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 1bgp_1_A DATA FIRST_RESID 1 DATA SEQUENCE AEPPVAPGLS FDFYWQTcPR AESIVREFVQ EAVRKDIGLA AGLLRLHFHD DATA SEQUENCE cFVQGcDASV LLDGSATGPG EQQAPPNLTL RPSAFKAVND IRDRLEREcR DATA SEQUENCE GAVVScSDIL ALAARDSVVV SGGPDYRVPL GRRDSRSFAS TQDVLSDLPG DATA SEQUENCE PSSNVQSLLA LLGRLGLDAT DLVTISGGHT IGLAHcSSFE DRLFPRPDPT DATA SEQUENCE ISPTFLSRLK RTcPAKGTDR RTVLDVRTPN VFDNKYYIDL VNREGLFVSD DATA SEQUENCE QDLFTNAITR PIVERFAQSQ QDFFEQFGVS IGKMGQMRVR TSDQGEVRRN DATA SEQUENCE cSVRNPGPG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.600 177.584 0.027 0.000 1.274 1 A CA 0.000 52.054 52.037 0.029 0.000 0.836 1 A CB 0.000 19.022 19.000 0.036 0.000 0.831 2 E N 1.210 121.427 120.200 0.028 0.000 2.195 2 E HA 0.551 4.903 4.350 0.004 0.000 0.271 2 E C -2.502 174.166 176.600 0.114 0.000 0.923 2 E CA -1.812 54.619 56.400 0.052 0.000 0.790 2 E CB 1.861 31.548 29.700 -0.021 0.000 1.155 2 E HN 0.527 nan 8.360 nan 0.000 0.402 3 P HA 0.138 nan 4.420 nan 0.000 0.274 3 P C -2.541 174.853 177.300 0.157 0.000 1.231 3 P CA -1.330 61.845 63.100 0.125 0.000 0.790 3 P CB 0.051 31.812 31.700 0.101 0.000 0.951 4 P HA 0.069 nan 4.420 nan 0.000 0.271 4 P C -0.413 176.889 177.300 0.004 0.000 1.216 4 P CA 0.015 63.148 63.100 0.055 0.000 0.771 4 P CB 0.543 32.259 31.700 0.027 0.000 0.864 5 V N 2.994 122.892 119.914 -0.027 0.000 2.432 5 V HA 0.394 4.517 4.120 0.004 0.000 0.275 5 V C 0.987 177.026 176.094 -0.092 0.000 1.043 5 V CA -0.617 61.604 62.300 -0.133 0.000 0.925 5 V CB 0.650 32.340 31.823 -0.222 0.000 0.985 5 V HN 0.744 nan 8.190 nan 0.000 0.466 6 A N 7.023 129.781 122.820 -0.105 0.000 2.351 6 A HA 0.647 4.970 4.320 0.004 0.000 0.257 6 A C -2.347 175.192 177.584 -0.076 0.000 1.087 6 A CA -1.519 50.471 52.037 -0.078 0.000 0.798 6 A CB -0.140 18.812 19.000 -0.080 0.000 1.033 6 A HN 0.717 nan 8.150 nan 0.000 0.488 7 P HA 0.234 nan 4.420 nan 0.000 0.261 7 P C 1.030 178.302 177.300 -0.047 0.000 1.183 7 P CA 2.037 65.112 63.100 -0.042 0.000 0.761 7 P CB 0.533 32.214 31.700 -0.032 0.000 0.785 8 G N 1.678 110.457 108.800 -0.035 0.000 2.279 8 G HA2 -0.209 3.753 3.960 0.004 0.000 0.223 8 G HA3 -0.209 3.753 3.960 0.004 0.000 0.223 8 G C -0.218 174.661 174.900 -0.035 0.000 1.015 8 G CA -0.435 44.651 45.100 -0.023 0.000 0.621 8 G HN 0.441 nan 8.290 nan 0.000 0.506 9 L N 1.549 122.716 121.223 -0.093 0.000 2.387 9 L HA 0.844 5.186 4.340 0.004 0.000 0.266 9 L C 0.770 177.565 176.870 -0.126 0.000 1.059 9 L CA 0.201 54.948 54.840 -0.155 0.000 0.801 9 L CB 1.802 43.733 42.059 -0.214 0.000 1.223 9 L HN 0.934 nan 8.230 nan 0.000 0.456 10 S N -0.394 115.224 115.700 -0.137 0.000 2.565 10 S HA 0.613 5.086 4.470 0.004 0.000 0.274 10 S C -0.982 173.535 174.600 -0.138 0.000 1.144 10 S CA -0.922 57.191 58.200 -0.145 0.000 0.849 10 S CB 0.299 63.517 63.200 0.030 0.000 1.103 10 S HN 0.143 nan 8.310 nan 0.000 0.455 11 F N 2.291 122.276 119.950 0.058 0.000 2.450 11 F HA 0.351 4.880 4.527 0.003 0.000 0.339 11 F C 1.348 177.188 175.800 0.066 0.000 1.146 11 F CA 0.258 58.293 58.000 0.058 0.000 1.267 11 F CB 0.042 39.067 39.000 0.042 0.000 1.178 11 F HN 0.808 nan 8.300 nan 0.000 0.585 12 D N 1.240 121.800 120.400 0.266 0.000 2.837 12 D HA -0.299 4.343 4.640 0.004 0.000 0.230 12 D C 1.143 177.511 176.300 0.112 0.000 1.152 12 D CA 0.586 54.691 54.000 0.174 0.000 0.736 12 D CB -1.441 39.436 40.800 0.128 0.000 1.084 12 D HN 0.557 nan 8.370 nan 0.000 0.429 13 F N 0.089 119.985 119.950 -0.089 0.000 2.202 13 F HA -0.230 4.300 4.527 0.004 0.000 0.301 13 F C 1.591 177.176 175.800 -0.358 0.000 1.082 13 F CA 1.461 59.288 58.000 -0.287 0.000 1.313 13 F CB -0.076 38.630 39.000 -0.491 0.000 1.024 13 F HN 0.052 nan 8.300 nan 0.000 0.495 14 Y N -2.406 117.995 120.300 0.169 0.000 2.493 14 Y HA 0.146 4.699 4.550 0.004 0.000 0.275 14 Y C 2.211 178.118 175.900 0.011 0.000 1.183 14 Y CA 0.054 58.199 58.100 0.074 0.000 1.258 14 Y CB -1.663 36.879 38.460 0.136 0.000 1.108 14 Y HN 0.226 nan 8.280 nan 0.000 0.521 15 W N 0.498 121.852 121.300 0.090 0.000 2.304 15 W HA -0.274 4.388 4.660 0.004 0.000 0.315 15 W C 2.129 178.667 176.519 0.031 0.000 1.233 15 W CA 2.344 59.723 57.345 0.057 0.000 1.261 15 W CB -0.888 28.587 29.460 0.024 0.000 1.150 15 W HN 0.236 nan 8.180 nan 0.000 0.494 16 Q N -1.140 118.655 119.800 -0.008 0.000 2.089 16 Q HA -0.100 4.242 4.340 0.004 0.000 0.195 16 Q C 2.467 178.474 176.000 0.012 0.000 0.963 16 Q CA 2.244 58.040 55.803 -0.013 0.000 0.834 16 Q CB -0.529 28.179 28.738 -0.050 0.000 0.906 16 Q HN 0.708 nan 8.270 nan 0.000 0.452 17 T N -1.906 112.665 114.554 0.029 0.000 2.737 17 T HA -0.093 4.259 4.350 0.004 0.000 0.265 17 T C 1.245 175.997 174.700 0.086 0.000 1.038 17 T CA 0.647 62.788 62.100 0.069 0.000 1.144 17 T CB -0.091 68.849 68.868 0.121 0.000 0.866 17 T HN 0.235 nan 8.240 nan 0.000 0.434 18 c N 3.320 121.996 118.600 0.128 0.000 3.384 18 c HA 0.450 5.023 4.570 0.004 0.000 0.294 18 c C -1.748 172.395 174.090 0.087 0.000 1.062 18 c CA -1.593 54.777 56.329 0.068 0.000 1.325 18 c CB 1.105 43.613 42.510 -0.004 0.000 1.793 18 c HN 0.271 nan 8.230 nan 0.000 0.563 19 P HA -0.136 nan 4.420 nan 0.000 0.216 19 P C 1.000 178.329 177.300 0.049 0.000 1.150 19 P CA 1.461 64.600 63.100 0.065 0.000 0.837 19 P CB 0.107 31.831 31.700 0.041 0.000 0.786 20 R N -0.523 119.992 120.500 0.025 0.000 2.320 20 R HA 0.268 4.610 4.340 0.004 0.000 0.211 20 R C 2.207 178.505 176.300 -0.003 0.000 0.931 20 R CA 0.329 56.436 56.100 0.012 0.000 1.071 20 R CB -0.436 29.867 30.300 0.006 0.000 1.025 20 R HN 0.127 nan 8.270 nan 0.000 0.495 21 A N 1.978 124.789 122.820 -0.015 0.000 1.873 21 A HA -0.249 4.073 4.320 0.004 0.000 0.218 21 A C 1.852 179.412 177.584 -0.041 0.000 1.193 21 A CA 1.495 53.492 52.037 -0.068 0.000 0.629 21 A CB -0.265 18.640 19.000 -0.160 0.000 0.826 21 A HN 0.342 nan 8.150 nan 0.000 0.447 22 E N -0.147 120.053 120.200 0.000 0.000 2.153 22 E HA -0.127 4.226 4.350 0.004 0.000 0.194 22 E C 2.307 178.903 176.600 -0.007 0.000 0.988 22 E CA 1.294 57.695 56.400 0.002 0.000 0.811 22 E CB -0.190 29.526 29.700 0.027 0.000 0.746 22 E HN 0.626 nan 8.360 nan 0.000 0.466 23 S N 0.825 116.524 115.700 -0.001 0.000 2.368 23 S HA -0.103 4.370 4.470 0.004 0.000 0.224 23 S C 1.976 176.582 174.600 0.009 0.000 1.029 23 S CA 0.619 58.820 58.200 0.001 0.000 0.988 23 S CB -0.035 63.167 63.200 0.003 0.000 0.838 23 S HN 0.179 nan 8.310 nan 0.000 0.462 24 I N 1.597 122.171 120.570 0.006 0.000 2.226 24 I HA -0.092 4.080 4.170 0.004 0.000 0.245 24 I C 2.296 178.441 176.117 0.046 0.000 1.100 24 I CA 0.998 62.311 61.300 0.022 0.000 1.374 24 I CB -1.585 36.412 38.000 -0.005 0.000 1.057 24 I HN 0.150 nan 8.210 nan 0.000 0.413 25 V N 0.993 120.914 119.914 0.010 0.000 2.295 25 V HA -0.258 3.864 4.120 0.004 0.000 0.246 25 V C 2.777 178.911 176.094 0.068 0.000 1.049 25 V CA 1.976 64.288 62.300 0.019 0.000 1.024 25 V CB -0.821 30.984 31.823 -0.031 0.000 0.648 25 V HN 0.377 nan 8.190 nan 0.000 0.447 26 R N 0.261 120.778 120.500 0.028 0.000 2.073 26 R HA -0.198 4.145 4.340 0.004 0.000 0.234 26 R C 2.296 178.617 176.300 0.036 0.000 1.134 26 R CA 2.027 58.136 56.100 0.015 0.000 0.952 26 R CB -0.273 30.016 30.300 -0.017 0.000 0.850 26 R HN 0.610 nan 8.270 nan 0.000 0.433 27 E N -0.529 119.697 120.200 0.044 0.000 2.118 27 E HA -0.230 4.123 4.350 0.004 0.000 0.195 27 E C 1.708 178.337 176.600 0.047 0.000 0.992 27 E CA 1.423 57.844 56.400 0.035 0.000 0.804 27 E CB -0.205 29.516 29.700 0.035 0.000 0.741 27 E HN 0.335 nan 8.360 nan 0.000 0.458 28 F N 0.877 120.813 119.950 -0.023 0.000 2.113 28 F HA -0.188 4.341 4.527 0.004 0.000 0.297 28 F C 2.128 177.917 175.800 -0.017 0.000 1.103 28 F CA 1.010 58.999 58.000 -0.018 0.000 1.248 28 F CB -0.214 38.775 39.000 -0.019 0.000 0.999 28 F HN -0.212 nan 8.300 nan 0.000 0.475 29 V N 0.651 120.688 119.914 0.206 0.000 2.343 29 V HA -0.344 3.779 4.120 0.004 0.000 0.247 29 V C 2.316 178.398 176.094 -0.019 0.000 1.051 29 V CA 2.264 64.628 62.300 0.106 0.000 1.036 29 V CB -0.910 30.968 31.823 0.093 0.000 0.654 29 V HN 0.412 nan 8.190 nan 0.000 0.451 30 Q N -0.373 119.409 119.800 -0.030 0.000 2.077 30 Q HA -0.307 4.036 4.340 0.004 0.000 0.206 30 Q C 2.359 178.309 176.000 -0.083 0.000 0.989 30 Q CA 2.167 57.941 55.803 -0.048 0.000 0.853 30 Q CB -0.223 28.492 28.738 -0.039 0.000 0.907 30 Q HN 0.652 nan 8.270 nan 0.000 0.418 31 E N 0.588 120.706 120.200 -0.137 0.000 2.072 31 E HA -0.129 4.224 4.350 0.004 0.000 0.191 31 E C 1.780 178.255 176.600 -0.209 0.000 0.985 31 E CA 1.360 57.655 56.400 -0.175 0.000 0.801 31 E CB -0.260 29.307 29.700 -0.222 0.000 0.750 31 E HN 0.322 nan 8.360 nan 0.000 0.452 32 A N 0.118 122.752 122.820 -0.309 0.000 1.902 32 A HA -0.130 4.192 4.320 0.004 0.000 0.217 32 A C 2.482 180.007 177.584 -0.099 0.000 1.181 32 A CA 1.711 53.596 52.037 -0.253 0.000 0.623 32 A CB -0.751 18.078 19.000 -0.285 0.000 0.818 32 A HN 0.207 nan 8.150 nan 0.000 0.443 33 V N -0.086 119.790 119.914 -0.064 0.000 2.548 33 V HA -0.194 3.928 4.120 0.004 0.000 0.249 33 V C 2.574 178.652 176.094 -0.026 0.000 1.055 33 V CA 1.983 64.269 62.300 -0.023 0.000 1.065 33 V CB -0.826 30.994 31.823 -0.006 0.000 0.681 33 V HN 0.646 nan 8.190 nan 0.000 0.462 34 R N 0.583 121.057 120.500 -0.044 0.000 2.091 34 R HA -0.194 4.148 4.340 0.004 0.000 0.238 34 R C 2.302 178.583 176.300 -0.031 0.000 1.136 34 R CA 1.753 57.832 56.100 -0.035 0.000 0.959 34 R CB -0.112 30.160 30.300 -0.046 0.000 0.856 34 R HN 0.460 nan 8.270 nan 0.000 0.437 35 K N -0.832 119.541 120.400 -0.045 0.000 2.217 35 K HA -0.080 4.242 4.320 0.004 0.000 0.202 35 K C -0.012 176.578 176.600 -0.017 0.000 1.051 35 K CA 0.963 57.230 56.287 -0.035 0.000 0.952 35 K CB 0.164 32.634 32.500 -0.050 0.000 0.736 35 K HN 0.064 nan 8.250 nan 0.000 0.453 36 D N -0.013 120.379 120.400 -0.013 0.000 2.328 36 D HA 0.056 4.698 4.640 0.004 0.000 0.243 36 D C 0.219 176.526 176.300 0.012 0.000 1.324 36 D CA -0.373 53.629 54.000 0.005 0.000 0.966 36 D CB 0.651 41.458 40.800 0.012 0.000 1.324 36 D HN -0.147 nan 8.370 nan 0.000 0.549 37 I N 2.907 123.486 120.570 0.014 0.000 2.248 37 I HA -0.048 4.125 4.170 0.004 0.000 0.248 37 I C 2.018 178.155 176.117 0.033 0.000 1.107 37 I CA 2.148 63.461 61.300 0.022 0.000 1.373 37 I CB -0.176 37.837 38.000 0.023 0.000 1.055 37 I HN 0.512 nan 8.210 nan 0.000 0.418 38 G N 0.067 108.888 108.800 0.035 0.000 2.498 38 G HA2 -0.238 3.724 3.960 0.004 0.000 0.219 38 G HA3 -0.238 3.724 3.960 0.004 0.000 0.219 38 G C 1.566 176.494 174.900 0.047 0.000 1.119 38 G CA 0.784 45.910 45.100 0.044 0.000 0.766 38 G HN 0.457 nan 8.290 nan 0.000 0.552 39 L N 1.286 122.534 121.223 0.042 0.000 2.131 39 L HA 0.112 4.454 4.340 0.004 0.000 0.210 39 L C 2.956 179.858 176.870 0.053 0.000 1.092 39 L CA 1.908 56.775 54.840 0.045 0.000 0.759 39 L CB -0.647 41.439 42.059 0.045 0.000 0.903 39 L HN 0.214 nan 8.230 nan 0.000 0.435 40 A N -0.367 122.485 122.820 0.054 0.000 1.883 40 A HA -0.155 4.168 4.320 0.004 0.000 0.217 40 A C 2.478 180.116 177.584 0.089 0.000 1.186 40 A CA 2.049 54.124 52.037 0.064 0.000 0.624 40 A CB -1.251 17.785 19.000 0.059 0.000 0.822 40 A HN 0.568 nan 8.150 nan 0.000 0.444 41 A N -0.608 122.267 122.820 0.092 0.000 1.902 41 A HA 0.127 4.450 4.320 0.004 0.000 0.217 41 A C 2.432 180.081 177.584 0.109 0.000 1.181 41 A CA 1.974 54.080 52.037 0.113 0.000 0.623 41 A CB -1.429 17.629 19.000 0.097 0.000 0.818 41 A HN 0.763 nan 8.150 nan 0.000 0.443 42 G N -0.092 108.752 108.800 0.073 0.000 2.446 42 G HA2 -0.191 3.772 3.960 0.004 0.000 0.217 42 G HA3 -0.191 3.772 3.960 0.004 0.000 0.217 42 G C 1.567 176.487 174.900 0.034 0.000 1.168 42 G CA 1.106 46.229 45.100 0.039 0.000 0.771 42 G HN 0.434 nan 8.290 nan 0.000 0.551 43 L N -0.458 120.795 121.223 0.051 0.000 2.056 43 L HA -0.004 4.338 4.340 0.004 0.000 0.207 43 L C 2.704 179.654 176.870 0.133 0.000 1.078 43 L CA 0.437 55.313 54.840 0.061 0.000 0.749 43 L CB -0.442 41.653 42.059 0.059 0.000 0.901 43 L HN 0.210 nan 8.230 nan 0.000 0.433 44 L N 0.106 121.429 121.223 0.166 0.000 2.046 44 L HA -0.213 4.129 4.340 0.004 0.000 0.208 44 L C 2.744 179.804 176.870 0.315 0.000 1.077 44 L CA 1.730 56.720 54.840 0.251 0.000 0.747 44 L CB -0.636 41.570 42.059 0.246 0.000 0.896 44 L HN 0.138 nan 8.230 nan 0.000 0.432 45 R N -0.905 119.761 120.500 0.276 0.000 2.092 45 R HA -0.148 4.194 4.340 0.004 0.000 0.231 45 R C 2.271 178.778 176.300 0.345 0.000 1.119 45 R CA 1.524 57.852 56.100 0.379 0.000 0.970 45 R CB -0.425 30.055 30.300 0.300 0.000 0.864 45 R HN 0.400 nan 8.270 nan 0.000 0.440 46 L N 0.792 122.119 121.223 0.173 0.000 2.012 46 L HA -0.212 4.131 4.340 0.004 0.000 0.210 46 L C 2.272 179.266 176.870 0.207 0.000 1.073 46 L CA 2.261 57.149 54.840 0.081 0.000 0.748 46 L CB -0.939 41.081 42.059 -0.066 0.000 0.891 46 L HN 0.275 nan 8.230 nan 0.000 0.431 47 H N -1.011 118.149 119.070 0.151 0.000 2.321 47 H HA -0.254 4.305 4.556 0.005 0.000 0.300 47 H C 1.955 177.421 175.328 0.231 0.000 1.087 47 H CA 2.240 58.386 56.048 0.164 0.000 1.319 47 H CB -0.635 29.227 29.762 0.167 0.000 1.379 47 H HN 0.480 nan 8.280 nan 0.000 0.501 48 F N 0.360 120.371 119.950 0.101 0.000 2.075 48 F HA -0.148 4.381 4.527 0.002 0.000 0.297 48 F C 2.615 178.553 175.800 0.231 0.000 1.113 48 F CA 2.287 60.356 58.000 0.116 0.000 1.218 48 F CB -1.238 37.854 39.000 0.153 0.000 0.984 48 F HN 0.338 nan 8.300 nan 0.000 0.472 49 H N -0.316 118.405 119.070 -0.581 0.000 2.289 49 H HA -0.191 4.368 4.556 0.005 0.000 0.296 49 H C 2.084 177.267 175.328 -0.243 0.000 1.091 49 H CA 2.510 58.186 56.048 -0.620 0.000 1.274 49 H CB -0.767 28.848 29.762 -0.246 0.000 1.364 49 H HN 0.457 nan 8.280 nan 0.000 0.490 50 D N -0.718 119.704 120.400 0.038 0.000 2.104 50 D HA -0.176 4.467 4.640 0.004 0.000 0.194 50 D C 2.241 178.518 176.300 -0.037 0.000 0.994 50 D CA 1.593 55.620 54.000 0.045 0.000 0.830 50 D CB -0.672 40.205 40.800 0.129 0.000 0.959 50 D HN 0.464 nan 8.370 nan 0.000 0.452 51 c N -0.481 118.079 118.600 -0.066 0.000 2.413 51 c HA -0.124 4.449 4.570 0.004 0.000 0.276 51 c C 2.502 176.467 174.090 -0.209 0.000 1.248 51 c CA 0.502 56.745 56.329 -0.142 0.000 1.742 51 c CB -1.491 40.885 42.510 -0.224 0.000 2.017 51 c HN 0.357 nan 8.230 nan 0.000 0.481 52 F N 0.190 119.997 119.950 -0.239 0.000 2.293 52 F HA 0.058 4.588 4.527 0.004 0.000 0.297 52 F C 1.247 176.929 175.800 -0.197 0.000 1.089 52 F CA 0.774 58.649 58.000 -0.209 0.000 1.377 52 F CB -0.310 38.531 39.000 -0.265 0.000 1.051 52 F HN -0.118 nan 8.300 nan 0.000 0.511 53 V N 1.798 121.657 119.914 -0.092 0.000 2.338 53 V HA 0.066 4.188 4.120 0.004 0.000 0.255 53 V C 0.250 176.311 176.094 -0.054 0.000 1.082 53 V CA 0.079 62.322 62.300 -0.095 0.000 0.951 53 V CB -0.125 31.606 31.823 -0.154 0.000 1.102 53 V HN 0.481 nan 8.190 nan 0.000 0.489 54 Q N 2.483 122.256 119.800 -0.046 0.000 2.608 54 Q HA -0.218 4.124 4.340 0.004 0.000 0.154 54 Q C 0.761 176.724 176.000 -0.062 0.000 1.090 54 Q CA 1.423 57.201 55.803 -0.041 0.000 1.183 54 Q CB -1.281 27.445 28.738 -0.019 0.000 1.087 54 Q HN 1.316 nan 8.270 nan 0.000 1.015 55 G N -1.379 107.372 108.800 -0.080 0.000 2.326 55 G HA2 0.080 4.043 3.960 0.004 0.000 0.413 55 G HA3 0.080 4.043 3.960 0.004 0.000 0.413 55 G C -0.746 174.113 174.900 -0.067 0.000 1.444 55 G CA -0.558 44.484 45.100 -0.097 0.000 1.002 55 G HN 0.287 nan 8.290 nan 0.000 0.649 56 c N 1.850 120.410 118.600 -0.066 0.000 2.773 56 c HA 0.422 4.995 4.570 0.004 0.000 0.442 56 c C 0.886 174.980 174.090 0.007 0.000 1.028 56 c CA 0.293 56.618 56.329 -0.007 0.000 1.164 56 c CB -1.870 40.652 42.510 0.020 0.000 1.593 56 c HN 0.736 nan 8.230 nan 0.000 0.557 57 D N -0.274 120.133 120.400 0.011 0.000 2.582 57 D HA 0.284 4.926 4.640 0.004 0.000 0.246 57 D C 1.035 177.353 176.300 0.029 0.000 1.334 57 D CA 0.268 54.272 54.000 0.007 0.000 0.805 57 D CB -0.307 40.484 40.800 -0.014 0.000 1.087 57 D HN 0.459 nan 8.370 nan 0.000 0.499 58 A N 0.641 123.497 122.820 0.060 0.000 2.847 58 A HA -0.291 4.031 4.320 0.004 0.000 0.263 58 A C 1.936 179.579 177.584 0.098 0.000 1.391 58 A CA 1.474 53.563 52.037 0.086 0.000 0.866 58 A CB -2.568 16.474 19.000 0.069 0.000 1.057 58 A HN 0.810 nan 8.150 nan 0.000 0.673 59 S N -0.516 115.235 115.700 0.085 0.000 2.382 59 S HA -0.125 4.347 4.470 0.004 0.000 0.228 59 S C 1.834 176.527 174.600 0.155 0.000 1.027 59 S CA 1.823 60.083 58.200 0.101 0.000 0.991 59 S CB -1.230 62.012 63.200 0.070 0.000 0.823 59 S HN 1.950 nan 8.310 nan 0.000 0.469 60 V N -0.168 119.851 119.914 0.175 0.000 3.305 60 V HA 0.195 4.318 4.120 0.004 0.000 0.269 60 V C 1.950 178.219 176.094 0.292 0.000 1.157 60 V CA 0.987 63.432 62.300 0.241 0.000 1.157 60 V CB -1.126 30.895 31.823 0.330 0.000 0.772 60 V HN 0.522 nan 8.190 nan 0.000 0.498 61 L N -0.232 121.146 121.223 0.258 0.000 2.313 61 L HA 0.215 4.557 4.340 0.004 0.000 0.214 61 L C 1.117 178.048 176.870 0.103 0.000 1.119 61 L CA 0.407 55.405 54.840 0.264 0.000 0.809 61 L CB -0.251 41.940 42.059 0.220 0.000 0.933 61 L HN 0.295 nan 8.230 nan 0.000 0.449 62 L N 0.788 122.084 121.223 0.123 0.000 2.410 62 L HA -0.049 4.294 4.340 0.004 0.000 0.273 62 L C 1.301 178.171 176.870 0.001 0.000 1.152 62 L CA -0.122 54.795 54.840 0.128 0.000 0.855 62 L CB 0.649 42.905 42.059 0.329 0.000 1.129 62 L HN 0.007 nan 8.230 nan 0.000 0.463 63 D N 2.419 122.780 120.400 -0.065 0.000 2.178 63 D HA -0.139 4.503 4.640 0.004 0.000 0.201 63 D C 1.877 178.019 176.300 -0.263 0.000 0.980 63 D CA 1.488 55.388 54.000 -0.167 0.000 0.842 63 D CB 0.275 40.992 40.800 -0.139 0.000 0.948 63 D HN 0.706 nan 8.370 nan 0.000 0.472 64 G N -0.897 107.631 108.800 -0.453 0.000 2.679 64 G HA2 -0.020 3.943 3.960 0.004 0.000 0.212 64 G HA3 -0.020 3.943 3.960 0.004 0.000 0.212 64 G C 0.542 175.051 174.900 -0.652 0.000 1.137 64 G CA 0.157 44.650 45.100 -1.012 0.000 0.787 64 G HN 0.203 nan 8.290 nan 0.000 0.534 65 S N 0.103 115.682 115.700 -0.202 0.000 2.585 65 S HA 0.629 5.102 4.470 0.004 0.000 0.277 65 S C 0.557 175.147 174.600 -0.017 0.000 1.241 65 S CA -0.439 57.763 58.200 0.004 0.000 1.041 65 S CB 1.591 64.878 63.200 0.145 0.000 0.987 65 S HN 0.517 nan 8.310 nan 0.000 0.512 66 A N 1.992 124.825 122.820 0.022 0.000 2.483 66 A HA 0.457 4.779 4.320 0.004 0.000 0.238 66 A C 1.298 178.931 177.584 0.081 0.000 1.070 66 A CA 0.437 52.492 52.037 0.029 0.000 0.770 66 A CB -0.767 18.256 19.000 0.039 0.000 1.008 66 A HN 1.921 nan 8.150 nan 0.000 0.497 67 T N -1.317 113.283 114.554 0.078 0.000 6.387 67 T HA -0.179 4.174 4.350 0.004 0.000 0.290 67 T C 1.027 175.814 174.700 0.145 0.000 1.901 67 T CA 1.837 64.015 62.100 0.131 0.000 3.035 67 T CB -2.291 66.736 68.868 0.266 0.000 1.917 67 T HN 2.334 nan 8.240 nan 0.000 1.121 68 G N 1.957 110.775 108.800 0.030 0.000 2.570 68 G HA2 0.546 4.508 3.960 0.004 0.000 0.276 68 G HA3 0.546 4.508 3.960 0.004 0.000 0.276 68 G C -0.467 174.142 174.900 -0.486 0.000 1.346 68 G CA -0.606 44.418 45.100 -0.126 0.000 1.034 68 G HN 0.337 nan 8.290 nan 0.000 0.512 69 P HA -0.068 nan 4.420 nan 0.000 0.219 69 P C 1.371 178.413 177.300 -0.431 0.000 1.146 69 P CA 1.727 64.168 63.100 -1.098 0.000 0.808 69 P CB 0.060 31.192 31.700 -0.946 0.000 0.779 70 G N -0.659 107.965 108.800 -0.293 0.000 3.189 70 G HA2 -0.008 3.954 3.960 0.004 0.000 0.225 70 G HA3 -0.008 3.954 3.960 0.004 0.000 0.225 70 G C 0.308 175.133 174.900 -0.123 0.000 1.159 70 G CA -0.081 44.916 45.100 -0.172 0.000 0.763 70 G HN 0.207 nan 8.290 nan 0.000 0.549 71 E N 0.536 120.664 120.200 -0.120 0.000 2.299 71 E HA 0.240 4.592 4.350 0.004 0.000 0.272 71 E C 0.986 177.562 176.600 -0.041 0.000 1.043 71 E CA 0.270 56.631 56.400 -0.065 0.000 0.895 71 E CB 0.562 30.241 29.700 -0.035 0.000 1.011 71 E HN 0.350 nan 8.360 nan 0.000 0.432 72 Q N 2.779 122.557 119.800 -0.036 0.000 2.157 72 Q HA 0.041 4.383 4.340 0.004 0.000 0.235 72 Q C 0.670 176.655 176.000 -0.024 0.000 0.803 72 Q CA 0.022 55.809 55.803 -0.027 0.000 0.967 72 Q CB 0.666 29.387 28.738 -0.029 0.000 1.150 72 Q HN 0.475 nan 8.270 nan 0.000 0.482 73 Q N 0.521 120.306 119.800 -0.024 0.000 2.339 73 Q HA 0.215 4.558 4.340 0.004 0.000 0.205 73 Q C 0.489 176.477 176.000 -0.019 0.000 0.925 73 Q CA 0.512 56.303 55.803 -0.021 0.000 0.898 73 Q CB 0.319 29.044 28.738 -0.021 0.000 1.013 73 Q HN 0.218 nan 8.270 nan 0.000 0.504 74 A N 2.878 125.690 122.820 -0.014 0.000 2.445 74 A HA 0.330 4.652 4.320 0.004 0.000 0.242 74 A C -2.003 175.565 177.584 -0.026 0.000 1.075 74 A CA -1.052 50.979 52.037 -0.009 0.000 0.777 74 A CB -0.463 18.541 19.000 0.008 0.000 1.013 74 A HN 0.066 nan 8.150 nan 0.000 0.493 75 P HA 0.166 nan 4.420 nan 0.000 0.272 75 P C -2.225 175.023 177.300 -0.087 0.000 1.230 75 P CA -1.278 61.787 63.100 -0.058 0.000 0.788 75 P CB -0.004 31.672 31.700 -0.040 0.000 0.949 76 P HA -0.224 nan 4.420 nan 0.000 0.218 76 P C 1.265 178.503 177.300 -0.104 0.000 1.154 76 P CA 1.765 64.715 63.100 -0.250 0.000 0.872 76 P CB -0.377 30.888 31.700 -0.726 0.000 0.790 77 N N -1.071 117.595 118.700 -0.057 0.000 2.571 77 N HA -0.083 4.660 4.740 0.004 0.000 0.189 77 N C 0.902 176.429 175.510 0.029 0.000 1.154 77 N CA 0.804 53.859 53.050 0.010 0.000 0.907 77 N CB -0.331 38.155 38.487 -0.002 0.000 0.977 77 N HN 0.184 nan 8.380 nan 0.000 0.449 78 L N 0.349 121.581 121.223 0.014 0.000 3.016 78 L HA 0.280 4.622 4.340 0.004 0.000 0.267 78 L C -0.306 176.569 176.870 0.008 0.000 1.182 78 L CA 0.336 55.202 54.840 0.044 0.000 0.997 78 L CB 0.648 42.742 42.059 0.058 0.000 1.354 78 L HN -0.085 nan 8.230 nan 0.000 0.569 79 T N 1.618 116.167 114.554 -0.008 0.000 2.756 79 T HA 0.457 4.809 4.350 0.004 0.000 0.290 79 T C 0.028 174.730 174.700 0.002 0.000 0.985 79 T CA -0.453 61.653 62.100 0.009 0.000 0.955 79 T CB 1.419 70.290 68.868 0.004 0.000 0.930 79 T HN -0.210 nan 8.240 nan 0.000 0.451 80 L N 2.628 123.860 121.223 0.015 0.000 2.456 80 L HA 0.410 4.753 4.340 0.004 0.000 0.257 80 L C 1.216 178.090 176.870 0.007 0.000 1.162 80 L CA -0.363 54.434 54.840 -0.072 0.000 0.808 80 L CB 0.193 42.078 42.059 -0.290 0.000 1.136 80 L HN 0.549 nan 8.230 nan 0.000 0.466 81 R N 2.012 122.471 120.500 -0.068 0.000 2.484 81 R HA 0.029 4.371 4.340 0.004 0.000 0.293 81 R C -1.457 174.875 176.300 0.055 0.000 1.023 81 R CA -1.250 54.849 56.100 -0.002 0.000 1.037 81 R CB 0.180 30.472 30.300 -0.014 0.000 0.951 81 R HN 0.384 nan 8.270 nan 0.000 0.418 82 P HA -0.198 nan 4.420 nan 0.000 0.216 82 P C 1.190 178.607 177.300 0.196 0.000 1.150 82 P CA 1.371 64.623 63.100 0.253 0.000 0.837 82 P CB 0.217 32.007 31.700 0.150 0.000 0.786 83 S N -0.799 114.966 115.700 0.108 0.000 2.419 83 S HA -0.101 4.372 4.470 0.004 0.000 0.233 83 S C 2.029 176.673 174.600 0.073 0.000 1.016 83 S CA 1.081 59.336 58.200 0.091 0.000 0.974 83 S CB -1.278 61.963 63.200 0.068 0.000 0.786 83 S HN 0.108 nan 8.310 nan 0.000 0.492 84 A N 1.280 124.099 122.820 -0.001 0.000 1.872 84 A HA 0.184 4.506 4.320 0.004 0.000 0.214 84 A C 1.844 179.387 177.584 -0.069 0.000 1.187 84 A CA 1.130 53.116 52.037 -0.084 0.000 0.614 84 A CB -1.007 17.854 19.000 -0.232 0.000 0.826 84 A HN 0.488 nan 8.150 nan 0.000 0.442 85 F N 0.308 120.283 119.950 0.041 0.000 2.102 85 F HA -0.128 4.402 4.527 0.004 0.000 0.298 85 F C 2.272 178.088 175.800 0.025 0.000 1.105 85 F CA 1.852 59.870 58.000 0.030 0.000 1.239 85 F CB -0.440 38.574 39.000 0.022 0.000 0.991 85 F HN 0.137 nan 8.300 nan 0.000 0.474 86 K N 0.919 121.457 120.400 0.231 0.000 2.009 86 K HA -0.131 4.192 4.320 0.004 0.000 0.210 86 K C 2.146 178.811 176.600 0.108 0.000 1.049 86 K CA 1.611 57.985 56.287 0.145 0.000 0.929 86 K CB -0.913 31.666 32.500 0.133 0.000 0.714 86 K HN 0.117 nan 8.250 nan 0.000 0.440 87 A N 0.138 123.031 122.820 0.121 0.000 1.892 87 A HA -0.157 4.165 4.320 0.004 0.000 0.218 87 A C 2.381 179.941 177.584 -0.040 0.000 1.188 87 A CA 2.141 54.257 52.037 0.131 0.000 0.631 87 A CB -0.979 18.136 19.000 0.191 0.000 0.822 87 A HN 0.144 nan 8.150 nan 0.000 0.447 88 V N 0.958 120.867 119.914 -0.008 0.000 2.332 88 V HA -0.287 3.835 4.120 0.004 0.000 0.248 88 V C 2.352 178.398 176.094 -0.079 0.000 1.055 88 V CA 2.189 64.461 62.300 -0.047 0.000 1.038 88 V CB -0.977 30.859 31.823 0.022 0.000 0.651 88 V HN 0.568 nan 8.190 nan 0.000 0.450 89 N N 0.250 118.936 118.700 -0.023 0.000 2.120 89 N HA -0.157 4.586 4.740 0.004 0.000 0.188 89 N C 1.573 177.023 175.510 -0.099 0.000 1.024 89 N CA 1.652 54.683 53.050 -0.032 0.000 0.852 89 N CB -0.448 38.049 38.487 0.017 0.000 1.003 89 N HN 0.482 nan 8.380 nan 0.000 0.424 90 D N 0.938 121.255 120.400 -0.137 0.000 2.117 90 D HA -0.056 4.586 4.640 0.004 0.000 0.197 90 D C 2.124 178.141 176.300 -0.472 0.000 0.987 90 D CA 0.497 54.366 54.000 -0.218 0.000 0.829 90 D CB -0.231 40.505 40.800 -0.106 0.000 0.961 90 D HN 0.306 nan 8.370 nan 0.000 0.460 91 I N 0.513 120.683 120.570 -0.666 0.000 2.226 91 I HA -0.214 3.958 4.170 0.004 0.000 0.245 91 I C 2.659 178.590 176.117 -0.310 0.000 1.100 91 I CA 0.743 61.659 61.300 -0.640 0.000 1.374 91 I CB -0.187 37.511 38.000 -0.504 0.000 1.057 91 I HN -0.064 nan 8.210 nan 0.000 0.413 92 R N 1.034 121.406 120.500 -0.213 0.000 2.091 92 R HA -0.209 4.134 4.340 0.004 0.000 0.238 92 R C 1.787 178.020 176.300 -0.112 0.000 1.136 92 R CA 2.101 58.121 56.100 -0.132 0.000 0.959 92 R CB -0.304 29.945 30.300 -0.084 0.000 0.856 92 R HN 0.340 nan 8.270 nan 0.000 0.437 93 D N -0.097 120.238 120.400 -0.109 0.000 2.097 93 D HA -0.179 4.463 4.640 0.004 0.000 0.195 93 D C 1.964 178.222 176.300 -0.069 0.000 0.989 93 D CA 1.100 55.057 54.000 -0.071 0.000 0.827 93 D CB -0.308 40.461 40.800 -0.052 0.000 0.966 93 D HN 0.083 nan 8.370 nan 0.000 0.456 94 R N 0.839 121.280 120.500 -0.098 0.000 2.105 94 R HA -0.028 4.315 4.340 0.004 0.000 0.239 94 R C 2.271 178.533 176.300 -0.064 0.000 1.135 94 R CA 0.930 56.993 56.100 -0.062 0.000 0.967 94 R CB -0.800 29.463 30.300 -0.062 0.000 0.861 94 R HN 0.211 nan 8.270 nan 0.000 0.442 95 L N 0.005 121.169 121.223 -0.098 0.000 2.093 95 L HA -0.083 4.259 4.340 0.004 0.000 0.208 95 L C 2.521 179.345 176.870 -0.077 0.000 1.085 95 L CA 1.752 56.533 54.840 -0.098 0.000 0.755 95 L CB -0.525 41.452 42.059 -0.137 0.000 0.904 95 L HN 0.398 nan 8.230 nan 0.000 0.435 96 E N 0.360 120.521 120.200 -0.066 0.000 2.110 96 E HA -0.269 4.084 4.350 0.004 0.000 0.193 96 E C 2.352 178.933 176.600 -0.031 0.000 0.988 96 E CA 1.082 57.455 56.400 -0.044 0.000 0.804 96 E CB 0.107 29.787 29.700 -0.035 0.000 0.745 96 E HN 0.282 nan 8.360 nan 0.000 0.458 97 R N 0.251 120.734 120.500 -0.028 0.000 2.066 97 R HA -0.184 4.159 4.340 0.004 0.000 0.232 97 R C 2.345 178.636 176.300 -0.015 0.000 1.131 97 R CA 1.783 57.874 56.100 -0.016 0.000 0.955 97 R CB -0.127 30.167 30.300 -0.010 0.000 0.851 97 R HN 0.061 nan 8.270 nan 0.000 0.432 98 E N 0.087 120.274 120.200 -0.022 0.000 2.051 98 E HA -0.156 4.196 4.350 0.004 0.000 0.192 98 E C 1.555 178.142 176.600 -0.021 0.000 0.991 98 E CA 1.789 58.177 56.400 -0.020 0.000 0.799 98 E CB -0.292 29.393 29.700 -0.025 0.000 0.748 98 E HN 0.409 nan 8.360 nan 0.000 0.449 99 c N 0.809 119.389 118.600 -0.033 0.000 2.539 99 c HA 0.276 4.848 4.570 0.004 0.000 0.271 99 c C 0.504 174.586 174.090 -0.012 0.000 1.412 99 c CA 0.406 56.718 56.329 -0.027 0.000 1.729 99 c CB -1.611 40.869 42.510 -0.050 0.000 1.739 99 c HN 0.467 nan 8.230 nan 0.000 0.570 100 R N 0.181 120.674 120.500 -0.012 0.000 3.422 100 R HA -0.115 4.227 4.340 0.004 0.000 0.267 100 R C 0.316 176.614 176.300 -0.003 0.000 1.074 100 R CA 0.505 56.602 56.100 -0.005 0.000 0.718 100 R CB -2.183 28.116 30.300 -0.001 0.000 1.157 100 R HN 0.776 nan 8.270 nan 0.000 0.440 101 G N -1.886 106.909 108.800 -0.008 0.000 2.350 101 G HA2 0.408 4.371 3.960 0.004 0.000 0.305 101 G HA3 0.408 4.371 3.960 0.004 0.000 0.305 101 G C -1.245 173.651 174.900 -0.008 0.000 1.479 101 G CA -0.461 44.637 45.100 -0.002 0.000 0.949 101 G HN 0.481 nan 8.290 nan 0.000 0.651 102 A N 0.513 123.332 122.820 -0.002 0.000 2.906 102 A HA 0.563 4.885 4.320 0.004 0.000 0.289 102 A C 1.176 178.770 177.584 0.016 0.000 1.675 102 A CA 0.399 52.433 52.037 -0.004 0.000 1.372 102 A CB -0.141 18.859 19.000 0.001 0.000 1.091 102 A HN 1.375 nan 8.150 nan 0.000 0.579 103 V N 2.382 122.299 119.914 0.005 0.000 2.581 103 V HA -0.023 4.099 4.120 0.004 0.000 0.240 103 V C 0.995 177.135 176.094 0.077 0.000 1.054 103 V CA 0.767 63.107 62.300 0.067 0.000 1.076 103 V CB -0.181 31.679 31.823 0.062 0.000 0.748 103 V HN 0.480 nan 8.190 nan 0.000 0.474 104 V N 2.652 122.477 119.914 -0.149 0.000 2.488 104 V HA 0.316 4.439 4.120 0.004 0.000 0.277 104 V C 0.610 176.675 176.094 -0.048 0.000 1.046 104 V CA -0.254 61.893 62.300 -0.256 0.000 0.986 104 V CB 0.954 32.491 31.823 -0.477 0.000 0.989 104 V HN 0.562 nan 8.190 nan 0.000 0.475 105 S N 3.352 119.084 115.700 0.052 0.000 2.603 105 S HA 0.090 4.562 4.470 0.004 0.000 0.268 105 S C 1.128 175.727 174.600 -0.002 0.000 1.317 105 S CA -0.516 57.702 58.200 0.029 0.000 1.012 105 S CB 0.930 64.151 63.200 0.035 0.000 0.926 105 S HN 0.735 nan 8.310 nan 0.000 0.539 106 c N 1.524 120.125 118.600 0.001 0.000 2.435 106 c HA -0.019 4.554 4.570 0.004 0.000 0.279 106 c C 3.052 177.149 174.090 0.012 0.000 1.321 106 c CA 0.839 57.170 56.329 0.003 0.000 1.752 106 c CB -1.821 40.703 42.510 0.023 0.000 1.959 106 c HN 0.980 nan 8.230 nan 0.000 0.500 107 S N 1.177 116.887 115.700 0.017 0.000 2.368 107 S HA -0.172 4.300 4.470 0.004 0.000 0.225 107 S C 1.445 176.049 174.600 0.006 0.000 1.030 107 S CA 1.590 59.805 58.200 0.025 0.000 0.999 107 S CB -0.355 62.851 63.200 0.009 0.000 0.844 107 S HN 0.608 nan 8.310 nan 0.000 0.459 108 D N 1.309 121.707 120.400 -0.003 0.000 2.144 108 D HA 0.028 4.671 4.640 0.004 0.000 0.200 108 D C 1.833 178.112 176.300 -0.035 0.000 0.978 108 D CA 0.631 54.630 54.000 -0.002 0.000 0.833 108 D CB -0.345 40.503 40.800 0.080 0.000 0.961 108 D HN 0.339 nan 8.370 nan 0.000 0.470 109 I N 0.601 121.145 120.570 -0.043 0.000 2.208 109 I HA -0.261 3.912 4.170 0.004 0.000 0.245 109 I C 2.366 178.436 176.117 -0.079 0.000 1.097 109 I CA 0.732 61.991 61.300 -0.068 0.000 1.363 109 I CB -0.187 37.770 38.000 -0.072 0.000 1.051 109 I HN 0.010 nan 8.210 nan 0.000 0.413 110 L N 0.457 121.642 121.223 -0.064 0.000 2.042 110 L HA -0.229 4.114 4.340 0.004 0.000 0.210 110 L C 2.875 179.543 176.870 -0.336 0.000 1.076 110 L CA 1.462 56.250 54.840 -0.086 0.000 0.749 110 L CB -0.747 41.342 42.059 0.050 0.000 0.893 110 L HN 0.261 nan 8.230 nan 0.000 0.432 111 A N 0.066 122.643 122.820 -0.404 0.000 1.877 111 A HA -0.149 4.174 4.320 0.004 0.000 0.216 111 A C 2.240 179.662 177.584 -0.270 0.000 1.186 111 A CA 1.379 53.078 52.037 -0.564 0.000 0.620 111 A CB -0.639 18.234 19.000 -0.211 0.000 0.822 111 A HN 0.341 nan 8.150 nan 0.000 0.443 112 L N -0.840 120.293 121.223 -0.150 0.000 2.027 112 L HA -0.159 4.184 4.340 0.004 0.000 0.206 112 L C 3.124 179.933 176.870 -0.101 0.000 1.074 112 L CA 1.075 55.854 54.840 -0.101 0.000 0.745 112 L CB -0.634 41.388 42.059 -0.062 0.000 0.898 112 L HN 0.421 nan 8.230 nan 0.000 0.433 113 A N 0.115 122.884 122.820 -0.085 0.000 1.940 113 A HA -0.206 4.117 4.320 0.004 0.000 0.219 113 A C 2.516 180.081 177.584 -0.030 0.000 1.176 113 A CA 1.867 53.879 52.037 -0.041 0.000 0.631 113 A CB -0.701 18.287 19.000 -0.021 0.000 0.814 113 A HN 0.427 nan 8.150 nan 0.000 0.446 114 A N -0.499 122.292 122.820 -0.048 0.000 1.877 114 A HA -0.159 4.163 4.320 0.004 0.000 0.216 114 A C 2.290 179.901 177.584 0.044 0.000 1.186 114 A CA 1.653 53.716 52.037 0.043 0.000 0.620 114 A CB -0.520 18.532 19.000 0.087 0.000 0.822 114 A HN 0.429 nan 8.150 nan 0.000 0.443 115 R N 0.233 120.711 120.500 -0.038 0.000 2.073 115 R HA -0.161 4.181 4.340 0.004 0.000 0.234 115 R C 1.270 177.420 176.300 -0.250 0.000 1.134 115 R CA 2.118 58.076 56.100 -0.236 0.000 0.952 115 R CB -0.777 29.234 30.300 -0.482 0.000 0.850 115 R HN 0.489 nan 8.270 nan 0.000 0.433 116 D N -0.062 120.239 120.400 -0.165 0.000 2.178 116 D HA -0.071 4.571 4.640 0.004 0.000 0.201 116 D C 1.908 178.152 176.300 -0.094 0.000 0.980 116 D CA 1.151 55.076 54.000 -0.126 0.000 0.842 116 D CB -0.122 40.637 40.800 -0.069 0.000 0.948 116 D HN 0.162 nan 8.370 nan 0.000 0.472 117 S N 0.040 115.706 115.700 -0.057 0.000 2.382 117 S HA -0.092 4.381 4.470 0.004 0.000 0.228 117 S C 2.318 176.870 174.600 -0.081 0.000 1.027 117 S CA 0.432 58.616 58.200 -0.027 0.000 0.991 117 S CB -0.113 63.104 63.200 0.027 0.000 0.823 117 S HN 0.090 nan 8.310 nan 0.000 0.469 118 V N 1.445 121.257 119.914 -0.170 0.000 2.270 118 V HA -0.138 3.985 4.120 0.004 0.000 0.245 118 V C 2.333 178.188 176.094 -0.398 0.000 1.043 118 V CA 1.449 63.481 62.300 -0.447 0.000 1.014 118 V CB -0.727 30.750 31.823 -0.577 0.000 0.645 118 V HN 0.330 nan 8.190 nan 0.000 0.447 119 V N -0.163 119.574 119.914 -0.294 0.000 2.287 119 V HA -0.244 3.878 4.120 0.004 0.000 0.248 119 V C 2.417 178.432 176.094 -0.131 0.000 1.053 119 V CA 2.078 64.244 62.300 -0.223 0.000 1.027 119 V CB -0.556 31.149 31.823 -0.197 0.000 0.646 119 V HN 0.420 nan 8.190 nan 0.000 0.447 120 V N -0.203 119.653 119.914 -0.096 0.000 2.594 120 V HA -0.184 3.939 4.120 0.004 0.000 0.253 120 V C 2.165 178.248 176.094 -0.018 0.000 1.069 120 V CA 2.080 64.352 62.300 -0.047 0.000 1.082 120 V CB -0.496 31.307 31.823 -0.033 0.000 0.680 120 V HN 0.555 nan 8.190 nan 0.000 0.469 121 S N -0.306 115.384 115.700 -0.016 0.000 2.631 121 S HA 0.323 4.796 4.470 0.004 0.000 0.217 121 S C 1.536 176.194 174.600 0.096 0.000 0.958 121 S CA 0.732 58.965 58.200 0.055 0.000 0.920 121 S CB 0.333 63.601 63.200 0.112 0.000 0.776 121 S HN 0.888 nan 8.310 nan 0.000 0.517 122 G N 0.932 109.756 108.800 0.041 0.000 2.157 122 G HA2 -0.155 3.808 3.960 0.004 0.000 0.239 122 G HA3 -0.155 3.808 3.960 0.004 0.000 0.239 122 G C 0.327 175.278 174.900 0.084 0.000 0.982 122 G CA -0.299 44.853 45.100 0.088 0.000 0.650 122 G HN 0.776 nan 8.290 nan 0.000 0.527 123 G N 0.024 108.739 108.800 -0.142 0.000 2.543 123 G HA2 0.731 4.694 3.960 0.004 0.000 0.290 123 G HA3 0.731 4.694 3.960 0.004 0.000 0.290 123 G C -1.893 172.605 174.900 -0.669 0.000 1.310 123 G CA -0.534 44.210 45.100 -0.593 0.000 1.025 123 G HN 0.281 nan 8.290 nan 0.000 0.502 124 P HA 0.158 nan 4.420 nan 0.000 0.275 124 P C -1.142 176.045 177.300 -0.187 0.000 1.228 124 P CA -0.248 62.597 63.100 -0.425 0.000 0.786 124 P CB 1.513 32.988 31.700 -0.375 0.000 0.927 125 D N 2.547 122.878 120.400 -0.114 0.000 2.396 125 D HA 0.194 4.836 4.640 0.004 0.000 0.225 125 D C -0.664 175.597 176.300 -0.065 0.000 1.121 125 D CA -0.219 53.686 54.000 -0.159 0.000 0.853 125 D CB -0.239 40.488 40.800 -0.122 0.000 1.043 125 D HN 0.255 nan 8.370 nan 0.000 0.500 126 Y N 0.821 121.079 120.300 -0.070 0.000 2.549 126 Y HA 0.600 5.154 4.550 0.006 0.000 0.339 126 Y C 0.284 176.170 175.900 -0.023 0.000 1.053 126 Y CA -1.381 56.693 58.100 -0.044 0.000 1.105 126 Y CB 0.868 39.313 38.460 -0.025 0.000 1.258 126 Y HN -0.060 nan 8.280 nan 0.000 0.478 127 R N 1.298 121.883 120.500 0.142 0.000 2.441 127 R HA 0.540 4.882 4.340 0.004 0.000 0.284 127 R C -1.313 175.214 176.300 0.378 0.000 1.070 127 R CA -0.816 55.344 56.100 0.099 0.000 1.047 127 R CB 1.534 31.694 30.300 -0.232 0.000 1.016 127 R HN 0.593 nan 8.270 nan 0.000 0.477 128 V N 5.006 125.134 119.914 0.356 0.000 2.409 128 V HA 0.260 4.382 4.120 0.004 0.000 0.291 128 V C -2.164 174.088 176.094 0.263 0.000 1.020 128 V CA -2.285 60.204 62.300 0.314 0.000 0.848 128 V CB 1.786 33.693 31.823 0.140 0.000 0.990 128 V HN 0.637 nan 8.190 nan 0.000 0.430 129 P HA 0.402 nan 4.420 nan 0.000 0.271 129 P C -0.818 176.388 177.300 -0.156 0.000 1.216 129 P CA 0.008 62.892 63.100 -0.360 0.000 0.776 129 P CB 0.693 32.130 31.700 -0.438 0.000 0.881 130 L N 1.182 122.303 121.223 -0.171 0.000 2.283 130 L HA 0.770 5.112 4.340 0.004 0.000 0.259 130 L C 1.139 177.661 176.870 -0.580 0.000 1.027 130 L CA -0.614 54.102 54.840 -0.206 0.000 0.828 130 L CB 1.842 43.894 42.059 -0.011 0.000 1.380 130 L HN 0.644 nan 8.230 nan 0.000 0.425 131 G N 0.232 108.474 108.800 -0.929 0.000 2.198 131 G HA2 -0.146 3.816 3.960 0.004 0.000 0.156 131 G HA3 -0.146 3.816 3.960 0.004 0.000 0.156 131 G C 0.089 174.564 174.900 -0.708 0.000 1.012 131 G CA -0.671 43.448 45.100 -1.635 0.000 0.692 131 G HN 0.471 nan 8.290 nan 0.000 0.492 132 R N 0.418 120.689 120.500 -0.381 0.000 2.643 132 R HA 0.567 4.909 4.340 0.004 0.000 0.270 132 R C 0.325 176.539 176.300 -0.142 0.000 1.061 132 R CA -0.017 55.965 56.100 -0.198 0.000 1.107 132 R CB 0.442 30.677 30.300 -0.107 0.000 0.999 132 R HN 0.075 nan 8.270 nan 0.000 0.460 133 R N 1.190 121.635 120.500 -0.091 0.000 2.732 133 R HA 0.261 4.604 4.340 0.004 0.000 0.278 133 R C -0.754 175.528 176.300 -0.030 0.000 0.976 133 R CA -0.919 55.152 56.100 -0.048 0.000 0.963 133 R CB 1.107 31.383 30.300 -0.039 0.000 1.150 133 R HN 0.572 nan 8.270 nan 0.000 0.478 134 D N 0.430 120.821 120.400 -0.014 0.000 2.304 134 D HA 0.055 4.697 4.640 0.004 0.000 0.250 134 D C 0.171 176.457 176.300 -0.023 0.000 1.107 134 D CA 0.146 54.141 54.000 -0.008 0.000 0.885 134 D CB 1.354 42.156 40.800 0.003 0.000 1.192 134 D HN 0.226 nan 8.370 nan 0.000 0.436 135 S N 1.263 116.948 115.700 -0.025 0.000 2.592 135 S HA 0.159 4.631 4.470 0.004 0.000 0.271 135 S C 0.917 175.465 174.600 -0.086 0.000 1.326 135 S CA -0.421 57.749 58.200 -0.050 0.000 1.024 135 S CB 0.639 63.814 63.200 -0.042 0.000 0.921 135 S HN 0.322 nan 8.310 nan 0.000 0.527 136 R N 1.571 121.993 120.500 -0.129 0.000 2.468 136 R HA 0.225 4.568 4.340 0.004 0.000 0.280 136 R C -0.378 175.707 176.300 -0.358 0.000 0.963 136 R CA -0.066 55.905 56.100 -0.215 0.000 1.083 136 R CB 0.608 30.810 30.300 -0.163 0.000 1.200 136 R HN 0.399 nan 8.270 nan 0.000 0.541 137 S N 0.988 116.529 115.700 -0.266 0.000 2.437 137 S HA 0.386 4.858 4.470 0.004 0.000 0.305 137 S C -0.495 173.991 174.600 -0.191 0.000 1.109 137 S CA -0.625 57.421 58.200 -0.257 0.000 1.099 137 S CB 0.758 63.891 63.200 -0.112 0.000 1.004 137 S HN -0.018 nan 8.310 nan 0.000 0.475 138 F N 1.957 121.908 119.950 0.000 0.000 2.410 138 F HA 0.496 5.026 4.527 0.004 0.000 0.334 138 F C 0.947 176.749 175.800 0.004 0.000 1.134 138 F CA -1.235 56.767 58.000 0.003 0.000 1.227 138 F CB 0.324 39.324 39.000 -0.001 0.000 1.194 138 F HN 0.583 nan 8.300 nan 0.000 0.571 139 A N 1.820 124.775 122.820 0.224 0.000 2.328 139 A HA 0.568 4.891 4.320 0.004 0.000 0.284 139 A C -0.032 177.612 177.584 0.100 0.000 1.160 139 A CA -0.428 51.681 52.037 0.119 0.000 0.818 139 A CB -0.068 18.988 19.000 0.094 0.000 1.087 139 A HN 0.777 nan 8.150 nan 0.000 0.504 140 S N 1.203 116.945 115.700 0.071 0.000 2.687 140 S HA 0.422 4.895 4.470 0.004 0.000 0.283 140 S C 1.282 175.903 174.600 0.034 0.000 1.170 140 S CA 0.134 58.364 58.200 0.050 0.000 1.008 140 S CB 0.873 64.099 63.200 0.045 0.000 1.026 140 S HN 1.163 nan 8.310 nan 0.000 0.541 141 T N -1.550 113.019 114.554 0.025 0.000 2.803 141 T HA -0.224 4.128 4.350 0.004 0.000 0.269 141 T C 1.680 176.391 174.700 0.018 0.000 1.052 141 T CA 1.648 63.761 62.100 0.021 0.000 1.136 141 T CB -0.606 68.270 68.868 0.015 0.000 0.864 141 T HN 0.588 nan 8.240 nan 0.000 0.467 142 Q N 1.646 121.456 119.800 0.018 0.000 2.084 142 Q HA -0.131 4.212 4.340 0.004 0.000 0.202 142 Q C 1.973 177.981 176.000 0.014 0.000 0.978 142 Q CA 1.954 57.766 55.803 0.015 0.000 0.844 142 Q CB -0.644 28.103 28.738 0.016 0.000 0.898 142 Q HN 0.567 nan 8.270 nan 0.000 0.426 143 D N -0.929 119.481 120.400 0.016 0.000 2.104 143 D HA -0.139 4.503 4.640 0.004 0.000 0.194 143 D C 1.893 178.192 176.300 -0.002 0.000 0.994 143 D CA 1.549 55.555 54.000 0.009 0.000 0.830 143 D CB -0.097 40.712 40.800 0.014 0.000 0.959 143 D HN 0.183 nan 8.370 nan 0.000 0.452 144 V N 1.484 121.396 119.914 -0.003 0.000 2.295 144 V HA -0.224 3.898 4.120 0.004 0.000 0.246 144 V C 2.746 178.834 176.094 -0.011 0.000 1.049 144 V CA 1.174 63.461 62.300 -0.023 0.000 1.024 144 V CB -0.568 31.258 31.823 0.004 0.000 0.648 144 V HN 0.180 nan 8.190 nan 0.000 0.447 145 L N 0.884 122.110 121.223 0.005 0.000 2.079 145 L HA -0.181 4.162 4.340 0.004 0.000 0.210 145 L C 2.649 179.528 176.870 0.014 0.000 1.081 145 L CA 2.010 56.855 54.840 0.010 0.000 0.752 145 L CB -0.699 41.367 42.059 0.012 0.000 0.896 145 L HN 0.572 nan 8.230 nan 0.000 0.433 146 S N -1.831 113.878 115.700 0.015 0.000 2.425 146 S HA -0.066 4.407 4.470 0.004 0.000 0.225 146 S C 1.292 175.914 174.600 0.037 0.000 1.024 146 S CA 0.774 58.988 58.200 0.023 0.000 0.951 146 S CB -0.066 63.145 63.200 0.019 0.000 0.796 146 S HN 0.341 nan 8.310 nan 0.000 0.498 147 D N 0.432 120.854 120.400 0.037 0.000 2.423 147 D HA 0.296 4.938 4.640 0.004 0.000 0.208 147 D C -0.113 176.261 176.300 0.123 0.000 1.068 147 D CA -0.076 53.972 54.000 0.081 0.000 0.860 147 D CB 0.029 40.864 40.800 0.057 0.000 0.992 147 D HN 0.302 nan 8.370 nan 0.000 0.504 148 L N 3.668 124.904 121.223 0.021 0.000 2.278 148 L HA 0.313 4.656 4.340 0.004 0.000 0.287 148 L C -2.250 174.598 176.870 -0.037 0.000 1.072 148 L CA -1.646 53.158 54.840 -0.060 0.000 0.819 148 L CB 0.473 42.444 42.059 -0.147 0.000 1.176 148 L HN -0.202 nan 8.230 nan 0.000 0.435 149 P HA 0.220 nan 4.420 nan 0.000 0.271 149 P C -0.328 176.977 177.300 0.008 0.000 1.216 149 P CA -0.267 62.814 63.100 -0.030 0.000 0.771 149 P CB 0.960 32.603 31.700 -0.096 0.000 0.864 150 G N 3.144 111.947 108.800 0.005 0.000 2.410 150 G HA2 0.402 4.365 3.960 0.004 0.000 0.330 150 G HA3 0.402 4.365 3.960 0.004 0.000 0.330 150 G C -1.484 173.392 174.900 -0.041 0.000 1.142 150 G CA -1.433 43.657 45.100 -0.017 0.000 0.902 150 G HN 0.298 nan 8.290 nan 0.000 0.491 151 P HA -0.047 nan 4.420 nan 0.000 0.225 151 P C 1.308 178.588 177.300 -0.035 0.000 1.148 151 P CA 0.805 63.759 63.100 -0.243 0.000 0.779 151 P CB 0.479 31.676 31.700 -0.838 0.000 0.780 152 S N -0.844 114.848 115.700 -0.014 0.000 2.558 152 S HA 0.080 4.552 4.470 0.004 0.000 0.217 152 S C 0.972 175.603 174.600 0.052 0.000 0.975 152 S CA -0.043 58.180 58.200 0.039 0.000 0.912 152 S CB -0.273 62.944 63.200 0.029 0.000 0.776 152 S HN 0.161 nan 8.310 nan 0.000 0.526 153 S N 3.689 119.417 115.700 0.046 0.000 2.564 153 S HA 0.246 4.719 4.470 0.004 0.000 0.278 153 S C 0.339 174.981 174.600 0.070 0.000 1.333 153 S CA -0.773 57.459 58.200 0.052 0.000 1.048 153 S CB 0.414 63.642 63.200 0.046 0.000 0.900 153 S HN 0.657 nan 8.310 nan 0.000 0.505 154 N N 0.848 119.585 118.700 0.062 0.000 2.458 154 N HA 0.241 4.984 4.740 0.004 0.000 0.271 154 N C 0.894 176.442 175.510 0.065 0.000 1.210 154 N CA -0.886 52.203 53.050 0.066 0.000 0.978 154 N CB -0.134 38.384 38.487 0.052 0.000 1.206 154 N HN 0.170 nan 8.380 nan 0.000 0.536 155 V N -0.233 119.720 119.914 0.064 0.000 2.392 155 V HA -0.280 3.843 4.120 0.004 0.000 0.249 155 V C 2.601 178.727 176.094 0.053 0.000 1.059 155 V CA 2.139 64.477 62.300 0.063 0.000 1.051 155 V CB -1.048 30.809 31.823 0.057 0.000 0.658 155 V HN 0.805 nan 8.190 nan 0.000 0.455 156 Q N -0.141 119.684 119.800 0.043 0.000 2.061 156 Q HA -0.217 4.125 4.340 0.004 0.000 0.204 156 Q C 2.394 178.419 176.000 0.042 0.000 0.984 156 Q CA 2.323 58.148 55.803 0.037 0.000 0.846 156 Q CB -0.110 28.645 28.738 0.029 0.000 0.902 156 Q HN 0.673 nan 8.270 nan 0.000 0.421 157 S N 0.721 116.448 115.700 0.045 0.000 2.368 157 S HA -0.102 4.370 4.470 0.004 0.000 0.224 157 S C 1.932 176.568 174.600 0.059 0.000 1.029 157 S CA 1.047 59.276 58.200 0.048 0.000 0.988 157 S CB -0.236 62.991 63.200 0.045 0.000 0.838 157 S HN 0.346 nan 8.310 nan 0.000 0.462 158 L N 1.057 122.319 121.223 0.065 0.000 2.046 158 L HA -0.067 4.275 4.340 0.004 0.000 0.208 158 L C 2.252 179.176 176.870 0.091 0.000 1.077 158 L CA 0.981 55.869 54.840 0.080 0.000 0.747 158 L CB -0.591 41.516 42.059 0.080 0.000 0.896 158 L HN 0.276 nan 8.230 nan 0.000 0.432 159 L N -0.490 120.778 121.223 0.075 0.000 2.083 159 L HA -0.191 4.152 4.340 0.004 0.000 0.209 159 L C 2.870 179.780 176.870 0.066 0.000 1.083 159 L CA 1.033 55.916 54.840 0.071 0.000 0.752 159 L CB -0.681 41.411 42.059 0.055 0.000 0.899 159 L HN 0.256 nan 8.230 nan 0.000 0.433 160 A N 0.158 123.014 122.820 0.060 0.000 1.858 160 A HA -0.228 4.094 4.320 0.004 0.000 0.216 160 A C 2.189 179.811 177.584 0.064 0.000 1.190 160 A CA 1.696 53.764 52.037 0.053 0.000 0.617 160 A CB -0.735 18.291 19.000 0.045 0.000 0.827 160 A HN 0.309 nan 8.150 nan 0.000 0.443 161 L N -0.654 120.619 121.223 0.083 0.000 1.989 161 L HA -0.133 4.209 4.340 0.004 0.000 0.211 161 L C 2.179 179.128 176.870 0.132 0.000 1.071 161 L CA 1.921 56.826 54.840 0.109 0.000 0.749 161 L CB -0.666 41.474 42.059 0.135 0.000 0.890 161 L HN 0.264 nan 8.230 nan 0.000 0.431 162 L N 0.142 121.460 121.223 0.159 0.000 2.131 162 L HA -0.047 4.296 4.340 0.004 0.000 0.210 162 L C 2.533 179.454 176.870 0.084 0.000 1.092 162 L CA 1.767 56.704 54.840 0.162 0.000 0.759 162 L CB -1.613 40.558 42.059 0.188 0.000 0.903 162 L HN 0.412 nan 8.230 nan 0.000 0.435 163 G N -0.931 107.910 108.800 0.069 0.000 2.418 163 G HA2 -0.314 3.648 3.960 0.004 0.000 0.217 163 G HA3 -0.314 3.648 3.960 0.004 0.000 0.217 163 G C 1.804 176.721 174.900 0.028 0.000 1.158 163 G CA 0.789 45.915 45.100 0.043 0.000 0.771 163 G HN 0.349 nan 8.290 nan 0.000 0.545 164 R N 0.021 120.540 120.500 0.032 0.000 2.096 164 R HA 0.107 4.449 4.340 0.004 0.000 0.235 164 R C 2.024 178.323 176.300 -0.002 0.000 1.127 164 R CA 0.878 56.989 56.100 0.017 0.000 0.968 164 R CB -0.310 30.004 30.300 0.024 0.000 0.861 164 R HN 0.385 nan 8.270 nan 0.000 0.440 165 L N -0.213 121.006 121.223 -0.005 0.000 2.591 165 L HA 0.250 4.592 4.340 0.004 0.000 0.228 165 L C 0.893 177.726 176.870 -0.062 0.000 1.133 165 L CA 0.457 55.262 54.840 -0.057 0.000 0.880 165 L CB 0.458 42.447 42.059 -0.117 0.000 1.033 165 L HN 0.617 nan 8.230 nan 0.000 0.450 166 G N 0.615 109.400 108.800 -0.025 0.000 2.132 166 G HA2 -0.231 3.731 3.960 0.004 0.000 0.228 166 G HA3 -0.231 3.731 3.960 0.004 0.000 0.228 166 G C -0.138 174.757 174.900 -0.008 0.000 1.000 166 G CA -0.295 44.792 45.100 -0.021 0.000 0.693 166 G HN 0.217 nan 8.290 nan 0.000 0.515 167 L N 0.793 122.025 121.223 0.015 0.000 2.362 167 L HA 0.630 4.972 4.340 0.004 0.000 0.271 167 L C 0.110 177.014 176.870 0.056 0.000 1.002 167 L CA -1.133 53.731 54.840 0.040 0.000 0.818 167 L CB 1.701 43.801 42.059 0.069 0.000 1.298 167 L HN 0.326 nan 8.230 nan 0.000 0.420 168 D N 1.326 121.761 120.400 0.057 0.000 2.549 168 D HA 0.442 5.084 4.640 0.004 0.000 0.270 168 D C 0.943 177.287 176.300 0.072 0.000 1.181 168 D CA -0.298 53.736 54.000 0.057 0.000 1.070 168 D CB 1.026 41.853 40.800 0.044 0.000 1.154 168 D HN 0.463 nan 8.370 nan 0.000 0.602 169 A N -0.443 122.414 122.820 0.061 0.000 1.917 169 A HA -0.192 4.130 4.320 0.004 0.000 0.219 169 A C 2.062 179.694 177.584 0.080 0.000 1.182 169 A CA 2.414 54.489 52.037 0.064 0.000 0.633 169 A CB -1.533 17.490 19.000 0.039 0.000 0.819 169 A HN 0.654 nan 8.150 nan 0.000 0.448 170 T N 0.183 114.782 114.554 0.075 0.000 2.746 170 T HA -0.127 4.225 4.350 0.004 0.000 0.267 170 T C 1.518 176.323 174.700 0.174 0.000 1.039 170 T CA 1.452 63.615 62.100 0.105 0.000 1.142 170 T CB -0.427 68.499 68.868 0.098 0.000 0.866 170 T HN 0.500 nan 8.240 nan 0.000 0.444 171 D N 1.053 121.536 120.400 0.138 0.000 2.104 171 D HA -0.063 4.579 4.640 0.004 0.000 0.194 171 D C 2.108 178.512 176.300 0.173 0.000 0.994 171 D CA 0.667 54.750 54.000 0.139 0.000 0.830 171 D CB -0.502 40.355 40.800 0.094 0.000 0.959 171 D HN 0.186 nan 8.370 nan 0.000 0.452 172 L N 1.018 122.337 121.223 0.160 0.000 1.970 172 L HA -0.179 4.164 4.340 0.004 0.000 0.212 172 L C 2.332 179.325 176.870 0.206 0.000 1.071 172 L CA 1.513 56.450 54.840 0.162 0.000 0.751 172 L CB -0.679 41.461 42.059 0.135 0.000 0.889 172 L HN -0.120 nan 8.230 nan 0.000 0.432 173 V N -0.601 119.457 119.914 0.240 0.000 2.343 173 V HA -0.300 3.823 4.120 0.004 0.000 0.247 173 V C 2.442 178.872 176.094 0.560 0.000 1.051 173 V CA 2.196 64.707 62.300 0.352 0.000 1.036 173 V CB -1.206 30.758 31.823 0.236 0.000 0.654 173 V HN 0.593 nan 8.190 nan 0.000 0.451 174 T N 1.453 116.342 114.554 0.558 0.000 2.701 174 T HA -0.113 4.240 4.350 0.004 0.000 0.263 174 T C 1.867 176.940 174.700 0.622 0.000 1.040 174 T CA 1.998 64.523 62.100 0.710 0.000 1.147 174 T CB -0.354 68.842 68.868 0.546 0.000 0.865 174 T HN 0.669 nan 8.240 nan 0.000 0.426 175 I N 0.157 120.931 120.570 0.340 0.000 2.493 175 I HA -0.041 4.131 4.170 0.004 0.000 0.254 175 I C 2.160 178.339 176.117 0.104 0.000 1.160 175 I CA 1.053 62.494 61.300 0.235 0.000 1.445 175 I CB -0.593 37.469 38.000 0.102 0.000 1.086 175 I HN 0.010 nan 8.210 nan 0.000 0.433 176 S N 1.713 117.434 115.700 0.035 0.000 2.469 176 S HA -0.027 4.446 4.470 0.004 0.000 0.238 176 S C 1.980 176.221 174.600 -0.599 0.000 0.998 176 S CA 1.081 59.118 58.200 -0.273 0.000 0.957 176 S CB -0.615 62.574 63.200 -0.019 0.000 0.764 176 S HN 0.777 nan 8.310 nan 0.000 0.514 177 G N 1.146 109.836 108.800 -0.184 0.000 2.535 177 G HA2 -0.010 3.952 3.960 0.004 0.000 0.218 177 G HA3 -0.010 3.952 3.960 0.004 0.000 0.218 177 G C 1.286 175.950 174.900 -0.395 0.000 1.122 177 G CA 0.622 45.471 45.100 -0.420 0.000 0.769 177 G HN 0.552 nan 8.290 nan 0.000 0.549 178 G N -0.234 108.461 108.800 -0.175 0.000 2.470 178 G HA2 -0.171 3.792 3.960 0.004 0.000 0.220 178 G HA3 -0.171 3.792 3.960 0.004 0.000 0.220 178 G C 1.213 176.043 174.900 -0.117 0.000 1.121 178 G CA 0.476 45.573 45.100 -0.006 0.000 0.766 178 G HN 0.685 nan 8.290 nan 0.000 0.553 179 H N -0.562 118.195 119.070 -0.522 0.000 2.556 179 H HA 0.078 4.637 4.556 0.005 0.000 0.273 179 H C 2.148 177.214 175.328 -0.437 0.000 1.030 179 H CA 0.354 56.103 56.048 -0.499 0.000 1.156 179 H CB 0.368 29.758 29.762 -0.620 0.000 1.326 179 H HN 0.271 nan 8.280 nan 0.000 0.609 180 T N 0.795 115.145 114.554 -0.341 0.000 3.160 180 T HA 0.076 4.428 4.350 0.004 0.000 0.257 180 T C 0.587 175.211 174.700 -0.126 0.000 1.147 180 T CA 0.150 62.096 62.100 -0.258 0.000 1.064 180 T CB -0.172 68.428 68.868 -0.446 0.000 0.949 180 T HN 0.416 nan 8.240 nan 0.000 0.526 181 I N -3.807 116.730 120.570 -0.054 0.000 3.191 181 I HA 0.795 4.967 4.170 0.004 0.000 0.313 181 I C 0.082 176.217 176.117 0.030 0.000 1.193 181 I CA -0.835 60.477 61.300 0.019 0.000 0.968 181 I CB 1.791 39.850 38.000 0.098 0.000 1.262 181 I HN 0.135 nan 8.210 nan 0.000 0.456 182 G N 1.722 110.544 108.800 0.036 0.000 2.655 182 G HA2 0.041 4.004 3.960 0.004 0.000 0.680 182 G HA3 0.041 4.004 3.960 0.004 0.000 0.680 182 G C -1.513 173.397 174.900 0.016 0.000 1.302 182 G CA -0.534 44.591 45.100 0.042 0.000 0.872 182 G HN 0.827 nan 8.290 nan 0.000 0.540 183 L N -0.306 120.942 121.223 0.042 0.000 2.283 183 L HA 0.938 5.280 4.340 0.004 0.000 0.259 183 L C 0.521 177.456 176.870 0.107 0.000 1.027 183 L CA -0.687 54.188 54.840 0.058 0.000 0.828 183 L CB 2.174 44.282 42.059 0.082 0.000 1.380 183 L HN 1.671 nan 8.230 nan 0.000 0.425 184 A N -0.447 122.474 122.820 0.168 0.000 2.488 184 A HA 0.466 4.788 4.320 0.004 0.000 0.298 184 A C -1.504 176.313 177.584 0.389 0.000 1.044 184 A CA -0.495 51.741 52.037 0.330 0.000 0.693 184 A CB 1.298 20.553 19.000 0.426 0.000 1.272 184 A HN 0.767 nan 8.150 nan 0.000 0.402 185 H N 1.170 120.387 119.070 0.246 0.000 2.562 185 H HA 0.136 4.695 4.556 0.004 0.000 0.352 185 H C 1.111 176.444 175.328 0.009 0.000 1.125 185 H CA 0.263 56.389 56.048 0.131 0.000 1.379 185 H CB 1.459 31.257 29.762 0.061 0.000 1.464 185 H HN 0.761 nan 8.280 nan 0.000 0.563 186 c N 2.280 120.551 118.600 -0.549 0.000 2.396 186 c HA -0.235 4.338 4.570 0.004 0.000 0.277 186 c C 3.031 176.729 174.090 -0.653 0.000 1.231 186 c CA 1.751 57.575 56.329 -0.842 0.000 1.775 186 c CB -1.255 40.922 42.510 -0.556 0.000 2.036 186 c HN 0.894 nan 8.230 nan 0.000 0.484 187 S N 0.532 116.182 115.700 -0.082 0.000 2.402 187 S HA -0.173 4.299 4.470 0.004 0.000 0.233 187 S C 1.595 176.165 174.600 -0.050 0.000 1.030 187 S CA 1.914 60.124 58.200 0.016 0.000 1.003 187 S CB -0.579 62.724 63.200 0.171 0.000 0.813 187 S HN 0.640 nan 8.310 nan 0.000 0.477 188 S N 1.233 116.924 115.700 -0.015 0.000 2.481 188 S HA 0.162 4.635 4.470 0.004 0.000 0.231 188 S C 0.997 175.685 174.600 0.148 0.000 0.996 188 S CA 0.989 59.204 58.200 0.025 0.000 0.942 188 S CB -0.367 62.889 63.200 0.093 0.000 0.768 188 S HN 0.911 nan 8.310 nan 0.000 0.520 189 F N 0.194 120.239 119.950 0.158 0.000 2.915 189 F HA 0.418 4.947 4.527 0.004 0.000 0.347 189 F C 1.288 177.141 175.800 0.089 0.000 1.104 189 F CA -0.556 57.545 58.000 0.169 0.000 1.126 189 F CB -0.482 38.676 39.000 0.264 0.000 1.145 189 F HN 0.107 nan 8.300 nan 0.000 0.541 190 E N 0.652 120.713 120.200 -0.231 0.000 2.209 190 E HA -0.222 4.131 4.350 0.004 0.000 0.196 190 E C 0.526 177.169 176.600 0.071 0.000 0.993 190 E CA 1.784 58.144 56.400 -0.067 0.000 0.819 190 E CB -0.578 29.109 29.700 -0.021 0.000 0.745 190 E HN 0.380 nan 8.360 nan 0.000 0.477 191 D N 0.997 121.441 120.400 0.073 0.000 2.350 191 D HA -0.060 4.582 4.640 0.004 0.000 0.216 191 D C 1.509 177.846 176.300 0.063 0.000 0.968 191 D CA 0.574 54.622 54.000 0.081 0.000 0.894 191 D CB -0.044 40.798 40.800 0.069 0.000 0.909 191 D HN 0.324 nan 8.370 nan 0.000 0.520 192 R N -0.232 120.312 120.500 0.074 0.000 2.300 192 R HA 0.201 4.544 4.340 0.004 0.000 0.199 192 R C 1.820 178.087 176.300 -0.055 0.000 0.920 192 R CA 0.135 56.267 56.100 0.054 0.000 1.046 192 R CB 0.473 30.851 30.300 0.129 0.000 0.984 192 R HN 0.196 nan 8.270 nan 0.000 0.493 193 L N -1.168 119.945 121.223 -0.183 0.000 2.445 193 L HA 0.305 4.647 4.340 0.004 0.000 0.207 193 L C -0.090 176.330 176.870 -0.750 0.000 1.053 193 L CA 0.291 54.795 54.840 -0.559 0.000 0.841 193 L CB 0.245 41.769 42.059 -0.892 0.000 1.074 193 L HN -0.078 nan 8.230 nan 0.000 0.479 194 F N 0.004 119.966 119.950 0.020 0.000 2.563 194 F HA 0.419 4.948 4.527 0.004 0.000 0.316 194 F C -1.585 174.223 175.800 0.012 0.000 1.076 194 F CA -2.180 55.826 58.000 0.010 0.000 0.921 194 F CB 0.489 39.487 39.000 -0.004 0.000 1.209 194 F HN -0.303 nan 8.300 nan 0.000 0.462 195 P HA -0.034 nan 4.420 nan 0.000 0.218 195 P C -0.124 177.257 177.300 0.134 0.000 1.152 195 P CA 1.086 64.305 63.100 0.198 0.000 0.826 195 P CB 0.630 32.398 31.700 0.113 0.000 0.790 196 R N 0.156 120.693 120.500 0.062 0.000 2.514 196 R HA 0.497 4.840 4.340 0.004 0.000 0.301 196 R C -2.505 173.782 176.300 -0.023 0.000 0.962 196 R CA -2.378 53.734 56.100 0.020 0.000 0.882 196 R CB 0.877 31.193 30.300 0.025 0.000 1.143 196 R HN -0.001 nan 8.270 nan 0.000 0.452 197 P HA -0.089 nan 4.420 nan 0.000 0.267 197 P C -0.803 176.482 177.300 -0.024 0.000 1.200 197 P CA -0.069 62.988 63.100 -0.073 0.000 0.772 197 P CB 0.491 32.147 31.700 -0.073 0.000 0.855 198 D N 3.919 124.312 120.400 -0.012 0.000 2.358 198 D HA 0.022 4.665 4.640 0.004 0.000 0.258 198 D C -1.185 175.128 176.300 0.022 0.000 1.223 198 D CA -2.043 51.968 54.000 0.019 0.000 0.886 198 D CB 0.494 41.319 40.800 0.043 0.000 1.120 198 D HN 0.212 nan 8.370 nan 0.000 0.482 199 P HA -0.139 nan 4.420 nan 0.000 0.226 199 P C 0.946 178.265 177.300 0.032 0.000 1.146 199 P CA 0.973 64.086 63.100 0.022 0.000 0.773 199 P CB -0.040 31.671 31.700 0.018 0.000 0.772 200 T N -3.160 111.420 114.554 0.042 0.000 3.067 200 T HA 0.091 4.444 4.350 0.004 0.000 0.261 200 T C 1.087 175.823 174.700 0.061 0.000 1.110 200 T CA -0.027 62.105 62.100 0.053 0.000 1.113 200 T CB -0.629 68.276 68.868 0.062 0.000 0.917 200 T HN 0.017 nan 8.240 nan 0.000 0.499 201 I N 3.867 124.479 120.570 0.070 0.000 2.471 201 I HA 0.157 4.329 4.170 0.004 0.000 0.286 201 I C 0.704 176.876 176.117 0.090 0.000 1.079 201 I CA -0.647 60.721 61.300 0.113 0.000 1.398 201 I CB 0.677 38.742 38.000 0.109 0.000 1.403 201 I HN 0.279 nan 8.210 nan 0.000 0.530 202 S N 6.281 122.038 115.700 0.096 0.000 2.560 202 S HA 0.129 4.602 4.470 0.004 0.000 0.284 202 S C -1.774 172.873 174.600 0.079 0.000 1.327 202 S CA -1.038 57.198 58.200 0.060 0.000 1.055 202 S CB 0.823 64.032 63.200 0.016 0.000 0.868 202 S HN 0.421 nan 8.310 nan 0.000 0.506 203 P HA -0.152 nan 4.420 nan 0.000 0.216 203 P C 1.495 178.817 177.300 0.037 0.000 1.157 203 P CA 1.769 64.887 63.100 0.029 0.000 0.880 203 P CB -0.321 31.390 31.700 0.017 0.000 0.791 204 T N -1.312 113.272 114.554 0.050 0.000 2.708 204 T HA -0.167 4.186 4.350 0.004 0.000 0.266 204 T C 1.496 176.259 174.700 0.105 0.000 1.037 204 T CA 1.042 63.176 62.100 0.057 0.000 1.146 204 T CB -1.067 67.829 68.868 0.047 0.000 0.865 204 T HN -0.005 nan 8.240 nan 0.000 0.435 205 F N 1.799 121.713 119.950 -0.059 0.000 2.134 205 F HA 0.041 4.570 4.527 0.004 0.000 0.299 205 F C 1.987 177.747 175.800 -0.067 0.000 1.097 205 F CA 0.176 58.130 58.000 -0.075 0.000 1.264 205 F CB -0.784 38.158 39.000 -0.096 0.000 1.001 205 F HN 0.021 nan 8.300 nan 0.000 0.479 206 L N -0.077 121.128 121.223 -0.030 0.000 2.012 206 L HA -0.228 4.114 4.340 0.004 0.000 0.210 206 L C 2.429 179.219 176.870 -0.133 0.000 1.073 206 L CA 2.302 57.068 54.840 -0.123 0.000 0.748 206 L CB -1.278 40.749 42.059 -0.052 0.000 0.891 206 L HN 0.077 nan 8.230 nan 0.000 0.431 207 S N -0.418 115.241 115.700 -0.070 0.000 2.370 207 S HA -0.258 4.215 4.470 0.004 0.000 0.226 207 S C 2.051 176.606 174.600 -0.075 0.000 1.033 207 S CA 1.616 59.784 58.200 -0.052 0.000 1.011 207 S CB -0.514 62.674 63.200 -0.020 0.000 0.852 207 S HN 0.510 nan 8.310 nan 0.000 0.457 208 R N 1.050 121.487 120.500 -0.105 0.000 2.073 208 R HA -0.036 4.307 4.340 0.004 0.000 0.234 208 R C 2.192 178.379 176.300 -0.188 0.000 1.134 208 R CA 1.264 57.288 56.100 -0.127 0.000 0.952 208 R CB -0.416 29.814 30.300 -0.116 0.000 0.850 208 R HN 0.364 nan 8.270 nan 0.000 0.433 209 L N 0.732 121.757 121.223 -0.330 0.000 2.083 209 L HA -0.156 4.187 4.340 0.004 0.000 0.209 209 L C 2.501 179.326 176.870 -0.075 0.000 1.083 209 L CA 1.104 55.787 54.840 -0.262 0.000 0.752 209 L CB -0.419 41.401 42.059 -0.398 0.000 0.899 209 L HN 0.120 nan 8.230 nan 0.000 0.433 210 K N -0.022 120.327 120.400 -0.086 0.000 2.211 210 K HA -0.087 4.236 4.320 0.004 0.000 0.203 210 K C 2.212 178.833 176.600 0.035 0.000 1.050 210 K CA 0.871 57.153 56.287 -0.009 0.000 0.945 210 K CB -0.164 32.324 32.500 -0.021 0.000 0.732 210 K HN 0.251 nan 8.250 nan 0.000 0.451 211 R N 0.089 120.588 120.500 -0.002 0.000 2.073 211 R HA -0.017 4.325 4.340 0.004 0.000 0.229 211 R C 2.210 178.520 176.300 0.017 0.000 1.120 211 R CA 1.308 57.413 56.100 0.007 0.000 0.967 211 R CB -0.781 29.514 30.300 -0.010 0.000 0.862 211 R HN 0.191 nan 8.270 nan 0.000 0.436 212 T N 0.311 114.874 114.554 0.014 0.000 2.777 212 T HA -0.080 4.273 4.350 0.004 0.000 0.266 212 T C 1.155 175.882 174.700 0.044 0.000 1.040 212 T CA 1.009 63.128 62.100 0.032 0.000 1.141 212 T CB -0.024 68.875 68.868 0.052 0.000 0.868 212 T HN 0.244 nan 8.240 nan 0.000 0.444 213 c N 2.291 120.939 118.600 0.079 0.000 2.621 213 c HA 0.381 4.954 4.570 0.004 0.000 0.272 213 c C -1.590 172.621 174.090 0.202 0.000 1.119 213 c CA -1.668 54.717 56.329 0.092 0.000 1.593 213 c CB 0.532 43.082 42.510 0.067 0.000 1.749 213 c HN 0.334 nan 8.230 nan 0.000 0.420 214 P HA -0.045 nan 4.420 nan 0.000 0.219 214 P C 0.569 177.927 177.300 0.096 0.000 1.146 214 P CA 1.616 64.796 63.100 0.132 0.000 0.808 214 P CB 0.379 32.102 31.700 0.038 0.000 0.779 215 A N -2.323 120.440 122.820 -0.095 0.000 2.602 215 A HA 0.486 4.809 4.320 0.004 0.000 0.290 215 A C -0.996 176.290 177.584 -0.496 0.000 1.114 215 A CA -0.790 50.889 52.037 -0.597 0.000 0.683 215 A CB 0.708 19.484 19.000 -0.374 0.000 1.281 215 A HN -0.186 nan 8.150 nan 0.000 0.416 216 K N -0.127 119.849 120.400 -0.706 0.000 2.436 216 K HA 0.403 4.725 4.320 0.004 0.000 0.275 216 K C 1.073 177.582 176.600 -0.152 0.000 0.999 216 K CA 1.500 57.632 56.287 -0.258 0.000 0.980 216 K CB 0.196 32.576 32.500 -0.201 0.000 0.919 216 K HN 2.068 nan 8.250 nan 0.000 0.484 217 G N 2.228 110.987 108.800 -0.069 0.000 2.157 217 G HA2 -0.217 3.745 3.960 0.004 0.000 0.239 217 G HA3 -0.217 3.745 3.960 0.004 0.000 0.239 217 G C 0.002 174.886 174.900 -0.027 0.000 0.982 217 G CA 0.182 45.260 45.100 -0.036 0.000 0.650 217 G HN 0.653 nan 8.290 nan 0.000 0.527 218 T N 1.120 115.639 114.554 -0.058 0.000 2.853 218 T HA 0.384 4.737 4.350 0.004 0.000 0.298 218 T C 0.076 174.720 174.700 -0.094 0.000 0.978 218 T CA 0.763 62.822 62.100 -0.068 0.000 1.152 218 T CB 1.376 70.198 68.868 -0.076 0.000 0.914 218 T HN 0.309 nan 8.240 nan 0.000 0.539 219 D N 3.104 123.487 120.400 -0.028 0.000 2.500 219 D HA 0.320 4.963 4.640 0.004 0.000 0.219 219 D C 0.108 176.378 176.300 -0.050 0.000 1.137 219 D CA -0.406 53.625 54.000 0.052 0.000 0.946 219 D CB 0.140 41.018 40.800 0.131 0.000 1.022 219 D HN 0.436 nan 8.370 nan 0.000 0.518 220 R N 2.131 122.465 120.500 -0.276 0.000 2.690 220 R HA 0.504 4.846 4.340 0.004 0.000 0.269 220 R C -1.148 175.022 176.300 -0.216 0.000 1.037 220 R CA -0.789 55.221 56.100 -0.150 0.000 0.877 220 R CB 1.117 31.367 30.300 -0.083 0.000 1.255 220 R HN 0.231 nan 8.270 nan 0.000 0.467 221 R N 0.474 120.960 120.500 -0.024 0.000 2.892 221 R HA 0.568 4.910 4.340 0.004 0.000 0.265 221 R C -0.932 175.419 176.300 0.085 0.000 1.025 221 R CA -0.859 55.279 56.100 0.062 0.000 0.982 221 R CB 2.413 32.785 30.300 0.120 0.000 1.185 221 R HN 0.610 nan 8.270 nan 0.000 0.484 222 T N -0.210 114.418 114.554 0.123 0.000 2.841 222 T HA 0.421 4.773 4.350 0.004 0.000 0.296 222 T C -0.954 173.761 174.700 0.026 0.000 1.166 222 T CA -0.713 61.425 62.100 0.063 0.000 1.007 222 T CB 1.473 70.365 68.868 0.041 0.000 1.253 222 T HN 0.389 nan 8.240 nan 0.000 0.511 223 V N 2.496 122.402 119.914 -0.013 0.000 2.775 223 V HA 0.477 4.600 4.120 0.004 0.000 0.299 223 V C 1.333 177.367 176.094 -0.101 0.000 1.062 223 V CA -0.182 62.096 62.300 -0.035 0.000 1.063 223 V CB 0.556 32.365 31.823 -0.023 0.000 0.994 223 V HN 0.918 nan 8.190 nan 0.000 0.483 224 L N 0.616 121.758 121.223 -0.136 0.000 2.179 224 L HA 0.175 4.518 4.340 0.004 0.000 0.208 224 L C 1.005 177.782 176.870 -0.156 0.000 1.096 224 L CA 1.186 55.879 54.840 -0.245 0.000 0.779 224 L CB -0.019 41.852 42.059 -0.314 0.000 0.922 224 L HN 0.874 nan 8.230 nan 0.000 0.443 225 D N -0.606 119.736 120.400 -0.096 0.000 2.461 225 D HA 0.074 4.717 4.640 0.004 0.000 0.240 225 D C 0.732 176.986 176.300 -0.077 0.000 1.094 225 D CA -0.098 53.853 54.000 -0.082 0.000 0.868 225 D CB 1.903 42.665 40.800 -0.063 0.000 1.062 225 D HN -0.200 nan 8.370 nan 0.000 0.530 226 V N 5.184 125.042 119.914 -0.093 0.000 2.594 226 V HA -0.196 3.926 4.120 0.004 0.000 0.253 226 V C 2.075 178.132 176.094 -0.062 0.000 1.069 226 V CA 1.833 64.100 62.300 -0.054 0.000 1.082 226 V CB -0.114 31.688 31.823 -0.035 0.000 0.680 226 V HN 0.467 nan 8.190 nan 0.000 0.469 227 R N 0.335 120.780 120.500 -0.090 0.000 2.052 227 R HA 0.017 4.359 4.340 0.004 0.000 0.226 227 R C 0.909 177.181 176.300 -0.047 0.000 1.145 227 R CA 1.586 57.642 56.100 -0.074 0.000 0.952 227 R CB -0.294 29.948 30.300 -0.096 0.000 0.847 227 R HN 0.630 nan 8.270 nan 0.000 0.431 228 T N -1.920 112.607 114.554 -0.045 0.000 3.226 228 T HA 0.315 4.668 4.350 0.004 0.000 0.378 228 T C -2.494 172.195 174.700 -0.018 0.000 1.380 228 T CA -1.887 60.200 62.100 -0.022 0.000 1.396 228 T CB 1.650 70.512 68.868 -0.010 0.000 1.044 228 T HN -0.165 nan 8.240 nan 0.000 0.586 229 P HA -0.119 nan 4.420 nan 0.000 0.216 229 P C 1.034 178.339 177.300 0.008 0.000 1.154 229 P CA 1.208 64.302 63.100 -0.009 0.000 0.865 229 P CB 0.120 31.819 31.700 -0.003 0.000 0.789 230 N N -2.036 116.676 118.700 0.021 0.000 2.184 230 N HA 0.086 4.828 4.740 0.004 0.000 0.206 230 N C -0.451 175.097 175.510 0.063 0.000 1.151 230 N CA 0.182 53.257 53.050 0.041 0.000 0.878 230 N CB 0.817 39.326 38.487 0.037 0.000 1.014 230 N HN 0.026 nan 8.380 nan 0.000 0.512 231 V N 1.760 121.710 119.914 0.059 0.000 2.398 231 V HA 0.293 4.415 4.120 0.004 0.000 0.286 231 V C -0.370 175.797 176.094 0.122 0.000 1.026 231 V CA -0.926 61.432 62.300 0.096 0.000 0.868 231 V CB 1.394 33.264 31.823 0.078 0.000 0.982 231 V HN 0.039 nan 8.190 nan 0.000 0.443 232 F N 6.695 126.680 119.950 0.058 0.000 2.438 232 F HA 0.502 5.030 4.527 0.003 0.000 0.360 232 F C 0.204 176.148 175.800 0.240 0.000 1.118 232 F CA -0.012 58.030 58.000 0.070 0.000 1.164 232 F CB -0.026 38.942 39.000 -0.054 0.000 1.131 232 F HN 0.808 nan 8.300 nan 0.000 0.527 233 D N 2.522 122.926 120.400 0.007 0.000 2.851 233 D HA 0.107 4.750 4.640 0.004 0.000 0.339 233 D C -0.315 176.069 176.300 0.139 0.000 1.347 233 D CA -0.697 53.459 54.000 0.261 0.000 0.888 233 D CB 0.064 40.951 40.800 0.146 0.000 1.431 233 D HN 0.246 nan 8.370 nan 0.000 0.509 234 N N -0.342 118.430 118.700 0.119 0.000 2.398 234 N HA -0.066 4.677 4.740 0.004 0.000 0.188 234 N C 0.635 176.146 175.510 0.002 0.000 1.122 234 N CA 0.015 53.099 53.050 0.057 0.000 0.866 234 N CB -0.029 38.502 38.487 0.074 0.000 0.970 234 N HN 0.203 nan 8.380 nan 0.000 0.462 235 K N 0.568 120.938 120.400 -0.050 0.000 2.286 235 K HA -0.188 4.134 4.320 0.004 0.000 0.203 235 K C 1.347 177.852 176.600 -0.158 0.000 1.045 235 K CA 0.684 56.917 56.287 -0.091 0.000 0.935 235 K CB -0.683 31.770 32.500 -0.079 0.000 0.737 235 K HN 0.444 nan 8.250 nan 0.000 0.460 236 Y N 0.512 120.598 120.300 -0.357 0.000 2.181 236 Y HA -0.283 4.268 4.550 0.003 0.000 0.288 236 Y C 1.819 177.397 175.900 -0.538 0.000 1.146 236 Y CA 1.513 59.315 58.100 -0.496 0.000 1.164 236 Y CB -0.448 37.605 38.460 -0.677 0.000 0.982 236 Y HN -0.000 nan 8.280 nan 0.000 0.515 237 Y N -0.195 119.876 120.300 -0.381 0.000 2.263 237 Y HA -0.147 4.405 4.550 0.003 0.000 0.292 237 Y C 2.401 178.055 175.900 -0.411 0.000 1.130 237 Y CA 1.486 59.331 58.100 -0.425 0.000 1.179 237 Y CB -0.567 37.766 38.460 -0.211 0.000 0.998 237 Y HN 0.119 nan 8.280 nan 0.000 0.532 238 I N -0.167 120.284 120.570 -0.199 0.000 2.394 238 I HA -0.271 3.902 4.170 0.004 0.000 0.251 238 I C 1.674 177.586 176.117 -0.343 0.000 1.136 238 I CA 1.197 62.357 61.300 -0.233 0.000 1.425 238 I CB -0.308 37.594 38.000 -0.162 0.000 1.079 238 I HN 0.202 nan 8.210 nan 0.000 0.425 239 D N 1.075 121.235 120.400 -0.400 0.000 2.097 239 D HA -0.144 4.498 4.640 0.004 0.000 0.195 239 D C 2.385 178.364 176.300 -0.534 0.000 0.989 239 D CA 1.282 55.003 54.000 -0.466 0.000 0.827 239 D CB -0.330 40.179 40.800 -0.484 0.000 0.966 239 D HN 0.297 nan 8.370 nan 0.000 0.456 240 L N 0.608 121.467 121.223 -0.606 0.000 2.042 240 L HA -0.157 4.186 4.340 0.004 0.000 0.210 240 L C 2.607 179.011 176.870 -0.777 0.000 1.076 240 L CA 0.736 55.232 54.840 -0.573 0.000 0.749 240 L CB -0.584 41.162 42.059 -0.521 0.000 0.893 240 L HN -0.053 nan 8.230 nan 0.000 0.432 241 V N -0.130 119.240 119.914 -0.908 0.000 2.490 241 V HA -0.233 3.889 4.120 0.004 0.000 0.250 241 V C 1.684 177.356 176.094 -0.703 0.000 1.061 241 V CA 1.539 63.106 62.300 -1.222 0.000 1.064 241 V CB -0.605 30.812 31.823 -0.677 0.000 0.670 241 V HN 0.506 nan 8.190 nan 0.000 0.461 242 N N 0.246 118.659 118.700 -0.479 0.000 2.314 242 N HA 0.099 4.842 4.740 0.004 0.000 0.200 242 N C 0.313 175.651 175.510 -0.288 0.000 1.135 242 N CA -0.001 52.857 53.050 -0.319 0.000 0.835 242 N CB 0.079 38.392 38.487 -0.289 0.000 0.989 242 N HN 0.441 nan 8.380 nan 0.000 0.478 243 R N 0.521 120.843 120.500 -0.298 0.000 3.422 243 R HA -0.163 4.179 4.340 0.004 0.000 0.267 243 R C -0.646 175.477 176.300 -0.295 0.000 1.074 243 R CA 0.616 56.604 56.100 -0.185 0.000 0.718 243 R CB -1.885 28.381 30.300 -0.055 0.000 1.157 243 R HN 0.428 nan 8.270 nan 0.000 0.440 244 E N -0.317 119.569 120.200 -0.524 0.000 2.869 244 E HA 0.149 4.501 4.350 0.004 0.000 0.207 244 E C 0.698 176.791 176.600 -0.845 0.000 0.986 244 E CA 0.048 55.806 56.400 -1.068 0.000 1.131 244 E CB 1.160 30.147 29.700 -1.188 0.000 1.098 244 E HN 0.407 nan 8.360 nan 0.000 0.459 245 G N 0.797 109.346 108.800 -0.417 0.000 2.415 245 G HA2 0.185 4.147 3.960 0.004 0.000 0.269 245 G HA3 0.185 4.147 3.960 0.004 0.000 0.269 245 G C 0.557 175.404 174.900 -0.089 0.000 1.209 245 G CA -0.459 44.480 45.100 -0.269 0.000 0.835 245 G HN 0.119 nan 8.290 nan 0.000 0.534 246 L N 1.958 123.077 121.223 -0.174 0.000 2.044 246 L HA 0.326 4.668 4.340 0.004 0.000 0.205 246 L C 0.643 177.465 176.870 -0.080 0.000 1.075 246 L CA 1.106 55.782 54.840 -0.272 0.000 0.747 246 L CB -0.475 41.178 42.059 -0.678 0.000 0.903 246 L HN 0.401 nan 8.230 nan 0.000 0.435 247 F N -2.143 117.843 119.950 0.060 0.000 2.408 247 F HA 0.307 4.836 4.527 0.003 0.000 0.325 247 F C 1.495 177.360 175.800 0.109 0.000 1.082 247 F CA -1.025 57.044 58.000 0.115 0.000 1.032 247 F CB 0.066 39.145 39.000 0.132 0.000 1.259 247 F HN -0.419 nan 8.300 nan 0.000 0.503 248 V N 0.673 120.785 119.914 0.330 0.000 2.427 248 V HA -0.231 3.891 4.120 0.004 0.000 0.248 248 V C 2.115 178.329 176.094 0.201 0.000 1.051 248 V CA 2.236 64.657 62.300 0.203 0.000 1.048 248 V CB -0.918 30.994 31.823 0.148 0.000 0.666 248 V HN 0.884 nan 8.190 nan 0.000 0.456 249 S N -0.599 115.249 115.700 0.247 0.000 2.442 249 S HA -0.196 4.276 4.470 0.004 0.000 0.236 249 S C 1.470 176.223 174.600 0.254 0.000 1.007 249 S CA 1.446 59.780 58.200 0.224 0.000 0.965 249 S CB -0.327 63.003 63.200 0.218 0.000 0.773 249 S HN 0.617 nan 8.310 nan 0.000 0.504 250 D N 1.241 121.820 120.400 0.297 0.000 2.232 250 D HA 0.014 4.657 4.640 0.004 0.000 0.220 250 D C 2.140 178.509 176.300 0.114 0.000 0.982 250 D CA 1.046 55.197 54.000 0.251 0.000 0.892 250 D CB -0.713 40.211 40.800 0.207 0.000 1.040 250 D HN 0.328 nan 8.370 nan 0.000 0.463 251 Q N 1.102 120.953 119.800 0.084 0.000 2.135 251 Q HA -0.162 4.180 4.340 0.004 0.000 0.204 251 Q C 1.255 177.321 176.000 0.109 0.000 0.981 251 Q CA 1.492 57.332 55.803 0.062 0.000 0.856 251 Q CB -0.412 28.363 28.738 0.061 0.000 0.902 251 Q HN 0.098 nan 8.270 nan 0.000 0.425 252 D N -1.113 119.353 120.400 0.109 0.000 2.309 252 D HA -0.100 4.542 4.640 0.004 0.000 0.212 252 D C 1.427 177.781 176.300 0.089 0.000 0.968 252 D CA 0.516 54.570 54.000 0.090 0.000 0.882 252 D CB -0.006 40.844 40.800 0.083 0.000 0.918 252 D HN 0.335 nan 8.370 nan 0.000 0.503 253 L N -0.705 120.590 121.223 0.120 0.000 2.131 253 L HA -0.115 4.228 4.340 0.004 0.000 0.210 253 L C 1.923 178.879 176.870 0.144 0.000 1.092 253 L CA 0.614 55.531 54.840 0.129 0.000 0.759 253 L CB -0.350 41.809 42.059 0.166 0.000 0.903 253 L HN 0.135 nan 8.230 nan 0.000 0.435 254 F N 0.334 120.273 119.950 -0.019 0.000 2.335 254 F HA -0.072 4.458 4.527 0.004 0.000 0.296 254 F C 2.369 178.152 175.800 -0.029 0.000 1.091 254 F CA 1.187 59.164 58.000 -0.038 0.000 1.399 254 F CB -0.296 38.661 39.000 -0.071 0.000 1.067 254 F HN -0.103 nan 8.300 nan 0.000 0.520 255 T N 0.094 114.610 114.554 -0.063 0.000 2.770 255 T HA -0.154 4.198 4.350 0.004 0.000 0.263 255 T C 1.012 175.630 174.700 -0.138 0.000 1.039 255 T CA 0.642 62.661 62.100 -0.136 0.000 1.142 255 T CB -0.531 68.323 68.868 -0.023 0.000 0.868 255 T HN 0.092 nan 8.240 nan 0.000 0.435 256 N N 1.315 119.975 118.700 -0.068 0.000 2.468 256 N HA 0.149 4.891 4.740 0.004 0.000 0.265 256 N C 1.177 176.639 175.510 -0.081 0.000 1.199 256 N CA 0.287 53.306 53.050 -0.052 0.000 0.928 256 N CB 1.188 39.671 38.487 -0.007 0.000 1.059 256 N HN 0.232 nan 8.380 nan 0.000 0.467 257 A N 5.213 127.985 122.820 -0.079 0.000 1.940 257 A HA -0.148 4.175 4.320 0.004 0.000 0.219 257 A C 2.163 179.711 177.584 -0.061 0.000 1.176 257 A CA 1.115 53.103 52.037 -0.083 0.000 0.631 257 A CB -0.358 18.602 19.000 -0.066 0.000 0.814 257 A HN 0.830 nan 8.150 nan 0.000 0.446 258 I N -0.021 120.526 120.570 -0.038 0.000 2.252 258 I HA -0.198 3.975 4.170 0.004 0.000 0.245 258 I C 2.639 178.742 176.117 -0.024 0.000 1.102 258 I CA 1.821 63.107 61.300 -0.024 0.000 1.385 258 I CB -0.484 37.512 38.000 -0.007 0.000 1.064 258 I HN 0.512 nan 8.210 nan 0.000 0.414 259 T N -1.843 112.702 114.554 -0.015 0.000 3.051 259 T HA -0.006 4.346 4.350 0.004 0.000 0.255 259 T C 1.906 176.597 174.700 -0.014 0.000 1.085 259 T CA 0.047 62.147 62.100 -0.001 0.000 1.109 259 T CB -0.228 68.666 68.868 0.044 0.000 0.921 259 T HN 0.211 nan 8.240 nan 0.000 0.488 260 R N 2.058 122.535 120.500 -0.039 0.000 2.112 260 R HA -0.104 4.238 4.340 0.004 0.000 0.242 260 R C -0.807 175.478 176.300 -0.025 0.000 1.137 260 R CA 1.987 58.057 56.100 -0.049 0.000 0.944 260 R CB -1.268 28.909 30.300 -0.205 0.000 0.857 260 R HN 0.330 nan 8.270 nan 0.000 0.435 261 P HA -0.140 nan 4.420 nan 0.000 0.216 261 P C 1.040 178.251 177.300 -0.148 0.000 1.150 261 P CA 1.471 64.523 63.100 -0.080 0.000 0.837 261 P CB -0.047 31.607 31.700 -0.078 0.000 0.786 262 I N -1.699 118.749 120.570 -0.203 0.000 2.353 262 I HA -0.167 4.005 4.170 0.004 0.000 0.248 262 I C 2.163 177.950 176.117 -0.550 0.000 1.119 262 I CA 1.062 62.095 61.300 -0.445 0.000 1.417 262 I CB -0.847 36.917 38.000 -0.393 0.000 1.078 262 I HN -0.179 nan 8.210 nan 0.000 0.421 263 V N 1.136 120.926 119.914 -0.207 0.000 2.295 263 V HA -0.277 3.846 4.120 0.004 0.000 0.246 263 V C 2.408 178.453 176.094 -0.081 0.000 1.049 263 V CA 2.007 64.277 62.300 -0.050 0.000 1.024 263 V CB -0.717 31.222 31.823 0.193 0.000 0.648 263 V HN 0.440 nan 8.190 nan 0.000 0.447 264 E N -0.311 119.879 120.200 -0.017 0.000 2.110 264 E HA -0.259 4.094 4.350 0.004 0.000 0.193 264 E C 2.422 178.983 176.600 -0.065 0.000 0.988 264 E CA 1.205 57.603 56.400 -0.004 0.000 0.804 264 E CB -0.198 29.531 29.700 0.048 0.000 0.745 264 E HN 0.450 nan 8.360 nan 0.000 0.458 265 R N 0.035 120.444 120.500 -0.151 0.000 2.073 265 R HA -0.129 4.214 4.340 0.004 0.000 0.234 265 R C 2.044 178.348 176.300 0.006 0.000 1.134 265 R CA 1.297 57.325 56.100 -0.120 0.000 0.952 265 R CB -0.077 30.086 30.300 -0.228 0.000 0.850 265 R HN 0.108 nan 8.270 nan 0.000 0.433 266 F N 0.367 120.174 119.950 -0.239 0.000 2.234 266 F HA 0.023 4.552 4.527 0.003 0.000 0.299 266 F C 2.375 178.019 175.800 -0.259 0.000 1.087 266 F CA 0.620 58.398 58.000 -0.370 0.000 1.340 266 F CB -1.085 37.292 39.000 -1.038 0.000 1.031 266 F HN 0.134 nan 8.300 nan 0.000 0.500 267 A N -0.364 122.455 122.820 -0.001 0.000 1.930 267 A HA -0.195 4.127 4.320 0.004 0.000 0.217 267 A C 2.142 179.723 177.584 -0.005 0.000 1.175 267 A CA 1.418 53.462 52.037 0.012 0.000 0.627 267 A CB -0.660 18.322 19.000 -0.029 0.000 0.815 267 A HN 0.434 nan 8.150 nan 0.000 0.443 268 Q N -1.216 118.585 119.800 0.001 0.000 2.212 268 Q HA 0.085 4.428 4.340 0.004 0.000 0.199 268 Q C 0.393 176.396 176.000 0.007 0.000 0.950 268 Q CA 0.934 56.736 55.803 -0.001 0.000 0.863 268 Q CB 0.199 28.936 28.738 -0.001 0.000 0.944 268 Q HN 0.446 nan 8.270 nan 0.000 0.465 269 S N -0.448 115.272 115.700 0.034 0.000 2.779 269 S HA 0.128 4.601 4.470 0.004 0.000 0.293 269 S C 0.062 174.668 174.600 0.010 0.000 1.150 269 S CA -0.606 57.608 58.200 0.023 0.000 1.057 269 S CB 1.523 64.751 63.200 0.048 0.000 1.021 269 S HN 0.273 nan 8.310 nan 0.000 0.485 270 Q N 2.999 122.749 119.800 -0.085 0.000 2.167 270 Q HA -0.141 4.201 4.340 0.004 0.000 0.202 270 Q C 1.717 177.528 176.000 -0.316 0.000 0.970 270 Q CA 1.698 57.367 55.803 -0.223 0.000 0.855 270 Q CB -0.097 28.403 28.738 -0.396 0.000 0.911 270 Q HN 0.770 nan 8.270 nan 0.000 0.438 271 Q N 0.790 120.478 119.800 -0.187 0.000 2.084 271 Q HA -0.180 4.162 4.340 0.004 0.000 0.202 271 Q C 1.213 177.220 176.000 0.012 0.000 0.978 271 Q CA 2.126 57.880 55.803 -0.082 0.000 0.844 271 Q CB -0.165 28.559 28.738 -0.022 0.000 0.898 271 Q HN 0.458 nan 8.270 nan 0.000 0.426 272 D N -0.765 119.666 120.400 0.052 0.000 2.144 272 D HA -0.144 4.499 4.640 0.004 0.000 0.199 272 D C 1.443 177.761 176.300 0.030 0.000 0.984 272 D CA 0.909 54.993 54.000 0.140 0.000 0.834 272 D CB -0.346 40.615 40.800 0.269 0.000 0.955 272 D HN 0.300 nan 8.370 nan 0.000 0.465 273 F N 0.930 120.649 119.950 -0.384 0.000 2.084 273 F HA -0.155 4.373 4.527 0.002 0.000 0.296 273 F C 1.993 177.719 175.800 -0.123 0.000 1.111 273 F CA 0.997 58.468 58.000 -0.881 0.000 1.224 273 F CB -0.635 37.960 39.000 -0.675 0.000 0.991 273 F HN -0.183 nan 8.300 nan 0.000 0.471 274 F N 1.583 121.265 119.950 -0.447 0.000 2.126 274 F HA -0.172 4.357 4.527 0.003 0.000 0.299 274 F C 2.522 178.218 175.800 -0.172 0.000 1.096 274 F CA 1.639 59.419 58.000 -0.366 0.000 1.255 274 F CB -1.414 37.502 39.000 -0.141 0.000 0.997 274 F HN 0.168 nan 8.300 nan 0.000 0.479 275 E N -0.721 119.541 120.200 0.104 0.000 2.110 275 E HA -0.260 4.093 4.350 0.004 0.000 0.193 275 E C 2.067 178.693 176.600 0.042 0.000 0.988 275 E CA 1.230 57.675 56.400 0.074 0.000 0.804 275 E CB -0.221 29.528 29.700 0.081 0.000 0.745 275 E HN 0.260 nan 8.360 nan 0.000 0.458 276 Q N 0.149 119.969 119.800 0.034 0.000 2.245 276 Q HA -0.107 4.236 4.340 0.004 0.000 0.201 276 Q C 1.630 177.638 176.000 0.013 0.000 0.955 276 Q CA 0.803 56.649 55.803 0.071 0.000 0.870 276 Q CB -0.244 28.622 28.738 0.214 0.000 0.945 276 Q HN 0.243 nan 8.270 nan 0.000 0.461 277 F N -0.103 119.711 119.950 -0.227 0.000 2.095 277 F HA -0.042 4.489 4.527 0.006 0.000 0.298 277 F C 1.913 177.481 175.800 -0.387 0.000 1.104 277 F CA 2.088 59.916 58.000 -0.287 0.000 1.232 277 F CB -0.730 37.978 39.000 -0.487 0.000 0.987 277 F HN 0.194 nan 8.300 nan 0.000 0.475 278 G N -0.365 108.208 108.800 -0.377 0.000 2.450 278 G HA2 -0.215 3.748 3.960 0.004 0.000 0.220 278 G HA3 -0.215 3.748 3.960 0.004 0.000 0.220 278 G C 1.685 176.346 174.900 -0.399 0.000 1.130 278 G CA 1.269 45.995 45.100 -0.624 0.000 0.760 278 G HN 0.370 nan 8.290 nan 0.000 0.557 279 V N 0.742 120.530 119.914 -0.209 0.000 2.302 279 V HA -0.122 4.000 4.120 0.004 0.000 0.243 279 V C 3.061 179.071 176.094 -0.140 0.000 1.036 279 V CA 2.144 64.382 62.300 -0.104 0.000 1.020 279 V CB -0.526 31.284 31.823 -0.021 0.000 0.657 279 V HN 0.357 nan 8.190 nan 0.000 0.453 280 S N -0.079 115.521 115.700 -0.167 0.000 2.368 280 S HA -0.132 4.340 4.470 0.004 0.000 0.224 280 S C 1.898 176.355 174.600 -0.239 0.000 1.029 280 S CA 1.508 59.625 58.200 -0.137 0.000 0.988 280 S CB -0.341 62.834 63.200 -0.042 0.000 0.838 280 S HN 0.439 nan 8.310 nan 0.000 0.462 281 I N 2.064 122.324 120.570 -0.518 0.000 2.493 281 I HA -0.011 4.161 4.170 0.004 0.000 0.254 281 I C 2.130 178.101 176.117 -0.243 0.000 1.160 281 I CA 0.686 61.682 61.300 -0.507 0.000 1.445 281 I CB -0.797 36.586 38.000 -1.028 0.000 1.086 281 I HN 0.274 nan 8.210 nan 0.000 0.433 282 G N -0.082 108.576 108.800 -0.237 0.000 2.408 282 G HA2 -0.218 3.745 3.960 0.004 0.000 0.217 282 G HA3 -0.218 3.745 3.960 0.004 0.000 0.217 282 G C 1.782 176.658 174.900 -0.040 0.000 1.150 282 G CA 0.560 45.624 45.100 -0.060 0.000 0.776 282 G HN 0.337 nan 8.290 nan 0.000 0.542 283 K N -0.455 119.906 120.400 -0.065 0.000 2.057 283 K HA 0.100 4.422 4.320 0.004 0.000 0.206 283 K C 2.454 179.012 176.600 -0.069 0.000 1.050 283 K CA 1.064 57.319 56.287 -0.053 0.000 0.935 283 K CB -0.262 32.214 32.500 -0.040 0.000 0.715 283 K HN 0.284 nan 8.250 nan 0.000 0.439 284 M N 0.590 120.146 119.600 -0.074 0.000 2.108 284 M HA -0.110 4.372 4.480 0.004 0.000 0.261 284 M C 1.783 178.010 176.300 -0.122 0.000 1.066 284 M CA 1.999 57.240 55.300 -0.097 0.000 1.107 284 M CB -0.355 32.231 32.600 -0.024 0.000 1.356 284 M HN 0.228 nan 8.290 nan 0.000 0.406 285 G N -0.203 108.573 108.800 -0.040 0.000 2.708 285 G HA2 -0.123 3.839 3.960 0.004 0.000 0.210 285 G HA3 -0.123 3.839 3.960 0.004 0.000 0.210 285 G C 0.893 175.810 174.900 0.029 0.000 1.141 285 G CA 0.174 45.314 45.100 0.066 0.000 0.788 285 G HN 0.654 nan 8.290 nan 0.000 0.531 286 Q N -0.578 119.196 119.800 -0.043 0.000 2.139 286 Q HA 0.308 4.650 4.340 0.004 0.000 0.219 286 Q C 0.391 176.337 176.000 -0.090 0.000 0.805 286 Q CA -0.345 55.421 55.803 -0.062 0.000 1.024 286 Q CB 0.707 29.405 28.738 -0.067 0.000 1.163 286 Q HN 0.389 nan 8.270 nan 0.000 0.485 287 M N 1.190 120.715 119.600 -0.126 0.000 2.238 287 M HA 0.143 4.625 4.480 0.004 0.000 0.350 287 M C 0.015 176.238 176.300 -0.129 0.000 1.321 287 M CA 0.464 55.669 55.300 -0.158 0.000 1.097 287 M CB 0.287 32.726 32.600 -0.268 0.000 1.713 287 M HN 0.138 nan 8.290 nan 0.000 0.455 288 R N 0.119 120.555 120.500 -0.107 0.000 3.109 288 R HA -0.150 4.193 4.340 0.004 0.000 0.241 288 R C -0.456 175.800 176.300 -0.073 0.000 0.882 288 R CA 0.125 56.174 56.100 -0.085 0.000 0.604 288 R CB -2.130 28.118 30.300 -0.086 0.000 1.040 288 R HN 0.643 nan 8.270 nan 0.000 0.480 289 V N -1.414 118.457 119.914 -0.071 0.000 2.953 289 V HA 0.456 4.578 4.120 0.004 0.000 0.304 289 V C 0.827 176.884 176.094 -0.063 0.000 1.073 289 V CA -0.840 61.420 62.300 -0.066 0.000 1.064 289 V CB 1.516 33.294 31.823 -0.076 0.000 1.047 289 V HN 0.135 nan 8.190 nan 0.000 0.478 290 R N 2.111 122.574 120.500 -0.060 0.000 2.265 290 R HA 0.600 4.942 4.340 0.004 0.000 0.319 290 R C -0.302 175.959 176.300 -0.066 0.000 1.006 290 R CA -0.219 55.849 56.100 -0.055 0.000 0.880 290 R CB 1.181 31.453 30.300 -0.046 0.000 1.077 290 R HN 0.943 nan 8.270 nan 0.000 0.454 291 T N 1.005 115.525 114.554 -0.056 0.000 2.856 291 T HA 0.244 4.596 4.350 0.004 0.000 0.283 291 T C 0.872 175.556 174.700 -0.027 0.000 1.008 291 T CA 0.086 62.152 62.100 -0.057 0.000 0.997 291 T CB 1.704 70.541 68.868 -0.052 0.000 0.992 291 T HN 0.744 nan 8.240 nan 0.000 0.454 292 S N 3.053 118.748 115.700 -0.007 0.000 4.158 292 S HA -0.376 4.097 4.470 0.004 0.000 0.538 292 S C 1.119 175.725 174.600 0.010 0.000 1.651 292 S CA 1.979 60.193 58.200 0.023 0.000 4.023 292 S CB -1.585 61.633 63.200 0.031 0.000 1.272 292 S HN 0.797 nan 8.310 nan 0.000 0.455 293 D N 2.095 122.497 120.400 0.002 0.000 2.348 293 D HA 0.025 4.668 4.640 0.004 0.000 0.216 293 D C 2.053 178.345 176.300 -0.012 0.000 0.970 293 D CA 1.116 55.114 54.000 -0.003 0.000 0.889 293 D CB -0.317 40.480 40.800 -0.005 0.000 0.912 293 D HN 0.748 nan 8.370 nan 0.000 0.524 294 Q N 0.123 119.912 119.800 -0.018 0.000 2.436 294 Q HA 0.124 4.466 4.340 0.004 0.000 0.209 294 Q C 1.114 177.095 176.000 -0.030 0.000 0.965 294 Q CA 0.372 56.159 55.803 -0.026 0.000 0.910 294 Q CB 0.653 29.372 28.738 -0.031 0.000 0.980 294 Q HN 0.144 nan 8.270 nan 0.000 0.491 295 G N 0.297 109.082 108.800 -0.025 0.000 2.753 295 G HA2 0.420 4.382 3.960 0.004 0.000 0.303 295 G HA3 0.420 4.382 3.960 0.004 0.000 0.303 295 G C -1.576 173.314 174.900 -0.016 0.000 1.242 295 G CA -0.655 44.428 45.100 -0.027 0.000 0.810 295 G HN 0.168 nan 8.290 nan 0.000 0.515 296 E N -2.115 118.078 120.200 -0.012 0.000 2.459 296 E HA 0.637 4.990 4.350 0.004 0.000 0.275 296 E C -1.777 174.829 176.600 0.011 0.000 0.987 296 E CA -0.928 55.472 56.400 0.001 0.000 0.828 296 E CB 2.093 31.789 29.700 -0.006 0.000 1.428 296 E HN 0.329 nan 8.360 nan 0.000 0.457 297 V N 1.801 121.728 119.914 0.022 0.000 2.293 297 V HA 0.325 4.448 4.120 0.004 0.000 0.275 297 V C -0.018 176.087 176.094 0.017 0.000 1.021 297 V CA -0.658 61.660 62.300 0.030 0.000 0.815 297 V CB 0.589 32.445 31.823 0.054 0.000 1.025 297 V HN 0.524 nan 8.190 nan 0.000 0.448 298 R N 3.442 123.949 120.500 0.012 0.000 2.623 298 R HA 0.201 4.543 4.340 0.004 0.000 0.271 298 R C 0.886 177.189 176.300 0.005 0.000 1.043 298 R CA -0.028 56.077 56.100 0.009 0.000 1.083 298 R CB 0.923 31.232 30.300 0.014 0.000 0.974 298 R HN 0.582 nan 8.270 nan 0.000 0.436 299 R N 0.950 121.453 120.500 0.006 0.000 2.297 299 R HA 0.053 4.396 4.340 0.004 0.000 0.197 299 R C 0.372 176.672 176.300 -0.000 0.000 0.943 299 R CA 0.229 56.329 56.100 0.001 0.000 1.038 299 R CB 0.104 30.406 30.300 0.003 0.000 0.957 299 R HN 0.460 nan 8.270 nan 0.000 0.484 300 N N -0.451 118.253 118.700 0.006 0.000 2.578 300 N HA 0.025 4.767 4.740 0.004 0.000 0.282 300 N C 0.069 175.591 175.510 0.020 0.000 1.119 300 N CA -0.412 52.643 53.050 0.009 0.000 0.948 300 N CB 1.184 39.678 38.487 0.011 0.000 1.546 300 N HN -0.112 nan 8.380 nan 0.000 0.525 301 c N 1.164 119.778 118.600 0.023 0.000 2.419 301 c HA -0.031 4.542 4.570 0.004 0.000 0.283 301 c C 2.369 176.493 174.090 0.057 0.000 1.373 301 c CA 0.722 57.077 56.329 0.042 0.000 1.781 301 c CB -1.110 41.431 42.510 0.052 0.000 1.886 301 c HN 0.714 nan 8.230 nan 0.000 0.520 302 S N -0.079 115.646 115.700 0.041 0.000 2.489 302 S HA 0.080 4.552 4.470 0.004 0.000 0.228 302 S C 0.664 175.297 174.600 0.054 0.000 0.995 302 S CA 0.903 59.120 58.200 0.027 0.000 0.934 302 S CB -0.185 63.009 63.200 -0.010 0.000 0.771 302 S HN 0.633 nan 8.310 nan 0.000 0.522 303 V N -0.939 119.012 119.914 0.062 0.000 3.040 303 V HA 0.613 4.735 4.120 0.004 0.000 0.312 303 V C -0.740 175.397 176.094 0.072 0.000 1.115 303 V CA -1.662 60.692 62.300 0.090 0.000 0.998 303 V CB 1.661 33.523 31.823 0.063 0.000 1.042 303 V HN -0.010 nan 8.190 nan 0.000 0.433 304 R N 1.666 122.213 120.500 0.077 0.000 2.582 304 R HA 0.365 4.707 4.340 0.004 0.000 0.271 304 R C -0.313 175.997 176.300 0.016 0.000 1.078 304 R CA -0.598 55.512 56.100 0.015 0.000 1.127 304 R CB 0.228 30.503 30.300 -0.042 0.000 1.038 304 R HN 0.770 nan 8.270 nan 0.000 0.500 305 N N 3.933 122.634 118.700 0.002 0.000 2.440 305 N HA 0.038 4.780 4.740 0.004 0.000 0.265 305 N C -2.068 173.445 175.510 0.004 0.000 1.239 305 N CA -0.728 52.325 53.050 0.005 0.000 0.909 305 N CB 0.120 38.608 38.487 0.001 0.000 1.066 305 N HN 0.389 nan 8.380 nan 0.000 0.474 306 P HA 0.319 nan 4.420 nan 0.000 0.272 306 P C 0.236 177.540 177.300 0.005 0.000 1.230 306 P CA -0.119 62.988 63.100 0.011 0.000 0.788 306 P CB 0.737 32.446 31.700 0.014 0.000 0.949 307 G N 1.862 110.665 108.800 0.005 0.000 2.428 307 G HA2 0.016 3.978 3.960 0.004 0.000 0.681 307 G HA3 0.016 3.978 3.960 0.004 0.000 0.681 307 G C -1.837 173.063 174.900 -0.001 0.000 1.340 307 G CA -0.329 44.772 45.100 0.002 0.000 0.915 307 G HN 0.445 nan 8.290 nan 0.000 0.645 308 P HA 0.296 nan 4.420 nan 0.000 0.229 308 P C 0.970 178.266 177.300 -0.006 0.000 1.160 308 P CA 1.771 64.870 63.100 -0.003 0.000 0.777 308 P CB 0.424 32.123 31.700 -0.001 0.000 0.814 309 G N 0.000 108.796 108.800 -0.006 0.000 5.446 309 G HA2 0.000 3.962 3.960 0.004 0.000 0.244 309 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 309 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 309 G HN 0.000 nan 8.290 nan 0.000 0.925