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_C 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 RRRKCVEEGI 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 0.000 176.444 176.300 0.240 0.000 2.045 2 D CA 0.000 54.074 54.000 0.122 0.000 0.868 2 D CB 0.000 40.841 40.800 0.068 0.000 0.688 3 I N 0.000 120.690 120.570 0.200 0.000 2.439 3 I HA -0.005 4.165 4.170 -0.000 0.000 0.251 3 I C 2.803 179.076 176.117 0.259 0.000 1.139 3 I CA 3.030 64.480 61.300 0.250 0.000 1.438 3 I CB -0.030 38.021 38.000 0.086 0.000 1.085 3 I HN 0.755 nan 8.210 nan 0.000 0.427 4 T N -0.732 113.908 114.554 0.144 0.000 2.929 4 T HA -0.247 4.103 4.350 -0.000 0.000 0.271 4 T C 1.570 176.314 174.700 0.073 0.000 1.085 4 T CA 1.275 63.431 62.100 0.095 0.000 1.125 4 T CB -0.776 68.124 68.868 0.053 0.000 0.874 4 T HN 0.707 nan 8.240 nan 0.000 0.494 5 Q N -0.018 119.812 119.800 0.049 0.000 2.444 5 Q HA 0.210 4.550 4.340 -0.000 0.000 0.206 5 Q C -0.507 175.345 176.000 -0.247 0.000 0.948 5 Q CA -0.070 55.676 55.803 -0.096 0.000 0.946 5 Q CB -0.441 28.202 28.738 -0.158 0.000 1.027 5 Q HN 0.521 nan 8.270 nan 0.000 0.513 6 F N 2.144 122.097 119.950 0.005 0.000 2.361 6 F HA 0.337 4.864 4.527 -0.000 0.000 0.364 6 F C 0.289 176.092 175.800 0.006 0.000 1.117 6 F CA -0.761 57.242 58.000 0.006 0.000 1.071 6 F CB 1.415 40.419 39.000 0.006 0.000 1.188 6 F HN 0.071 nan 8.300 nan 0.000 0.464 7 S N 2.111 117.888 115.700 0.129 0.000 2.766 7 S HA 0.395 4.865 4.470 -0.000 0.000 0.307 7 S C -0.407 174.241 174.600 0.080 0.000 1.121 7 S CA -1.092 57.158 58.200 0.083 0.000 0.980 7 S CB 1.230 64.453 63.200 0.038 0.000 1.159 7 S HN 0.656 nan 8.310 nan 0.000 0.546 8 Q N 0.413 120.246 119.800 0.055 0.000 2.333 8 Q HA 0.017 4.357 4.340 -0.000 0.000 0.299 8 Q C -0.545 175.482 176.000 0.045 0.000 1.067 8 Q CA -0.283 55.548 55.803 0.046 0.000 0.943 8 Q CB 0.224 28.982 28.738 0.033 0.000 1.233 8 Q HN 0.681 nan 8.270 nan 0.000 0.401 9 L N 5.211 126.461 121.223 0.045 0.000 2.584 9 L HA -0.019 4.321 4.340 -0.000 0.000 0.272 9 L C -0.318 176.572 176.870 0.033 0.000 1.195 9 L CA 1.468 56.334 54.840 0.042 0.000 0.920 9 L CB -0.408 41.675 42.059 0.040 0.000 1.173 9 L HN 0.899 nan 8.230 nan 0.000 0.489 10 N N 6.610 125.328 118.700 0.031 0.000 2.685 10 N HA 0.341 5.081 4.740 -0.000 0.000 0.252 10 N C -2.564 172.960 175.510 0.023 0.000 1.261 10 N CA -0.868 52.197 53.050 0.024 0.000 0.768 10 N CB 1.407 39.906 38.487 0.019 0.000 1.304 10 N HN 0.431 nan 8.380 nan 0.000 0.536 11 P HA 0.454 nan 4.420 nan 0.000 0.286 11 P C -2.573 174.742 177.300 0.024 0.000 1.261 11 P CA -0.896 62.220 63.100 0.027 0.000 0.821 11 P CB 0.549 32.268 31.700 0.031 0.000 1.013 12 P HA 0.067 nan 4.420 nan 0.000 0.271 12 P C -0.081 177.233 177.300 0.024 0.000 1.218 12 P CA -0.198 62.914 63.100 0.020 0.000 0.780 12 P CB 0.502 32.213 31.700 0.019 0.000 0.901 13 S N 2.252 117.964 115.700 0.021 0.000 2.525 13 S HA 0.144 4.614 4.470 -0.000 0.000 0.285 13 S C -0.007 174.610 174.600 0.029 0.000 1.283 13 S CA -0.283 57.933 58.200 0.025 0.000 1.072 13 S CB -0.554 62.657 63.200 0.020 0.000 0.867 13 S HN 0.251 nan 8.310 nan 0.000 0.492 14 R N 3.019 123.541 120.500 0.036 0.000 2.673 14 R HA 0.411 4.751 4.340 -0.000 0.000 0.281 14 R C -1.480 174.843 176.300 0.039 0.000 0.991 14 R CA -0.876 55.247 56.100 0.038 0.000 0.896 14 R CB 1.470 31.794 30.300 0.040 0.000 1.201 14 R HN 0.526 nan 8.270 nan 0.000 0.457 15 L N 3.678 124.919 121.223 0.030 0.000 2.277 15 L HA 0.409 4.749 4.340 -0.000 0.000 0.284 15 L C -0.811 176.068 176.870 0.016 0.000 1.028 15 L CA -0.183 54.667 54.840 0.017 0.000 0.835 15 L CB 0.703 42.761 42.059 -0.002 0.000 1.215 15 L HN 0.480 nan 8.230 nan 0.000 0.425 16 L N 6.838 128.078 121.223 0.028 0.000 2.302 16 L HA 0.294 4.634 4.340 -0.000 0.000 0.285 16 L C 0.317 177.203 176.870 0.026 0.000 1.090 16 L CA -0.021 54.840 54.840 0.035 0.000 0.866 16 L CB 0.411 42.503 42.059 0.055 0.000 1.244 16 L HN 0.633 nan 8.230 nan 0.000 0.435 17 M N 1.819 121.426 119.600 0.011 0.000 2.685 17 M HA 0.261 4.741 4.480 -0.000 0.000 0.355 17 M C 0.794 177.106 176.300 0.019 0.000 1.197 17 M CA -0.115 55.187 55.300 0.004 0.000 0.947 17 M CB 0.272 32.855 32.600 -0.028 0.000 1.346 17 M HN 0.501 nan 8.290 nan 0.000 0.516 18 G N 1.851 110.674 108.800 0.038 0.000 2.531 18 G HA2 0.364 4.324 3.960 -0.000 0.000 0.253 18 G HA3 0.364 4.324 3.960 -0.000 0.000 0.253 18 G C -1.829 173.117 174.900 0.077 0.000 1.439 18 G CA -0.452 44.682 45.100 0.056 0.000 1.056 18 G HN 0.161 nan 8.290 nan 0.000 0.555 19 P HA 0.226 nan 4.420 nan 0.000 0.253 19 P C 0.515 177.881 177.300 0.111 0.000 1.260 19 P CA 0.984 64.152 63.100 0.114 0.000 0.800 19 P CB 0.341 32.129 31.700 0.147 0.000 1.162 20 G N 1.223 110.084 108.800 0.102 0.000 2.525 20 G HA2 0.018 3.978 3.960 -0.000 0.000 0.685 20 G HA3 0.018 3.978 3.960 -0.000 0.000 0.685 20 G C -3.199 171.765 174.900 0.107 0.000 1.285 20 G CA -0.954 44.204 45.100 0.096 0.000 0.849 20 G HN -0.024 nan 8.290 nan 0.000 0.653 21 P HA 0.584 nan 4.420 nan 0.000 0.275 21 P C 0.178 177.525 177.300 0.079 0.000 1.228 21 P CA -0.333 62.815 63.100 0.081 0.000 0.786 21 P CB 1.146 32.892 31.700 0.076 0.000 0.927 22 I N -0.930 119.688 120.570 0.081 0.000 2.947 22 I HA 0.442 4.612 4.170 -0.000 0.000 0.314 22 I C -0.164 176.010 176.117 0.095 0.000 1.028 22 I CA -1.180 60.171 61.300 0.085 0.000 1.077 22 I CB 0.562 38.616 38.000 0.089 0.000 1.274 22 I HN 0.111 nan 8.210 nan 0.000 0.485 23 N N 2.097 120.864 118.700 0.113 0.000 2.412 23 N HA 0.368 5.108 4.740 -0.000 0.000 0.254 23 N C -0.264 175.334 175.510 0.147 0.000 1.232 23 N CA 0.305 53.439 53.050 0.141 0.000 0.880 23 N CB 0.544 39.153 38.487 0.203 0.000 1.076 23 N HN 0.876 nan 8.380 nan 0.000 0.458 24 A N 1.318 124.179 122.820 0.069 0.000 2.332 24 A HA 0.081 4.401 4.320 -0.000 0.000 0.258 24 A C 0.160 177.645 177.584 -0.165 0.000 1.087 24 A CA -0.448 51.589 52.037 -0.001 0.000 0.802 24 A CB 0.302 19.293 19.000 -0.015 0.000 1.042 24 A HN 0.673 nan 8.150 nan 0.000 0.489 25 D N 0.903 121.173 120.400 -0.217 0.000 2.390 25 D HA 0.158 4.798 4.640 -0.000 0.000 0.249 25 D C -1.564 174.497 176.300 -0.400 0.000 1.144 25 D CA -1.387 52.322 54.000 -0.486 0.000 0.880 25 D CB 1.151 41.820 40.800 -0.217 0.000 1.182 25 D HN 0.088 nan 8.370 nan 0.000 0.451 26 P HA -0.129 nan 4.420 nan 0.000 0.217 26 P C 0.994 178.200 177.300 -0.156 0.000 1.148 26 P CA 1.245 64.183 63.100 -0.270 0.000 0.828 26 P CB 0.295 31.849 31.700 -0.243 0.000 0.783 27 R N -1.041 119.369 120.500 -0.149 0.000 2.148 27 R HA -0.048 4.292 4.340 -0.000 0.000 0.227 27 R C 2.064 178.324 176.300 -0.066 0.000 1.103 27 R CA 0.900 56.948 56.100 -0.087 0.000 0.983 27 R CB -1.304 28.955 30.300 -0.069 0.000 0.874 27 R HN 0.123 nan 8.270 nan 0.000 0.451 28 V N 0.592 120.464 119.914 -0.071 0.000 2.379 28 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 28 V C 2.044 178.130 176.094 -0.014 0.000 1.044 28 V CA 1.447 63.728 62.300 -0.030 0.000 1.036 28 V CB -0.358 31.453 31.823 -0.021 0.000 0.664 28 V HN 0.221 nan 8.190 nan 0.000 0.453 29 L N -0.543 120.660 121.223 -0.033 0.000 2.083 29 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 29 L C 2.761 179.627 176.870 -0.007 0.000 1.083 29 L CA 1.583 56.415 54.840 -0.014 0.000 0.752 29 L CB -0.640 41.403 42.059 -0.028 0.000 0.899 29 L HN 0.200 nan 8.230 nan 0.000 0.433 30 R N 0.092 120.578 120.500 -0.024 0.000 2.081 30 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 30 R C 2.398 178.685 176.300 -0.021 0.000 1.131 30 R CA 1.324 57.411 56.100 -0.023 0.000 0.960 30 R CB -0.493 29.786 30.300 -0.035 0.000 0.856 30 R HN 0.357 nan 8.270 nan 0.000 0.436 31 A N 0.735 123.541 122.820 -0.025 0.000 2.070 31 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 31 A C 2.049 179.659 177.584 0.044 0.000 1.159 31 A CA 1.121 53.135 52.037 -0.040 0.000 0.656 31 A CB -0.326 18.649 19.000 -0.042 0.000 0.800 31 A HN 0.205 nan 8.150 nan 0.000 0.453 32 M N 0.143 119.790 119.600 0.079 0.000 2.349 32 M HA -0.090 4.390 4.480 -0.000 0.000 0.266 32 M C 2.172 178.539 176.300 0.113 0.000 1.076 32 M CA 1.452 56.831 55.300 0.130 0.000 1.126 32 M CB -0.244 32.406 32.600 0.084 0.000 1.392 32 M HN 0.599 nan 8.290 nan 0.000 0.440 33 S N -0.894 114.842 115.700 0.060 0.000 2.522 33 S HA 0.012 4.482 4.470 -0.000 0.000 0.227 33 S C 1.036 175.663 174.600 0.045 0.000 0.986 33 S CA -0.137 58.091 58.200 0.046 0.000 0.929 33 S CB -0.346 62.867 63.200 0.021 0.000 0.769 33 S HN 0.317 nan 8.310 nan 0.000 0.529 34 S N 1.372 117.092 115.700 0.035 0.000 2.568 34 S HA 0.119 4.589 4.470 -0.000 0.000 0.282 34 S C 0.167 174.813 174.600 0.076 0.000 1.338 34 S CA -0.442 57.748 58.200 -0.017 0.000 1.045 34 S CB 0.253 63.329 63.200 -0.207 0.000 0.873 34 S HN 0.596 nan 8.310 nan 0.000 0.516 35 Q N 2.049 121.878 119.800 0.047 0.000 2.421 35 Q HA 0.284 4.624 4.340 -0.000 0.000 0.255 35 Q C -0.208 175.906 176.000 0.189 0.000 1.013 35 Q CA -0.024 55.836 55.803 0.095 0.000 0.895 35 Q CB 0.497 29.269 28.738 0.057 0.000 1.271 35 Q HN 0.599 nan 8.270 nan 0.000 0.460 36 L N 2.653 123.984 121.223 0.180 0.000 2.456 36 L HA 0.450 4.790 4.340 -0.000 0.000 0.257 36 L C 0.330 177.304 176.870 0.173 0.000 1.162 36 L CA -0.654 54.310 54.840 0.208 0.000 0.808 36 L CB 0.361 42.483 42.059 0.106 0.000 1.136 36 L HN 0.556 nan 8.230 nan 0.000 0.466 37 I N -1.744 118.931 120.570 0.174 0.000 3.239 37 I HA 0.631 4.801 4.170 -0.000 0.000 0.314 37 I C 0.155 176.313 176.117 0.070 0.000 1.126 37 I CA -0.696 60.680 61.300 0.126 0.000 0.973 37 I CB 1.189 39.287 38.000 0.163 0.000 1.252 37 I HN 0.541 nan 8.210 nan 0.000 0.463 38 G N 0.890 109.724 108.800 0.056 0.000 2.594 38 G HA2 0.108 4.068 3.960 -0.000 0.000 0.243 38 G HA3 0.108 4.068 3.960 -0.000 0.000 0.243 38 G C 0.393 175.283 174.900 -0.017 0.000 1.229 38 G CA -0.047 45.071 45.100 0.030 0.000 0.843 38 G HN 0.939 nan 8.290 nan 0.000 0.578 39 Q N -0.059 119.693 119.800 -0.081 0.000 2.112 39 Q HA -0.190 4.150 4.340 -0.000 0.000 0.206 39 Q C 0.649 176.402 176.000 -0.413 0.000 0.987 39 Q CA 1.699 57.335 55.803 -0.277 0.000 0.858 39 Q CB -0.134 28.380 28.738 -0.373 0.000 0.905 39 Q HN 0.683 nan 8.270 nan 0.000 0.420 40 Y N 0.338 120.647 120.300 0.015 0.000 2.681 40 Y HA 0.256 4.806 4.550 -0.000 0.000 0.267 40 Y C -0.396 175.508 175.900 0.007 0.000 1.166 40 Y CA -0.819 57.286 58.100 0.007 0.000 1.209 40 Y CB 0.481 38.951 38.460 0.016 0.000 1.161 40 Y HN 0.036 nan 8.280 nan 0.000 0.534 41 D N 1.355 121.817 120.400 0.103 0.000 2.424 41 D HA 0.013 4.653 4.640 -0.000 0.000 0.244 41 D C -1.724 174.613 176.300 0.062 0.000 1.134 41 D CA -1.378 52.670 54.000 0.079 0.000 0.881 41 D CB 1.864 42.707 40.800 0.072 0.000 1.191 41 D HN 0.063 nan 8.370 nan 0.000 0.445 42 P HA -0.144 nan 4.420 nan 0.000 0.218 42 P C 0.778 178.075 177.300 -0.006 0.000 1.146 42 P CA 1.324 64.434 63.100 0.016 0.000 0.813 42 P CB 0.197 31.891 31.700 -0.010 0.000 0.778 43 A N -1.286 121.526 122.820 -0.013 0.000 1.929 43 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 43 A C 2.186 179.783 177.584 0.020 0.000 1.176 43 A CA 1.747 53.744 52.037 -0.068 0.000 0.628 43 A CB -1.248 17.749 19.000 -0.006 0.000 0.816 43 A HN 0.109 nan 8.150 nan 0.000 0.444 44 M N 0.839 120.508 119.600 0.115 0.000 2.099 44 M HA -0.115 4.365 4.480 -0.000 0.000 0.262 44 M C 2.189 178.520 176.300 0.052 0.000 1.067 44 M CA 2.614 58.001 55.300 0.144 0.000 1.124 44 M CB -0.835 31.788 32.600 0.038 0.000 1.353 44 M HN 0.540 nan 8.290 nan 0.000 0.410 45 T N -2.873 111.684 114.554 0.005 0.000 2.951 45 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 45 T C 2.046 176.764 174.700 0.029 0.000 1.073 45 T CA 1.514 63.599 62.100 -0.024 0.000 1.134 45 T CB -0.960 67.909 68.868 0.001 0.000 0.884 45 T HN 0.585 nan 8.240 nan 0.000 0.479 46 H N -0.211 118.816 119.070 -0.073 0.000 2.357 46 H HA -0.034 4.522 4.556 -0.000 0.000 0.301 46 H C 1.790 177.094 175.328 -0.040 0.000 1.082 46 H CA 1.401 57.384 56.048 -0.108 0.000 1.342 46 H CB -0.225 29.398 29.762 -0.231 0.000 1.389 46 H HN 0.555 nan 8.280 nan 0.000 0.511 47 Y N 0.117 120.451 120.300 0.057 0.000 2.293 47 Y HA -0.184 4.366 4.550 -0.000 0.000 0.291 47 Y C 2.976 178.913 175.900 0.061 0.000 1.137 47 Y CA 0.626 58.759 58.100 0.055 0.000 1.202 47 Y CB 0.053 38.621 38.460 0.180 0.000 0.990 47 Y HN 0.171 nan 8.280 nan 0.000 0.537 48 M N -0.158 119.545 119.600 0.171 0.000 2.099 48 M HA -0.250 4.230 4.480 -0.000 0.000 0.262 48 M C 1.682 178.129 176.300 0.244 0.000 1.067 48 M CA 1.811 57.206 55.300 0.159 0.000 1.124 48 M CB -0.497 31.980 32.600 -0.205 0.000 1.353 48 M HN 0.296 nan 8.290 nan 0.000 0.410 49 N N -0.174 118.583 118.700 0.096 0.000 2.205 49 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 49 N C 1.538 177.059 175.510 0.019 0.000 1.015 49 N CA 1.002 54.083 53.050 0.052 0.000 0.862 49 N CB -0.044 38.430 38.487 -0.021 0.000 0.986 49 N HN 0.442 nan 8.380 nan 0.000 0.429 50 E N 0.450 120.633 120.200 -0.028 0.000 2.072 50 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 50 E C 2.084 178.746 176.600 0.103 0.000 0.982 50 E CA 0.667 57.061 56.400 -0.009 0.000 0.803 50 E CB 0.122 29.808 29.700 -0.022 0.000 0.755 50 E HN 0.133 nan 8.360 nan 0.000 0.453 51 V N 1.556 121.595 119.914 0.209 0.000 2.343 51 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 51 V C 2.303 178.584 176.094 0.313 0.000 1.051 51 V CA 1.665 64.149 62.300 0.307 0.000 1.036 51 V CB -0.411 31.660 31.823 0.414 0.000 0.654 51 V HN 0.309 nan 8.190 nan 0.000 0.451 52 M N -0.124 119.622 119.600 0.242 0.000 2.065 52 M HA -0.199 4.281 4.480 -0.000 0.000 0.259 52 M C 2.461 178.835 176.300 0.123 0.000 1.071 52 M CA 2.392 57.786 55.300 0.158 0.000 1.109 52 M CB -0.752 31.924 32.600 0.128 0.000 1.313 52 M HN 0.384 nan 8.290 nan 0.000 0.408 53 A N 0.630 123.495 122.820 0.075 0.000 1.883 53 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 53 A C 2.153 179.751 177.584 0.023 0.000 1.186 53 A CA 1.674 53.730 52.037 0.031 0.000 0.624 53 A CB -1.104 17.898 19.000 0.004 0.000 0.822 53 A HN 0.470 nan 8.150 nan 0.000 0.444 54 L N -2.499 118.732 121.223 0.013 0.000 2.083 54 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 54 L C 2.505 179.272 176.870 -0.172 0.000 1.083 54 L CA 1.377 56.159 54.840 -0.096 0.000 0.752 54 L CB -0.513 41.455 42.059 -0.153 0.000 0.899 54 L HN 0.475 nan 8.230 nan 0.000 0.433 55 Y N -0.377 119.926 120.300 0.006 0.000 2.457 55 Y HA -0.065 4.485 4.550 -0.000 0.000 0.292 55 Y C 2.619 178.582 175.900 0.105 0.000 1.125 55 Y CA 0.619 58.719 58.100 -0.000 0.000 1.254 55 Y CB -0.180 38.316 38.460 0.060 0.000 1.012 55 Y HN 0.013 nan 8.280 nan 0.000 0.555 56 R N -0.693 119.932 120.500 0.207 0.000 2.105 56 R HA -0.140 4.200 4.340 -0.000 0.000 0.239 56 R C 2.479 178.824 176.300 0.075 0.000 1.135 56 R CA 1.267 57.454 56.100 0.145 0.000 0.967 56 R CB -0.742 29.595 30.300 0.062 0.000 0.861 56 R HN 0.406 nan 8.270 nan 0.000 0.442 57 G N 0.010 108.812 108.800 0.004 0.000 2.408 57 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.215 57 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.215 57 G C 1.429 176.279 174.900 -0.084 0.000 1.156 57 G CA 0.261 45.333 45.100 -0.047 0.000 0.793 57 G HN 0.099 nan 8.290 nan 0.000 0.535 58 V N 0.334 120.162 119.914 -0.142 0.000 2.323 58 V HA -0.028 4.092 4.120 -0.000 0.000 0.244 58 V C 2.351 178.326 176.094 -0.198 0.000 1.041 58 V CA 1.158 63.319 62.300 -0.232 0.000 1.025 58 V CB -0.622 30.965 31.823 -0.393 0.000 0.656 58 V HN 0.268 nan 8.190 nan 0.000 0.451 59 F N -0.064 119.882 119.950 -0.007 0.000 2.502 59 F HA 0.173 4.700 4.527 0.000 0.000 0.298 59 F C 1.335 177.076 175.800 -0.098 0.000 1.111 59 F CA 0.246 58.221 58.000 -0.041 0.000 1.445 59 F CB -0.143 38.849 39.000 -0.013 0.000 1.081 59 F HN 0.052 nan 8.300 nan 0.000 0.558 60 R N 0.625 121.160 120.500 0.059 0.000 3.201 60 R HA -0.176 4.164 4.340 -0.000 0.000 0.254 60 R C -0.165 176.128 176.300 -0.011 0.000 0.978 60 R CA 0.849 56.934 56.100 -0.026 0.000 0.661 60 R CB -2.525 27.706 30.300 -0.116 0.000 1.170 60 R HN 0.307 nan 8.270 nan 0.000 0.430 61 T N -2.052 112.519 114.554 0.028 0.000 2.864 61 T HA 0.456 4.806 4.350 -0.000 0.000 0.299 61 T C 0.318 175.020 174.700 0.004 0.000 1.166 61 T CA -0.590 61.517 62.100 0.012 0.000 1.007 61 T CB 1.614 70.491 68.868 0.014 0.000 1.219 61 T HN 0.287 nan 8.240 nan 0.000 0.506 62 E N 1.036 121.228 120.200 -0.012 0.000 2.501 62 E HA 0.196 4.546 4.350 -0.000 0.000 0.201 62 E C -0.263 176.311 176.600 -0.043 0.000 1.016 62 E CA -0.388 55.997 56.400 -0.025 0.000 0.920 62 E CB 0.261 29.945 29.700 -0.027 0.000 1.023 62 E HN 0.400 nan 8.360 nan 0.000 0.474 63 N N 2.141 120.820 118.700 -0.035 0.000 2.374 63 N HA -0.096 4.644 4.740 -0.000 0.000 0.269 63 N C 0.902 176.346 175.510 -0.110 0.000 1.310 63 N CA 0.375 53.396 53.050 -0.048 0.000 0.877 63 N CB 0.564 39.035 38.487 -0.026 0.000 1.096 63 N HN 0.224 nan 8.380 nan 0.000 0.484 64 R N 2.474 122.839 120.500 -0.224 0.000 2.127 64 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 64 R C -0.009 175.942 176.300 -0.581 0.000 1.134 64 R CA 1.278 57.093 56.100 -0.476 0.000 0.975 64 R CB 0.078 29.961 30.300 -0.695 0.000 0.865 64 R HN 0.610 nan 8.270 nan 0.000 0.447 65 W N 1.195 122.473 121.300 -0.037 0.000 1.818 65 W HA 0.272 4.932 4.660 -0.000 0.000 0.334 65 W C -0.776 175.666 176.519 -0.127 0.000 0.753 65 W CA -0.840 56.462 57.345 -0.072 0.000 1.826 65 W CB 0.918 30.338 29.460 -0.067 0.000 2.001 65 W HN -0.173 nan 8.180 nan 0.000 0.324 66 T N 3.927 118.508 114.554 0.046 0.000 2.791 66 T HA 0.637 4.987 4.350 -0.000 0.000 0.288 66 T C 0.086 174.718 174.700 -0.113 0.000 0.999 66 T CA -0.562 61.525 62.100 -0.021 0.000 0.952 66 T CB 0.710 69.617 68.868 0.065 0.000 0.938 66 T HN 0.277 nan 8.240 nan 0.000 0.444 67 M N 1.743 121.166 119.600 -0.295 0.000 3.517 67 M HA 0.645 5.125 4.480 -0.000 0.000 0.293 67 M C -2.119 173.767 176.300 -0.690 0.000 1.404 67 M CA -1.254 53.593 55.300 -0.755 0.000 0.837 67 M CB 1.392 33.253 32.600 -1.231 0.000 1.756 67 M HN 0.226 nan 8.290 nan 0.000 0.474 68 L N 1.646 122.316 121.223 -0.921 0.000 2.329 68 L HA 0.708 5.048 4.340 -0.000 0.000 0.279 68 L C -0.870 175.953 176.870 -0.079 0.000 1.014 68 L CA -1.199 53.452 54.840 -0.316 0.000 0.814 68 L CB 1.908 43.965 42.059 -0.003 0.000 1.257 68 L HN 0.425 nan 8.230 nan 0.000 0.424 69 V N 1.545 121.448 119.914 -0.019 0.000 2.383 69 V HA 0.140 4.260 4.120 -0.000 0.000 0.275 69 V C -0.525 175.657 176.094 0.146 0.000 1.036 69 V CA -0.568 61.776 62.300 0.074 0.000 0.889 69 V CB 1.485 33.341 31.823 0.055 0.000 0.985 69 V HN 0.623 nan 8.190 nan 0.000 0.459 70 D N 4.948 125.462 120.400 0.189 0.000 2.455 70 D HA 0.529 5.169 4.640 -0.000 0.000 0.234 70 D C 0.504 176.969 176.300 0.274 0.000 1.224 70 D CA 0.817 54.955 54.000 0.231 0.000 0.999 70 D CB 0.735 41.699 40.800 0.273 0.000 1.072 70 D HN 0.869 nan 8.370 nan 0.000 0.514 71 G N 0.172 109.098 108.800 0.210 0.000 2.316 71 G HA2 0.233 4.193 3.960 -0.000 0.000 0.296 71 G HA3 0.233 4.193 3.960 -0.000 0.000 0.296 71 G C -0.237 174.748 174.900 0.142 0.000 1.399 71 G CA -0.901 44.321 45.100 0.203 0.000 0.833 71 G HN 0.155 nan 8.290 nan 0.000 0.565 72 T N 0.248 114.876 114.554 0.123 0.000 2.724 72 T HA 0.291 4.641 4.350 -0.000 0.000 0.324 72 T C 2.081 176.828 174.700 0.078 0.000 1.071 72 T CA 0.729 62.883 62.100 0.091 0.000 1.061 72 T CB 0.424 69.344 68.868 0.086 0.000 0.990 72 T HN 0.614 nan 8.240 nan 0.000 0.543 73 S N 1.289 117.022 115.700 0.055 0.000 2.374 73 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 73 S C 2.046 176.664 174.600 0.030 0.000 1.037 73 S CA 1.386 59.605 58.200 0.031 0.000 1.024 73 S CB -0.261 62.939 63.200 -0.000 0.000 0.861 73 S HN 0.734 nan 8.310 nan 0.000 0.456 74 R N 1.534 122.063 120.500 0.047 0.000 2.316 74 R HA 0.227 4.567 4.340 -0.000 0.000 0.202 74 R C 1.876 178.163 176.300 -0.021 0.000 1.029 74 R CA 0.926 57.048 56.100 0.037 0.000 1.018 74 R CB -0.375 29.975 30.300 0.083 0.000 0.888 74 R HN 0.367 nan 8.270 nan 0.000 0.471 75 A N 1.383 124.211 122.820 0.013 0.000 1.930 75 A HA 0.119 4.439 4.320 -0.000 0.000 0.215 75 A C 2.389 179.870 177.584 -0.171 0.000 1.176 75 A CA 0.989 53.020 52.037 -0.011 0.000 0.632 75 A CB -0.730 18.430 19.000 0.268 0.000 0.819 75 A HN 0.483 nan 8.150 nan 0.000 0.445 76 G N 0.272 109.040 108.800 -0.055 0.000 2.408 76 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 76 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 76 G C 1.488 176.308 174.900 -0.133 0.000 1.150 76 G CA 1.090 46.146 45.100 -0.074 0.000 0.776 76 G HN 0.468 nan 8.290 nan 0.000 0.542 77 I N 0.484 120.989 120.570 -0.107 0.000 2.142 77 I HA -0.157 4.013 4.170 -0.000 0.000 0.240 77 I C 2.624 178.560 176.117 -0.303 0.000 1.078 77 I CA 1.718 62.933 61.300 -0.141 0.000 1.343 77 I CB -0.310 37.675 38.000 -0.026 0.000 1.046 77 I HN 0.268 nan 8.210 nan 0.000 0.405 78 E N 1.360 121.341 120.200 -0.365 0.000 2.110 78 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 78 E C 2.226 178.430 176.600 -0.660 0.000 0.988 78 E CA 1.312 57.413 56.400 -0.498 0.000 0.804 78 E CB -0.052 29.309 29.700 -0.565 0.000 0.745 78 E HN 0.463 nan 8.360 nan 0.000 0.458 79 A N 0.896 123.226 122.820 -0.817 0.000 1.908 79 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 79 A C 2.174 179.610 177.584 -0.246 0.000 1.181 79 A CA 1.624 53.386 52.037 -0.459 0.000 0.627 79 A CB -0.633 18.246 19.000 -0.202 0.000 0.818 79 A HN 0.374 nan 8.150 nan 0.000 0.445 80 I N -0.459 119.947 120.570 -0.273 0.000 2.193 80 I HA -0.208 3.962 4.170 -0.000 0.000 0.240 80 I C 2.396 178.357 176.117 -0.261 0.000 1.084 80 I CA 0.957 62.104 61.300 -0.255 0.000 1.365 80 I CB -0.312 37.501 38.000 -0.311 0.000 1.064 80 I HN 0.284 nan 8.210 nan 0.000 0.410 81 L N 0.083 121.117 121.223 -0.315 0.000 2.046 81 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 81 L C 2.593 179.383 176.870 -0.133 0.000 1.077 81 L CA 1.171 55.867 54.840 -0.240 0.000 0.747 81 L CB -0.721 41.196 42.059 -0.237 0.000 0.896 81 L HN 0.137 nan 8.230 nan 0.000 0.432 82 V N -1.086 118.758 119.914 -0.118 0.000 2.515 82 V HA -0.211 3.909 4.120 -0.000 0.000 0.250 82 V C 2.433 178.520 176.094 -0.011 0.000 1.058 82 V CA 1.757 64.044 62.300 -0.022 0.000 1.064 82 V CB -0.200 31.646 31.823 0.039 0.000 0.675 82 V HN 0.349 nan 8.190 nan 0.000 0.461 83 S N -0.432 115.234 115.700 -0.056 0.000 2.470 83 S HA 0.160 4.630 4.470 -0.000 0.000 0.225 83 S C 1.991 176.555 174.600 -0.060 0.000 1.006 83 S CA 0.956 59.122 58.200 -0.057 0.000 0.934 83 S CB 0.133 63.285 63.200 -0.080 0.000 0.778 83 S HN 0.638 nan 8.310 nan 0.000 0.517 84 A N 0.759 123.538 122.820 -0.068 0.000 1.973 84 A HA 0.411 4.731 4.320 -0.000 0.000 0.210 84 A C 0.693 178.262 177.584 -0.026 0.000 1.200 84 A CA 0.081 52.086 52.037 -0.053 0.000 0.707 84 A CB -0.034 18.922 19.000 -0.073 0.000 0.862 84 A HN 0.392 nan 8.150 nan 0.000 0.461 85 I N 1.731 122.287 120.570 -0.023 0.000 2.312 85 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 85 I C -0.112 176.027 176.117 0.037 0.000 1.031 85 I CA -0.515 60.787 61.300 0.003 0.000 1.293 85 I CB 1.030 39.026 38.000 -0.007 0.000 1.403 85 I HN 0.126 nan 8.210 nan 0.000 0.484 86 R N 7.011 127.539 120.500 0.047 0.000 2.531 86 R HA 0.364 4.704 4.340 -0.000 0.000 0.273 86 R C -2.448 173.898 176.300 0.078 0.000 1.070 86 R CA -1.592 54.560 56.100 0.086 0.000 1.112 86 R CB -0.085 30.257 30.300 0.070 0.000 1.049 86 R HN 0.273 nan 8.270 nan 0.000 0.508 87 P HA 0.011 nan 4.420 nan 0.000 0.260 87 P C 0.438 177.752 177.300 0.023 0.000 1.185 87 P CA 1.247 64.367 63.100 0.032 0.000 0.763 87 P CB 0.610 32.306 31.700 -0.006 0.000 0.776 88 G N 3.202 112.008 108.800 0.010 0.000 2.604 88 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.205 88 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.205 88 G C -0.191 174.722 174.900 0.022 0.000 1.186 88 G CA -0.412 44.695 45.100 0.012 0.000 0.753 88 G HN 0.497 nan 8.290 nan 0.000 0.526 89 D N 2.724 123.142 120.400 0.030 0.000 2.730 89 D HA 0.156 4.796 4.640 -0.000 0.000 0.225 89 D C 0.897 177.225 176.300 0.048 0.000 1.107 89 D CA 0.895 54.918 54.000 0.038 0.000 0.837 89 D CB 0.493 41.314 40.800 0.034 0.000 1.171 89 D HN 0.507 nan 8.370 nan 0.000 0.498 90 K N 0.598 121.042 120.400 0.073 0.000 2.258 90 K HA 0.432 4.752 4.320 -0.000 0.000 0.264 90 K C -0.280 176.391 176.600 0.118 0.000 1.007 90 K CA -0.469 55.896 56.287 0.130 0.000 0.941 90 K CB 1.225 33.832 32.500 0.178 0.000 0.966 90 K HN 0.109 nan 8.250 nan 0.000 0.480 91 V N 2.817 122.831 119.914 0.166 0.000 2.932 91 V HA 0.297 4.417 4.120 -0.000 0.000 0.307 91 V C -1.600 174.589 176.094 0.157 0.000 1.147 91 V CA -0.974 61.396 62.300 0.117 0.000 0.951 91 V CB 2.143 34.002 31.823 0.060 0.000 1.031 91 V HN 0.520 nan 8.190 nan 0.000 0.426 92 L N 5.789 127.075 121.223 0.104 0.000 2.356 92 L HA 0.805 5.145 4.340 -0.000 0.000 0.277 92 L C -0.982 175.919 176.870 0.051 0.000 0.996 92 L CA -0.103 54.784 54.840 0.079 0.000 0.822 92 L CB 1.902 43.971 42.059 0.017 0.000 1.256 92 L HN 0.416 nan 8.230 nan 0.000 0.413 93 V N 6.478 126.414 119.914 0.036 0.000 2.349 93 V HA 0.426 4.546 4.120 -0.000 0.000 0.284 93 V C -2.272 173.800 176.094 -0.036 0.000 1.014 93 V CA -1.361 60.954 62.300 0.025 0.000 0.826 93 V CB 1.409 33.260 31.823 0.046 0.000 1.009 93 V HN 0.685 nan 8.190 nan 0.000 0.431 94 P HA 0.169 nan 4.420 nan 0.000 0.268 94 P C -0.195 177.157 177.300 0.087 0.000 1.485 94 P CA 0.044 62.886 63.100 -0.430 0.000 1.102 94 P CB 0.432 31.514 31.700 -1.030 0.000 1.501 95 V N 5.128 125.187 119.914 0.241 0.000 2.508 95 V HA 0.139 4.259 4.120 -0.000 0.000 0.281 95 V C 0.989 177.410 176.094 0.545 0.000 1.041 95 V CA 0.385 62.838 62.300 0.256 0.000 1.016 95 V CB -0.404 31.407 31.823 -0.020 0.000 0.984 95 V HN 0.542 nan 8.190 nan 0.000 0.478 96 F N 1.680 121.709 119.950 0.132 0.000 2.899 96 F HA 0.806 5.333 4.527 -0.000 0.000 0.337 96 F C 0.495 176.063 175.800 -0.387 0.000 1.129 96 F CA 0.101 58.094 58.000 -0.010 0.000 1.128 96 F CB 0.366 39.378 39.000 0.021 0.000 1.154 96 F HN 0.625 nan 8.300 nan 0.000 0.531 97 G N 0.645 108.992 108.800 -0.755 0.000 2.490 97 G HA2 0.166 4.126 3.960 -0.000 0.000 0.308 97 G HA3 0.166 4.126 3.960 -0.000 0.000 0.308 97 G C -0.284 174.324 174.900 -0.487 0.000 1.286 97 G CA -0.482 43.869 45.100 -1.248 0.000 0.825 97 G HN 0.003 nan 8.290 nan 0.000 0.479 98 R N -0.703 119.520 120.500 -0.462 0.000 2.091 98 R HA -0.011 4.329 4.340 -0.000 0.000 0.238 98 R C 1.926 178.123 176.300 -0.172 0.000 1.136 98 R CA 1.802 57.863 56.100 -0.065 0.000 0.959 98 R CB -0.582 29.576 30.300 -0.237 0.000 0.856 98 R HN 0.423 nan 8.270 nan 0.000 0.437 99 F N -0.145 119.744 119.950 -0.101 0.000 2.661 99 F HA 0.153 4.680 4.527 -0.000 0.000 0.298 99 F C 2.324 178.071 175.800 -0.089 0.000 1.137 99 F CA 0.826 58.781 58.000 -0.075 0.000 1.454 99 F CB -0.426 38.515 39.000 -0.099 0.000 1.103 99 F HN 0.175 nan 8.300 nan 0.000 0.577 100 G N -0.694 108.072 108.800 -0.058 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 1.570 176.426 174.900 -0.073 0.000 1.150 100 G CA 0.568 45.616 45.100 -0.086 0.000 0.776 100 G HN 0.351 nan 8.290 nan 0.000 0.542 101 H N -0.331 118.763 119.070 0.039 0.000 2.389 101 H HA -0.012 4.544 4.556 -0.000 0.000 0.299 101 H C 2.525 177.871 175.328 0.030 0.000 1.081 101 H CA 1.243 57.317 56.048 0.044 0.000 1.345 101 H CB -0.209 29.579 29.762 0.044 0.000 1.393 101 H HN 0.319 nan 8.280 nan 0.000 0.520 102 L N 1.107 122.414 121.223 0.140 0.000 2.046 102 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 102 L C 2.292 179.223 176.870 0.103 0.000 1.077 102 L CA 1.248 56.156 54.840 0.114 0.000 0.747 102 L CB -0.783 41.378 42.059 0.169 0.000 0.896 102 L HN 0.114 nan 8.230 nan 0.000 0.432 103 L N -1.439 119.852 121.223 0.113 0.000 2.083 103 L HA -0.296 4.044 4.340 -0.000 0.000 0.209 103 L C 2.623 179.525 176.870 0.055 0.000 1.083 103 L CA 1.455 56.348 54.840 0.089 0.000 0.752 103 L CB -0.806 41.327 42.059 0.123 0.000 0.899 103 L HN 0.431 nan 8.230 nan 0.000 0.433 104 C N -0.437 118.897 119.300 0.057 0.000 2.413 104 C HA -0.143 4.317 4.460 -0.000 0.000 0.276 104 C C 2.752 177.763 174.990 0.034 0.000 1.236 104 C CA 0.523 59.567 59.018 0.044 0.000 1.735 104 C CB -0.686 27.089 27.740 0.058 0.000 2.031 104 C HN 0.490 nan 8.230 nan 0.000 0.474 105 E N 0.565 120.792 120.200 0.045 0.000 2.072 105 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 105 E C 2.030 178.638 176.600 0.013 0.000 0.985 105 E CA 1.080 57.498 56.400 0.029 0.000 0.801 105 E CB -0.313 29.408 29.700 0.034 0.000 0.750 105 E HN 0.659 nan 8.360 nan 0.000 0.452 106 I N 1.112 121.688 120.570 0.010 0.000 2.163 106 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 106 I C 2.540 178.642 176.117 -0.024 0.000 1.085 106 I CA 1.192 62.483 61.300 -0.015 0.000 1.347 106 I CB -0.353 37.623 38.000 -0.039 0.000 1.044 106 I HN 0.004 nan 8.210 nan 0.000 0.408 107 A N 0.759 123.566 122.820 -0.021 0.000 1.933 107 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 107 A C 2.402 179.977 177.584 -0.016 0.000 1.175 107 A CA 1.841 53.864 52.037 -0.022 0.000 0.628 107 A CB -0.649 18.342 19.000 -0.014 0.000 0.814 107 A HN 0.402 nan 8.150 nan 0.000 0.444 108 R N -0.385 120.108 120.500 -0.011 0.000 2.081 108 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 108 R C 2.089 178.380 176.300 -0.015 0.000 1.131 108 R CA 1.514 57.605 56.100 -0.014 0.000 0.960 108 R CB -0.212 30.083 30.300 -0.008 0.000 0.856 108 R HN 0.393 nan 8.270 nan 0.000 0.436 109 R N -0.218 120.277 120.500 -0.008 0.000 2.189 109 R HA -0.035 4.305 4.340 -0.000 0.000 0.218 109 R C 1.969 178.268 176.300 -0.001 0.000 1.074 109 R CA 0.992 57.090 56.100 -0.003 0.000 0.991 109 R CB -0.463 29.844 30.300 0.011 0.000 0.883 109 R HN 0.336 nan 8.270 nan 0.000 0.457 110 C N 0.294 119.593 119.300 -0.002 0.000 2.539 110 C HA 0.195 4.655 4.460 -0.000 0.000 0.271 110 C C 0.827 175.816 174.990 -0.003 0.000 1.412 110 C CA -0.304 58.720 59.018 0.010 0.000 1.729 110 C CB -1.124 26.617 27.740 0.001 0.000 1.739 110 C HN 0.538 nan 8.230 nan 0.000 0.570 111 R N -0.900 119.586 120.500 -0.024 0.000 3.418 111 R HA -0.169 4.171 4.340 -0.000 0.000 0.274 111 R C -0.023 176.264 176.300 -0.023 0.000 1.108 111 R CA 0.441 56.519 56.100 -0.037 0.000 0.741 111 R CB -1.820 28.437 30.300 -0.071 0.000 1.223 111 R HN 0.593 nan 8.270 nan 0.000 0.434 112 A N 0.849 123.658 122.820 -0.019 0.000 2.312 112 A HA 0.410 4.730 4.320 -0.000 0.000 0.328 112 A C 0.076 177.638 177.584 -0.036 0.000 1.158 112 A CA -0.531 51.497 52.037 -0.015 0.000 0.821 112 A CB 0.944 19.940 19.000 -0.007 0.000 1.170 112 A HN 0.301 nan 8.150 nan 0.000 0.490 113 E N 1.513 121.688 120.200 -0.042 0.000 2.180 113 E HA 0.400 4.750 4.350 -0.000 0.000 0.283 113 E C -1.161 175.335 176.600 -0.173 0.000 1.061 113 E CA -0.215 56.119 56.400 -0.110 0.000 0.861 113 E CB 0.521 30.166 29.700 -0.092 0.000 1.056 113 E HN 0.374 nan 8.360 nan 0.000 0.407 114 V N 6.335 126.126 119.914 -0.206 0.000 2.370 114 V HA 0.200 4.320 4.120 -0.000 0.000 0.279 114 V C -0.042 175.889 176.094 -0.272 0.000 1.029 114 V CA -0.682 61.525 62.300 -0.154 0.000 0.870 114 V CB 1.039 32.827 31.823 -0.058 0.000 0.984 114 V HN 0.655 nan 8.190 nan 0.000 0.451 115 H N 2.886 121.959 119.070 0.006 0.000 2.463 115 H HA 0.634 5.190 4.556 -0.000 0.000 0.332 115 H C 0.107 175.436 175.328 0.002 0.000 1.127 115 H CA -0.293 55.757 56.048 0.003 0.000 1.238 115 H CB 2.259 32.016 29.762 -0.007 0.000 1.478 115 H HN 0.737 nan 8.280 nan 0.000 0.499 116 T N 0.462 115.089 114.554 0.120 0.000 2.900 116 T HA 0.681 5.031 4.350 -0.000 0.000 0.295 116 T C 0.024 174.773 174.700 0.080 0.000 1.044 116 T CA -0.929 61.217 62.100 0.077 0.000 0.995 116 T CB 1.348 70.257 68.868 0.068 0.000 1.072 116 T HN 0.553 nan 8.240 nan 0.000 0.473 117 I N -1.078 119.533 120.570 0.067 0.000 2.846 117 I HA 0.808 4.978 4.170 -0.000 0.000 0.307 117 I C -0.831 175.480 176.117 0.323 0.000 1.053 117 I CA -1.201 60.186 61.300 0.144 0.000 1.050 117 I CB 2.406 40.459 38.000 0.089 0.000 1.239 117 I HN 0.634 nan 8.210 nan 0.000 0.439 118 E N 3.259 123.685 120.200 0.376 0.000 2.256 118 E HA 0.563 4.913 4.350 -0.000 0.000 0.268 118 E C -1.275 175.440 176.600 0.192 0.000 0.877 118 E CA -0.905 55.709 56.400 0.357 0.000 0.757 118 E CB 3.268 33.106 29.700 0.230 0.000 1.183 118 E HN 0.618 nan 8.360 nan 0.000 0.418 119 V N -0.524 119.389 119.914 -0.002 0.000 2.815 119 V HA 0.659 4.779 4.120 -0.000 0.000 0.314 119 V C -2.522 173.615 176.094 0.071 0.000 1.064 119 V CA -2.471 59.729 62.300 -0.166 0.000 0.952 119 V CB 1.399 32.861 31.823 -0.602 0.000 1.020 119 V HN 0.505 nan 8.190 nan 0.000 0.439 120 P HA 0.204 nan 4.420 nan 0.000 0.275 120 P C -1.115 176.400 177.300 0.358 0.000 1.228 120 P CA -0.125 63.117 63.100 0.237 0.000 0.786 120 P CB 0.349 32.132 31.700 0.138 0.000 0.927 121 W N 1.427 122.819 121.300 0.154 0.000 2.322 121 W HA 0.387 5.047 4.660 -0.000 0.000 0.328 121 W C 1.086 177.778 176.519 0.288 0.000 1.395 121 W CA 0.211 57.715 57.345 0.264 0.000 1.267 121 W CB -0.394 29.260 29.460 0.324 0.000 1.259 121 W HN 0.409 nan 8.180 nan 0.000 0.560 122 G N 3.258 112.163 108.800 0.176 0.000 3.039 122 G HA2 0.508 4.468 3.960 -0.000 0.000 0.329 122 G HA3 0.508 4.468 3.960 -0.000 0.000 0.329 122 G C -0.493 174.381 174.900 -0.043 0.000 1.361 122 G CA -0.529 44.629 45.100 0.096 0.000 1.088 122 G HN 0.431 nan 8.290 nan 0.000 0.501 123 E N 0.375 120.575 120.200 0.001 0.000 2.450 123 E HA 0.719 5.069 4.350 -0.000 0.000 0.248 123 E C -1.062 175.416 176.600 -0.203 0.000 0.930 123 E CA -0.957 55.381 56.400 -0.103 0.000 0.854 123 E CB 2.904 32.526 29.700 -0.129 0.000 1.355 123 E HN 0.213 nan 8.360 nan 0.000 0.402 124 V N 0.849 120.545 119.914 -0.363 0.000 3.078 124 V HA 0.370 4.490 4.120 -0.000 0.000 0.311 124 V C -1.552 174.210 176.094 -0.553 0.000 1.138 124 V CA -0.682 61.297 62.300 -0.536 0.000 1.007 124 V CB 1.619 33.097 31.823 -0.575 0.000 1.045 124 V HN 0.456 nan 8.190 nan 0.000 0.432 125 F N 2.004 121.723 119.950 -0.385 0.000 2.412 125 F HA 0.427 4.954 4.527 -0.000 0.000 0.348 125 F C 1.046 176.703 175.800 -0.238 0.000 1.102 125 F CA 0.055 57.902 58.000 -0.254 0.000 1.196 125 F CB 1.243 40.111 39.000 -0.220 0.000 1.144 125 F HN 0.369 nan 8.300 nan 0.000 0.541 126 T N 5.207 119.766 114.554 0.007 0.000 2.910 126 T HA 0.107 4.457 4.350 -0.000 0.000 0.293 126 T C -1.564 173.129 174.700 -0.012 0.000 1.015 126 T CA -1.035 61.047 62.100 -0.030 0.000 1.094 126 T CB 1.259 70.111 68.868 -0.027 0.000 0.968 126 T HN 0.337 nan 8.240 nan 0.000 0.521 127 P HA -0.125 nan 4.420 nan 0.000 0.217 127 P C 0.984 178.258 177.300 -0.043 0.000 1.151 127 P CA 1.026 64.088 63.100 -0.064 0.000 0.849 127 P CB 0.170 31.826 31.700 -0.074 0.000 0.787 128 D N -1.144 119.241 120.400 -0.024 0.000 2.117 128 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 128 D C 2.101 178.394 176.300 -0.011 0.000 0.982 128 D CA 1.040 55.030 54.000 -0.016 0.000 0.828 128 D CB -0.519 40.275 40.800 -0.010 0.000 0.967 128 D HN 0.276 nan 8.370 nan 0.000 0.464 129 Q N 0.003 119.813 119.800 0.016 0.000 2.096 129 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 129 Q C 2.375 178.377 176.000 0.002 0.000 0.982 129 Q CA 1.494 57.329 55.803 0.052 0.000 0.850 129 Q CB -0.035 28.804 28.738 0.169 0.000 0.901 129 Q HN 0.338 nan 8.270 nan 0.000 0.422 130 V N -1.551 118.336 119.914 -0.045 0.000 2.719 130 V HA -0.146 3.974 4.120 -0.000 0.000 0.252 130 V C 1.842 177.865 176.094 -0.118 0.000 1.065 130 V CA 1.920 64.141 62.300 -0.130 0.000 1.086 130 V CB -0.230 31.474 31.823 -0.198 0.000 0.700 130 V HN 0.309 nan 8.190 nan 0.000 0.467 131 E N 0.328 120.475 120.200 -0.087 0.000 2.072 131 E HA -0.244 4.106 4.350 -0.000 0.000 0.191 131 E C 1.830 178.338 176.600 -0.153 0.000 0.985 131 E CA 1.642 57.987 56.400 -0.091 0.000 0.801 131 E CB -0.114 29.579 29.700 -0.013 0.000 0.750 131 E HN 0.671 nan 8.360 nan 0.000 0.452 132 D N 0.167 120.505 120.400 -0.104 0.000 2.178 132 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 132 D C 1.706 177.933 176.300 -0.122 0.000 0.980 132 D CA 1.258 55.195 54.000 -0.105 0.000 0.842 132 D CB -0.223 40.544 40.800 -0.056 0.000 0.948 132 D HN 0.303 nan 8.370 nan 0.000 0.472 133 A N 0.233 122.985 122.820 -0.113 0.000 1.898 133 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 133 A C 2.468 179.953 177.584 -0.165 0.000 1.181 133 A CA 0.975 52.941 52.037 -0.119 0.000 0.620 133 A CB -0.692 18.245 19.000 -0.106 0.000 0.819 133 A HN 0.131 nan 8.150 nan 0.000 0.442 134 V N 0.266 120.066 119.914 -0.190 0.000 2.261 134 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 134 V C 2.464 178.372 176.094 -0.311 0.000 1.047 134 V CA 2.451 64.616 62.300 -0.225 0.000 1.015 134 V CB -0.720 30.979 31.823 -0.207 0.000 0.642 134 V HN 0.559 nan 8.190 nan 0.000 0.446 135 K N -0.453 119.698 120.400 -0.415 0.000 2.074 135 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 135 K C 2.390 178.848 176.600 -0.236 0.000 1.048 135 K CA 1.811 57.856 56.287 -0.403 0.000 0.926 135 K CB -0.260 32.025 32.500 -0.358 0.000 0.713 135 K HN 0.356 nan 8.250 nan 0.000 0.444 136 R N 0.434 120.818 120.500 -0.194 0.000 2.062 136 R HA -0.039 4.301 4.340 -0.000 0.000 0.231 136 R C 2.375 178.573 176.300 -0.170 0.000 1.136 136 R CA 1.535 57.545 56.100 -0.150 0.000 0.948 136 R CB -0.145 30.083 30.300 -0.121 0.000 0.845 136 R HN 0.304 nan 8.270 nan 0.000 0.430 137 I N -1.900 118.533 120.570 -0.229 0.000 3.854 137 I HA 0.185 4.355 4.170 -0.000 0.000 0.312 137 I C -0.346 175.618 176.117 -0.255 0.000 1.273 137 I CA 0.277 61.376 61.300 -0.336 0.000 1.298 137 I CB -0.000 37.578 38.000 -0.702 0.000 1.071 137 I HN 0.033 nan 8.210 nan 0.000 0.428 138 R N 1.720 122.108 120.500 -0.186 0.000 2.992 138 R HA -0.078 4.262 4.340 -0.000 0.000 0.263 138 R C -2.529 173.726 176.300 -0.074 0.000 0.902 138 R CA 0.495 56.528 56.100 -0.113 0.000 0.667 138 R CB -1.850 28.404 30.300 -0.077 0.000 1.504 138 R HN 0.435 nan 8.270 nan 0.000 0.489 139 P HA 0.141 nan 4.420 nan 0.000 0.279 139 P C -0.014 177.301 177.300 0.024 0.000 1.252 139 P CA -0.485 62.614 63.100 -0.002 0.000 0.811 139 P CB 0.992 32.698 31.700 0.011 0.000 1.035 140 R N 0.672 121.197 120.500 0.042 0.000 2.093 140 R HA 0.116 4.456 4.340 -0.000 0.000 0.224 140 R C 0.218 176.552 176.300 0.057 0.000 1.101 140 R CA 0.878 57.005 56.100 0.044 0.000 0.979 140 R CB 0.079 30.403 30.300 0.040 0.000 0.877 140 R HN 0.389 nan 8.270 nan 0.000 0.441 141 L N 1.671 122.933 121.223 0.065 0.000 2.386 141 L HA 0.382 4.721 4.340 -0.000 0.000 0.271 141 L C -1.112 175.823 176.870 0.108 0.000 0.993 141 L CA -0.987 53.907 54.840 0.090 0.000 0.819 141 L CB 1.801 43.901 42.059 0.069 0.000 1.294 141 L HN 0.067 nan 8.230 nan 0.000 0.414 142 L N 4.715 126.035 121.223 0.162 0.000 2.265 142 L HA 0.481 4.821 4.340 -0.000 0.000 0.289 142 L C -0.869 176.164 176.870 0.272 0.000 1.033 142 L CA 0.022 54.970 54.840 0.180 0.000 0.814 142 L CB 0.841 42.994 42.059 0.156 0.000 1.203 142 L HN 0.409 nan 8.230 nan 0.000 0.423 143 L N 5.649 127.000 121.223 0.214 0.000 2.295 143 L HA 0.560 4.900 4.340 -0.000 0.000 0.281 143 L C -0.006 176.997 176.870 0.221 0.000 1.018 143 L CA -0.472 54.542 54.840 0.289 0.000 0.841 143 L CB 1.311 43.504 42.059 0.224 0.000 1.218 143 L HN 0.690 nan 8.230 nan 0.000 0.424 144 T N -0.204 114.457 114.554 0.179 0.000 2.924 144 T HA 0.727 5.077 4.350 -0.000 0.000 0.291 144 T C -0.323 174.418 174.700 0.067 0.000 1.045 144 T CA -0.773 61.411 62.100 0.141 0.000 1.015 144 T CB 2.372 71.344 68.868 0.174 0.000 1.103 144 T HN 0.087 nan 8.240 nan 0.000 0.496 145 V N 2.383 122.420 119.914 0.206 0.000 2.483 145 V HA 0.365 4.485 4.120 -0.000 0.000 0.295 145 V C 1.324 177.584 176.094 0.277 0.000 1.035 145 V CA -0.571 61.822 62.300 0.154 0.000 0.896 145 V CB 1.399 33.271 31.823 0.083 0.000 0.986 145 V HN 1.095 nan 8.190 nan 0.000 0.447 146 Q N 3.128 123.009 119.800 0.135 0.000 2.107 146 Q HA 0.162 4.502 4.340 -0.000 0.000 0.195 146 Q C 0.996 177.131 176.000 0.225 0.000 0.964 146 Q CA 1.002 56.902 55.803 0.162 0.000 0.833 146 Q CB 0.312 29.108 28.738 0.098 0.000 0.910 146 Q HN 0.905 nan 8.270 nan 0.000 0.465 147 G N 1.354 110.237 108.800 0.139 0.000 2.588 147 G HA2 0.179 4.139 3.960 -0.000 0.000 0.312 147 G HA3 0.179 4.139 3.960 -0.000 0.000 0.312 147 G C -1.654 173.277 174.900 0.051 0.000 1.257 147 G CA -0.435 44.739 45.100 0.123 0.000 0.994 147 G HN 0.124 nan 8.290 nan 0.000 0.498 148 D N 2.828 123.269 120.400 0.068 0.000 2.428 148 D HA 0.142 4.782 4.640 -0.000 0.000 0.221 148 D C 1.800 178.126 176.300 0.044 0.000 1.123 148 D CA -0.347 53.620 54.000 -0.055 0.000 0.869 148 D CB 1.132 41.659 40.800 -0.456 0.000 1.032 148 D HN 0.343 nan 8.370 nan 0.000 0.506 149 T N -0.303 114.315 114.554 0.107 0.000 3.025 149 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 149 T C 1.732 176.536 174.700 0.173 0.000 1.126 149 T CA 1.042 63.230 62.100 0.146 0.000 1.105 149 T CB -0.123 68.835 68.868 0.150 0.000 0.884 149 T HN 0.295 nan 8.240 nan 0.000 0.522 150 S N 1.460 117.247 115.700 0.146 0.000 2.527 150 S HA -0.018 4.452 4.470 -0.000 0.000 0.222 150 S C 1.878 176.503 174.600 0.043 0.000 0.985 150 S CA 0.709 58.950 58.200 0.069 0.000 0.921 150 S CB -0.602 62.560 63.200 -0.064 0.000 0.772 150 S HN 0.742 nan 8.310 nan 0.000 0.529 151 T N -2.765 111.810 114.554 0.035 0.000 3.016 151 T HA 0.210 4.560 4.350 -0.000 0.000 0.271 151 T C 0.999 175.859 174.700 0.268 0.000 0.968 151 T CA 0.918 63.149 62.100 0.219 0.000 0.891 151 T CB -0.222 68.699 68.868 0.088 0.000 1.149 151 T HN 1.031 nan 8.240 nan 0.000 0.524 152 T N 0.668 115.331 114.554 0.181 0.000 6.157 152 T HA -0.181 4.169 4.350 -0.000 0.000 0.281 152 T C 0.068 174.862 174.700 0.157 0.000 2.039 152 T CA 0.792 62.991 62.100 0.166 0.000 3.312 152 T CB -2.517 66.459 68.868 0.180 0.000 1.589 152 T HN 0.425 nan 8.240 nan 0.000 1.129 153 M N 1.106 120.818 119.600 0.187 0.000 2.277 153 M HA 0.583 5.063 4.480 -0.000 0.000 0.350 153 M C 0.259 176.720 176.300 0.269 0.000 1.180 153 M CA -1.494 53.939 55.300 0.221 0.000 1.103 153 M CB 1.361 34.124 32.600 0.272 0.000 1.577 153 M HN 0.346 nan 8.290 nan 0.000 0.459 154 L N 3.728 125.061 121.223 0.183 0.000 2.280 154 L HA 0.338 4.678 4.340 -0.000 0.000 0.287 154 L C -0.504 176.386 176.870 0.032 0.000 1.023 154 L CA -0.476 54.454 54.840 0.150 0.000 0.819 154 L CB 1.393 43.532 42.059 0.134 0.000 1.212 154 L HN 0.749 nan 8.230 nan 0.000 0.420 155 Q N 7.531 127.312 119.800 -0.032 0.000 2.293 155 Q HA 0.335 4.675 4.340 -0.000 0.000 0.263 155 Q C -2.369 173.565 176.000 -0.110 0.000 1.002 155 Q CA -1.304 54.360 55.803 -0.232 0.000 0.910 155 Q CB 1.008 29.532 28.738 -0.356 0.000 1.185 155 Q HN 0.339 nan 8.270 nan 0.000 0.401 156 P HA -0.004 nan 4.420 nan 0.000 0.271 156 P C -0.613 176.556 177.300 -0.217 0.000 1.226 156 P CA 0.002 63.001 63.100 -0.168 0.000 0.765 156 P CB 0.726 32.339 31.700 -0.144 0.000 0.835 157 L N 3.022 124.023 121.223 -0.368 0.000 2.781 157 L HA 0.250 4.590 4.340 -0.000 0.000 0.245 157 L C 2.098 178.650 176.870 -0.531 0.000 1.118 157 L CA 0.713 55.397 54.840 -0.261 0.000 0.918 157 L CB -1.200 40.862 42.059 0.006 0.000 1.246 157 L HN 0.304 nan 8.230 nan 0.000 0.526 158 A N -0.174 122.017 122.820 -1.048 0.000 1.908 158 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 158 A C 2.158 179.477 177.584 -0.442 0.000 1.181 158 A CA 2.033 53.388 52.037 -1.138 0.000 0.627 158 A CB -0.254 18.197 19.000 -0.915 0.000 0.818 158 A HN 0.467 nan 8.150 nan 0.000 0.445 159 E N -0.993 119.019 120.200 -0.314 0.000 2.318 159 E HA 0.045 4.395 4.350 -0.000 0.000 0.193 159 E C 1.605 178.083 176.600 -0.204 0.000 0.998 159 E CA 0.190 56.472 56.400 -0.195 0.000 0.859 159 E CB -0.057 29.552 29.700 -0.152 0.000 0.812 159 E HN 0.431 nan 8.360 nan 0.000 0.492 160 L N 0.317 121.378 121.223 -0.271 0.000 2.191 160 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 160 L C 2.279 178.794 176.870 -0.591 0.000 1.103 160 L CA 1.631 56.219 54.840 -0.421 0.000 0.769 160 L CB -0.833 40.926 42.059 -0.500 0.000 0.908 160 L HN 0.175 nan 8.230 nan 0.000 0.438 161 G N -1.336 107.234 108.800 -0.384 0.000 2.421 161 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 161 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 161 G C 1.587 176.414 174.900 -0.122 0.000 1.171 161 G CA 0.342 45.339 45.100 -0.173 0.000 0.775 161 G HN 0.303 nan 8.290 nan 0.000 0.543 162 E N 0.219 120.357 120.200 -0.103 0.000 2.150 162 E HA -0.031 4.319 4.350 -0.000 0.000 0.193 162 E C 2.616 179.138 176.600 -0.131 0.000 0.985 162 E CA 0.345 56.690 56.400 -0.092 0.000 0.814 162 E CB -0.099 29.558 29.700 -0.072 0.000 0.752 162 E HN 0.531 nan 8.360 nan 0.000 0.466 163 I N -0.000 120.481 120.570 -0.148 0.000 2.226 163 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 163 I C 2.460 178.542 176.117 -0.059 0.000 1.100 163 I CA 0.738 61.984 61.300 -0.091 0.000 1.374 163 I CB -0.233 37.715 38.000 -0.088 0.000 1.057 163 I HN 0.122 nan 8.210 nan 0.000 0.413 164 C N 0.108 119.319 119.300 -0.147 0.000 2.448 164 C HA -0.065 4.395 4.460 -0.000 0.000 0.280 164 C C 2.888 177.854 174.990 -0.039 0.000 1.398 164 C CA 0.506 59.474 59.018 -0.084 0.000 1.774 164 C CB -1.195 26.450 27.740 -0.158 0.000 1.888 164 C HN 0.411 nan 8.230 nan 0.000 0.519 165 R N 0.558 121.013 120.500 -0.074 0.000 2.075 165 R HA -0.001 4.339 4.340 -0.000 0.000 0.226 165 R C 2.466 178.690 176.300 -0.126 0.000 1.114 165 R CA 0.879 56.941 56.100 -0.064 0.000 0.972 165 R CB -0.135 30.134 30.300 -0.051 0.000 0.869 165 R HN 0.497 nan 8.270 nan 0.000 0.437 166 R N -0.756 119.593 120.500 -0.251 0.000 2.081 166 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 166 R C 1.117 177.129 176.300 -0.480 0.000 1.131 166 R CA 1.443 57.271 56.100 -0.454 0.000 0.960 166 R CB -0.086 29.754 30.300 -0.767 0.000 0.856 166 R HN 0.306 nan 8.270 nan 0.000 0.436 167 Y N -0.081 120.195 120.300 -0.040 0.000 2.524 167 Y HA 0.143 4.693 4.550 -0.000 0.000 0.266 167 Y C -0.082 175.802 175.900 -0.026 0.000 1.180 167 Y CA -0.761 57.318 58.100 -0.036 0.000 1.244 167 Y CB 0.045 38.476 38.460 -0.048 0.000 1.125 167 Y HN 0.016 nan 8.280 nan 0.000 0.524 168 D N 0.728 121.160 120.400 0.053 0.000 2.699 168 D HA -0.159 4.481 4.640 -0.000 0.000 0.239 168 D C -0.273 176.063 176.300 0.059 0.000 1.136 168 D CA 0.730 54.755 54.000 0.042 0.000 0.668 168 D CB -0.853 39.968 40.800 0.035 0.000 1.060 168 D HN 0.380 nan 8.370 nan 0.000 0.429 169 A N 0.614 123.473 122.820 0.066 0.000 2.337 169 A HA 0.714 5.034 4.320 -0.000 0.000 0.329 169 A C 0.175 177.817 177.584 0.096 0.000 1.146 169 A CA -0.662 51.418 52.037 0.071 0.000 0.800 169 A CB 0.985 20.023 19.000 0.063 0.000 1.220 169 A HN 0.234 nan 8.150 nan 0.000 0.472 170 L N 2.129 123.417 121.223 0.109 0.000 2.360 170 L HA 0.230 4.570 4.340 -0.000 0.000 0.276 170 L C -0.524 176.494 176.870 0.246 0.000 1.121 170 L CA 0.019 54.947 54.840 0.146 0.000 0.845 170 L CB 0.296 42.414 42.059 0.100 0.000 1.143 170 L HN 0.674 nan 8.230 nan 0.000 0.452 171 F N 5.265 125.256 119.950 0.068 0.000 2.361 171 F HA 0.333 4.860 4.527 0.000 0.000 0.364 171 F C -0.619 175.250 175.800 0.115 0.000 1.117 171 F CA -1.155 56.891 58.000 0.076 0.000 1.071 171 F CB 0.520 39.551 39.000 0.051 0.000 1.188 171 F HN 0.266 nan 8.300 nan 0.000 0.464 172 Y N 4.705 124.955 120.300 -0.085 0.000 2.393 172 Y HA 0.588 5.138 4.550 -0.000 0.000 0.341 172 Y C -0.866 174.845 175.900 -0.314 0.000 0.988 172 Y CA -0.444 57.522 58.100 -0.224 0.000 1.078 172 Y CB 1.705 40.112 38.460 -0.087 0.000 1.203 172 Y HN 0.581 nan 8.280 nan 0.000 0.453 173 T N 4.539 118.355 114.554 -1.230 0.000 2.876 173 T HA 0.206 4.556 4.350 -0.000 0.000 0.289 173 T C -1.800 172.218 174.700 -1.138 0.000 1.014 173 T CA -0.696 60.794 62.100 -1.018 0.000 0.986 173 T CB 0.868 69.409 68.868 -0.546 0.000 1.021 173 T HN 0.722 nan 8.240 nan 0.000 0.458 174 D N 3.217 123.224 120.400 -0.655 0.000 2.485 174 D HA 0.489 5.129 4.640 -0.000 0.000 0.221 174 D C 0.245 176.450 176.300 -0.157 0.000 1.112 174 D CA -0.585 53.240 54.000 -0.292 0.000 0.911 174 D CB 0.555 41.315 40.800 -0.067 0.000 1.019 174 D HN 0.555 nan 8.370 nan 0.000 0.516 175 A N 3.101 125.855 122.820 -0.110 0.000 2.610 175 A HA 0.133 4.453 4.320 -0.000 0.000 0.286 175 A C 1.781 179.349 177.584 -0.027 0.000 1.306 175 A CA 0.223 52.236 52.037 -0.039 0.000 0.942 175 A CB -0.472 18.535 19.000 0.012 0.000 1.112 175 A HN 0.551 nan 8.150 nan 0.000 0.527 176 T N -2.549 111.967 114.554 -0.064 0.000 2.746 176 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 176 T C 1.778 176.433 174.700 -0.074 0.000 1.039 176 T CA 1.778 63.839 62.100 -0.065 0.000 1.142 176 T CB -0.338 68.470 68.868 -0.101 0.000 0.866 176 T HN 0.568 nan 8.240 nan 0.000 0.444 177 A N 1.062 123.818 122.820 -0.106 0.000 2.119 177 A HA 0.230 4.550 4.320 -0.000 0.000 0.216 177 A C 2.525 180.082 177.584 -0.044 0.000 1.152 177 A CA 1.406 53.397 52.037 -0.077 0.000 0.708 177 A CB -0.459 18.481 19.000 -0.100 0.000 0.805 177 A HN 0.771 nan 8.150 nan 0.000 0.460 178 S N -1.532 114.144 115.700 -0.040 0.000 2.539 178 S HA 0.258 4.728 4.470 -0.000 0.000 0.226 178 S C 0.380 174.943 174.600 -0.061 0.000 1.054 178 S CA -0.277 57.904 58.200 -0.031 0.000 0.910 178 S CB -0.595 62.616 63.200 0.018 0.000 0.818 178 S HN 0.289 nan 8.310 nan 0.000 0.490 179 L N 3.470 124.660 121.223 -0.054 0.000 2.584 179 L HA 0.478 4.818 4.340 -0.000 0.000 0.272 179 L C 1.284 178.081 176.870 -0.122 0.000 1.195 179 L CA 1.812 56.604 54.840 -0.080 0.000 0.920 179 L CB -0.202 41.808 42.059 -0.082 0.000 1.173 179 L HN 0.616 nan 8.230 nan 0.000 0.489 180 G N 2.839 111.557 108.800 -0.136 0.000 2.241 180 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 180 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 180 G C 0.783 175.517 174.900 -0.278 0.000 0.998 180 G CA 0.325 45.339 45.100 -0.143 0.000 0.621 180 G HN 1.253 nan 8.290 nan 0.000 0.519 181 G N -0.687 107.878 108.800 -0.392 0.000 2.781 181 G HA2 0.403 4.363 3.960 -0.000 0.000 0.208 181 G HA3 0.403 4.363 3.960 -0.000 0.000 0.208 181 G C 0.339 175.120 174.900 -0.199 0.000 1.099 181 G CA 0.646 45.353 45.100 -0.656 0.000 0.776 181 G HN 0.511 nan 8.290 nan 0.000 0.532 182 N N 0.248 118.892 118.700 -0.094 0.000 2.357 182 N HA 0.353 5.093 4.740 -0.000 0.000 0.284 182 N C -3.199 172.326 175.510 0.024 0.000 1.236 182 N CA -1.123 51.932 53.050 0.009 0.000 0.774 182 N CB 2.597 41.114 38.487 0.050 0.000 1.534 182 N HN -0.207 nan 8.380 nan 0.000 0.478 183 P HA 0.143 nan 4.420 nan 0.000 0.266 183 P C -0.805 176.477 177.300 -0.031 0.000 1.195 183 P CA -0.028 63.094 63.100 0.036 0.000 0.768 183 P CB 0.512 32.311 31.700 0.164 0.000 0.838 184 L N 2.277 123.299 121.223 -0.334 0.000 2.666 184 L HA 0.239 4.579 4.340 -0.000 0.000 0.258 184 L C -0.989 175.460 176.870 -0.702 0.000 0.991 184 L CA -0.022 54.497 54.840 -0.536 0.000 0.916 184 L CB 1.141 43.125 42.059 -0.124 0.000 1.199 184 L HN 0.150 nan 8.230 nan 0.000 0.439 185 E N 3.292 122.660 120.200 -1.386 0.000 1.986 185 E HA 0.255 4.605 4.350 -0.000 0.000 0.264 185 E C 0.710 176.986 176.600 -0.541 0.000 1.023 185 E CA -0.171 55.684 56.400 -0.908 0.000 0.834 185 E CB 1.133 30.213 29.700 -1.034 0.000 1.111 185 E HN 0.613 nan 8.360 nan 0.000 0.417 186 T N 1.762 116.174 114.554 -0.237 0.000 2.684 186 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 186 T C 0.949 175.639 174.700 -0.017 0.000 1.036 186 T CA 1.532 63.583 62.100 -0.082 0.000 1.148 186 T CB 0.103 68.937 68.868 -0.057 0.000 0.863 186 T HN 0.276 nan 8.240 nan 0.000 0.436 187 D N 0.760 121.140 120.400 -0.035 0.000 2.120 187 D HA 0.072 4.712 4.640 -0.000 0.000 0.202 187 D C 2.420 178.749 176.300 0.049 0.000 0.972 187 D CA 1.103 55.108 54.000 0.009 0.000 0.837 187 D CB -0.777 40.018 40.800 -0.007 0.000 0.989 187 D HN 0.375 nan 8.370 nan 0.000 0.469 188 V N 0.171 120.092 119.914 0.011 0.000 2.490 188 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 188 V C 1.697 177.974 176.094 0.305 0.000 1.061 188 V CA 1.478 63.833 62.300 0.092 0.000 1.064 188 V CB -0.680 31.157 31.823 0.023 0.000 0.670 188 V HN 0.146 nan 8.190 nan 0.000 0.461 189 W N 0.264 121.602 121.300 0.063 0.000 3.256 189 W HA 0.482 5.142 4.660 0.000 0.000 0.269 189 W C 1.539 178.155 176.519 0.162 0.000 1.310 189 W CA -0.093 57.316 57.345 0.107 0.000 1.673 189 W CB -0.855 28.680 29.460 0.124 0.000 1.115 189 W HN 0.607 nan 8.180 nan 0.000 0.686 190 G N 1.437 110.422 108.800 0.308 0.000 2.246 190 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.273 190 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.273 190 G C -0.077 175.008 174.900 0.308 0.000 1.055 190 G CA -0.245 45.000 45.100 0.242 0.000 0.851 190 G HN 0.173 nan 8.290 nan 0.000 0.500 191 L N -0.247 121.107 121.223 0.218 0.000 2.395 191 L HA 0.373 4.713 4.340 -0.000 0.000 0.269 191 L C 1.219 178.111 176.870 0.036 0.000 1.133 191 L CA -0.497 54.380 54.840 0.060 0.000 0.812 191 L CB 0.727 42.705 42.059 -0.136 0.000 1.125 191 L HN 0.113 nan 8.230 nan 0.000 0.452 192 D N 1.401 121.819 120.400 0.030 0.000 2.323 192 D HA 0.190 4.830 4.640 -0.000 0.000 0.218 192 D C 0.096 176.392 176.300 -0.006 0.000 0.973 192 D CA 0.569 54.592 54.000 0.039 0.000 0.890 192 D CB 0.796 41.648 40.800 0.087 0.000 1.011 192 D HN 0.505 nan 8.370 nan 0.000 0.499 193 A N 0.741 123.553 122.820 -0.014 0.000 2.427 193 A HA 0.572 4.892 4.320 -0.000 0.000 0.298 193 A C -1.084 176.475 177.584 -0.041 0.000 1.036 193 A CA -0.492 51.554 52.037 0.014 0.000 0.701 193 A CB 1.884 20.962 19.000 0.131 0.000 1.250 193 A HN -0.100 nan 8.150 nan 0.000 0.412 194 V N 1.880 121.684 119.914 -0.183 0.000 2.638 194 V HA 0.768 4.888 4.120 -0.000 0.000 0.306 194 V C 0.086 176.066 176.094 -0.191 0.000 1.052 194 V CA -0.324 61.811 62.300 -0.275 0.000 0.885 194 V CB 1.903 33.493 31.823 -0.387 0.000 0.999 194 V HN 1.227 nan 8.190 nan 0.000 0.424 195 S N 2.867 118.561 115.700 -0.010 0.000 2.566 195 S HA 1.001 5.471 4.470 -0.000 0.000 0.298 195 S C -0.371 174.294 174.600 0.108 0.000 1.083 195 S CA -0.062 58.182 58.200 0.073 0.000 0.978 195 S CB 2.441 65.725 63.200 0.140 0.000 1.073 195 S HN 1.482 nan 8.310 nan 0.000 0.491 196 A N 1.099 123.997 122.820 0.130 0.000 2.548 196 A HA 1.063 5.383 4.320 -0.000 0.000 0.282 196 A C 0.055 177.658 177.584 0.032 0.000 1.288 196 A CA -0.593 51.499 52.037 0.091 0.000 0.748 196 A CB 0.986 20.065 19.000 0.131 0.000 1.339 196 A HN 1.819 nan 8.150 nan 0.000 0.475 197 G N -2.125 106.683 108.800 0.013 0.000 2.684 197 G HA2 0.498 4.458 3.960 -0.000 0.000 0.290 197 G HA3 0.498 4.458 3.960 -0.000 0.000 0.290 197 G C -0.034 174.880 174.900 0.023 0.000 1.425 197 G CA -0.354 44.753 45.100 0.013 0.000 0.822 197 G HN 0.366 nan 8.290 nan 0.000 0.482 198 M N -0.085 119.537 119.600 0.037 0.000 2.447 198 M HA 0.110 4.590 4.480 -0.000 0.000 0.266 198 M C 1.690 178.021 176.300 0.053 0.000 1.120 198 M CA 0.539 55.871 55.300 0.053 0.000 1.166 198 M CB -1.146 31.492 32.600 0.064 0.000 1.349 198 M HN 0.724 nan 8.290 nan 0.000 0.463 202 L N 2.005 123.263 121.223 0.057 0.000 2.044 202 L HA 0.331 4.671 4.340 -0.000 0.000 0.205 202 L C 1.685 178.599 176.870 0.073 0.000 1.075 202 L CA 2.974 57.849 54.840 0.058 0.000 0.747 202 L CB -0.872 41.222 42.059 0.058 0.000 0.903 202 L HN 0.632 nan 8.230 nan 0.000 0.435 203 G N -0.708 108.138 108.800 0.077 0.000 2.623 203 G HA2 0.250 4.210 3.960 -0.000 0.000 0.281 203 G HA3 0.250 4.210 3.960 -0.000 0.000 0.281 203 G C 0.449 175.375 174.900 0.043 0.000 1.087 203 G CA 0.191 45.336 45.100 0.075 0.000 1.244 203 G HN 0.992 nan 8.290 nan 0.000 0.544 204 G N 0.859 109.686 108.800 0.045 0.000 2.328 204 G HA2 0.421 4.381 3.960 -0.000 0.000 0.244 204 G HA3 0.421 4.381 3.960 -0.000 0.000 0.244 204 G C -2.218 172.715 174.900 0.056 0.000 1.317 204 G CA -0.012 45.123 45.100 0.058 0.000 1.261 204 G HN 0.946 nan 8.290 nan 0.000 0.648 205 P HA 0.546 nan 4.420 nan 0.000 0.296 205 P C 0.646 177.980 177.300 0.057 0.000 1.301 205 P CA -0.248 62.884 63.100 0.053 0.000 0.862 205 P CB 1.598 33.327 31.700 0.048 0.000 1.046 206 S N 0.930 116.665 115.700 0.057 0.000 2.576 206 S HA 0.425 4.895 4.470 -0.000 0.000 0.272 206 S C 1.145 175.781 174.600 0.060 0.000 1.352 206 S CA 0.749 58.984 58.200 0.058 0.000 1.021 206 S CB -0.238 62.999 63.200 0.061 0.000 0.887 206 S HN 0.930 nan 8.310 nan 0.000 0.542 207 G N 0.479 109.318 108.800 0.066 0.000 2.485 207 G HA2 0.013 3.973 3.960 -0.000 0.000 0.181 207 G HA3 0.013 3.973 3.960 -0.000 0.000 0.181 207 G C -0.010 174.942 174.900 0.086 0.000 0.999 207 G CA 0.027 45.171 45.100 0.073 0.000 0.721 207 G HN 1.036 nan 8.290 nan 0.000 0.486 208 T N 0.581 115.180 114.554 0.076 0.000 2.893 208 T HA 0.650 5.000 4.350 -0.000 0.000 0.293 208 T C -0.854 173.873 174.700 0.045 0.000 1.027 208 T CA 0.157 62.301 62.100 0.073 0.000 0.988 208 T CB 2.003 70.912 68.868 0.070 0.000 1.043 208 T HN 0.483 nan 8.240 nan 0.000 0.461 209 S N 3.467 119.187 115.700 0.033 0.000 2.733 209 S HA 0.558 5.028 4.470 -0.000 0.000 0.307 209 S C -2.827 171.740 174.600 -0.054 0.000 1.127 209 S CA -1.608 56.595 58.200 0.005 0.000 1.097 209 S CB 0.483 63.699 63.200 0.028 0.000 1.003 209 S HN 0.281 nan 8.310 nan 0.000 0.477 210 P HA 0.386 nan 4.420 nan 0.000 0.276 210 P C -0.676 176.651 177.300 0.044 0.000 1.230 210 P CA -0.322 62.671 63.100 -0.179 0.000 0.776 210 P CB 0.396 31.830 31.700 -0.443 0.000 0.888 211 I N -1.272 119.248 120.570 -0.082 0.000 2.828 211 I HA 0.811 4.981 4.170 -0.000 0.000 0.302 211 I C -0.766 175.127 176.117 -0.374 0.000 1.101 211 I CA -0.737 60.437 61.300 -0.209 0.000 1.031 211 I CB 2.768 40.666 38.000 -0.169 0.000 1.231 211 I HN 0.133 nan 8.210 nan 0.000 0.427 212 T N 5.283 119.482 114.554 -0.592 0.000 2.886 212 T HA 0.717 5.067 4.350 -0.000 0.000 0.292 212 T C -1.166 173.384 174.700 -0.250 0.000 1.012 212 T CA -0.542 61.289 62.100 -0.449 0.000 0.982 212 T CB 1.120 69.584 68.868 -0.674 0.000 1.018 212 T HN 0.593 nan 8.240 nan 0.000 0.451 213 L N 3.945 125.113 121.223 -0.092 0.000 2.362 213 L HA 0.600 4.940 4.340 -0.000 0.000 0.275 213 L C 0.727 177.619 176.870 0.037 0.000 0.998 213 L CA -1.130 53.697 54.840 -0.022 0.000 0.820 213 L CB 2.211 44.273 42.059 0.006 0.000 1.270 213 L HN 0.773 nan 8.230 nan 0.000 0.415 214 S N 1.404 117.118 115.700 0.023 0.000 2.624 214 S HA 0.403 4.873 4.470 -0.000 0.000 0.263 214 S C 1.218 175.869 174.600 0.085 0.000 1.287 214 S CA -0.008 58.219 58.200 0.044 0.000 0.990 214 S CB 1.579 64.801 63.200 0.036 0.000 0.950 214 S HN 0.722 nan 8.310 nan 0.000 0.561 215 A N 0.931 123.800 122.820 0.081 0.000 1.972 215 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 215 A C 2.334 179.963 177.584 0.075 0.000 1.169 215 A CA 1.399 53.494 52.037 0.096 0.000 0.635 215 A CB -0.767 18.274 19.000 0.068 0.000 0.810 215 A HN 0.878 nan 8.150 nan 0.000 0.446 216 R N -1.476 119.058 120.500 0.057 0.000 2.075 216 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 216 R C 2.153 178.474 176.300 0.036 0.000 1.126 216 R CA 1.359 57.486 56.100 0.045 0.000 0.963 216 R CB -0.246 30.081 30.300 0.046 0.000 0.858 216 R HN 0.423 nan 8.270 nan 0.000 0.435 217 M N 1.018 120.639 119.600 0.035 0.000 2.086 217 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 217 M C 2.058 178.351 176.300 -0.012 0.000 1.067 217 M CA 1.927 57.234 55.300 0.011 0.000 1.116 217 M CB -0.726 31.877 32.600 0.005 0.000 1.348 217 M HN 0.194 nan 8.290 nan 0.000 0.407 218 E N -0.550 119.651 120.200 0.001 0.000 2.110 218 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 218 E C 1.842 178.418 176.600 -0.041 0.000 0.988 218 E CA 1.483 57.848 56.400 -0.058 0.000 0.804 218 E CB -0.635 29.044 29.700 -0.033 0.000 0.745 218 E HN 0.541 nan 8.360 nan 0.000 0.458 219 E N 0.823 121.028 120.200 0.008 0.000 2.077 219 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 219 E C 2.076 178.672 176.600 -0.007 0.000 0.989 219 E CA 1.274 57.679 56.400 0.009 0.000 0.800 219 E CB -0.171 29.545 29.700 0.027 0.000 0.746 219 E HN 0.413 nan 8.360 nan 0.000 0.452 220 A N 0.832 123.647 122.820 -0.009 0.000 1.930 220 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 220 A C 2.130 179.695 177.584 -0.032 0.000 1.175 220 A CA 1.076 53.106 52.037 -0.013 0.000 0.627 220 A CB -0.447 18.549 19.000 -0.006 0.000 0.815 220 A HN 0.278 nan 8.150 nan 0.000 0.443 221 I N -1.539 118.999 120.570 -0.053 0.000 2.500 221 I HA -0.127 4.043 4.170 -0.000 0.000 0.252 221 I C 2.533 178.603 176.117 -0.078 0.000 1.142 221 I CA 0.853 62.107 61.300 -0.077 0.000 1.451 221 I CB -0.163 37.769 38.000 -0.113 0.000 1.093 221 I HN 0.112 nan 8.210 nan 0.000 0.430 222 R N 0.989 121.445 120.500 -0.072 0.000 2.152 222 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 222 R C 2.165 178.444 176.300 -0.035 0.000 1.117 222 R CA 1.043 57.108 56.100 -0.057 0.000 0.981 222 R CB -0.299 29.977 30.300 -0.041 0.000 0.870 222 R HN 0.266 nan 8.270 nan 0.000 0.451 223 R N -0.225 120.257 120.500 -0.029 0.000 2.237 223 R HA 0.011 4.351 4.340 -0.000 0.000 0.219 223 R C 1.120 177.404 176.300 -0.028 0.000 1.080 223 R CA 0.757 56.845 56.100 -0.020 0.000 0.995 223 R CB 0.040 30.333 30.300 -0.012 0.000 0.875 223 R HN 0.115 nan 8.270 nan 0.000 0.462 224 R N 0.857 121.332 120.500 -0.042 0.000 2.359 224 R HA 0.067 4.407 4.340 -0.000 0.000 0.231 224 R C 0.430 176.693 176.300 -0.062 0.000 0.913 224 R CA 0.087 56.151 56.100 -0.059 0.000 1.075 224 R CB 0.012 30.268 30.300 -0.072 0.000 1.087 224 R HN 0.039 nan 8.270 nan 0.000 0.515 225 K N 1.412 121.786 120.400 -0.043 0.000 2.504 225 K HA -0.007 4.313 4.320 -0.000 0.000 0.278 225 K C -0.071 176.513 176.600 -0.026 0.000 1.025 225 K CA 0.411 56.680 56.287 -0.030 0.000 1.093 225 K CB -0.317 32.179 32.500 -0.008 0.000 0.873 225 K HN 0.437 nan 8.250 nan 0.000 0.483 226 C N 2.888 122.172 119.300 -0.027 0.000 3.029 226 C HA 0.445 4.905 4.460 -0.000 0.000 0.396 226 C C -1.047 173.926 174.990 -0.028 0.000 1.072 226 C CA -0.576 58.426 59.018 -0.028 0.000 1.269 226 C CB -0.106 27.601 27.740 -0.055 0.000 1.684 226 C HN 0.775 nan 8.230 nan 0.000 0.510 227 V N 5.672 125.569 119.914 -0.027 0.000 2.465 227 V HA 0.345 4.465 4.120 -0.000 0.000 0.279 227 V C 0.749 176.793 176.094 -0.084 0.000 1.045 227 V CA -0.037 62.217 62.300 -0.077 0.000 0.938 227 V CB 1.443 33.148 31.823 -0.197 0.000 0.986 227 V HN 0.856 nan 8.190 nan 0.000 0.467 228 E N 3.651 123.810 120.200 -0.069 0.000 2.502 228 E HA -0.054 4.296 4.350 -0.000 0.000 0.261 228 E C 1.365 177.922 176.600 -0.072 0.000 0.974 228 E CA 0.762 57.128 56.400 -0.056 0.000 0.936 228 E CB 1.089 30.764 29.700 -0.042 0.000 0.926 228 E HN 0.888 nan 8.360 nan 0.000 0.459 229 E N 3.984 124.154 120.200 -0.050 0.000 2.160 229 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 229 E C 1.817 178.391 176.600 -0.044 0.000 0.991 229 E CA 1.532 57.906 56.400 -0.042 0.000 0.810 229 E CB -0.785 28.899 29.700 -0.027 0.000 0.742 229 E HN 0.753 nan 8.360 nan 0.000 0.466 230 G N 0.723 109.496 108.800 -0.046 0.000 2.448 230 G HA2 0.081 4.041 3.960 -0.000 0.000 0.218 230 G HA3 0.081 4.041 3.960 -0.000 0.000 0.218 230 G C 1.603 176.474 174.900 -0.047 0.000 1.135 230 G CA 1.065 46.140 45.100 -0.041 0.000 0.784 230 G HN 0.859 nan 8.290 nan 0.000 0.543 231 I N -2.801 117.727 120.570 -0.070 0.000 4.009 231 I HA 0.478 4.648 4.170 -0.000 0.000 0.331 231 I C 0.686 176.708 176.117 -0.159 0.000 1.462 231 I CA -0.715 60.535 61.300 -0.084 0.000 1.117 231 I CB 0.412 38.367 38.000 -0.074 0.000 1.091 231 I HN -0.181 nan 8.210 nan 0.000 0.410 232 R N 2.729 123.139 120.500 -0.149 0.000 2.438 232 R HA 0.385 4.725 4.340 -0.000 0.000 0.287 232 R C 0.122 176.410 176.300 -0.021 0.000 1.077 232 R CA 0.443 56.431 56.100 -0.185 0.000 1.034 232 R CB 0.927 31.168 30.300 -0.098 0.000 0.993 232 R HN 0.484 nan 8.270 nan 0.000 0.459 233 T N -1.058 113.597 114.554 0.168 0.000 2.762 233 T HA 0.213 4.563 4.350 -0.000 0.000 0.272 233 T C 0.502 175.317 174.700 0.192 0.000 0.982 233 T CA -0.851 61.374 62.100 0.209 0.000 1.013 233 T CB 1.125 70.130 68.868 0.228 0.000 1.309 233 T HN 0.447 nan 8.240 nan 0.000 0.572 234 D N 0.047 120.507 120.400 0.099 0.000 2.312 234 D HA 0.097 4.737 4.640 -0.000 0.000 0.211 234 D C 2.011 178.324 176.300 0.022 0.000 0.964 234 D CA 1.012 55.044 54.000 0.053 0.000 0.877 234 D CB -0.283 40.533 40.800 0.026 0.000 0.924 234 D HN 0.673 nan 8.370 nan 0.000 0.515 235 A N 0.148 122.956 122.820 -0.020 0.000 2.072 235 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 235 A C 0.418 177.881 177.584 -0.202 0.000 1.156 235 A CA 0.380 52.326 52.037 -0.153 0.000 0.701 235 A CB -0.450 18.390 19.000 -0.267 0.000 0.816 235 A HN 0.209 nan 8.150 nan 0.000 0.458 236 H N 1.214 120.288 119.070 0.006 0.000 2.846 236 H HA 0.386 4.942 4.556 -0.000 0.000 0.278 236 H C 0.322 175.651 175.328 0.002 0.000 1.117 236 H CA -0.134 55.917 56.048 0.005 0.000 1.406 236 H CB 0.298 30.064 29.762 0.006 0.000 1.445 236 H HN 0.496 nan 8.280 nan 0.000 0.469 237 R N 2.179 122.722 120.500 0.072 0.000 2.532 237 R HA 0.374 4.714 4.340 -0.000 0.000 0.295 237 R C -1.062 175.262 176.300 0.040 0.000 0.968 237 R CA -1.055 55.071 56.100 0.044 0.000 0.916 237 R CB 1.411 31.721 30.300 0.017 0.000 1.124 237 R HN 0.351 nan 8.270 nan 0.000 0.463 238 D N 1.517 121.933 120.400 0.026 0.000 2.362 238 D HA 0.155 4.795 4.640 -0.000 0.000 0.242 238 D C 0.551 176.854 176.300 0.005 0.000 1.132 238 D CA 0.130 54.137 54.000 0.012 0.000 0.907 238 D CB 1.150 41.952 40.800 0.003 0.000 1.195 238 D HN 0.699 nan 8.370 nan 0.000 0.429 239 G N 0.112 108.909 108.800 -0.005 0.000 2.599 239 G HA2 0.090 4.050 3.960 -0.000 0.000 0.264 239 G HA3 0.090 4.050 3.960 -0.000 0.000 0.264 239 G C 0.733 175.628 174.900 -0.007 0.000 1.200 239 G CA -0.444 44.651 45.100 -0.008 0.000 0.896 239 G HN 0.466 nan 8.290 nan 0.000 0.536 240 D N -0.793 119.605 120.400 -0.004 0.000 2.269 240 D HA -0.032 4.608 4.640 -0.000 0.000 0.208 240 D C 0.763 177.063 176.300 -0.001 0.000 0.963 240 D CA 0.720 54.720 54.000 -0.000 0.000 0.864 240 D CB 0.157 40.959 40.800 0.003 0.000 0.936 240 D HN 0.494 nan 8.370 nan 0.000 0.505 241 E N 0.401 120.597 120.200 -0.006 0.000 2.250 241 E HA 0.207 4.557 4.350 -0.000 0.000 0.265 241 E C 0.103 176.691 176.600 -0.019 0.000 1.033 241 E CA -0.852 55.544 56.400 -0.005 0.000 0.888 241 E CB 1.196 30.893 29.700 -0.004 0.000 1.151 241 E HN 0.284 nan 8.360 nan 0.000 0.412 242 E N 1.841 122.035 120.200 -0.011 0.000 2.422 242 E HA 0.019 4.369 4.350 -0.000 0.000 0.260 242 E C -0.083 176.438 176.600 -0.131 0.000 1.108 242 E CA -0.314 56.065 56.400 -0.035 0.000 0.943 242 E CB 0.386 30.110 29.700 0.040 0.000 0.961 242 E HN 0.415 nan 8.360 nan 0.000 0.443 243 M N 0.784 120.240 119.600 -0.240 0.000 2.240 243 M HA 0.228 4.708 4.480 -0.000 0.000 0.317 243 M C -0.355 175.613 176.300 -0.553 0.000 1.087 243 M CA -0.051 55.045 55.300 -0.341 0.000 1.176 243 M CB 0.178 32.584 32.600 -0.323 0.000 1.439 243 M HN 0.436 nan 8.290 nan 0.000 0.452 244 I N 2.038 122.400 120.570 -0.346 0.000 2.496 244 I HA 0.017 4.187 4.170 -0.000 0.000 0.285 244 I C -0.608 175.325 176.117 -0.306 0.000 1.080 244 I CA -0.133 61.012 61.300 -0.258 0.000 1.404 244 I CB 0.288 38.234 38.000 -0.090 0.000 1.403 244 I HN 0.620 nan 8.210 nan 0.000 0.539 245 Y N 4.732 125.054 120.300 0.038 0.000 2.976 245 Y HA 0.301 4.851 4.550 -0.000 0.000 0.389 245 Y C 0.723 176.663 175.900 0.067 0.000 1.072 245 Y CA -0.095 58.030 58.100 0.042 0.000 1.809 245 Y CB -0.003 38.475 38.460 0.031 0.000 1.736 245 Y HN 0.483 nan 8.280 nan 0.000 0.471 246 S N -0.383 115.402 115.700 0.142 0.000 2.548 246 S HA 0.190 4.660 4.470 -0.000 0.000 0.278 246 S C 0.259 174.917 174.600 0.096 0.000 1.150 246 S CA -0.772 57.513 58.200 0.142 0.000 0.907 246 S CB 0.845 64.198 63.200 0.255 0.000 1.108 246 S HN 0.427 nan 8.310 nan 0.000 0.459 247 N N 2.328 121.070 118.700 0.070 0.000 2.220 247 N HA 0.011 4.751 4.740 -0.000 0.000 0.182 247 N C 1.445 177.061 175.510 0.176 0.000 1.023 247 N CA 1.415 54.513 53.050 0.080 0.000 0.856 247 N CB -0.339 38.162 38.487 0.023 0.000 0.997 247 N HN 0.690 nan 8.380 nan 0.000 0.429 248 Y N -0.712 119.540 120.300 -0.081 0.000 2.314 248 Y HA 0.046 4.596 4.550 -0.000 0.000 0.293 248 Y C 0.744 176.611 175.900 -0.056 0.000 1.129 248 Y CA 1.288 59.302 58.100 -0.143 0.000 1.201 248 Y CB -0.073 38.097 38.460 -0.483 0.000 0.999 248 Y HN 0.062 nan 8.280 nan 0.000 0.541 249 F N -0.233 119.802 119.950 0.141 0.000 2.727 249 F HA 0.119 4.646 4.527 -0.000 0.000 0.302 249 F C 0.742 176.512 175.800 -0.050 0.000 1.097 249 F CA -0.439 57.573 58.000 0.021 0.000 1.330 249 F CB -0.442 38.594 39.000 0.061 0.000 1.084 249 F HN -0.109 nan 8.300 nan 0.000 0.578 250 D N 1.757 122.223 120.400 0.110 0.000 2.385 250 D HA -0.016 4.624 4.640 -0.000 0.000 0.260 250 D C 1.446 177.683 176.300 -0.105 0.000 1.326 250 D CA 0.303 54.305 54.000 0.003 0.000 1.023 250 D CB 0.311 41.116 40.800 0.009 0.000 1.083 250 D HN 0.253 nan 8.370 nan 0.000 0.517 251 L N 2.891 124.055 121.223 -0.098 0.000 2.265 251 L HA -0.090 4.250 4.340 -0.000 0.000 0.215 251 L C 2.455 179.205 176.870 -0.201 0.000 1.117 251 L CA 0.934 55.681 54.840 -0.155 0.000 0.782 251 L CB -0.184 41.786 42.059 -0.147 0.000 0.914 251 L HN 0.435 nan 8.230 nan 0.000 0.441 252 G N -0.165 108.534 108.800 -0.168 0.000 2.442 252 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 252 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 252 G C 1.617 176.427 174.900 -0.149 0.000 1.141 252 G CA 0.632 45.631 45.100 -0.170 0.000 0.763 252 G HN 0.244 nan 8.290 nan 0.000 0.554 253 M N -0.173 119.346 119.600 -0.135 0.000 2.287 253 M HA 0.054 4.534 4.480 -0.000 0.000 0.266 253 M C 2.621 178.834 176.300 -0.145 0.000 1.079 253 M CA 0.444 55.681 55.300 -0.105 0.000 1.146 253 M CB 0.104 32.681 32.600 -0.039 0.000 1.374 253 M HN 0.092 nan 8.290 nan 0.000 0.435 254 V N 0.496 120.248 119.914 -0.270 0.000 2.343 254 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 254 V C 2.328 178.529 176.094 0.179 0.000 1.051 254 V CA 1.722 63.996 62.300 -0.044 0.000 1.036 254 V CB -0.630 31.138 31.823 -0.092 0.000 0.654 254 V HN 0.505 nan 8.190 nan 0.000 0.451 255 M N -0.183 119.355 119.600 -0.104 0.000 2.149 255 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 255 M C 1.844 178.087 176.300 -0.096 0.000 1.064 255 M CA 1.773 56.870 55.300 -0.338 0.000 1.102 255 M CB -0.576 31.450 32.600 -0.957 0.000 1.369 255 M HN 0.324 nan 8.290 nan 0.000 0.408 256 D N -0.948 119.449 120.400 -0.006 0.000 2.269 256 D HA -0.128 4.512 4.640 -0.000 0.000 0.208 256 D C 1.581 178.037 176.300 0.260 0.000 0.963 256 D CA 0.951 55.027 54.000 0.127 0.000 0.864 256 D CB -0.134 40.728 40.800 0.103 0.000 0.936 256 D HN 0.369 nan 8.370 nan 0.000 0.505 257 Y N -0.750 119.633 120.300 0.138 0.000 2.314 257 Y HA -0.058 4.492 4.550 -0.000 0.000 0.294 257 Y C 1.472 177.412 175.900 0.067 0.000 1.119 257 Y CA 0.867 59.023 58.100 0.093 0.000 1.179 257 Y CB -0.454 38.031 38.460 0.042 0.000 1.025 257 Y HN -0.091 nan 8.280 nan 0.000 0.541 258 W N 0.835 122.157 121.300 0.036 0.000 2.658 258 W HA 0.237 4.897 4.660 -0.000 0.000 0.263 258 W C 1.740 178.348 176.519 0.148 0.000 1.274 258 W CA 0.869 58.219 57.345 0.009 0.000 1.343 258 W CB -0.660 28.879 29.460 0.133 0.000 1.106 258 W HN 0.075 nan 8.180 nan 0.000 0.615 259 G N 0.679 109.766 108.800 0.478 0.000 2.535 259 G HA2 0.141 4.101 3.960 -0.000 0.000 0.282 259 G HA3 0.141 4.101 3.960 -0.000 0.000 0.282 259 G C -1.418 173.617 174.900 0.226 0.000 1.350 259 G CA -0.628 44.728 45.100 0.427 0.000 1.039 259 G HN -0.176 nan 8.290 nan 0.000 0.509 260 P HA 0.046 nan 4.420 nan 0.000 0.222 260 P C 1.378 178.744 177.300 0.110 0.000 1.147 260 P CA 1.797 64.966 63.100 0.115 0.000 0.790 260 P CB 0.077 31.833 31.700 0.092 0.000 0.780 261 E N 0.581 120.865 120.200 0.139 0.000 2.216 261 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 261 E C 1.147 177.830 176.600 0.138 0.000 0.988 261 E CA 0.280 56.754 56.400 0.125 0.000 0.834 261 E CB -0.829 28.955 29.700 0.140 0.000 0.772 261 E HN 0.045 nan 8.360 nan 0.000 0.479 262 R N -0.698 119.911 120.500 0.181 0.000 3.422 262 R HA -0.125 4.215 4.340 -0.000 0.000 0.267 262 R C 0.301 176.824 176.300 0.371 0.000 1.074 262 R CA 0.646 56.912 56.100 0.277 0.000 0.718 262 R CB -2.873 27.604 30.300 0.295 0.000 1.157 262 R HN 0.535 nan 8.270 nan 0.000 0.440 263 L N 1.838 123.249 121.223 0.314 0.000 2.584 263 L HA 0.050 4.390 4.340 -0.000 0.000 0.272 263 L C 0.624 177.661 176.870 0.278 0.000 1.195 263 L CA 0.516 55.508 54.840 0.252 0.000 0.920 263 L CB 0.326 42.507 42.059 0.204 0.000 1.173 263 L HN 0.092 nan 8.230 nan 0.000 0.489 264 N N 4.432 123.240 118.700 0.180 0.000 2.605 264 N HA -0.065 4.675 4.740 -0.000 0.000 0.282 264 N C 1.012 176.463 175.510 -0.098 0.000 1.206 264 N CA 0.209 53.296 53.050 0.062 0.000 1.074 264 N CB -0.060 38.505 38.487 0.129 0.000 1.434 264 N HN 0.632 nan 8.380 nan 0.000 0.506 265 H N 2.130 120.981 119.070 -0.365 0.000 2.370 265 H HA -0.016 4.540 4.556 -0.000 0.000 0.304 265 H C -0.231 174.983 175.328 -0.191 0.000 1.055 265 H CA 1.161 57.072 56.048 -0.228 0.000 1.373 265 H CB 0.455 30.148 29.762 -0.114 0.000 1.423 265 H HN 0.705 nan 8.280 nan 0.000 0.533 266 H N -1.472 117.251 119.070 -0.578 0.000 3.037 266 H HA 0.179 4.735 4.556 -0.000 0.000 0.336 266 H C -1.192 173.899 175.328 -0.395 0.000 1.323 266 H CA -0.582 55.223 56.048 -0.405 0.000 1.159 266 H CB 0.550 30.162 29.762 -0.250 0.000 1.882 266 H HN -0.055 nan 8.280 nan 0.000 0.535 267 T N 2.244 116.659 114.554 -0.230 0.000 2.750 267 T HA 0.041 4.391 4.350 -0.000 0.000 0.286 267 T C 0.449 175.076 174.700 -0.122 0.000 0.911 267 T CA -0.090 61.889 62.100 -0.203 0.000 1.130 267 T CB 0.102 68.924 68.868 -0.076 0.000 0.873 267 T HN 0.448 nan 8.240 nan 0.000 0.536 268 E N 2.911 122.987 120.200 -0.207 0.000 2.465 268 E HA 0.283 4.633 4.350 -0.000 0.000 0.260 268 E C 0.147 176.742 176.600 -0.008 0.000 0.980 268 E CA -0.220 56.153 56.400 -0.045 0.000 0.927 268 E CB 0.282 29.901 29.700 -0.135 0.000 0.934 268 E HN 0.698 nan 8.360 nan 0.000 0.459 269 A N 4.703 127.574 122.820 0.085 0.000 2.500 269 A HA 0.048 4.368 4.320 -0.000 0.000 0.285 269 A C 1.163 178.669 177.584 -0.130 0.000 1.183 269 A CA 0.433 52.478 52.037 0.013 0.000 0.851 269 A CB -0.380 18.664 19.000 0.074 0.000 1.091 269 A HN 0.818 nan 8.150 nan 0.000 0.521 270 T N 2.283 116.701 114.554 -0.228 0.000 2.674 270 T HA -0.145 4.205 4.350 -0.000 0.000 0.265 270 T C 2.013 176.172 174.700 -0.900 0.000 1.039 270 T CA 2.308 64.099 62.100 -0.514 0.000 1.150 270 T CB -0.318 68.333 68.868 -0.361 0.000 0.864 270 T HN 0.678 nan 8.240 nan 0.000 0.427 271 T N 1.980 116.257 114.554 -0.460 0.000 2.777 271 T HA 0.040 4.390 4.350 -0.000 0.000 0.266 271 T C 2.434 177.052 174.700 -0.136 0.000 1.040 271 T CA 1.098 63.050 62.100 -0.247 0.000 1.141 271 T CB -0.566 68.285 68.868 -0.029 0.000 0.868 271 T HN 0.434 nan 8.240 nan 0.000 0.444 272 A N 0.999 123.761 122.820 -0.097 0.000 1.972 272 A HA 0.043 4.363 4.320 -0.000 0.000 0.219 272 A C 2.255 179.847 177.584 0.013 0.000 1.169 272 A CA 1.108 53.143 52.037 -0.004 0.000 0.635 272 A CB -0.780 18.241 19.000 0.034 0.000 0.810 272 A HN 0.478 nan 8.150 nan 0.000 0.446 273 L N -1.514 119.665 121.223 -0.075 0.000 2.046 273 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 273 L C 2.249 179.179 176.870 0.099 0.000 1.077 273 L CA 1.648 56.492 54.840 0.007 0.000 0.747 273 L CB -0.330 41.682 42.059 -0.078 0.000 0.896 273 L HN 0.343 nan 8.230 nan 0.000 0.432 274 F N 0.249 120.195 119.950 -0.006 0.000 2.126 274 F HA -0.098 4.429 4.527 0.000 0.000 0.299 274 F C 2.525 178.310 175.800 -0.027 0.000 1.096 274 F CA 0.918 58.875 58.000 -0.071 0.000 1.255 274 F CB -1.842 37.102 39.000 -0.094 0.000 0.997 274 F HN 0.148 nan 8.300 nan 0.000 0.479 275 G N -0.439 108.476 108.800 0.192 0.000 2.421 275 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 275 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 275 G C 1.941 176.919 174.900 0.130 0.000 1.171 275 G CA 1.105 46.279 45.100 0.123 0.000 0.775 275 G HN 0.469 nan 8.290 nan 0.000 0.543 276 A N 0.547 123.465 122.820 0.162 0.000 1.940 276 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 276 A C 2.325 180.081 177.584 0.285 0.000 1.176 276 A CA 1.943 54.127 52.037 0.245 0.000 0.631 276 A CB -0.479 18.661 19.000 0.233 0.000 0.814 276 A HN 0.377 nan 8.150 nan 0.000 0.446 277 R N -0.643 119.985 120.500 0.213 0.000 2.073 277 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 277 R C 2.070 178.393 176.300 0.037 0.000 1.134 277 R CA 1.582 57.764 56.100 0.137 0.000 0.952 277 R CB -0.222 30.148 30.300 0.116 0.000 0.850 277 R HN 0.481 nan 8.270 nan 0.000 0.433 278 E N 0.360 120.582 120.200 0.037 0.000 2.051 278 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 278 E C 2.139 178.728 176.600 -0.018 0.000 0.991 278 E CA 1.412 57.811 56.400 -0.001 0.000 0.799 278 E CB -0.538 29.162 29.700 -0.000 0.000 0.748 278 E HN 0.437 nan 8.360 nan 0.000 0.449 279 C N 0.778 120.083 119.300 0.008 0.000 2.385 279 C HA -0.195 4.265 4.460 -0.000 0.000 0.275 279 C C 2.865 177.797 174.990 -0.098 0.000 1.207 279 C CA 1.215 60.230 59.018 -0.005 0.000 1.760 279 C CB -1.191 26.587 27.740 0.064 0.000 2.051 279 C HN 0.512 nan 8.230 nan 0.000 0.467 280 A N -0.184 122.497 122.820 -0.232 0.000 1.897 280 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 280 A C 2.259 179.698 177.584 -0.241 0.000 1.181 280 A CA 1.583 53.357 52.037 -0.439 0.000 0.620 280 A CB -0.628 17.792 19.000 -0.967 0.000 0.821 280 A HN 0.638 nan 8.150 nan 0.000 0.443 281 R N -0.352 120.057 120.500 -0.152 0.000 2.081 281 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 281 R C 1.945 178.210 176.300 -0.058 0.000 1.131 281 R CA 1.531 57.581 56.100 -0.085 0.000 0.960 281 R CB -0.373 29.900 30.300 -0.045 0.000 0.856 281 R HN 0.548 nan 8.270 nan 0.000 0.436 282 L N 0.044 121.237 121.223 -0.050 0.000 2.027 282 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 282 L C 2.423 179.284 176.870 -0.014 0.000 1.074 282 L CA 1.137 55.964 54.840 -0.021 0.000 0.745 282 L CB -0.376 41.676 42.059 -0.011 0.000 0.898 282 L HN 0.222 nan 8.230 nan 0.000 0.433 283 I N -0.089 120.459 120.570 -0.037 0.000 2.208 283 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 283 I C 2.300 178.399 176.117 -0.030 0.000 1.097 283 I CA 1.479 62.763 61.300 -0.027 0.000 1.363 283 I CB -0.143 37.816 38.000 -0.069 0.000 1.051 283 I HN 0.243 nan 8.210 nan 0.000 0.413 284 L N -0.463 120.723 121.223 -0.061 0.000 2.341 284 L HA -0.113 4.227 4.340 -0.000 0.000 0.214 284 L C 2.446 179.306 176.870 -0.016 0.000 1.115 284 L CA 0.683 55.492 54.840 -0.052 0.000 0.820 284 L CB -0.412 41.599 42.059 -0.081 0.000 0.944 284 L HN 0.278 nan 8.230 nan 0.000 0.452 285 Q N -0.061 119.736 119.800 -0.005 0.000 2.079 285 Q HA -0.233 4.107 4.340 -0.000 0.000 0.200 285 Q C 2.073 178.103 176.000 0.050 0.000 0.974 285 Q CA 1.427 57.240 55.803 0.017 0.000 0.840 285 Q CB 0.056 28.801 28.738 0.011 0.000 0.898 285 Q HN 0.437 nan 8.270 nan 0.000 0.430 286 E N -0.260 119.977 120.200 0.063 0.000 2.208 286 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 286 E C -0.012 176.704 176.600 0.193 0.000 0.988 286 E CA 0.653 57.123 56.400 0.116 0.000 0.828 286 E CB 0.228 29.991 29.700 0.105 0.000 0.763 286 E HN 0.329 nan 8.360 nan 0.000 0.478 287 G N 0.604 109.463 108.800 0.098 0.000 3.039 287 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 287 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 287 G C 0.013 174.925 174.900 0.020 0.000 1.066 287 G CA -0.066 45.053 45.100 0.031 0.000 0.774 287 G HN 0.203 nan 8.290 nan 0.000 0.591 288 L N 1.316 122.514 121.223 -0.042 0.000 2.017 288 L HA 0.063 4.403 4.340 -0.000 0.000 0.208 288 L C 2.449 179.306 176.870 -0.021 0.000 1.073 288 L CA 2.870 57.689 54.840 -0.035 0.000 0.745 288 L CB -0.370 41.645 42.059 -0.074 0.000 0.894 288 L HN 0.702 nan 8.230 nan 0.000 0.432 289 D N -1.266 119.082 120.400 -0.087 0.000 2.104 289 D HA -0.241 4.399 4.640 -0.000 0.000 0.194 289 D C 2.141 178.455 176.300 0.023 0.000 0.994 289 D CA 1.583 55.531 54.000 -0.087 0.000 0.830 289 D CB -0.288 40.389 40.800 -0.204 0.000 0.959 289 D HN 0.350 nan 8.370 nan 0.000 0.452 290 Y N 1.245 121.561 120.300 0.026 0.000 2.181 290 Y HA -0.039 4.511 4.550 0.000 0.000 0.288 290 Y C 2.680 178.617 175.900 0.061 0.000 1.146 290 Y CA 0.818 58.940 58.100 0.035 0.000 1.164 290 Y CB -1.089 37.386 38.460 0.027 0.000 0.982 290 Y HN -0.024 nan 8.280 nan 0.000 0.515 291 G N -0.050 108.890 108.800 0.233 0.000 2.440 291 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 291 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 291 G C 1.794 176.882 174.900 0.314 0.000 1.154 291 G CA 1.229 46.466 45.100 0.228 0.000 0.767 291 G HN 0.398 nan 8.290 nan 0.000 0.552 292 I N 1.362 122.054 120.570 0.204 0.000 2.202 292 I HA -0.117 4.053 4.170 -0.000 0.000 0.242 292 I C 3.308 179.537 176.117 0.187 0.000 1.091 292 I CA 0.933 62.338 61.300 0.175 0.000 1.368 292 I CB -0.274 37.770 38.000 0.074 0.000 1.058 292 I HN 0.226 nan 8.210 nan 0.000 0.410 293 A N 0.903 123.815 122.820 0.154 0.000 1.917 293 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 293 A C 2.443 180.085 177.584 0.097 0.000 1.182 293 A CA 2.158 54.270 52.037 0.124 0.000 0.633 293 A CB -0.761 18.327 19.000 0.146 0.000 0.819 293 A HN 0.405 nan 8.150 nan 0.000 0.448 294 R N -1.411 119.156 120.500 0.112 0.000 2.073 294 R HA -0.179 4.161 4.340 -0.000 0.000 0.234 294 R C 2.131 178.470 176.300 0.065 0.000 1.134 294 R CA 1.656 57.786 56.100 0.050 0.000 0.952 294 R CB -0.509 29.841 30.300 0.083 0.000 0.850 294 R HN 0.702 nan 8.270 nan 0.000 0.433 295 H N 0.252 119.395 119.070 0.122 0.000 2.387 295 H HA -0.136 4.420 4.556 0.000 0.000 0.299 295 H C 1.994 177.372 175.328 0.083 0.000 1.099 295 H CA 1.679 57.799 56.048 0.120 0.000 1.315 295 H CB 0.056 29.872 29.762 0.091 0.000 1.380 295 H HN 0.266 nan 8.280 nan 0.000 0.513 296 K N 0.783 121.283 120.400 0.168 0.000 2.001 296 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 296 K C 2.313 178.933 176.600 0.033 0.000 1.048 296 K CA 0.952 57.294 56.287 0.092 0.000 0.932 296 K CB -0.196 32.351 32.500 0.077 0.000 0.715 296 K HN 0.067 nan 8.250 nan 0.000 0.437 297 L N 1.490 122.698 121.223 -0.025 0.000 1.990 297 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 297 L C 2.245 179.015 176.870 -0.166 0.000 1.072 297 L CA 1.994 56.772 54.840 -0.103 0.000 0.755 297 L CB -0.749 41.171 42.059 -0.232 0.000 0.889 297 L HN 0.331 nan 8.230 nan 0.000 0.432 298 H N -0.863 118.241 119.070 0.058 0.000 2.462 298 H HA 0.092 4.648 4.556 -0.000 0.000 0.292 298 H C 2.090 177.405 175.328 -0.021 0.000 1.049 298 H CA 1.005 57.085 56.048 0.053 0.000 1.334 298 H CB -0.522 29.276 29.762 0.061 0.000 1.404 298 H HN 0.536 nan 8.280 nan 0.000 0.544 299 G N 1.072 109.924 108.800 0.086 0.000 2.404 299 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 299 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 299 G C 1.347 176.214 174.900 -0.056 0.000 1.174 299 G CA 0.662 45.785 45.100 0.039 0.000 0.780 299 G HN 0.285 nan 8.290 nan 0.000 0.537 300 D N 1.049 121.377 120.400 -0.119 0.000 2.117 300 D HA -0.043 4.597 4.640 -0.000 0.000 0.197 300 D C 2.813 178.802 176.300 -0.518 0.000 0.987 300 D CA 1.226 55.073 54.000 -0.256 0.000 0.829 300 D CB -0.412 40.265 40.800 -0.206 0.000 0.961 300 D HN 0.291 nan 8.370 nan 0.000 0.460 301 A N 0.551 122.986 122.820 -0.641 0.000 1.933 301 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 301 A C 2.179 179.596 177.584 -0.279 0.000 1.175 301 A CA 0.939 52.588 52.037 -0.647 0.000 0.628 301 A CB -0.662 17.952 19.000 -0.642 0.000 0.814 301 A HN 0.248 nan 8.150 nan 0.000 0.444 302 L N -0.074 121.058 121.223 -0.152 0.000 2.017 302 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 302 L C 2.406 179.233 176.870 -0.071 0.000 1.073 302 L CA 1.907 56.703 54.840 -0.073 0.000 0.745 302 L CB -0.486 41.558 42.059 -0.025 0.000 0.894 302 L HN 0.166 nan 8.230 nan 0.000 0.432 303 V N -0.063 119.801 119.914 -0.084 0.000 2.231 303 V HA -0.379 3.741 4.120 -0.000 0.000 0.248 303 V C 2.596 178.654 176.094 -0.060 0.000 1.054 303 V CA 2.388 64.655 62.300 -0.055 0.000 1.015 303 V CB -0.776 31.013 31.823 -0.057 0.000 0.638 303 V HN 0.453 nan 8.190 nan 0.000 0.444 304 K N -0.013 120.317 120.400 -0.117 0.000 2.152 304 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 304 K C 2.165 178.739 176.600 -0.043 0.000 1.048 304 K CA 1.332 57.569 56.287 -0.083 0.000 0.933 304 K CB -0.552 31.870 32.500 -0.130 0.000 0.721 304 K HN 0.600 nan 8.250 nan 0.000 0.447 305 G N 1.129 109.894 108.800 -0.058 0.000 2.403 305 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 305 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 305 G C 1.393 176.294 174.900 0.003 0.000 1.154 305 G CA 0.195 45.282 45.100 -0.023 0.000 0.784 305 G HN 0.050 nan 8.290 nan 0.000 0.538 306 I N 0.816 121.387 120.570 0.002 0.000 2.252 306 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 306 I C 2.791 178.939 176.117 0.052 0.000 1.102 306 I CA 1.074 62.392 61.300 0.031 0.000 1.385 306 I CB -1.127 36.895 38.000 0.037 0.000 1.064 306 I HN 0.293 nan 8.210 nan 0.000 0.414 307 Q N 0.369 120.192 119.800 0.037 0.000 2.124 307 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 307 Q C 2.248 178.280 176.000 0.054 0.000 0.977 307 Q CA 1.783 57.613 55.803 0.045 0.000 0.850 307 Q CB -0.196 28.558 28.738 0.028 0.000 0.901 307 Q HN 0.523 nan 8.270 nan 0.000 0.429 308 A N 0.212 123.060 122.820 0.047 0.000 2.168 308 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 308 A C 1.824 179.449 177.584 0.069 0.000 1.152 308 A CA 0.545 52.614 52.037 0.054 0.000 0.716 308 A CB -0.322 18.708 19.000 0.050 0.000 0.794 308 A HN 0.351 nan 8.150 nan 0.000 0.465 309 M N -1.384 118.265 119.600 0.082 0.000 2.492 309 M HA 0.123 4.603 4.480 -0.000 0.000 0.262 309 M C 1.263 177.663 176.300 0.166 0.000 1.090 309 M CA 1.206 56.576 55.300 0.117 0.000 1.110 309 M CB 0.179 32.849 32.600 0.115 0.000 1.407 309 M HN 0.615 nan 8.290 nan 0.000 0.470 310 G N 1.082 109.968 108.800 0.143 0.000 2.144 310 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 310 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 310 G C -0.251 174.775 174.900 0.211 0.000 0.988 310 G CA -0.290 44.908 45.100 0.163 0.000 0.659 310 G HN 0.405 nan 8.290 nan 0.000 0.522 311 L N 1.617 122.943 121.223 0.172 0.000 2.309 311 L HA 0.529 4.869 4.340 -0.000 0.000 0.282 311 L C 0.909 177.842 176.870 0.104 0.000 1.036 311 L CA -1.036 53.889 54.840 0.142 0.000 0.806 311 L CB 1.146 43.282 42.059 0.129 0.000 1.220 311 L HN 0.406 nan 8.230 nan 0.000 0.429 312 E N 1.211 121.465 120.200 0.091 0.000 2.349 312 E HA 0.342 4.692 4.350 -0.000 0.000 0.265 312 E C -0.724 175.930 176.600 0.090 0.000 1.064 312 E CA -0.725 55.722 56.400 0.079 0.000 0.886 312 E CB 1.107 30.849 29.700 0.069 0.000 1.036 312 E HN 0.537 nan 8.360 nan 0.000 0.413 313 T N 0.119 114.726 114.554 0.089 0.000 2.794 313 T HA 0.386 4.736 4.350 -0.000 0.000 0.280 313 T C -0.471 174.313 174.700 0.141 0.000 0.987 313 T CA -0.894 61.274 62.100 0.113 0.000 0.993 313 T CB 0.537 69.451 68.868 0.078 0.000 0.939 313 T HN 0.441 nan 8.240 nan 0.000 0.449 314 F N 2.976 122.951 119.950 0.041 0.000 2.418 314 F HA 0.543 5.070 4.527 -0.000 0.000 0.341 314 F C 0.931 176.770 175.800 0.064 0.000 1.120 314 F CA 1.241 59.270 58.000 0.049 0.000 1.232 314 F CB -0.076 38.956 39.000 0.053 0.000 1.175 314 F HN 1.349 nan 8.300 nan 0.000 0.569 315 G N 3.906 112.122 108.800 -0.974 0.000 2.746 315 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.685 315 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.685 315 G C -1.423 173.305 174.900 -0.287 0.000 1.350 315 G CA -0.523 44.136 45.100 -0.736 0.000 0.837 315 G HN 0.980 nan 8.290 nan 0.000 0.564 316 D N 0.094 120.388 120.400 -0.177 0.000 2.338 316 D HA 0.365 5.005 4.640 -0.000 0.000 0.255 316 D C 1.867 178.153 176.300 -0.023 0.000 1.237 316 D CA -0.309 53.654 54.000 -0.062 0.000 0.883 316 D CB 0.506 41.312 40.800 0.010 0.000 1.087 316 D HN 0.417 nan 8.370 nan 0.000 0.485 317 L N 3.518 124.719 121.223 -0.037 0.000 2.201 317 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 317 L C 2.214 179.049 176.870 -0.058 0.000 1.105 317 L CA 0.739 55.561 54.840 -0.031 0.000 0.775 317 L CB -0.172 41.870 42.059 -0.028 0.000 0.913 317 L HN 0.426 nan 8.230 nan 0.000 0.440 318 K N -0.452 119.877 120.400 -0.118 0.000 2.152 318 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 318 K C 0.935 177.311 176.600 -0.374 0.000 1.048 318 K CA 1.393 57.515 56.287 -0.276 0.000 0.933 318 K CB -0.124 32.123 32.500 -0.421 0.000 0.721 318 K HN 0.466 nan 8.250 nan 0.000 0.447 319 H N -0.627 118.431 119.070 -0.021 0.000 2.486 319 H HA 0.182 4.738 4.556 -0.000 0.000 0.284 319 H C -0.510 174.825 175.328 0.011 0.000 1.103 319 H CA -0.383 55.656 56.048 -0.014 0.000 1.089 319 H CB 0.510 30.247 29.762 -0.042 0.000 1.603 319 H HN -0.071 nan 8.280 nan 0.000 0.557 320 K N 1.444 121.894 120.400 0.083 0.000 2.382 320 K HA 0.105 4.425 4.320 -0.000 0.000 0.275 320 K C -0.002 176.651 176.600 0.089 0.000 1.009 320 K CA -0.338 55.999 56.287 0.083 0.000 0.970 320 K CB 0.614 33.146 32.500 0.055 0.000 0.934 320 K HN 0.185 nan 8.250 nan 0.000 0.479 321 M N 3.818 123.479 119.600 0.102 0.000 2.251 321 M HA -0.095 4.385 4.480 -0.000 0.000 0.343 321 M C 1.156 177.507 176.300 0.085 0.000 1.245 321 M CA 0.002 55.358 55.300 0.093 0.000 1.061 321 M CB 0.364 33.020 32.600 0.094 0.000 1.723 321 M HN 0.638 nan 8.290 nan 0.000 0.449 322 N N 2.076 120.826 118.700 0.083 0.000 2.205 322 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 322 N C 0.914 176.500 175.510 0.126 0.000 1.015 322 N CA 1.304 54.414 53.050 0.100 0.000 0.862 322 N CB -0.254 38.304 38.487 0.119 0.000 0.986 322 N HN 0.648 nan 8.380 nan 0.000 0.429 323 N N -0.291 118.482 118.700 0.123 0.000 2.236 323 N HA 0.018 4.758 4.740 -0.000 0.000 0.196 323 N C -0.363 175.217 175.510 0.116 0.000 1.114 323 N CA 0.068 53.210 53.050 0.154 0.000 0.859 323 N CB 0.632 39.207 38.487 0.147 0.000 0.982 323 N HN -0.115 nan 8.380 nan 0.000 0.493 324 V N 0.769 120.744 119.914 0.102 0.000 2.841 324 V HA 0.528 4.648 4.120 -0.000 0.000 0.310 324 V C -0.764 175.392 176.094 0.103 0.000 1.090 324 V CA -0.912 61.448 62.300 0.101 0.000 0.930 324 V CB 2.850 34.737 31.823 0.107 0.000 1.014 324 V HN 0.063 nan 8.190 nan 0.000 0.425 325 L N 2.084 123.371 121.223 0.107 0.000 2.422 325 L HA 0.849 5.189 4.340 -0.000 0.000 0.264 325 L C 0.118 177.077 176.870 0.149 0.000 0.984 325 L CA -0.372 54.538 54.840 0.116 0.000 0.819 325 L CB 2.325 44.436 42.059 0.086 0.000 1.330 325 L HN 0.901 nan 8.230 nan 0.000 0.410 326 G N 3.318 112.232 108.800 0.191 0.000 2.347 326 G HA2 0.529 4.489 3.960 -0.000 0.000 0.314 326 G HA3 0.529 4.489 3.960 -0.000 0.000 0.314 326 G C -0.942 174.080 174.900 0.203 0.000 1.126 326 G CA -0.239 44.995 45.100 0.223 0.000 0.929 326 G HN 0.306 nan 8.290 nan 0.000 0.441 327 V N 3.424 123.455 119.914 0.194 0.000 2.398 327 V HA 0.277 4.397 4.120 -0.000 0.000 0.286 327 V C 0.300 176.445 176.094 0.085 0.000 1.026 327 V CA -0.781 61.638 62.300 0.200 0.000 0.868 327 V CB 1.588 33.595 31.823 0.307 0.000 0.982 327 V HN 0.528 nan 8.190 nan 0.000 0.443 328 V N 6.118 126.041 119.914 0.015 0.000 2.530 328 V HA 0.298 4.418 4.120 -0.000 0.000 0.282 328 V C 0.288 176.197 176.094 -0.308 0.000 1.048 328 V CA -0.276 61.937 62.300 -0.145 0.000 0.997 328 V CB 1.112 32.909 31.823 -0.043 0.000 0.987 328 V HN 0.651 nan 8.190 nan 0.000 0.477 329 I N 7.648 127.846 120.570 -0.620 0.000 2.452 329 I HA 0.193 4.363 4.170 -0.000 0.000 0.287 329 I C -1.414 174.496 176.117 -0.346 0.000 1.079 329 I CA -1.226 59.635 61.300 -0.732 0.000 1.387 329 I CB 0.806 38.229 38.000 -0.962 0.000 1.404 329 I HN 0.527 nan 8.210 nan 0.000 0.522 330 P HA 0.107 nan 4.420 nan 0.000 0.253 330 P C 0.029 177.308 177.300 -0.036 0.000 1.459 330 P CA 0.331 63.372 63.100 -0.098 0.000 0.908 330 P CB 0.211 31.884 31.700 -0.046 0.000 1.470 331 Q N -1.224 118.523 119.800 -0.088 0.000 3.238 331 Q HA 0.125 4.465 4.340 -0.000 0.000 0.025 331 Q C 0.912 176.912 176.000 -0.000 0.000 1.711 331 Q CA 1.342 57.115 55.803 -0.049 0.000 0.239 331 Q CB -2.507 26.215 28.738 -0.025 0.000 0.585 331 Q HN 0.764 nan 8.270 nan 0.000 0.322 332 G N -1.533 107.263 108.800 -0.007 0.000 2.812 332 G HA2 0.276 4.236 3.960 -0.000 0.000 0.219 332 G HA3 0.276 4.236 3.960 -0.000 0.000 0.219 332 G C 1.597 176.509 174.900 0.019 0.000 1.275 332 G CA 2.139 47.252 45.100 0.020 0.000 0.769 332 G HN 2.717 nan 8.290 nan 0.000 0.527 333 I N 1.999 122.579 120.570 0.017 0.000 2.588 333 I HA 0.680 4.850 4.170 -0.000 0.000 0.283 333 I C 0.580 176.696 176.117 -0.001 0.000 1.119 333 I CA 0.041 61.351 61.300 0.016 0.000 1.419 333 I CB 0.587 38.578 38.000 -0.015 0.000 1.394 333 I HN 0.598 nan 8.210 nan 0.000 0.562 334 N N 4.009 122.731 118.700 0.037 0.000 2.455 334 N HA 0.383 5.123 4.740 -0.000 0.000 0.280 334 N C 1.180 176.764 175.510 0.124 0.000 1.055 334 N CA 0.564 53.632 53.050 0.029 0.000 0.961 334 N CB 1.881 40.385 38.487 0.027 0.000 1.121 334 N HN 0.825 nan 8.380 nan 0.000 0.476 335 G N 2.082 110.918 108.800 0.059 0.000 2.402 335 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 335 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 335 G C 1.239 176.347 174.900 0.345 0.000 1.162 335 G CA 1.366 46.605 45.100 0.232 0.000 0.777 335 G HN 0.772 nan 8.290 nan 0.000 0.539 336 D N -0.054 120.433 120.400 0.144 0.000 2.183 336 D HA -0.032 4.608 4.640 -0.000 0.000 0.203 336 D C 2.228 178.596 176.300 0.114 0.000 0.969 336 D CA 1.417 55.493 54.000 0.127 0.000 0.842 336 D CB -0.469 40.381 40.800 0.083 0.000 0.957 336 D HN 0.503 nan 8.370 nan 0.000 0.484 337 Q N -0.714 119.150 119.800 0.107 0.000 2.123 337 Q HA 0.034 4.374 4.340 -0.000 0.000 0.199 337 Q C 2.498 178.552 176.000 0.091 0.000 0.966 337 Q CA 1.204 57.061 55.803 0.090 0.000 0.845 337 Q CB -0.107 28.676 28.738 0.075 0.000 0.907 337 Q HN 0.505 nan 8.270 nan 0.000 0.439 338 A N 0.737 123.623 122.820 0.110 0.000 1.897 338 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 338 A C 2.024 179.556 177.584 -0.087 0.000 1.181 338 A CA 1.095 53.132 52.037 -0.001 0.000 0.620 338 A CB -0.343 18.625 19.000 -0.054 0.000 0.821 338 A HN 0.292 nan 8.150 nan 0.000 0.443 339 R N -0.473 120.012 120.500 -0.024 0.000 2.081 339 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 339 R C 2.353 178.657 176.300 0.006 0.000 1.131 339 R CA 1.693 57.770 56.100 -0.038 0.000 0.960 339 R CB -0.222 30.110 30.300 0.054 0.000 0.856 339 R HN 0.576 nan 8.270 nan 0.000 0.436 340 K N 0.815 121.242 120.400 0.044 0.000 2.057 340 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 340 K C 1.979 178.615 176.600 0.060 0.000 1.049 340 K CA 1.141 57.461 56.287 0.054 0.000 0.931 340 K CB 0.019 32.557 32.500 0.064 0.000 0.714 340 K HN 0.128 nan 8.250 nan 0.000 0.440 341 L N 0.336 121.601 121.223 0.070 0.000 2.109 341 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 341 L C 2.610 179.561 176.870 0.136 0.000 1.086 341 L CA 0.608 55.514 54.840 0.109 0.000 0.760 341 L CB -0.323 41.824 42.059 0.148 0.000 0.910 341 L HN 0.285 nan 8.230 nan 0.000 0.437 342 M N -0.646 118.983 119.600 0.048 0.000 2.149 342 M HA -0.215 4.265 4.480 -0.000 0.000 0.261 342 M C 2.307 178.657 176.300 0.083 0.000 1.064 342 M CA 1.792 57.102 55.300 0.017 0.000 1.102 342 M CB -0.855 31.660 32.600 -0.142 0.000 1.369 342 M HN 0.250 nan 8.290 nan 0.000 0.408 343 L N 0.219 121.474 121.223 0.052 0.000 2.071 343 L HA -0.056 4.284 4.340 -0.000 0.000 0.201 343 L C 2.179 179.083 176.870 0.057 0.000 1.076 343 L CA 1.676 56.547 54.840 0.051 0.000 0.755 343 L CB -0.483 41.599 42.059 0.037 0.000 0.915 343 L HN 0.241 nan 8.230 nan 0.000 0.445 344 E N -0.578 119.654 120.200 0.052 0.000 2.150 344 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 344 E C 1.142 177.746 176.600 0.006 0.000 0.985 344 E CA 1.354 57.773 56.400 0.030 0.000 0.814 344 E CB 0.046 29.764 29.700 0.030 0.000 0.752 344 E HN 0.560 nan 8.360 nan 0.000 0.466 345 D N -1.239 119.175 120.400 0.024 0.000 2.380 345 D HA 0.047 4.687 4.640 -0.000 0.000 0.212 345 D C 0.835 176.987 176.300 -0.248 0.000 1.021 345 D CA 0.488 54.431 54.000 -0.095 0.000 0.884 345 D CB 0.181 40.931 40.800 -0.083 0.000 1.001 345 D HN 0.091 nan 8.370 nan 0.000 0.506 346 F N -0.288 119.635 119.950 -0.044 0.000 2.728 346 F HA 0.296 4.823 4.527 0.000 0.000 0.314 346 F C 1.549 177.327 175.800 -0.037 0.000 1.094 346 F CA 0.009 57.981 58.000 -0.046 0.000 1.217 346 F CB 0.957 39.923 39.000 -0.056 0.000 1.056 346 F HN -0.017 nan 8.300 nan 0.000 0.577 347 G N 2.086 110.953 108.800 0.111 0.000 2.249 347 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.273 347 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.273 347 G C -0.057 174.882 174.900 0.065 0.000 1.036 347 G CA 0.187 45.326 45.100 0.065 0.000 0.824 347 G HN 0.345 nan 8.290 nan 0.000 0.504 348 I N -0.040 120.574 120.570 0.073 0.000 2.389 348 I HA 0.335 4.505 4.170 -0.000 0.000 0.288 348 I C 0.256 176.371 176.117 -0.003 0.000 0.999 348 I CA -0.703 60.611 61.300 0.023 0.000 1.129 348 I CB 1.912 39.907 38.000 -0.009 0.000 1.288 348 I HN 0.142 nan 8.210 nan 0.000 0.444 349 E N 7.685 127.884 120.200 -0.002 0.000 2.130 349 E HA 0.406 4.756 4.350 -0.000 0.000 0.284 349 E C -0.893 175.691 176.600 -0.027 0.000 1.018 349 E CA -0.599 55.800 56.400 -0.003 0.000 0.817 349 E CB 0.934 30.649 29.700 0.025 0.000 1.078 349 E HN 0.541 nan 8.360 nan 0.000 0.396 350 I N 1.026 121.558 120.570 -0.063 0.000 2.525 350 I HA 0.606 4.776 4.170 -0.000 0.000 0.301 350 I C 0.575 176.685 176.117 -0.012 0.000 0.992 350 I CA -1.098 60.156 61.300 -0.077 0.000 1.162 350 I CB 1.664 39.535 38.000 -0.215 0.000 1.332 350 I HN 0.417 nan 8.210 nan 0.000 0.458 351 G N 2.472 111.294 108.800 0.036 0.000 2.432 351 G HA2 0.392 4.352 3.960 -0.000 0.000 0.257 351 G HA3 0.392 4.352 3.960 -0.000 0.000 0.257 351 G C -0.238 174.719 174.900 0.095 0.000 1.238 351 G CA -0.232 44.904 45.100 0.060 0.000 0.838 351 G HN 0.793 nan 8.290 nan 0.000 0.547 352 T N 0.092 114.643 114.554 -0.004 0.000 2.881 352 T HA 0.560 4.910 4.350 -0.000 0.000 0.278 352 T C 0.610 175.137 174.700 -0.288 0.000 0.982 352 T CA -0.338 61.718 62.100 -0.074 0.000 0.989 352 T CB 0.711 69.504 68.868 -0.126 0.000 1.058 352 T HN 0.424 nan 8.240 nan 0.000 0.529 353 S N 0.612 116.151 115.700 -0.268 0.000 2.638 353 S HA 0.774 5.244 4.470 -0.000 0.000 0.298 353 S C -1.323 173.042 174.600 -0.392 0.000 1.111 353 S CA -0.484 57.548 58.200 -0.280 0.000 1.027 353 S CB 0.650 63.777 63.200 -0.122 0.000 1.064 353 S HN 0.529 nan 8.310 nan 0.000 0.525 354 F N 0.421 120.419 119.950 0.081 0.000 2.579 354 F HA 0.715 5.242 4.527 -0.000 0.000 0.324 354 F C 1.158 176.955 175.800 -0.004 0.000 1.058 354 F CA 0.201 58.188 58.000 -0.021 0.000 0.944 354 F CB 0.996 39.962 39.000 -0.056 0.000 1.245 354 F HN 0.836 nan 8.300 nan 0.000 0.477 355 G N 1.768 110.656 108.800 0.148 0.000 2.543 355 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.286 355 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.286 355 G C -1.412 173.450 174.900 -0.063 0.000 1.153 355 G CA 0.067 45.165 45.100 -0.003 0.000 0.968 355 G HN 0.550 nan 8.290 nan 0.000 0.544 356 P HA 0.093 nan 4.420 nan 0.000 0.217 356 P C 2.024 179.206 177.300 -0.196 0.000 1.151 356 P CA 1.515 64.454 63.100 -0.268 0.000 0.828 356 P CB -0.104 31.286 31.700 -0.517 0.000 0.788 357 L N -1.639 119.480 121.223 -0.173 0.000 2.591 357 L HA 0.107 4.447 4.340 -0.000 0.000 0.228 357 L C 1.213 178.000 176.870 -0.138 0.000 1.133 357 L CA -0.349 54.377 54.840 -0.191 0.000 0.880 357 L CB -1.068 40.855 42.059 -0.226 0.000 1.033 357 L HN 0.025 nan 8.230 nan 0.000 0.450 358 H N 0.666 119.643 119.070 -0.156 0.000 3.046 358 H HA 0.277 4.833 4.556 -0.000 0.000 0.303 358 H C 1.157 176.390 175.328 -0.158 0.000 1.002 358 H CA 0.490 56.451 56.048 -0.145 0.000 1.460 358 H CB 0.531 30.259 29.762 -0.058 0.000 1.493 358 H HN 0.250 nan 8.280 nan 0.000 0.559 359 G N 4.716 113.146 108.800 -0.617 0.000 2.199 359 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 359 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 359 G C 1.209 175.859 174.900 -0.417 0.000 0.982 359 G CA 0.454 45.234 45.100 -0.534 0.000 0.632 359 G HN 0.578 nan 8.290 nan 0.000 0.529 360 K N -0.788 119.379 120.400 -0.389 0.000 2.387 360 K HA 0.468 4.788 4.320 -0.000 0.000 0.197 360 K C 0.580 176.903 176.600 -0.461 0.000 1.127 360 K CA 0.741 56.806 56.287 -0.370 0.000 0.950 360 K CB 1.214 33.546 32.500 -0.280 0.000 1.017 360 K HN 0.388 nan 8.250 nan 0.000 0.519 361 V N 1.663 121.301 119.914 -0.461 0.000 2.709 361 V HA 0.321 4.441 4.120 -0.000 0.000 0.308 361 V C -1.091 174.804 176.094 -0.331 0.000 1.062 361 V CA -1.025 61.036 62.300 -0.397 0.000 0.901 361 V CB 2.483 34.104 31.823 -0.336 0.000 1.003 361 V HN 0.121 nan 8.190 nan 0.000 0.425 362 W N 3.049 124.299 121.300 -0.083 0.000 2.449 362 W HA 0.603 5.263 4.660 0.000 0.000 0.331 362 W C 0.183 176.683 176.519 -0.032 0.000 1.119 362 W CA -0.916 56.389 57.345 -0.068 0.000 1.240 362 W CB 1.383 30.805 29.460 -0.063 0.000 1.251 362 W HN 0.374 nan 8.180 nan 0.000 0.576 363 R N 3.057 123.683 120.500 0.210 0.000 2.275 363 R HA 0.462 4.802 4.340 -0.000 0.000 0.326 363 R C -0.473 175.896 176.300 0.115 0.000 0.973 363 R CA -0.650 55.536 56.100 0.144 0.000 0.854 363 R CB 0.943 31.309 30.300 0.110 0.000 1.156 363 R HN 0.327 nan 8.270 nan 0.000 0.487 364 I N 2.041 122.673 120.570 0.103 0.000 2.321 364 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 364 I C 0.771 176.925 176.117 0.061 0.000 0.998 364 I CA -0.417 60.917 61.300 0.056 0.000 1.227 364 I CB 1.811 39.826 38.000 0.024 0.000 1.368 364 I HN 0.581 nan 8.210 nan 0.000 0.466 365 G N 2.960 111.793 108.800 0.054 0.000 2.400 365 G HA2 0.587 4.547 3.960 -0.000 0.000 0.333 365 G HA3 0.587 4.547 3.960 -0.000 0.000 0.333 365 G C -0.298 174.634 174.900 0.054 0.000 1.143 365 G CA -0.391 44.750 45.100 0.067 0.000 0.914 365 G HN 0.569 nan 8.290 nan 0.000 0.480 366 T N -0.088 114.513 114.554 0.078 0.000 3.317 366 T HA 0.588 4.938 4.350 -0.000 0.000 0.361 366 T C 0.044 174.820 174.700 0.126 0.000 1.499 366 T CA -0.559 61.580 62.100 0.065 0.000 1.529 366 T CB -0.137 68.771 68.868 0.066 0.000 0.997 366 T HN 0.398 nan 8.240 nan 0.000 0.624 367 M N 1.499 121.176 119.600 0.128 0.000 2.602 367 M HA 0.701 5.181 4.480 -0.000 0.000 0.312 367 M C 1.276 177.703 176.300 0.212 0.000 1.181 367 M CA -0.574 54.880 55.300 0.257 0.000 0.910 367 M CB 1.724 34.438 32.600 0.190 0.000 1.723 367 M HN 0.634 nan 8.290 nan 0.000 0.459 368 G N 0.982 110.021 108.800 0.397 0.000 2.685 368 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.329 368 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.329 368 G C 0.400 175.377 174.900 0.128 0.000 1.271 368 G CA 1.377 46.624 45.100 0.245 0.000 1.003 368 G HN 0.889 nan 8.290 nan 0.000 0.549 369 Y N 2.717 123.027 120.300 0.017 0.000 2.333 369 Y HA 0.004 4.554 4.550 -0.000 0.000 0.290 369 Y C 2.523 178.391 175.900 -0.054 0.000 1.144 369 Y CA 2.292 60.381 58.100 -0.018 0.000 1.228 369 Y CB -0.176 38.282 38.460 -0.003 0.000 0.985 369 Y HN 0.345 nan 8.280 nan 0.000 0.542 370 N N 0.300 118.935 118.700 -0.108 0.000 2.322 370 N HA 0.167 4.907 4.740 -0.000 0.000 0.194 370 N C -0.046 175.338 175.510 -0.211 0.000 1.126 370 N CA 0.711 53.637 53.050 -0.208 0.000 0.845 370 N CB 0.016 38.451 38.487 -0.086 0.000 0.976 370 N HN 0.253 nan 8.380 nan 0.000 0.475 371 A N 1.212 123.899 122.820 -0.221 0.000 3.056 371 A HA 0.329 4.649 4.320 -0.000 0.000 0.274 371 A C 0.343 177.601 177.584 -0.543 0.000 1.661 371 A CA -0.241 51.623 52.037 -0.287 0.000 1.363 371 A CB -0.256 18.514 19.000 -0.382 0.000 1.139 371 A HN 0.072 nan 8.150 nan 0.000 0.598 372 R N 0.036 120.098 120.500 -0.729 0.000 2.867 372 R HA 0.370 4.710 4.340 -0.000 0.000 0.268 372 R C 0.673 176.450 176.300 -0.872 0.000 1.014 372 R CA -0.802 54.748 56.100 -0.915 0.000 0.946 372 R CB 1.523 31.530 30.300 -0.488 0.000 1.208 372 R HN 0.470 nan 8.270 nan 0.000 0.477 373 K N 1.200 121.248 120.400 -0.587 0.000 2.026 373 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 373 K C 1.288 177.712 176.600 -0.294 0.000 1.048 373 K CA 2.325 58.404 56.287 -0.347 0.000 0.929 373 K CB -0.082 32.081 32.500 -0.561 0.000 0.713 373 K HN 0.681 nan 8.250 nan 0.000 0.439 374 D N 0.392 120.625 120.400 -0.278 0.000 2.178 374 D HA -0.182 4.458 4.640 -0.000 0.000 0.201 374 D C 1.873 178.061 176.300 -0.186 0.000 0.980 374 D CA 1.085 54.958 54.000 -0.212 0.000 0.842 374 D CB -0.746 39.950 40.800 -0.173 0.000 0.948 374 D HN 0.300 nan 8.370 nan 0.000 0.472 375 C N 0.501 119.671 119.300 -0.216 0.000 2.446 375 C HA -0.049 4.411 4.460 -0.000 0.000 0.277 375 C C 3.120 178.027 174.990 -0.138 0.000 1.275 375 C CA 0.295 59.206 59.018 -0.178 0.000 1.727 375 C CB -0.825 26.787 27.740 -0.212 0.000 2.010 375 C HN 0.238 nan 8.230 nan 0.000 0.486 376 V N 0.425 120.263 119.914 -0.127 0.000 2.261 376 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 376 V C 2.473 178.509 176.094 -0.096 0.000 1.047 376 V CA 2.025 64.285 62.300 -0.066 0.000 1.015 376 V CB -0.628 31.222 31.823 0.045 0.000 0.642 376 V HN 0.382 nan 8.190 nan 0.000 0.446 377 M N 0.221 119.738 119.600 -0.137 0.000 2.082 377 M HA -0.179 4.301 4.480 -0.000 0.000 0.258 377 M C 2.199 178.408 176.300 -0.150 0.000 1.069 377 M CA 2.185 57.368 55.300 -0.195 0.000 1.102 377 M CB -1.441 30.995 32.600 -0.273 0.000 1.336 377 M HN 0.385 nan 8.290 nan 0.000 0.404 378 T N -0.457 114.023 114.554 -0.125 0.000 2.821 378 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 378 T C 1.742 176.366 174.700 -0.127 0.000 1.046 378 T CA 1.852 63.896 62.100 -0.094 0.000 1.139 378 T CB -0.409 68.420 68.868 -0.066 0.000 0.871 378 T HN 0.438 nan 8.240 nan 0.000 0.454 379 T N 2.520 116.995 114.554 -0.132 0.000 2.737 379 T HA 0.095 4.445 4.350 -0.000 0.000 0.265 379 T C 2.032 176.625 174.700 -0.180 0.000 1.038 379 T CA 0.777 62.783 62.100 -0.157 0.000 1.144 379 T CB -0.473 68.323 68.868 -0.121 0.000 0.866 379 T HN 0.224 nan 8.240 nan 0.000 0.434 380 L N 1.651 122.790 121.223 -0.139 0.000 2.042 380 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 380 L C 3.007 179.798 176.870 -0.131 0.000 1.076 380 L CA 1.598 56.366 54.840 -0.120 0.000 0.749 380 L CB -0.800 41.204 42.059 -0.093 0.000 0.893 380 L HN 0.410 nan 8.230 nan 0.000 0.432 381 S N -0.007 115.611 115.700 -0.136 0.000 2.355 381 S HA -0.150 4.320 4.470 -0.000 0.000 0.222 381 S C 2.196 176.662 174.600 -0.223 0.000 1.031 381 S CA 0.798 58.930 58.200 -0.114 0.000 0.993 381 S CB -0.527 62.637 63.200 -0.060 0.000 0.859 381 S HN 0.336 nan 8.310 nan 0.000 0.453 382 A N 1.922 124.498 122.820 -0.407 0.000 1.902 382 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 382 A C 2.347 179.510 177.584 -0.701 0.000 1.181 382 A CA 1.417 52.868 52.037 -0.976 0.000 0.623 382 A CB -0.977 17.349 19.000 -1.122 0.000 0.818 382 A HN 0.540 nan 8.150 nan 0.000 0.443 383 L N -0.811 120.155 121.223 -0.427 0.000 1.989 383 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 383 L C 2.703 179.453 176.870 -0.200 0.000 1.071 383 L CA 2.261 56.907 54.840 -0.323 0.000 0.749 383 L CB -0.328 41.572 42.059 -0.264 0.000 0.890 383 L HN 0.649 nan 8.230 nan 0.000 0.431 384 E N -0.523 119.602 120.200 -0.126 0.000 2.110 384 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 384 E C 2.037 178.645 176.600 0.013 0.000 0.988 384 E CA 1.078 57.468 56.400 -0.016 0.000 0.804 384 E CB 0.002 29.709 29.700 0.012 0.000 0.745 384 E HN 0.562 nan 8.360 nan 0.000 0.458 385 A N 0.293 123.090 122.820 -0.039 0.000 1.877 385 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 385 A C 2.391 180.035 177.584 0.100 0.000 1.186 385 A CA 1.429 53.491 52.037 0.042 0.000 0.620 385 A CB -0.653 18.387 19.000 0.067 0.000 0.822 385 A HN 0.221 nan 8.150 nan 0.000 0.443 386 V N 0.091 120.016 119.914 0.018 0.000 2.307 386 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 386 V C 2.585 178.766 176.094 0.147 0.000 1.045 386 V CA 1.900 64.266 62.300 0.110 0.000 1.024 386 V CB -0.756 31.056 31.823 -0.019 0.000 0.651 386 V HN 0.559 nan 8.190 nan 0.000 0.449 387 L N 0.166 121.434 121.223 0.074 0.000 2.012 387 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 387 L C 2.482 179.493 176.870 0.235 0.000 1.073 387 L CA 1.700 56.620 54.840 0.133 0.000 0.748 387 L CB -0.760 41.373 42.059 0.123 0.000 0.891 387 L HN 0.382 nan 8.230 nan 0.000 0.431 388 N N -0.636 118.193 118.700 0.215 0.000 2.166 388 N HA -0.252 4.488 4.740 -0.000 0.000 0.186 388 N C 1.684 177.313 175.510 0.198 0.000 1.019 388 N CA 1.309 54.474 53.050 0.191 0.000 0.856 388 N CB -0.488 38.089 38.487 0.151 0.000 0.993 388 N HN 0.408 nan 8.380 nan 0.000 0.426 389 Y N 0.369 120.722 120.300 0.089 0.000 2.293 389 Y HA -0.051 4.499 4.550 0.000 0.000 0.291 389 Y C 1.162 177.109 175.900 0.079 0.000 1.137 389 Y CA 0.733 58.880 58.100 0.079 0.000 1.202 389 Y CB 0.073 38.582 38.460 0.083 0.000 0.990 389 Y HN -0.078 nan 8.280 nan 0.000 0.537 390 L N 1.552 122.784 121.223 0.015 0.000 2.645 390 L HA 0.067 4.407 4.340 -0.000 0.000 0.234 390 L C 0.381 177.268 176.870 0.028 0.000 1.165 390 L CA 0.668 55.479 54.840 -0.049 0.000 0.944 390 L CB -1.098 40.984 42.059 0.040 0.000 1.149 390 L HN 0.155 nan 8.230 nan 0.000 0.446 391 K N -1.470 118.957 120.400 0.046 0.000 3.117 391 K HA -0.268 4.052 4.320 -0.000 0.000 0.269 391 K C -0.022 176.657 176.600 0.131 0.000 1.098 391 K CA 0.534 56.858 56.287 0.061 0.000 0.785 391 K CB -2.038 30.471 32.500 0.015 0.000 1.242 391 K HN 0.172 nan 8.250 nan 0.000 0.491 392 F N 1.545 121.510 119.950 0.025 0.000 2.332 392 F HA 0.372 4.899 4.527 -0.000 0.000 0.368 392 F C -2.288 173.535 175.800 0.037 0.000 1.110 392 F CA -2.622 55.399 58.000 0.035 0.000 1.087 392 F CB 0.996 40.027 39.000 0.053 0.000 1.235 392 F HN -0.207 nan 8.300 nan 0.000 0.470 393 P HA 0.204 nan 4.420 nan 0.000 0.271 393 P C -0.968 176.087 177.300 -0.409 0.000 1.220 393 P CA 0.070 62.973 63.100 -0.329 0.000 0.768 393 P CB 0.900 32.436 31.700 -0.274 0.000 0.848 394 T N -1.198 113.272 114.554 -0.139 0.000 2.903 394 T HA 0.421 4.771 4.350 -0.000 0.000 0.299 394 T C -0.393 174.298 174.700 -0.015 0.000 1.093 394 T CA -0.812 61.260 62.100 -0.047 0.000 1.002 394 T CB 0.623 69.536 68.868 0.076 0.000 1.127 394 T HN 0.082 nan 8.240 nan 0.000 0.488 395 T N 2.698 117.254 114.554 0.003 0.000 2.799 395 T HA 0.149 4.499 4.350 -0.000 0.000 0.296 395 T C 0.402 175.122 174.700 0.033 0.000 0.947 395 T CA -0.099 62.009 62.100 0.013 0.000 1.141 395 T CB 0.351 69.229 68.868 0.018 0.000 0.891 395 T HN 0.709 nan 8.240 nan 0.000 0.533 396 Q N 2.031 121.850 119.800 0.031 0.000 2.264 396 Q HA 0.213 4.553 4.340 -0.000 0.000 0.296 396 Q C 1.378 177.412 176.000 0.056 0.000 1.103 396 Q CA 1.129 56.958 55.803 0.044 0.000 0.967 396 Q CB -0.326 28.434 28.738 0.036 0.000 1.090 396 Q HN 1.066 nan 8.270 nan 0.000 0.379 397 G N 2.647 111.492 108.800 0.075 0.000 2.184 397 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.264 397 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.264 397 G C 0.736 175.702 174.900 0.111 0.000 0.975 397 G CA 0.540 45.701 45.100 0.101 0.000 0.642 397 G HN 0.873 nan 8.290 nan 0.000 0.536 398 A N 0.234 123.106 122.820 0.086 0.000 1.930 398 A HA 0.449 4.769 4.320 -0.000 0.000 0.217 398 A C 2.811 180.449 177.584 0.091 0.000 1.175 398 A CA 2.540 54.626 52.037 0.082 0.000 0.627 398 A CB -0.779 18.258 19.000 0.061 0.000 0.815 398 A HN 1.749 nan 8.150 nan 0.000 0.443 399 A N -0.986 121.884 122.820 0.084 0.000 1.898 399 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 399 A C 2.124 179.751 177.584 0.072 0.000 1.181 399 A CA 1.870 53.947 52.037 0.067 0.000 0.620 399 A CB -0.421 18.610 19.000 0.052 0.000 0.819 399 A HN 0.398 nan 8.150 nan 0.000 0.442 400 M N -0.917 118.749 119.600 0.109 0.000 2.254 400 M HA -0.089 4.391 4.480 -0.000 0.000 0.265 400 M C 2.184 178.679 176.300 0.325 0.000 1.066 400 M CA 1.616 57.000 55.300 0.140 0.000 1.123 400 M CB -1.157 31.581 32.600 0.230 0.000 1.388 400 M HN 0.608 nan 8.290 nan 0.000 0.425 401 Q N 0.788 120.772 119.800 0.307 0.000 2.050 401 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 401 Q C 1.992 178.145 176.000 0.253 0.000 0.980 401 Q CA 2.563 58.548 55.803 0.304 0.000 0.840 401 Q CB -0.448 28.394 28.738 0.173 0.000 0.898 401 Q HN 0.444 nan 8.270 nan 0.000 0.424 402 A N 0.010 122.927 122.820 0.162 0.000 2.015 402 A HA 0.046 4.366 4.320 -0.000 0.000 0.219 402 A C 2.220 179.872 177.584 0.115 0.000 1.163 402 A CA 1.637 53.745 52.037 0.119 0.000 0.646 402 A CB -0.946 18.095 19.000 0.069 0.000 0.806 402 A HN 0.521 nan 8.150 nan 0.000 0.448 403 A N -1.292 121.587 122.820 0.098 0.000 1.872 403 A HA -0.100 4.220 4.320 -0.000 0.000 0.214 403 A C 2.057 179.760 177.584 0.197 0.000 1.187 403 A CA 1.140 53.207 52.037 0.050 0.000 0.614 403 A CB -0.732 18.250 19.000 -0.030 0.000 0.826 403 A HN 0.723 nan 8.150 nan 0.000 0.442 404 W N 0.925 122.339 121.300 0.190 0.000 2.358 404 W HA -0.122 4.538 4.660 -0.000 0.000 0.303 404 W C 1.597 178.210 176.519 0.158 0.000 1.208 404 W CA 1.738 59.201 57.345 0.196 0.000 1.274 404 W CB -0.723 28.806 29.460 0.115 0.000 1.138 404 W HN 0.418 nan 8.180 nan 0.000 0.515 405 D N -1.910 118.693 120.400 0.339 0.000 2.144 405 D HA -0.191 4.449 4.640 -0.000 0.000 0.199 405 D C 1.998 178.386 176.300 0.146 0.000 0.984 405 D CA 1.380 55.500 54.000 0.200 0.000 0.834 405 D CB -0.710 40.178 40.800 0.146 0.000 0.955 405 D HN 0.264 nan 8.370 nan 0.000 0.465 406 H N -0.527 118.560 119.070 0.028 0.000 2.357 406 H HA -0.134 4.422 4.556 -0.000 0.000 0.301 406 H C 1.614 176.877 175.328 -0.108 0.000 1.082 406 H CA 1.165 57.154 56.048 -0.097 0.000 1.342 406 H CB 0.004 29.625 29.762 -0.234 0.000 1.389 406 H HN 0.182 nan 8.280 nan 0.000 0.511 407 Y N 0.350 120.731 120.300 0.135 0.000 2.439 407 Y HA -0.128 4.422 4.550 0.000 0.000 0.292 407 Y C 3.027 178.955 175.900 0.046 0.000 1.130 407 Y CA 0.827 58.972 58.100 0.074 0.000 1.254 407 Y CB -0.205 38.314 38.460 0.098 0.000 1.000 407 Y HN -0.011 nan 8.280 nan 0.000 0.554 408 R N -0.999 119.625 120.500 0.206 0.000 2.062 408 R HA -0.065 4.275 4.340 -0.000 0.000 0.229 408 R C 2.453 178.776 176.300 0.038 0.000 1.128 408 R CA 1.209 57.384 56.100 0.125 0.000 0.960 408 R CB -1.186 29.189 30.300 0.125 0.000 0.855 408 R HN 0.344 nan 8.270 nan 0.000 0.432 409 S N 0.344 116.033 115.700 -0.019 0.000 2.383 409 S HA -0.144 4.326 4.470 -0.000 0.000 0.227 409 S C 2.457 176.991 174.600 -0.110 0.000 1.026 409 S CA 1.423 59.578 58.200 -0.075 0.000 0.981 409 S CB -0.375 62.752 63.200 -0.121 0.000 0.818 409 S HN 0.794 nan 8.310 nan 0.000 0.472 410 E N 1.313 121.416 120.200 -0.161 0.000 2.338 410 E HA 0.043 4.393 4.350 -0.000 0.000 0.197 410 E C 1.237 177.811 176.600 -0.044 0.000 1.007 410 E CA 1.208 57.523 56.400 -0.142 0.000 0.849 410 E CB -0.982 28.617 29.700 -0.169 0.000 0.774 410 E HN 0.747 nan 8.360 nan 0.000 0.506 411 R N 0.000 120.495 120.500 -0.008 0.000 2.786 411 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 411 R CA 0.000 56.105 56.100 0.008 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