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 3nnk_1_L DATA FIRST_RESID 2 DATA SEQUENCE DITQFSQLNP PSRLLMGPGP INADPRVLRA MSSQLIGQYD PAMTHYMNEV DATA SEQUENCE MALYRGVFRT ENRWTMLVDG TSRAGIEAIL VSAIRPGDKV LVPVFGRFGH DATA SEQUENCE LLCEIARRCR AEVHTIEVPW GEVFTPDQVE DAVKRIRPRL LLTVQGDTST DATA SEQUENCE TMLQPLAELG EICRRYDALF YTDATASLGG NPLETDVWGL DAVSAGMQXC DATA SEQUENCE LGGPSGTSPI TLSARMEEAI RRRKCVEEGX RTDAHRDGDE EMIYSNYFDL DATA SEQUENCE GMVMDYWGPE RLNHHTEATT ALFGARECAR LILQEGLDYG IARHKLHGDA DATA SEQUENCE LVKGIQAMGL ETFGDLKHKM NNVLGVVIPQ GINGDQARKL MLEDFGIEIG DATA SEQUENCE TSFGPLHGKV WRIGTMGYNA RKDCVMTTLS ALEAVLNYLK FPTTQGAAMQ DATA SEQUENCE AAWDHYRSER 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.407 176.300 0.179 0.000 2.045 2 D CA 0.000 54.057 54.000 0.095 0.000 0.868 2 D CB 0.000 40.842 40.800 0.071 0.000 0.688 3 I N 0.014 120.676 120.570 0.153 0.000 3.428 3 I HA 0.061 4.231 4.170 -0.000 0.000 0.286 3 I C 2.492 178.773 176.117 0.273 0.000 1.287 3 I CA 1.903 63.338 61.300 0.225 0.000 1.396 3 I CB 0.281 38.289 38.000 0.014 0.000 1.062 3 I HN 0.658 nan 8.210 nan 0.000 0.471 4 T N -1.363 113.288 114.554 0.162 0.000 3.113 4 T HA -0.165 4.185 4.350 -0.000 0.000 0.263 4 T C 1.377 176.133 174.700 0.093 0.000 1.143 4 T CA 0.868 63.033 62.100 0.110 0.000 1.090 4 T CB -0.403 68.502 68.868 0.062 0.000 0.922 4 T HN 0.692 nan 8.240 nan 0.000 0.521 5 Q N -0.077 119.785 119.800 0.103 0.000 2.212 5 Q HA 0.300 4.640 4.340 -0.000 0.000 0.213 5 Q C -0.877 174.984 176.000 -0.231 0.000 0.874 5 Q CA -0.500 55.268 55.803 -0.058 0.000 0.965 5 Q CB -0.261 28.405 28.738 -0.121 0.000 1.074 5 Q HN 0.501 nan 8.270 nan 0.000 0.473 6 F N 2.140 122.092 119.950 0.004 0.000 2.359 6 F HA 0.308 4.835 4.527 -0.000 0.000 0.369 6 F C 0.239 176.042 175.800 0.004 0.000 1.084 6 F CA -0.805 57.198 58.000 0.004 0.000 1.096 6 F CB 1.401 40.403 39.000 0.003 0.000 1.335 6 F HN 0.075 nan 8.300 nan 0.000 0.457 7 S N 1.711 117.472 115.700 0.101 0.000 2.738 7 S HA 0.459 4.929 4.470 -0.000 0.000 0.284 7 S C -0.243 174.400 174.600 0.072 0.000 1.146 7 S CA -1.116 57.125 58.200 0.070 0.000 0.997 7 S CB 0.987 64.203 63.200 0.027 0.000 1.081 7 S HN 0.637 nan 8.310 nan 0.000 0.553 8 Q N 0.297 120.127 119.800 0.050 0.000 2.414 8 Q HA 0.152 4.492 4.340 -0.000 0.000 0.288 8 Q C -0.369 175.655 176.000 0.040 0.000 1.086 8 Q CA -0.589 55.240 55.803 0.043 0.000 0.943 8 Q CB 0.124 28.881 28.738 0.031 0.000 1.282 8 Q HN 0.589 nan 8.270 nan 0.000 0.438 9 L N 2.814 124.061 121.223 0.040 0.000 2.559 9 L HA 0.010 4.350 4.340 -0.000 0.000 0.274 9 L C -0.264 176.622 176.870 0.026 0.000 1.205 9 L CA 1.270 56.131 54.840 0.036 0.000 0.907 9 L CB -0.295 41.785 42.059 0.034 0.000 1.153 9 L HN 1.073 nan 8.230 nan 0.000 0.490 10 N N 6.197 124.911 118.700 0.023 0.000 2.722 10 N HA 0.283 5.023 4.740 -0.000 0.000 0.242 10 N C -2.535 172.985 175.510 0.017 0.000 1.398 10 N CA -0.843 52.217 53.050 0.017 0.000 0.755 10 N CB 1.213 39.707 38.487 0.012 0.000 1.268 10 N HN 0.415 nan 8.380 nan 0.000 0.522 11 P HA 0.369 nan 4.420 nan 0.000 0.280 11 P C -2.527 174.784 177.300 0.019 0.000 1.244 11 P CA -0.783 62.330 63.100 0.021 0.000 0.784 11 P CB 0.438 32.154 31.700 0.026 0.000 0.913 12 P HA 0.027 nan 4.420 nan 0.000 0.269 12 P C 0.020 177.332 177.300 0.021 0.000 1.209 12 P CA -0.105 63.005 63.100 0.016 0.000 0.776 12 P CB 0.463 32.173 31.700 0.016 0.000 0.876 13 S N 2.732 118.443 115.700 0.019 0.000 2.525 13 S HA 0.124 4.594 4.470 -0.000 0.000 0.285 13 S C -0.017 174.600 174.600 0.028 0.000 1.283 13 S CA -0.310 57.905 58.200 0.024 0.000 1.072 13 S CB -0.545 62.667 63.200 0.020 0.000 0.867 13 S HN 0.249 nan 8.310 nan 0.000 0.492 14 R N 3.404 123.925 120.500 0.035 0.000 2.621 14 R HA 0.378 4.718 4.340 -0.000 0.000 0.284 14 R C -1.384 174.940 176.300 0.041 0.000 0.998 14 R CA -0.843 55.280 56.100 0.038 0.000 0.895 14 R CB 1.477 31.800 30.300 0.040 0.000 1.195 14 R HN 0.574 nan 8.270 nan 0.000 0.450 15 L N 3.952 125.196 121.223 0.034 0.000 2.270 15 L HA 0.369 4.709 4.340 -0.000 0.000 0.286 15 L C -0.671 176.213 176.870 0.023 0.000 1.059 15 L CA -0.142 54.713 54.840 0.025 0.000 0.839 15 L CB 0.475 42.538 42.059 0.006 0.000 1.221 15 L HN 0.464 nan 8.230 nan 0.000 0.431 16 L N 6.701 127.946 121.223 0.037 0.000 2.363 16 L HA 0.263 4.603 4.340 -0.000 0.000 0.286 16 L C 0.284 177.173 176.870 0.032 0.000 1.106 16 L CA 0.041 54.905 54.840 0.040 0.000 0.859 16 L CB 0.329 42.423 42.059 0.057 0.000 1.223 16 L HN 0.636 nan 8.230 nan 0.000 0.446 17 M N 2.732 122.342 119.600 0.016 0.000 2.869 17 M HA 0.277 4.757 4.480 -0.000 0.000 0.353 17 M C 0.597 176.909 176.300 0.020 0.000 1.224 17 M CA -0.081 55.224 55.300 0.008 0.000 0.917 17 M CB 0.404 32.990 32.600 -0.023 0.000 1.322 17 M HN 0.538 nan 8.290 nan 0.000 0.516 18 G N 1.283 110.108 108.800 0.041 0.000 2.702 18 G HA2 0.510 4.470 3.960 -0.000 0.000 0.254 18 G HA3 0.510 4.470 3.960 -0.000 0.000 0.254 18 G C -1.821 173.121 174.900 0.071 0.000 1.380 18 G CA -0.550 44.583 45.100 0.054 0.000 1.042 18 G HN 0.130 nan 8.290 nan 0.000 0.557 19 P HA 0.174 nan 4.420 nan 0.000 0.229 19 P C 0.681 178.043 177.300 0.104 0.000 1.160 19 P CA 1.411 64.573 63.100 0.104 0.000 0.777 19 P CB 0.456 32.233 31.700 0.130 0.000 0.814 20 G N 0.471 109.332 108.800 0.103 0.000 2.317 20 G HA2 0.161 4.121 3.960 -0.000 0.000 0.445 20 G HA3 0.161 4.121 3.960 -0.000 0.000 0.445 20 G C -3.230 171.734 174.900 0.107 0.000 1.486 20 G CA -0.870 44.288 45.100 0.096 0.000 0.991 20 G HN -0.069 nan 8.290 nan 0.000 0.660 21 P HA 0.615 nan 4.420 nan 0.000 0.274 21 P C -0.027 177.320 177.300 0.078 0.000 1.237 21 P CA -0.363 62.784 63.100 0.079 0.000 0.793 21 P CB 1.207 32.950 31.700 0.072 0.000 0.977 22 I N -1.574 119.043 120.570 0.079 0.000 2.982 22 I HA 0.440 4.610 4.170 -0.000 0.000 0.312 22 I C -0.279 175.892 176.117 0.090 0.000 1.041 22 I CA -1.211 60.139 61.300 0.084 0.000 1.053 22 I CB 0.761 38.815 38.000 0.091 0.000 1.248 22 I HN 0.133 nan 8.210 nan 0.000 0.471 23 N N 2.365 121.128 118.700 0.105 0.000 2.357 23 N HA 0.323 5.063 4.740 -0.000 0.000 0.257 23 N C -0.392 175.187 175.510 0.116 0.000 1.250 23 N CA 0.434 53.557 53.050 0.120 0.000 0.862 23 N CB 0.443 39.038 38.487 0.180 0.000 1.066 23 N HN 0.863 nan 8.380 nan 0.000 0.468 24 A N 1.844 124.687 122.820 0.038 0.000 2.354 24 A HA 0.080 4.400 4.320 -0.000 0.000 0.269 24 A C 0.154 177.615 177.584 -0.204 0.000 1.109 24 A CA -0.590 51.432 52.037 -0.026 0.000 0.800 24 A CB 0.356 19.342 19.000 -0.024 0.000 1.045 24 A HN 0.659 nan 8.150 nan 0.000 0.489 25 D N 2.416 122.657 120.400 -0.264 0.000 2.531 25 D HA 0.032 4.672 4.640 -0.000 0.000 0.239 25 D C -1.409 174.650 176.300 -0.402 0.000 1.144 25 D CA -0.953 52.717 54.000 -0.550 0.000 0.869 25 D CB 0.994 41.653 40.800 -0.236 0.000 1.160 25 D HN 0.156 nan 8.370 nan 0.000 0.484 26 P HA -0.140 nan 4.420 nan 0.000 0.216 26 P C 1.075 178.288 177.300 -0.145 0.000 1.150 26 P CA 1.331 64.282 63.100 -0.248 0.000 0.843 26 P CB 0.280 31.850 31.700 -0.217 0.000 0.787 27 R N -0.773 119.644 120.500 -0.138 0.000 2.081 27 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 27 R C 2.139 178.402 176.300 -0.062 0.000 1.131 27 R CA 1.181 57.232 56.100 -0.081 0.000 0.960 27 R CB -1.642 28.619 30.300 -0.066 0.000 0.856 27 R HN 0.101 nan 8.270 nan 0.000 0.436 28 V N 1.051 120.924 119.914 -0.068 0.000 2.407 28 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 28 V C 2.186 178.271 176.094 -0.015 0.000 1.055 28 V CA 1.595 63.877 62.300 -0.030 0.000 1.049 28 V CB -0.483 31.325 31.823 -0.024 0.000 0.662 28 V HN 0.256 nan 8.190 nan 0.000 0.455 29 L N -0.610 120.589 121.223 -0.040 0.000 2.056 29 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 29 L C 2.834 179.700 176.870 -0.006 0.000 1.078 29 L CA 1.651 56.478 54.840 -0.022 0.000 0.749 29 L CB -0.555 41.478 42.059 -0.042 0.000 0.901 29 L HN 0.233 nan 8.230 nan 0.000 0.433 30 R N -0.070 120.419 120.500 -0.019 0.000 2.075 30 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 30 R C 2.435 178.738 176.300 0.005 0.000 1.126 30 R CA 1.219 57.313 56.100 -0.010 0.000 0.963 30 R CB -0.536 29.750 30.300 -0.024 0.000 0.858 30 R HN 0.321 nan 8.270 nan 0.000 0.435 31 A N 1.165 123.984 122.820 -0.001 0.000 1.986 31 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 31 A C 2.109 179.760 177.584 0.111 0.000 1.171 31 A CA 1.501 53.542 52.037 0.006 0.000 0.640 31 A CB -0.474 18.519 19.000 -0.012 0.000 0.811 31 A HN 0.236 nan 8.150 nan 0.000 0.451 32 M N 0.137 119.801 119.600 0.106 0.000 2.394 32 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 32 M C 2.079 178.448 176.300 0.115 0.000 1.073 32 M CA 1.411 56.789 55.300 0.129 0.000 1.111 32 M CB -0.195 32.447 32.600 0.070 0.000 1.401 32 M HN 0.632 nan 8.290 nan 0.000 0.448 33 S N -0.956 114.794 115.700 0.084 0.000 2.603 33 S HA 0.029 4.499 4.470 -0.000 0.000 0.220 33 S C 0.918 175.571 174.600 0.088 0.000 0.967 33 S CA -0.210 58.030 58.200 0.067 0.000 0.920 33 S CB -0.301 62.922 63.200 0.038 0.000 0.773 33 S HN 0.342 nan 8.310 nan 0.000 0.529 34 S N 1.116 116.898 115.700 0.136 0.000 2.579 34 S HA 0.158 4.628 4.470 -0.000 0.000 0.275 34 S C 0.065 174.788 174.600 0.204 0.000 1.345 34 S CA -0.470 57.814 58.200 0.141 0.000 1.031 34 S CB 0.269 63.517 63.200 0.080 0.000 0.892 34 S HN 0.624 nan 8.310 nan 0.000 0.529 35 Q N 1.971 121.861 119.800 0.151 0.000 2.361 35 Q HA 0.276 4.616 4.340 -0.000 0.000 0.276 35 Q C -0.264 175.878 176.000 0.237 0.000 1.022 35 Q CA 0.084 55.975 55.803 0.146 0.000 0.898 35 Q CB 0.466 29.261 28.738 0.096 0.000 1.246 35 Q HN 0.593 nan 8.270 nan 0.000 0.410 36 L N 3.115 124.434 121.223 0.160 0.000 2.454 36 L HA 0.472 4.811 4.340 -0.000 0.000 0.256 36 L C 0.313 177.268 176.870 0.143 0.000 1.136 36 L CA -0.751 54.174 54.840 0.141 0.000 0.804 36 L CB 0.318 42.393 42.059 0.027 0.000 1.181 36 L HN 0.569 nan 8.230 nan 0.000 0.469 37 I N -1.738 118.915 120.570 0.137 0.000 3.206 37 I HA 0.646 4.816 4.170 -0.000 0.000 0.313 37 I C 0.148 176.296 176.117 0.052 0.000 1.103 37 I CA -0.697 60.669 61.300 0.109 0.000 0.985 37 I CB 1.165 39.257 38.000 0.154 0.000 1.240 37 I HN 0.539 nan 8.210 nan 0.000 0.464 38 G N 0.800 109.626 108.800 0.043 0.000 2.594 38 G HA2 0.118 4.078 3.960 -0.000 0.000 0.243 38 G HA3 0.118 4.078 3.960 -0.000 0.000 0.243 38 G C 0.304 175.190 174.900 -0.023 0.000 1.229 38 G CA -0.229 44.882 45.100 0.019 0.000 0.843 38 G HN 0.890 nan 8.290 nan 0.000 0.578 39 Q N -0.121 119.627 119.800 -0.086 0.000 2.124 39 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 39 Q C 0.694 176.446 176.000 -0.413 0.000 0.977 39 Q CA 1.441 57.078 55.803 -0.278 0.000 0.850 39 Q CB -0.049 28.454 28.738 -0.392 0.000 0.901 39 Q HN 0.717 nan 8.270 nan 0.000 0.429 40 Y N 0.171 120.468 120.300 -0.005 0.000 2.636 40 Y HA 0.212 4.762 4.550 -0.000 0.000 0.260 40 Y C -0.188 175.704 175.900 -0.014 0.000 1.177 40 Y CA -0.765 57.324 58.100 -0.019 0.000 1.209 40 Y CB 0.454 38.910 38.460 -0.007 0.000 1.166 40 Y HN -0.003 nan 8.280 nan 0.000 0.531 41 D N 1.747 122.200 120.400 0.089 0.000 2.458 41 D HA -0.022 4.618 4.640 -0.000 0.000 0.243 41 D C -1.707 174.618 176.300 0.041 0.000 1.146 41 D CA -1.122 52.915 54.000 0.062 0.000 0.877 41 D CB 1.710 42.543 40.800 0.054 0.000 1.176 41 D HN 0.078 nan 8.370 nan 0.000 0.461 42 P HA -0.155 nan 4.420 nan 0.000 0.218 42 P C 0.773 178.057 177.300 -0.027 0.000 1.146 42 P CA 1.375 64.474 63.100 -0.002 0.000 0.813 42 P CB 0.194 31.880 31.700 -0.024 0.000 0.778 43 A N -1.224 121.575 122.820 -0.035 0.000 1.897 43 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 43 A C 2.184 179.746 177.584 -0.036 0.000 1.181 43 A CA 1.780 53.761 52.037 -0.094 0.000 0.620 43 A CB -1.266 17.710 19.000 -0.040 0.000 0.821 43 A HN 0.108 nan 8.150 nan 0.000 0.443 44 M N 1.032 120.675 119.600 0.071 0.000 2.067 44 M HA -0.131 4.349 4.480 -0.000 0.000 0.260 44 M C 2.177 178.494 176.300 0.027 0.000 1.069 44 M CA 2.800 58.170 55.300 0.117 0.000 1.117 44 M CB -1.043 31.572 32.600 0.026 0.000 1.334 44 M HN 0.527 nan 8.290 nan 0.000 0.407 45 T N -2.621 111.913 114.554 -0.032 0.000 2.915 45 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 45 T C 2.046 176.742 174.700 -0.007 0.000 1.071 45 T CA 1.579 63.637 62.100 -0.070 0.000 1.132 45 T CB -1.039 67.802 68.868 -0.044 0.000 0.878 45 T HN 0.619 nan 8.240 nan 0.000 0.479 46 H N -0.027 118.983 119.070 -0.101 0.000 2.357 46 H HA -0.059 4.496 4.556 -0.000 0.000 0.301 46 H C 1.789 177.081 175.328 -0.061 0.000 1.082 46 H CA 1.478 57.448 56.048 -0.130 0.000 1.342 46 H CB -0.301 29.307 29.762 -0.257 0.000 1.389 46 H HN 0.565 nan 8.280 nan 0.000 0.511 47 Y N 0.155 120.448 120.300 -0.012 0.000 2.293 47 Y HA -0.177 4.373 4.550 -0.000 0.000 0.291 47 Y C 3.021 178.939 175.900 0.030 0.000 1.137 47 Y CA 0.595 58.687 58.100 -0.012 0.000 1.202 47 Y CB 0.007 38.538 38.460 0.119 0.000 0.990 47 Y HN 0.169 nan 8.280 nan 0.000 0.537 48 M N -0.059 119.621 119.600 0.133 0.000 2.117 48 M HA -0.259 4.221 4.480 -0.000 0.000 0.262 48 M C 1.615 178.070 176.300 0.258 0.000 1.065 48 M CA 1.913 57.268 55.300 0.090 0.000 1.114 48 M CB -0.472 31.917 32.600 -0.352 0.000 1.361 48 M HN 0.315 nan 8.290 nan 0.000 0.408 49 N N -0.162 118.602 118.700 0.107 0.000 2.120 49 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 49 N C 1.548 177.102 175.510 0.075 0.000 1.024 49 N CA 1.158 54.262 53.050 0.089 0.000 0.852 49 N CB -0.053 38.435 38.487 0.002 0.000 1.003 49 N HN 0.396 nan 8.380 nan 0.000 0.424 50 E N 0.410 120.616 120.200 0.010 0.000 2.106 50 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 50 E C 2.041 178.722 176.600 0.134 0.000 0.984 50 E CA 0.780 57.195 56.400 0.025 0.000 0.806 50 E CB 0.038 29.733 29.700 -0.008 0.000 0.750 50 E HN 0.167 nan 8.360 nan 0.000 0.458 51 V N 1.544 121.605 119.914 0.244 0.000 2.287 51 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 51 V C 2.319 178.630 176.094 0.362 0.000 1.053 51 V CA 1.764 64.280 62.300 0.359 0.000 1.027 51 V CB -0.430 31.679 31.823 0.477 0.000 0.646 51 V HN 0.305 nan 8.190 nan 0.000 0.447 52 M N -0.089 119.689 119.600 0.295 0.000 2.065 52 M HA -0.200 4.280 4.480 -0.000 0.000 0.259 52 M C 2.466 178.864 176.300 0.164 0.000 1.071 52 M CA 2.409 57.836 55.300 0.210 0.000 1.109 52 M CB -0.784 31.925 32.600 0.182 0.000 1.313 52 M HN 0.379 nan 8.290 nan 0.000 0.408 53 A N 0.606 123.493 122.820 0.111 0.000 1.892 53 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 53 A C 2.164 179.778 177.584 0.050 0.000 1.188 53 A CA 1.712 53.785 52.037 0.061 0.000 0.631 53 A CB -1.103 17.916 19.000 0.032 0.000 0.822 53 A HN 0.477 nan 8.150 nan 0.000 0.447 54 L N -2.617 118.633 121.223 0.044 0.000 2.056 54 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 54 L C 2.439 179.232 176.870 -0.129 0.000 1.078 54 L CA 1.281 56.084 54.840 -0.061 0.000 0.749 54 L CB -0.494 41.495 42.059 -0.117 0.000 0.901 54 L HN 0.468 nan 8.230 nan 0.000 0.433 55 Y N -0.249 120.072 120.300 0.035 0.000 2.561 55 Y HA -0.060 4.490 4.550 -0.000 0.000 0.291 55 Y C 2.570 178.557 175.900 0.144 0.000 1.141 55 Y CA 0.574 58.695 58.100 0.035 0.000 1.303 55 Y CB -0.198 38.314 38.460 0.086 0.000 1.015 55 Y HN 0.036 nan 8.280 nan 0.000 0.547 56 R N -0.890 119.740 120.500 0.217 0.000 2.092 56 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 56 R C 2.522 178.879 176.300 0.095 0.000 1.119 56 R CA 1.220 57.417 56.100 0.162 0.000 0.970 56 R CB -0.725 29.623 30.300 0.079 0.000 0.864 56 R HN 0.382 nan 8.270 nan 0.000 0.440 57 G N 0.196 109.010 108.800 0.023 0.000 2.421 57 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.217 57 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.217 57 G C 1.440 176.304 174.900 -0.059 0.000 1.143 57 G CA 0.300 45.385 45.100 -0.025 0.000 0.784 57 G HN 0.090 nan 8.290 nan 0.000 0.541 58 V N 0.306 120.152 119.914 -0.113 0.000 2.323 58 V HA -0.030 4.090 4.120 -0.000 0.000 0.244 58 V C 2.352 178.346 176.094 -0.166 0.000 1.041 58 V CA 1.151 63.331 62.300 -0.200 0.000 1.025 58 V CB -0.636 30.967 31.823 -0.366 0.000 0.656 58 V HN 0.270 nan 8.190 nan 0.000 0.451 59 F N -0.011 119.938 119.950 -0.000 0.000 2.502 59 F HA 0.142 4.669 4.527 -0.000 0.000 0.298 59 F C 1.395 177.140 175.800 -0.092 0.000 1.111 59 F CA 0.337 58.317 58.000 -0.033 0.000 1.445 59 F CB -0.229 38.768 39.000 -0.005 0.000 1.081 59 F HN 0.064 nan 8.300 nan 0.000 0.558 60 R N 0.656 121.196 120.500 0.067 0.000 3.201 60 R HA -0.182 4.158 4.340 -0.000 0.000 0.254 60 R C -0.115 176.181 176.300 -0.007 0.000 0.978 60 R CA 0.886 56.975 56.100 -0.018 0.000 0.661 60 R CB -2.394 27.841 30.300 -0.109 0.000 1.170 60 R HN 0.303 nan 8.270 nan 0.000 0.430 61 T N -1.882 112.694 114.554 0.036 0.000 2.841 61 T HA 0.451 4.801 4.350 -0.000 0.000 0.296 61 T C 0.393 175.098 174.700 0.008 0.000 1.166 61 T CA -0.574 61.534 62.100 0.014 0.000 1.007 61 T CB 1.651 70.525 68.868 0.011 0.000 1.253 61 T HN 0.308 nan 8.240 nan 0.000 0.511 62 E N 0.595 120.789 120.200 -0.010 0.000 2.562 62 E HA 0.166 4.516 4.350 -0.000 0.000 0.214 62 E C -0.361 176.215 176.600 -0.041 0.000 0.979 62 E CA -0.372 56.015 56.400 -0.021 0.000 1.002 62 E CB 0.317 30.003 29.700 -0.023 0.000 1.048 62 E HN 0.425 nan 8.360 nan 0.000 0.488 63 N N 2.520 121.198 118.700 -0.038 0.000 2.236 63 N HA -0.117 4.623 4.740 -0.000 0.000 0.274 63 N C 0.881 176.329 175.510 -0.104 0.000 1.339 63 N CA 0.408 53.426 53.050 -0.053 0.000 0.845 63 N CB 0.464 38.927 38.487 -0.041 0.000 1.091 63 N HN 0.224 nan 8.380 nan 0.000 0.489 64 R N 2.457 122.831 120.500 -0.210 0.000 2.103 64 R HA -0.127 4.213 4.340 -0.000 0.000 0.242 64 R C -0.048 175.951 176.300 -0.502 0.000 1.142 64 R CA 1.357 57.186 56.100 -0.452 0.000 0.960 64 R CB 0.044 29.919 30.300 -0.707 0.000 0.858 64 R HN 0.623 nan 8.270 nan 0.000 0.439 65 W N 1.459 122.745 121.300 -0.023 0.000 1.738 65 W HA 0.249 4.909 4.660 -0.000 0.000 0.399 65 W C -0.744 175.712 176.519 -0.104 0.000 0.744 65 W CA -0.792 56.522 57.345 -0.051 0.000 1.695 65 W CB 0.857 30.287 29.460 -0.050 0.000 1.820 65 W HN -0.138 nan 8.180 nan 0.000 0.262 66 T N 4.671 119.272 114.554 0.079 0.000 2.770 66 T HA 0.653 5.003 4.350 -0.000 0.000 0.283 66 T C 0.160 174.814 174.700 -0.077 0.000 0.988 66 T CA -0.601 61.501 62.100 0.004 0.000 0.957 66 T CB 0.836 69.754 68.868 0.084 0.000 0.930 66 T HN 0.313 nan 8.240 nan 0.000 0.443 67 M N 1.767 121.213 119.600 -0.257 0.000 3.517 67 M HA 0.633 5.113 4.480 -0.000 0.000 0.293 67 M C -2.105 173.807 176.300 -0.645 0.000 1.404 67 M CA -1.198 53.673 55.300 -0.715 0.000 0.837 67 M CB 1.308 33.237 32.600 -1.118 0.000 1.756 67 M HN 0.263 nan 8.290 nan 0.000 0.474 68 L N 1.480 122.178 121.223 -0.875 0.000 2.325 68 L HA 0.749 5.089 4.340 -0.000 0.000 0.278 68 L C -0.865 175.942 176.870 -0.106 0.000 1.023 68 L CA -1.196 53.459 54.840 -0.309 0.000 0.811 68 L CB 1.973 44.027 42.059 -0.008 0.000 1.249 68 L HN 0.424 nan 8.230 nan 0.000 0.431 69 V N 1.052 120.957 119.914 -0.015 0.000 2.398 69 V HA 0.187 4.307 4.120 -0.000 0.000 0.286 69 V C -0.691 175.475 176.094 0.119 0.000 1.026 69 V CA -0.668 61.674 62.300 0.069 0.000 0.868 69 V CB 1.670 33.547 31.823 0.090 0.000 0.982 69 V HN 0.612 nan 8.190 nan 0.000 0.443 70 D N 4.720 125.190 120.400 0.115 0.000 2.435 70 D HA 0.545 5.185 4.640 -0.000 0.000 0.230 70 D C 0.480 176.902 176.300 0.203 0.000 1.215 70 D CA 0.807 54.897 54.000 0.149 0.000 0.947 70 D CB 0.825 41.702 40.800 0.128 0.000 1.048 70 D HN 0.899 nan 8.370 nan 0.000 0.512 71 G N 0.240 109.144 108.800 0.174 0.000 2.325 71 G HA2 0.335 4.295 3.960 -0.000 0.000 0.297 71 G HA3 0.335 4.295 3.960 -0.000 0.000 0.297 71 G C -0.114 174.867 174.900 0.133 0.000 1.448 71 G CA -0.652 44.554 45.100 0.177 0.000 0.838 71 G HN 0.295 nan 8.290 nan 0.000 0.579 72 T N -1.063 113.559 114.554 0.113 0.000 2.734 72 T HA 0.341 4.691 4.350 -0.000 0.000 0.314 72 T C 1.886 176.633 174.700 0.077 0.000 1.057 72 T CA 1.014 63.165 62.100 0.085 0.000 1.047 72 T CB 0.680 69.594 68.868 0.077 0.000 0.991 72 T HN 1.033 nan 8.240 nan 0.000 0.540 73 S N 1.366 117.098 115.700 0.053 0.000 2.372 73 S HA -0.223 4.247 4.470 -0.000 0.000 0.227 73 S C 2.169 176.788 174.600 0.032 0.000 1.044 73 S CA 1.647 59.867 58.200 0.033 0.000 1.050 73 S CB -0.562 62.638 63.200 -0.000 0.000 0.901 73 S HN 0.878 nan 8.310 nan 0.000 0.447 74 R N 1.894 122.418 120.500 0.039 0.000 2.235 74 R HA 0.204 4.544 4.340 -0.000 0.000 0.213 74 R C 2.049 178.323 176.300 -0.044 0.000 1.059 74 R CA 1.057 57.169 56.100 0.020 0.000 0.997 74 R CB -0.639 29.693 30.300 0.054 0.000 0.884 74 R HN 0.374 nan 8.270 nan 0.000 0.462 75 A N 1.587 124.409 122.820 0.004 0.000 1.933 75 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 75 A C 2.460 179.951 177.584 -0.156 0.000 1.175 75 A CA 1.513 53.536 52.037 -0.023 0.000 0.628 75 A CB -1.024 18.158 19.000 0.304 0.000 0.814 75 A HN 0.528 nan 8.150 nan 0.000 0.444 76 G N 0.047 108.830 108.800 -0.028 0.000 2.408 76 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.217 76 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.217 76 G C 1.503 176.358 174.900 -0.075 0.000 1.150 76 G CA 1.041 46.125 45.100 -0.027 0.000 0.776 76 G HN 0.491 nan 8.290 nan 0.000 0.542 77 I N 0.315 120.847 120.570 -0.063 0.000 2.142 77 I HA -0.154 4.016 4.170 -0.000 0.000 0.240 77 I C 2.627 178.594 176.117 -0.250 0.000 1.078 77 I CA 1.524 62.772 61.300 -0.086 0.000 1.343 77 I CB -0.334 37.662 38.000 -0.007 0.000 1.046 77 I HN 0.227 nan 8.210 nan 0.000 0.405 78 E N 1.130 121.132 120.200 -0.330 0.000 2.058 78 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 78 E C 2.306 178.605 176.600 -0.502 0.000 0.997 78 E CA 1.397 57.526 56.400 -0.451 0.000 0.801 78 E CB -0.074 29.262 29.700 -0.607 0.000 0.746 78 E HN 0.480 nan 8.360 nan 0.000 0.450 79 A N 0.996 123.445 122.820 -0.619 0.000 1.892 79 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 79 A C 2.159 179.651 177.584 -0.153 0.000 1.188 79 A CA 1.712 53.582 52.037 -0.279 0.000 0.631 79 A CB -0.745 18.228 19.000 -0.046 0.000 0.822 79 A HN 0.331 nan 8.150 nan 0.000 0.447 80 I N -0.442 120.021 120.570 -0.178 0.000 2.252 80 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 80 I C 2.352 178.341 176.117 -0.212 0.000 1.102 80 I CA 0.900 62.097 61.300 -0.172 0.000 1.385 80 I CB -0.240 37.658 38.000 -0.169 0.000 1.064 80 I HN 0.304 nan 8.210 nan 0.000 0.414 81 L N 0.008 121.068 121.223 -0.271 0.000 2.072 81 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 81 L C 2.517 179.311 176.870 -0.127 0.000 1.079 81 L CA 1.078 55.778 54.840 -0.234 0.000 0.752 81 L CB -0.599 41.306 42.059 -0.256 0.000 0.906 81 L HN 0.142 nan 8.230 nan 0.000 0.436 82 V N -1.817 118.035 119.914 -0.103 0.000 2.809 82 V HA -0.141 3.979 4.120 -0.000 0.000 0.256 82 V C 2.334 178.426 176.094 -0.004 0.000 1.080 82 V CA 1.453 63.742 62.300 -0.017 0.000 1.102 82 V CB -0.255 31.590 31.823 0.037 0.000 0.705 82 V HN 0.310 nan 8.190 nan 0.000 0.475 83 S N 0.264 115.940 115.700 -0.041 0.000 2.458 83 S HA 0.203 4.673 4.470 -0.000 0.000 0.223 83 S C 2.100 176.673 174.600 -0.045 0.000 1.019 83 S CA 0.961 59.135 58.200 -0.044 0.000 0.937 83 S CB 0.081 63.245 63.200 -0.061 0.000 0.788 83 S HN 0.642 nan 8.310 nan 0.000 0.511 84 A N 0.806 123.593 122.820 -0.055 0.000 1.997 84 A HA 0.377 4.697 4.320 -0.000 0.000 0.212 84 A C 0.747 178.319 177.584 -0.020 0.000 1.178 84 A CA 0.275 52.287 52.037 -0.041 0.000 0.698 84 A CB -0.085 18.880 19.000 -0.059 0.000 0.842 84 A HN 0.410 nan 8.150 nan 0.000 0.458 85 I N 1.424 121.983 120.570 -0.019 0.000 2.312 85 I HA 0.321 4.491 4.170 -0.000 0.000 0.290 85 I C -0.363 175.777 176.117 0.038 0.000 1.008 85 I CA -0.625 60.677 61.300 0.003 0.000 1.226 85 I CB 1.302 39.294 38.000 -0.012 0.000 1.371 85 I HN 0.110 nan 8.210 nan 0.000 0.468 86 R N 6.797 127.325 120.500 0.047 0.000 2.500 86 R HA 0.401 4.741 4.340 -0.000 0.000 0.275 86 R C -2.479 173.863 176.300 0.069 0.000 1.051 86 R CA -1.627 54.524 56.100 0.084 0.000 1.088 86 R CB -0.131 30.210 30.300 0.069 0.000 1.063 86 R HN 0.256 nan 8.270 nan 0.000 0.511 87 P HA -0.031 nan 4.420 nan 0.000 0.261 87 P C 0.485 177.795 177.300 0.017 0.000 1.173 87 P CA 1.336 64.447 63.100 0.017 0.000 0.760 87 P CB 0.502 32.192 31.700 -0.017 0.000 0.783 88 G N 1.927 110.731 108.800 0.006 0.000 2.199 88 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.254 88 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.254 88 G C 0.054 174.969 174.900 0.025 0.000 0.982 88 G CA -0.287 44.820 45.100 0.012 0.000 0.632 88 G HN 0.498 nan 8.290 nan 0.000 0.529 89 D N 1.226 121.643 120.400 0.028 0.000 2.414 89 D HA 0.333 4.973 4.640 -0.000 0.000 0.242 89 D C 0.808 177.138 176.300 0.049 0.000 1.129 89 D CA 0.371 54.391 54.000 0.034 0.000 0.885 89 D CB 0.651 41.469 40.800 0.029 0.000 1.198 89 D HN 0.331 nan 8.370 nan 0.000 0.437 90 K N 0.624 121.061 120.400 0.061 0.000 2.218 90 K HA 0.429 4.749 4.320 -0.000 0.000 0.276 90 K C -0.664 175.989 176.600 0.089 0.000 1.022 90 K CA -0.547 55.805 56.287 0.108 0.000 0.946 90 K CB 1.463 34.004 32.500 0.067 0.000 1.000 90 K HN 0.088 nan 8.250 nan 0.000 0.468 91 V N 4.240 124.238 119.914 0.140 0.000 2.623 91 V HA 0.217 4.337 4.120 -0.000 0.000 0.304 91 V C -1.341 174.819 176.094 0.110 0.000 1.054 91 V CA -0.945 61.408 62.300 0.088 0.000 0.882 91 V CB 1.860 33.714 31.823 0.050 0.000 1.002 91 V HN 0.517 nan 8.190 nan 0.000 0.424 92 L N 7.138 128.398 121.223 0.061 0.000 2.272 92 L HA 0.744 5.084 4.340 -0.000 0.000 0.289 92 L C -0.665 176.220 176.870 0.026 0.000 1.032 92 L CA 0.071 54.935 54.840 0.040 0.000 0.810 92 L CB 1.656 43.703 42.059 -0.020 0.000 1.205 92 L HN 0.427 nan 8.230 nan 0.000 0.422 93 V N 6.990 126.911 119.914 0.011 0.000 2.409 93 V HA 0.448 4.568 4.120 -0.000 0.000 0.290 93 V C -2.322 173.728 176.094 -0.074 0.000 1.017 93 V CA -1.351 60.946 62.300 -0.004 0.000 0.841 93 V CB 1.601 33.430 31.823 0.011 0.000 1.003 93 V HN 0.697 nan 8.190 nan 0.000 0.426 94 P HA 0.266 nan 4.420 nan 0.000 0.284 94 P C -0.519 176.776 177.300 -0.007 0.000 1.343 94 P CA -0.138 62.670 63.100 -0.486 0.000 0.826 94 P CB 0.910 32.028 31.700 -0.970 0.000 0.956 95 V N 5.616 125.666 119.914 0.227 0.000 2.383 95 V HA 0.284 4.404 4.120 -0.000 0.000 0.275 95 V C 0.707 177.120 176.094 0.533 0.000 1.036 95 V CA -0.020 62.408 62.300 0.214 0.000 0.889 95 V CB 0.047 31.831 31.823 -0.065 0.000 0.985 95 V HN 0.515 nan 8.190 nan 0.000 0.459 96 F N 1.738 121.825 119.950 0.228 0.000 2.838 96 F HA 0.843 5.370 4.527 -0.000 0.000 0.329 96 F C 0.585 176.217 175.800 -0.280 0.000 1.116 96 F CA -0.093 57.936 58.000 0.049 0.000 1.155 96 F CB 0.420 39.439 39.000 0.031 0.000 1.106 96 F HN 0.576 nan 8.300 nan 0.000 0.538 97 G N 0.458 108.906 108.800 -0.586 0.000 2.488 97 G HA2 0.187 4.147 3.960 -0.000 0.000 0.301 97 G HA3 0.187 4.147 3.960 -0.000 0.000 0.301 97 G C -0.214 174.447 174.900 -0.399 0.000 1.339 97 G CA -0.612 43.910 45.100 -0.964 0.000 0.803 97 G HN -0.013 nan 8.290 nan 0.000 0.482 98 R N -0.689 119.546 120.500 -0.443 0.000 2.103 98 R HA -0.076 4.264 4.340 -0.000 0.000 0.242 98 R C 1.854 178.037 176.300 -0.195 0.000 1.142 98 R CA 1.954 57.981 56.100 -0.120 0.000 0.960 98 R CB -0.587 29.523 30.300 -0.316 0.000 0.858 98 R HN 0.446 nan 8.270 nan 0.000 0.439 99 F N -0.231 119.668 119.950 -0.084 0.000 2.661 99 F HA 0.147 4.674 4.527 -0.000 0.000 0.298 99 F C 2.374 178.112 175.800 -0.103 0.000 1.137 99 F CA 0.840 58.798 58.000 -0.070 0.000 1.454 99 F CB -0.511 38.437 39.000 -0.087 0.000 1.103 99 F HN 0.176 nan 8.300 nan 0.000 0.577 100 G N -0.685 108.067 108.800 -0.081 0.000 2.408 100 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 100 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 100 G C 1.560 176.395 174.900 -0.109 0.000 1.150 100 G CA 0.560 45.572 45.100 -0.148 0.000 0.776 100 G HN 0.355 nan 8.290 nan 0.000 0.542 101 H N -0.322 118.759 119.070 0.018 0.000 2.423 101 H HA -0.017 4.539 4.556 -0.000 0.000 0.297 101 H C 2.520 177.861 175.328 0.022 0.000 1.075 101 H CA 1.213 57.280 56.048 0.031 0.000 1.342 101 H CB -0.164 29.621 29.762 0.038 0.000 1.395 101 H HN 0.316 nan 8.280 nan 0.000 0.530 102 L N 1.231 122.537 121.223 0.137 0.000 2.042 102 L HA -0.156 4.183 4.340 -0.000 0.000 0.210 102 L C 2.240 179.160 176.870 0.082 0.000 1.076 102 L CA 1.335 56.242 54.840 0.112 0.000 0.749 102 L CB -0.757 41.410 42.059 0.180 0.000 0.893 102 L HN 0.117 nan 8.230 nan 0.000 0.432 103 L N -1.573 119.697 121.223 0.079 0.000 2.083 103 L HA -0.248 4.092 4.340 -0.000 0.000 0.209 103 L C 2.598 179.481 176.870 0.021 0.000 1.083 103 L CA 1.212 56.081 54.840 0.049 0.000 0.752 103 L CB -1.029 41.075 42.059 0.075 0.000 0.899 103 L HN 0.387 nan 8.230 nan 0.000 0.433 104 C N -0.377 118.940 119.300 0.028 0.000 2.425 104 C HA -0.106 4.354 4.460 -0.000 0.000 0.277 104 C C 2.773 177.776 174.990 0.021 0.000 1.280 104 C CA 0.416 59.447 59.018 0.023 0.000 1.744 104 C CB -0.612 27.151 27.740 0.037 0.000 1.989 104 C HN 0.485 nan 8.230 nan 0.000 0.491 105 E N 0.791 121.011 120.200 0.033 0.000 2.046 105 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 105 E C 2.037 178.636 176.600 -0.001 0.000 0.982 105 E CA 1.027 57.439 56.400 0.019 0.000 0.800 105 E CB -0.321 29.395 29.700 0.027 0.000 0.756 105 E HN 0.637 nan 8.360 nan 0.000 0.449 106 I N 1.286 121.851 120.570 -0.008 0.000 2.127 106 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 106 I C 2.582 178.672 176.117 -0.044 0.000 1.075 106 I CA 1.327 62.605 61.300 -0.036 0.000 1.334 106 I CB -0.441 37.521 38.000 -0.063 0.000 1.040 106 I HN 0.007 nan 8.210 nan 0.000 0.405 107 A N 0.790 123.585 122.820 -0.042 0.000 1.917 107 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 107 A C 2.409 179.977 177.584 -0.027 0.000 1.182 107 A CA 2.248 54.262 52.037 -0.038 0.000 0.633 107 A CB -0.790 18.194 19.000 -0.028 0.000 0.819 107 A HN 0.406 nan 8.150 nan 0.000 0.448 108 R N -0.147 120.341 120.500 -0.020 0.000 2.096 108 R HA -0.156 4.184 4.340 -0.000 0.000 0.240 108 R C 2.043 178.328 176.300 -0.025 0.000 1.139 108 R CA 1.931 58.018 56.100 -0.022 0.000 0.952 108 R CB -0.262 30.029 30.300 -0.015 0.000 0.854 108 R HN 0.533 nan 8.270 nan 0.000 0.436 109 R N -0.648 119.839 120.500 -0.022 0.000 2.323 109 R HA 0.033 4.373 4.340 -0.000 0.000 0.198 109 R C 1.239 177.527 176.300 -0.020 0.000 0.988 109 R CA 0.491 56.579 56.100 -0.020 0.000 1.041 109 R CB 0.089 30.383 30.300 -0.010 0.000 0.926 109 R HN 0.304 nan 8.270 nan 0.000 0.476 110 C N 0.389 119.675 119.300 -0.022 0.000 2.673 110 C HA 0.256 4.716 4.460 -0.000 0.000 0.274 110 C C 0.620 175.597 174.990 -0.023 0.000 1.276 110 C CA -0.490 58.521 59.018 -0.011 0.000 1.701 110 C CB -1.195 26.536 27.740 -0.014 0.000 1.836 110 C HN 0.539 nan 8.230 nan 0.000 0.596 111 R N -0.167 120.309 120.500 -0.041 0.000 3.336 111 R HA -0.190 4.150 4.340 -0.000 0.000 0.260 111 R C 0.011 176.294 176.300 -0.029 0.000 1.032 111 R CA 0.512 56.582 56.100 -0.050 0.000 0.693 111 R CB -1.684 28.562 30.300 -0.090 0.000 1.134 111 R HN 0.631 nan 8.270 nan 0.000 0.433 112 A N 0.857 123.664 122.820 -0.021 0.000 2.325 112 A HA 0.375 4.695 4.320 -0.000 0.000 0.333 112 A C 0.095 177.670 177.584 -0.015 0.000 1.155 112 A CA -0.582 51.450 52.037 -0.008 0.000 0.814 112 A CB 0.987 19.985 19.000 -0.003 0.000 1.206 112 A HN 0.333 nan 8.150 nan 0.000 0.482 113 E N 1.992 122.192 120.200 -0.001 0.000 2.104 113 E HA 0.342 4.692 4.350 -0.000 0.000 0.278 113 E C -1.052 175.525 176.600 -0.039 0.000 1.127 113 E CA -0.191 56.190 56.400 -0.031 0.000 0.897 113 E CB 0.297 30.008 29.700 0.018 0.000 1.043 113 E HN 0.370 nan 8.360 nan 0.000 0.410 114 V N 6.629 126.475 119.914 -0.114 0.000 2.406 114 V HA 0.171 4.291 4.120 -0.000 0.000 0.272 114 V C 0.078 176.050 176.094 -0.203 0.000 1.043 114 V CA -0.470 61.783 62.300 -0.079 0.000 0.915 114 V CB 0.792 32.588 31.823 -0.045 0.000 0.988 114 V HN 0.657 nan 8.190 nan 0.000 0.466 115 H N 2.943 122.010 119.070 -0.005 0.000 2.529 115 H HA 0.682 5.238 4.556 -0.000 0.000 0.348 115 H C -0.017 175.305 175.328 -0.010 0.000 1.152 115 H CA -0.343 55.701 56.048 -0.007 0.000 1.202 115 H CB 2.439 32.192 29.762 -0.015 0.000 1.562 115 H HN 0.732 nan 8.280 nan 0.000 0.515 116 T N 0.094 114.712 114.554 0.107 0.000 2.909 116 T HA 0.622 4.972 4.350 -0.000 0.000 0.299 116 T C -0.084 174.659 174.700 0.073 0.000 1.073 116 T CA -0.963 61.173 62.100 0.061 0.000 0.999 116 T CB 1.405 70.300 68.868 0.046 0.000 1.098 116 T HN 0.531 nan 8.240 nan 0.000 0.477 117 I N -0.895 119.708 120.570 0.056 0.000 2.603 117 I HA 0.808 4.978 4.170 -0.000 0.000 0.300 117 I C -0.666 175.670 176.117 0.365 0.000 1.017 117 I CA -1.112 60.281 61.300 0.156 0.000 1.098 117 I CB 2.089 40.160 38.000 0.117 0.000 1.279 117 I HN 0.642 nan 8.210 nan 0.000 0.437 118 E N 3.956 124.398 120.200 0.403 0.000 2.248 118 E HA 0.599 4.949 4.350 -0.000 0.000 0.267 118 E C -1.141 175.563 176.600 0.175 0.000 0.877 118 E CA -0.932 55.697 56.400 0.382 0.000 0.759 118 E CB 3.143 32.982 29.700 0.232 0.000 1.182 118 E HN 0.621 nan 8.360 nan 0.000 0.418 119 V N -0.325 119.549 119.914 -0.066 0.000 2.960 119 V HA 0.702 4.822 4.120 -0.000 0.000 0.315 119 V C -2.546 173.572 176.094 0.039 0.000 1.087 119 V CA -2.385 59.787 62.300 -0.214 0.000 0.982 119 V CB 1.437 32.866 31.823 -0.656 0.000 1.039 119 V HN 0.526 nan 8.190 nan 0.000 0.437 120 P HA 0.295 nan 4.420 nan 0.000 0.276 120 P C -1.271 176.246 177.300 0.362 0.000 1.244 120 P CA -0.279 62.958 63.100 0.229 0.000 0.801 120 P CB 0.475 32.247 31.700 0.120 0.000 1.006 121 W N 0.600 121.981 121.300 0.135 0.000 2.308 121 W HA 0.421 5.081 4.660 -0.000 0.000 0.324 121 W C 1.046 177.666 176.519 0.169 0.000 1.387 121 W CA 0.067 57.562 57.345 0.250 0.000 1.250 121 W CB -0.354 29.327 29.460 0.368 0.000 1.257 121 W HN 0.408 nan 8.180 nan 0.000 0.554 122 G N 3.147 111.948 108.800 0.002 0.000 3.205 122 G HA2 0.492 4.452 3.960 -0.000 0.000 0.343 122 G HA3 0.492 4.452 3.960 -0.000 0.000 0.343 122 G C -0.500 174.335 174.900 -0.108 0.000 1.305 122 G CA -0.533 44.567 45.100 0.000 0.000 1.120 122 G HN 0.428 nan 8.290 nan 0.000 0.472 123 E N 0.398 120.570 120.200 -0.046 0.000 2.316 123 E HA 0.651 5.001 4.350 -0.000 0.000 0.258 123 E C -1.053 175.400 176.600 -0.243 0.000 0.952 123 E CA -0.942 55.372 56.400 -0.144 0.000 0.818 123 E CB 3.119 32.727 29.700 -0.154 0.000 1.260 123 E HN 0.199 nan 8.360 nan 0.000 0.416 124 V N 1.161 120.849 119.914 -0.377 0.000 2.960 124 V HA 0.413 4.533 4.120 -0.000 0.000 0.315 124 V C -1.108 174.671 176.094 -0.525 0.000 1.087 124 V CA -0.594 61.369 62.300 -0.561 0.000 0.982 124 V CB 1.400 32.852 31.823 -0.618 0.000 1.039 124 V HN 0.478 nan 8.190 nan 0.000 0.437 125 F N 1.583 121.293 119.950 -0.399 0.000 2.403 125 F HA 0.427 4.954 4.527 -0.000 0.000 0.320 125 F C 0.935 176.599 175.800 -0.228 0.000 1.176 125 F CA 0.286 58.145 58.000 -0.234 0.000 1.206 125 F CB 0.947 39.850 39.000 -0.162 0.000 1.235 125 F HN 0.331 nan 8.300 nan 0.000 0.565 126 T N 2.803 117.400 114.554 0.073 0.000 2.859 126 T HA 0.228 4.578 4.350 -0.000 0.000 0.281 126 T C -1.786 172.916 174.700 0.002 0.000 1.005 126 T CA -1.269 60.826 62.100 -0.008 0.000 1.025 126 T CB 1.892 70.750 68.868 -0.016 0.000 0.977 126 T HN 0.241 nan 8.240 nan 0.000 0.458 127 P HA -0.139 nan 4.420 nan 0.000 0.216 127 P C 0.984 178.262 177.300 -0.036 0.000 1.157 127 P CA 1.149 64.218 63.100 -0.052 0.000 0.880 127 P CB 0.211 31.875 31.700 -0.059 0.000 0.791 128 D N -1.084 119.304 120.400 -0.021 0.000 2.144 128 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 128 D C 2.114 178.408 176.300 -0.009 0.000 0.984 128 D CA 1.050 55.042 54.000 -0.014 0.000 0.834 128 D CB -0.562 40.233 40.800 -0.008 0.000 0.955 128 D HN 0.310 nan 8.370 nan 0.000 0.465 129 Q N 0.040 119.850 119.800 0.017 0.000 2.061 129 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 129 Q C 2.441 178.447 176.000 0.009 0.000 0.984 129 Q CA 1.630 57.465 55.803 0.052 0.000 0.846 129 Q CB -0.072 28.761 28.738 0.159 0.000 0.902 129 Q HN 0.367 nan 8.270 nan 0.000 0.421 130 V N -1.641 118.252 119.914 -0.035 0.000 2.548 130 V HA -0.186 3.934 4.120 -0.000 0.000 0.249 130 V C 1.915 177.933 176.094 -0.126 0.000 1.055 130 V CA 2.027 64.258 62.300 -0.115 0.000 1.065 130 V CB -0.471 31.252 31.823 -0.166 0.000 0.681 130 V HN 0.307 nan 8.190 nan 0.000 0.462 131 E N 0.523 120.662 120.200 -0.103 0.000 2.047 131 E HA -0.255 4.095 4.350 -0.000 0.000 0.191 131 E C 1.945 178.440 176.600 -0.176 0.000 0.987 131 E CA 1.642 57.962 56.400 -0.134 0.000 0.799 131 E CB -0.196 29.477 29.700 -0.045 0.000 0.752 131 E HN 0.657 nan 8.360 nan 0.000 0.449 132 D N 0.371 120.708 120.400 -0.105 0.000 2.133 132 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 132 D C 1.785 178.017 176.300 -0.114 0.000 0.997 132 D CA 1.461 55.405 54.000 -0.093 0.000 0.840 132 D CB -0.290 40.483 40.800 -0.044 0.000 0.947 132 D HN 0.330 nan 8.370 nan 0.000 0.452 133 A N 0.552 123.307 122.820 -0.108 0.000 1.873 133 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 133 A C 2.583 180.064 177.584 -0.171 0.000 1.186 133 A CA 0.992 52.962 52.037 -0.112 0.000 0.616 133 A CB -0.732 18.214 19.000 -0.090 0.000 0.823 133 A HN 0.131 nan 8.150 nan 0.000 0.442 134 V N 0.267 120.050 119.914 -0.218 0.000 2.287 134 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 134 V C 2.501 178.373 176.094 -0.371 0.000 1.053 134 V CA 2.495 64.623 62.300 -0.287 0.000 1.027 134 V CB -0.672 30.953 31.823 -0.330 0.000 0.646 134 V HN 0.556 nan 8.190 nan 0.000 0.447 135 K N -0.634 119.502 120.400 -0.440 0.000 2.057 135 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 135 K C 2.432 178.905 176.600 -0.213 0.000 1.049 135 K CA 1.441 57.503 56.287 -0.376 0.000 0.931 135 K CB -0.236 32.083 32.500 -0.303 0.000 0.714 135 K HN 0.337 nan 8.250 nan 0.000 0.440 136 R N 0.632 121.026 120.500 -0.176 0.000 2.070 136 R HA -0.083 4.257 4.340 -0.000 0.000 0.233 136 R C 2.221 178.434 176.300 -0.145 0.000 1.137 136 R CA 1.623 57.646 56.100 -0.127 0.000 0.945 136 R CB -0.114 30.127 30.300 -0.098 0.000 0.845 136 R HN 0.315 nan 8.270 nan 0.000 0.430 137 I N -2.393 118.057 120.570 -0.199 0.000 4.139 137 I HA 0.210 4.380 4.170 -0.000 0.000 0.335 137 I C -0.427 175.546 176.117 -0.239 0.000 1.327 137 I CA -0.050 61.083 61.300 -0.278 0.000 1.112 137 I CB 0.102 37.774 38.000 -0.548 0.000 1.058 137 I HN -0.009 nan 8.210 nan 0.000 0.396 138 R N 2.101 122.488 120.500 -0.189 0.000 3.059 138 R HA -0.097 4.243 4.340 -0.000 0.000 0.251 138 R C -2.421 173.816 176.300 -0.105 0.000 0.886 138 R CA 0.469 56.489 56.100 -0.132 0.000 0.634 138 R CB -1.708 28.541 30.300 -0.085 0.000 1.282 138 R HN 0.454 nan 8.270 nan 0.000 0.487 139 P HA 0.073 nan 4.420 nan 0.000 0.274 139 P C -0.019 177.274 177.300 -0.011 0.000 1.246 139 P CA -0.360 62.706 63.100 -0.057 0.000 0.795 139 P CB 0.898 32.569 31.700 -0.049 0.000 1.006 140 R N 0.483 120.990 120.500 0.012 0.000 2.100 140 R HA 0.136 4.476 4.340 -0.000 0.000 0.220 140 R C 0.196 176.522 176.300 0.043 0.000 1.091 140 R CA 0.752 56.868 56.100 0.027 0.000 0.986 140 R CB 0.124 30.440 30.300 0.027 0.000 0.888 140 R HN 0.379 nan 8.270 nan 0.000 0.444 141 L N 1.840 123.091 121.223 0.047 0.000 2.385 141 L HA 0.376 4.716 4.340 -0.000 0.000 0.273 141 L C -1.160 175.763 176.870 0.088 0.000 0.990 141 L CA -0.924 53.962 54.840 0.076 0.000 0.821 141 L CB 1.817 43.910 42.059 0.056 0.000 1.279 141 L HN 0.079 nan 8.230 nan 0.000 0.412 142 L N 5.089 126.399 121.223 0.146 0.000 2.264 142 L HA 0.445 4.785 4.340 -0.000 0.000 0.287 142 L C -0.768 176.273 176.870 0.285 0.000 1.039 142 L CA 0.060 54.998 54.840 0.163 0.000 0.829 142 L CB 0.595 42.718 42.059 0.108 0.000 1.211 142 L HN 0.409 nan 8.230 nan 0.000 0.427 143 L N 5.413 126.765 121.223 0.214 0.000 2.262 143 L HA 0.559 4.899 4.340 -0.000 0.000 0.288 143 L C 0.177 177.198 176.870 0.250 0.000 1.035 143 L CA -0.443 54.575 54.840 0.297 0.000 0.820 143 L CB 1.237 43.403 42.059 0.179 0.000 1.204 143 L HN 0.658 nan 8.230 nan 0.000 0.424 144 T N -0.041 114.666 114.554 0.255 0.000 2.908 144 T HA 0.711 5.061 4.350 -0.000 0.000 0.290 144 T C -0.325 174.438 174.700 0.104 0.000 1.034 144 T CA -0.769 61.439 62.100 0.181 0.000 1.010 144 T CB 2.254 71.258 68.868 0.226 0.000 1.068 144 T HN 0.099 nan 8.240 nan 0.000 0.481 145 V N 2.468 122.479 119.914 0.163 0.000 2.532 145 V HA 0.353 4.473 4.120 -0.000 0.000 0.295 145 V C 1.310 177.567 176.094 0.272 0.000 1.041 145 V CA -0.562 61.806 62.300 0.113 0.000 0.926 145 V CB 1.381 33.184 31.823 -0.033 0.000 0.992 145 V HN 1.075 nan 8.190 nan 0.000 0.457 146 Q N 2.887 122.776 119.800 0.149 0.000 2.042 146 Q HA 0.170 4.510 4.340 -0.000 0.000 0.194 146 Q C 1.012 177.157 176.000 0.242 0.000 0.978 146 Q CA 0.995 56.906 55.803 0.179 0.000 0.828 146 Q CB 0.228 29.024 28.738 0.098 0.000 0.901 146 Q HN 0.903 nan 8.270 nan 0.000 0.461 147 G N 1.424 110.315 108.800 0.151 0.000 2.468 147 G HA2 0.174 4.134 3.960 -0.000 0.000 0.315 147 G HA3 0.174 4.134 3.960 -0.000 0.000 0.315 147 G C -1.562 173.402 174.900 0.107 0.000 1.203 147 G CA -0.417 44.775 45.100 0.153 0.000 0.962 147 G HN 0.149 nan 8.290 nan 0.000 0.476 148 D N 2.637 123.147 120.400 0.184 0.000 2.347 148 D HA 0.138 4.778 4.640 -0.000 0.000 0.235 148 D C 1.816 178.208 176.300 0.154 0.000 1.149 148 D CA -0.252 53.814 54.000 0.110 0.000 0.850 148 D CB 1.361 42.092 40.800 -0.116 0.000 1.061 148 D HN 0.365 nan 8.370 nan 0.000 0.487 149 T N -0.227 114.443 114.554 0.194 0.000 3.007 149 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 149 T C 1.815 176.622 174.700 0.179 0.000 1.107 149 T CA 1.143 63.355 62.100 0.186 0.000 1.118 149 T CB -0.115 68.863 68.868 0.183 0.000 0.889 149 T HN 0.290 nan 8.240 nan 0.000 0.506 150 S N 1.865 117.659 115.700 0.157 0.000 2.447 150 S HA -0.086 4.384 4.470 -0.000 0.000 0.233 150 S C 1.997 176.586 174.600 -0.019 0.000 1.006 150 S CA 1.137 59.341 58.200 0.006 0.000 0.957 150 S CB -0.906 62.182 63.200 -0.187 0.000 0.773 150 S HN 0.796 nan 8.310 nan 0.000 0.507 151 T N -2.833 111.738 114.554 0.029 0.000 3.004 151 T HA 0.230 4.580 4.350 -0.000 0.000 0.266 151 T C 1.057 175.949 174.700 0.320 0.000 0.986 151 T CA 0.900 63.155 62.100 0.258 0.000 0.902 151 T CB -0.238 68.725 68.868 0.158 0.000 1.118 151 T HN 1.016 nan 8.240 nan 0.000 0.522 152 T N 0.417 115.098 114.554 0.212 0.000 6.157 152 T HA -0.195 4.155 4.350 -0.000 0.000 0.281 152 T C 0.135 174.937 174.700 0.170 0.000 2.039 152 T CA 0.834 63.046 62.100 0.185 0.000 3.312 152 T CB -2.490 66.493 68.868 0.192 0.000 1.589 152 T HN 0.418 nan 8.240 nan 0.000 1.129 153 M N 1.172 120.891 119.600 0.198 0.000 2.249 153 M HA 0.549 5.029 4.480 -0.000 0.000 0.351 153 M C 0.365 176.790 176.300 0.207 0.000 1.180 153 M CA -1.405 54.001 55.300 0.177 0.000 1.127 153 M CB 1.272 33.971 32.600 0.166 0.000 1.546 153 M HN 0.412 nan 8.290 nan 0.000 0.461 154 L N 3.863 125.160 121.223 0.124 0.000 2.316 154 L HA 0.334 4.674 4.340 -0.000 0.000 0.280 154 L C -0.612 176.265 176.870 0.012 0.000 1.006 154 L CA -0.541 54.369 54.840 0.116 0.000 0.836 154 L CB 1.407 43.537 42.059 0.119 0.000 1.221 154 L HN 0.742 nan 8.230 nan 0.000 0.418 155 Q N 7.342 127.107 119.800 -0.058 0.000 2.286 155 Q HA 0.321 4.661 4.340 -0.000 0.000 0.267 155 Q C -2.350 173.612 176.000 -0.063 0.000 1.028 155 Q CA -1.125 54.556 55.803 -0.204 0.000 0.901 155 Q CB 1.002 29.586 28.738 -0.256 0.000 1.183 155 Q HN 0.355 nan 8.270 nan 0.000 0.392 156 P HA -0.004 nan 4.420 nan 0.000 0.271 156 P C -0.637 176.554 177.300 -0.182 0.000 1.220 156 P CA -0.068 62.956 63.100 -0.127 0.000 0.768 156 P CB 0.771 32.416 31.700 -0.093 0.000 0.848 157 L N 2.677 123.693 121.223 -0.345 0.000 2.749 157 L HA 0.256 4.596 4.340 -0.000 0.000 0.242 157 L C 2.103 178.711 176.870 -0.435 0.000 1.103 157 L CA 0.740 55.464 54.840 -0.193 0.000 0.906 157 L CB -1.344 40.764 42.059 0.082 0.000 1.228 157 L HN 0.320 nan 8.230 nan 0.000 0.517 158 A N -0.007 122.160 122.820 -1.088 0.000 1.873 158 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 158 A C 2.113 179.448 177.584 -0.414 0.000 1.193 158 A CA 2.084 53.428 52.037 -1.156 0.000 0.629 158 A CB -0.418 17.922 19.000 -1.101 0.000 0.826 158 A HN 0.459 nan 8.150 nan 0.000 0.447 159 E N -0.957 119.062 120.200 -0.301 0.000 2.418 159 E HA -0.030 4.320 4.350 -0.000 0.000 0.197 159 E C 1.508 178.008 176.600 -0.167 0.000 1.026 159 E CA 0.267 56.563 56.400 -0.174 0.000 0.862 159 E CB -0.059 29.559 29.700 -0.136 0.000 0.799 159 E HN 0.422 nan 8.360 nan 0.000 0.518 160 L N -0.387 120.710 121.223 -0.210 0.000 2.179 160 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 160 L C 2.272 178.843 176.870 -0.500 0.000 1.096 160 L CA 1.337 55.977 54.840 -0.335 0.000 0.779 160 L CB -0.737 41.107 42.059 -0.359 0.000 0.922 160 L HN 0.135 nan 8.230 nan 0.000 0.443 161 G N -1.379 107.260 108.800 -0.269 0.000 2.432 161 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.219 161 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.219 161 G C 1.571 176.429 174.900 -0.071 0.000 1.135 161 G CA 0.257 45.301 45.100 -0.093 0.000 0.767 161 G HN 0.264 nan 8.290 nan 0.000 0.550 162 E N 0.269 120.425 120.200 -0.073 0.000 2.152 162 E HA 0.020 4.370 4.350 -0.000 0.000 0.192 162 E C 2.597 179.148 176.600 -0.082 0.000 0.983 162 E CA 0.233 56.598 56.400 -0.058 0.000 0.818 162 E CB -0.044 29.628 29.700 -0.047 0.000 0.758 162 E HN 0.539 nan 8.360 nan 0.000 0.467 163 I N -0.045 120.470 120.570 -0.093 0.000 2.315 163 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 163 I C 2.415 178.555 176.117 0.038 0.000 1.117 163 I CA 0.588 61.885 61.300 -0.006 0.000 1.404 163 I CB -0.248 37.742 38.000 -0.017 0.000 1.071 163 I HN 0.094 nan 8.210 nan 0.000 0.419 164 C N 0.316 119.556 119.300 -0.099 0.000 2.450 164 C HA -0.061 4.399 4.460 -0.000 0.000 0.279 164 C C 2.897 177.882 174.990 -0.008 0.000 1.335 164 C CA 0.511 59.494 59.018 -0.058 0.000 1.749 164 C CB -1.157 26.483 27.740 -0.166 0.000 1.963 164 C HN 0.404 nan 8.230 nan 0.000 0.501 165 R N 0.355 120.834 120.500 -0.036 0.000 2.092 165 R HA -0.033 4.307 4.340 -0.000 0.000 0.231 165 R C 2.485 178.725 176.300 -0.100 0.000 1.119 165 R CA 0.963 57.041 56.100 -0.037 0.000 0.970 165 R CB -0.187 30.097 30.300 -0.028 0.000 0.864 165 R HN 0.522 nan 8.270 nan 0.000 0.440 166 R N -0.827 119.553 120.500 -0.201 0.000 2.092 166 R HA -0.116 4.224 4.340 -0.000 0.000 0.231 166 R C 0.803 176.786 176.300 -0.527 0.000 1.119 166 R CA 1.289 57.125 56.100 -0.439 0.000 0.970 166 R CB 0.119 29.988 30.300 -0.718 0.000 0.864 166 R HN 0.275 nan 8.270 nan 0.000 0.440 167 Y N -0.543 119.733 120.300 -0.040 0.000 2.555 167 Y HA 0.148 4.698 4.550 -0.000 0.000 0.259 167 Y C -0.120 175.764 175.900 -0.026 0.000 1.179 167 Y CA -0.705 57.373 58.100 -0.036 0.000 1.230 167 Y CB 0.314 38.744 38.460 -0.050 0.000 1.146 167 Y HN 0.015 nan 8.280 nan 0.000 0.526 168 D N 0.814 121.251 120.400 0.062 0.000 2.723 168 D HA -0.177 4.463 4.640 -0.000 0.000 0.236 168 D C -0.202 176.137 176.300 0.065 0.000 1.138 168 D CA 0.727 54.757 54.000 0.049 0.000 0.676 168 D CB -0.820 40.003 40.800 0.038 0.000 1.069 168 D HN 0.366 nan 8.370 nan 0.000 0.430 169 A N 0.517 123.381 122.820 0.074 0.000 2.305 169 A HA 0.679 4.999 4.320 -0.000 0.000 0.322 169 A C 0.247 177.887 177.584 0.094 0.000 1.187 169 A CA -0.646 51.432 52.037 0.069 0.000 0.825 169 A CB 0.852 19.883 19.000 0.052 0.000 1.164 169 A HN 0.265 nan 8.150 nan 0.000 0.498 170 L N 2.276 123.564 121.223 0.108 0.000 2.410 170 L HA 0.232 4.572 4.340 -0.000 0.000 0.273 170 L C -0.495 176.529 176.870 0.256 0.000 1.152 170 L CA -0.009 54.922 54.840 0.151 0.000 0.855 170 L CB 0.289 42.413 42.059 0.108 0.000 1.129 170 L HN 0.670 nan 8.230 nan 0.000 0.463 171 F N 5.087 125.083 119.950 0.078 0.000 2.361 171 F HA 0.356 4.883 4.527 -0.000 0.000 0.364 171 F C -0.582 175.295 175.800 0.127 0.000 1.117 171 F CA -1.179 56.874 58.000 0.089 0.000 1.071 171 F CB 0.628 39.668 39.000 0.067 0.000 1.188 171 F HN 0.260 nan 8.300 nan 0.000 0.464 172 Y N 4.387 124.686 120.300 -0.002 0.000 2.468 172 Y HA 0.634 5.184 4.550 -0.000 0.000 0.342 172 Y C -0.946 174.801 175.900 -0.255 0.000 1.021 172 Y CA -0.461 57.540 58.100 -0.165 0.000 1.079 172 Y CB 1.890 40.320 38.460 -0.051 0.000 1.226 172 Y HN 0.579 nan 8.280 nan 0.000 0.460 173 T N 4.140 117.939 114.554 -1.258 0.000 2.909 173 T HA 0.218 4.568 4.350 -0.000 0.000 0.299 173 T C -2.060 171.981 174.700 -1.099 0.000 1.073 173 T CA -0.705 60.803 62.100 -0.986 0.000 0.999 173 T CB 1.011 69.576 68.868 -0.505 0.000 1.098 173 T HN 0.720 nan 8.240 nan 0.000 0.477 174 D N 2.521 122.593 120.400 -0.547 0.000 2.347 174 D HA 0.581 5.221 4.640 -0.000 0.000 0.235 174 D C 0.060 176.277 176.300 -0.138 0.000 1.149 174 D CA -0.458 53.402 54.000 -0.233 0.000 0.850 174 D CB 1.125 41.905 40.800 -0.035 0.000 1.061 174 D HN 0.599 nan 8.370 nan 0.000 0.487 175 A N 2.973 125.737 122.820 -0.094 0.000 2.610 175 A HA 0.117 4.437 4.320 -0.000 0.000 0.291 175 A C 1.568 179.133 177.584 -0.032 0.000 1.116 175 A CA 0.222 52.236 52.037 -0.039 0.000 0.963 175 A CB -0.294 18.709 19.000 0.004 0.000 1.220 175 A HN 0.563 nan 8.150 nan 0.000 0.530 176 T N -2.644 111.874 114.554 -0.059 0.000 2.881 176 T HA -0.019 4.331 4.350 -0.000 0.000 0.270 176 T C 1.636 176.292 174.700 -0.073 0.000 1.068 176 T CA 2.001 64.065 62.100 -0.060 0.000 1.131 176 T CB -0.186 68.632 68.868 -0.082 0.000 0.871 176 T HN 0.564 nan 8.240 nan 0.000 0.479 177 A N 0.957 123.719 122.820 -0.097 0.000 2.044 177 A HA 0.296 4.616 4.320 -0.000 0.000 0.213 177 A C 2.538 180.094 177.584 -0.047 0.000 1.169 177 A CA 1.090 53.082 52.037 -0.075 0.000 0.724 177 A CB -0.228 18.710 19.000 -0.103 0.000 0.840 177 A HN 0.702 nan 8.150 nan 0.000 0.463 178 S N -1.042 114.633 115.700 -0.041 0.000 2.499 178 S HA 0.240 4.710 4.470 -0.000 0.000 0.225 178 S C 0.509 175.068 174.600 -0.069 0.000 1.050 178 S CA -0.201 57.977 58.200 -0.035 0.000 0.928 178 S CB -0.699 62.511 63.200 0.016 0.000 0.803 178 S HN 0.335 nan 8.310 nan 0.000 0.506 179 L N 3.343 124.529 121.223 -0.061 0.000 2.540 179 L HA 0.473 4.813 4.340 -0.000 0.000 0.276 179 L C 1.282 178.078 176.870 -0.123 0.000 1.212 179 L CA 1.741 56.528 54.840 -0.087 0.000 0.893 179 L CB -0.165 41.838 42.059 -0.094 0.000 1.138 179 L HN 0.612 nan 8.230 nan 0.000 0.491 180 G N 2.768 111.487 108.800 -0.134 0.000 2.225 180 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.254 180 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.254 180 G C 0.740 175.483 174.900 -0.263 0.000 0.988 180 G CA 0.331 45.354 45.100 -0.128 0.000 0.625 180 G HN 1.367 nan 8.290 nan 0.000 0.527 181 G N -0.731 107.821 108.800 -0.414 0.000 2.945 181 G HA2 0.430 4.390 3.960 -0.000 0.000 0.225 181 G HA3 0.430 4.390 3.960 -0.000 0.000 0.225 181 G C 0.176 174.916 174.900 -0.266 0.000 1.046 181 G CA 0.587 45.214 45.100 -0.789 0.000 0.842 181 G HN 0.510 nan 8.290 nan 0.000 0.543 182 N N 0.373 118.993 118.700 -0.133 0.000 2.329 182 N HA 0.327 5.066 4.740 -0.000 0.000 0.282 182 N C -3.327 172.178 175.510 -0.007 0.000 1.198 182 N CA -1.108 51.928 53.050 -0.024 0.000 0.790 182 N CB 2.635 41.133 38.487 0.018 0.000 1.579 182 N HN -0.230 nan 8.380 nan 0.000 0.475 183 P HA 0.136 nan 4.420 nan 0.000 0.265 183 P C -0.798 176.467 177.300 -0.059 0.000 1.193 183 P CA -0.026 63.074 63.100 -0.001 0.000 0.765 183 P CB 0.487 32.256 31.700 0.116 0.000 0.823 184 L N 3.014 124.054 121.223 -0.306 0.000 2.620 184 L HA 0.280 4.620 4.340 -0.000 0.000 0.261 184 L C -0.856 175.614 176.870 -0.667 0.000 0.978 184 L CA -0.094 54.466 54.840 -0.466 0.000 0.897 184 L CB 1.364 43.353 42.059 -0.118 0.000 1.207 184 L HN 0.146 nan 8.230 nan 0.000 0.425 185 E N 3.573 122.960 120.200 -1.355 0.000 2.079 185 E HA 0.243 4.593 4.350 -0.000 0.000 0.252 185 E C 0.775 177.062 176.600 -0.523 0.000 0.992 185 E CA -0.189 55.636 56.400 -0.958 0.000 0.829 185 E CB 0.965 29.913 29.700 -1.252 0.000 1.158 185 E HN 0.644 nan 8.360 nan 0.000 0.435 186 T N 1.565 115.978 114.554 -0.234 0.000 2.635 186 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 186 T C 0.945 175.628 174.700 -0.028 0.000 1.040 186 T CA 1.680 63.727 62.100 -0.089 0.000 1.156 186 T CB 0.102 68.933 68.868 -0.062 0.000 0.863 186 T HN 0.276 nan 8.240 nan 0.000 0.430 187 D N 0.606 120.981 120.400 -0.041 0.000 2.149 187 D HA 0.107 4.747 4.640 -0.000 0.000 0.206 187 D C 2.462 178.791 176.300 0.049 0.000 0.967 187 D CA 1.070 55.074 54.000 0.007 0.000 0.848 187 D CB -0.827 39.969 40.800 -0.008 0.000 0.998 187 D HN 0.374 nan 8.370 nan 0.000 0.474 188 V N 0.479 120.399 119.914 0.010 0.000 2.392 188 V HA -0.196 3.924 4.120 -0.000 0.000 0.249 188 V C 1.861 178.135 176.094 0.299 0.000 1.059 188 V CA 1.615 63.970 62.300 0.092 0.000 1.051 188 V CB -0.756 31.079 31.823 0.019 0.000 0.658 188 V HN 0.140 nan 8.190 nan 0.000 0.455 189 W N 0.197 121.535 121.300 0.064 0.000 3.180 189 W HA 0.458 5.118 4.660 -0.000 0.000 0.254 189 W C 1.647 178.269 176.519 0.171 0.000 1.318 189 W CA 0.203 57.614 57.345 0.110 0.000 1.608 189 W CB -0.856 28.674 29.460 0.116 0.000 1.124 189 W HN 0.649 nan 8.180 nan 0.000 0.694 190 G N 0.861 109.852 108.800 0.317 0.000 2.160 190 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.251 190 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.251 190 G C 0.070 175.154 174.900 0.308 0.000 1.008 190 G CA -0.276 44.979 45.100 0.257 0.000 0.724 190 G HN 0.170 nan 8.290 nan 0.000 0.514 191 L N 0.503 121.857 121.223 0.220 0.000 2.410 191 L HA 0.241 4.581 4.340 -0.000 0.000 0.273 191 L C 1.314 178.196 176.870 0.019 0.000 1.152 191 L CA -0.322 54.529 54.840 0.018 0.000 0.855 191 L CB 0.582 42.525 42.059 -0.193 0.000 1.129 191 L HN 0.093 nan 8.230 nan 0.000 0.463 192 D N 2.397 122.826 120.400 0.048 0.000 2.213 192 D HA 0.119 4.759 4.640 -0.000 0.000 0.205 192 D C 0.339 176.641 176.300 0.004 0.000 0.961 192 D CA 0.712 54.744 54.000 0.053 0.000 0.853 192 D CB 0.592 41.456 40.800 0.106 0.000 0.967 192 D HN 0.551 nan 8.370 nan 0.000 0.496 193 A N 0.337 123.146 122.820 -0.018 0.000 2.517 193 A HA 0.557 4.877 4.320 -0.000 0.000 0.297 193 A C -1.197 176.325 177.584 -0.102 0.000 1.050 193 A CA -0.530 51.503 52.037 -0.006 0.000 0.694 193 A CB 1.895 20.978 19.000 0.138 0.000 1.277 193 A HN -0.107 nan 8.150 nan 0.000 0.400 194 V N 1.764 121.550 119.914 -0.214 0.000 2.686 194 V HA 0.740 4.860 4.120 -0.000 0.000 0.306 194 V C 0.143 176.140 176.094 -0.162 0.000 1.065 194 V CA -0.292 61.834 62.300 -0.289 0.000 0.894 194 V CB 1.939 33.559 31.823 -0.337 0.000 1.004 194 V HN 1.257 nan 8.190 nan 0.000 0.424 195 S N 2.968 118.661 115.700 -0.011 0.000 2.578 195 S HA 1.002 5.472 4.470 -0.000 0.000 0.301 195 S C -0.311 174.362 174.600 0.121 0.000 1.091 195 S CA 0.001 58.258 58.200 0.095 0.000 1.032 195 S CB 2.401 65.694 63.200 0.155 0.000 1.064 195 S HN 1.563 nan 8.310 nan 0.000 0.508 196 A N 0.971 123.876 122.820 0.142 0.000 2.566 196 A HA 1.039 5.359 4.320 -0.000 0.000 0.291 196 A C -0.060 177.543 177.584 0.033 0.000 1.278 196 A CA -0.558 51.529 52.037 0.083 0.000 0.711 196 A CB 0.952 20.006 19.000 0.091 0.000 1.332 196 A HN 1.774 nan 8.150 nan 0.000 0.478 197 G N -1.922 106.883 108.800 0.009 0.000 2.692 197 G HA2 0.505 4.465 3.960 -0.000 0.000 0.291 197 G HA3 0.505 4.465 3.960 -0.000 0.000 0.291 197 G C 0.024 174.936 174.900 0.021 0.000 1.423 197 G CA -0.401 44.706 45.100 0.012 0.000 0.843 197 G HN 0.365 nan 8.290 nan 0.000 0.486 198 M N -0.021 119.601 119.600 0.037 0.000 2.325 198 M HA 0.092 4.572 4.480 -0.000 0.000 0.265 198 M C 1.707 178.038 176.300 0.052 0.000 1.094 198 M CA 0.666 55.998 55.300 0.054 0.000 1.161 198 M CB -1.187 31.451 32.600 0.064 0.000 1.358 198 M HN 0.717 nan 8.290 nan 0.000 0.446 202 L N 1.525 122.790 121.223 0.069 0.000 2.249 202 L HA 0.408 4.748 4.340 -0.000 0.000 0.207 202 L C 1.758 178.672 176.870 0.074 0.000 1.090 202 L CA 2.500 57.378 54.840 0.063 0.000 0.802 202 L CB -0.645 41.450 42.059 0.060 0.000 0.947 202 L HN 0.544 nan 8.230 nan 0.000 0.453 203 G N -0.190 108.657 108.800 0.079 0.000 2.417 203 G HA2 0.155 4.115 3.960 -0.000 0.000 0.291 203 G HA3 0.155 4.115 3.960 -0.000 0.000 0.291 203 G C 0.596 175.517 174.900 0.036 0.000 1.094 203 G CA 0.309 45.453 45.100 0.073 0.000 1.146 203 G HN 0.952 nan 8.290 nan 0.000 0.519 204 G N -0.190 108.634 108.800 0.041 0.000 2.720 204 G HA2 0.333 4.293 3.960 -0.000 0.000 0.207 204 G HA3 0.333 4.293 3.960 -0.000 0.000 0.207 204 G C -1.933 172.998 174.900 0.052 0.000 1.068 204 G CA -0.039 45.094 45.100 0.056 0.000 1.077 204 G HN 0.905 nan 8.290 nan 0.000 0.597 205 P HA 0.482 nan 4.420 nan 0.000 0.286 205 P C 0.704 178.035 177.300 0.052 0.000 1.261 205 P CA -0.027 63.102 63.100 0.048 0.000 0.821 205 P CB 1.469 33.194 31.700 0.042 0.000 1.013 206 S N 0.734 116.466 115.700 0.053 0.000 2.579 206 S HA 0.459 4.929 4.470 -0.000 0.000 0.275 206 S C 1.088 175.721 174.600 0.055 0.000 1.345 206 S CA 0.614 58.846 58.200 0.055 0.000 1.031 206 S CB -0.120 63.114 63.200 0.057 0.000 0.892 206 S HN 0.899 nan 8.310 nan 0.000 0.529 207 G N 0.905 109.741 108.800 0.060 0.000 2.613 207 G HA2 0.072 4.032 3.960 -0.000 0.000 0.199 207 G HA3 0.072 4.032 3.960 -0.000 0.000 0.199 207 G C -0.070 174.877 174.900 0.078 0.000 0.991 207 G CA 0.045 45.185 45.100 0.066 0.000 0.756 207 G HN 1.044 nan 8.290 nan 0.000 0.515 208 T N 0.234 114.831 114.554 0.071 0.000 2.909 208 T HA 0.656 5.006 4.350 -0.000 0.000 0.299 208 T C -0.918 173.809 174.700 0.045 0.000 1.073 208 T CA -0.005 62.137 62.100 0.070 0.000 0.999 208 T CB 2.081 70.990 68.868 0.068 0.000 1.098 208 T HN 0.464 nan 8.240 nan 0.000 0.477 209 S N 2.778 118.499 115.700 0.035 0.000 2.733 209 S HA 0.548 5.018 4.470 -0.000 0.000 0.307 209 S C -2.851 171.724 174.600 -0.043 0.000 1.127 209 S CA -1.598 56.609 58.200 0.013 0.000 1.097 209 S CB 0.455 63.680 63.200 0.041 0.000 1.003 209 S HN 0.282 nan 8.310 nan 0.000 0.477 210 P HA 0.321 nan 4.420 nan 0.000 0.271 210 P C -0.559 176.831 177.300 0.150 0.000 1.226 210 P CA -0.199 62.810 63.100 -0.150 0.000 0.765 210 P CB 0.264 31.707 31.700 -0.427 0.000 0.835 211 I N -0.655 119.923 120.570 0.012 0.000 3.002 211 I HA 0.869 5.039 4.170 -0.000 0.000 0.310 211 I C -0.739 175.160 176.117 -0.363 0.000 1.087 211 I CA -0.796 60.426 61.300 -0.130 0.000 1.017 211 I CB 2.799 40.734 38.000 -0.107 0.000 1.226 211 I HN 0.145 nan 8.210 nan 0.000 0.443 212 T N 4.221 118.436 114.554 -0.565 0.000 2.956 212 T HA 0.668 5.018 4.350 -0.000 0.000 0.312 212 T C -1.455 173.090 174.700 -0.258 0.000 1.151 212 T CA -0.545 61.271 62.100 -0.474 0.000 1.024 212 T CB 1.268 69.662 68.868 -0.790 0.000 1.140 212 T HN 0.607 nan 8.240 nan 0.000 0.473 213 L N 3.996 125.159 121.223 -0.099 0.000 2.381 213 L HA 0.579 4.919 4.340 -0.000 0.000 0.274 213 L C 0.680 177.567 176.870 0.028 0.000 0.988 213 L CA -1.146 53.682 54.840 -0.020 0.000 0.824 213 L CB 2.136 44.210 42.059 0.024 0.000 1.263 213 L HN 0.781 nan 8.230 nan 0.000 0.410 214 S N 1.575 117.284 115.700 0.016 0.000 2.584 214 S HA 0.299 4.769 4.470 -0.000 0.000 0.270 214 S C 1.339 175.982 174.600 0.072 0.000 1.346 214 S CA 0.004 58.225 58.200 0.035 0.000 1.018 214 S CB 1.604 64.825 63.200 0.035 0.000 0.899 214 S HN 0.744 nan 8.310 nan 0.000 0.542 215 A N 1.896 124.759 122.820 0.070 0.000 2.032 215 A HA -0.141 4.179 4.320 -0.000 0.000 0.221 215 A C 2.333 179.963 177.584 0.078 0.000 1.165 215 A CA 1.540 53.630 52.037 0.088 0.000 0.645 215 A CB -0.705 18.332 19.000 0.061 0.000 0.807 215 A HN 0.900 nan 8.150 nan 0.000 0.453 216 R N -1.608 118.929 120.500 0.062 0.000 2.075 216 R HA -0.006 4.334 4.340 -0.000 0.000 0.226 216 R C 2.109 178.438 176.300 0.048 0.000 1.114 216 R CA 1.120 57.252 56.100 0.053 0.000 0.972 216 R CB -0.237 30.095 30.300 0.053 0.000 0.869 216 R HN 0.425 nan 8.270 nan 0.000 0.437 217 M N 1.144 120.773 119.600 0.049 0.000 2.086 217 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 217 M C 2.033 178.344 176.300 0.018 0.000 1.067 217 M CA 1.918 57.237 55.300 0.032 0.000 1.116 217 M CB -0.759 31.858 32.600 0.028 0.000 1.348 217 M HN 0.202 nan 8.290 nan 0.000 0.407 218 E N -0.631 119.594 120.200 0.041 0.000 2.204 218 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 218 E C 1.808 178.414 176.600 0.009 0.000 0.989 218 E CA 1.465 57.873 56.400 0.012 0.000 0.824 218 E CB -0.500 29.261 29.700 0.102 0.000 0.756 218 E HN 0.603 nan 8.360 nan 0.000 0.477 219 E N 0.774 120.996 120.200 0.037 0.000 2.051 219 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 219 E C 2.100 178.705 176.600 0.009 0.000 0.991 219 E CA 1.181 57.599 56.400 0.029 0.000 0.799 219 E CB -0.195 29.528 29.700 0.039 0.000 0.748 219 E HN 0.405 nan 8.360 nan 0.000 0.449 220 A N 0.860 123.685 122.820 0.008 0.000 1.933 220 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 220 A C 2.119 179.692 177.584 -0.019 0.000 1.175 220 A CA 1.235 53.272 52.037 0.000 0.000 0.628 220 A CB -0.547 18.457 19.000 0.007 0.000 0.814 220 A HN 0.308 nan 8.150 nan 0.000 0.444 221 I N -1.483 119.066 120.570 -0.035 0.000 2.315 221 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 221 I C 2.577 178.651 176.117 -0.071 0.000 1.117 221 I CA 1.088 62.350 61.300 -0.063 0.000 1.404 221 I CB -0.178 37.767 38.000 -0.093 0.000 1.071 221 I HN 0.120 nan 8.210 nan 0.000 0.419 222 R N 0.833 121.296 120.500 -0.061 0.000 2.189 222 R HA -0.019 4.321 4.340 -0.000 0.000 0.223 222 R C 2.107 178.387 176.300 -0.034 0.000 1.092 222 R CA 0.844 56.911 56.100 -0.054 0.000 0.989 222 R CB -0.304 29.976 30.300 -0.033 0.000 0.876 222 R HN 0.263 nan 8.270 nan 0.000 0.457 223 R N -0.141 120.344 120.500 -0.025 0.000 2.285 223 R HA 0.028 4.368 4.340 -0.000 0.000 0.213 223 R C 1.052 177.335 176.300 -0.028 0.000 1.068 223 R CA 0.662 56.752 56.100 -0.017 0.000 1.004 223 R CB 0.066 30.361 30.300 -0.007 0.000 0.873 223 R HN 0.096 nan 8.270 nan 0.000 0.467 224 R N 0.955 121.428 120.500 -0.045 0.000 2.359 224 R HA 0.056 4.396 4.340 -0.000 0.000 0.231 224 R C 0.427 176.681 176.300 -0.077 0.000 0.913 224 R CA 0.102 56.163 56.100 -0.065 0.000 1.075 224 R CB -0.123 30.131 30.300 -0.077 0.000 1.087 224 R HN 0.048 nan 8.270 nan 0.000 0.515 225 K N 1.433 121.795 120.400 -0.062 0.000 2.472 225 K HA -0.094 4.225 4.320 -0.000 0.000 0.269 225 K C 0.000 176.560 176.600 -0.066 0.000 1.056 225 K CA 0.756 57.005 56.287 -0.063 0.000 1.158 225 K CB -0.730 31.750 32.500 -0.033 0.000 0.821 225 K HN 0.474 nan 8.250 nan 0.000 0.486 226 C N 3.298 122.547 119.300 -0.086 0.000 3.080 226 C HA 0.437 4.897 4.460 -0.000 0.000 0.388 226 C C -0.874 174.057 174.990 -0.098 0.000 1.079 226 C CA -0.535 58.435 59.018 -0.080 0.000 1.289 226 C CB -0.234 27.452 27.740 -0.091 0.000 1.702 226 C HN 0.809 nan 8.230 nan 0.000 0.516 227 V N 5.050 124.901 119.914 -0.105 0.000 2.607 227 V HA 0.346 4.466 4.120 -0.000 0.000 0.289 227 V C 0.722 176.773 176.094 -0.071 0.000 1.053 227 V CA -0.043 62.170 62.300 -0.145 0.000 0.996 227 V CB 1.522 33.162 31.823 -0.305 0.000 0.995 227 V HN 0.871 nan 8.190 nan 0.000 0.476 228 E N 2.885 123.055 120.200 -0.049 0.000 2.442 228 E HA 0.036 4.386 4.350 -0.000 0.000 0.262 228 E C 1.202 177.802 176.600 -0.000 0.000 1.004 228 E CA 0.588 56.982 56.400 -0.010 0.000 0.928 228 E CB 0.966 30.677 29.700 0.018 0.000 0.937 228 E HN 0.861 nan 8.360 nan 0.000 0.446 229 E N 3.607 123.811 120.200 0.007 0.000 2.347 229 E HA 0.012 4.362 4.350 -0.000 0.000 0.196 229 E C 0.819 177.430 176.600 0.018 0.000 1.008 229 E CA 0.834 57.242 56.400 0.014 0.000 0.852 229 E CB -0.210 29.497 29.700 0.012 0.000 0.783 229 E HN 0.669 nan 8.360 nan 0.000 0.505 233 T N -0.719 113.953 114.554 0.196 0.000 2.814 233 T HA 0.272 4.622 4.350 -0.000 0.000 0.284 233 T C 0.503 175.229 174.700 0.043 0.000 0.998 233 T CA -0.433 61.717 62.100 0.083 0.000 0.935 233 T CB 0.747 69.625 68.868 0.016 0.000 1.167 233 T HN 0.454 nan 8.240 nan 0.000 0.545 234 D N -0.152 120.238 120.400 -0.016 0.000 2.325 234 D HA 0.394 5.034 4.640 -0.000 0.000 0.225 234 D C 1.390 177.643 176.300 -0.079 0.000 1.096 234 D CA 0.080 54.065 54.000 -0.026 0.000 0.844 234 D CB -0.204 40.585 40.800 -0.018 0.000 0.925 234 D HN 0.655 nan 8.370 nan 0.000 0.513 235 A N -0.321 122.385 122.820 -0.189 0.000 2.308 235 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 235 A C -0.045 177.285 177.584 -0.423 0.000 1.216 235 A CA 0.012 51.861 52.037 -0.314 0.000 0.864 235 A CB -0.246 18.518 19.000 -0.393 0.000 0.902 235 A HN 0.240 nan 8.150 nan 0.000 0.499 236 H N 0.472 119.543 119.070 0.002 0.000 2.547 236 H HA 0.565 5.121 4.556 -0.000 0.000 0.342 236 H C -0.182 175.144 175.328 -0.004 0.000 1.048 236 H CA -0.779 55.268 56.048 -0.001 0.000 1.204 236 H CB 1.111 30.871 29.762 -0.003 0.000 1.493 236 H HN 0.416 nan 8.280 nan 0.000 0.511 237 R N 1.870 122.434 120.500 0.108 0.000 2.750 237 R HA 0.415 4.755 4.340 -0.000 0.000 0.281 237 R C -1.216 175.108 176.300 0.041 0.000 0.972 237 R CA -1.075 55.058 56.100 0.056 0.000 0.912 237 R CB 1.484 31.802 30.300 0.031 0.000 1.187 237 R HN 0.387 nan 8.270 nan 0.000 0.464 238 D N 0.999 121.411 120.400 0.021 0.000 2.362 238 D HA 0.198 4.838 4.640 -0.000 0.000 0.238 238 D C 0.507 176.806 176.300 -0.001 0.000 1.212 238 D CA 0.485 54.486 54.000 0.001 0.000 0.902 238 D CB 0.652 41.447 40.800 -0.008 0.000 1.180 238 D HN 0.671 nan 8.370 nan 0.000 0.445 239 G N -0.383 108.408 108.800 -0.014 0.000 2.477 239 G HA2 0.176 4.135 3.960 -0.000 0.000 0.304 239 G HA3 0.176 4.135 3.960 -0.000 0.000 0.304 239 G C 0.740 175.634 174.900 -0.009 0.000 1.175 239 G CA -0.539 44.554 45.100 -0.011 0.000 0.907 239 G HN 0.486 nan 8.290 nan 0.000 0.509 240 D N -0.045 120.353 120.400 -0.003 0.000 2.178 240 D HA -0.088 4.552 4.640 -0.000 0.000 0.201 240 D C 0.633 176.933 176.300 0.000 0.000 0.980 240 D CA 0.926 54.927 54.000 0.001 0.000 0.842 240 D CB 0.193 40.996 40.800 0.005 0.000 0.948 240 D HN 0.500 nan 8.370 nan 0.000 0.472 241 E N 0.910 121.108 120.200 -0.004 0.000 2.280 241 E HA 0.169 4.519 4.350 -0.000 0.000 0.264 241 E C 0.314 176.903 176.600 -0.018 0.000 1.064 241 E CA -0.704 55.694 56.400 -0.003 0.000 0.900 241 E CB 1.143 30.842 29.700 -0.001 0.000 1.123 241 E HN 0.254 nan 8.360 nan 0.000 0.418 242 E N 2.002 122.196 120.200 -0.011 0.000 2.428 242 E HA 0.001 4.351 4.350 -0.000 0.000 0.257 242 E C -0.018 176.501 176.600 -0.135 0.000 1.197 242 E CA -0.278 56.096 56.400 -0.043 0.000 0.974 242 E CB 0.346 30.064 29.700 0.030 0.000 0.976 242 E HN 0.429 nan 8.360 nan 0.000 0.463 243 M N 0.130 119.575 119.600 -0.260 0.000 2.198 243 M HA 0.298 4.778 4.480 -0.000 0.000 0.315 243 M C -0.322 175.678 176.300 -0.499 0.000 1.134 243 M CA -0.324 54.775 55.300 -0.336 0.000 1.171 243 M CB 0.298 32.701 32.600 -0.329 0.000 1.413 243 M HN 0.420 nan 8.290 nan 0.000 0.467 244 I N 2.071 122.453 120.570 -0.314 0.000 2.471 244 I HA 0.012 4.182 4.170 -0.000 0.000 0.286 244 I C -0.705 175.258 176.117 -0.257 0.000 1.079 244 I CA -0.101 61.068 61.300 -0.219 0.000 1.398 244 I CB 0.155 38.100 38.000 -0.090 0.000 1.403 244 I HN 0.586 nan 8.210 nan 0.000 0.530 245 Y N 5.363 125.678 120.300 0.025 0.000 2.851 245 Y HA 0.289 4.839 4.550 -0.000 0.000 0.369 245 Y C 0.739 176.677 175.900 0.063 0.000 1.226 245 Y CA 0.076 58.197 58.100 0.035 0.000 1.949 245 Y CB -0.118 38.357 38.460 0.025 0.000 2.059 245 Y HN 0.519 nan 8.280 nan 0.000 0.420 246 S N -0.109 115.671 115.700 0.133 0.000 2.608 246 S HA 0.151 4.621 4.470 -0.000 0.000 0.285 246 S C 0.130 174.791 174.600 0.101 0.000 1.108 246 S CA -0.775 57.517 58.200 0.153 0.000 0.858 246 S CB 0.707 64.061 63.200 0.256 0.000 1.077 246 S HN 0.469 nan 8.310 nan 0.000 0.450 247 N N 1.620 120.382 118.700 0.104 0.000 2.333 247 N HA 0.085 4.825 4.740 -0.000 0.000 0.183 247 N C 1.498 177.148 175.510 0.233 0.000 1.030 247 N CA 1.127 54.249 53.050 0.121 0.000 0.867 247 N CB -0.401 38.140 38.487 0.090 0.000 1.027 247 N HN 0.636 nan 8.380 nan 0.000 0.435 248 Y N -0.547 119.735 120.300 -0.030 0.000 2.293 248 Y HA 0.053 4.603 4.550 -0.000 0.000 0.291 248 Y C 0.593 176.421 175.900 -0.121 0.000 1.137 248 Y CA 1.373 59.371 58.100 -0.170 0.000 1.202 248 Y CB -0.078 38.058 38.460 -0.540 0.000 0.990 248 Y HN 0.079 nan 8.280 nan 0.000 0.537 249 F N -0.070 119.972 119.950 0.154 0.000 2.639 249 F HA 0.147 4.674 4.527 -0.000 0.000 0.300 249 F C 0.522 176.299 175.800 -0.039 0.000 1.109 249 F CA -0.608 57.414 58.000 0.037 0.000 1.335 249 F CB -0.288 38.754 39.000 0.071 0.000 1.014 249 F HN -0.112 nan 8.300 nan 0.000 0.537 250 D N 1.581 122.019 120.400 0.063 0.000 2.383 250 D HA 0.059 4.699 4.640 -0.000 0.000 0.245 250 D C 1.377 177.575 176.300 -0.170 0.000 1.263 250 D CA 0.221 54.183 54.000 -0.063 0.000 0.936 250 D CB 0.535 41.275 40.800 -0.100 0.000 1.053 250 D HN 0.258 nan 8.370 nan 0.000 0.507 251 L N 2.948 124.100 121.223 -0.119 0.000 2.275 251 L HA -0.056 4.284 4.340 -0.000 0.000 0.215 251 L C 2.458 179.192 176.870 -0.227 0.000 1.119 251 L CA 0.823 55.569 54.840 -0.158 0.000 0.790 251 L CB -0.161 41.822 42.059 -0.126 0.000 0.919 251 L HN 0.437 nan 8.230 nan 0.000 0.443 252 G N -0.003 108.670 108.800 -0.213 0.000 2.446 252 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 252 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 252 G C 1.610 176.358 174.900 -0.253 0.000 1.168 252 G CA 0.645 45.606 45.100 -0.231 0.000 0.771 252 G HN 0.239 nan 8.290 nan 0.000 0.551 253 M N -0.071 119.358 119.600 -0.285 0.000 2.388 253 M HA 0.062 4.542 4.480 -0.000 0.000 0.265 253 M C 2.519 178.625 176.300 -0.323 0.000 1.088 253 M CA 0.365 55.467 55.300 -0.330 0.000 1.134 253 M CB 0.247 32.584 32.600 -0.438 0.000 1.384 253 M HN 0.111 nan 8.290 nan 0.000 0.447 254 V N 0.269 119.991 119.914 -0.320 0.000 2.453 254 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 254 V C 2.227 178.392 176.094 0.118 0.000 1.048 254 V CA 1.447 63.736 62.300 -0.018 0.000 1.049 254 V CB -0.467 31.343 31.823 -0.022 0.000 0.672 254 V HN 0.497 nan 8.190 nan 0.000 0.457 255 M N -0.190 119.309 119.600 -0.169 0.000 2.229 255 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 255 M C 1.615 177.762 176.300 -0.255 0.000 1.063 255 M CA 1.447 56.488 55.300 -0.432 0.000 1.114 255 M CB -0.442 31.546 32.600 -1.020 0.000 1.387 255 M HN 0.298 nan 8.290 nan 0.000 0.420 256 D N -0.905 119.430 120.400 -0.109 0.000 2.347 256 D HA -0.112 4.528 4.640 -0.000 0.000 0.215 256 D C 1.462 177.876 176.300 0.190 0.000 0.976 256 D CA 0.861 54.880 54.000 0.032 0.000 0.884 256 D CB -0.103 40.690 40.800 -0.012 0.000 0.915 256 D HN 0.369 nan 8.370 nan 0.000 0.526 257 Y N -1.101 119.266 120.300 0.112 0.000 2.397 257 Y HA 0.005 4.555 4.550 -0.000 0.000 0.292 257 Y C 1.204 177.165 175.900 0.103 0.000 1.115 257 Y CA 0.711 58.881 58.100 0.117 0.000 1.208 257 Y CB -0.143 38.391 38.460 0.123 0.000 1.046 257 Y HN -0.123 nan 8.280 nan 0.000 0.552 258 W N 0.650 121.961 121.300 0.019 0.000 2.942 258 W HA 0.345 5.005 4.660 -0.000 0.000 0.263 258 W C 1.568 178.193 176.519 0.177 0.000 1.296 258 W CA 0.627 57.986 57.345 0.022 0.000 1.504 258 W CB -0.510 29.041 29.460 0.150 0.000 1.096 258 W HN 0.041 nan 8.180 nan 0.000 0.639 259 G N 0.862 109.952 108.800 0.482 0.000 2.563 259 G HA2 0.157 4.117 3.960 -0.000 0.000 0.283 259 G HA3 0.157 4.117 3.960 -0.000 0.000 0.283 259 G C -1.341 173.708 174.900 0.247 0.000 1.309 259 G CA -0.700 44.694 45.100 0.490 0.000 1.022 259 G HN -0.209 nan 8.290 nan 0.000 0.501 260 P HA -0.057 nan 4.420 nan 0.000 0.218 260 P C 1.574 178.939 177.300 0.110 0.000 1.146 260 P CA 2.076 65.251 63.100 0.125 0.000 0.813 260 P CB -0.002 31.764 31.700 0.111 0.000 0.778 261 E N 0.594 120.876 120.200 0.137 0.000 2.152 261 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 261 E C 1.255 177.922 176.600 0.112 0.000 0.983 261 E CA 0.701 57.173 56.400 0.119 0.000 0.818 261 E CB -0.896 28.892 29.700 0.146 0.000 0.758 261 E HN 0.099 nan 8.360 nan 0.000 0.467 262 R N -0.919 119.659 120.500 0.130 0.000 3.641 262 R HA -0.127 4.213 4.340 -0.000 0.000 0.286 262 R C 0.491 176.976 176.300 0.308 0.000 1.153 262 R CA 0.780 56.983 56.100 0.173 0.000 0.775 262 R CB -2.936 27.476 30.300 0.187 0.000 1.215 262 R HN 0.565 nan 8.270 nan 0.000 0.474 263 L N 1.812 123.194 121.223 0.265 0.000 2.559 263 L HA 0.092 4.432 4.340 -0.000 0.000 0.274 263 L C 0.466 177.549 176.870 0.354 0.000 1.205 263 L CA 0.512 55.498 54.840 0.243 0.000 0.907 263 L CB 0.391 42.539 42.059 0.148 0.000 1.153 263 L HN 0.064 nan 8.230 nan 0.000 0.490 264 N N 4.556 123.415 118.700 0.265 0.000 2.400 264 N HA -0.023 4.717 4.740 -0.000 0.000 0.267 264 N C 0.657 176.196 175.510 0.049 0.000 1.208 264 N CA 0.301 53.474 53.050 0.204 0.000 0.951 264 N CB 0.016 38.621 38.487 0.197 0.000 1.227 264 N HN 0.729 nan 8.380 nan 0.000 0.488 265 H N 2.700 121.599 119.070 -0.285 0.000 2.481 265 H HA 0.051 4.607 4.556 -0.000 0.000 0.291 265 H C -0.344 174.856 175.328 -0.213 0.000 1.009 265 H CA 0.416 56.322 56.048 -0.237 0.000 1.282 265 H CB 0.627 30.274 29.762 -0.191 0.000 1.457 265 H HN 0.746 nan 8.280 nan 0.000 0.525 266 H N -0.939 117.703 119.070 -0.714 0.000 3.037 266 H HA 0.150 4.706 4.556 -0.000 0.000 0.336 266 H C -1.326 173.727 175.328 -0.458 0.000 1.323 266 H CA -0.574 55.153 56.048 -0.535 0.000 1.159 266 H CB 0.761 30.209 29.762 -0.524 0.000 1.882 266 H HN -0.052 nan 8.280 nan 0.000 0.535 267 T N 2.439 116.870 114.554 -0.205 0.000 2.775 267 T HA 0.023 4.373 4.350 -0.000 0.000 0.281 267 T C 0.456 175.125 174.700 -0.052 0.000 0.908 267 T CA -0.051 61.951 62.100 -0.164 0.000 1.123 267 T CB -0.005 68.825 68.868 -0.064 0.000 0.879 267 T HN 0.457 nan 8.240 nan 0.000 0.547 268 E N 2.991 123.098 120.200 -0.155 0.000 2.529 268 E HA 0.205 4.555 4.350 -0.000 0.000 0.259 268 E C 0.209 176.847 176.600 0.063 0.000 0.966 268 E CA -0.178 56.249 56.400 0.046 0.000 0.937 268 E CB 0.237 29.933 29.700 -0.007 0.000 0.923 268 E HN 0.681 nan 8.360 nan 0.000 0.468 269 A N 4.906 127.813 122.820 0.145 0.000 2.618 269 A HA 0.043 4.363 4.320 -0.000 0.000 0.293 269 A C 1.241 178.786 177.584 -0.065 0.000 1.413 269 A CA 0.466 52.532 52.037 0.049 0.000 1.074 269 A CB -0.570 18.483 19.000 0.089 0.000 1.087 269 A HN 0.814 nan 8.150 nan 0.000 0.553 270 T N 2.078 116.528 114.554 -0.174 0.000 2.607 270 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 270 T C 2.024 176.278 174.700 -0.743 0.000 1.049 270 T CA 2.450 64.299 62.100 -0.418 0.000 1.162 270 T CB -0.319 68.314 68.868 -0.392 0.000 0.863 270 T HN 0.670 nan 8.240 nan 0.000 0.424 271 T N 1.786 116.043 114.554 -0.495 0.000 2.777 271 T HA 0.043 4.393 4.350 -0.000 0.000 0.266 271 T C 2.418 177.022 174.700 -0.160 0.000 1.040 271 T CA 1.092 62.966 62.100 -0.377 0.000 1.141 271 T CB -0.584 68.194 68.868 -0.150 0.000 0.868 271 T HN 0.440 nan 8.240 nan 0.000 0.444 272 A N 1.066 123.836 122.820 -0.083 0.000 1.933 272 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 272 A C 2.260 179.882 177.584 0.064 0.000 1.175 272 A CA 1.263 53.310 52.037 0.017 0.000 0.628 272 A CB -0.819 18.210 19.000 0.047 0.000 0.814 272 A HN 0.491 nan 8.150 nan 0.000 0.444 273 L N -1.495 119.748 121.223 0.032 0.000 2.046 273 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 273 L C 2.286 179.306 176.870 0.250 0.000 1.077 273 L CA 1.616 56.545 54.840 0.148 0.000 0.747 273 L CB -0.327 41.809 42.059 0.127 0.000 0.896 273 L HN 0.342 nan 8.230 nan 0.000 0.432 274 F N 0.359 120.306 119.950 -0.004 0.000 2.095 274 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 274 F C 2.544 178.328 175.800 -0.027 0.000 1.104 274 F CA 0.949 58.906 58.000 -0.071 0.000 1.232 274 F CB -1.909 37.038 39.000 -0.087 0.000 0.987 274 F HN 0.174 nan 8.300 nan 0.000 0.475 275 G N -0.533 108.389 108.800 0.203 0.000 2.421 275 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.216 275 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.216 275 G C 1.917 176.895 174.900 0.131 0.000 1.171 275 G CA 1.107 46.282 45.100 0.125 0.000 0.775 275 G HN 0.466 nan 8.290 nan 0.000 0.543 276 A N 0.524 123.446 122.820 0.170 0.000 1.933 276 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 276 A C 2.315 180.076 177.584 0.295 0.000 1.175 276 A CA 1.822 54.003 52.037 0.240 0.000 0.628 276 A CB -0.440 18.697 19.000 0.229 0.000 0.814 276 A HN 0.371 nan 8.150 nan 0.000 0.444 277 R N -0.421 120.216 120.500 0.229 0.000 2.073 277 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 277 R C 1.899 178.223 176.300 0.039 0.000 1.134 277 R CA 1.588 57.778 56.100 0.151 0.000 0.952 277 R CB -0.239 30.123 30.300 0.103 0.000 0.850 277 R HN 0.471 nan 8.270 nan 0.000 0.433 278 E N 0.293 120.511 120.200 0.029 0.000 2.110 278 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 278 E C 2.131 178.721 176.600 -0.016 0.000 0.988 278 E CA 1.136 57.530 56.400 -0.010 0.000 0.804 278 E CB -0.324 29.370 29.700 -0.011 0.000 0.745 278 E HN 0.443 nan 8.360 nan 0.000 0.458 279 C N 0.806 120.113 119.300 0.012 0.000 2.413 279 C HA -0.168 4.292 4.460 -0.000 0.000 0.278 279 C C 2.915 177.850 174.990 -0.092 0.000 1.224 279 C CA 1.224 60.242 59.018 -0.001 0.000 1.732 279 C CB -1.124 26.659 27.740 0.070 0.000 2.050 279 C HN 0.516 nan 8.230 nan 0.000 0.463 280 A N -0.092 122.595 122.820 -0.221 0.000 1.902 280 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 280 A C 2.234 179.679 177.584 -0.232 0.000 1.181 280 A CA 1.833 53.611 52.037 -0.431 0.000 0.623 280 A CB -0.662 17.782 19.000 -0.927 0.000 0.818 280 A HN 0.658 nan 8.150 nan 0.000 0.443 281 R N -0.423 119.991 120.500 -0.143 0.000 2.083 281 R HA -0.092 4.248 4.340 -0.000 0.000 0.237 281 R C 1.952 178.217 176.300 -0.059 0.000 1.137 281 R CA 1.693 57.744 56.100 -0.082 0.000 0.951 281 R CB -0.385 29.885 30.300 -0.050 0.000 0.851 281 R HN 0.552 nan 8.270 nan 0.000 0.434 282 L N 0.008 121.202 121.223 -0.050 0.000 2.156 282 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 282 L C 2.293 179.154 176.870 -0.015 0.000 1.095 282 L CA 0.889 55.715 54.840 -0.023 0.000 0.770 282 L CB -0.234 41.819 42.059 -0.010 0.000 0.914 282 L HN 0.260 nan 8.230 nan 0.000 0.439 283 I N -0.312 120.235 120.570 -0.039 0.000 2.286 283 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 283 I C 2.285 178.389 176.117 -0.021 0.000 1.104 283 I CA 1.182 62.467 61.300 -0.026 0.000 1.397 283 I CB -0.061 37.899 38.000 -0.066 0.000 1.072 283 I HN 0.187 nan 8.210 nan 0.000 0.417 284 L N -0.201 120.991 121.223 -0.051 0.000 2.217 284 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 284 L C 2.514 179.385 176.870 0.001 0.000 1.107 284 L CA 0.987 55.809 54.840 -0.031 0.000 0.783 284 L CB -0.538 41.487 42.059 -0.057 0.000 0.919 284 L HN 0.317 nan 8.230 nan 0.000 0.442 285 Q N 0.013 119.811 119.800 -0.004 0.000 2.020 285 Q HA -0.268 4.072 4.340 -0.000 0.000 0.202 285 Q C 2.170 178.181 176.000 0.018 0.000 0.982 285 Q CA 1.860 57.666 55.803 0.004 0.000 0.838 285 Q CB -0.048 28.687 28.738 -0.006 0.000 0.899 285 Q HN 0.461 nan 8.270 nan 0.000 0.423 286 E N -0.369 119.848 120.200 0.029 0.000 2.106 286 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 286 E C 0.028 176.720 176.600 0.154 0.000 0.984 286 E CA 0.725 57.152 56.400 0.044 0.000 0.806 286 E CB 0.154 29.889 29.700 0.058 0.000 0.750 286 E HN 0.349 nan 8.360 nan 0.000 0.458 287 G N 0.368 109.258 108.800 0.151 0.000 3.055 287 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 287 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 287 G C 0.004 174.986 174.900 0.137 0.000 1.087 287 G CA -0.078 45.138 45.100 0.192 0.000 0.779 287 G HN 0.225 nan 8.290 nan 0.000 0.599 288 L N 1.265 122.508 121.223 0.035 0.000 2.017 288 L HA 0.046 4.385 4.340 -0.000 0.000 0.208 288 L C 2.408 179.276 176.870 -0.004 0.000 1.073 288 L CA 2.978 57.818 54.840 0.001 0.000 0.745 288 L CB -0.420 41.611 42.059 -0.048 0.000 0.894 288 L HN 0.696 nan 8.230 nan 0.000 0.432 289 D N -1.271 119.083 120.400 -0.078 0.000 2.123 289 D HA -0.243 4.397 4.640 -0.000 0.000 0.196 289 D C 2.148 178.401 176.300 -0.079 0.000 0.992 289 D CA 1.746 55.669 54.000 -0.128 0.000 0.833 289 D CB -0.368 40.282 40.800 -0.250 0.000 0.954 289 D HN 0.393 nan 8.370 nan 0.000 0.455 290 Y N 1.412 121.724 120.300 0.020 0.000 2.128 290 Y HA -0.110 4.440 4.550 -0.000 0.000 0.284 290 Y C 2.752 178.684 175.900 0.053 0.000 1.154 290 Y CA 1.262 59.379 58.100 0.028 0.000 1.149 290 Y CB -1.050 37.422 38.460 0.020 0.000 0.976 290 Y HN -0.003 nan 8.280 nan 0.000 0.505 291 G N -0.001 108.937 108.800 0.229 0.000 2.446 291 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.217 291 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.217 291 G C 1.765 176.841 174.900 0.295 0.000 1.168 291 G CA 1.358 46.591 45.100 0.221 0.000 0.771 291 G HN 0.410 nan 8.290 nan 0.000 0.551 292 I N 1.373 122.051 120.570 0.181 0.000 2.226 292 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 292 I C 3.287 179.496 176.117 0.153 0.000 1.100 292 I CA 0.995 62.380 61.300 0.142 0.000 1.374 292 I CB -0.180 37.843 38.000 0.040 0.000 1.057 292 I HN 0.249 nan 8.210 nan 0.000 0.413 293 A N 0.632 123.518 122.820 0.111 0.000 1.902 293 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 293 A C 2.423 180.058 177.584 0.085 0.000 1.181 293 A CA 1.789 53.878 52.037 0.086 0.000 0.623 293 A CB -0.654 18.391 19.000 0.075 0.000 0.818 293 A HN 0.366 nan 8.150 nan 0.000 0.443 294 R N -1.287 119.279 120.500 0.110 0.000 2.096 294 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 294 R C 2.106 178.438 176.300 0.054 0.000 1.127 294 R CA 1.665 57.800 56.100 0.059 0.000 0.968 294 R CB -0.450 29.900 30.300 0.085 0.000 0.861 294 R HN 0.704 nan 8.270 nan 0.000 0.440 295 H N 0.080 119.211 119.070 0.102 0.000 2.353 295 H HA -0.121 4.435 4.556 -0.000 0.000 0.300 295 H C 1.979 177.350 175.328 0.073 0.000 1.090 295 H CA 1.644 57.756 56.048 0.107 0.000 1.327 295 H CB 0.046 29.855 29.762 0.080 0.000 1.383 295 H HN 0.226 nan 8.280 nan 0.000 0.508 296 K N 0.797 121.292 120.400 0.159 0.000 2.097 296 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 296 K C 2.272 178.893 176.600 0.036 0.000 1.050 296 K CA 0.723 57.060 56.287 0.084 0.000 0.938 296 K CB -0.121 32.417 32.500 0.064 0.000 0.718 296 K HN 0.041 nan 8.250 nan 0.000 0.442 297 L N 1.233 122.441 121.223 -0.024 0.000 2.012 297 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 297 L C 2.118 178.923 176.870 -0.109 0.000 1.073 297 L CA 1.935 56.715 54.840 -0.101 0.000 0.748 297 L CB -0.507 41.375 42.059 -0.295 0.000 0.891 297 L HN 0.316 nan 8.230 nan 0.000 0.431 298 H N -1.306 117.835 119.070 0.118 0.000 2.497 298 H HA 0.191 4.747 4.556 -0.000 0.000 0.282 298 H C 2.067 177.412 175.328 0.029 0.000 1.003 298 H CA 0.816 56.927 56.048 0.105 0.000 1.307 298 H CB -0.403 29.414 29.762 0.092 0.000 1.437 298 H HN 0.485 nan 8.280 nan 0.000 0.544 299 G N 1.208 110.080 108.800 0.119 0.000 2.421 299 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 299 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 299 G C 1.319 176.203 174.900 -0.027 0.000 1.171 299 G CA 0.731 45.868 45.100 0.063 0.000 0.775 299 G HN 0.295 nan 8.290 nan 0.000 0.543 300 D N 0.836 121.179 120.400 -0.095 0.000 2.183 300 D HA 0.041 4.680 4.640 -0.000 0.000 0.203 300 D C 2.784 178.800 176.300 -0.473 0.000 0.969 300 D CA 0.998 54.847 54.000 -0.253 0.000 0.842 300 D CB -0.254 40.384 40.800 -0.271 0.000 0.957 300 D HN 0.299 nan 8.370 nan 0.000 0.484 301 A N 0.774 123.308 122.820 -0.476 0.000 1.930 301 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 301 A C 2.155 179.615 177.584 -0.206 0.000 1.175 301 A CA 0.768 52.528 52.037 -0.461 0.000 0.627 301 A CB -0.601 18.124 19.000 -0.458 0.000 0.815 301 A HN 0.224 nan 8.150 nan 0.000 0.443 302 L N 0.103 121.267 121.223 -0.099 0.000 2.017 302 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 302 L C 2.395 179.231 176.870 -0.056 0.000 1.073 302 L CA 1.961 56.773 54.840 -0.045 0.000 0.745 302 L CB -0.467 41.590 42.059 -0.003 0.000 0.894 302 L HN 0.178 nan 8.230 nan 0.000 0.432 303 V N -0.246 119.622 119.914 -0.077 0.000 2.255 303 V HA -0.349 3.771 4.120 -0.000 0.000 0.247 303 V C 2.561 178.616 176.094 -0.065 0.000 1.051 303 V CA 2.320 64.585 62.300 -0.058 0.000 1.018 303 V CB -0.863 30.918 31.823 -0.071 0.000 0.641 303 V HN 0.448 nan 8.190 nan 0.000 0.445 304 K N 0.345 120.670 120.400 -0.124 0.000 2.097 304 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 304 K C 2.276 178.850 176.600 -0.043 0.000 1.049 304 K CA 1.421 57.650 56.287 -0.097 0.000 0.933 304 K CB -0.665 31.739 32.500 -0.159 0.000 0.717 304 K HN 0.575 nan 8.250 nan 0.000 0.442 305 G N 1.713 110.485 108.800 -0.047 0.000 2.421 305 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 305 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 305 G C 1.431 176.336 174.900 0.008 0.000 1.171 305 G CA 0.485 45.577 45.100 -0.013 0.000 0.775 305 G HN 0.044 nan 8.290 nan 0.000 0.543 306 I N 0.972 121.546 120.570 0.007 0.000 2.179 306 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 306 I C 2.866 179.016 176.117 0.055 0.000 1.088 306 I CA 1.175 62.496 61.300 0.036 0.000 1.357 306 I CB -1.359 36.665 38.000 0.040 0.000 1.051 306 I HN 0.335 nan 8.210 nan 0.000 0.409 307 Q N 0.444 120.265 119.800 0.036 0.000 2.096 307 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 307 Q C 2.322 178.352 176.000 0.049 0.000 0.982 307 Q CA 2.067 57.894 55.803 0.040 0.000 0.850 307 Q CB -0.270 28.478 28.738 0.017 0.000 0.901 307 Q HN 0.564 nan 8.270 nan 0.000 0.422 308 A N 0.415 123.260 122.820 0.041 0.000 2.066 308 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 308 A C 1.899 179.520 177.584 0.062 0.000 1.157 308 A CA 0.756 52.821 52.037 0.047 0.000 0.670 308 A CB -0.378 18.649 19.000 0.045 0.000 0.804 308 A HN 0.353 nan 8.150 nan 0.000 0.453 309 M N -1.258 118.388 119.600 0.078 0.000 2.476 309 M HA 0.078 4.558 4.480 -0.000 0.000 0.262 309 M C 1.224 177.619 176.300 0.158 0.000 1.079 309 M CA 1.206 56.573 55.300 0.111 0.000 1.104 309 M CB 0.084 32.757 32.600 0.122 0.000 1.409 309 M HN 0.632 nan 8.290 nan 0.000 0.467 310 G N 1.031 109.916 108.800 0.142 0.000 2.131 310 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.201 310 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.201 310 G C -0.340 174.699 174.900 0.232 0.000 1.000 310 G CA -0.311 44.887 45.100 0.163 0.000 0.680 310 G HN 0.409 nan 8.290 nan 0.000 0.514 311 L N 0.611 121.947 121.223 0.189 0.000 2.325 311 L HA 0.583 4.923 4.340 -0.000 0.000 0.278 311 L C 0.660 177.598 176.870 0.113 0.000 1.023 311 L CA -0.979 53.958 54.840 0.161 0.000 0.811 311 L CB 1.325 43.474 42.059 0.150 0.000 1.249 311 L HN 0.163 nan 8.230 nan 0.000 0.431 312 E N 0.884 121.142 120.200 0.096 0.000 2.373 312 E HA 0.293 4.642 4.350 -0.000 0.000 0.263 312 E C -0.385 176.273 176.600 0.096 0.000 1.073 312 E CA -0.346 56.104 56.400 0.082 0.000 0.894 312 E CB 1.101 30.843 29.700 0.070 0.000 1.008 312 E HN 0.618 nan 8.360 nan 0.000 0.420 313 T N -0.820 113.791 114.554 0.095 0.000 2.940 313 T HA 0.483 4.833 4.350 -0.000 0.000 0.288 313 T C -0.682 174.116 174.700 0.163 0.000 1.033 313 T CA -0.831 61.343 62.100 0.123 0.000 1.033 313 T CB 0.789 69.709 68.868 0.086 0.000 1.079 313 T HN 0.329 nan 8.240 nan 0.000 0.496 314 F N 1.320 121.297 119.950 0.044 0.000 2.421 314 F HA 0.611 5.138 4.527 -0.000 0.000 0.337 314 F C 0.803 176.639 175.800 0.060 0.000 1.105 314 F CA 0.914 58.944 58.000 0.051 0.000 1.049 314 F CB 0.407 39.443 39.000 0.060 0.000 1.139 314 F HN 1.336 nan 8.300 nan 0.000 0.479 315 G N 4.514 112.819 108.800 -0.826 0.000 2.660 315 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.215 315 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.215 315 G C -1.413 173.329 174.900 -0.263 0.000 1.345 315 G CA -0.387 44.302 45.100 -0.684 0.000 0.877 315 G HN 0.889 nan 8.290 nan 0.000 0.549 316 D N 0.247 120.547 120.400 -0.167 0.000 2.347 316 D HA 0.528 5.168 4.640 -0.000 0.000 0.235 316 D C 1.782 178.070 176.300 -0.020 0.000 1.149 316 D CA -0.387 53.574 54.000 -0.065 0.000 0.850 316 D CB 0.588 41.374 40.800 -0.022 0.000 1.061 316 D HN 0.435 nan 8.370 nan 0.000 0.487 317 L N 3.218 124.425 121.223 -0.027 0.000 2.376 317 L HA -0.028 4.312 4.340 -0.000 0.000 0.219 317 L C 2.084 178.926 176.870 -0.045 0.000 1.133 317 L CA 0.605 55.431 54.840 -0.022 0.000 0.816 317 L CB -0.150 41.895 42.059 -0.023 0.000 0.933 317 L HN 0.359 nan 8.230 nan 0.000 0.449 318 K N -0.419 119.938 120.400 -0.071 0.000 2.148 318 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 318 K C 0.690 177.068 176.600 -0.370 0.000 1.050 318 K CA 1.174 57.340 56.287 -0.201 0.000 0.942 318 K CB -0.060 32.310 32.500 -0.217 0.000 0.724 318 K HN 0.427 nan 8.250 nan 0.000 0.446 319 H N -0.392 118.654 119.070 -0.040 0.000 2.475 319 H HA 0.191 4.747 4.556 -0.000 0.000 0.276 319 H C -0.677 174.643 175.328 -0.014 0.000 1.126 319 H CA -0.372 55.653 56.048 -0.038 0.000 1.023 319 H CB 0.469 30.187 29.762 -0.074 0.000 1.669 319 H HN -0.081 nan 8.280 nan 0.000 0.573 320 K N 1.284 121.720 120.400 0.060 0.000 2.326 320 K HA 0.130 4.450 4.320 -0.000 0.000 0.275 320 K C 0.014 176.657 176.600 0.071 0.000 1.018 320 K CA -0.361 55.965 56.287 0.066 0.000 0.962 320 K CB 0.645 33.171 32.500 0.043 0.000 0.953 320 K HN 0.205 nan 8.250 nan 0.000 0.475 321 M N 3.851 123.504 119.600 0.089 0.000 2.248 321 M HA -0.078 4.401 4.480 -0.000 0.000 0.345 321 M C 1.165 177.509 176.300 0.075 0.000 1.243 321 M CA -0.032 55.318 55.300 0.082 0.000 1.090 321 M CB 0.475 33.128 32.600 0.089 0.000 1.683 321 M HN 0.652 nan 8.290 nan 0.000 0.450 322 N N 2.084 120.827 118.700 0.071 0.000 2.205 322 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 322 N C 0.757 176.345 175.510 0.129 0.000 1.015 322 N CA 1.320 54.425 53.050 0.092 0.000 0.862 322 N CB -0.271 38.281 38.487 0.108 0.000 0.986 322 N HN 0.644 nan 8.380 nan 0.000 0.429 323 N N -0.158 118.618 118.700 0.126 0.000 2.230 323 N HA 0.040 4.780 4.740 -0.000 0.000 0.202 323 N C -0.349 175.233 175.510 0.121 0.000 1.119 323 N CA 0.019 53.169 53.050 0.166 0.000 0.851 323 N CB 0.568 39.160 38.487 0.174 0.000 0.990 323 N HN -0.103 nan 8.380 nan 0.000 0.497 324 V N 0.156 120.132 119.914 0.103 0.000 2.971 324 V HA 0.542 4.662 4.120 -0.000 0.000 0.309 324 V C -0.824 175.331 176.094 0.101 0.000 1.130 324 V CA -0.940 61.420 62.300 0.100 0.000 0.964 324 V CB 2.922 34.809 31.823 0.106 0.000 1.029 324 V HN 0.048 nan 8.190 nan 0.000 0.427 325 L N 1.955 123.241 121.223 0.104 0.000 2.464 325 L HA 0.801 5.141 4.340 -0.000 0.000 0.266 325 L C 0.136 177.091 176.870 0.141 0.000 0.965 325 L CA -0.317 54.591 54.840 0.113 0.000 0.833 325 L CB 2.151 44.261 42.059 0.084 0.000 1.296 325 L HN 0.938 nan 8.230 nan 0.000 0.405 326 G N 3.830 112.743 108.800 0.188 0.000 2.327 326 G HA2 0.496 4.456 3.960 -0.000 0.000 0.302 326 G HA3 0.496 4.456 3.960 -0.000 0.000 0.302 326 G C -0.779 174.240 174.900 0.199 0.000 1.113 326 G CA -0.227 44.997 45.100 0.208 0.000 0.921 326 G HN 0.315 nan 8.290 nan 0.000 0.425 327 V N 3.784 123.808 119.914 0.184 0.000 2.370 327 V HA 0.182 4.302 4.120 -0.000 0.000 0.283 327 V C 0.380 176.541 176.094 0.112 0.000 1.023 327 V CA -0.725 61.695 62.300 0.199 0.000 0.857 327 V CB 1.619 33.617 31.823 0.291 0.000 0.985 327 V HN 0.517 nan 8.190 nan 0.000 0.443 328 V N 6.709 126.659 119.914 0.061 0.000 2.479 328 V HA 0.193 4.313 4.120 -0.000 0.000 0.281 328 V C 0.440 176.416 176.094 -0.197 0.000 1.031 328 V CA -0.048 62.212 62.300 -0.066 0.000 1.038 328 V CB 0.709 32.537 31.823 0.008 0.000 0.981 328 V HN 0.620 nan 8.190 nan 0.000 0.478 329 I N 8.069 128.345 120.570 -0.490 0.000 2.517 329 I HA 0.162 4.332 4.170 -0.000 0.000 0.285 329 I C -1.842 174.046 176.117 -0.382 0.000 1.106 329 I CA -1.385 59.465 61.300 -0.750 0.000 1.402 329 I CB 0.522 37.855 38.000 -1.113 0.000 1.399 329 I HN 0.453 nan 8.210 nan 0.000 0.535 330 P HA 0.108 nan 4.420 nan 0.000 0.268 330 P C -0.159 177.055 177.300 -0.143 0.000 1.204 330 P CA -0.051 62.921 63.100 -0.214 0.000 0.768 330 P CB 0.407 31.832 31.700 -0.458 0.000 0.842 331 Q N 1.755 121.519 119.800 -0.060 0.000 2.361 331 Q HA 0.412 4.752 4.340 -0.000 0.000 0.276 331 Q C 1.313 177.312 176.000 -0.003 0.000 1.022 331 Q CA 0.170 55.948 55.803 -0.041 0.000 0.898 331 Q CB -0.779 27.949 28.738 -0.016 0.000 1.246 331 Q HN 0.990 nan 8.270 nan 0.000 0.410 332 G N -1.780 107.012 108.800 -0.014 0.000 2.136 332 G HA2 0.224 4.184 3.960 -0.000 0.000 0.242 332 G HA3 0.224 4.184 3.960 -0.000 0.000 0.242 332 G C 0.249 175.162 174.900 0.022 0.000 0.989 332 G CA 0.267 45.374 45.100 0.012 0.000 0.682 332 G HN 2.364 nan 8.290 nan 0.000 0.522 333 I N -0.572 119.992 120.570 -0.010 0.000 2.534 333 I HA 0.745 4.915 4.170 -0.000 0.000 0.288 333 I C -0.008 176.104 176.117 -0.007 0.000 1.077 333 I CA -0.650 60.657 61.300 0.012 0.000 1.051 333 I CB 1.456 39.461 38.000 0.009 0.000 1.234 333 I HN 0.290 nan 8.210 nan 0.000 0.425 334 N N 3.849 122.569 118.700 0.033 0.000 2.405 334 N HA 0.232 4.972 4.740 -0.000 0.000 0.260 334 N C 1.356 176.930 175.510 0.106 0.000 1.152 334 N CA 0.764 53.829 53.050 0.026 0.000 0.948 334 N CB 1.614 40.122 38.487 0.036 0.000 1.111 334 N HN 0.969 nan 8.380 nan 0.000 0.485 335 G N 2.499 111.318 108.800 0.033 0.000 2.422 335 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.218 335 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.218 335 G C 1.277 176.381 174.900 0.340 0.000 1.146 335 G CA 1.322 46.550 45.100 0.213 0.000 0.769 335 G HN 0.761 nan 8.290 nan 0.000 0.547 336 D N -0.009 120.470 120.400 0.131 0.000 2.178 336 D HA -0.063 4.577 4.640 -0.000 0.000 0.202 336 D C 2.231 178.610 176.300 0.133 0.000 0.974 336 D CA 1.486 55.566 54.000 0.134 0.000 0.841 336 D CB -0.476 40.378 40.800 0.090 0.000 0.953 336 D HN 0.516 nan 8.370 nan 0.000 0.478 337 Q N -0.660 119.215 119.800 0.125 0.000 2.079 337 Q HA 0.007 4.347 4.340 -0.000 0.000 0.200 337 Q C 2.553 178.626 176.000 0.122 0.000 0.974 337 Q CA 1.304 57.175 55.803 0.114 0.000 0.840 337 Q CB -0.155 28.644 28.738 0.102 0.000 0.898 337 Q HN 0.501 nan 8.270 nan 0.000 0.430 338 A N 0.819 123.725 122.820 0.144 0.000 1.930 338 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 338 A C 2.022 179.595 177.584 -0.018 0.000 1.175 338 A CA 1.279 53.349 52.037 0.055 0.000 0.627 338 A CB -0.399 18.603 19.000 0.005 0.000 0.815 338 A HN 0.322 nan 8.150 nan 0.000 0.443 339 R N -0.536 119.989 120.500 0.042 0.000 2.081 339 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 339 R C 2.349 178.675 176.300 0.043 0.000 1.131 339 R CA 1.635 57.749 56.100 0.022 0.000 0.960 339 R CB -0.234 30.128 30.300 0.104 0.000 0.856 339 R HN 0.554 nan 8.270 nan 0.000 0.436 340 K N 0.851 121.294 120.400 0.072 0.000 2.057 340 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 340 K C 1.990 178.635 176.600 0.074 0.000 1.049 340 K CA 1.119 57.449 56.287 0.073 0.000 0.931 340 K CB 0.033 32.581 32.500 0.079 0.000 0.714 340 K HN 0.142 nan 8.250 nan 0.000 0.440 341 L N 0.317 121.592 121.223 0.087 0.000 2.109 341 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 341 L C 2.589 179.557 176.870 0.164 0.000 1.086 341 L CA 0.576 55.486 54.840 0.117 0.000 0.760 341 L CB -0.307 41.839 42.059 0.146 0.000 0.910 341 L HN 0.259 nan 8.230 nan 0.000 0.437 342 M N -0.650 118.999 119.600 0.081 0.000 2.159 342 M HA -0.206 4.274 4.480 -0.000 0.000 0.263 342 M C 2.314 178.680 176.300 0.109 0.000 1.063 342 M CA 1.760 57.093 55.300 0.054 0.000 1.110 342 M CB -0.843 31.692 32.600 -0.107 0.000 1.374 342 M HN 0.248 nan 8.290 nan 0.000 0.411 343 L N 0.136 121.401 121.223 0.071 0.000 2.084 343 L HA -0.060 4.280 4.340 -0.000 0.000 0.202 343 L C 2.142 179.047 176.870 0.060 0.000 1.074 343 L CA 1.747 56.623 54.840 0.061 0.000 0.757 343 L CB -0.426 41.663 42.059 0.049 0.000 0.918 343 L HN 0.222 nan 8.230 nan 0.000 0.444 344 E N -0.773 119.459 120.200 0.052 0.000 2.152 344 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 344 E C 1.038 177.630 176.600 -0.013 0.000 0.983 344 E CA 1.213 57.627 56.400 0.023 0.000 0.818 344 E CB 0.148 29.862 29.700 0.024 0.000 0.758 344 E HN 0.519 nan 8.360 nan 0.000 0.467 345 D N -1.434 118.957 120.400 -0.014 0.000 2.423 345 D HA 0.052 4.692 4.640 -0.000 0.000 0.208 345 D C 0.703 176.789 176.300 -0.357 0.000 1.068 345 D CA 0.422 54.316 54.000 -0.176 0.000 0.860 345 D CB 0.317 40.989 40.800 -0.214 0.000 0.992 345 D HN 0.119 nan 8.370 nan 0.000 0.504 346 F N -0.312 119.606 119.950 -0.052 0.000 2.789 346 F HA 0.285 4.812 4.527 -0.000 0.000 0.320 346 F C 1.666 177.442 175.800 -0.039 0.000 1.079 346 F CA 0.194 58.163 58.000 -0.051 0.000 1.205 346 F CB 0.938 39.900 39.000 -0.063 0.000 1.046 346 F HN -0.001 nan 8.300 nan 0.000 0.586 347 G N 1.861 110.733 108.800 0.121 0.000 2.160 347 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.251 347 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.251 347 G C -0.021 174.919 174.900 0.066 0.000 1.008 347 G CA 0.176 45.317 45.100 0.069 0.000 0.724 347 G HN 0.301 nan 8.290 nan 0.000 0.514 348 I N 0.163 120.778 120.570 0.075 0.000 2.404 348 I HA 0.433 4.603 4.170 -0.000 0.000 0.293 348 I C 0.209 176.329 176.117 0.005 0.000 0.992 348 I CA -0.761 60.554 61.300 0.024 0.000 1.149 348 I CB 1.972 39.962 38.000 -0.016 0.000 1.315 348 I HN 0.156 nan 8.210 nan 0.000 0.446 349 E N 7.550 127.753 120.200 0.004 0.000 2.109 349 E HA 0.457 4.807 4.350 -0.000 0.000 0.278 349 E C -0.902 175.688 176.600 -0.016 0.000 0.954 349 E CA -0.669 55.735 56.400 0.005 0.000 0.779 349 E CB 1.107 30.827 29.700 0.032 0.000 1.093 349 E HN 0.591 nan 8.360 nan 0.000 0.401 350 I N 0.872 121.413 120.570 -0.048 0.000 2.577 350 I HA 0.678 4.848 4.170 -0.000 0.000 0.305 350 I C 0.429 176.551 176.117 0.009 0.000 0.986 350 I CA -0.952 60.315 61.300 -0.056 0.000 1.189 350 I CB 1.665 39.556 38.000 -0.181 0.000 1.355 350 I HN 0.446 nan 8.210 nan 0.000 0.476 351 G N 2.137 110.963 108.800 0.044 0.000 2.356 351 G HA2 0.442 4.402 3.960 -0.000 0.000 0.298 351 G HA3 0.442 4.402 3.960 -0.000 0.000 0.298 351 G C -0.366 174.584 174.900 0.082 0.000 1.145 351 G CA -0.348 44.784 45.100 0.054 0.000 0.850 351 G HN 0.795 nan 8.290 nan 0.000 0.487 352 T N 0.365 114.920 114.554 0.002 0.000 2.816 352 T HA 0.524 4.874 4.350 -0.000 0.000 0.282 352 T C 0.642 175.149 174.700 -0.321 0.000 0.993 352 T CA -0.281 61.783 62.100 -0.060 0.000 0.994 352 T CB 0.547 69.415 68.868 0.001 0.000 1.025 352 T HN 0.406 nan 8.240 nan 0.000 0.529 353 S N 1.167 116.708 115.700 -0.265 0.000 2.593 353 S HA 0.718 5.188 4.470 -0.000 0.000 0.297 353 S C -1.188 173.205 174.600 -0.345 0.000 1.112 353 S CA -0.528 57.481 58.200 -0.318 0.000 1.043 353 S CB 0.599 63.713 63.200 -0.144 0.000 1.054 353 S HN 0.526 nan 8.310 nan 0.000 0.516 354 F N 0.856 120.856 119.950 0.083 0.000 2.507 354 F HA 0.765 5.292 4.527 -0.000 0.000 0.327 354 F C 1.092 176.909 175.800 0.029 0.000 1.068 354 F CA -0.002 57.997 58.000 -0.002 0.000 0.965 354 F CB 0.890 39.863 39.000 -0.045 0.000 1.192 354 F HN 0.903 nan 8.300 nan 0.000 0.476 355 G N 1.830 110.724 108.800 0.158 0.000 2.542 355 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.235 355 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.235 355 G C -2.111 172.761 174.900 -0.046 0.000 1.286 355 G CA -0.425 44.686 45.100 0.018 0.000 0.904 355 G HN 0.548 nan 8.290 nan 0.000 0.577 356 P HA 0.090 nan 4.420 nan 0.000 0.242 356 P C 1.307 178.501 177.300 -0.176 0.000 1.198 356 P CA 0.922 63.889 63.100 -0.221 0.000 0.756 356 P CB -0.114 31.356 31.700 -0.384 0.000 0.911 357 L N -2.281 118.874 121.223 -0.113 0.000 2.766 357 L HA 0.210 4.550 4.340 -0.000 0.000 0.242 357 L C 0.982 177.786 176.870 -0.111 0.000 1.136 357 L CA -0.482 54.277 54.840 -0.136 0.000 0.933 357 L CB -0.419 41.554 42.059 -0.143 0.000 1.241 357 L HN 0.001 nan 8.230 nan 0.000 0.522 358 H N 0.533 119.523 119.070 -0.134 0.000 2.848 358 H HA 0.270 4.826 4.556 -0.000 0.000 0.341 358 H C 1.273 176.509 175.328 -0.153 0.000 1.060 358 H CA 0.778 56.750 56.048 -0.127 0.000 1.444 358 H CB 0.894 30.631 29.762 -0.041 0.000 1.446 358 H HN 0.252 nan 8.280 nan 0.000 0.583 359 G N 4.431 112.799 108.800 -0.719 0.000 2.196 359 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.268 359 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.268 359 G C 1.148 175.781 174.900 -0.444 0.000 0.975 359 G CA 0.773 45.528 45.100 -0.576 0.000 0.648 359 G HN 0.607 nan 8.290 nan 0.000 0.538 360 K N -1.176 118.980 120.400 -0.407 0.000 2.367 360 K HA 0.411 4.731 4.320 -0.000 0.000 0.198 360 K C 0.530 176.867 176.600 -0.439 0.000 1.132 360 K CA 0.768 56.839 56.287 -0.360 0.000 0.941 360 K CB 1.229 33.581 32.500 -0.247 0.000 1.052 360 K HN 0.367 nan 8.250 nan 0.000 0.507 361 V N 1.688 121.330 119.914 -0.454 0.000 2.686 361 V HA 0.310 4.430 4.120 -0.000 0.000 0.306 361 V C -1.029 174.865 176.094 -0.334 0.000 1.065 361 V CA -1.046 61.021 62.300 -0.389 0.000 0.894 361 V CB 2.397 34.001 31.823 -0.364 0.000 1.004 361 V HN 0.123 nan 8.190 nan 0.000 0.424 362 W N 3.211 124.447 121.300 -0.107 0.000 2.376 362 W HA 0.595 5.255 4.660 -0.000 0.000 0.322 362 W C 0.248 176.732 176.519 -0.059 0.000 1.160 362 W CA -0.839 56.453 57.345 -0.088 0.000 1.218 362 W CB 1.344 30.759 29.460 -0.076 0.000 1.205 362 W HN 0.396 nan 8.180 nan 0.000 0.559 363 R N 3.174 123.785 120.500 0.186 0.000 2.288 363 R HA 0.490 4.830 4.340 -0.000 0.000 0.326 363 R C -0.611 175.747 176.300 0.096 0.000 0.959 363 R CA -0.696 55.474 56.100 0.116 0.000 0.834 363 R CB 1.109 31.451 30.300 0.071 0.000 1.157 363 R HN 0.327 nan 8.270 nan 0.000 0.470 364 I N 2.152 122.773 120.570 0.086 0.000 2.354 364 I HA 0.318 4.488 4.170 -0.000 0.000 0.286 364 I C 0.610 176.758 176.117 0.051 0.000 1.007 364 I CA -0.527 60.799 61.300 0.044 0.000 1.167 364 I CB 1.953 39.959 38.000 0.011 0.000 1.320 364 I HN 0.606 nan 8.210 nan 0.000 0.458 365 G N 3.127 111.957 108.800 0.050 0.000 2.367 365 G HA2 0.555 4.515 3.960 -0.000 0.000 0.314 365 G HA3 0.555 4.515 3.960 -0.000 0.000 0.314 365 G C -0.174 174.760 174.900 0.056 0.000 1.130 365 G CA -0.358 44.782 45.100 0.066 0.000 0.864 365 G HN 0.541 nan 8.290 nan 0.000 0.486 366 T N 0.240 114.842 114.554 0.081 0.000 3.155 366 T HA 0.636 4.986 4.350 -0.000 0.000 0.384 366 T C 0.040 174.817 174.700 0.129 0.000 1.351 366 T CA -0.605 61.537 62.100 0.070 0.000 1.198 366 T CB 0.062 68.975 68.868 0.075 0.000 1.106 366 T HN 0.400 nan 8.240 nan 0.000 0.564 367 M N 1.782 121.456 119.600 0.123 0.000 2.591 367 M HA 0.699 5.179 4.480 -0.000 0.000 0.306 367 M C 1.174 177.593 176.300 0.199 0.000 1.190 367 M CA -0.669 54.782 55.300 0.251 0.000 0.889 367 M CB 1.924 34.640 32.600 0.193 0.000 1.728 367 M HN 0.706 nan 8.290 nan 0.000 0.458 368 G N 0.945 109.960 108.800 0.358 0.000 2.660 368 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.321 368 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.321 368 G C 0.372 175.350 174.900 0.130 0.000 1.246 368 G CA 1.388 46.627 45.100 0.233 0.000 1.000 368 G HN 0.892 nan 8.290 nan 0.000 0.550 369 Y N 2.679 122.990 120.300 0.017 0.000 2.333 369 Y HA 0.003 4.553 4.550 -0.000 0.000 0.290 369 Y C 2.603 178.473 175.900 -0.050 0.000 1.144 369 Y CA 2.338 60.429 58.100 -0.016 0.000 1.228 369 Y CB -0.214 38.244 38.460 -0.004 0.000 0.985 369 Y HN 0.355 nan 8.280 nan 0.000 0.542 370 N N 0.362 119.012 118.700 -0.084 0.000 2.336 370 N HA 0.145 4.885 4.740 -0.000 0.000 0.189 370 N C 0.031 175.419 175.510 -0.204 0.000 1.113 370 N CA 0.719 53.658 53.050 -0.185 0.000 0.858 370 N CB -0.122 38.327 38.487 -0.064 0.000 0.970 370 N HN 0.253 nan 8.380 nan 0.000 0.471 371 A N 1.253 123.948 122.820 -0.208 0.000 2.981 371 A HA 0.268 4.588 4.320 -0.000 0.000 0.280 371 A C 0.369 177.706 177.584 -0.410 0.000 1.743 371 A CA -0.030 51.856 52.037 -0.251 0.000 1.430 371 A CB -0.356 18.378 19.000 -0.444 0.000 1.085 371 A HN 0.085 nan 8.150 nan 0.000 0.597 372 R N 0.329 120.413 120.500 -0.694 0.000 2.799 372 R HA 0.334 4.674 4.340 -0.000 0.000 0.270 372 R C 0.631 176.285 176.300 -1.077 0.000 1.010 372 R CA -0.791 54.758 56.100 -0.918 0.000 0.916 372 R CB 1.580 31.577 30.300 -0.504 0.000 1.228 372 R HN 0.539 nan 8.270 nan 0.000 0.469 373 K N 1.045 120.996 120.400 -0.748 0.000 2.057 373 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 373 K C 1.207 177.600 176.600 -0.344 0.000 1.050 373 K CA 2.203 58.225 56.287 -0.442 0.000 0.935 373 K CB 0.017 32.178 32.500 -0.564 0.000 0.715 373 K HN 0.632 nan 8.250 nan 0.000 0.439 374 D N 0.268 120.482 120.400 -0.310 0.000 2.224 374 D HA -0.144 4.496 4.640 -0.000 0.000 0.205 374 D C 1.768 177.951 176.300 -0.195 0.000 0.965 374 D CA 0.812 54.675 54.000 -0.229 0.000 0.852 374 D CB -0.606 40.083 40.800 -0.185 0.000 0.947 374 D HN 0.278 nan 8.370 nan 0.000 0.494 375 C N 0.426 119.593 119.300 -0.222 0.000 2.466 375 C HA -0.008 4.451 4.460 -0.000 0.000 0.278 375 C C 3.081 177.991 174.990 -0.133 0.000 1.288 375 C CA 0.174 59.088 59.018 -0.173 0.000 1.722 375 C CB -0.775 26.847 27.740 -0.196 0.000 2.017 375 C HN 0.218 nan 8.230 nan 0.000 0.488 376 V N 0.542 120.384 119.914 -0.121 0.000 2.295 376 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 376 V C 2.492 178.537 176.094 -0.081 0.000 1.049 376 V CA 2.075 64.344 62.300 -0.050 0.000 1.024 376 V CB -0.624 31.245 31.823 0.077 0.000 0.648 376 V HN 0.392 nan 8.190 nan 0.000 0.447 377 M N -0.040 119.486 119.600 -0.124 0.000 2.108 377 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 377 M C 2.220 178.423 176.300 -0.161 0.000 1.066 377 M CA 2.050 57.233 55.300 -0.194 0.000 1.107 377 M CB -1.155 31.273 32.600 -0.288 0.000 1.356 377 M HN 0.332 nan 8.290 nan 0.000 0.406 378 T N -0.338 114.136 114.554 -0.132 0.000 2.746 378 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 378 T C 1.693 176.316 174.700 -0.128 0.000 1.039 378 T CA 1.938 63.977 62.100 -0.101 0.000 1.142 378 T CB -0.298 68.526 68.868 -0.073 0.000 0.866 378 T HN 0.439 nan 8.240 nan 0.000 0.444 379 T N 2.349 116.824 114.554 -0.131 0.000 2.737 379 T HA 0.060 4.410 4.350 -0.000 0.000 0.265 379 T C 2.000 176.591 174.700 -0.181 0.000 1.038 379 T CA 0.856 62.863 62.100 -0.154 0.000 1.144 379 T CB -0.452 68.345 68.868 -0.118 0.000 0.866 379 T HN 0.222 nan 8.240 nan 0.000 0.434 380 L N 1.523 122.661 121.223 -0.141 0.000 2.012 380 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 380 L C 2.985 179.770 176.870 -0.141 0.000 1.073 380 L CA 1.668 56.433 54.840 -0.125 0.000 0.748 380 L CB -0.756 41.248 42.059 -0.092 0.000 0.891 380 L HN 0.399 nan 8.230 nan 0.000 0.431 381 S N -0.123 115.492 115.700 -0.142 0.000 2.382 381 S HA -0.160 4.310 4.470 -0.000 0.000 0.228 381 S C 2.122 176.589 174.600 -0.221 0.000 1.027 381 S CA 0.854 58.982 58.200 -0.120 0.000 0.991 381 S CB -0.419 62.739 63.200 -0.070 0.000 0.823 381 S HN 0.354 nan 8.310 nan 0.000 0.469 382 A N 1.983 124.568 122.820 -0.391 0.000 1.898 382 A HA 0.187 4.507 4.320 -0.000 0.000 0.216 382 A C 2.324 179.497 177.584 -0.686 0.000 1.181 382 A CA 1.236 52.731 52.037 -0.903 0.000 0.620 382 A CB -0.895 17.494 19.000 -1.018 0.000 0.819 382 A HN 0.525 nan 8.150 nan 0.000 0.442 383 L N -0.611 120.359 121.223 -0.422 0.000 2.012 383 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 383 L C 2.634 179.390 176.870 -0.190 0.000 1.073 383 L CA 2.416 57.062 54.840 -0.323 0.000 0.748 383 L CB -0.449 41.445 42.059 -0.275 0.000 0.891 383 L HN 0.655 nan 8.230 nan 0.000 0.431 384 E N -0.450 119.676 120.200 -0.122 0.000 2.077 384 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 384 E C 2.094 178.699 176.600 0.009 0.000 0.989 384 E CA 1.193 57.585 56.400 -0.014 0.000 0.800 384 E CB 0.005 29.707 29.700 0.004 0.000 0.746 384 E HN 0.544 nan 8.360 nan 0.000 0.452 385 A N 0.271 123.062 122.820 -0.048 0.000 1.933 385 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 385 A C 2.361 180.000 177.584 0.092 0.000 1.175 385 A CA 1.395 53.454 52.037 0.037 0.000 0.628 385 A CB -0.515 18.533 19.000 0.080 0.000 0.814 385 A HN 0.229 nan 8.150 nan 0.000 0.444 386 V N -0.135 119.780 119.914 0.002 0.000 2.379 386 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 386 V C 2.544 178.739 176.094 0.169 0.000 1.044 386 V CA 1.741 64.098 62.300 0.095 0.000 1.036 386 V CB -0.670 31.134 31.823 -0.033 0.000 0.664 386 V HN 0.557 nan 8.190 nan 0.000 0.453 387 L N 0.204 121.496 121.223 0.115 0.000 2.046 387 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 387 L C 2.491 179.523 176.870 0.270 0.000 1.077 387 L CA 1.509 56.477 54.840 0.213 0.000 0.747 387 L CB -0.722 41.511 42.059 0.291 0.000 0.896 387 L HN 0.387 nan 8.230 nan 0.000 0.432 388 N N -0.622 118.207 118.700 0.214 0.000 2.166 388 N HA -0.253 4.487 4.740 -0.000 0.000 0.186 388 N C 1.781 177.406 175.510 0.192 0.000 1.019 388 N CA 1.428 54.579 53.050 0.169 0.000 0.856 388 N CB -0.371 38.194 38.487 0.129 0.000 0.993 388 N HN 0.394 nan 8.380 nan 0.000 0.426 389 Y N 0.802 121.156 120.300 0.090 0.000 2.224 389 Y HA -0.078 4.472 4.550 -0.000 0.000 0.289 389 Y C 1.331 177.281 175.900 0.084 0.000 1.146 389 Y CA 0.877 59.026 58.100 0.083 0.000 1.182 389 Y CB 0.046 38.562 38.460 0.093 0.000 0.983 389 Y HN -0.091 nan 8.280 nan 0.000 0.524 390 L N 1.619 122.918 121.223 0.128 0.000 2.672 390 L HA 0.086 4.426 4.340 -0.000 0.000 0.236 390 L C 0.456 177.375 176.870 0.080 0.000 1.186 390 L CA 0.663 55.532 54.840 0.050 0.000 0.977 390 L CB -1.180 40.953 42.059 0.125 0.000 1.203 390 L HN 0.216 nan 8.230 nan 0.000 0.448 391 K N -2.115 118.330 120.400 0.075 0.000 3.391 391 K HA -0.273 4.047 4.320 -0.000 0.000 0.307 391 K C 0.181 176.868 176.600 0.146 0.000 1.304 391 K CA 0.563 56.895 56.287 0.074 0.000 0.904 391 K CB -1.982 30.540 32.500 0.035 0.000 1.293 391 K HN 0.176 nan 8.250 nan 0.000 0.470 392 F N 2.712 122.688 119.950 0.043 0.000 2.375 392 F HA 0.328 4.855 4.527 -0.000 0.000 0.362 392 F C -2.279 173.549 175.800 0.046 0.000 1.129 392 F CA -2.623 55.407 58.000 0.050 0.000 1.154 392 F CB 0.716 39.760 39.000 0.073 0.000 1.205 392 F HN -0.211 nan 8.300 nan 0.000 0.513 393 P HA 0.262 nan 4.420 nan 0.000 0.281 393 P C -0.949 176.038 177.300 -0.521 0.000 1.252 393 P CA -0.166 62.720 63.100 -0.356 0.000 0.778 393 P CB 1.120 32.679 31.700 -0.235 0.000 0.895 394 T N -1.136 113.264 114.554 -0.258 0.000 2.916 394 T HA 0.459 4.809 4.350 -0.000 0.000 0.292 394 T C -0.265 174.390 174.700 -0.075 0.000 1.055 394 T CA -0.759 61.241 62.100 -0.167 0.000 1.009 394 T CB 0.552 69.393 68.868 -0.046 0.000 1.118 394 T HN 0.121 nan 8.240 nan 0.000 0.497 395 T N 2.558 117.086 114.554 -0.042 0.000 2.834 395 T HA 0.165 4.515 4.350 -0.000 0.000 0.298 395 T C 0.313 175.019 174.700 0.011 0.000 0.966 395 T CA -0.176 61.917 62.100 -0.013 0.000 1.141 395 T CB 0.476 69.343 68.868 -0.001 0.000 0.905 395 T HN 0.705 nan 8.240 nan 0.000 0.535 396 Q N 1.850 121.659 119.800 0.014 0.000 2.255 396 Q HA 0.298 4.638 4.340 -0.000 0.000 0.280 396 Q C 1.320 177.346 176.000 0.045 0.000 1.068 396 Q CA 0.978 56.799 55.803 0.030 0.000 0.911 396 Q CB -0.230 28.524 28.738 0.026 0.000 1.157 396 Q HN 1.051 nan 8.270 nan 0.000 0.380 397 G N 2.673 111.513 108.800 0.066 0.000 2.205 397 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.261 397 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.261 397 G C 0.710 175.672 174.900 0.104 0.000 0.980 397 G CA 0.496 45.652 45.100 0.094 0.000 0.632 397 G HN 0.855 nan 8.290 nan 0.000 0.533 398 A N 0.360 123.227 122.820 0.078 0.000 1.897 398 A HA 0.516 4.836 4.320 -0.000 0.000 0.215 398 A C 2.811 180.447 177.584 0.086 0.000 1.181 398 A CA 2.517 54.599 52.037 0.074 0.000 0.620 398 A CB -0.821 18.209 19.000 0.051 0.000 0.821 398 A HN 1.727 nan 8.150 nan 0.000 0.443 399 A N -0.852 122.015 122.820 0.078 0.000 1.898 399 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 399 A C 2.128 179.756 177.584 0.074 0.000 1.181 399 A CA 1.950 54.025 52.037 0.064 0.000 0.620 399 A CB -0.432 18.597 19.000 0.049 0.000 0.819 399 A HN 0.409 nan 8.150 nan 0.000 0.442 400 M N -1.038 118.631 119.600 0.115 0.000 2.200 400 M HA -0.074 4.406 4.480 -0.000 0.000 0.265 400 M C 2.182 178.693 176.300 0.352 0.000 1.066 400 M CA 1.639 57.032 55.300 0.154 0.000 1.127 400 M CB -1.307 31.441 32.600 0.246 0.000 1.379 400 M HN 0.596 nan 8.290 nan 0.000 0.420 401 Q N 0.799 120.795 119.800 0.328 0.000 2.061 401 Q HA -0.078 4.262 4.340 -0.000 0.000 0.204 401 Q C 2.036 178.188 176.000 0.254 0.000 0.984 401 Q CA 2.552 58.541 55.803 0.310 0.000 0.846 401 Q CB -0.381 28.460 28.738 0.171 0.000 0.902 401 Q HN 0.450 nan 8.270 nan 0.000 0.421 402 A N 0.294 123.211 122.820 0.162 0.000 1.877 402 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 402 A C 2.312 179.963 177.584 0.112 0.000 1.186 402 A CA 2.020 54.123 52.037 0.110 0.000 0.620 402 A CB -1.300 17.734 19.000 0.057 0.000 0.822 402 A HN 0.555 nan 8.150 nan 0.000 0.443 403 A N -1.367 121.507 122.820 0.091 0.000 1.858 403 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 403 A C 2.085 179.795 177.584 0.209 0.000 1.190 403 A CA 1.414 53.481 52.037 0.050 0.000 0.617 403 A CB -0.908 18.094 19.000 0.003 0.000 0.827 403 A HN 0.740 nan 8.150 nan 0.000 0.443 404 W N 0.730 122.154 121.300 0.207 0.000 2.338 404 W HA -0.147 4.513 4.660 -0.000 0.000 0.304 404 W C 1.570 178.181 176.519 0.153 0.000 1.212 404 W CA 1.915 59.384 57.345 0.207 0.000 1.264 404 W CB -0.772 28.761 29.460 0.121 0.000 1.142 404 W HN 0.425 nan 8.180 nan 0.000 0.512 405 D N -2.418 118.182 120.400 0.332 0.000 2.219 405 D HA -0.151 4.489 4.640 -0.000 0.000 0.205 405 D C 1.998 178.388 176.300 0.150 0.000 0.970 405 D CA 1.245 55.364 54.000 0.199 0.000 0.851 405 D CB -0.653 40.235 40.800 0.146 0.000 0.943 405 D HN 0.313 nan 8.370 nan 0.000 0.488 406 H N -0.623 118.460 119.070 0.022 0.000 2.363 406 H HA -0.125 4.431 4.556 -0.000 0.000 0.301 406 H C 1.576 176.857 175.328 -0.077 0.000 1.074 406 H CA 1.074 57.068 56.048 -0.090 0.000 1.354 406 H CB 0.051 29.675 29.762 -0.230 0.000 1.397 406 H HN 0.128 nan 8.280 nan 0.000 0.516 407 Y N 0.753 121.042 120.300 -0.017 0.000 2.242 407 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 407 Y C 3.175 179.054 175.900 -0.035 0.000 1.137 407 Y CA 1.259 59.321 58.100 -0.064 0.000 1.181 407 Y CB -0.512 37.977 38.460 0.047 0.000 0.989 407 Y HN 0.004 nan 8.280 nan 0.000 0.527 408 R N -0.902 119.713 120.500 0.191 0.000 2.092 408 R HA -0.074 4.266 4.340 -0.000 0.000 0.231 408 R C 2.488 178.813 176.300 0.042 0.000 1.119 408 R CA 1.146 57.318 56.100 0.120 0.000 0.970 408 R CB -1.182 29.197 30.300 0.130 0.000 0.864 408 R HN 0.360 nan 8.270 nan 0.000 0.440 409 S N 0.062 115.764 115.700 0.003 0.000 2.383 409 S HA -0.119 4.351 4.470 -0.000 0.000 0.227 409 S C 2.450 177.009 174.600 -0.068 0.000 1.026 409 S CA 1.391 59.574 58.200 -0.028 0.000 0.981 409 S CB -0.266 62.919 63.200 -0.025 0.000 0.818 409 S HN 0.798 nan 8.310 nan 0.000 0.472 410 E N 1.168 121.279 120.200 -0.150 0.000 2.418 410 E HA 0.130 4.480 4.350 -0.000 0.000 0.197 410 E C 1.163 177.728 176.600 -0.058 0.000 1.026 410 E CA 1.031 57.338 56.400 -0.155 0.000 0.862 410 E CB -0.850 28.660 29.700 -0.316 0.000 0.799 410 E HN 0.707 nan 8.360 nan 0.000 0.518 411 R N 0.000 120.489 120.500 -0.019 0.000 2.786 411 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 411 R CA 0.000 56.104 56.100 0.007 0.000 0.921 411 R CB 0.000 30.318 30.300 0.030 0.000 0.687 411 R HN 0.000 nan 8.270 nan 0.000 0.535