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 2djz_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGLKTSIIG RRVIYFQEIT STNEFAKTSY LEEGTVIVAD KQTMGHGRLN DATA SEQUENCE RKWESPEGGL WLSIVLSPKV PQKDLPKIVF LGAVGVVETL KEFSIDGRIK DATA SEQUENCE WPNDVLVNYK AIAGVLVEGK GDKIVLGIGL NVNNKVPNGA TSMKLELGSE DATA SEQUENCE VPLLSVFRSL ITNLDRLYLN FLKNPMDILN LVRDNMILGV RVKILGDGSF DATA SEQUENCE EGIAEDIDDF GRLIIRLDSG EVKKVIYGDV SLRFL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.294 176.300 -0.011 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.027 0.000 1.302 2 L N 1.556 122.777 121.223 -0.002 0.000 2.313 2 L HA 0.419 4.769 4.340 0.016 0.000 0.214 2 L C 1.486 178.377 176.870 0.035 0.000 1.119 2 L CA 1.045 55.894 54.840 0.014 0.000 0.809 2 L CB -0.498 41.582 42.059 0.035 0.000 0.933 2 L HN 0.869 nan 8.230 nan 0.000 0.449 3 G N 1.275 110.093 108.800 0.031 0.000 2.273 3 G HA2 -0.283 3.686 3.960 0.016 0.000 0.280 3 G HA3 -0.283 3.686 3.960 0.016 0.000 0.280 3 G C 0.219 175.144 174.900 0.042 0.000 1.047 3 G CA -0.106 45.013 45.100 0.031 0.000 0.869 3 G HN 0.236 nan 8.290 nan 0.000 0.502 4 L N -0.643 120.615 121.223 0.058 0.000 2.456 4 L HA 0.266 4.616 4.340 0.016 0.000 0.272 4 L C 1.140 178.036 176.870 0.043 0.000 1.189 4 L CA 0.006 54.883 54.840 0.061 0.000 0.846 4 L CB 0.576 42.686 42.059 0.085 0.000 1.111 4 L HN -0.038 nan 8.230 nan 0.000 0.475 5 K N 1.237 121.658 120.400 0.034 0.000 2.537 5 K HA 0.160 4.490 4.320 0.016 0.000 0.206 5 K C 0.307 176.923 176.600 0.027 0.000 1.041 5 K CA -0.090 56.214 56.287 0.028 0.000 1.090 5 K CB 0.345 32.858 32.500 0.022 0.000 0.833 5 K HN 0.717 nan 8.250 nan 0.000 0.493 6 T N -2.068 112.503 114.554 0.029 0.000 2.860 6 T HA 0.200 4.560 4.350 0.016 0.000 0.299 6 T C 1.360 176.085 174.700 0.041 0.000 1.045 6 T CA -0.302 61.816 62.100 0.031 0.000 1.071 6 T CB 1.432 70.313 68.868 0.022 0.000 0.985 6 T HN -0.094 nan 8.240 nan 0.000 0.537 7 S N 0.442 116.173 115.700 0.050 0.000 2.404 7 S HA 0.184 4.663 4.470 0.016 0.000 0.223 7 S C 1.554 176.198 174.600 0.073 0.000 1.040 7 S CA 0.261 58.495 58.200 0.057 0.000 0.957 7 S CB -0.308 62.925 63.200 0.055 0.000 0.826 7 S HN 0.704 nan 8.310 nan 0.000 0.491 8 I N -0.011 120.617 120.570 0.097 0.000 3.623 8 I HA 0.262 4.442 4.170 0.016 0.000 0.253 8 I C -0.213 175.952 176.117 0.079 0.000 1.144 8 I CA -0.008 61.362 61.300 0.117 0.000 1.461 8 I CB 0.140 38.271 38.000 0.218 0.000 1.575 8 I HN 0.023 nan 8.210 nan 0.000 0.445 9 I N 2.823 123.431 120.570 0.063 0.000 2.581 9 I HA 0.130 4.309 4.170 0.016 0.000 0.285 9 I C 0.974 177.096 176.117 0.008 0.000 1.129 9 I CA 0.760 62.060 61.300 -0.000 0.000 1.397 9 I CB 0.052 38.023 38.000 -0.048 0.000 1.399 9 I HN 0.610 nan 8.210 nan 0.000 0.537 10 G N 5.187 114.006 108.800 0.032 0.000 2.148 10 G HA2 -0.224 3.745 3.960 0.016 0.000 0.203 10 G HA3 -0.224 3.745 3.960 0.016 0.000 0.203 10 G C 1.013 175.960 174.900 0.078 0.000 0.993 10 G CA -0.306 44.834 45.100 0.066 0.000 0.661 10 G HN 0.650 nan 8.290 nan 0.000 0.518 11 R N -0.394 120.147 120.500 0.068 0.000 2.148 11 R HA 0.073 4.422 4.340 0.016 0.000 0.227 11 R C 1.099 177.441 176.300 0.071 0.000 1.103 11 R CA 1.054 57.193 56.100 0.065 0.000 0.983 11 R CB 0.037 30.374 30.300 0.061 0.000 0.874 11 R HN 0.399 nan 8.270 nan 0.000 0.451 12 R N -0.183 120.367 120.500 0.083 0.000 2.651 12 R HA 0.453 4.803 4.340 0.016 0.000 0.278 12 R C -1.540 174.829 176.300 0.115 0.000 1.010 12 R CA -0.646 55.507 56.100 0.088 0.000 0.896 12 R CB 2.972 33.323 30.300 0.085 0.000 1.211 12 R HN -0.173 nan 8.270 nan 0.000 0.456 13 V N 4.064 124.047 119.914 0.114 0.000 2.686 13 V HA 0.491 4.620 4.120 0.016 0.000 0.306 13 V C -0.494 175.660 176.094 0.101 0.000 1.065 13 V CA -0.674 61.710 62.300 0.141 0.000 0.894 13 V CB 2.216 34.135 31.823 0.160 0.000 1.004 13 V HN 0.616 nan 8.190 nan 0.000 0.424 14 I N 5.044 125.688 120.570 0.124 0.000 2.355 14 I HA 0.407 4.587 4.170 0.016 0.000 0.288 14 I C -1.027 175.132 176.117 0.070 0.000 0.999 14 I CA -0.651 60.678 61.300 0.047 0.000 1.163 14 I CB 1.301 39.353 38.000 0.087 0.000 1.316 14 I HN 0.699 nan 8.210 nan 0.000 0.454 15 Y N 7.727 127.920 120.300 -0.178 0.000 2.342 15 Y HA 0.640 5.199 4.550 0.015 0.000 0.334 15 Y C -1.577 174.161 175.900 -0.270 0.000 1.067 15 Y CA -0.627 57.404 58.100 -0.115 0.000 1.128 15 Y CB 1.051 39.425 38.460 -0.143 0.000 1.200 15 Y HN 0.308 nan 8.280 nan 0.000 0.464 16 F N 4.076 123.422 119.950 -1.007 0.000 2.540 16 F HA 0.354 4.890 4.527 0.015 0.000 0.317 16 F C 0.920 176.115 175.800 -1.008 0.000 1.104 16 F CA -0.787 56.698 58.000 -0.858 0.000 0.913 16 F CB 2.305 41.023 39.000 -0.470 0.000 1.170 16 F HN 0.592 nan 8.300 nan 0.000 0.450 17 Q N 0.719 120.212 119.800 -0.513 0.000 2.119 17 Q HA -0.087 4.263 4.340 0.016 0.000 0.201 17 Q C 0.116 176.073 176.000 -0.070 0.000 0.972 17 Q CA 1.333 57.010 55.803 -0.210 0.000 0.847 17 Q CB 0.464 29.173 28.738 -0.048 0.000 0.903 17 Q HN 0.699 nan 8.270 nan 0.000 0.433 18 E N -0.510 119.665 120.200 -0.041 0.000 2.372 18 E HA 0.553 4.913 4.350 0.016 0.000 0.279 18 E C -1.883 174.688 176.600 -0.047 0.000 0.946 18 E CA -0.392 55.995 56.400 -0.020 0.000 0.769 18 E CB 1.749 31.445 29.700 -0.007 0.000 1.230 18 E HN 0.083 nan 8.360 nan 0.000 0.442 19 I N 1.974 122.469 120.570 -0.125 0.000 3.093 19 I HA 0.264 4.443 4.170 0.016 0.000 0.308 19 I C 1.047 177.066 176.117 -0.162 0.000 1.303 19 I CA -0.315 60.838 61.300 -0.246 0.000 0.975 19 I CB 2.236 39.873 38.000 -0.605 0.000 1.286 19 I HN 0.861 nan 8.210 nan 0.000 0.459 20 T N 0.671 115.144 114.554 -0.136 0.000 2.668 20 T HA 0.026 4.385 4.350 0.016 0.000 0.262 20 T C 0.656 175.309 174.700 -0.078 0.000 1.045 20 T CA 0.984 63.039 62.100 -0.075 0.000 1.152 20 T CB -0.182 68.666 68.868 -0.034 0.000 0.864 20 T HN 0.525 nan 8.240 nan 0.000 0.419 21 S N 0.059 115.703 115.700 -0.094 0.000 2.584 21 S HA 0.414 4.894 4.470 0.016 0.000 0.280 21 S C 0.807 175.344 174.600 -0.106 0.000 1.162 21 S CA 0.019 58.168 58.200 -0.086 0.000 0.951 21 S CB 1.387 64.594 63.200 0.011 0.000 1.108 21 S HN 0.537 nan 8.310 nan 0.000 0.464 22 T N 2.880 117.356 114.554 -0.130 0.000 2.867 22 T HA -0.078 4.281 4.350 0.016 0.000 0.268 22 T C 1.430 176.121 174.700 -0.014 0.000 1.057 22 T CA 1.618 63.658 62.100 -0.099 0.000 1.136 22 T CB -0.591 68.243 68.868 -0.057 0.000 0.874 22 T HN 0.524 nan 8.240 nan 0.000 0.466 23 N N 1.233 119.894 118.700 -0.065 0.000 2.142 23 N HA -0.043 4.706 4.740 0.016 0.000 0.186 23 N C 2.064 177.586 175.510 0.020 0.000 1.023 23 N CA 1.143 54.165 53.050 -0.046 0.000 0.852 23 N CB -0.229 38.178 38.487 -0.134 0.000 0.998 23 N HN 0.410 nan 8.380 nan 0.000 0.424 24 E N -0.140 120.094 120.200 0.056 0.000 2.077 24 E HA -0.149 4.210 4.350 0.016 0.000 0.193 24 E C 1.781 178.394 176.600 0.023 0.000 0.989 24 E CA 0.558 56.991 56.400 0.055 0.000 0.800 24 E CB -0.513 29.230 29.700 0.072 0.000 0.746 24 E HN 0.402 nan 8.360 nan 0.000 0.452 25 F N 1.495 121.385 119.950 -0.100 0.000 2.134 25 F HA -0.165 4.372 4.527 0.016 0.000 0.299 25 F C 2.250 178.013 175.800 -0.062 0.000 1.097 25 F CA 1.534 59.472 58.000 -0.103 0.000 1.264 25 F CB -0.172 38.711 39.000 -0.195 0.000 1.001 25 F HN -0.006 nan 8.300 nan 0.000 0.479 26 A N 0.242 123.136 122.820 0.123 0.000 1.898 26 A HA -0.182 4.148 4.320 0.016 0.000 0.216 26 A C 2.241 179.783 177.584 -0.070 0.000 1.181 26 A CA 1.755 53.823 52.037 0.051 0.000 0.620 26 A CB -0.640 18.405 19.000 0.076 0.000 0.819 26 A HN 0.433 nan 8.150 nan 0.000 0.442 27 K N -0.929 119.430 120.400 -0.069 0.000 2.057 27 K HA -0.090 4.239 4.320 0.016 0.000 0.207 27 K C 2.085 178.589 176.600 -0.160 0.000 1.049 27 K CA 1.774 58.008 56.287 -0.088 0.000 0.931 27 K CB -0.336 32.130 32.500 -0.057 0.000 0.714 27 K HN 0.480 nan 8.250 nan 0.000 0.440 28 T N 0.932 115.356 114.554 -0.216 0.000 2.809 28 T HA -0.019 4.341 4.350 0.016 0.000 0.260 28 T C 1.024 175.454 174.700 -0.449 0.000 1.039 28 T CA 0.574 62.495 62.100 -0.298 0.000 1.141 28 T CB 0.044 68.749 68.868 -0.271 0.000 0.869 28 T HN 0.086 nan 8.240 nan 0.000 0.437 29 S N 0.696 116.078 115.700 -0.530 0.000 2.593 29 S HA 0.286 4.765 4.470 0.016 0.000 0.269 29 S C -0.744 173.632 174.600 -0.374 0.000 1.334 29 S CA -0.548 57.330 58.200 -0.538 0.000 1.015 29 S CB 0.117 62.883 63.200 -0.724 0.000 0.912 29 S HN 0.270 nan 8.310 nan 0.000 0.541 30 Y N 1.842 122.079 120.300 -0.105 0.000 2.539 30 Y HA 0.425 4.985 4.550 0.016 0.000 0.352 30 Y C 0.086 175.976 175.900 -0.016 0.000 1.004 30 Y CA -0.269 57.804 58.100 -0.046 0.000 1.278 30 Y CB -0.402 38.041 38.460 -0.028 0.000 1.136 30 Y HN 0.319 nan 8.280 nan 0.000 0.528 31 L N 3.023 124.321 121.223 0.125 0.000 2.388 31 L HA 0.477 4.826 4.340 0.016 0.000 0.264 31 L C -0.203 176.725 176.870 0.095 0.000 0.998 31 L CA -1.258 53.646 54.840 0.107 0.000 0.817 31 L CB 1.962 44.077 42.059 0.093 0.000 1.338 31 L HN 0.335 nan 8.230 nan 0.000 0.414 32 E N 1.547 121.801 120.200 0.089 0.000 2.366 32 E HA 0.066 4.426 4.350 0.016 0.000 0.266 32 E C -0.402 176.239 176.600 0.067 0.000 1.051 32 E CA -0.252 56.193 56.400 0.075 0.000 0.884 32 E CB 1.169 30.911 29.700 0.070 0.000 1.006 32 E HN 0.492 nan 8.360 nan 0.000 0.417 33 E N 0.043 120.282 120.200 0.065 0.000 2.442 33 E HA 0.061 4.421 4.350 0.016 0.000 0.262 33 E C 0.691 177.321 176.600 0.050 0.000 1.004 33 E CA 0.883 57.317 56.400 0.056 0.000 0.928 33 E CB 0.131 29.883 29.700 0.087 0.000 0.937 33 E HN 0.679 nan 8.360 nan 0.000 0.446 34 G N 3.094 111.900 108.800 0.011 0.000 2.195 34 G HA2 -0.252 3.717 3.960 0.016 0.000 0.246 34 G HA3 -0.252 3.717 3.960 0.016 0.000 0.246 34 G C 0.314 175.232 174.900 0.030 0.000 0.984 34 G CA 0.260 45.366 45.100 0.009 0.000 0.633 34 G HN 0.635 nan 8.290 nan 0.000 0.525 35 T N 1.338 115.922 114.554 0.051 0.000 2.870 35 T HA 0.461 4.821 4.350 0.016 0.000 0.300 35 T C 0.429 175.184 174.700 0.092 0.000 0.989 35 T CA 0.206 62.358 62.100 0.087 0.000 1.139 35 T CB 2.077 71.013 68.868 0.112 0.000 0.920 35 T HN 0.485 nan 8.240 nan 0.000 0.537 36 V N 5.395 125.385 119.914 0.127 0.000 2.398 36 V HA 0.397 4.527 4.120 0.016 0.000 0.286 36 V C -0.104 176.106 176.094 0.195 0.000 1.026 36 V CA -0.914 61.477 62.300 0.153 0.000 0.868 36 V CB 1.407 33.357 31.823 0.212 0.000 0.982 36 V HN 0.689 nan 8.190 nan 0.000 0.443 37 I N 5.527 126.206 120.570 0.182 0.000 2.339 37 I HA 0.531 4.710 4.170 0.016 0.000 0.290 37 I C -0.201 176.015 176.117 0.165 0.000 0.994 37 I CA -0.373 61.044 61.300 0.194 0.000 1.191 37 I CB 1.427 39.531 38.000 0.173 0.000 1.343 37 I HN 0.377 nan 8.210 nan 0.000 0.458 38 V N 5.938 125.973 119.914 0.202 0.000 2.789 38 V HA 0.937 5.066 4.120 0.016 0.000 0.311 38 V C -0.884 175.316 176.094 0.177 0.000 1.073 38 V CA -0.303 62.109 62.300 0.186 0.000 0.921 38 V CB 2.107 34.042 31.823 0.187 0.000 1.009 38 V HN 0.906 nan 8.190 nan 0.000 0.426 39 A N 3.622 126.533 122.820 0.152 0.000 2.475 39 A HA 0.640 4.970 4.320 0.016 0.000 0.301 39 A C 0.186 177.899 177.584 0.215 0.000 1.059 39 A CA -0.413 51.685 52.037 0.102 0.000 0.710 39 A CB 1.595 20.602 19.000 0.013 0.000 1.288 39 A HN 0.786 nan 8.150 nan 0.000 0.408 40 D N 0.597 121.096 120.400 0.165 0.000 2.144 40 D HA -0.033 4.617 4.640 0.016 0.000 0.199 40 D C 0.410 176.923 176.300 0.355 0.000 0.984 40 D CA 1.860 55.992 54.000 0.220 0.000 0.834 40 D CB 0.169 41.077 40.800 0.179 0.000 0.955 40 D HN 0.694 nan 8.370 nan 0.000 0.465 41 K N -0.528 120.040 120.400 0.280 0.000 2.551 41 K HA 0.468 4.797 4.320 0.016 0.000 0.269 41 K C -1.155 175.461 176.600 0.026 0.000 0.949 41 K CA -0.847 55.568 56.287 0.212 0.000 0.849 41 K CB 1.910 34.482 32.500 0.121 0.000 1.411 41 K HN -0.261 nan 8.250 nan 0.000 0.432 42 Q N 0.887 120.602 119.800 -0.142 0.000 2.337 42 Q HA 0.240 4.590 4.340 0.016 0.000 0.266 42 Q C 0.179 176.094 176.000 -0.141 0.000 1.023 42 Q CA -0.678 55.030 55.803 -0.159 0.000 0.829 42 Q CB 2.325 30.929 28.738 -0.225 0.000 1.306 42 Q HN 0.901 nan 8.270 nan 0.000 0.449 43 T N -1.436 113.061 114.554 -0.095 0.000 3.044 43 T HA 0.169 4.529 4.350 0.016 0.000 0.255 43 T C 0.971 175.634 174.700 -0.061 0.000 1.073 43 T CA 0.457 62.514 62.100 -0.072 0.000 1.125 43 T CB 0.215 69.054 68.868 -0.048 0.000 0.908 43 T HN 0.521 nan 8.240 nan 0.000 0.480 44 M N 1.901 121.471 119.600 -0.050 0.000 3.189 44 M HA 0.405 4.894 4.480 0.016 0.000 0.365 44 M C 0.512 176.831 176.300 0.032 0.000 1.447 44 M CA -0.734 54.561 55.300 -0.007 0.000 0.739 44 M CB 1.316 33.922 32.600 0.009 0.000 1.411 44 M HN 0.275 nan 8.290 nan 0.000 0.494 45 G N 0.634 109.416 108.800 -0.031 0.000 2.491 45 G HA2 0.346 4.315 3.960 0.016 0.000 0.242 45 G HA3 0.346 4.315 3.960 0.016 0.000 0.242 45 G C -0.739 174.212 174.900 0.084 0.000 1.266 45 G CA 0.136 45.212 45.100 -0.039 0.000 0.844 45 G HN 0.731 nan 8.290 nan 0.000 0.571 46 H N -1.243 117.841 119.070 0.023 0.000 2.980 46 H HA 0.757 5.323 4.556 0.017 0.000 0.367 46 H C 0.337 175.673 175.328 0.015 0.000 1.206 46 H CA -0.541 55.532 56.048 0.042 0.000 1.126 46 H CB 1.282 31.042 29.762 -0.005 0.000 1.838 46 H HN 0.694 nan 8.280 nan 0.000 0.552 47 G N 0.433 109.342 108.800 0.182 0.000 2.940 47 G HA2 0.398 4.368 3.960 0.016 0.000 0.164 47 G HA3 0.398 4.368 3.960 0.016 0.000 0.164 47 G C -0.636 174.331 174.900 0.111 0.000 1.326 47 G CA -1.471 43.673 45.100 0.072 0.000 1.020 47 G HN 0.626 nan 8.290 nan 0.000 0.586 48 R N -0.423 120.107 120.500 0.051 0.000 2.490 48 R HA 0.425 4.775 4.340 0.016 0.000 0.280 48 R C -0.061 176.265 176.300 0.042 0.000 1.077 48 R CA -0.223 55.899 56.100 0.036 0.000 1.065 48 R CB 0.421 30.722 30.300 0.002 0.000 1.003 48 R HN 0.392 nan 8.270 nan 0.000 0.470 49 L N 1.907 123.144 121.223 0.023 0.000 3.608 49 L HA -0.318 4.032 4.340 0.016 0.000 0.422 49 L C 0.129 176.996 176.870 -0.005 0.000 1.260 49 L CA 0.291 55.132 54.840 0.002 0.000 0.889 49 L CB -1.639 40.424 42.059 0.007 0.000 1.821 49 L HN 0.930 nan 8.230 nan 0.000 0.884 50 N N 0.016 118.705 118.700 -0.018 0.000 2.681 50 N HA -0.204 4.546 4.740 0.016 0.000 0.250 50 N C 0.531 176.057 175.510 0.025 0.000 1.133 50 N CA 1.528 54.548 53.050 -0.050 0.000 0.732 50 N CB -0.193 38.230 38.487 -0.107 0.000 1.107 50 N HN 0.542 nan 8.380 nan 0.000 0.559 51 R N 0.627 121.165 120.500 0.063 0.000 2.734 51 R HA 0.066 4.415 4.340 0.016 0.000 0.266 51 R C 0.673 177.039 176.300 0.111 0.000 1.044 51 R CA -0.049 56.093 56.100 0.069 0.000 1.128 51 R CB 0.529 30.877 30.300 0.080 0.000 1.010 51 R HN 0.217 nan 8.270 nan 0.000 0.461 52 K N 2.035 122.481 120.400 0.076 0.000 2.218 52 K HA 0.067 4.396 4.320 0.016 0.000 0.276 52 K C -1.047 175.617 176.600 0.108 0.000 1.022 52 K CA -0.372 55.961 56.287 0.077 0.000 0.946 52 K CB 0.846 33.349 32.500 0.004 0.000 1.000 52 K HN 0.542 nan 8.250 nan 0.000 0.468 53 W N 5.949 127.191 121.300 -0.097 0.000 2.362 53 W HA 0.198 4.867 4.660 0.015 0.000 0.316 53 W C -0.951 175.416 176.519 -0.253 0.000 1.024 53 W CA -0.635 56.615 57.345 -0.158 0.000 1.270 53 W CB 1.191 30.540 29.460 -0.185 0.000 1.273 53 W HN 0.620 nan 8.180 nan 0.000 0.424 54 E N 3.192 122.980 120.200 -0.687 0.000 2.351 54 E HA 0.054 4.413 4.350 0.016 0.000 0.266 54 E C -0.230 175.893 176.600 -0.794 0.000 1.031 54 E CA 0.426 56.487 56.400 -0.566 0.000 0.911 54 E CB 1.054 30.484 29.700 -0.450 0.000 0.986 54 E HN 0.247 nan 8.360 nan 0.000 0.446 55 S N 4.754 120.042 115.700 -0.687 0.000 2.139 55 S HA 0.249 4.729 4.470 0.016 0.000 0.183 55 S C -2.230 172.098 174.600 -0.453 0.000 1.473 55 S CA -1.055 56.414 58.200 -1.218 0.000 1.263 55 S CB 0.766 63.157 63.200 -1.348 0.000 1.170 55 S HN 0.365 nan 8.310 nan 0.000 0.430 56 P HA 0.256 nan 4.420 nan 0.000 0.276 56 P C -0.398 177.139 177.300 0.396 0.000 1.261 56 P CA -0.470 62.721 63.100 0.151 0.000 0.800 56 P CB 0.775 32.528 31.700 0.088 0.000 1.066 57 E N -0.550 119.796 120.200 0.243 0.000 2.413 57 E HA 0.301 4.661 4.350 0.016 0.000 0.263 57 E C 1.049 177.745 176.600 0.160 0.000 1.015 57 E CA 0.947 57.476 56.400 0.214 0.000 0.916 57 E CB -0.323 29.451 29.700 0.122 0.000 0.947 57 E HN 0.815 nan 8.360 nan 0.000 0.440 58 G N 1.889 110.737 108.800 0.081 0.000 2.253 58 G HA2 -0.173 3.796 3.960 0.016 0.000 0.209 58 G HA3 -0.173 3.796 3.960 0.016 0.000 0.209 58 G C 0.446 175.268 174.900 -0.129 0.000 0.997 58 G CA -0.380 44.718 45.100 -0.003 0.000 0.640 58 G HN 0.814 nan 8.290 nan 0.000 0.496 59 G N -0.669 107.978 108.800 -0.254 0.000 2.552 59 G HA2 0.694 4.663 3.960 0.016 0.000 0.318 59 G HA3 0.694 4.663 3.960 0.016 0.000 0.318 59 G C -0.896 173.221 174.900 -1.305 0.000 1.240 59 G CA -0.635 43.941 45.100 -0.874 0.000 1.002 59 G HN 0.887 nan 8.290 nan 0.000 0.493 60 L N 0.436 120.876 121.223 -1.306 0.000 2.295 60 L HA 0.583 4.933 4.340 0.016 0.000 0.281 60 L C -1.428 175.088 176.870 -0.590 0.000 1.018 60 L CA -1.130 53.265 54.840 -0.742 0.000 0.841 60 L CB 0.350 42.218 42.059 -0.318 0.000 1.218 60 L HN 0.516 nan 8.230 nan 0.000 0.424 61 W N 7.701 129.047 121.300 0.076 0.000 2.362 61 W HA 0.624 5.292 4.660 0.012 0.000 0.316 61 W C -0.875 175.656 176.519 0.019 0.000 1.024 61 W CA -0.995 56.372 57.345 0.036 0.000 1.270 61 W CB 0.987 30.473 29.460 0.042 0.000 1.273 61 W HN 0.377 nan 8.180 nan 0.000 0.424 62 L N 0.564 121.891 121.223 0.174 0.000 2.479 62 L HA 0.930 5.280 4.340 0.016 0.000 0.255 62 L C -0.445 176.446 176.870 0.035 0.000 1.026 62 L CA -1.116 53.793 54.840 0.115 0.000 0.842 62 L CB 1.889 44.042 42.059 0.156 0.000 1.444 62 L HN 0.059 nan 8.230 nan 0.000 0.409 63 S N 0.598 116.320 115.700 0.037 0.000 2.549 63 S HA 0.872 5.351 4.470 0.016 0.000 0.280 63 S C -0.884 173.723 174.600 0.011 0.000 1.109 63 S CA -0.415 57.782 58.200 -0.004 0.000 0.905 63 S CB 1.637 64.835 63.200 -0.004 0.000 1.081 63 S HN 0.587 nan 8.310 nan 0.000 0.477 64 I N 1.713 122.260 120.570 -0.037 0.000 2.466 64 I HA 0.381 4.560 4.170 0.016 0.000 0.289 64 I C -0.806 175.268 176.117 -0.071 0.000 1.026 64 I CA -0.952 60.316 61.300 -0.052 0.000 1.078 64 I CB 1.943 39.873 38.000 -0.115 0.000 1.249 64 I HN 0.267 nan 8.210 nan 0.000 0.429 65 V N 7.231 127.122 119.914 -0.038 0.000 2.488 65 V HA 0.360 4.489 4.120 0.016 0.000 0.277 65 V C 0.112 176.158 176.094 -0.080 0.000 1.046 65 V CA -0.075 62.204 62.300 -0.035 0.000 0.986 65 V CB 0.869 32.700 31.823 0.014 0.000 0.989 65 V HN 0.450 nan 8.190 nan 0.000 0.475 66 L N 3.793 124.963 121.223 -0.089 0.000 2.354 66 L HA 0.617 4.967 4.340 0.016 0.000 0.264 66 L C 0.072 176.957 176.870 0.026 0.000 1.008 66 L CA -0.347 54.431 54.840 -0.104 0.000 0.819 66 L CB 2.305 44.220 42.059 -0.240 0.000 1.339 66 L HN 0.543 nan 8.230 nan 0.000 0.420 67 S N 2.121 117.891 115.700 0.117 0.000 2.407 67 S HA 0.322 4.802 4.470 0.016 0.000 0.166 67 S C -2.526 172.195 174.600 0.202 0.000 1.445 67 S CA -1.009 57.269 58.200 0.130 0.000 1.260 67 S CB 0.345 63.607 63.200 0.102 0.000 1.401 67 S HN 0.356 nan 8.310 nan 0.000 0.379 68 P HA 0.161 nan 4.420 nan 0.000 0.266 68 P C -0.772 176.639 177.300 0.185 0.000 1.215 68 P CA -0.249 63.045 63.100 0.324 0.000 0.763 68 P CB 0.476 32.453 31.700 0.461 0.000 0.806 69 K N 3.813 124.283 120.400 0.117 0.000 2.222 69 K HA 0.288 4.618 4.320 0.016 0.000 0.243 69 K C 0.300 176.915 176.600 0.026 0.000 1.160 69 K CA -0.427 55.897 56.287 0.062 0.000 1.090 69 K CB -0.070 32.453 32.500 0.037 0.000 1.694 69 K HN 0.387 nan 8.250 nan 0.000 0.361 70 V N -1.200 118.741 119.914 0.046 0.000 3.159 70 V HA 0.648 4.778 4.120 0.016 0.000 0.308 70 V C -2.722 173.393 176.094 0.035 0.000 1.190 70 V CA -2.697 59.602 62.300 -0.001 0.000 1.037 70 V CB 1.632 33.419 31.823 -0.060 0.000 1.060 70 V HN 0.158 nan 8.190 nan 0.000 0.437 71 P HA 0.149 nan 4.420 nan 0.000 0.267 71 P C 0.623 177.966 177.300 0.070 0.000 1.200 71 P CA 0.163 63.288 63.100 0.042 0.000 0.772 71 P CB 0.471 32.195 31.700 0.040 0.000 0.855 72 Q N 2.592 122.427 119.800 0.059 0.000 2.152 72 Q HA -0.253 4.097 4.340 0.016 0.000 0.206 72 Q C 1.563 177.604 176.000 0.069 0.000 0.985 72 Q CA 1.814 57.652 55.803 0.058 0.000 0.863 72 Q CB -0.096 28.662 28.738 0.033 0.000 0.904 72 Q HN 0.453 nan 8.270 nan 0.000 0.422 73 K N -0.795 119.649 120.400 0.074 0.000 2.442 73 K HA -0.118 4.212 4.320 0.016 0.000 0.198 73 K C 0.570 177.275 176.600 0.174 0.000 1.042 73 K CA 1.403 57.745 56.287 0.091 0.000 0.958 73 K CB 0.249 32.812 32.500 0.106 0.000 0.766 73 K HN 0.171 nan 8.250 nan 0.000 0.474 74 D N 1.084 121.594 120.400 0.184 0.000 2.366 74 D HA 0.068 4.718 4.640 0.016 0.000 0.205 74 D C 1.887 178.390 176.300 0.339 0.000 1.022 74 D CA 0.233 54.392 54.000 0.265 0.000 0.868 74 D CB 0.151 41.058 40.800 0.178 0.000 0.953 74 D HN 0.170 nan 8.370 nan 0.000 0.514 75 L N 1.094 122.457 121.223 0.234 0.000 2.129 75 L HA -0.153 4.196 4.340 0.016 0.000 0.212 75 L C -0.530 176.410 176.870 0.116 0.000 1.087 75 L CA 1.365 56.316 54.840 0.185 0.000 0.757 75 L CB -1.641 40.482 42.059 0.107 0.000 0.896 75 L HN 0.000 nan 8.230 nan 0.000 0.434 76 P HA -0.147 nan 4.420 nan 0.000 0.225 76 P C 1.065 178.392 177.300 0.045 0.000 1.148 76 P CA 1.187 64.329 63.100 0.070 0.000 0.779 76 P CB 0.006 31.699 31.700 -0.011 0.000 0.780 77 K N -0.996 119.474 120.400 0.116 0.000 2.459 77 K HA 0.056 4.385 4.320 0.016 0.000 0.193 77 K C 1.553 178.067 176.600 -0.145 0.000 1.030 77 K CA 0.332 56.684 56.287 0.108 0.000 1.026 77 K CB -0.215 32.590 32.500 0.509 0.000 0.809 77 K HN 0.107 nan 8.250 nan 0.000 0.504 78 I N 0.871 121.306 120.570 -0.226 0.000 2.264 78 I HA -0.230 3.949 4.170 0.016 0.000 0.248 78 I C 2.267 178.207 176.117 -0.295 0.000 1.111 78 I CA 1.144 62.243 61.300 -0.336 0.000 1.382 78 I CB -0.967 36.896 38.000 -0.228 0.000 1.060 78 I HN -0.017 nan 8.210 nan 0.000 0.418 79 V N 0.864 120.553 119.914 -0.374 0.000 2.490 79 V HA -0.282 3.847 4.120 0.016 0.000 0.250 79 V C 2.417 178.331 176.094 -0.300 0.000 1.061 79 V CA 1.726 63.771 62.300 -0.425 0.000 1.064 79 V CB -0.461 30.957 31.823 -0.675 0.000 0.670 79 V HN 0.153 nan 8.190 nan 0.000 0.461 80 F N -0.127 119.735 119.950 -0.146 0.000 2.234 80 F HA -0.032 4.504 4.527 0.014 0.000 0.299 80 F C 2.104 177.853 175.800 -0.084 0.000 1.087 80 F CA 1.029 58.973 58.000 -0.093 0.000 1.340 80 F CB -0.998 37.997 39.000 -0.008 0.000 1.031 80 F HN 0.136 nan 8.300 nan 0.000 0.500 81 L N -0.411 120.835 121.223 0.038 0.000 2.012 81 L HA -0.157 4.192 4.340 0.016 0.000 0.210 81 L C 2.790 179.641 176.870 -0.031 0.000 1.073 81 L CA 1.538 56.368 54.840 -0.017 0.000 0.748 81 L CB -1.509 40.475 42.059 -0.125 0.000 0.891 81 L HN 0.257 nan 8.230 nan 0.000 0.431 82 G N -0.433 108.320 108.800 -0.079 0.000 2.421 82 G HA2 -0.242 3.727 3.960 0.016 0.000 0.216 82 G HA3 -0.242 3.727 3.960 0.016 0.000 0.216 82 G C 1.785 176.653 174.900 -0.053 0.000 1.171 82 G CA 0.853 45.900 45.100 -0.089 0.000 0.775 82 G HN 0.464 nan 8.290 nan 0.000 0.543 83 A N 0.082 122.885 122.820 -0.028 0.000 1.883 83 A HA 0.031 4.360 4.320 0.016 0.000 0.217 83 A C 2.619 180.214 177.584 0.019 0.000 1.186 83 A CA 2.018 54.056 52.037 0.002 0.000 0.624 83 A CB -0.750 18.279 19.000 0.048 0.000 0.822 83 A HN 0.284 nan 8.150 nan 0.000 0.444 84 V N -0.060 119.877 119.914 0.038 0.000 2.358 84 V HA -0.164 3.965 4.120 0.016 0.000 0.246 84 V C 2.817 178.921 176.094 0.018 0.000 1.047 84 V CA 1.857 64.176 62.300 0.032 0.000 1.035 84 V CB -1.487 30.364 31.823 0.046 0.000 0.658 84 V HN 0.628 nan 8.190 nan 0.000 0.452 85 G N -0.082 108.721 108.800 0.005 0.000 2.446 85 G HA2 -0.226 3.743 3.960 0.016 0.000 0.217 85 G HA3 -0.226 3.743 3.960 0.016 0.000 0.217 85 G C 1.680 176.574 174.900 -0.009 0.000 1.168 85 G CA 1.321 46.416 45.100 -0.007 0.000 0.771 85 G HN 0.383 nan 8.290 nan 0.000 0.551 86 V N 0.427 120.332 119.914 -0.016 0.000 2.343 86 V HA -0.175 3.954 4.120 0.016 0.000 0.247 86 V C 3.048 179.146 176.094 0.006 0.000 1.051 86 V CA 1.519 63.810 62.300 -0.015 0.000 1.036 86 V CB -0.408 31.403 31.823 -0.020 0.000 0.654 86 V HN 0.254 nan 8.190 nan 0.000 0.451 87 V N 0.001 119.923 119.914 0.012 0.000 2.287 87 V HA -0.295 3.835 4.120 0.016 0.000 0.248 87 V C 2.426 178.538 176.094 0.030 0.000 1.053 87 V CA 2.239 64.552 62.300 0.020 0.000 1.027 87 V CB -0.709 31.125 31.823 0.018 0.000 0.646 87 V HN 0.636 nan 8.190 nan 0.000 0.447 88 E N -0.262 119.956 120.200 0.029 0.000 2.077 88 E HA -0.196 4.163 4.350 0.016 0.000 0.193 88 E C 2.284 178.921 176.600 0.061 0.000 0.989 88 E CA 1.790 58.211 56.400 0.035 0.000 0.800 88 E CB -0.317 29.399 29.700 0.027 0.000 0.746 88 E HN 0.574 nan 8.360 nan 0.000 0.452 89 T N 1.571 116.166 114.554 0.069 0.000 2.777 89 T HA -0.088 4.271 4.350 0.016 0.000 0.266 89 T C 1.965 176.797 174.700 0.220 0.000 1.040 89 T CA 0.712 62.895 62.100 0.138 0.000 1.141 89 T CB -0.145 68.769 68.868 0.076 0.000 0.868 89 T HN 0.078 nan 8.240 nan 0.000 0.444 90 L N 0.460 121.753 121.223 0.116 0.000 2.083 90 L HA -0.107 4.243 4.340 0.016 0.000 0.209 90 L C 2.618 179.579 176.870 0.152 0.000 1.083 90 L CA 1.402 56.313 54.840 0.119 0.000 0.752 90 L CB -0.440 41.649 42.059 0.049 0.000 0.899 90 L HN 0.219 nan 8.230 nan 0.000 0.433 91 K N -0.025 120.435 120.400 0.100 0.000 2.148 91 K HA -0.173 4.156 4.320 0.016 0.000 0.204 91 K C 1.918 178.554 176.600 0.060 0.000 1.050 91 K CA 1.164 57.490 56.287 0.066 0.000 0.942 91 K CB -0.061 32.461 32.500 0.037 0.000 0.724 91 K HN 0.361 nan 8.250 nan 0.000 0.446 92 E N -0.298 119.949 120.200 0.079 0.000 2.204 92 E HA -0.130 4.230 4.350 0.016 0.000 0.194 92 E C 0.762 177.259 176.600 -0.172 0.000 0.989 92 E CA 0.841 57.219 56.400 -0.037 0.000 0.824 92 E CB 0.052 29.729 29.700 -0.037 0.000 0.756 92 E HN 0.237 nan 8.360 nan 0.000 0.477 93 F N 0.002 119.948 119.950 -0.007 0.000 2.641 93 F HA 0.183 4.717 4.527 0.011 0.000 0.302 93 F C 0.568 176.366 175.800 -0.004 0.000 1.098 93 F CA -0.097 57.900 58.000 -0.006 0.000 1.318 93 F CB 0.504 39.500 39.000 -0.006 0.000 1.035 93 F HN -0.280 nan 8.300 nan 0.000 0.551 94 S N 0.894 116.654 115.700 0.100 0.000 3.698 94 S HA -0.202 4.278 4.470 0.016 0.000 0.338 94 S C -0.006 174.636 174.600 0.070 0.000 1.089 94 S CA 0.257 58.494 58.200 0.061 0.000 0.991 94 S CB -2.059 61.162 63.200 0.036 0.000 0.909 94 S HN 0.323 nan 8.310 nan 0.000 0.485 95 I N 1.224 121.846 120.570 0.086 0.000 2.406 95 I HA 0.277 4.457 4.170 0.016 0.000 0.290 95 I C 0.108 176.249 176.117 0.039 0.000 0.999 95 I CA -0.643 60.693 61.300 0.060 0.000 1.124 95 I CB 1.539 39.577 38.000 0.062 0.000 1.289 95 I HN -0.053 nan 8.210 nan 0.000 0.441 96 D N 5.940 126.353 120.400 0.020 0.000 2.551 96 D HA 0.195 4.844 4.640 0.016 0.000 0.223 96 D C 0.381 176.676 176.300 -0.008 0.000 1.144 96 D CA 0.030 54.032 54.000 0.004 0.000 1.025 96 D CB 0.310 41.106 40.800 -0.006 0.000 1.085 96 D HN 0.636 nan 8.370 nan 0.000 0.506 97 G N 2.831 111.633 108.800 0.002 0.000 2.390 97 G HA2 0.428 4.398 3.960 0.016 0.000 0.270 97 G HA3 0.428 4.398 3.960 0.016 0.000 0.270 97 G C -0.064 174.827 174.900 -0.015 0.000 1.211 97 G CA -0.650 44.448 45.100 -0.003 0.000 0.842 97 G HN 0.323 nan 8.290 nan 0.000 0.519 98 R N 1.536 122.017 120.500 -0.031 0.000 2.686 98 R HA 0.321 4.670 4.340 0.016 0.000 0.283 98 R C -0.595 175.705 176.300 0.001 0.000 0.978 98 R CA -0.877 55.202 56.100 -0.036 0.000 0.897 98 R CB 2.479 32.717 30.300 -0.103 0.000 1.192 98 R HN 0.449 nan 8.270 nan 0.000 0.457 99 I N 2.369 122.960 120.570 0.034 0.000 2.416 99 I HA 0.131 4.310 4.170 0.016 0.000 0.288 99 I C 0.632 176.843 176.117 0.156 0.000 1.051 99 I CA 0.034 61.383 61.300 0.082 0.000 1.375 99 I CB 0.659 38.709 38.000 0.083 0.000 1.407 99 I HN 0.227 nan 8.210 nan 0.000 0.516 100 K N 7.541 128.051 120.400 0.184 0.000 2.292 100 K HA 0.124 4.453 4.320 0.016 0.000 0.270 100 K C -0.712 176.025 176.600 0.228 0.000 1.062 100 K CA -0.666 55.788 56.287 0.278 0.000 0.916 100 K CB 0.684 33.353 32.500 0.280 0.000 1.166 100 K HN 0.532 nan 8.250 nan 0.000 0.458 101 W N 7.983 129.336 121.300 0.088 0.000 2.409 101 W HA -0.035 4.633 4.660 0.014 0.000 0.338 101 W C -1.822 174.717 176.519 0.032 0.000 1.273 101 W CA -0.740 56.657 57.345 0.087 0.000 1.299 101 W CB 0.896 30.416 29.460 0.101 0.000 1.192 101 W HN 0.537 nan 8.180 nan 0.000 0.565 102 P HA 0.044 nan 4.420 nan 0.000 0.291 102 P C -0.024 176.995 177.300 -0.468 0.000 1.341 102 P CA 0.496 63.056 63.100 -0.900 0.000 0.999 102 P CB 0.639 31.187 31.700 -1.920 0.000 1.501 103 N N -0.911 117.576 118.700 -0.356 0.000 2.118 103 N HA 0.079 4.829 4.740 0.016 0.000 0.226 103 N C -0.624 174.804 175.510 -0.137 0.000 1.305 103 N CA -0.088 52.797 53.050 -0.275 0.000 0.890 103 N CB 0.205 38.475 38.487 -0.363 0.000 1.118 103 N HN -0.115 nan 8.380 nan 0.000 0.511 104 D N 0.700 121.069 120.400 -0.052 0.000 2.228 104 D HA 0.418 5.068 4.640 0.016 0.000 0.247 104 D C -0.501 175.832 176.300 0.054 0.000 0.995 104 D CA -0.436 53.577 54.000 0.021 0.000 0.903 104 D CB 3.163 44.009 40.800 0.076 0.000 1.205 104 D HN -0.205 nan 8.370 nan 0.000 0.459 105 V N 2.007 121.961 119.914 0.067 0.000 2.487 105 V HA 0.423 4.552 4.120 0.016 0.000 0.298 105 V C -0.025 176.112 176.094 0.072 0.000 1.028 105 V CA -0.694 61.641 62.300 0.058 0.000 0.860 105 V CB 1.576 33.423 31.823 0.039 0.000 0.991 105 V HN 0.305 nan 8.190 nan 0.000 0.427 106 L N 4.609 125.858 121.223 0.043 0.000 2.333 106 L HA 0.797 5.147 4.340 0.016 0.000 0.269 106 L C -0.896 175.958 176.870 -0.026 0.000 1.010 106 L CA -1.067 53.787 54.840 0.024 0.000 0.818 106 L CB 2.334 44.394 42.059 0.002 0.000 1.306 106 L HN 0.312 nan 8.230 nan 0.000 0.430 107 V N 1.604 121.511 119.914 -0.011 0.000 2.482 107 V HA 0.309 4.438 4.120 0.016 0.000 0.295 107 V C -0.282 175.807 176.094 -0.009 0.000 1.026 107 V CA -0.689 61.600 62.300 -0.019 0.000 0.856 107 V CB 1.315 33.144 31.823 0.009 0.000 1.001 107 V HN 0.881 nan 8.190 nan 0.000 0.424 108 N N 4.395 123.071 118.700 -0.040 0.000 2.740 108 N HA -0.254 4.496 4.740 0.016 0.000 0.248 108 N C 0.131 175.719 175.510 0.130 0.000 1.062 108 N CA 1.129 54.197 53.050 0.031 0.000 0.704 108 N CB -1.132 37.387 38.487 0.054 0.000 0.968 108 N HN 0.954 nan 8.380 nan 0.000 0.547 109 Y N -3.060 117.229 120.300 -0.018 0.000 4.753 109 Y HA -0.327 4.228 4.550 0.009 0.000 0.232 109 Y C 0.523 176.455 175.900 0.053 0.000 1.029 109 Y CA 1.433 59.529 58.100 -0.007 0.000 1.996 109 Y CB -1.401 37.025 38.460 -0.057 0.000 1.602 109 Y HN 0.256 nan 8.280 nan 0.000 0.621 110 K N 0.556 121.038 120.400 0.138 0.000 2.244 110 K HA 0.753 5.082 4.320 0.016 0.000 0.260 110 K C 0.155 176.817 176.600 0.102 0.000 0.951 110 K CA -0.121 56.237 56.287 0.118 0.000 0.826 110 K CB 1.522 34.073 32.500 0.084 0.000 1.108 110 K HN 0.161 nan 8.250 nan 0.000 0.433 111 A N 3.515 126.406 122.820 0.118 0.000 2.522 111 A HA 0.066 4.396 4.320 0.016 0.000 0.256 111 A C 0.612 178.273 177.584 0.128 0.000 1.086 111 A CA 0.199 52.318 52.037 0.136 0.000 0.763 111 A CB -0.274 18.821 19.000 0.159 0.000 1.024 111 A HN 0.992 nan 8.150 nan 0.000 0.502 112 I N 0.982 121.637 120.570 0.141 0.000 4.323 112 I HA 0.471 4.651 4.170 0.016 0.000 0.328 112 I C 0.611 176.855 176.117 0.212 0.000 1.310 112 I CA 0.776 62.156 61.300 0.135 0.000 1.186 112 I CB 0.266 38.311 38.000 0.075 0.000 1.130 112 I HN 0.729 nan 8.210 nan 0.000 0.411 113 A N -0.367 122.600 122.820 0.245 0.000 2.612 113 A HA 0.749 5.079 4.320 0.016 0.000 0.293 113 A C -0.823 176.858 177.584 0.162 0.000 1.075 113 A CA -0.117 52.069 52.037 0.249 0.000 0.680 113 A CB 1.054 20.113 19.000 0.098 0.000 1.279 113 A HN 0.163 nan 8.150 nan 0.000 0.411 114 G N -0.540 108.196 108.800 -0.106 0.000 2.667 114 G HA2 0.644 4.613 3.960 0.016 0.000 0.298 114 G HA3 0.644 4.613 3.960 0.016 0.000 0.298 114 G C -1.579 173.076 174.900 -0.408 0.000 1.377 114 G CA -0.515 44.393 45.100 -0.321 0.000 0.964 114 G HN 1.190 nan 8.290 nan 0.000 0.493 115 V N 1.266 120.993 119.914 -0.312 0.000 2.604 115 V HA 0.703 4.832 4.120 0.016 0.000 0.305 115 V C -0.821 175.093 176.094 -0.301 0.000 1.043 115 V CA -0.815 61.310 62.300 -0.291 0.000 0.888 115 V CB 1.666 33.350 31.823 -0.231 0.000 0.995 115 V HN 0.709 nan 8.190 nan 0.000 0.429 116 L N 5.664 126.718 121.223 -0.281 0.000 2.441 116 L HA 0.716 5.065 4.340 0.016 0.000 0.270 116 L C -0.893 175.869 176.870 -0.181 0.000 0.973 116 L CA -0.056 54.646 54.840 -0.229 0.000 0.842 116 L CB 1.928 43.843 42.059 -0.239 0.000 1.239 116 L HN 0.440 nan 8.230 nan 0.000 0.406 117 V N 4.486 124.310 119.914 -0.151 0.000 2.435 117 V HA 0.602 4.732 4.120 0.016 0.000 0.290 117 V C -0.369 175.687 176.094 -0.063 0.000 1.030 117 V CA -0.542 61.689 62.300 -0.115 0.000 0.881 117 V CB 1.677 33.427 31.823 -0.122 0.000 0.983 117 V HN 0.775 nan 8.190 nan 0.000 0.445 118 E N 2.550 122.720 120.200 -0.051 0.000 2.292 118 E HA 0.765 5.124 4.350 0.016 0.000 0.272 118 E C -0.269 176.315 176.600 -0.026 0.000 0.881 118 E CA -0.768 55.617 56.400 -0.026 0.000 0.754 118 E CB 2.540 32.234 29.700 -0.009 0.000 1.201 118 E HN 0.956 nan 8.360 nan 0.000 0.425 119 G N 2.020 110.809 108.800 -0.018 0.000 2.093 119 G HA2 0.096 4.065 3.960 0.016 0.000 0.298 119 G HA3 0.096 4.065 3.960 0.016 0.000 0.298 119 G C -1.093 173.804 174.900 -0.006 0.000 1.713 119 G CA -0.921 44.171 45.100 -0.013 0.000 0.907 119 G HN 0.302 nan 8.290 nan 0.000 0.702 120 K N 1.895 122.292 120.400 -0.005 0.000 2.535 120 K HA 0.535 4.864 4.320 0.016 0.000 0.242 120 K C 1.255 177.860 176.600 0.009 0.000 1.210 120 K CA 0.797 57.083 56.287 -0.001 0.000 1.178 120 K CB 0.584 33.080 32.500 -0.006 0.000 1.778 120 K HN 1.486 nan 8.250 nan 0.000 0.372 121 G N 1.556 110.367 108.800 0.017 0.000 3.035 121 G HA2 -0.342 3.627 3.960 0.016 0.000 0.242 121 G HA3 -0.342 3.627 3.960 0.016 0.000 0.242 121 G C 0.604 175.528 174.900 0.041 0.000 1.524 121 G CA 0.095 45.212 45.100 0.029 0.000 1.038 121 G HN 0.566 nan 8.290 nan 0.000 0.561 122 D N 1.706 122.130 120.400 0.040 0.000 2.350 122 D HA -0.028 4.622 4.640 0.016 0.000 0.216 122 D C 0.823 177.152 176.300 0.049 0.000 0.968 122 D CA 1.491 55.521 54.000 0.050 0.000 0.894 122 D CB 0.099 40.926 40.800 0.046 0.000 0.909 122 D HN 0.540 nan 8.370 nan 0.000 0.520 123 K N 0.674 121.095 120.400 0.035 0.000 2.535 123 K HA 0.334 4.664 4.320 0.016 0.000 0.253 123 K C -1.248 175.358 176.600 0.009 0.000 0.953 123 K CA -0.729 55.572 56.287 0.024 0.000 0.863 123 K CB 1.273 33.782 32.500 0.015 0.000 1.111 123 K HN -0.118 nan 8.250 nan 0.000 0.431 124 I N 4.529 125.101 120.570 0.003 0.000 2.433 124 I HA 0.325 4.505 4.170 0.016 0.000 0.292 124 I C -0.445 175.645 176.117 -0.045 0.000 1.001 124 I CA -1.016 60.273 61.300 -0.018 0.000 1.119 124 I CB 1.821 39.815 38.000 -0.011 0.000 1.289 124 I HN 0.313 nan 8.210 nan 0.000 0.438 125 V N 6.657 126.540 119.914 -0.052 0.000 2.384 125 V HA 0.324 4.453 4.120 0.016 0.000 0.287 125 V C -0.278 175.761 176.094 -0.091 0.000 1.020 125 V CA -0.721 61.541 62.300 -0.063 0.000 0.850 125 V CB 2.080 33.876 31.823 -0.045 0.000 0.987 125 V HN 0.451 nan 8.190 nan 0.000 0.436 126 L N 5.805 126.960 121.223 -0.113 0.000 2.264 126 L HA 0.817 5.167 4.340 0.016 0.000 0.287 126 L C 0.482 177.274 176.870 -0.131 0.000 1.039 126 L CA 0.246 55.002 54.840 -0.141 0.000 0.829 126 L CB 0.757 42.713 42.059 -0.172 0.000 1.211 126 L HN 0.646 nan 8.230 nan 0.000 0.427 127 G N 6.095 114.803 108.800 -0.152 0.000 2.356 127 G HA2 0.662 4.631 3.960 0.016 0.000 0.322 127 G HA3 0.662 4.631 3.960 0.016 0.000 0.322 127 G C -0.928 173.851 174.900 -0.201 0.000 1.125 127 G CA -0.454 44.545 45.100 -0.167 0.000 0.885 127 G HN 0.593 nan 8.290 nan 0.000 0.467 128 I N 1.163 121.635 120.570 -0.164 0.000 2.569 128 I HA 0.509 4.688 4.170 0.016 0.000 0.290 128 I C 0.208 176.263 176.117 -0.103 0.000 1.088 128 I CA -0.880 60.321 61.300 -0.165 0.000 1.047 128 I CB 2.730 40.665 38.000 -0.108 0.000 1.237 128 I HN 0.601 nan 8.210 nan 0.000 0.421 129 G N 6.047 114.746 108.800 -0.167 0.000 2.557 129 G HA2 0.658 4.628 3.960 0.016 0.000 0.310 129 G HA3 0.658 4.628 3.960 0.016 0.000 0.310 129 G C -1.755 173.329 174.900 0.308 0.000 1.328 129 G CA -0.358 44.853 45.100 0.185 0.000 0.945 129 G HN 0.363 nan 8.290 nan 0.000 0.494 130 L N 2.242 123.598 121.223 0.221 0.000 2.376 130 L HA 0.517 4.867 4.340 0.016 0.000 0.275 130 L C -0.933 175.914 176.870 -0.037 0.000 0.987 130 L CA -1.094 53.802 54.840 0.094 0.000 0.828 130 L CB 1.724 43.753 42.059 -0.051 0.000 1.249 130 L HN 0.367 nan 8.230 nan 0.000 0.409 131 N N 4.097 122.870 118.700 0.122 0.000 2.420 131 N HA 0.239 4.989 4.740 0.016 0.000 0.262 131 N C 0.368 175.843 175.510 -0.059 0.000 1.144 131 N CA -0.048 53.038 53.050 0.062 0.000 0.952 131 N CB 1.974 40.542 38.487 0.136 0.000 1.081 131 N HN 0.551 nan 8.380 nan 0.000 0.480 132 V N 2.391 122.224 119.914 -0.135 0.000 3.204 132 V HA 0.098 4.228 4.120 0.016 0.000 0.218 132 V C 1.227 177.270 176.094 -0.086 0.000 1.159 132 V CA 0.448 62.662 62.300 -0.143 0.000 1.282 132 V CB 0.008 31.706 31.823 -0.209 0.000 1.225 132 V HN 0.576 nan 8.190 nan 0.000 0.509 133 N N 1.032 119.686 118.700 -0.075 0.000 2.184 133 N HA 0.096 4.846 4.740 0.016 0.000 0.206 133 N C 0.152 175.663 175.510 0.001 0.000 1.151 133 N CA -0.075 52.955 53.050 -0.033 0.000 0.878 133 N CB 0.108 38.574 38.487 -0.034 0.000 1.014 133 N HN 0.649 nan 8.380 nan 0.000 0.512 134 N N 1.211 119.925 118.700 0.024 0.000 2.424 134 N HA 0.054 4.804 4.740 0.016 0.000 0.257 134 N C -0.105 175.443 175.510 0.064 0.000 1.250 134 N CA 0.094 53.193 53.050 0.081 0.000 0.946 134 N CB 1.370 39.979 38.487 0.203 0.000 1.175 134 N HN -0.127 nan 8.380 nan 0.000 0.477 135 K N -0.145 120.288 120.400 0.054 0.000 2.258 135 K HA 0.257 4.586 4.320 0.016 0.000 0.264 135 K C 0.060 176.671 176.600 0.018 0.000 1.007 135 K CA -0.574 55.727 56.287 0.025 0.000 0.941 135 K CB 0.913 33.419 32.500 0.011 0.000 0.966 135 K HN 0.567 nan 8.250 nan 0.000 0.480 136 V N -0.670 119.240 119.914 -0.007 0.000 3.074 136 V HA 0.556 4.686 4.120 0.016 0.000 0.314 136 V C -2.611 173.443 176.094 -0.066 0.000 1.117 136 V CA -2.419 59.857 62.300 -0.040 0.000 1.014 136 V CB 1.136 32.946 31.823 -0.022 0.000 1.057 136 V HN 0.594 nan 8.190 nan 0.000 0.438 137 P HA 0.294 nan 4.420 nan 0.000 0.272 137 P C -0.735 176.529 177.300 -0.059 0.000 1.223 137 P CA -0.201 62.838 63.100 -0.100 0.000 0.784 137 P CB 0.114 31.725 31.700 -0.150 0.000 0.923 138 N N 1.128 119.802 118.700 -0.042 0.000 2.412 138 N HA 0.245 4.994 4.740 0.016 0.000 0.258 138 N C 1.508 177.010 175.510 -0.013 0.000 1.236 138 N CA 1.578 54.615 53.050 -0.022 0.000 0.882 138 N CB -0.076 38.401 38.487 -0.017 0.000 1.066 138 N HN 0.758 nan 8.380 nan 0.000 0.465 139 G N -0.542 108.259 108.800 0.002 0.000 2.234 139 G HA2 -0.182 3.788 3.960 0.016 0.000 0.235 139 G HA3 -0.182 3.788 3.960 0.016 0.000 0.235 139 G C 0.255 175.171 174.900 0.028 0.000 0.997 139 G CA 0.255 45.366 45.100 0.019 0.000 0.623 139 G HN 0.912 nan 8.290 nan 0.000 0.514 140 A N -0.903 121.921 122.820 0.007 0.000 2.247 140 A HA 0.950 5.279 4.320 0.016 0.000 0.313 140 A C 0.367 177.964 177.584 0.021 0.000 1.109 140 A CA 0.899 52.944 52.037 0.013 0.000 0.890 140 A CB 1.452 20.432 19.000 -0.033 0.000 1.239 140 A HN 1.290 nan 8.150 nan 0.000 0.506 141 T N -1.529 113.045 114.554 0.034 0.000 2.778 141 T HA 0.685 5.045 4.350 0.016 0.000 0.293 141 T C -0.679 174.043 174.700 0.036 0.000 1.144 141 T CA 0.223 62.342 62.100 0.032 0.000 1.010 141 T CB 1.242 70.132 68.868 0.036 0.000 1.325 141 T HN 1.824 nan 8.240 nan 0.000 0.515 142 S N 0.540 116.255 115.700 0.025 0.000 2.651 142 S HA 0.472 4.951 4.470 0.016 0.000 0.279 142 S C 1.200 175.798 174.600 -0.004 0.000 1.148 142 S CA -0.880 57.328 58.200 0.015 0.000 0.837 142 S CB 1.203 64.410 63.200 0.011 0.000 1.138 142 S HN 0.730 nan 8.310 nan 0.000 0.478 143 M N 1.189 120.770 119.600 -0.033 0.000 2.108 143 M HA -0.082 4.407 4.480 0.016 0.000 0.261 143 M C 2.303 178.588 176.300 -0.025 0.000 1.066 143 M CA 1.865 57.136 55.300 -0.048 0.000 1.107 143 M CB -0.583 31.940 32.600 -0.127 0.000 1.356 143 M HN 0.884 nan 8.290 nan 0.000 0.406 144 K N 1.143 121.526 120.400 -0.027 0.000 2.057 144 K HA -0.146 4.184 4.320 0.016 0.000 0.207 144 K C 1.775 178.376 176.600 0.003 0.000 1.049 144 K CA 1.284 57.564 56.287 -0.011 0.000 0.931 144 K CB -0.130 32.362 32.500 -0.013 0.000 0.714 144 K HN 0.300 nan 8.250 nan 0.000 0.440 145 L N 0.844 122.069 121.223 0.004 0.000 2.093 145 L HA -0.150 4.200 4.340 0.016 0.000 0.208 145 L C 2.456 179.335 176.870 0.014 0.000 1.085 145 L CA 0.935 55.781 54.840 0.010 0.000 0.755 145 L CB -0.289 41.777 42.059 0.012 0.000 0.904 145 L HN 0.224 nan 8.230 nan 0.000 0.435 146 E N 0.135 120.344 120.200 0.014 0.000 2.072 146 E HA -0.102 4.257 4.350 0.016 0.000 0.190 146 E C 2.262 178.876 176.600 0.024 0.000 0.982 146 E CA 1.085 57.496 56.400 0.019 0.000 0.803 146 E CB -0.089 29.624 29.700 0.020 0.000 0.755 146 E HN 0.479 nan 8.360 nan 0.000 0.453 147 L N -0.588 120.651 121.223 0.026 0.000 2.446 147 L HA 0.130 4.480 4.340 0.016 0.000 0.219 147 L C 1.440 178.326 176.870 0.027 0.000 1.116 147 L CA 0.535 55.396 54.840 0.035 0.000 0.844 147 L CB -0.110 41.980 42.059 0.051 0.000 0.970 147 L HN 0.256 nan 8.230 nan 0.000 0.457 148 G N 0.512 109.324 108.800 0.020 0.000 2.159 148 G HA2 -0.282 3.688 3.960 0.016 0.000 0.256 148 G HA3 -0.282 3.688 3.960 0.016 0.000 0.256 148 G C 0.217 175.127 174.900 0.016 0.000 0.977 148 G CA 0.361 45.471 45.100 0.017 0.000 0.652 148 G HN 0.512 nan 8.290 nan 0.000 0.531 149 S N -1.510 114.202 115.700 0.018 0.000 2.565 149 S HA 0.656 5.136 4.470 0.016 0.000 0.269 149 S C -0.725 173.884 174.600 0.015 0.000 1.153 149 S CA -0.424 57.787 58.200 0.018 0.000 0.835 149 S CB 2.298 65.512 63.200 0.023 0.000 1.122 149 S HN 0.492 nan 8.310 nan 0.000 0.462 150 E N 0.159 120.366 120.200 0.011 0.000 2.437 150 E HA 0.430 4.790 4.350 0.016 0.000 0.263 150 E C -1.041 175.565 176.600 0.010 0.000 1.030 150 E CA 0.056 56.459 56.400 0.003 0.000 0.934 150 E CB 0.614 30.316 29.700 0.003 0.000 0.943 150 E HN 0.544 nan 8.360 nan 0.000 0.444 151 V N 5.949 125.857 119.914 -0.010 0.000 2.540 151 V HA 0.327 4.456 4.120 0.016 0.000 0.302 151 V C -2.283 173.801 176.094 -0.017 0.000 1.035 151 V CA -2.061 60.236 62.300 -0.005 0.000 0.873 151 V CB 1.768 33.539 31.823 -0.088 0.000 0.992 151 V HN 0.731 nan 8.190 nan 0.000 0.428 152 P HA 0.046 nan 4.420 nan 0.000 0.259 152 P C 0.661 177.957 177.300 -0.007 0.000 1.211 152 P CA -0.039 63.075 63.100 0.024 0.000 0.810 152 P CB 0.539 32.280 31.700 0.069 0.000 0.815 153 L N 5.304 126.502 121.223 -0.042 0.000 2.042 153 L HA -0.180 4.169 4.340 0.016 0.000 0.210 153 L C 1.784 178.648 176.870 -0.011 0.000 1.076 153 L CA 1.847 56.647 54.840 -0.067 0.000 0.749 153 L CB -1.236 40.770 42.059 -0.088 0.000 0.893 153 L HN 0.277 nan 8.230 nan 0.000 0.432 154 L N -1.325 119.897 121.223 -0.000 0.000 2.131 154 L HA -0.154 4.196 4.340 0.016 0.000 0.210 154 L C 2.439 179.394 176.870 0.141 0.000 1.092 154 L CA 1.874 56.740 54.840 0.043 0.000 0.759 154 L CB -0.813 41.239 42.059 -0.012 0.000 0.903 154 L HN 0.271 nan 8.230 nan 0.000 0.435 155 S N -1.240 114.535 115.700 0.126 0.000 2.368 155 S HA -0.125 4.354 4.470 0.016 0.000 0.224 155 S C 1.949 176.696 174.600 0.245 0.000 1.029 155 S CA 1.321 59.643 58.200 0.203 0.000 0.988 155 S CB -0.346 63.014 63.200 0.268 0.000 0.838 155 S HN 0.355 nan 8.310 nan 0.000 0.462 156 V N 1.360 121.331 119.914 0.095 0.000 2.358 156 V HA -0.149 3.981 4.120 0.016 0.000 0.246 156 V C 1.851 177.969 176.094 0.040 0.000 1.047 156 V CA 1.706 63.968 62.300 -0.063 0.000 1.035 156 V CB -0.777 30.873 31.823 -0.287 0.000 0.658 156 V HN 0.493 nan 8.190 nan 0.000 0.452 157 F N 1.470 121.390 119.950 -0.050 0.000 2.069 157 F HA -0.202 4.333 4.527 0.014 0.000 0.298 157 F C 2.631 178.432 175.800 0.002 0.000 1.113 157 F CA 1.884 59.863 58.000 -0.035 0.000 1.214 157 F CB -0.293 38.684 39.000 -0.038 0.000 0.978 157 F HN -0.056 nan 8.300 nan 0.000 0.474 158 R N -0.322 120.261 120.500 0.138 0.000 2.091 158 R HA -0.189 4.160 4.340 0.016 0.000 0.238 158 R C 2.627 178.904 176.300 -0.038 0.000 1.136 158 R CA 1.571 57.693 56.100 0.036 0.000 0.959 158 R CB -0.968 29.409 30.300 0.127 0.000 0.856 158 R HN 0.369 nan 8.270 nan 0.000 0.437 159 S N 0.881 116.606 115.700 0.042 0.000 2.348 159 S HA -0.143 4.337 4.470 0.016 0.000 0.221 159 S C 1.915 176.504 174.600 -0.019 0.000 1.033 159 S CA 1.185 59.421 58.200 0.060 0.000 1.010 159 S CB -0.195 63.143 63.200 0.229 0.000 0.891 159 S HN 0.236 nan 8.310 nan 0.000 0.442 160 L N 1.631 122.810 121.223 -0.074 0.000 2.046 160 L HA 0.022 4.371 4.340 0.016 0.000 0.208 160 L C 2.083 178.843 176.870 -0.183 0.000 1.077 160 L CA 1.621 56.389 54.840 -0.120 0.000 0.747 160 L CB -0.674 41.297 42.059 -0.148 0.000 0.896 160 L HN 0.329 nan 8.230 nan 0.000 0.432 161 I N -0.669 119.706 120.570 -0.325 0.000 2.226 161 I HA -0.254 3.925 4.170 0.016 0.000 0.245 161 I C 2.371 178.395 176.117 -0.155 0.000 1.100 161 I CA 1.580 62.687 61.300 -0.322 0.000 1.374 161 I CB -1.908 35.774 38.000 -0.530 0.000 1.057 161 I HN 0.284 nan 8.210 nan 0.000 0.413 162 T N 1.496 115.983 114.554 -0.113 0.000 2.708 162 T HA -0.129 4.231 4.350 0.016 0.000 0.266 162 T C 1.764 176.450 174.700 -0.024 0.000 1.037 162 T CA 1.363 63.435 62.100 -0.046 0.000 1.146 162 T CB -0.199 68.654 68.868 -0.025 0.000 0.865 162 T HN 0.288 nan 8.240 nan 0.000 0.435 163 N N 1.253 119.937 118.700 -0.027 0.000 2.084 163 N HA 0.033 4.783 4.740 0.016 0.000 0.190 163 N C 1.941 177.452 175.510 0.002 0.000 1.030 163 N CA 0.873 53.920 53.050 -0.006 0.000 0.849 163 N CB -0.512 37.973 38.487 -0.004 0.000 1.012 163 N HN 0.340 nan 8.380 nan 0.000 0.423 164 L N 0.695 121.903 121.223 -0.025 0.000 2.046 164 L HA -0.179 4.170 4.340 0.016 0.000 0.208 164 L C 2.102 178.998 176.870 0.044 0.000 1.077 164 L CA 1.199 56.030 54.840 -0.014 0.000 0.747 164 L CB -0.465 41.550 42.059 -0.073 0.000 0.896 164 L HN 0.091 nan 8.230 nan 0.000 0.432 165 D N 0.096 120.515 120.400 0.031 0.000 2.104 165 D HA -0.242 4.408 4.640 0.016 0.000 0.194 165 D C 2.329 178.699 176.300 0.116 0.000 0.994 165 D CA 1.318 55.370 54.000 0.087 0.000 0.830 165 D CB 0.062 40.890 40.800 0.046 0.000 0.959 165 D HN 0.047 nan 8.370 nan 0.000 0.452 166 R N -0.328 120.215 120.500 0.071 0.000 2.073 166 R HA -0.076 4.274 4.340 0.016 0.000 0.234 166 R C 2.491 178.843 176.300 0.087 0.000 1.134 166 R CA 1.061 57.200 56.100 0.065 0.000 0.952 166 R CB -0.337 29.987 30.300 0.041 0.000 0.850 166 R HN 0.257 nan 8.270 nan 0.000 0.433 167 L N -0.371 120.910 121.223 0.097 0.000 2.046 167 L HA -0.212 4.138 4.340 0.016 0.000 0.208 167 L C 2.436 179.424 176.870 0.196 0.000 1.077 167 L CA 1.257 56.170 54.840 0.122 0.000 0.747 167 L CB -0.609 41.506 42.059 0.094 0.000 0.896 167 L HN 0.269 nan 8.230 nan 0.000 0.432 168 Y N 0.574 120.911 120.300 0.061 0.000 2.200 168 Y HA -0.208 4.351 4.550 0.016 0.000 0.290 168 Y C 2.302 178.296 175.900 0.157 0.000 1.137 168 Y CA 1.288 59.447 58.100 0.098 0.000 1.163 168 Y CB -0.286 38.199 38.460 0.041 0.000 0.988 168 Y HN -0.010 nan 8.280 nan 0.000 0.518 169 L N 0.077 121.320 121.223 0.033 0.000 2.042 169 L HA -0.275 4.074 4.340 0.016 0.000 0.210 169 L C 2.278 179.119 176.870 -0.049 0.000 1.076 169 L CA 1.938 56.740 54.840 -0.063 0.000 0.749 169 L CB -0.678 41.387 42.059 0.010 0.000 0.893 169 L HN 0.244 nan 8.230 nan 0.000 0.432 170 N N -0.041 118.674 118.700 0.025 0.000 2.270 170 N HA -0.222 4.528 4.740 0.016 0.000 0.181 170 N C 1.718 177.253 175.510 0.042 0.000 1.016 170 N CA 0.905 53.973 53.050 0.029 0.000 0.870 170 N CB -0.166 38.354 38.487 0.055 0.000 0.979 170 N HN 0.278 nan 8.380 nan 0.000 0.431 171 F N 0.732 120.647 119.950 -0.059 0.000 2.171 171 F HA -0.005 4.532 4.527 0.017 0.000 0.300 171 F C 1.733 177.476 175.800 -0.095 0.000 1.090 171 F CA 1.047 59.025 58.000 -0.038 0.000 1.293 171 F CB -0.084 38.930 39.000 0.024 0.000 1.013 171 F HN 0.030 nan 8.300 nan 0.000 0.486 172 L N 0.145 121.256 121.223 -0.186 0.000 2.131 172 L HA -0.215 4.135 4.340 0.016 0.000 0.210 172 L C 2.300 179.033 176.870 -0.228 0.000 1.092 172 L CA 1.519 56.199 54.840 -0.268 0.000 0.759 172 L CB -0.581 41.318 42.059 -0.268 0.000 0.903 172 L HN 0.132 nan 8.230 nan 0.000 0.435 173 K N -0.317 119.984 120.400 -0.165 0.000 2.098 173 K HA 0.049 4.378 4.320 0.016 0.000 0.203 173 K C 0.202 176.721 176.600 -0.135 0.000 1.051 173 K CA 0.679 56.893 56.287 -0.121 0.000 0.957 173 K CB 0.203 32.659 32.500 -0.074 0.000 0.738 173 K HN 0.259 nan 8.250 nan 0.000 0.447 174 N N 0.768 119.380 118.700 -0.147 0.000 2.727 174 N HA 0.147 4.897 4.740 0.016 0.000 0.252 174 N C -2.603 172.801 175.510 -0.177 0.000 1.283 174 N CA -1.033 51.937 53.050 -0.132 0.000 0.782 174 N CB 1.681 40.131 38.487 -0.062 0.000 1.199 174 N HN -0.164 nan 8.380 nan 0.000 0.520 175 P HA -0.130 nan 4.420 nan 0.000 0.220 175 P C 1.548 178.835 177.300 -0.022 0.000 1.144 175 P CA 1.025 63.825 63.100 -0.498 0.000 0.800 175 P CB 0.469 31.825 31.700 -0.574 0.000 0.772 176 M N -1.086 118.501 119.600 -0.022 0.000 2.349 176 M HA -0.098 4.392 4.480 0.016 0.000 0.266 176 M C 0.977 177.312 176.300 0.058 0.000 1.076 176 M CA 1.584 56.903 55.300 0.030 0.000 1.126 176 M CB -0.282 32.302 32.600 -0.027 0.000 1.392 176 M HN -0.240 nan 8.290 nan 0.000 0.440 177 D N 0.948 121.379 120.400 0.051 0.000 2.158 177 D HA -0.203 4.447 4.640 0.016 0.000 0.197 177 D C 1.661 178.015 176.300 0.089 0.000 0.995 177 D CA 1.198 55.233 54.000 0.057 0.000 0.846 177 D CB -0.356 40.474 40.800 0.050 0.000 0.941 177 D HN 0.392 nan 8.370 nan 0.000 0.456 178 I N 0.430 121.098 120.570 0.163 0.000 2.361 178 I HA -0.193 3.987 4.170 0.016 0.000 0.251 178 I C 1.884 178.049 176.117 0.080 0.000 1.133 178 I CA 0.943 62.342 61.300 0.165 0.000 1.413 178 I CB -0.105 38.065 38.000 0.283 0.000 1.073 178 I HN 0.018 nan 8.210 nan 0.000 0.424 179 L N 0.110 121.374 121.223 0.068 0.000 2.079 179 L HA -0.242 4.107 4.340 0.016 0.000 0.210 179 L C 2.298 179.140 176.870 -0.048 0.000 1.081 179 L CA 1.328 56.150 54.840 -0.029 0.000 0.752 179 L CB -1.026 41.039 42.059 0.011 0.000 0.896 179 L HN 0.344 nan 8.230 nan 0.000 0.433 180 N N 0.247 118.940 118.700 -0.011 0.000 2.120 180 N HA -0.133 4.616 4.740 0.016 0.000 0.188 180 N C 1.980 177.481 175.510 -0.015 0.000 1.024 180 N CA 1.224 54.266 53.050 -0.013 0.000 0.852 180 N CB -0.105 38.382 38.487 0.000 0.000 1.003 180 N HN 0.337 nan 8.380 nan 0.000 0.424 181 L N 0.608 121.828 121.223 -0.005 0.000 2.093 181 L HA -0.100 4.249 4.340 0.016 0.000 0.208 181 L C 2.319 179.175 176.870 -0.023 0.000 1.085 181 L CA 0.638 55.477 54.840 -0.002 0.000 0.755 181 L CB -0.358 41.714 42.059 0.021 0.000 0.904 181 L HN -0.043 nan 8.230 nan 0.000 0.435 182 V N -0.121 119.754 119.914 -0.065 0.000 2.295 182 V HA -0.300 3.830 4.120 0.016 0.000 0.246 182 V C 2.661 178.710 176.094 -0.076 0.000 1.049 182 V CA 1.880 64.110 62.300 -0.117 0.000 1.024 182 V CB -0.626 30.985 31.823 -0.354 0.000 0.648 182 V HN 0.448 nan 8.190 nan 0.000 0.447 183 R N 0.155 120.610 120.500 -0.075 0.000 2.103 183 R HA -0.212 4.138 4.340 0.016 0.000 0.242 183 R C 1.945 178.235 176.300 -0.017 0.000 1.142 183 R CA 2.158 58.235 56.100 -0.039 0.000 0.960 183 R CB -0.370 29.909 30.300 -0.035 0.000 0.858 183 R HN 0.527 nan 8.270 nan 0.000 0.439 184 D N -0.196 120.195 120.400 -0.016 0.000 2.312 184 D HA -0.077 4.573 4.640 0.016 0.000 0.211 184 D C 0.420 176.717 176.300 -0.004 0.000 0.964 184 D CA 0.849 54.845 54.000 -0.007 0.000 0.877 184 D CB -0.008 40.789 40.800 -0.005 0.000 0.924 184 D HN 0.319 nan 8.370 nan 0.000 0.515 185 N N -0.086 118.611 118.700 -0.004 0.000 2.291 185 N HA 0.100 4.849 4.740 0.016 0.000 0.244 185 N C -0.113 175.403 175.510 0.010 0.000 1.216 185 N CA -0.079 52.972 53.050 0.001 0.000 0.879 185 N CB 1.463 39.953 38.487 0.004 0.000 1.167 185 N HN 0.217 nan 8.380 nan 0.000 0.515 186 M N 0.893 120.504 119.600 0.019 0.000 2.537 186 M HA 0.448 4.937 4.480 0.016 0.000 0.324 186 M C -0.831 175.502 176.300 0.055 0.000 1.187 186 M CA -0.585 54.747 55.300 0.054 0.000 0.993 186 M CB 1.792 34.435 32.600 0.071 0.000 1.666 186 M HN -0.153 nan 8.290 nan 0.000 0.461 187 I N 5.260 125.887 120.570 0.094 0.000 2.436 187 I HA 0.193 4.373 4.170 0.016 0.000 0.289 187 I C -0.734 175.471 176.117 0.147 0.000 1.083 187 I CA 0.038 61.386 61.300 0.080 0.000 1.372 187 I CB 0.034 38.080 38.000 0.077 0.000 1.408 187 I HN 0.598 nan 8.210 nan 0.000 0.516 188 L N 4.389 125.669 121.223 0.094 0.000 2.341 188 L HA 0.624 4.973 4.340 0.016 0.000 0.254 188 L C 0.922 177.840 176.870 0.080 0.000 1.040 188 L CA -0.773 54.124 54.840 0.094 0.000 0.837 188 L CB 1.873 43.965 42.059 0.055 0.000 1.425 188 L HN 0.738 nan 8.230 nan 0.000 0.414 189 G N 0.697 109.542 108.800 0.075 0.000 2.143 189 G HA2 -0.179 3.791 3.960 0.016 0.000 0.248 189 G HA3 -0.179 3.791 3.960 0.016 0.000 0.248 189 G C -0.283 174.663 174.900 0.076 0.000 0.991 189 G CA 0.273 45.410 45.100 0.061 0.000 0.689 189 G HN 0.721 nan 8.290 nan 0.000 0.522 190 V N -3.909 116.075 119.914 0.116 0.000 3.046 190 V HA 0.852 4.982 4.120 0.016 0.000 0.316 190 V C 0.495 176.687 176.094 0.163 0.000 1.104 190 V CA -1.928 60.450 62.300 0.131 0.000 1.006 190 V CB 1.527 33.438 31.823 0.147 0.000 1.058 190 V HN 0.298 nan 8.190 nan 0.000 0.440 191 R N 0.982 121.569 120.500 0.144 0.000 2.438 191 R HA 0.672 5.021 4.340 0.016 0.000 0.287 191 R C -0.497 175.916 176.300 0.189 0.000 1.077 191 R CA -0.099 56.081 56.100 0.134 0.000 1.034 191 R CB 1.455 31.809 30.300 0.091 0.000 0.993 191 R HN 0.954 nan 8.270 nan 0.000 0.459 192 V N -0.942 119.046 119.914 0.123 0.000 3.078 192 V HA 0.555 4.685 4.120 0.016 0.000 0.311 192 V C -0.928 175.153 176.094 -0.022 0.000 1.138 192 V CA -1.142 61.190 62.300 0.053 0.000 1.007 192 V CB 2.173 33.991 31.823 -0.009 0.000 1.045 192 V HN 0.714 nan 8.190 nan 0.000 0.432 193 K N 2.845 123.193 120.400 -0.086 0.000 2.274 193 K HA 0.640 4.970 4.320 0.016 0.000 0.262 193 K C -1.386 175.073 176.600 -0.234 0.000 0.961 193 K CA -0.815 55.389 56.287 -0.137 0.000 0.833 193 K CB 1.564 34.013 32.500 -0.085 0.000 1.102 193 K HN 0.725 nan 8.250 nan 0.000 0.436 194 I N 6.147 126.451 120.570 -0.443 0.000 2.321 194 I HA 0.262 4.442 4.170 0.016 0.000 0.291 194 I C -0.274 175.608 176.117 -0.392 0.000 0.998 194 I CA -0.703 60.295 61.300 -0.502 0.000 1.227 194 I CB 1.032 38.452 38.000 -0.967 0.000 1.368 194 I HN 0.577 nan 8.210 nan 0.000 0.466 195 L N 6.322 127.431 121.223 -0.189 0.000 2.298 195 L HA 0.736 5.085 4.340 0.016 0.000 0.284 195 L C 0.607 177.449 176.870 -0.047 0.000 1.013 195 L CA -0.083 54.693 54.840 -0.105 0.000 0.824 195 L CB 1.614 43.636 42.059 -0.062 0.000 1.221 195 L HN 0.812 nan 8.230 nan 0.000 0.418 196 G N 1.736 110.521 108.800 -0.024 0.000 3.111 196 G HA2 0.058 4.028 3.960 0.016 0.000 0.158 196 G HA3 0.058 4.028 3.960 0.016 0.000 0.158 196 G C -1.289 173.628 174.900 0.029 0.000 1.161 196 G CA -0.322 44.790 45.100 0.020 0.000 1.025 196 G HN 0.460 nan 8.290 nan 0.000 0.619 197 D N 0.753 121.182 120.400 0.048 0.000 2.455 197 D HA 0.485 5.134 4.640 0.016 0.000 0.234 197 D C 0.849 177.184 176.300 0.059 0.000 1.224 197 D CA 1.761 55.788 54.000 0.045 0.000 0.999 197 D CB -0.454 40.374 40.800 0.046 0.000 1.072 197 D HN 1.194 nan 8.370 nan 0.000 0.514 198 G N 2.035 110.861 108.800 0.044 0.000 2.512 198 G HA2 0.168 4.138 3.960 0.016 0.000 0.210 198 G HA3 0.168 4.138 3.960 0.016 0.000 0.210 198 G C -0.544 174.383 174.900 0.045 0.000 1.295 198 G CA -0.346 44.786 45.100 0.054 0.000 0.934 198 G HN 1.400 nan 8.290 nan 0.000 0.554 199 S N -1.416 114.327 115.700 0.071 0.000 2.595 199 S HA 0.925 5.404 4.470 0.016 0.000 0.270 199 S C -0.907 173.762 174.600 0.114 0.000 1.145 199 S CA 0.138 58.334 58.200 -0.008 0.000 0.825 199 S CB 2.025 65.190 63.200 -0.058 0.000 1.107 199 S HN 2.429 nan 8.310 nan 0.000 0.461 200 F N -1.214 118.743 119.950 0.012 0.000 2.686 200 F HA 0.891 5.428 4.527 0.017 0.000 0.311 200 F C -1.072 174.733 175.800 0.008 0.000 1.128 200 F CA -0.933 57.072 58.000 0.009 0.000 0.946 200 F CB 0.936 39.940 39.000 0.006 0.000 1.336 200 F HN 0.705 nan 8.300 nan 0.000 0.457 201 E N 0.204 120.563 120.200 0.266 0.000 2.277 201 E HA 0.785 5.145 4.350 0.016 0.000 0.266 201 E C -0.505 176.227 176.600 0.221 0.000 0.901 201 E CA -1.271 55.222 56.400 0.156 0.000 0.782 201 E CB 2.488 32.240 29.700 0.087 0.000 1.228 201 E HN 1.123 nan 8.360 nan 0.000 0.424 202 G N 0.820 109.713 108.800 0.156 0.000 2.349 202 G HA2 0.246 4.215 3.960 0.016 0.000 0.294 202 G HA3 0.246 4.215 3.960 0.016 0.000 0.294 202 G C -1.570 173.391 174.900 0.102 0.000 1.380 202 G CA -0.878 44.301 45.100 0.132 0.000 0.811 202 G HN 0.282 nan 8.290 nan 0.000 0.519 203 I N 1.542 122.160 120.570 0.080 0.000 2.371 203 I HA 0.466 4.645 4.170 0.016 0.000 0.290 203 I C 1.099 177.255 176.117 0.064 0.000 1.028 203 I CA -0.578 60.766 61.300 0.073 0.000 1.345 203 I CB 0.873 38.906 38.000 0.054 0.000 1.407 203 I HN 0.696 nan 8.210 nan 0.000 0.501 204 A N 7.002 129.868 122.820 0.077 0.000 2.457 204 A HA 0.204 4.534 4.320 0.016 0.000 0.298 204 A C 1.157 178.762 177.584 0.036 0.000 1.288 204 A CA -0.281 51.783 52.037 0.045 0.000 0.956 204 A CB -0.062 18.989 19.000 0.085 0.000 1.135 204 A HN 0.725 nan 8.150 nan 0.000 0.535 205 E N 1.074 121.278 120.200 0.007 0.000 2.060 205 E HA 0.029 4.389 4.350 0.016 0.000 0.189 205 E C 0.120 176.718 176.600 -0.003 0.000 0.974 205 E CA 0.937 57.340 56.400 0.006 0.000 0.808 205 E CB 0.216 29.916 29.700 0.000 0.000 0.768 205 E HN 0.833 nan 8.360 nan 0.000 0.453 206 D N -1.336 119.048 120.400 -0.027 0.000 2.827 206 D HA 0.178 4.827 4.640 0.016 0.000 0.336 206 D C -1.474 174.791 176.300 -0.059 0.000 1.374 206 D CA -0.575 53.408 54.000 -0.028 0.000 0.794 206 D CB 0.505 41.295 40.800 -0.015 0.000 1.364 206 D HN -0.037 nan 8.370 nan 0.000 0.464 207 I N -0.614 119.933 120.570 -0.038 0.000 2.530 207 I HA 0.646 4.825 4.170 0.016 0.000 0.297 207 I C -0.060 176.068 176.117 0.019 0.000 1.011 207 I CA -0.860 60.429 61.300 -0.019 0.000 1.107 207 I CB 1.738 39.746 38.000 0.012 0.000 1.285 207 I HN 0.248 nan 8.210 nan 0.000 0.436 208 D N 3.357 123.795 120.400 0.064 0.000 2.425 208 D HA 0.021 4.671 4.640 0.016 0.000 0.274 208 D C 0.730 177.063 176.300 0.055 0.000 1.242 208 D CA -0.215 53.823 54.000 0.064 0.000 1.060 208 D CB 0.243 41.104 40.800 0.101 0.000 1.112 208 D HN 0.724 nan 8.370 nan 0.000 0.561 209 D N -1.272 119.114 120.400 -0.022 0.000 2.384 209 D HA -0.156 4.494 4.640 0.016 0.000 0.222 209 D C 0.790 176.936 176.300 -0.257 0.000 0.976 209 D CA 0.509 54.409 54.000 -0.167 0.000 0.915 209 D CB -0.390 40.235 40.800 -0.292 0.000 0.896 209 D HN 0.276 nan 8.370 nan 0.000 0.523 210 F N -0.326 119.704 119.950 0.134 0.000 2.682 210 F HA 0.372 4.908 4.527 0.015 0.000 0.308 210 F C 1.985 177.967 175.800 0.303 0.000 1.093 210 F CA 0.091 58.201 58.000 0.184 0.000 1.244 210 F CB 0.967 40.054 39.000 0.145 0.000 1.052 210 F HN 0.157 nan 8.300 nan 0.000 0.573 211 G N 0.988 110.053 108.800 0.442 0.000 2.157 211 G HA2 -0.281 3.689 3.960 0.016 0.000 0.248 211 G HA3 -0.281 3.689 3.960 0.016 0.000 0.248 211 G C 0.464 175.776 174.900 0.687 0.000 0.979 211 G CA -0.494 44.952 45.100 0.576 0.000 0.650 211 G HN 0.283 nan 8.290 nan 0.000 0.529 212 R N -0.418 120.361 120.500 0.465 0.000 2.438 212 R HA 0.466 4.815 4.340 0.016 0.000 0.287 212 R C 0.261 176.582 176.300 0.035 0.000 1.077 212 R CA -0.663 55.644 56.100 0.345 0.000 1.034 212 R CB 0.924 31.366 30.300 0.236 0.000 0.993 212 R HN 0.213 nan 8.270 nan 0.000 0.459 213 L N 4.570 125.548 121.223 -0.410 0.000 2.360 213 L HA 0.200 4.549 4.340 0.016 0.000 0.276 213 L C -0.555 176.123 176.870 -0.319 0.000 1.121 213 L CA 0.177 54.585 54.840 -0.720 0.000 0.845 213 L CB 0.602 41.705 42.059 -1.595 0.000 1.143 213 L HN 0.426 nan 8.230 nan 0.000 0.452 214 I N 6.756 127.215 120.570 -0.185 0.000 2.315 214 I HA 0.296 4.476 4.170 0.016 0.000 0.291 214 I C -0.107 175.973 176.117 -0.061 0.000 1.006 214 I CA -0.355 60.895 61.300 -0.084 0.000 1.265 214 I CB 0.953 38.927 38.000 -0.043 0.000 1.387 214 I HN 0.399 nan 8.210 nan 0.000 0.475 215 I N 6.397 126.956 120.570 -0.018 0.000 2.433 215 I HA 0.383 4.563 4.170 0.016 0.000 0.292 215 I C 0.305 176.433 176.117 0.017 0.000 1.001 215 I CA -0.708 60.615 61.300 0.038 0.000 1.119 215 I CB 1.883 39.992 38.000 0.181 0.000 1.289 215 I HN 0.535 nan 8.210 nan 0.000 0.438 216 R N 5.963 126.478 120.500 0.026 0.000 2.246 216 R HA 0.526 4.876 4.340 0.016 0.000 0.332 216 R C -1.236 175.078 176.300 0.024 0.000 0.974 216 R CA -0.681 55.424 56.100 0.008 0.000 0.837 216 R CB 0.824 31.130 30.300 0.010 0.000 1.145 216 R HN 0.361 nan 8.270 nan 0.000 0.467 217 L N 3.145 124.368 121.223 -0.000 0.000 2.453 217 L HA 0.087 4.437 4.340 0.016 0.000 0.261 217 L C 1.374 178.252 176.870 0.014 0.000 1.179 217 L CA 0.317 55.167 54.840 0.017 0.000 0.813 217 L CB 0.792 42.834 42.059 -0.028 0.000 1.110 217 L HN 0.642 nan 8.230 nan 0.000 0.466 218 D N -0.248 120.168 120.400 0.025 0.000 2.221 218 D HA -0.164 4.485 4.640 0.016 0.000 0.204 218 D C 1.890 178.194 176.300 0.007 0.000 0.982 218 D CA 1.621 55.632 54.000 0.019 0.000 0.857 218 D CB 0.050 40.864 40.800 0.024 0.000 0.934 218 D HN 0.704 nan 8.370 nan 0.000 0.475 219 S N -0.810 114.889 115.700 -0.001 0.000 2.515 219 S HA 0.127 4.607 4.470 0.016 0.000 0.231 219 S C 1.826 176.419 174.600 -0.012 0.000 0.987 219 S CA 1.086 59.282 58.200 -0.008 0.000 0.936 219 S CB 0.269 63.459 63.200 -0.016 0.000 0.766 219 S HN 0.359 nan 8.310 nan 0.000 0.528 220 G N 0.950 109.742 108.800 -0.013 0.000 2.213 220 G HA2 -0.280 3.689 3.960 0.016 0.000 0.226 220 G HA3 -0.280 3.689 3.960 0.016 0.000 0.226 220 G C -0.118 174.766 174.900 -0.027 0.000 0.992 220 G CA 0.112 45.204 45.100 -0.014 0.000 0.632 220 G HN 0.811 nan 8.290 nan 0.000 0.511 221 E N 0.712 120.887 120.200 -0.041 0.000 2.413 221 E HA 0.380 4.739 4.350 0.016 0.000 0.263 221 E C -0.131 176.423 176.600 -0.075 0.000 1.015 221 E CA -0.114 56.248 56.400 -0.063 0.000 0.916 221 E CB 0.708 30.355 29.700 -0.089 0.000 0.947 221 E HN 0.215 nan 8.360 nan 0.000 0.440 222 V N 5.135 125.004 119.914 -0.074 0.000 2.459 222 V HA 0.336 4.465 4.120 0.016 0.000 0.295 222 V C -0.082 175.951 176.094 -0.103 0.000 1.029 222 V CA -0.596 61.661 62.300 -0.071 0.000 0.874 222 V CB 1.565 33.364 31.823 -0.040 0.000 0.985 222 V HN 0.649 nan 8.190 nan 0.000 0.438 223 K N 3.700 124.025 120.400 -0.125 0.000 2.316 223 K HA 0.585 4.915 4.320 0.016 0.000 0.251 223 K C -0.940 175.629 176.600 -0.051 0.000 0.934 223 K CA -0.884 55.316 56.287 -0.144 0.000 0.802 223 K CB 2.480 34.765 32.500 -0.359 0.000 1.171 223 K HN 0.541 nan 8.250 nan 0.000 0.426 224 K N 2.217 122.605 120.400 -0.020 0.000 2.316 224 K HA 0.292 4.621 4.320 0.016 0.000 0.267 224 K C -0.664 175.962 176.600 0.044 0.000 1.025 224 K CA -0.674 55.618 56.287 0.009 0.000 0.896 224 K CB 1.611 34.130 32.500 0.032 0.000 1.124 224 K HN 0.188 nan 8.250 nan 0.000 0.451 225 V N 5.279 125.203 119.914 0.017 0.000 2.432 225 V HA 0.291 4.420 4.120 0.016 0.000 0.275 225 V C 0.283 176.521 176.094 0.239 0.000 1.043 225 V CA -0.676 61.678 62.300 0.090 0.000 0.925 225 V CB 0.811 32.623 31.823 -0.017 0.000 0.985 225 V HN 0.652 nan 8.190 nan 0.000 0.466 226 I N 5.610 126.352 120.570 0.287 0.000 2.353 226 I HA 0.301 4.481 4.170 0.016 0.000 0.293 226 I C -0.231 176.126 176.117 0.399 0.000 0.992 226 I CA -0.739 60.737 61.300 0.293 0.000 1.268 226 I CB 1.102 39.152 38.000 0.084 0.000 1.387 226 I HN 0.734 nan 8.210 nan 0.000 0.478 227 Y N 5.235 125.759 120.300 0.374 0.000 2.335 227 Y HA 0.726 5.287 4.550 0.018 0.000 0.331 227 Y C 0.395 176.291 175.900 -0.005 0.000 1.094 227 Y CA -0.518 57.621 58.100 0.066 0.000 1.253 227 Y CB 0.934 39.089 38.460 -0.508 0.000 1.203 227 Y HN 0.652 nan 8.280 nan 0.000 0.508 228 G N 2.559 111.433 108.800 0.123 0.000 3.431 228 G HA2 -0.006 3.963 3.960 0.016 0.000 0.152 228 G HA3 -0.006 3.963 3.960 0.016 0.000 0.152 228 G C -1.008 173.931 174.900 0.066 0.000 1.206 228 G CA -0.102 45.021 45.100 0.038 0.000 1.462 228 G HN 0.524 nan 8.290 nan 0.000 0.729 229 D N 1.280 121.710 120.400 0.049 0.000 2.973 229 D HA 0.460 5.109 4.640 0.016 0.000 0.263 229 D C -0.809 175.524 176.300 0.055 0.000 1.266 229 D CA -0.085 53.940 54.000 0.042 0.000 0.975 229 D CB 0.557 41.372 40.800 0.025 0.000 1.032 229 D HN 0.245 nan 8.370 nan 0.000 0.510 230 V N 0.212 120.173 119.914 0.078 0.000 2.808 230 V HA 0.551 4.681 4.120 0.016 0.000 0.308 230 V C -1.180 174.963 176.094 0.083 0.000 1.099 230 V CA -0.497 61.855 62.300 0.087 0.000 0.920 230 V CB 2.204 34.116 31.823 0.149 0.000 1.014 230 V HN 0.152 nan 8.190 nan 0.000 0.425 231 S N 4.829 120.554 115.700 0.042 0.000 2.607 231 S HA 0.794 5.274 4.470 0.016 0.000 0.303 231 S C -0.996 173.606 174.600 0.004 0.000 1.086 231 S CA -0.633 57.582 58.200 0.024 0.000 0.995 231 S CB 1.599 64.800 63.200 0.002 0.000 1.084 231 S HN 0.943 nan 8.310 nan 0.000 0.507 232 L N 3.558 124.775 121.223 -0.009 0.000 2.346 232 L HA 0.742 5.092 4.340 0.016 0.000 0.276 232 L C -0.979 175.774 176.870 -0.195 0.000 1.006 232 L CA -0.585 54.202 54.840 -0.089 0.000 0.817 232 L CB 0.936 42.978 42.059 -0.027 0.000 1.272 232 L HN 0.562 nan 8.230 nan 0.000 0.421 233 R N 3.990 124.348 120.500 -0.236 0.000 2.628 233 R HA 0.447 4.797 4.340 0.016 0.000 0.288 233 R C -1.437 174.725 176.300 -0.230 0.000 0.980 233 R CA -0.617 55.362 56.100 -0.202 0.000 0.891 233 R CB 1.909 32.163 30.300 -0.077 0.000 1.188 233 R HN 0.424 nan 8.270 nan 0.000 0.450 234 F N 1.857 121.843 119.950 0.061 0.000 2.375 234 F HA 0.415 4.953 4.527 0.018 0.000 0.333 234 F C 1.098 176.892 175.800 -0.009 0.000 1.104 234 F CA -0.373 57.653 58.000 0.042 0.000 1.149 234 F CB 0.623 39.659 39.000 0.060 0.000 1.190 234 F HN 0.147 nan 8.300 nan 0.000 0.533 235 L N 0.000 121.340 121.223 0.196 0.000 2.949 235 L HA 0.000 4.350 4.340 0.016 0.000 0.249 235 L CA 0.000 54.890 54.840 0.083 0.000 0.813 235 L CB 0.000 42.099 42.059 0.066 0.000 0.961 235 L HN 0.000 nan 8.230 nan 0.000 0.502