783 290 P CB 0.024 31.742 31.700 0.030 0.000 0.771 291 G N -1.279 107.493 108.800 -0.048 0.000 2.598 291 G HA2 -0.081 3.887 3.960 0.014 0.000 0.215 291 G HA3 -0.081 3.887 3.960 0.014 0.000 0.215 291 G C 0.666 175.518 174.900 -0.081 0.000 1.131 291 G CA -0.025 45.044 45.100 -0.051 0.000 0.785 291 G HN 0.222 nan 8.290 nan 0.000 0.539 292 M N 1.191 120.718 119.600 -0.122 0.000 2.252 292 M HA 0.163 4.652 4.480 0.014 0.000 0.333 292 M C -1.861 174.379 176.300 -0.100 0.000 1.111 292 M CA -1.142 54.073 55.300 -0.141 0.000 1.140 292 M CB 0.406 32.897 32.600 -0.182 0.000 1.538 292 M HN -0.100 nan 8.290 nan 0.000 0.448 293 P HA 0.353 nan 4.420 nan 0.000 0.273 293 P C -1.078 176.116 177.300 -0.177 0.000 1.250 293 P CA -0.434 62.613 63.100 -0.088 0.000 0.793 293 P CB 0.593 32.248 31.700 -0.075 0.000 1.011 294 M N 1.164 120.623 119.600 -0.234 0.000 2.322 294 M HA 0.325 4.813 4.480 0.014 0.000 0.285 294 M C -1.863 174.152 176.300 -0.475 0.000 1.119 294 M CA -0.440 54.547 55.300 -0.520 0.000 0.953 294 M CB 1.524 33.484 32.600 -1.067 0.000 1.701 294 M HN 0.038 nan 8.290 nan 0.000 0.479 295 N N 4.121 122.597 118.700 -0.373 0.000 2.482 295 N HA 0.215 4.963 4.740 0.014 0.000 0.242 295 N C -1.472 173.906 175.510 -0.220 0.000 1.100 295 N CA 0.091 53.020 53.050 -0.201 0.000 0.946 295 N CB 0.169 38.586 38.487 -0.116 0.000 1.227 295 N HN 0.623 nan 8.380 nan 0.000 0.508 296 W N 2.126 123.422 121.300 -0.007 0.000 2.126 296 W HA 0.246 4.914 4.660 0.014 0.000 0.346 296 W C -1.333 175.188 176.519 0.003 0.000 1.279 296 W CA -1.280 56.063 57.345 -0.003 0.000 1.259 296 W CB -0.464 28.996 29.460 0.000 0.000 1.133 296 W HN 0.345 nan 8.180 nan 0.000 0.592 297 P HA -0.031 nan 4.420 nan 0.000 0.264 297 P C -0.751 176.638 177.300 0.148 0.000 1.193 297 P CA 0.115 63.309 63.100 0.156 0.000 0.763 297 P CB 0.425 32.211 31.700 0.143 0.000 0.810 298 Q N 2.091 121.959 119.800 0.114 0.000 2.587 298 Q HA 0.490 4.839 4.340 0.014 0.000 0.293 298 Q C -1.037 175.047 176.000 0.141 0.000 1.083 298 Q CA -1.025 54.857 55.803 0.132 0.000 0.792 298 Q CB 0.856 29.668 28.738 0.123 0.000 1.484 298 Q HN 0.246 nan 8.270 nan 0.000 0.446 299 F N 1.467 121.441 119.950 0.040 0.000 2.529 299 F HA 0.158 4.694 4.527 0.014 0.000 0.365 299 F C -0.318 175.507 175.800 0.041 0.000 1.102 299 F CA 0.265 58.287 58.000 0.038 0.000 1.271 299 F CB 0.775 39.795 39.000 0.033 0.000 1.120 299 F HN 0.405 nan 8.300 nan 0.000 0.579 300 E N 5.760 125.622 120.200 -0.563 0.000 2.129 300 E HA 0.144 4.502 4.350 0.014 0.000 0.268 300 E C -0.332 176.055 176.600 -0.355 0.000 0.900 300 E CA -0.674 55.542 56.400 -0.306 0.000 0.755 300 E CB 1.398 30.968 29.700 -0.216 0.000 1.117 300 E HN 0.602 nan 8.360 nan 0.000 0.410 301 E N 1.297 121.470 120.200 -0.044 0.000 2.397 301 E HA 0.094 4.452 4.350 0.014 0.000 0.254 301 E C -0.406 176.261 176.600 0.111 0.000 1.231 301 E CA -0.177 56.282 56.400 0.098 0.000 0.954 301 E CB 0.872 30.666 29.700 0.157 0.000 1.024 301 E HN 0.412 nan 8.360 nan 0.000 0.481 302 W N 2.149 123.445 121.300 -0.007 0.000 2.438 302 W HA 0.234 4.902 4.660 0.014 0.000 0.324 302 W C -0.611 175.906 176.519 -0.003 0.000 1.119 302 W CA -0.220 57.116 57.345 -0.015 0.000 1.221 302 W CB 0.557 30.015 29.460 -0.002 0.000 1.253 302 W HN 0.438 nan 8.180 nan 0.000 0.555 303 N N 4.689 122.930 118.700 -0.764 0.000 2.859 303 N HA 0.501 5.250 4.740 0.014 0.000 0.250 303 N C -2.858 172.110 175.510 -0.904 0.000 1.341 303 N CA -1.369 51.230 53.050 -0.751 0.000 0.881 303 N CB 0.479 38.773 38.487 -0.321 0.000 1.516 303 N HN 0.237 nan 8.380 nan 0.000 0.503 304 P HA 0.000 nan 4.420 nan 0.000 0.216 304 P CA 0.000 62.819 63.100 -0.469 0.000 0.800 304 P CB 0.000 31.543 31.700 -0.262 0.000 0.726