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 2bs9_1_C DATA FIRST_RESID 2 DATA SEQUENCE GVVNVPSNGR EKFKKNWKFC VGTGRLGLAL QKEYLDHLKL VQEKIGFRYI DATA SEQUENCE RGHGLLSDDV GIYREVEIDG EMKPFYNFTY IDRIVDSYLA LNIRPFIEFG DATA SEQUENCE FMPKALASGD QTVFYWKGNV TPPKDYNKWR DLIVAVVSHF IERYGIEEVR DATA SEQUENCE TWLFEVWNEP NLVNFWKDAN KQEYFKLYEV TARAVKSVDP HLQVGGPAIC DATA SEQUENCE GGSDEWITDF LHFCAERRVP VDFVSRHAYT SKAPHKKTFE YYYQELEPPE DATA SEQUENCE DMLEQFKTVR ALIRQSPFPH LPLHITEYNT SYSPINPVHD TALNAAYIAR DATA SEQUENCE ILSEGGDYVD SFSYWTFSDV FEEMDVPKAL FHGGFGLVAL HSIPKPTFHA DATA SEQUENCE FTFFNALGDE LLYRDGEMIV TRRKDGSIAA VLWNLVMEKG EGLTKEVQLV DATA SEQUENCE IPVSESAVFI KRQIVNEQYG NAWRVWKQMG RPRFPSRQAV ETLRQVAQPH DATA SEQUENCE VMTEQRRATD GVIHLSIVLS KNEVTLIEIE QVRDETSTYV GLDDGEITSY DATA SEQUENCE S 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 2 G C 0.000 174.882 174.900 -0.031 0.000 0.946 2 G CA 0.000 45.086 45.100 -0.024 0.000 0.502 3 V N 0.177 120.071 119.914 -0.034 0.000 2.532 3 V HA 0.679 4.799 4.120 0.001 0.000 0.295 3 V C -0.137 175.905 176.094 -0.086 0.000 1.041 3 V CA -0.746 61.529 62.300 -0.041 0.000 0.926 3 V CB 1.452 33.257 31.823 -0.029 0.000 0.992 3 V HN 0.595 nan 8.190 nan 0.000 0.457 4 V N 3.710 123.544 119.914 -0.133 0.000 2.378 4 V HA 0.360 4.480 4.120 0.001 0.000 0.288 4 V C -0.021 175.921 176.094 -0.254 0.000 1.016 4 V CA -0.706 61.436 62.300 -0.264 0.000 0.840 4 V CB 1.444 33.027 31.823 -0.400 0.000 0.994 4 V HN 0.857 nan 8.190 nan 0.000 0.431 5 N N 3.795 122.354 118.700 -0.235 0.000 2.439 5 N HA 0.202 4.943 4.740 0.001 0.000 0.243 5 N C -0.306 175.068 175.510 -0.227 0.000 1.088 5 N CA -0.127 52.817 53.050 -0.176 0.000 0.940 5 N CB 1.864 40.286 38.487 -0.109 0.000 1.180 5 N HN 0.407 nan 8.380 nan 0.000 0.505 6 V N 5.175 124.963 119.914 -0.210 0.000 2.446 6 V HA 0.082 4.202 4.120 0.001 0.000 0.276 6 V C -1.749 174.308 176.094 -0.062 0.000 1.030 6 V CA -1.080 61.126 62.300 -0.157 0.000 1.033 6 V CB 0.378 32.132 31.823 -0.116 0.000 0.993 6 V HN 0.441 nan 8.190 nan 0.000 0.477 7 P HA 0.102 nan 4.420 nan 0.000 0.269 7 P C 0.822 178.127 177.300 0.008 0.000 1.209 7 P CA -0.051 63.054 63.100 0.008 0.000 0.776 7 P CB 0.636 32.360 31.700 0.040 0.000 0.876 8 S N 0.902 116.604 115.700 0.004 0.000 2.428 8 S HA -0.004 4.466 4.470 0.001 0.000 0.230 8 S C 0.699 175.307 174.600 0.013 0.000 1.014 8 S CA 0.670 58.873 58.200 0.004 0.000 0.957 8 S CB -0.422 62.779 63.200 0.001 0.000 0.784 8 S HN 0.384 nan 8.310 nan 0.000 0.499 9 N N 0.645 119.356 118.700 0.018 0.000 2.238 9 N HA 0.626 5.366 4.740 0.001 0.000 0.302 9 N C -0.826 174.703 175.510 0.032 0.000 1.072 9 N CA -0.253 52.811 53.050 0.023 0.000 0.792 9 N CB 1.987 40.486 38.487 0.020 0.000 1.425 9 N HN 0.361 nan 8.380 nan 0.000 0.478 10 G N 0.492 109.313 108.800 0.035 0.000 2.513 10 G HA2 0.282 4.242 3.960 0.001 0.000 0.317 10 G HA3 0.282 4.242 3.960 0.001 0.000 0.317 10 G C 0.658 175.581 174.900 0.038 0.000 1.277 10 G CA -0.335 44.790 45.100 0.041 0.000 0.955 10 G HN 0.308 nan 8.290 nan 0.000 0.484 11 R N 0.308 120.829 120.500 0.036 0.000 2.062 11 R HA 0.025 4.365 4.340 0.001 0.000 0.229 11 R C 0.498 176.821 176.300 0.038 0.000 1.128 11 R CA 0.785 56.905 56.100 0.032 0.000 0.960 11 R CB 0.015 30.332 30.300 0.028 0.000 0.855 11 R HN 0.514 nan 8.270 nan 0.000 0.432 12 E N 1.379 121.605 120.200 0.043 0.000 2.318 12 E HA 0.193 4.543 4.350 0.001 0.000 0.265 12 E C -0.194 176.450 176.600 0.074 0.000 1.069 12 E CA -0.163 56.268 56.400 0.051 0.000 0.893 12 E CB 1.043 30.772 29.700 0.048 0.000 1.076 12 E HN -0.068 nan 8.360 nan 0.000 0.414 13 K N 1.457 121.906 120.400 0.082 0.000 2.185 13 K HA 0.256 4.576 4.320 0.001 0.000 0.269 13 K C -0.423 176.280 176.600 0.171 0.000 0.987 13 K CA -0.749 55.603 56.287 0.109 0.000 0.865 13 K CB 1.070 33.612 32.500 0.070 0.000 1.090 13 K HN 0.312 nan 8.250 nan 0.000 0.450 14 F N 4.154 124.143 119.950 0.066 0.000 2.445 14 F HA 0.170 4.698 4.527 0.000 0.000 0.359 14 F C 0.098 175.992 175.800 0.157 0.000 1.101 14 F CA -0.362 57.698 58.000 0.099 0.000 1.177 14 F CB 0.393 39.446 39.000 0.087 0.000 1.110 14 F HN 0.306 nan 8.300 nan 0.000 0.522 15 K N 5.571 125.717 120.400 -0.423 0.000 2.107 15 K HA 0.223 4.543 4.320 0.001 0.000 0.251 15 K C 0.571 176.962 176.600 -0.348 0.000 1.012 15 K CA -0.665 55.458 56.287 -0.274 0.000 0.920 15 K CB 0.806 33.231 32.500 -0.124 0.000 1.033 15 K HN 0.574 nan 8.250 nan 0.000 0.478 16 K N 1.442 121.761 120.400 -0.135 0.000 2.437 16 K HA 0.019 4.340 4.320 0.001 0.000 0.198 16 K C 0.430 176.905 176.600 -0.207 0.000 1.024 16 K CA 0.039 56.230 56.287 -0.159 0.000 1.148 16 K CB 0.007 32.437 32.500 -0.117 0.000 0.860 16 K HN 0.422 nan 8.250 nan 0.000 0.515 17 N N 1.700 120.377 118.700 -0.039 0.000 2.137 17 N HA -0.203 4.537 4.740 0.001 0.000 0.190 17 N C 1.444 176.984 175.510 0.051 0.000 1.017 17 N CA 1.288 54.380 53.050 0.071 0.000 0.859 17 N CB -0.260 38.341 38.487 0.190 0.000 1.002 17 N HN 0.534 nan 8.380 nan 0.000 0.428 18 W N 1.992 123.268 121.300 -0.039 0.000 2.421 18 W HA -0.073 4.587 4.660 0.000 0.000 0.270 18 W C 0.390 176.818 176.519 -0.151 0.000 1.233 18 W CA 0.836 57.966 57.345 -0.358 0.000 1.226 18 W CB -0.469 28.961 29.460 -0.051 0.000 1.121 18 W HN 0.228 nan 8.180 nan 0.000 0.579 19 K N -0.915 118.981 120.400 -0.840 0.000 2.564 19 K HA 0.133 4.454 4.320 0.001 0.000 0.205 19 K C 1.171 177.678 176.600 -0.155 0.000 1.053 19 K CA -0.553 55.354 56.287 -0.633 0.000 1.072 19 K CB -1.029 30.538 32.500 -1.555 0.000 0.822 19 K HN -0.081 nan 8.250 nan 0.000 0.497 20 F N 1.290 121.136 119.950 -0.173 0.000 2.161 20 F HA -0.069 4.458 4.527 0.001 0.000 0.300 20 F C 0.463 176.332 175.800 0.116 0.000 1.089 20 F CA 0.640 58.635 58.000 -0.009 0.000 1.282 20 F CB 0.267 39.271 39.000 0.007 0.000 1.010 20 F HN 0.281 nan 8.300 nan 0.000 0.485 21 C N 0.083 119.513 119.300 0.217 0.000 3.082 21 C HA 0.706 5.166 4.460 0.001 0.000 0.324 21 C C -1.030 173.876 174.990 -0.139 0.000 1.210 21 C CA -0.913 58.133 59.018 0.046 0.000 1.366 21 C CB 0.746 28.593 27.740 0.178 0.000 1.756 21 C HN 0.039 nan 8.230 nan 0.000 0.485 22 V N 3.891 123.534 119.914 -0.451 0.000 3.007 22 V HA 0.915 5.036 4.120 0.001 0.000 0.311 22 V C 0.429 176.288 176.094 -0.392 0.000 1.120 22 V CA 0.568 62.469 62.300 -0.666 0.000 0.980 22 V CB 2.184 33.044 31.823 -1.604 0.000 1.033 22 V HN 1.258 nan 8.190 nan 0.000 0.429 23 G N 1.697 110.351 108.800 -0.243 0.000 2.504 23 G HA2 0.599 4.559 3.960 0.001 0.000 0.288 23 G HA3 0.599 4.559 3.960 0.001 0.000 0.288 23 G C -0.411 174.361 174.900 -0.214 0.000 1.182 23 G CA 0.212 45.243 45.100 -0.115 0.000 0.894 23 G HN 1.043 nan 8.290 nan 0.000 0.521 24 T N -1.482 112.885 114.554 -0.311 0.000 2.868 24 T HA 0.626 4.976 4.350 0.001 0.000 0.306 24 T C 0.658 175.174 174.700 -0.306 0.000 1.224 24 T CA 0.349 62.373 62.100 -0.127 0.000 1.012 24 T CB 1.128 70.119 68.868 0.205 0.000 1.221 24 T HN 1.006 nan 8.240 nan 0.000 0.499 25 G N 1.802 110.595 108.800 -0.012 0.000 2.712 25 G HA2 0.398 4.358 3.960 0.001 0.000 0.258 25 G HA3 0.398 4.358 3.960 0.001 0.000 0.258 25 G C 0.189 175.027 174.900 -0.105 0.000 1.241 25 G CA -0.631 44.436 45.100 -0.056 0.000 0.923 25 G HN 1.056 nan 8.290 nan 0.000 0.548 26 R N -0.332 120.006 120.500 -0.270 0.000 2.734 26 R HA 0.117 4.457 4.340 0.001 0.000 0.266 26 R C 0.972 177.129 176.300 -0.238 0.000 1.044 26 R CA -0.661 55.281 56.100 -0.262 0.000 1.128 26 R CB 0.360 30.252 30.300 -0.682 0.000 1.010 26 R HN 0.351 nan 8.270 nan 0.000 0.461 27 L N 2.276 123.403 121.223 -0.160 0.000 2.127 27 L HA -0.122 4.218 4.340 0.001 0.000 0.211 27 L C 2.399 179.103 176.870 -0.277 0.000 1.089 27 L CA 2.159 56.910 54.840 -0.148 0.000 0.757 27 L CB -1.156 40.877 42.059 -0.044 0.000 0.899 27 L HN 1.075 nan 8.230 nan 0.000 0.434 28 G N 0.003 108.634 108.800 -0.281 0.000 2.462 28 G HA2 -0.213 3.748 3.960 0.001 0.000 0.220 28 G HA3 -0.213 3.748 3.960 0.001 0.000 0.220 28 G C 1.665 176.335 174.900 -0.383 0.000 1.121 28 G CA 0.278 45.192 45.100 -0.310 0.000 0.758 28 G HN 0.306 nan 8.290 nan 0.000 0.559 29 L N 0.495 121.480 121.223 -0.396 0.000 2.275 29 L HA 0.031 4.372 4.340 0.001 0.000 0.215 29 L C 3.227 179.717 176.870 -0.632 0.000 1.119 29 L CA 0.542 55.158 54.840 -0.374 0.000 0.790 29 L CB -0.279 41.647 42.059 -0.223 0.000 0.919 29 L HN 0.291 nan 8.230 nan 0.000 0.443 30 A N 0.428 122.651 122.820 -0.994 0.000 2.131 30 A HA -0.139 4.181 4.320 0.001 0.000 0.220 30 A C 2.150 179.357 177.584 -0.627 0.000 1.158 30 A CA 1.143 52.341 52.037 -1.398 0.000 0.665 30 A CB -0.601 17.802 19.000 -0.995 0.000 0.795 30 A HN 0.439 nan 8.150 nan 0.000 0.460 31 L N -0.564 120.376 121.223 -0.471 0.000 2.362 31 L HA -0.109 4.231 4.340 0.001 0.000 0.219 31 L C 1.073 177.818 176.870 -0.208 0.000 1.134 31 L CA 0.287 54.929 54.840 -0.329 0.000 0.807 31 L CB -0.536 41.266 42.059 -0.427 0.000 0.927 31 L HN 0.462 nan 8.230 nan 0.000 0.447 32 Q N 0.425 120.120 119.800 -0.175 0.000 2.352 32 Q HA -0.004 4.336 4.340 0.001 0.000 0.260 32 Q C 0.905 176.920 176.000 0.025 0.000 0.976 32 Q CA -0.032 55.735 55.803 -0.061 0.000 0.881 32 Q CB 1.352 30.071 28.738 -0.032 0.000 1.235 32 Q HN 0.097 nan 8.270 nan 0.000 0.419 33 K N 1.924 122.336 120.400 0.020 0.000 2.026 33 K HA -0.256 4.065 4.320 0.001 0.000 0.208 33 K C 1.634 178.295 176.600 0.102 0.000 1.048 33 K CA 1.698 58.016 56.287 0.052 0.000 0.929 33 K CB 0.163 32.682 32.500 0.030 0.000 0.713 33 K HN 0.538 nan 8.250 nan 0.000 0.439 34 E N 0.075 120.321 120.200 0.077 0.000 2.070 34 E HA -0.256 4.094 4.350 0.001 0.000 0.197 34 E C 1.780 178.503 176.600 0.204 0.000 1.004 34 E CA 1.742 58.203 56.400 0.101 0.000 0.805 34 E CB -0.463 29.205 29.700 -0.053 0.000 0.744 34 E HN 0.425 nan 8.360 nan 0.000 0.451 35 Y N 0.341 120.648 120.300 0.013 0.000 2.114 35 Y HA -0.227 4.323 4.550 0.001 0.000 0.282 35 Y C 1.953 177.999 175.900 0.243 0.000 1.165 35 Y CA 2.046 60.201 58.100 0.091 0.000 1.148 35 Y CB -0.130 38.364 38.460 0.058 0.000 0.972 35 Y HN 0.067 nan 8.280 nan 0.000 0.504 36 L N -0.316 121.156 121.223 0.416 0.000 2.217 36 L HA -0.181 4.159 4.340 0.001 0.000 0.211 36 L C 1.878 178.852 176.870 0.174 0.000 1.107 36 L CA 1.043 56.055 54.840 0.287 0.000 0.783 36 L CB -0.543 41.630 42.059 0.190 0.000 0.919 36 L HN 0.247 nan 8.230 nan 0.000 0.442 37 D N -0.806 119.690 120.400 0.160 0.000 2.117 37 D HA -0.176 4.465 4.640 0.001 0.000 0.197 37 D C 2.128 178.404 176.300 -0.040 0.000 0.987 37 D CA 1.183 55.215 54.000 0.052 0.000 0.829 37 D CB -0.172 40.645 40.800 0.027 0.000 0.961 37 D HN 0.395 nan 8.370 nan 0.000 0.460 38 H N 0.157 119.254 119.070 0.046 0.000 2.357 38 H HA -0.005 4.551 4.556 0.001 0.000 0.301 38 H C 2.421 177.882 175.328 0.222 0.000 1.082 38 H CA 0.455 56.546 56.048 0.072 0.000 1.342 38 H CB -0.056 29.656 29.762 -0.083 0.000 1.389 38 H HN 0.135 nan 8.280 nan 0.000 0.511 39 L N 0.924 122.326 121.223 0.298 0.000 2.046 39 L HA -0.195 4.145 4.340 0.001 0.000 0.208 39 L C 2.713 179.590 176.870 0.013 0.000 1.077 39 L CA 1.263 56.106 54.840 0.006 0.000 0.747 39 L CB -0.212 41.768 42.059 -0.131 0.000 0.896 39 L HN 0.182 nan 8.230 nan 0.000 0.432 40 K N -0.175 120.249 120.400 0.039 0.000 2.032 40 K HA -0.265 4.055 4.320 0.001 0.000 0.209 40 K C 2.125 178.748 176.600 0.037 0.000 1.048 40 K CA 1.593 57.893 56.287 0.023 0.000 0.927 40 K CB -0.163 32.350 32.500 0.021 0.000 0.712 40 K HN 0.120 nan 8.250 nan 0.000 0.441 41 L N 0.953 122.201 121.223 0.041 0.000 2.012 41 L HA -0.159 4.181 4.340 0.001 0.000 0.210 41 L C 2.035 179.030 176.870 0.209 0.000 1.073 41 L CA 1.495 56.386 54.840 0.085 0.000 0.748 41 L CB -0.470 41.584 42.059 -0.009 0.000 0.891 41 L HN 0.022 nan 8.230 nan 0.000 0.431 42 V N -0.607 119.445 119.914 0.230 0.000 2.427 42 V HA -0.236 3.885 4.120 0.001 0.000 0.248 42 V C 2.576 178.722 176.094 0.087 0.000 1.051 42 V CA 1.515 63.963 62.300 0.246 0.000 1.048 42 V CB -0.551 31.445 31.823 0.288 0.000 0.666 42 V HN 0.524 nan 8.190 nan 0.000 0.456 43 Q N -0.479 119.340 119.800 0.032 0.000 2.245 43 Q HA -0.113 4.227 4.340 0.001 0.000 0.201 43 Q C 2.145 178.126 176.000 -0.031 0.000 0.955 43 Q CA 1.038 56.822 55.803 -0.031 0.000 0.870 43 Q CB -0.041 28.660 28.738 -0.062 0.000 0.945 43 Q HN 0.707 nan 8.270 nan 0.000 0.461 44 E N -0.023 120.184 120.200 0.011 0.000 2.112 44 E HA -0.080 4.270 4.350 0.001 0.000 0.190 44 E C 1.566 178.183 176.600 0.029 0.000 0.979 44 E CA 0.605 57.018 56.400 0.022 0.000 0.814 44 E CB 0.334 30.061 29.700 0.045 0.000 0.762 44 E HN 0.044 nan 8.360 nan 0.000 0.460 45 K N -0.193 120.234 120.400 0.045 0.000 2.334 45 K HA 0.226 4.546 4.320 0.001 0.000 0.195 45 K C 0.549 177.107 176.600 -0.071 0.000 1.045 45 K CA 0.363 56.671 56.287 0.034 0.000 1.004 45 K CB 0.972 33.547 32.500 0.125 0.000 0.837 45 K HN 0.090 nan 8.250 nan 0.000 0.510 46 I N -0.050 120.423 120.570 -0.161 0.000 2.533 46 I HA 0.240 4.410 4.170 0.001 0.000 0.290 46 I C 0.552 176.434 176.117 -0.393 0.000 1.056 46 I CA -0.883 60.230 61.300 -0.312 0.000 1.057 46 I CB 2.260 39.936 38.000 -0.540 0.000 1.240 46 I HN -0.066 nan 8.210 nan 0.000 0.423 47 G N 5.868 114.420 108.800 -0.412 0.000 3.392 47 G HA2 0.187 4.147 3.960 0.001 0.000 0.247 47 G HA3 0.187 4.147 3.960 0.001 0.000 0.247 47 G C 0.029 174.692 174.900 -0.394 0.000 1.161 47 G CA -0.204 44.687 45.100 -0.349 0.000 1.739 47 G HN 0.369 nan 8.290 nan 0.000 0.619 48 F N -0.220 119.565 119.950 -0.275 0.000 2.578 48 F HA 0.185 4.713 4.527 0.001 0.000 0.376 48 F C 1.852 177.420 175.800 -0.388 0.000 1.085 48 F CA -0.152 57.650 58.000 -0.330 0.000 1.260 48 F CB 1.081 39.885 39.000 -0.327 0.000 1.095 48 F HN 0.108 nan 8.300 nan 0.000 0.573 49 R N 1.732 122.088 120.500 -0.240 0.000 2.080 49 R HA 0.056 4.396 4.340 0.001 0.000 0.222 49 R C -0.604 175.173 176.300 -0.872 0.000 1.107 49 R CA 0.812 56.590 56.100 -0.536 0.000 0.980 49 R CB 0.127 30.096 30.300 -0.553 0.000 0.879 49 R HN 0.510 nan 8.270 nan 0.000 0.439 50 Y N -0.909 119.078 120.300 -0.522 0.000 2.570 50 Y HA 0.512 5.062 4.550 0.000 0.000 0.345 50 Y C -0.656 174.954 175.900 -0.482 0.000 1.014 50 Y CA -1.074 56.702 58.100 -0.540 0.000 1.063 50 Y CB 2.035 40.139 38.460 -0.593 0.000 1.272 50 Y HN -0.155 nan 8.280 nan 0.000 0.477 51 I N 2.547 122.901 120.570 -0.360 0.000 2.512 51 I HA 0.458 4.628 4.170 0.001 0.000 0.287 51 I C -1.427 174.504 176.117 -0.311 0.000 1.069 51 I CA -0.712 60.308 61.300 -0.467 0.000 1.056 51 I CB 0.904 38.425 38.000 -0.799 0.000 1.229 51 I HN 0.529 nan 8.210 nan 0.000 0.429 52 R N 5.833 126.200 120.500 -0.222 0.000 2.480 52 R HA 0.820 5.160 4.340 0.001 0.000 0.306 52 R C -1.127 175.136 176.300 -0.061 0.000 0.958 52 R CA -0.497 55.510 56.100 -0.154 0.000 0.861 52 R CB 1.755 31.880 30.300 -0.292 0.000 1.171 52 R HN 0.871 nan 8.270 nan 0.000 0.445 53 G N 2.560 111.324 108.800 -0.059 0.000 2.608 53 G HA2 0.341 4.301 3.960 0.001 0.000 0.291 53 G HA3 0.341 4.301 3.960 0.001 0.000 0.291 53 G C -1.323 173.525 174.900 -0.086 0.000 1.425 53 G CA -0.617 44.438 45.100 -0.075 0.000 0.787 53 G HN 0.569 nan 8.290 nan 0.000 0.484 54 H N -0.970 118.228 119.070 0.214 0.000 2.509 54 H HA 0.562 5.119 4.556 0.001 0.000 0.359 54 H C 1.388 176.753 175.328 0.061 0.000 1.253 54 H CA 0.491 56.593 56.048 0.090 0.000 1.373 54 H CB 1.235 31.189 29.762 0.320 0.000 1.555 54 H HN 1.672 nan 8.280 nan 0.000 0.586 55 G N -0.123 108.789 108.800 0.187 0.000 2.175 55 G HA2 -0.298 3.663 3.960 0.001 0.000 0.244 55 G HA3 -0.298 3.663 3.960 0.001 0.000 0.244 55 G C 1.111 176.102 174.900 0.152 0.000 0.982 55 G CA 0.490 45.702 45.100 0.187 0.000 0.641 55 G HN 0.562 nan 8.290 nan 0.000 0.527 56 L N 0.463 121.782 121.223 0.159 0.000 1.997 56 L HA 0.058 4.399 4.340 0.001 0.000 0.216 56 L C 2.393 179.427 176.870 0.274 0.000 1.074 56 L CA 2.876 57.845 54.840 0.215 0.000 0.763 56 L CB -0.331 41.884 42.059 0.259 0.000 0.890 56 L HN 0.401 nan 8.230 nan 0.000 0.434 57 L N -1.015 120.401 121.223 0.321 0.000 2.592 57 L HA 0.137 4.477 4.340 0.001 0.000 0.227 57 L C 1.036 178.123 176.870 0.361 0.000 1.127 57 L CA -0.397 54.653 54.840 0.350 0.000 0.884 57 L CB -0.336 41.962 42.059 0.397 0.000 1.065 57 L HN 0.084 nan 8.230 nan 0.000 0.457 58 S N -0.295 115.620 115.700 0.357 0.000 2.624 58 S HA 0.037 4.507 4.470 0.001 0.000 0.263 58 S C 0.818 175.597 174.600 0.299 0.000 1.287 58 S CA -0.557 57.879 58.200 0.394 0.000 0.990 58 S CB 0.942 64.466 63.200 0.541 0.000 0.950 58 S HN 0.192 nan 8.310 nan 0.000 0.561 59 D N 1.024 121.598 120.400 0.291 0.000 2.323 59 D HA -0.083 4.557 4.640 0.001 0.000 0.209 59 D C 1.466 177.877 176.300 0.186 0.000 0.973 59 D CA 0.489 54.626 54.000 0.228 0.000 0.874 59 D CB -0.115 40.812 40.800 0.212 0.000 0.930 59 D HN 0.637 nan 8.370 nan 0.000 0.521 60 D N 0.982 121.483 120.400 0.168 0.000 2.097 60 D HA -0.140 4.500 4.640 0.001 0.000 0.195 60 D C 2.074 178.504 176.300 0.217 0.000 0.989 60 D CA 0.724 54.806 54.000 0.137 0.000 0.827 60 D CB -0.680 40.137 40.800 0.028 0.000 0.966 60 D HN 0.066 nan 8.370 nan 0.000 0.456 61 V N 0.394 120.420 119.914 0.186 0.000 2.427 61 V HA 0.032 4.153 4.120 0.001 0.000 0.248 61 V C 2.028 178.289 176.094 0.278 0.000 1.051 61 V CA 1.636 64.094 62.300 0.265 0.000 1.048 61 V CB -1.143 30.787 31.823 0.178 0.000 0.666 61 V HN 0.662 nan 8.190 nan 0.000 0.456 62 G N -0.537 108.386 108.800 0.205 0.000 2.149 62 G HA2 -0.269 3.691 3.960 0.001 0.000 0.235 62 G HA3 -0.269 3.691 3.960 0.001 0.000 0.235 62 G C 0.545 175.502 174.900 0.094 0.000 1.018 62 G CA 0.529 45.711 45.100 0.136 0.000 0.728 62 G HN 0.444 nan 8.290 nan 0.000 0.508 63 I N -1.161 119.490 120.570 0.135 0.000 2.163 63 I HA 0.003 4.173 4.170 0.001 0.000 0.240 63 I C 1.523 177.701 176.117 0.102 0.000 1.081 63 I CA 0.921 62.261 61.300 0.065 0.000 1.353 63 I CB -0.093 37.992 38.000 0.141 0.000 1.054 63 I HN 0.324 nan 8.210 nan 0.000 0.407 64 Y N 3.438 123.793 120.300 0.092 0.000 2.404 64 Y HA 0.349 4.899 4.550 0.001 0.000 0.344 64 Y C 0.034 175.958 175.900 0.040 0.000 0.995 64 Y CA -0.493 57.654 58.100 0.078 0.000 1.201 64 Y CB 0.103 38.651 38.460 0.146 0.000 1.151 64 Y HN -0.014 nan 8.280 nan 0.000 0.517 65 R N 4.258 124.433 120.500 -0.541 0.000 2.837 65 R HA 0.403 4.744 4.340 0.001 0.000 0.271 65 R C -1.039 174.878 176.300 -0.638 0.000 0.993 65 R CA -1.026 54.827 56.100 -0.412 0.000 0.931 65 R CB 1.946 32.141 30.300 -0.175 0.000 1.206 65 R HN 0.763 nan 8.270 nan 0.000 0.474 66 E N 0.447 120.435 120.200 -0.353 0.000 2.207 66 E HA 0.590 4.940 4.350 0.001 0.000 0.270 66 E C -1.026 175.471 176.600 -0.171 0.000 0.927 66 E CA -0.970 55.279 56.400 -0.251 0.000 0.799 66 E CB 2.709 32.340 29.700 -0.115 0.000 1.172 66 E HN 0.021 nan 8.360 nan 0.000 0.404 67 V N 2.133 121.963 119.914 -0.141 0.000 2.817 67 V HA 0.099 4.219 4.120 0.001 0.000 0.303 67 V C -1.167 174.875 176.094 -0.087 0.000 1.151 67 V CA -0.593 61.628 62.300 -0.132 0.000 0.929 67 V CB 2.168 33.892 31.823 -0.164 0.000 1.030 67 V HN 0.665 nan 8.190 nan 0.000 0.427 68 E N 5.426 125.580 120.200 -0.078 0.000 2.105 68 E HA 0.551 4.902 4.350 0.001 0.000 0.285 68 E C -1.197 175.376 176.600 -0.046 0.000 1.055 68 E CA -0.203 56.166 56.400 -0.052 0.000 0.843 68 E CB 0.747 30.421 29.700 -0.045 0.000 1.067 68 E HN 0.547 nan 8.360 nan 0.000 0.398 69 I N 4.134 124.685 120.570 -0.032 0.000 2.512 69 I HA 0.135 4.306 4.170 0.001 0.000 0.287 69 I C -0.316 175.793 176.117 -0.014 0.000 1.069 69 I CA -0.603 60.683 61.300 -0.023 0.000 1.056 69 I CB 1.799 39.790 38.000 -0.016 0.000 1.229 69 I HN 0.576 nan 8.210 nan 0.000 0.429 70 D N 5.286 125.679 120.400 -0.012 0.000 2.723 70 D HA -0.165 4.476 4.640 0.001 0.000 0.236 70 D C 1.023 177.319 176.300 -0.007 0.000 1.138 70 D CA 1.523 55.518 54.000 -0.007 0.000 0.676 70 D CB -0.408 40.391 40.800 -0.002 0.000 1.069 70 D HN 1.184 nan 8.370 nan 0.000 0.430 71 G N 0.778 109.572 108.800 -0.010 0.000 2.305 71 G HA2 -0.275 3.686 3.960 0.001 0.000 0.287 71 G HA3 -0.275 3.686 3.960 0.001 0.000 0.287 71 G C 0.012 174.909 174.900 -0.006 0.000 1.036 71 G CA 1.239 46.334 45.100 -0.009 0.000 0.887 71 G HN 0.729 nan 8.290 nan 0.000 0.505 72 E N -1.454 118.741 120.200 -0.008 0.000 2.390 72 E HA 0.678 5.028 4.350 0.001 0.000 0.277 72 E C -0.486 176.107 176.600 -0.011 0.000 0.939 72 E CA -1.585 54.813 56.400 -0.004 0.000 0.769 72 E CB 0.887 30.589 29.700 0.003 0.000 1.251 72 E HN -0.052 nan 8.360 nan 0.000 0.450 73 M N 2.086 121.682 119.600 -0.006 0.000 2.156 73 M HA 0.326 4.806 4.480 0.001 0.000 0.345 73 M C -0.428 175.864 176.300 -0.015 0.000 1.398 73 M CA 0.167 55.459 55.300 -0.014 0.000 1.148 73 M CB -0.332 32.268 32.600 0.000 0.000 1.663 73 M HN 0.475 nan 8.290 nan 0.000 0.464 74 K N 4.467 124.842 120.400 -0.042 0.000 2.340 74 K HA 0.655 4.975 4.320 0.001 0.000 0.244 74 K C -2.437 174.082 176.600 -0.134 0.000 0.973 74 K CA -1.691 54.566 56.287 -0.051 0.000 0.828 74 K CB 2.270 34.750 32.500 -0.033 0.000 1.226 74 K HN 0.295 nan 8.250 nan 0.000 0.437 75 P HA 0.153 nan 4.420 nan 0.000 0.280 75 P C -1.263 175.726 177.300 -0.519 0.000 1.244 75 P CA -0.129 62.685 63.100 -0.477 0.000 0.784 75 P CB 0.417 31.854 31.700 -0.438 0.000 0.913 76 F N 3.612 123.083 119.950 -0.798 0.000 2.518 76 F HA 0.460 4.988 4.527 0.001 0.000 0.323 76 F C -1.262 174.077 175.800 -0.768 0.000 1.129 76 F CA -0.924 56.699 58.000 -0.627 0.000 0.920 76 F CB 1.384 40.150 39.000 -0.391 0.000 1.160 76 F HN 0.189 nan 8.300 nan 0.000 0.440 77 Y N 4.602 124.383 120.300 -0.865 0.000 2.356 77 Y HA 0.302 4.852 4.550 0.001 0.000 0.334 77 Y C 0.041 175.218 175.900 -1.205 0.000 0.958 77 Y CA -0.889 56.687 58.100 -0.874 0.000 1.196 77 Y CB 0.772 38.730 38.460 -0.837 0.000 1.137 77 Y HN 0.484 nan 8.280 nan 0.000 0.485 78 N N 3.862 122.214 118.700 -0.581 0.000 2.462 78 N HA 0.183 4.924 4.740 0.001 0.000 0.242 78 N C -0.645 174.630 175.510 -0.392 0.000 1.010 78 N CA -0.243 52.606 53.050 -0.335 0.000 0.939 78 N CB 0.204 38.694 38.487 0.006 0.000 1.127 78 N HN 0.605 nan 8.380 nan 0.000 0.509 79 F N 1.000 120.879 119.950 -0.119 0.000 2.660 79 F HA 0.125 4.652 4.527 0.001 0.000 0.302 79 F C 1.999 177.791 175.800 -0.013 0.000 1.103 79 F CA -0.260 57.665 58.000 -0.124 0.000 1.340 79 F CB 0.445 39.148 39.000 -0.495 0.000 1.048 79 F HN 0.340 nan 8.300 nan 0.000 0.551 80 T N -0.477 114.125 114.554 0.080 0.000 2.684 80 T HA -0.226 4.124 4.350 0.001 0.000 0.267 80 T C 1.588 176.394 174.700 0.178 0.000 1.036 80 T CA 1.684 63.819 62.100 0.060 0.000 1.148 80 T CB -0.293 68.513 68.868 -0.104 0.000 0.863 80 T HN 0.196 nan 8.240 nan 0.000 0.436 81 Y N 1.258 121.613 120.300 0.091 0.000 2.206 81 Y HA 0.087 4.637 4.550 0.001 0.000 0.292 81 Y C 2.241 178.190 175.900 0.081 0.000 1.123 81 Y CA -0.431 57.705 58.100 0.059 0.000 1.142 81 Y CB -1.010 37.468 38.460 0.030 0.000 1.006 81 Y HN 0.248 nan 8.280 nan 0.000 0.518 82 I N -1.103 119.661 120.570 0.323 0.000 2.614 82 I HA -0.134 4.036 4.170 0.001 0.000 0.258 82 I C 1.633 177.945 176.117 0.325 0.000 1.189 82 I CA 0.845 62.324 61.300 0.298 0.000 1.462 82 I CB -0.990 37.281 38.000 0.450 0.000 1.092 82 I HN -0.085 nan 8.210 nan 0.000 0.442 83 D N 1.295 121.913 120.400 0.362 0.000 2.104 83 D HA -0.189 4.451 4.640 0.001 0.000 0.194 83 D C 2.317 178.755 176.300 0.230 0.000 0.994 83 D CA 1.295 55.505 54.000 0.349 0.000 0.830 83 D CB -0.274 40.702 40.800 0.292 0.000 0.959 83 D HN 0.358 nan 8.370 nan 0.000 0.452 84 R N 0.170 120.768 120.500 0.162 0.000 2.092 84 R HA -0.035 4.305 4.340 0.001 0.000 0.231 84 R C 2.380 178.656 176.300 -0.039 0.000 1.119 84 R CA 0.654 56.800 56.100 0.076 0.000 0.970 84 R CB -0.236 30.115 30.300 0.085 0.000 0.864 84 R HN 0.182 nan 8.270 nan 0.000 0.440 85 I N 0.114 120.620 120.570 -0.107 0.000 2.113 85 I HA -0.261 3.909 4.170 0.001 0.000 0.238 85 I C 2.248 178.029 176.117 -0.559 0.000 1.070 85 I CA 1.099 62.171 61.300 -0.379 0.000 1.332 85 I CB -0.159 37.615 38.000 -0.376 0.000 1.044 85 I HN -0.007 nan 8.210 nan 0.000 0.402 86 V N 0.561 120.297 119.914 -0.296 0.000 2.427 86 V HA -0.273 3.847 4.120 0.001 0.000 0.248 86 V C 1.994 178.001 176.094 -0.145 0.000 1.051 86 V CA 1.852 63.984 62.300 -0.279 0.000 1.048 86 V CB -0.745 30.974 31.823 -0.174 0.000 0.666 86 V HN 0.380 nan 8.190 nan 0.000 0.456 87 D N 0.730 121.158 120.400 0.046 0.000 2.116 87 D HA -0.180 4.460 4.640 0.001 0.000 0.193 87 D C 2.435 178.735 176.300 -0.000 0.000 0.998 87 D CA 2.012 56.068 54.000 0.093 0.000 0.836 87 D CB -0.316 40.561 40.800 0.128 0.000 0.951 87 D HN 0.595 nan 8.370 nan 0.000 0.449 88 S N -0.710 114.948 115.700 -0.070 0.000 2.406 88 S HA -0.163 4.308 4.470 0.001 0.000 0.228 88 S C 2.001 176.613 174.600 0.020 0.000 1.020 88 S CA 0.446 58.618 58.200 -0.046 0.000 0.965 88 S CB -0.543 62.611 63.200 -0.075 0.000 0.798 88 S HN 0.157 nan 8.310 nan 0.000 0.488 89 Y N 2.248 122.475 120.300 -0.121 0.000 2.070 89 Y HA 0.076 4.626 4.550 0.001 0.000 0.279 89 Y C 2.440 178.220 175.900 -0.200 0.000 1.134 89 Y CA 0.362 58.344 58.100 -0.197 0.000 1.113 89 Y CB -1.211 37.069 38.460 -0.301 0.000 0.981 89 Y HN 0.224 nan 8.280 nan 0.000 0.487 90 L N -0.670 120.537 121.223 -0.026 0.000 2.127 90 L HA -0.235 4.105 4.340 0.001 0.000 0.211 90 L C 2.505 179.354 176.870 -0.035 0.000 1.089 90 L CA 1.152 55.952 54.840 -0.067 0.000 0.757 90 L CB -0.828 41.190 42.059 -0.068 0.000 0.899 90 L HN 0.187 nan 8.230 nan 0.000 0.434 91 A N -0.379 122.437 122.820 -0.008 0.000 2.014 91 A HA -0.011 4.309 4.320 0.001 0.000 0.218 91 A C 1.890 179.465 177.584 -0.016 0.000 1.163 91 A CA 0.853 52.889 52.037 -0.002 0.000 0.652 91 A CB -0.289 18.719 19.000 0.014 0.000 0.808 91 A HN 0.406 nan 8.150 nan 0.000 0.449 92 L N -0.012 121.197 121.223 -0.023 0.000 2.728 92 L HA 0.130 4.470 4.340 0.001 0.000 0.235 92 L C -0.246 176.568 176.870 -0.094 0.000 1.197 92 L CA -0.342 54.472 54.840 -0.044 0.000 0.992 92 L CB -0.379 41.663 42.059 -0.029 0.000 1.263 92 L HN 0.351 nan 8.230 nan 0.000 0.484 93 N N 1.060 119.696 118.700 -0.105 0.000 2.721 93 N HA -0.223 4.517 4.740 0.001 0.000 0.249 93 N C -0.372 174.996 175.510 -0.237 0.000 1.072 93 N CA 0.977 53.936 53.050 -0.151 0.000 0.710 93 N CB -1.145 37.265 38.487 -0.128 0.000 0.993 93 N HN 0.421 nan 8.380 nan 0.000 0.547 94 I N -0.073 120.332 120.570 -0.276 0.000 2.730 94 I HA 0.428 4.598 4.170 0.001 0.000 0.298 94 I C -0.488 175.329 176.117 -0.499 0.000 1.089 94 I CA -0.813 60.230 61.300 -0.429 0.000 1.041 94 I CB 1.322 39.048 38.000 -0.457 0.000 1.235 94 I HN -0.046 nan 8.210 nan 0.000 0.423 95 R N 6.171 126.254 120.500 -0.694 0.000 2.854 95 R HA 0.574 4.914 4.340 0.001 0.000 0.271 95 R C -2.857 172.963 176.300 -0.799 0.000 0.996 95 R CA -2.126 53.509 56.100 -0.775 0.000 0.961 95 R CB 1.032 30.899 30.300 -0.721 0.000 1.182 95 R HN 0.262 nan 8.270 nan 0.000 0.479 96 P HA 0.081 nan 4.420 nan 0.000 0.276 96 P C -0.833 176.147 177.300 -0.533 0.000 1.235 96 P CA -0.022 62.621 63.100 -0.760 0.000 0.772 96 P CB 0.226 31.380 31.700 -0.909 0.000 0.871 97 F N 4.428 124.116 119.950 -0.437 0.000 2.567 97 F HA 0.253 4.780 4.527 0.001 0.000 0.352 97 F C 0.560 176.143 175.800 -0.362 0.000 1.229 97 F CA -1.097 56.661 58.000 -0.404 0.000 1.228 97 F CB -0.214 38.584 39.000 -0.337 0.000 1.568 97 F HN 0.168 nan 8.300 nan 0.000 0.634 98 I N 3.810 124.234 120.570 -0.244 0.000 2.845 98 I HA -0.120 4.051 4.170 0.001 0.000 0.296 98 I C 0.343 176.419 176.117 -0.069 0.000 1.216 98 I CA 1.028 62.179 61.300 -0.248 0.000 1.438 98 I CB 0.334 38.039 38.000 -0.492 0.000 1.342 98 I HN 0.503 nan 8.210 nan 0.000 0.577 99 E N 7.262 127.432 120.200 -0.050 0.000 2.220 99 E HA 0.258 4.608 4.350 0.001 0.000 0.256 99 E C -1.247 175.422 176.600 0.114 0.000 0.881 99 E CA -0.674 55.764 56.400 0.063 0.000 0.766 99 E CB 0.769 30.520 29.700 0.084 0.000 1.187 99 E HN 0.382 nan 8.360 nan 0.000 0.419 100 F N 3.444 123.624 119.950 0.382 0.000 2.494 100 F HA 0.399 4.926 4.527 0.001 0.000 0.351 100 F C 1.083 177.187 175.800 0.507 0.000 1.205 100 F CA 0.356 58.621 58.000 0.441 0.000 1.125 100 F CB 0.896 40.209 39.000 0.522 0.000 1.268 100 F HN 0.549 nan 8.300 nan 0.000 0.593 101 G N 2.260 111.350 108.800 0.482 0.000 2.356 101 G HA2 0.349 4.309 3.960 0.001 0.000 0.294 101 G HA3 0.349 4.309 3.960 0.001 0.000 0.294 101 G C -1.391 173.548 174.900 0.065 0.000 1.423 101 G CA -0.906 44.306 45.100 0.188 0.000 0.806 101 G HN 0.165 nan 8.290 nan 0.000 0.527 102 F N -0.404 119.722 119.950 0.293 0.000 2.192 102 F HA 0.753 5.280 4.527 0.001 0.000 0.269 102 F C 1.081 177.212 175.800 0.553 0.000 0.946 102 F CA -0.537 57.531 58.000 0.112 0.000 1.139 102 F CB 0.471 39.506 39.000 0.059 0.000 1.877 102 F HN 0.358 nan 8.300 nan 0.000 0.571 103 M N 2.548 122.678 119.600 0.884 0.000 2.146 103 M HA 0.333 4.814 4.480 0.001 0.000 0.352 103 M C -2.518 174.065 176.300 0.472 0.000 1.343 103 M CA -2.356 53.354 55.300 0.683 0.000 1.115 103 M CB 0.446 33.364 32.600 0.531 0.000 1.657 103 M HN -0.021 nan 8.290 nan 0.000 0.471 104 P HA 0.004 nan 4.420 nan 0.000 0.265 104 P C 0.135 177.590 177.300 0.257 0.000 1.193 104 P CA -0.082 63.211 63.100 0.322 0.000 0.765 104 P CB 0.506 32.377 31.700 0.286 0.000 0.823 105 K N 3.106 123.651 120.400 0.242 0.000 2.032 105 K HA -0.155 4.165 4.320 0.001 0.000 0.209 105 K C 1.751 178.451 176.600 0.167 0.000 1.048 105 K CA 2.014 58.409 56.287 0.180 0.000 0.927 105 K CB -0.910 31.680 32.500 0.152 0.000 0.712 105 K HN 0.514 nan 8.250 nan 0.000 0.441 106 A N 0.354 123.307 122.820 0.223 0.000 2.216 106 A HA -0.044 4.276 4.320 0.001 0.000 0.214 106 A C 1.890 179.618 177.584 0.241 0.000 1.160 106 A CA 0.774 52.954 52.037 0.238 0.000 0.725 106 A CB -0.155 19.024 19.000 0.298 0.000 0.784 106 A HN 0.285 nan 8.150 nan 0.000 0.472 107 L N -1.651 119.664 121.223 0.154 0.000 2.858 107 L HA 0.357 4.698 4.340 0.001 0.000 0.251 107 L C 1.060 177.947 176.870 0.028 0.000 1.149 107 L CA -0.050 54.809 54.840 0.030 0.000 0.955 107 L CB 0.164 42.100 42.059 -0.205 0.000 1.289 107 L HN 0.353 nan 8.230 nan 0.000 0.542 108 A N -0.338 122.521 122.820 0.066 0.000 2.407 108 A HA 0.256 4.576 4.320 0.001 0.000 0.248 108 A C 1.256 178.839 177.584 -0.002 0.000 1.082 108 A CA 0.458 52.519 52.037 0.040 0.000 0.785 108 A CB 0.539 19.584 19.000 0.075 0.000 1.020 108 A HN 0.396 nan 8.150 nan 0.000 0.489 109 S N 1.172 116.846 115.700 -0.043 0.000 2.503 109 S HA 0.440 4.910 4.470 0.001 0.000 0.217 109 S C 0.850 175.419 174.600 -0.051 0.000 0.999 109 S CA 0.433 58.600 58.200 -0.056 0.000 0.914 109 S CB -0.086 63.056 63.200 -0.095 0.000 0.782 109 S HN 1.552 nan 8.310 nan 0.000 0.520 110 G N -0.027 108.745 108.800 -0.048 0.000 2.749 110 G HA2 0.506 4.467 3.960 0.001 0.000 0.300 110 G HA3 0.506 4.467 3.960 0.001 0.000 0.300 110 G C -1.213 173.669 174.900 -0.030 0.000 1.352 110 G CA -0.378 44.693 45.100 -0.048 0.000 0.789 110 G HN 0.058 nan 8.290 nan 0.000 0.509 111 D N -0.640 119.736 120.400 -0.040 0.000 2.449 111 D HA 0.063 4.704 4.640 0.001 0.000 0.210 111 D C 0.887 177.158 176.300 -0.049 0.000 1.094 111 D CA 0.057 54.038 54.000 -0.032 0.000 0.846 111 D CB 0.843 41.625 40.800 -0.031 0.000 1.003 111 D HN 0.388 nan 8.370 nan 0.000 0.504 112 Q N 2.072 121.830 119.800 -0.070 0.000 2.300 112 Q HA 0.094 4.434 4.340 0.001 0.000 0.280 112 Q C -0.052 175.879 176.000 -0.114 0.000 1.033 112 Q CA 0.553 56.296 55.803 -0.099 0.000 0.903 112 Q CB 0.549 29.217 28.738 -0.117 0.000 1.195 112 Q HN 0.140 nan 8.270 nan 0.000 0.386 113 T N -0.203 114.254 114.554 -0.161 0.000 2.888 113 T HA 0.719 5.069 4.350 0.001 0.000 0.288 113 T C -0.842 173.630 174.700 -0.380 0.000 1.063 113 T CA -0.847 61.116 62.100 -0.229 0.000 1.010 113 T CB 1.755 70.521 68.868 -0.170 0.000 1.214 113 T HN 0.406 nan 8.240 nan 0.000 0.533 114 V N 1.099 120.674 119.914 -0.567 0.000 2.925 114 V HA 0.788 4.908 4.120 0.001 0.000 0.311 114 V C -1.363 174.260 176.094 -0.786 0.000 1.104 114 V CA -0.916 60.867 62.300 -0.862 0.000 0.954 114 V CB 0.677 31.668 31.823 -1.386 0.000 1.022 114 V HN 1.093 nan 8.190 nan 0.000 0.427 115 F N 3.253 122.917 119.950 -0.476 0.000 2.183 115 F HA -0.258 4.269 4.527 0.000 0.000 0.318 115 F C 0.647 176.301 175.800 -0.243 0.000 1.271 115 F CA 0.758 58.511 58.000 -0.412 0.000 0.912 115 F CB -0.920 37.571 39.000 -0.848 0.000 4.135 115 F HN 0.803 nan 8.300 nan 0.000 0.137 116 Y N 2.486 122.813 120.300 0.046 0.000 2.181 116 Y HA -0.250 4.300 4.550 0.001 0.000 0.284 116 Y C 1.930 177.913 175.900 0.138 0.000 1.179 116 Y CA 2.282 60.430 58.100 0.080 0.000 1.179 116 Y CB -0.284 38.250 38.460 0.124 0.000 0.973 116 Y HN 0.484 nan 8.280 nan 0.000 0.519 117 W N 0.737 122.077 121.300 0.067 0.000 3.345 117 W HA 0.265 4.925 4.660 0.000 0.000 0.282 117 W C -0.108 176.422 176.519 0.019 0.000 1.302 117 W CA 0.302 57.614 57.345 -0.055 0.000 1.724 117 W CB -0.827 28.679 29.460 0.076 0.000 1.104 117 W HN 0.078 nan 8.180 nan 0.000 0.694 118 K N 0.757 121.109 120.400 -0.079 0.000 3.150 118 K HA -0.152 4.168 4.320 0.001 0.000 0.267 118 K C 0.714 177.302 176.600 -0.019 0.000 1.028 118 K CA 0.697 56.929 56.287 -0.091 0.000 0.753 118 K CB -1.760 30.722 32.500 -0.029 0.000 1.288 118 K HN 0.362 nan 8.250 nan 0.000 0.473 119 G N 1.426 110.122 108.800 -0.174 0.000 2.365 119 G HA2 -0.023 3.938 3.960 0.001 0.000 0.249 119 G HA3 -0.023 3.938 3.960 0.001 0.000 0.249 119 G C 0.067 174.914 174.900 -0.088 0.000 1.288 119 G CA -0.405 44.719 45.100 0.039 0.000 0.887 119 G HN 0.342 nan 8.290 nan 0.000 0.524 120 N N 1.036 119.814 118.700 0.131 0.000 2.497 120 N HA 0.074 4.814 4.740 0.001 0.000 0.271 120 N C 0.872 176.512 175.510 0.216 0.000 1.142 120 N CA -0.220 52.900 53.050 0.116 0.000 0.965 120 N CB 1.566 40.161 38.487 0.180 0.000 1.077 120 N HN 0.332 nan 8.380 nan 0.000 0.462 121 V N 0.131 120.128 119.914 0.139 0.000 3.043 121 V HA 0.248 4.368 4.120 0.001 0.000 0.357 121 V C 0.558 176.821 176.094 0.283 0.000 1.372 121 V CA -0.496 62.020 62.300 0.362 0.000 1.214 121 V CB -0.611 31.278 31.823 0.110 0.000 1.224 121 V HN 0.643 nan 8.190 nan 0.000 0.507 122 T N -1.418 113.219 114.554 0.138 0.000 2.943 122 T HA 0.698 5.048 4.350 0.001 0.000 0.284 122 T C -2.808 171.818 174.700 -0.122 0.000 1.015 122 T CA -2.284 59.755 62.100 -0.102 0.000 1.042 122 T CB 1.679 70.483 68.868 -0.107 0.000 1.055 122 T HN 0.177 nan 8.240 nan 0.000 0.500 123 P HA 0.184 nan 4.420 nan 0.000 0.269 123 P C -2.453 174.662 177.300 -0.308 0.000 1.211 123 P CA -1.042 61.887 63.100 -0.286 0.000 0.781 123 P CB -0.566 30.967 31.700 -0.277 0.000 0.877 124 P HA 0.027 nan 4.420 nan 0.000 0.275 124 P C 0.546 177.626 177.300 -0.367 0.000 1.227 124 P CA -0.074 62.781 63.100 -0.409 0.000 0.781 124 P CB 0.647 32.031 31.700 -0.527 0.000 0.906 125 K N 1.498 121.796 120.400 -0.169 0.000 2.288 125 K HA -0.068 4.252 4.320 0.001 0.000 0.201 125 K C -0.146 176.416 176.600 -0.063 0.000 1.048 125 K CA 1.171 57.401 56.287 -0.094 0.000 0.956 125 K CB 0.045 32.526 32.500 -0.031 0.000 0.746 125 K HN 0.284 nan 8.250 nan 0.000 0.461 126 D N -0.462 119.894 120.400 -0.073 0.000 2.575 126 D HA 0.126 4.767 4.640 0.001 0.000 0.250 126 D C -0.207 176.107 176.300 0.023 0.000 1.279 126 D CA -0.717 53.290 54.000 0.012 0.000 0.925 126 D CB 0.709 41.546 40.800 0.062 0.000 1.261 126 D HN -0.022 nan 8.370 nan 0.000 0.567 127 Y N 2.117 122.468 120.300 0.084 0.000 2.293 127 Y HA -0.112 4.439 4.550 0.001 0.000 0.291 127 Y C 2.108 178.110 175.900 0.170 0.000 1.137 127 Y CA 0.840 59.011 58.100 0.119 0.000 1.202 127 Y CB 0.178 38.677 38.460 0.065 0.000 0.990 127 Y HN 0.416 nan 8.280 nan 0.000 0.537 128 N N 0.122 118.976 118.700 0.256 0.000 2.309 128 N HA -0.131 4.610 4.740 0.001 0.000 0.182 128 N C 1.468 177.076 175.510 0.164 0.000 1.018 128 N CA 1.167 54.327 53.050 0.183 0.000 0.876 128 N CB -0.139 38.429 38.487 0.134 0.000 0.972 128 N HN 0.437 nan 8.380 nan 0.000 0.434 129 K N -0.010 120.490 120.400 0.167 0.000 2.116 129 K HA -0.075 4.246 4.320 0.001 0.000 0.203 129 K C 1.911 178.601 176.600 0.150 0.000 1.052 129 K CA 0.385 56.769 56.287 0.162 0.000 0.952 129 K CB -0.091 32.498 32.500 0.148 0.000 0.729 129 K HN 0.297 nan 8.250 nan 0.000 0.446 130 W N 3.256 124.535 121.300 -0.034 0.000 2.335 130 W HA -0.242 4.419 4.660 0.000 0.000 0.311 130 W C 1.900 178.409 176.519 -0.016 0.000 1.213 130 W CA 1.540 58.853 57.345 -0.054 0.000 1.274 130 W CB -0.216 29.204 29.460 -0.067 0.000 1.148 130 W HN 0.033 nan 8.180 nan 0.000 0.498 131 R N 0.750 121.321 120.500 0.118 0.000 2.083 131 R HA -0.199 4.141 4.340 0.001 0.000 0.237 131 R C 1.711 177.946 176.300 -0.108 0.000 1.137 131 R CA 2.355 58.446 56.100 -0.015 0.000 0.951 131 R CB -0.845 29.515 30.300 0.100 0.000 0.851 131 R HN 0.024 nan 8.270 nan 0.000 0.434 132 D N 0.998 121.391 120.400 -0.012 0.000 2.178 132 D HA -0.172 4.468 4.640 0.001 0.000 0.201 132 D C 1.891 178.149 176.300 -0.069 0.000 0.980 132 D CA 0.658 54.660 54.000 0.004 0.000 0.842 132 D CB -0.183 40.693 40.800 0.127 0.000 0.948 132 D HN 0.286 nan 8.370 nan 0.000 0.472 133 L N 0.605 121.783 121.223 -0.076 0.000 2.005 133 L HA -0.155 4.185 4.340 0.001 0.000 0.207 133 L C 2.078 178.719 176.870 -0.382 0.000 1.072 133 L CA 0.992 55.747 54.840 -0.141 0.000 0.744 133 L CB -0.148 41.820 42.059 -0.151 0.000 0.895 133 L HN -0.060 nan 8.230 nan 0.000 0.433 134 I N -0.229 119.997 120.570 -0.573 0.000 2.194 134 I HA -0.271 3.900 4.170 0.001 0.000 0.246 134 I C 2.684 178.574 176.117 -0.378 0.000 1.093 134 I CA 1.220 62.130 61.300 -0.651 0.000 1.355 134 I CB -1.332 36.189 38.000 -0.799 0.000 1.046 134 I HN 0.140 nan 8.210 nan 0.000 0.413 135 V N 1.179 120.919 119.914 -0.290 0.000 2.358 135 V HA -0.213 3.907 4.120 0.001 0.000 0.246 135 V C 2.777 178.743 176.094 -0.213 0.000 1.047 135 V CA 1.719 63.899 62.300 -0.201 0.000 1.035 135 V CB -1.004 30.736 31.823 -0.139 0.000 0.658 135 V HN 0.462 nan 8.190 nan 0.000 0.452 136 A N -0.424 122.209 122.820 -0.312 0.000 1.930 136 A HA -0.122 4.199 4.320 0.001 0.000 0.217 136 A C 2.338 179.787 177.584 -0.224 0.000 1.175 136 A CA 1.887 53.697 52.037 -0.378 0.000 0.627 136 A CB -0.490 17.888 19.000 -1.037 0.000 0.815 136 A HN 0.351 nan 8.150 nan 0.000 0.443 137 V N -0.593 119.191 119.914 -0.217 0.000 2.379 137 V HA -0.164 3.956 4.120 0.001 0.000 0.245 137 V C 2.519 178.353 176.094 -0.433 0.000 1.044 137 V CA 1.776 63.953 62.300 -0.205 0.000 1.036 137 V CB -0.554 31.226 31.823 -0.071 0.000 0.664 137 V HN 0.353 nan 8.190 nan 0.000 0.453 138 V N -0.119 119.696 119.914 -0.164 0.000 2.427 138 V HA -0.189 3.931 4.120 0.001 0.000 0.248 138 V C 2.534 178.601 176.094 -0.045 0.000 1.051 138 V CA 2.132 64.444 62.300 0.020 0.000 1.048 138 V CB -0.548 31.311 31.823 0.060 0.000 0.666 138 V HN 0.541 nan 8.190 nan 0.000 0.456 139 S N -0.682 114.947 115.700 -0.119 0.000 2.368 139 S HA -0.244 4.227 4.470 0.001 0.000 0.225 139 S C 1.982 176.481 174.600 -0.169 0.000 1.030 139 S CA 1.820 59.951 58.200 -0.114 0.000 0.999 139 S CB -0.437 62.702 63.200 -0.103 0.000 0.844 139 S HN 0.821 nan 8.310 nan 0.000 0.459 140 H N 1.036 119.886 119.070 -0.366 0.000 2.353 140 H HA 0.013 4.569 4.556 0.001 0.000 0.300 140 H C 1.660 176.818 175.328 -0.282 0.000 1.090 140 H CA 1.606 57.322 56.048 -0.554 0.000 1.327 140 H CB -0.582 28.312 29.762 -1.447 0.000 1.383 140 H HN 0.472 nan 8.280 nan 0.000 0.508 141 F N -0.124 119.625 119.950 -0.335 0.000 2.095 141 F HA -0.181 4.346 4.527 0.001 0.000 0.298 141 F C 2.482 178.173 175.800 -0.182 0.000 1.104 141 F CA 0.889 58.825 58.000 -0.106 0.000 1.232 141 F CB -0.212 38.916 39.000 0.213 0.000 0.987 141 F HN 0.162 nan 8.300 nan 0.000 0.475 142 I N 0.194 120.768 120.570 0.007 0.000 2.226 142 I HA -0.272 3.899 4.170 0.001 0.000 0.245 142 I C 2.148 178.186 176.117 -0.132 0.000 1.100 142 I CA 1.459 62.718 61.300 -0.068 0.000 1.374 142 I CB -0.478 37.487 38.000 -0.058 0.000 1.057 142 I HN 0.146 nan 8.210 nan 0.000 0.413 143 E N 0.251 120.335 120.200 -0.194 0.000 2.118 143 E HA -0.270 4.080 4.350 0.001 0.000 0.195 143 E C 2.288 178.726 176.600 -0.271 0.000 0.992 143 E CA 1.159 57.438 56.400 -0.201 0.000 0.804 143 E CB -0.099 29.497 29.700 -0.174 0.000 0.741 143 E HN 0.361 nan 8.360 nan 0.000 0.458 144 R N -0.733 119.483 120.500 -0.472 0.000 2.112 144 R HA -0.016 4.324 4.340 0.001 0.000 0.216 144 R C 1.201 177.146 176.300 -0.592 0.000 1.080 144 R CA 0.835 56.562 56.100 -0.622 0.000 0.996 144 R CB 0.247 29.953 30.300 -0.992 0.000 0.902 144 R HN 0.227 nan 8.270 nan 0.000 0.449 145 Y N -0.943 119.298 120.300 -0.099 0.000 2.444 145 Y HA 0.359 4.910 4.550 0.001 0.000 0.252 145 Y C 0.593 176.427 175.900 -0.111 0.000 1.091 145 Y CA 0.068 58.121 58.100 -0.077 0.000 1.276 145 Y CB 1.547 39.965 38.460 -0.070 0.000 1.170 145 Y HN 0.254 nan 8.280 nan 0.000 0.517 146 G N 0.877 109.664 108.800 -0.023 0.000 2.712 146 G HA2 -0.232 3.729 3.960 0.001 0.000 0.686 146 G HA3 -0.232 3.729 3.960 0.001 0.000 0.686 146 G C 0.012 174.860 174.900 -0.088 0.000 1.181 146 G CA -0.288 44.781 45.100 -0.051 0.000 0.762 146 G HN 0.167 nan 8.290 nan 0.000 0.641 147 I N 0.588 121.111 120.570 -0.078 0.000 2.361 147 I HA -0.036 4.135 4.170 0.001 0.000 0.251 147 I C 2.312 178.362 176.117 -0.111 0.000 1.133 147 I CA 2.434 63.681 61.300 -0.087 0.000 1.413 147 I CB -0.056 37.915 38.000 -0.047 0.000 1.073 147 I HN 0.674 nan 8.210 nan 0.000 0.424 148 E N 0.051 120.195 120.200 -0.094 0.000 2.072 148 E HA -0.252 4.099 4.350 0.001 0.000 0.190 148 E C 2.013 178.530 176.600 -0.139 0.000 0.982 148 E CA 1.124 57.466 56.400 -0.097 0.000 0.803 148 E CB -0.179 29.482 29.700 -0.065 0.000 0.755 148 E HN 0.510 nan 8.360 nan 0.000 0.453 149 E N 1.133 121.239 120.200 -0.157 0.000 2.038 149 E HA -0.148 4.203 4.350 0.001 0.000 0.195 149 E C 2.069 178.321 176.600 -0.581 0.000 1.000 149 E CA 1.231 57.495 56.400 -0.226 0.000 0.803 149 E CB -0.257 29.361 29.700 -0.135 0.000 0.750 149 E HN 0.020 nan 8.360 nan 0.000 0.448 150 V N 0.660 120.153 119.914 -0.702 0.000 2.626 150 V HA -0.156 3.964 4.120 0.001 0.000 0.252 150 V C 2.324 178.124 176.094 -0.490 0.000 1.067 150 V CA 1.929 63.575 62.300 -1.090 0.000 1.081 150 V CB -0.542 30.917 31.823 -0.608 0.000 0.686 150 V HN 0.204 nan 8.190 nan 0.000 0.468 151 R N 0.644 121.004 120.500 -0.233 0.000 2.237 151 R HA -0.099 4.241 4.340 0.001 0.000 0.219 151 R C 2.266 178.570 176.300 0.007 0.000 1.080 151 R CA 1.589 57.659 56.100 -0.050 0.000 0.995 151 R CB -0.437 29.811 30.300 -0.087 0.000 0.875 151 R HN 0.745 nan 8.270 nan 0.000 0.462 152 T N -2.751 111.789 114.554 -0.023 0.000 3.113 152 T HA -0.010 4.340 4.350 0.001 0.000 0.256 152 T C 0.370 175.279 174.700 0.349 0.000 1.131 152 T CA -0.154 62.028 62.100 0.137 0.000 1.074 152 T CB 0.012 68.957 68.868 0.129 0.000 0.944 152 T HN 0.044 nan 8.240 nan 0.000 0.516 153 W N 1.041 122.352 121.300 0.018 0.000 2.089 153 W HA 0.723 5.383 4.660 0.000 0.000 0.362 153 W C 0.042 176.343 176.519 -0.363 0.000 1.362 153 W CA -2.089 55.144 57.345 -0.188 0.000 1.460 153 W CB -0.026 29.208 29.460 -0.376 0.000 1.204 153 W HN 0.067 nan 8.180 nan 0.000 0.657 154 L N 0.393 121.267 121.223 -0.582 0.000 2.333 154 L HA 0.552 4.892 4.340 0.001 0.000 0.263 154 L C -1.102 175.361 176.870 -0.677 0.000 1.014 154 L CA -0.740 53.702 54.840 -0.664 0.000 0.820 154 L CB 1.599 42.692 42.059 -1.609 0.000 1.352 154 L HN 0.042 nan 8.230 nan 0.000 0.421 155 F N 0.271 120.336 119.950 0.191 0.000 2.771 155 F HA 0.337 4.864 4.527 0.000 0.000 0.365 155 F C 0.073 176.210 175.800 0.563 0.000 1.169 155 F CA -0.511 57.654 58.000 0.276 0.000 1.093 155 F CB 1.354 40.532 39.000 0.296 0.000 1.363 155 F HN 0.369 nan 8.300 nan 0.000 0.496 156 E N 2.048 122.666 120.200 0.696 0.000 2.313 156 E HA 0.479 4.829 4.350 0.001 0.000 0.276 156 E C -0.982 175.963 176.600 0.575 0.000 1.031 156 E CA -0.467 56.361 56.400 0.713 0.000 0.857 156 E CB 1.346 31.395 29.700 0.582 0.000 1.040 156 E HN 0.338 nan 8.360 nan 0.000 0.408 157 V N 7.246 127.535 119.914 0.625 0.000 2.334 157 V HA 0.178 4.298 4.120 0.001 0.000 0.267 157 V C 0.029 176.563 176.094 0.734 0.000 1.040 157 V CA -0.290 62.456 62.300 0.743 0.000 0.866 157 V CB -0.629 31.666 31.823 0.788 0.000 1.019 157 V HN 0.799 nan 8.190 nan 0.000 0.468 158 W N 3.833 125.376 121.300 0.405 0.000 3.478 158 W HA -0.236 4.425 4.660 0.000 0.000 0.320 158 W C -0.652 175.917 176.519 0.084 0.000 0.077 158 W CA 0.442 57.933 57.345 0.243 0.000 0.453 158 W CB -0.202 29.372 29.460 0.189 0.000 1.860 158 W HN 0.698 nan 8.180 nan 0.000 0.429 159 N N 1.109 119.638 118.700 -0.285 0.000 2.425 159 N HA 0.265 5.006 4.740 0.001 0.000 0.289 159 N C -1.187 174.110 175.510 -0.356 0.000 1.074 159 N CA 0.280 53.126 53.050 -0.341 0.000 0.905 159 N CB 1.113 39.312 38.487 -0.480 0.000 1.586 159 N HN 0.346 nan 8.380 nan 0.000 0.490 160 E N 1.693 121.601 120.200 -0.487 0.000 2.160 160 E HA -0.170 4.180 4.350 0.001 0.000 0.180 160 E C -1.761 174.697 176.600 -0.236 0.000 1.452 160 E CA 0.174 56.292 56.400 -0.470 0.000 0.683 160 E CB -0.183 29.192 29.700 -0.541 0.000 1.072 160 E HN 0.558 nan 8.360 nan 0.000 0.332 161 P HA -0.144 nan 4.420 nan 0.000 0.237 161 P C 0.639 177.748 177.300 -0.318 0.000 1.178 161 P CA 0.917 63.853 63.100 -0.273 0.000 0.766 161 P CB 0.138 31.348 31.700 -0.816 0.000 0.876 162 N N -0.332 117.870 118.700 -0.829 0.000 2.398 162 N HA 0.001 4.741 4.740 0.001 0.000 0.188 162 N C 0.135 175.417 175.510 -0.379 0.000 1.122 162 N CA 0.008 52.431 53.050 -1.045 0.000 0.866 162 N CB -0.445 36.989 38.487 -1.755 0.000 0.970 162 N HN 0.142 nan 8.380 nan 0.000 0.462 163 L N 1.665 122.791 121.223 -0.162 0.000 2.296 163 L HA 0.250 4.591 4.340 0.001 0.000 0.286 163 L C 1.213 178.120 176.870 0.062 0.000 1.023 163 L CA -0.677 54.151 54.840 -0.020 0.000 0.812 163 L CB 1.788 43.899 42.059 0.086 0.000 1.223 163 L HN -0.070 nan 8.230 nan 0.000 0.421 164 V N 1.350 121.266 119.914 0.003 0.000 2.490 164 V HA -0.175 3.946 4.120 0.001 0.000 0.250 164 V C 1.787 177.831 176.094 -0.083 0.000 1.061 164 V CA 1.882 64.172 62.300 -0.017 0.000 1.064 164 V CB -1.104 30.691 31.823 -0.048 0.000 0.670 164 V HN 0.906 nan 8.190 nan 0.000 0.461 165 N N -0.044 118.549 118.700 -0.178 0.000 2.289 165 N HA -0.069 4.672 4.740 0.001 0.000 0.184 165 N C 1.493 176.654 175.510 -0.582 0.000 1.016 165 N CA 1.821 54.614 53.050 -0.428 0.000 0.872 165 N CB -0.146 37.968 38.487 -0.621 0.000 0.973 165 N HN 0.604 nan 8.380 nan 0.000 0.433 166 F N -1.700 118.180 119.950 -0.115 0.000 2.731 166 F HA 0.235 4.762 4.527 0.001 0.000 0.298 166 F C 0.477 176.518 175.800 0.402 0.000 1.106 166 F CA -0.117 57.850 58.000 -0.056 0.000 1.329 166 F CB 0.696 39.662 39.000 -0.056 0.000 1.100 166 F HN 0.041 nan 8.300 nan 0.000 0.592 167 W N 1.648 123.073 121.300 0.207 0.000 3.827 167 W HA 0.189 4.850 4.660 0.001 0.000 0.307 167 W C -1.122 175.429 176.519 0.054 0.000 1.204 167 W CA -1.255 56.221 57.345 0.219 0.000 1.250 167 W CB 0.787 30.403 29.460 0.260 0.000 1.281 167 W HN -0.501 nan 8.180 nan 0.000 0.494 168 K N 5.552 125.667 120.400 -0.475 0.000 2.404 168 K HA -0.140 4.181 4.320 0.001 0.000 0.271 168 K C 0.248 176.594 176.600 -0.422 0.000 1.130 168 K CA 1.743 57.748 56.287 -0.471 0.000 1.181 168 K CB 0.219 32.374 32.500 -0.574 0.000 0.840 168 K HN 0.590 nan 8.250 nan 0.000 0.483 169 D N 1.859 122.139 120.400 -0.201 0.000 3.046 169 D HA -0.243 4.397 4.640 0.001 0.000 0.210 169 D C 0.136 176.427 176.300 -0.015 0.000 1.124 169 D CA 1.149 55.083 54.000 -0.110 0.000 0.986 169 D CB -1.366 39.360 40.800 -0.124 0.000 1.118 169 D HN 0.827 nan 8.370 nan 0.000 0.416 170 A N -0.146 122.701 122.820 0.045 0.000 2.640 170 A HA -0.308 4.012 4.320 0.001 0.000 0.300 170 A C 0.384 178.193 177.584 0.375 0.000 1.499 170 A CA 1.092 53.283 52.037 0.257 0.000 0.759 170 A CB -1.582 17.512 19.000 0.156 0.000 1.048 170 A HN 0.418 nan 8.150 nan 0.000 0.450 171 N N 0.182 119.028 118.700 0.242 0.000 2.400 171 N HA 0.116 4.856 4.740 0.001 0.000 0.267 171 N C 1.050 176.750 175.510 0.318 0.000 1.208 171 N CA 0.700 53.854 53.050 0.173 0.000 0.951 171 N CB 0.711 39.162 38.487 -0.060 0.000 1.227 171 N HN 0.715 nan 8.380 nan 0.000 0.488 172 K N 3.001 123.407 120.400 0.009 0.000 2.002 172 K HA -0.194 4.127 4.320 0.001 0.000 0.209 172 K C 1.392 177.467 176.600 -0.874 0.000 1.048 172 K CA 1.355 57.241 56.287 -0.669 0.000 0.930 172 K CB 0.083 31.922 32.500 -1.101 0.000 0.714 172 K HN 0.318 nan 8.250 nan 0.000 0.438 173 Q N 0.828 120.322 119.800 -0.510 0.000 2.124 173 Q HA -0.161 4.179 4.340 0.001 0.000 0.202 173 Q C 1.698 177.580 176.000 -0.197 0.000 0.977 173 Q CA 1.899 57.485 55.803 -0.362 0.000 0.850 173 Q CB -0.039 28.621 28.738 -0.130 0.000 0.901 173 Q HN 0.432 nan 8.270 nan 0.000 0.429 174 E N -1.549 118.638 120.200 -0.021 0.000 2.158 174 E HA -0.153 4.197 4.350 0.001 0.000 0.191 174 E C 1.569 178.344 176.600 0.291 0.000 0.982 174 E CA 0.650 57.146 56.400 0.161 0.000 0.823 174 E CB -0.310 29.512 29.700 0.202 0.000 0.766 174 E HN 0.471 nan 8.360 nan 0.000 0.468 175 Y N 0.138 120.526 120.300 0.147 0.000 2.145 175 Y HA -0.195 4.355 4.550 0.000 0.000 0.286 175 Y C 1.562 177.435 175.900 -0.044 0.000 1.145 175 Y CA 1.867 59.841 58.100 -0.209 0.000 1.148 175 Y CB -0.511 37.770 38.460 -0.298 0.000 0.981 175 Y HN 0.107 nan 8.280 nan 0.000 0.507 176 F N 0.465 120.172 119.950 -0.406 0.000 2.161 176 F HA -0.272 4.256 4.527 0.001 0.000 0.300 176 F C 2.626 178.115 175.800 -0.519 0.000 1.089 176 F CA 1.338 58.881 58.000 -0.763 0.000 1.282 176 F CB -0.310 37.754 39.000 -1.560 0.000 1.010 176 F HN 0.024 nan 8.300 nan 0.000 0.485 177 K N 0.856 121.166 120.400 -0.151 0.000 2.057 177 K HA -0.211 4.109 4.320 0.001 0.000 0.206 177 K C 2.079 178.591 176.600 -0.147 0.000 1.050 177 K CA 1.103 57.325 56.287 -0.109 0.000 0.935 177 K CB -0.298 32.062 32.500 -0.234 0.000 0.715 177 K HN 0.186 nan 8.250 nan 0.000 0.439 178 L N 0.737 121.869 121.223 -0.150 0.000 2.083 178 L HA -0.180 4.160 4.340 0.001 0.000 0.209 178 L C 2.175 178.999 176.870 -0.076 0.000 1.083 178 L CA 1.623 56.398 54.840 -0.109 0.000 0.752 178 L CB -0.702 41.157 42.059 -0.333 0.000 0.899 178 L HN 0.252 nan 8.230 nan 0.000 0.433 179 Y N 0.526 120.632 120.300 -0.323 0.000 2.114 179 Y HA -0.279 4.271 4.550 0.000 0.000 0.284 179 Y C 2.644 178.595 175.900 0.085 0.000 1.143 179 Y CA 2.257 60.291 58.100 -0.110 0.000 1.135 179 Y CB -0.310 38.083 38.460 -0.111 0.000 0.980 179 Y HN 0.467 nan 8.280 nan 0.000 0.499 180 E N -0.542 119.710 120.200 0.086 0.000 2.058 180 E HA -0.198 4.152 4.350 0.001 0.000 0.194 180 E C 2.086 178.667 176.600 -0.031 0.000 0.997 180 E CA 1.992 58.422 56.400 0.050 0.000 0.801 180 E CB -0.292 29.539 29.700 0.219 0.000 0.746 180 E HN 0.351 nan 8.360 nan 0.000 0.450 181 V N 0.755 120.685 119.914 0.026 0.000 2.490 181 V HA -0.228 3.893 4.120 0.001 0.000 0.250 181 V C 2.307 178.470 176.094 0.115 0.000 1.061 181 V CA 2.096 64.454 62.300 0.095 0.000 1.064 181 V CB -0.590 31.357 31.823 0.208 0.000 0.670 181 V HN 0.398 nan 8.190 nan 0.000 0.461 182 T N 0.254 114.882 114.554 0.122 0.000 2.732 182 T HA -0.042 4.308 4.350 0.001 0.000 0.261 182 T C 2.119 176.775 174.700 -0.074 0.000 1.040 182 T CA 1.417 63.584 62.100 0.111 0.000 1.145 182 T CB -0.392 68.652 68.868 0.294 0.000 0.866 182 T HN 0.539 nan 8.240 nan 0.000 0.427 183 A N 1.977 124.643 122.820 -0.258 0.000 1.908 183 A HA -0.135 4.185 4.320 0.001 0.000 0.218 183 A C 2.354 179.852 177.584 -0.143 0.000 1.181 183 A CA 1.407 53.266 52.037 -0.296 0.000 0.627 183 A CB -0.491 18.104 19.000 -0.676 0.000 0.818 183 A HN 0.385 nan 8.150 nan 0.000 0.445 184 R N -0.765 119.666 120.500 -0.115 0.000 2.148 184 R HA 0.027 4.367 4.340 0.001 0.000 0.223 184 R C 2.346 178.611 176.300 -0.060 0.000 1.088 184 R CA 0.913 56.973 56.100 -0.066 0.000 0.985 184 R CB -0.321 29.953 30.300 -0.043 0.000 0.880 184 R HN 0.531 nan 8.270 nan 0.000 0.451 185 A N 0.633 123.412 122.820 -0.068 0.000 1.898 185 A HA -0.051 4.269 4.320 0.001 0.000 0.214 185 A C 2.289 179.808 177.584 -0.109 0.000 1.183 185 A CA 0.843 52.828 52.037 -0.087 0.000 0.622 185 A CB -0.312 18.618 19.000 -0.117 0.000 0.824 185 A HN 0.069 nan 8.150 nan 0.000 0.444 186 V N 0.557 120.403 119.914 -0.113 0.000 2.295 186 V HA -0.237 3.883 4.120 0.001 0.000 0.246 186 V C 2.534 178.564 176.094 -0.107 0.000 1.049 186 V CA 2.176 64.403 62.300 -0.122 0.000 1.024 186 V CB -0.568 31.203 31.823 -0.088 0.000 0.648 186 V HN 0.374 nan 8.190 nan 0.000 0.447 187 K N 0.811 121.166 120.400 -0.074 0.000 2.097 187 K HA -0.098 4.222 4.320 0.001 0.000 0.206 187 K C 2.498 179.065 176.600 -0.055 0.000 1.049 187 K CA 1.677 57.932 56.287 -0.055 0.000 0.933 187 K CB -0.923 31.554 32.500 -0.038 0.000 0.717 187 K HN 0.675 nan 8.250 nan 0.000 0.442 188 S N 0.322 115.988 115.700 -0.057 0.000 2.400 188 S HA -0.104 4.366 4.470 0.001 0.000 0.232 188 S C 2.141 176.709 174.600 -0.054 0.000 1.025 188 S CA 1.317 59.487 58.200 -0.050 0.000 0.993 188 S CB -0.509 62.663 63.200 -0.047 0.000 0.808 188 S HN -0.013 nan 8.310 nan 0.000 0.478 189 V N 1.328 121.202 119.914 -0.067 0.000 2.283 189 V HA 0.137 4.258 4.120 0.001 0.000 0.243 189 V C 0.766 176.828 176.094 -0.054 0.000 1.039 189 V CA 1.661 63.922 62.300 -0.065 0.000 1.016 189 V CB -0.719 31.056 31.823 -0.080 0.000 0.650 189 V HN 0.674 nan 8.190 nan 0.000 0.449 190 D N -1.775 118.591 120.400 -0.056 0.000 2.937 190 D HA 0.283 4.923 4.640 0.001 0.000 0.215 190 D C -2.296 173.986 176.300 -0.032 0.000 1.274 190 D CA -1.180 52.799 54.000 -0.035 0.000 0.869 190 D CB 2.268 43.059 40.800 -0.016 0.000 1.675 190 D HN -0.073 nan 8.370 nan 0.000 0.538 191 P HA -0.113 nan 4.420 nan 0.000 0.229 191 P C 0.782 178.058 177.300 -0.040 0.000 1.160 191 P CA 0.705 63.768 63.100 -0.061 0.000 0.777 191 P CB 0.255 31.888 31.700 -0.111 0.000 0.814 192 H N -0.253 118.822 119.070 0.009 0.000 2.529 192 H HA 0.174 4.731 4.556 0.000 0.000 0.277 192 H C 0.915 176.280 175.328 0.062 0.000 0.999 192 H CA 0.150 56.218 56.048 0.034 0.000 1.256 192 H CB -0.329 29.447 29.762 0.024 0.000 1.402 192 H HN 0.167 nan 8.280 nan 0.000 0.566 193 L N 2.730 124.041 121.223 0.145 0.000 2.500 193 L HA 0.002 4.342 4.340 0.001 0.000 0.272 193 L C 0.352 177.341 176.870 0.199 0.000 1.149 193 L CA -0.034 54.873 54.840 0.112 0.000 0.897 193 L CB 0.436 42.394 42.059 -0.168 0.000 1.178 193 L HN -0.078 nan 8.230 nan 0.000 0.473 194 Q N 3.680 123.702 119.800 0.370 0.000 2.307 194 Q HA 0.274 4.615 4.340 0.001 0.000 0.259 194 Q C -0.334 176.041 176.000 0.626 0.000 0.998 194 Q CA 0.007 56.072 55.803 0.436 0.000 0.923 194 Q CB 2.010 30.984 28.738 0.393 0.000 1.196 194 Q HN 0.441 nan 8.270 nan 0.000 0.416 195 V N 1.704 121.882 119.914 0.439 0.000 2.715 195 V HA 0.955 5.076 4.120 0.001 0.000 0.310 195 V C -0.154 175.888 176.094 -0.087 0.000 1.054 195 V CA -0.080 62.438 62.300 0.364 0.000 0.928 195 V CB 1.940 33.914 31.823 0.251 0.000 1.007 195 V HN 0.884 nan 8.190 nan 0.000 0.437 196 G N 2.745 111.282 108.800 -0.438 0.000 2.489 196 G HA2 0.787 4.747 3.960 0.001 0.000 0.305 196 G HA3 0.787 4.747 3.960 0.001 0.000 0.305 196 G C -0.509 174.256 174.900 -0.226 0.000 1.311 196 G CA 0.100 44.738 45.100 -0.770 0.000 0.813 196 G HN 1.507 nan 8.290 nan 0.000 0.480 197 G N -1.681 106.960 108.800 -0.265 0.000 2.494 197 G HA2 0.681 4.642 3.960 0.001 0.000 0.308 197 G HA3 0.681 4.642 3.960 0.001 0.000 0.308 197 G C -2.706 171.881 174.900 -0.522 0.000 1.263 197 G CA 0.213 45.136 45.100 -0.295 0.000 0.840 197 G HN 0.567 nan 8.290 nan 0.000 0.479 198 P HA 0.295 nan 4.420 nan 0.000 0.262 198 P C 0.768 177.816 177.300 -0.419 0.000 1.304 198 P CA 1.128 63.832 63.100 -0.660 0.000 0.859 198 P CB 0.911 32.248 31.700 -0.606 0.000 1.310 199 A N 0.486 123.138 122.820 -0.279 0.000 2.872 199 A HA -0.199 4.122 4.320 0.001 0.000 0.273 199 A C 0.535 177.735 177.584 -0.641 0.000 1.442 199 A CA 0.693 52.523 52.037 -0.344 0.000 0.801 199 A CB -2.762 16.123 19.000 -0.192 0.000 1.031 199 A HN 0.520 nan 8.150 nan 0.000 0.582 200 I N -2.091 118.169 120.570 -0.516 0.000 2.823 200 I HA 0.545 4.715 4.170 0.001 0.000 0.290 200 I C 1.194 177.014 176.117 -0.495 0.000 1.091 200 I CA -0.756 60.225 61.300 -0.531 0.000 1.365 200 I CB 0.732 38.477 38.000 -0.425 0.000 1.427 200 I HN 0.729 nan 8.210 nan 0.000 0.583 201 C N 3.153 122.218 119.300 -0.393 0.000 2.470 201 C HA 0.773 5.234 4.460 0.001 0.000 0.350 201 C C 1.190 176.116 174.990 -0.107 0.000 1.341 201 C CA -0.179 58.739 59.018 -0.168 0.000 2.440 201 C CB -0.043 27.623 27.740 -0.123 0.000 2.295 201 C HN 1.065 nan 8.230 nan 0.000 0.645 202 G N -0.637 108.171 108.800 0.013 0.000 2.684 202 G HA2 0.480 4.440 3.960 0.001 0.000 0.255 202 G HA3 0.480 4.440 3.960 0.001 0.000 0.255 202 G C 1.094 175.993 174.900 -0.002 0.000 1.219 202 G CA 0.191 45.310 45.100 0.032 0.000 0.901 202 G HN 2.505 nan 8.290 nan 0.000 0.548 203 G N -1.697 107.117 108.800 0.024 0.000 2.234 203 G HA2 -0.100 3.861 3.960 0.001 0.000 0.235 203 G HA3 -0.100 3.861 3.960 0.001 0.000 0.235 203 G C 0.628 175.541 174.900 0.021 0.000 0.997 203 G CA 1.000 46.113 45.100 0.022 0.000 0.623 203 G HN 2.129 nan 8.290 nan 0.000 0.514 204 S N -0.194 115.508 115.700 0.005 0.000 2.512 204 S HA 0.487 4.958 4.470 0.001 0.000 0.161 204 S C -0.089 174.596 174.600 0.142 0.000 1.383 204 S CA 0.230 58.470 58.200 0.066 0.000 1.248 204 S CB 1.088 64.300 63.200 0.021 0.000 1.488 204 S HN -0.022 nan 8.310 nan 0.000 0.382 205 D N 2.586 123.064 120.400 0.130 0.000 2.371 205 D HA -0.082 4.558 4.640 0.001 0.000 0.221 205 D C 2.123 178.546 176.300 0.205 0.000 0.986 205 D CA 0.654 54.743 54.000 0.148 0.000 0.899 205 D CB 0.164 41.026 40.800 0.104 0.000 0.902 205 D HN 0.826 nan 8.370 nan 0.000 0.530 206 E N -0.135 120.201 120.200 0.228 0.000 2.267 206 E HA -0.215 4.135 4.350 0.001 0.000 0.197 206 E C 1.560 178.331 176.600 0.285 0.000 0.998 206 E CA 0.647 57.181 56.400 0.222 0.000 0.830 206 E CB -0.723 29.086 29.700 0.181 0.000 0.751 206 E HN 0.358 nan 8.360 nan 0.000 0.491 207 W N 1.157 122.530 121.300 0.122 0.000 2.374 207 W HA 0.028 4.689 4.660 0.000 0.000 0.288 207 W C 2.341 178.992 176.519 0.218 0.000 1.218 207 W CA 0.875 58.325 57.345 0.175 0.000 1.245 207 W CB -0.407 29.102 29.460 0.081 0.000 1.126 207 W HN 0.043 nan 8.180 nan 0.000 0.545 208 I N -0.717 120.074 120.570 0.368 0.000 2.202 208 I HA -0.314 3.857 4.170 0.001 0.000 0.242 208 I C 2.348 178.630 176.117 0.275 0.000 1.091 208 I CA 1.697 63.173 61.300 0.294 0.000 1.368 208 I CB -0.998 37.120 38.000 0.197 0.000 1.058 208 I HN -0.184 nan 8.210 nan 0.000 0.410 209 T N 0.091 114.779 114.554 0.224 0.000 2.720 209 T HA -0.191 4.160 4.350 0.001 0.000 0.268 209 T C 1.483 176.302 174.700 0.197 0.000 1.037 209 T CA 1.704 63.920 62.100 0.194 0.000 1.144 209 T CB -0.296 68.668 68.868 0.161 0.000 0.864 209 T HN 0.313 nan 8.240 nan 0.000 0.444 210 D N 0.227 120.745 120.400 0.196 0.000 2.183 210 D HA 0.018 4.658 4.640 0.001 0.000 0.203 210 D C 1.656 177.954 176.300 -0.002 0.000 0.969 210 D CA 0.438 54.534 54.000 0.161 0.000 0.842 210 D CB -0.371 40.548 40.800 0.198 0.000 0.957 210 D HN 0.362 nan 8.370 nan 0.000 0.484 211 F N 1.314 121.189 119.950 -0.125 0.000 2.186 211 F HA -0.040 4.487 4.527 0.001 0.000 0.299 211 F C 1.913 177.545 175.800 -0.279 0.000 1.090 211 F CA 1.025 58.767 58.000 -0.431 0.000 1.307 211 F CB -0.205 38.758 39.000 -0.062 0.000 1.019 211 F HN -0.144 nan 8.300 nan 0.000 0.489 212 L N -0.892 120.217 121.223 -0.191 0.000 2.240 212 L HA -0.140 4.200 4.340 0.001 0.000 0.211 212 L C 2.462 179.264 176.870 -0.112 0.000 1.106 212 L CA 0.686 55.377 54.840 -0.248 0.000 0.793 212 L CB -0.877 41.184 42.059 0.002 0.000 0.927 212 L HN 0.192 nan 8.230 nan 0.000 0.446 213 H N -0.844 118.193 119.070 -0.056 0.000 2.428 213 H HA -0.134 4.422 4.556 0.001 0.000 0.296 213 H C 2.039 177.320 175.328 -0.077 0.000 1.062 213 H CA 1.425 57.457 56.048 -0.027 0.000 1.350 213 H CB 0.183 29.944 29.762 -0.001 0.000 1.403 213 H HN 0.285 nan 8.280 nan 0.000 0.533 214 F N 0.743 120.541 119.950 -0.252 0.000 2.102 214 F HA -0.215 4.312 4.527 0.001 0.000 0.298 214 F C 2.503 178.132 175.800 -0.286 0.000 1.105 214 F CA 1.324 59.122 58.000 -0.337 0.000 1.239 214 F CB -0.676 37.870 39.000 -0.758 0.000 0.991 214 F HN 0.071 nan 8.300 nan 0.000 0.474 215 C N 0.627 119.721 119.300 -0.343 0.000 2.432 215 C HA -0.002 4.459 4.460 0.001 0.000 0.280 215 C C 3.114 178.046 174.990 -0.097 0.000 1.353 215 C CA 0.892 59.714 59.018 -0.328 0.000 1.766 215 C CB -1.916 25.502 27.740 -0.537 0.000 1.924 215 C HN 0.647 nan 8.230 nan 0.000 0.509 216 A N 0.582 123.407 122.820 0.010 0.000 1.872 216 A HA -0.157 4.163 4.320 0.001 0.000 0.214 216 A C 1.998 179.511 177.584 -0.120 0.000 1.187 216 A CA 1.478 53.507 52.037 -0.012 0.000 0.614 216 A CB -0.500 18.384 19.000 -0.194 0.000 0.826 216 A HN 0.618 nan 8.150 nan 0.000 0.442 217 E N -0.812 119.298 120.200 -0.150 0.000 2.208 217 E HA -0.030 4.321 4.350 0.001 0.000 0.193 217 E C 1.441 177.923 176.600 -0.196 0.000 0.988 217 E CA 0.625 56.945 56.400 -0.134 0.000 0.828 217 E CB 0.059 29.714 29.700 -0.076 0.000 0.763 217 E HN 0.468 nan 8.360 nan 0.000 0.478 218 R N -0.146 120.163 120.500 -0.319 0.000 2.546 218 R HA 0.273 4.613 4.340 0.001 0.000 0.320 218 R C -0.280 175.890 176.300 -0.216 0.000 1.021 218 R CA -0.235 55.678 56.100 -0.310 0.000 1.088 218 R CB 0.459 30.453 30.300 -0.509 0.000 1.278 218 R HN -0.056 nan 8.270 nan 0.000 0.557 219 R N 1.065 121.475 120.500 -0.151 0.000 3.225 219 R HA -0.149 4.191 4.340 0.001 0.000 0.245 219 R C -0.831 175.433 176.300 -0.060 0.000 0.928 219 R CA 0.261 56.319 56.100 -0.071 0.000 0.632 219 R CB -1.272 28.993 30.300 -0.058 0.000 1.038 219 R HN -0.004 nan 8.270 nan 0.000 0.461 220 V N 1.520 121.386 119.914 -0.080 0.000 2.465 220 V HA 0.264 4.384 4.120 0.001 0.000 0.279 220 V C -1.680 174.421 176.094 0.013 0.000 1.045 220 V CA -1.709 60.568 62.300 -0.038 0.000 0.938 220 V CB 1.525 33.341 31.823 -0.012 0.000 0.986 220 V HN 0.162 nan 8.190 nan 0.000 0.467 221 P HA 0.207 nan 4.420 nan 0.000 0.267 221 P C -0.902 176.450 177.300 0.087 0.000 1.209 221 P CA 0.176 63.301 63.100 0.041 0.000 0.763 221 P CB 0.417 32.130 31.700 0.021 0.000 0.816 222 V N 1.727 121.634 119.914 -0.011 0.000 2.623 222 V HA 0.362 4.482 4.120 0.001 0.000 0.304 222 V C 0.076 176.151 176.094 -0.032 0.000 1.054 222 V CA -0.455 61.812 62.300 -0.055 0.000 0.882 222 V CB 2.338 33.891 31.823 -0.450 0.000 1.002 222 V HN 0.353 nan 8.190 nan 0.000 0.424 223 D N 2.628 123.062 120.400 0.057 0.000 2.449 223 D HA 0.260 4.900 4.640 0.001 0.000 0.210 223 D C -0.030 176.464 176.300 0.323 0.000 1.094 223 D CA 0.952 55.068 54.000 0.194 0.000 0.846 223 D CB 1.305 42.278 40.800 0.288 0.000 1.003 223 D HN 0.611 nan 8.370 nan 0.000 0.504 224 F N -1.399 118.661 119.950 0.183 0.000 2.713 224 F HA 0.574 5.101 4.527 0.000 0.000 0.311 224 F C -1.601 174.305 175.800 0.177 0.000 1.141 224 F CA -1.390 56.707 58.000 0.162 0.000 0.939 224 F CB 1.013 40.166 39.000 0.254 0.000 1.325 224 F HN -0.391 nan 8.300 nan 0.000 0.453 225 V N 2.280 122.408 119.914 0.358 0.000 2.417 225 V HA 0.688 4.809 4.120 0.001 0.000 0.291 225 V C -0.414 175.890 176.094 0.350 0.000 1.024 225 V CA -0.275 62.172 62.300 0.246 0.000 0.861 225 V CB 1.475 33.392 31.823 0.156 0.000 0.985 225 V HN 1.038 nan 8.190 nan 0.000 0.436 226 S N 6.028 121.901 115.700 0.288 0.000 2.568 226 S HA 0.913 5.383 4.470 0.001 0.000 0.302 226 S C -0.655 173.987 174.600 0.070 0.000 1.082 226 S CA -0.858 57.500 58.200 0.263 0.000 1.009 226 S CB 2.650 66.084 63.200 0.390 0.000 1.069 226 S HN 0.706 nan 8.310 nan 0.000 0.500 227 R N 0.620 121.168 120.500 0.081 0.000 2.664 227 R HA 0.272 4.612 4.340 0.001 0.000 0.266 227 R C -1.905 174.507 176.300 0.188 0.000 1.046 227 R CA -0.379 55.739 56.100 0.029 0.000 0.885 227 R CB 1.569 31.882 30.300 0.022 0.000 1.254 227 R HN 1.042 nan 8.270 nan 0.000 0.465 228 H N 0.368 119.396 119.070 -0.070 0.000 2.492 228 H HA 0.694 5.250 4.556 0.000 0.000 0.345 228 H C -0.660 174.658 175.328 -0.018 0.000 1.136 228 H CA -0.956 55.039 56.048 -0.089 0.000 1.202 228 H CB 2.218 31.923 29.762 -0.096 0.000 1.524 228 H HN 0.605 nan 8.280 nan 0.000 0.506 229 A N 3.651 126.484 122.820 0.021 0.000 2.353 229 A HA 0.567 4.888 4.320 0.001 0.000 0.299 229 A C -1.747 175.752 177.584 -0.143 0.000 1.089 229 A CA -0.465 51.623 52.037 0.085 0.000 0.736 229 A CB 0.555 19.743 19.000 0.313 0.000 1.195 229 A HN 0.640 nan 8.150 nan 0.000 0.447 230 Y N 0.060 120.485 120.300 0.208 0.000 2.581 230 Y HA 0.518 5.068 4.550 0.001 0.000 0.345 230 Y C 1.238 177.232 175.900 0.157 0.000 1.036 230 Y CA -0.130 58.089 58.100 0.199 0.000 1.042 230 Y CB 2.736 41.367 38.460 0.284 0.000 1.289 230 Y HN 0.638 nan 8.280 nan 0.000 0.471 231 T N -3.539 111.176 114.554 0.269 0.000 3.084 231 T HA 0.132 4.482 4.350 0.001 0.000 0.270 231 T C 0.092 174.850 174.700 0.096 0.000 1.008 231 T CA -0.204 61.996 62.100 0.167 0.000 0.900 231 T CB -0.251 68.726 68.868 0.183 0.000 1.084 231 T HN 0.461 nan 8.240 nan 0.000 0.538 232 S N 1.212 116.948 115.700 0.061 0.000 2.513 232 S HA 0.515 4.985 4.470 0.001 0.000 0.276 232 S C -0.128 174.471 174.600 -0.000 0.000 1.254 232 S CA -0.902 57.255 58.200 -0.072 0.000 1.053 232 S CB 1.294 64.307 63.200 -0.311 0.000 0.958 232 S HN 0.327 nan 8.310 nan 0.000 0.491 233 K N 1.554 121.969 120.400 0.025 0.000 2.149 233 K HA 0.523 4.843 4.320 0.001 0.000 0.245 233 K C 0.613 177.262 176.600 0.081 0.000 1.024 233 K CA -0.253 56.084 56.287 0.085 0.000 0.899 233 K CB 0.336 32.880 32.500 0.074 0.000 1.038 233 K HN 0.854 nan 8.250 nan 0.000 0.496 234 A N 2.246 125.159 122.820 0.154 0.000 2.483 234 A HA 0.166 4.486 4.320 0.001 0.000 0.238 234 A C -2.165 175.478 177.584 0.098 0.000 1.070 234 A CA -1.007 51.135 52.037 0.173 0.000 0.770 234 A CB -0.591 18.503 19.000 0.158 0.000 1.008 234 A HN 0.374 nan 8.150 nan 0.000 0.497 235 P HA 0.093 nan 4.420 nan 0.000 0.261 235 P C -0.103 177.174 177.300 -0.039 0.000 1.183 235 P CA 0.679 63.737 63.100 -0.069 0.000 0.761 235 P CB 0.161 31.683 31.700 -0.296 0.000 0.785 236 H N 1.120 120.182 119.070 -0.013 0.000 2.648 236 H HA 0.388 4.945 4.556 0.001 0.000 0.265 236 H C 0.375 175.706 175.328 0.005 0.000 0.961 236 H CA -0.073 55.972 56.048 -0.005 0.000 1.185 236 H CB 0.528 30.292 29.762 0.004 0.000 1.449 236 H HN 0.184 nan 8.280 nan 0.000 0.523 237 K N 0.605 120.812 120.400 -0.322 0.000 2.527 237 K HA 0.386 4.707 4.320 0.001 0.000 0.260 237 K C -1.545 175.020 176.600 -0.059 0.000 0.937 237 K CA -0.866 55.348 56.287 -0.122 0.000 0.826 237 K CB 2.163 34.613 32.500 -0.082 0.000 1.359 237 K HN 0.072 nan 8.250 nan 0.000 0.434 238 K N 1.495 121.891 120.400 -0.007 0.000 2.371 238 K HA 0.354 4.674 4.320 0.001 0.000 0.251 238 K C -0.568 176.097 176.600 0.108 0.000 0.934 238 K CA -0.702 55.598 56.287 0.022 0.000 0.798 238 K CB 2.208 34.670 32.500 -0.064 0.000 1.204 238 K HN 0.841 nan 8.250 nan 0.000 0.427 239 T N -1.815 112.813 114.554 0.125 0.000 2.870 239 T HA 0.306 4.656 4.350 0.001 0.000 0.277 239 T C 1.184 175.888 174.700 0.007 0.000 1.000 239 T CA -0.737 61.396 62.100 0.054 0.000 0.982 239 T CB 0.244 69.102 68.868 -0.017 0.000 1.249 239 T HN 0.495 nan 8.240 nan 0.000 0.589 240 F N 0.502 120.465 119.950 0.023 0.000 2.408 240 F HA 0.152 4.679 4.527 0.001 0.000 0.300 240 F C 1.664 177.445 175.800 -0.032 0.000 1.090 240 F CA 1.133 59.138 58.000 0.009 0.000 1.427 240 F CB -0.690 38.310 39.000 0.001 0.000 1.070 240 F HN 0.798 nan 8.300 nan 0.000 0.549 241 E N -1.480 118.375 120.200 -0.575 0.000 2.572 241 E HA 0.164 4.515 4.350 0.001 0.000 0.220 241 E C -0.493 175.837 176.600 -0.449 0.000 0.945 241 E CA -0.340 55.742 56.400 -0.529 0.000 1.070 241 E CB -0.271 28.911 29.700 -0.864 0.000 1.090 241 E HN 0.493 nan 8.360 nan 0.000 0.506 242 Y N 0.118 120.312 120.300 -0.176 0.000 2.524 242 Y HA 0.456 5.007 4.550 0.001 0.000 0.344 242 Y C -0.683 175.225 175.900 0.013 0.000 1.012 242 Y CA -1.360 56.603 58.100 -0.229 0.000 1.068 242 Y CB 1.767 39.920 38.460 -0.512 0.000 1.249 242 Y HN -0.094 nan 8.280 nan 0.000 0.468 243 Y N 1.611 121.810 120.300 -0.169 0.000 2.335 243 Y HA 0.355 4.905 4.550 0.001 0.000 0.338 243 Y C -1.020 174.664 175.900 -0.360 0.000 0.977 243 Y CA -1.137 56.853 58.100 -0.183 0.000 1.114 243 Y CB 1.261 39.656 38.460 -0.108 0.000 1.182 243 Y HN 0.505 nan 8.280 nan 0.000 0.463 244 Y N 2.433 122.675 120.300 -0.096 0.000 2.342 244 Y HA 0.410 4.960 4.550 0.001 0.000 0.334 244 Y C -0.231 175.485 175.900 -0.307 0.000 1.067 244 Y CA -0.661 57.303 58.100 -0.225 0.000 1.128 244 Y CB 1.580 39.854 38.460 -0.311 0.000 1.200 244 Y HN 0.473 nan 8.280 nan 0.000 0.464 245 Q N 1.808 121.646 119.800 0.062 0.000 2.379 245 Q HA 0.340 4.681 4.340 0.001 0.000 0.278 245 Q C -1.309 174.798 176.000 0.179 0.000 1.068 245 Q CA -1.106 54.782 55.803 0.142 0.000 0.816 245 Q CB 2.842 31.553 28.738 -0.045 0.000 1.387 245 Q HN 0.605 nan 8.270 nan 0.000 0.413 246 E N 1.570 121.874 120.200 0.173 0.000 2.349 246 E HA 0.398 4.748 4.350 0.001 0.000 0.265 246 E C -0.828 175.780 176.600 0.013 0.000 1.064 246 E CA -0.257 56.171 56.400 0.047 0.000 0.886 246 E CB 1.000 30.679 29.700 -0.034 0.000 1.036 246 E HN 0.308 nan 8.360 nan 0.000 0.413 247 L N 2.041 123.268 121.223 0.006 0.000 2.346 247 L HA 0.337 4.677 4.340 0.001 0.000 0.274 247 L C 0.303 177.218 176.870 0.074 0.000 1.007 247 L CA -1.060 53.786 54.840 0.010 0.000 0.818 247 L CB 1.394 43.420 42.059 -0.055 0.000 1.284 247 L HN 0.350 nan 8.230 nan 0.000 0.424 248 E N 2.666 122.928 120.200 0.103 0.000 2.371 248 E HA 0.268 4.619 4.350 0.001 0.000 0.257 248 E C -2.255 174.480 176.600 0.226 0.000 1.134 248 E CA -1.555 54.922 56.400 0.128 0.000 0.919 248 E CB 0.330 30.096 29.700 0.110 0.000 1.025 248 E HN 0.301 nan 8.360 nan 0.000 0.438 249 P HA 0.112 nan 4.420 nan 0.000 0.275 249 P C -2.159 175.137 177.300 -0.007 0.000 1.266 249 P CA -1.224 61.929 63.100 0.088 0.000 0.793 249 P CB -0.018 31.689 31.700 0.011 0.000 1.074 250 P HA -0.114 nan 4.420 nan 0.000 0.218 250 P C 1.485 178.661 177.300 -0.207 0.000 1.149 250 P CA 1.420 64.233 63.100 -0.478 0.000 0.817 250 P CB -0.126 31.164 31.700 -0.684 0.000 0.785 251 E N -0.266 119.848 120.200 -0.143 0.000 2.209 251 E HA -0.230 4.120 4.350 0.001 0.000 0.196 251 E C 1.615 178.155 176.600 -0.100 0.000 0.993 251 E CA 1.199 57.535 56.400 -0.107 0.000 0.819 251 E CB -0.551 29.111 29.700 -0.064 0.000 0.745 251 E HN 0.316 nan 8.360 nan 0.000 0.477 252 D N 0.273 120.639 120.400 -0.056 0.000 2.117 252 D HA -0.150 4.490 4.640 0.001 0.000 0.197 252 D C 2.074 178.328 176.300 -0.077 0.000 0.987 252 D CA 1.061 55.043 54.000 -0.031 0.000 0.829 252 D CB -0.034 40.787 40.800 0.035 0.000 0.961 252 D HN 0.069 nan 8.370 nan 0.000 0.460 253 M N -0.394 119.139 119.600 -0.111 0.000 2.117 253 M HA -0.111 4.369 4.480 0.001 0.000 0.262 253 M C 1.912 177.870 176.300 -0.571 0.000 1.065 253 M CA 1.202 56.335 55.300 -0.278 0.000 1.114 253 M CB -0.026 32.410 32.600 -0.275 0.000 1.361 253 M HN 0.130 nan 8.290 nan 0.000 0.408 254 L N -0.359 120.571 121.223 -0.489 0.000 2.083 254 L HA -0.207 4.133 4.340 0.001 0.000 0.209 254 L C 2.330 178.970 176.870 -0.383 0.000 1.083 254 L CA 1.128 55.681 54.840 -0.479 0.000 0.752 254 L CB -0.697 41.211 42.059 -0.251 0.000 0.899 254 L HN 0.288 nan 8.230 nan 0.000 0.433 255 E N 0.253 120.300 120.200 -0.254 0.000 2.072 255 E HA -0.220 4.131 4.350 0.001 0.000 0.191 255 E C 2.225 178.756 176.600 -0.114 0.000 0.985 255 E CA 1.235 57.525 56.400 -0.183 0.000 0.801 255 E CB -0.019 29.617 29.700 -0.106 0.000 0.750 255 E HN 0.377 nan 8.360 nan 0.000 0.452 256 Q N -1.027 118.730 119.800 -0.072 0.000 2.096 256 Q HA -0.170 4.170 4.340 0.001 0.000 0.204 256 Q C 1.847 177.942 176.000 0.158 0.000 0.982 256 Q CA 1.394 57.221 55.803 0.040 0.000 0.850 256 Q CB -0.215 28.568 28.738 0.075 0.000 0.901 256 Q HN 0.298 nan 8.270 nan 0.000 0.422 257 F N 0.961 120.828 119.950 -0.138 0.000 2.102 257 F HA -0.165 4.363 4.527 0.000 0.000 0.298 257 F C 2.306 178.000 175.800 -0.177 0.000 1.105 257 F CA 1.267 59.183 58.000 -0.139 0.000 1.239 257 F CB -0.722 38.185 39.000 -0.155 0.000 0.991 257 F HN 0.036 nan 8.300 nan 0.000 0.474 258 K N -0.534 119.773 120.400 -0.155 0.000 2.057 258 K HA -0.159 4.161 4.320 0.001 0.000 0.206 258 K C 2.257 178.810 176.600 -0.078 0.000 1.050 258 K CA 1.686 57.806 56.287 -0.278 0.000 0.935 258 K CB -0.365 31.817 32.500 -0.530 0.000 0.715 258 K HN 0.154 nan 8.250 nan 0.000 0.439 259 T N -0.309 114.216 114.554 -0.047 0.000 2.867 259 T HA -0.042 4.309 4.350 0.001 0.000 0.268 259 T C 1.644 176.363 174.700 0.031 0.000 1.057 259 T CA 1.135 63.234 62.100 -0.002 0.000 1.136 259 T CB 0.002 68.873 68.868 0.004 0.000 0.874 259 T HN 0.072 nan 8.240 nan 0.000 0.466 260 V N 1.511 121.452 119.914 0.045 0.000 2.488 260 V HA 0.008 4.128 4.120 0.001 0.000 0.246 260 V C 2.666 178.792 176.094 0.052 0.000 1.046 260 V CA 1.718 64.052 62.300 0.056 0.000 1.053 260 V CB -0.596 31.262 31.823 0.058 0.000 0.679 260 V HN 0.356 nan 8.190 nan 0.000 0.458 261 R N 1.756 122.282 120.500 0.044 0.000 2.083 261 R HA -0.137 4.204 4.340 0.001 0.000 0.237 261 R C 2.111 178.445 176.300 0.057 0.000 1.137 261 R CA 2.169 58.301 56.100 0.053 0.000 0.951 261 R CB -1.030 29.318 30.300 0.079 0.000 0.851 261 R HN 0.407 nan 8.270 nan 0.000 0.434 262 A N 0.409 123.259 122.820 0.049 0.000 1.933 262 A HA -0.069 4.251 4.320 0.001 0.000 0.218 262 A C 2.308 179.924 177.584 0.052 0.000 1.175 262 A CA 1.505 53.570 52.037 0.047 0.000 0.628 262 A CB -0.588 18.433 19.000 0.036 0.000 0.814 262 A HN 0.376 nan 8.150 nan 0.000 0.444 263 L N -0.586 120.673 121.223 0.060 0.000 2.083 263 L HA -0.185 4.156 4.340 0.001 0.000 0.209 263 L C 2.430 179.350 176.870 0.083 0.000 1.083 263 L CA 1.244 56.129 54.840 0.075 0.000 0.752 263 L CB -0.465 41.647 42.059 0.088 0.000 0.899 263 L HN 0.386 nan 8.230 nan 0.000 0.433 264 I N -0.694 119.924 120.570 0.081 0.000 2.226 264 I HA -0.287 3.883 4.170 0.001 0.000 0.245 264 I C 2.611 178.769 176.117 0.069 0.000 1.100 264 I CA 1.254 62.607 61.300 0.089 0.000 1.374 264 I CB -0.340 37.712 38.000 0.087 0.000 1.057 264 I HN 0.189 nan 8.210 nan 0.000 0.413 265 R N 0.405 120.935 120.500 0.049 0.000 2.189 265 R HA -0.147 4.193 4.340 0.001 0.000 0.223 265 R C 2.010 178.315 176.300 0.008 0.000 1.092 265 R CA 0.981 57.093 56.100 0.020 0.000 0.989 265 R CB -0.155 30.160 30.300 0.024 0.000 0.876 265 R HN 0.530 nan 8.270 nan 0.000 0.457 266 Q N -0.007 119.811 119.800 0.029 0.000 2.402 266 Q HA 0.021 4.361 4.340 0.001 0.000 0.206 266 Q C 0.814 176.834 176.000 0.034 0.000 0.919 266 Q CA 0.350 56.170 55.803 0.029 0.000 0.923 266 Q CB 0.609 29.373 28.738 0.044 0.000 1.048 266 Q HN 0.183 nan 8.270 nan 0.000 0.515 267 S N 0.495 116.225 115.700 0.049 0.000 2.634 267 S HA 0.175 4.646 4.470 0.001 0.000 0.261 267 S C -1.987 172.598 174.600 -0.025 0.000 1.271 267 S CA -1.175 57.056 58.200 0.053 0.000 0.985 267 S CB 0.293 63.558 63.200 0.109 0.000 0.968 267 S HN -0.139 nan 8.310 nan 0.000 0.568 268 P HA 0.178 nan 4.420 nan 0.000 0.239 268 P C -0.546 176.475 177.300 -0.466 0.000 1.184 268 P CA 0.725 63.635 63.100 -0.318 0.000 0.760 268 P CB -0.257 31.140 31.700 -0.504 0.000 0.884 269 F N 0.015 119.905 119.950 -0.101 0.000 2.523 269 F HA 0.321 4.848 4.527 0.001 0.000 0.322 269 F C -1.499 174.275 175.800 -0.045 0.000 1.361 269 F CA -2.231 55.733 58.000 -0.060 0.000 1.151 269 F CB 0.987 39.961 39.000 -0.044 0.000 1.391 269 F HN -0.093 nan 8.300 nan 0.000 0.566 270 P HA -0.160 nan 4.420 nan 0.000 0.223 270 P C 1.137 178.421 177.300 -0.027 0.000 1.151 270 P CA 1.552 64.612 63.100 -0.066 0.000 0.787 270 P CB 0.248 31.817 31.700 -0.219 0.000 0.788 271 H N -0.824 118.298 119.070 0.086 0.000 2.548 271 H HA 0.226 4.782 4.556 0.000 0.000 0.265 271 H C 1.012 176.388 175.328 0.081 0.000 0.969 271 H CA -0.247 55.844 56.048 0.072 0.000 1.155 271 H CB -0.452 29.349 29.762 0.064 0.000 1.394 271 H HN 0.152 nan 8.280 nan 0.000 0.570 272 L N 2.886 124.238 121.223 0.216 0.000 2.540 272 L HA 0.033 4.373 4.340 0.001 0.000 0.276 272 L C -1.733 175.195 176.870 0.098 0.000 1.212 272 L CA -1.508 53.432 54.840 0.167 0.000 0.893 272 L CB 0.035 42.183 42.059 0.147 0.000 1.138 272 L HN -0.076 nan 8.230 nan 0.000 0.491 273 P HA -0.018 nan 4.420 nan 0.000 0.266 273 P C -0.798 176.397 177.300 -0.176 0.000 1.193 273 P CA -0.168 62.867 63.100 -0.108 0.000 0.770 273 P CB 0.487 32.098 31.700 -0.148 0.000 0.836 274 L N 4.717 125.753 121.223 -0.311 0.000 2.318 274 L HA 0.333 4.674 4.340 0.001 0.000 0.277 274 L C -0.990 175.668 176.870 -0.354 0.000 1.008 274 L CA -0.303 54.400 54.840 -0.229 0.000 0.846 274 L CB -0.039 41.948 42.059 -0.121 0.000 1.220 274 L HN 0.371 nan 8.230 nan 0.000 0.423 275 H N 6.630 125.724 119.070 0.040 0.000 2.581 275 H HA 0.373 4.930 4.556 0.001 0.000 0.308 275 H C -0.189 175.126 175.328 -0.021 0.000 1.040 275 H CA -0.773 55.275 56.048 -0.001 0.000 1.231 275 H CB 1.586 31.378 29.762 0.049 0.000 1.396 275 H HN 0.407 nan 8.280 nan 0.000 0.467 276 I N 4.375 124.953 120.570 0.014 0.000 2.357 276 I HA -0.071 4.099 4.170 0.001 0.000 0.300 276 I C 1.554 177.682 176.117 0.018 0.000 1.159 276 I CA 0.233 61.522 61.300 -0.019 0.000 1.339 276 I CB -0.496 37.397 38.000 -0.178 0.000 1.458 276 I HN 0.531 nan 8.210 nan 0.000 0.577 277 T N 1.649 116.172 114.554 -0.052 0.000 3.160 277 T HA 0.139 4.489 4.350 0.001 0.000 0.257 277 T C 0.574 175.030 174.700 -0.406 0.000 1.147 277 T CA 0.300 62.237 62.100 -0.271 0.000 1.064 277 T CB 0.107 68.743 68.868 -0.387 0.000 0.949 277 T HN 0.568 nan 8.240 nan 0.000 0.526 278 E N 0.147 120.071 120.200 -0.461 0.000 2.321 278 E HA 0.505 4.856 4.350 0.001 0.000 0.281 278 E C -1.842 174.522 176.600 -0.393 0.000 0.910 278 E CA -1.135 54.885 56.400 -0.633 0.000 0.770 278 E CB 2.165 31.051 29.700 -1.358 0.000 1.225 278 E HN 0.537 nan 8.360 nan 0.000 0.417 279 Y N 1.332 121.357 120.300 -0.459 0.000 2.552 279 Y HA 0.709 5.260 4.550 0.001 0.000 0.337 279 Y C -1.334 174.347 175.900 -0.364 0.000 1.094 279 Y CA -0.608 57.192 58.100 -0.500 0.000 1.028 279 Y CB 1.747 40.213 38.460 0.010 0.000 1.321 279 Y HN 0.609 nan 8.280 nan 0.000 0.456 280 N N -0.377 118.158 118.700 -0.274 0.000 3.356 280 N HA 0.226 4.966 4.740 0.001 0.000 0.246 280 N C 0.154 175.786 175.510 0.204 0.000 1.480 280 N CA -0.139 52.896 53.050 -0.026 0.000 0.877 280 N CB 1.443 39.947 38.487 0.029 0.000 1.431 280 N HN 0.903 nan 8.380 nan 0.000 0.500 281 T N -1.231 113.345 114.554 0.038 0.000 2.545 281 T HA -0.073 4.277 4.350 0.001 0.000 0.261 281 T C 1.095 175.782 174.700 -0.021 0.000 1.097 281 T CA 1.134 63.120 62.100 -0.190 0.000 1.189 281 T CB -0.562 68.006 68.868 -0.500 0.000 0.863 281 T HN 0.321 nan 8.240 nan 0.000 0.405 282 S N 0.976 116.596 115.700 -0.133 0.000 2.541 282 S HA 0.396 4.866 4.470 0.001 0.000 0.283 282 S C 0.232 174.914 174.600 0.137 0.000 1.196 282 S CA -1.007 57.097 58.200 -0.159 0.000 1.062 282 S CB 0.661 63.668 63.200 -0.322 0.000 1.009 282 S HN 0.553 nan 8.310 nan 0.000 0.502 283 Y N 2.423 122.674 120.300 -0.082 0.000 2.495 283 Y HA 0.507 5.057 4.550 0.000 0.000 0.293 283 Y C 0.541 176.577 175.900 0.227 0.000 1.186 283 Y CA -0.915 56.957 58.100 -0.380 0.000 1.266 283 Y CB -0.818 37.050 38.460 -0.986 0.000 1.101 283 Y HN 0.420 nan 8.280 nan 0.000 0.517 284 S N 2.482 118.361 115.700 0.298 0.000 2.478 284 S HA 0.418 4.889 4.470 0.001 0.000 0.312 284 S C -2.163 172.089 174.600 -0.580 0.000 1.094 284 S CA -1.820 56.397 58.200 0.030 0.000 1.081 284 S CB 1.441 64.594 63.200 -0.078 0.000 1.007 284 S HN 0.075 nan 8.310 nan 0.000 0.475 285 P HA 0.151 nan 4.420 nan 0.000 0.252 285 P C 0.395 177.250 177.300 -0.740 0.000 1.265 285 P CA 0.340 62.646 63.100 -1.324 0.000 0.775 285 P CB -0.680 30.645 31.700 -0.624 0.000 1.128 286 I N -4.418 115.850 120.570 -0.504 0.000 3.007 286 I HA 0.445 4.616 4.170 0.001 0.000 0.333 286 I C -0.481 175.503 176.117 -0.222 0.000 1.489 286 I CA -0.720 60.391 61.300 -0.315 0.000 0.906 286 I CB -0.032 37.844 38.000 -0.208 0.000 1.702 286 I HN -0.290 nan 8.210 nan 0.000 0.548 287 N N 2.868 121.423 118.700 -0.242 0.000 2.511 287 N HA 0.421 5.161 4.740 0.001 0.000 0.249 287 N C -2.005 173.350 175.510 -0.259 0.000 0.971 287 N CA -2.252 50.648 53.050 -0.250 0.000 0.938 287 N CB 2.091 40.457 38.487 -0.202 0.000 1.131 287 N HN -0.071 nan 8.380 nan 0.000 0.505 288 P HA -0.173 nan 4.420 nan 0.000 0.221 288 P C 1.485 178.526 177.300 -0.431 0.000 1.141 288 P CA 0.574 63.439 63.100 -0.392 0.000 0.794 288 P CB 0.471 31.924 31.700 -0.411 0.000 0.764 289 V N -0.191 119.505 119.914 -0.364 0.000 2.453 289 V HA -0.300 3.820 4.120 0.001 0.000 0.252 289 V C 2.077 177.940 176.094 -0.385 0.000 1.068 289 V CA 2.012 64.084 62.300 -0.380 0.000 1.070 289 V CB -1.075 30.550 31.823 -0.330 0.000 0.664 289 V HN 0.280 nan 8.190 nan 0.000 0.461 290 H N -0.098 118.785 119.070 -0.312 0.000 2.489 290 H HA -0.079 4.478 4.556 0.001 0.000 0.293 290 H C 1.487 176.645 175.328 -0.283 0.000 1.066 290 H CA 1.626 57.532 56.048 -0.237 0.000 1.305 290 H CB -0.043 29.568 29.762 -0.252 0.000 1.386 290 H HN 0.597 nan 8.280 nan 0.000 0.551 291 D N 0.928 121.112 120.400 -0.360 0.000 2.328 291 D HA 0.005 4.645 4.640 0.001 0.000 0.221 291 D C 1.009 176.924 176.300 -0.641 0.000 1.072 291 D CA 0.207 53.895 54.000 -0.519 0.000 0.850 291 D CB 0.423 40.800 40.800 -0.704 0.000 0.922 291 D HN 0.375 nan 8.370 nan 0.000 0.516 292 T N -3.612 110.621 114.554 -0.534 0.000 2.950 292 T HA 0.600 4.951 4.350 0.001 0.000 0.288 292 T C 1.377 175.997 174.700 -0.133 0.000 1.035 292 T CA -0.515 61.321 62.100 -0.439 0.000 1.028 292 T CB 2.304 70.840 68.868 -0.553 0.000 1.109 292 T HN -0.152 nan 8.240 nan 0.000 0.514 293 A N 0.628 123.440 122.820 -0.013 0.000 1.933 293 A HA 0.042 4.362 4.320 0.001 0.000 0.218 293 A C 2.172 179.794 177.584 0.063 0.000 1.175 293 A CA 1.557 53.633 52.037 0.064 0.000 0.628 293 A CB -1.135 17.932 19.000 0.111 0.000 0.814 293 A HN 0.929 nan 8.150 nan 0.000 0.444 294 L N 0.213 121.455 121.223 0.031 0.000 2.013 294 L HA -0.257 4.083 4.340 0.001 0.000 0.212 294 L C 2.290 179.203 176.870 0.072 0.000 1.073 294 L CA 2.255 57.129 54.840 0.057 0.000 0.753 294 L CB -0.494 41.578 42.059 0.023 0.000 0.890 294 L HN 0.551 nan 8.230 nan 0.000 0.432 295 N N -0.565 118.134 118.700 -0.002 0.000 2.094 295 N HA -0.247 4.493 4.740 0.001 0.000 0.191 295 N C 1.756 177.331 175.510 0.108 0.000 1.023 295 N CA 1.498 54.563 53.050 0.025 0.000 0.857 295 N CB -0.034 38.441 38.487 -0.021 0.000 1.013 295 N HN 0.557 nan 8.380 nan 0.000 0.426 296 A N 0.940 123.810 122.820 0.083 0.000 1.873 296 A HA 0.042 4.362 4.320 0.001 0.000 0.215 296 A C 2.400 180.030 177.584 0.078 0.000 1.186 296 A CA 1.684 53.768 52.037 0.078 0.000 0.616 296 A CB -0.916 18.134 19.000 0.084 0.000 0.823 296 A HN 0.425 nan 8.150 nan 0.000 0.442 297 A N -1.326 121.572 122.820 0.129 0.000 1.892 297 A HA -0.207 4.113 4.320 0.001 0.000 0.218 297 A C 2.149 179.789 177.584 0.093 0.000 1.188 297 A CA 1.829 53.964 52.037 0.162 0.000 0.631 297 A CB -1.028 18.097 19.000 0.207 0.000 0.822 297 A HN 0.696 nan 8.150 nan 0.000 0.447 298 Y N -0.602 119.708 120.300 0.017 0.000 2.081 298 Y HA -0.230 4.321 4.550 0.001 0.000 0.280 298 Y C 2.120 177.977 175.900 -0.072 0.000 1.163 298 Y CA 2.232 60.332 58.100 -0.001 0.000 1.135 298 Y CB -0.197 38.281 38.460 0.029 0.000 0.970 298 Y HN 0.267 nan 8.280 nan 0.000 0.498 299 I N -0.266 120.420 120.570 0.194 0.000 2.761 299 I HA -0.135 4.035 4.170 0.001 0.000 0.261 299 I C 2.382 178.350 176.117 -0.249 0.000 1.198 299 I CA 1.070 62.450 61.300 0.133 0.000 1.482 299 I CB -0.498 37.657 38.000 0.259 0.000 1.100 299 I HN 0.306 nan 8.210 nan 0.000 0.445 300 A N 0.389 122.939 122.820 -0.449 0.000 1.902 300 A HA -0.259 4.061 4.320 0.001 0.000 0.217 300 A C 2.363 179.236 177.584 -1.186 0.000 1.181 300 A CA 1.841 53.374 52.037 -0.839 0.000 0.623 300 A CB -0.527 18.065 19.000 -0.681 0.000 0.818 300 A HN 0.327 nan 8.150 nan 0.000 0.443 301 R N 0.263 120.066 120.500 -1.162 0.000 2.105 301 R HA -0.122 4.218 4.340 0.001 0.000 0.239 301 R C 1.635 177.727 176.300 -0.346 0.000 1.135 301 R CA 1.905 57.609 56.100 -0.659 0.000 0.967 301 R CB -0.607 29.549 30.300 -0.240 0.000 0.861 301 R HN 0.475 nan 8.270 nan 0.000 0.442 302 I N 0.400 120.791 120.570 -0.299 0.000 2.233 302 I HA -0.186 3.984 4.170 0.001 0.000 0.243 302 I C 2.210 178.271 176.117 -0.093 0.000 1.093 302 I CA 1.014 62.209 61.300 -0.174 0.000 1.380 302 I CB -1.109 36.866 38.000 -0.042 0.000 1.067 302 I HN 0.186 nan 8.210 nan 0.000 0.413 303 L N 0.485 121.571 121.223 -0.229 0.000 2.129 303 L HA -0.239 4.101 4.340 0.001 0.000 0.212 303 L C 2.726 179.556 176.870 -0.067 0.000 1.087 303 L CA 1.678 56.326 54.840 -0.320 0.000 0.757 303 L CB -0.606 40.532 42.059 -1.536 0.000 0.896 303 L HN 0.291 nan 8.230 nan 0.000 0.434 304 S N -0.897 114.741 115.700 -0.102 0.000 2.428 304 S HA -0.124 4.346 4.470 0.001 0.000 0.230 304 S C 1.718 176.437 174.600 0.198 0.000 1.014 304 S CA 1.190 59.488 58.200 0.163 0.000 0.957 304 S CB 0.115 63.399 63.200 0.141 0.000 0.784 304 S HN 0.493 nan 8.310 nan 0.000 0.499 305 E N -0.941 119.322 120.200 0.105 0.000 2.474 305 E HA 0.190 4.540 4.350 0.001 0.000 0.215 305 E C 1.954 178.539 176.600 -0.024 0.000 0.867 305 E CA 0.383 56.820 56.400 0.061 0.000 1.135 305 E CB 0.002 29.740 29.700 0.064 0.000 1.147 305 E HN 0.557 nan 8.360 nan 0.000 0.534 306 G N 1.076 109.801 108.800 -0.126 0.000 2.432 306 G HA2 -0.228 3.733 3.960 0.001 0.000 0.219 306 G HA3 -0.228 3.733 3.960 0.001 0.000 0.219 306 G C 1.480 176.160 174.900 -0.366 0.000 1.135 306 G CA 0.867 45.749 45.100 -0.363 0.000 0.767 306 G HN 0.332 nan 8.290 nan 0.000 0.550 307 G N 0.684 109.410 108.800 -0.123 0.000 2.470 307 G HA2 -0.133 3.827 3.960 0.001 0.000 0.220 307 G HA3 -0.133 3.827 3.960 0.001 0.000 0.220 307 G C 1.310 176.149 174.900 -0.102 0.000 1.121 307 G CA 1.058 46.196 45.100 0.063 0.000 0.766 307 G HN 0.330 nan 8.290 nan 0.000 0.553 308 D N -0.595 119.633 120.400 -0.288 0.000 2.263 308 D HA -0.042 4.599 4.640 0.001 0.000 0.208 308 D C 1.383 177.308 176.300 -0.626 0.000 0.971 308 D CA 0.836 54.509 54.000 -0.546 0.000 0.867 308 D CB -0.067 40.158 40.800 -0.957 0.000 0.929 308 D HN 0.622 nan 8.370 nan 0.000 0.492 309 Y N -0.948 119.346 120.300 -0.010 0.000 2.467 309 Y HA 0.169 4.720 4.550 0.001 0.000 0.259 309 Y C 0.744 176.591 175.900 -0.087 0.000 1.084 309 Y CA -0.500 57.589 58.100 -0.017 0.000 1.275 309 Y CB 0.997 39.485 38.460 0.048 0.000 1.208 309 Y HN -0.226 nan 8.280 nan 0.000 0.511 310 V N -3.568 116.325 119.914 -0.036 0.000 3.007 310 V HA 0.393 4.513 4.120 0.001 0.000 0.311 310 V C -0.102 175.945 176.094 -0.078 0.000 1.120 310 V CA -0.955 61.268 62.300 -0.128 0.000 0.980 310 V CB 2.245 33.869 31.823 -0.331 0.000 1.033 310 V HN 0.025 nan 8.190 nan 0.000 0.429 311 D N 1.581 121.903 120.400 -0.131 0.000 2.224 311 D HA 0.043 4.684 4.640 0.001 0.000 0.205 311 D C 0.837 177.086 176.300 -0.085 0.000 0.965 311 D CA 1.869 55.782 54.000 -0.145 0.000 0.852 311 D CB 0.622 41.261 40.800 -0.269 0.000 0.947 311 D HN 0.901 nan 8.370 nan 0.000 0.494 312 S N -0.082 115.673 115.700 0.091 0.000 2.552 312 S HA 0.526 4.997 4.470 0.001 0.000 0.272 312 S C -1.412 173.408 174.600 0.366 0.000 1.150 312 S CA -1.076 57.268 58.200 0.239 0.000 0.849 312 S CB 1.259 64.550 63.200 0.152 0.000 1.113 312 S HN 0.056 nan 8.310 nan 0.000 0.458 313 F N -0.614 119.405 119.950 0.116 0.000 2.671 313 F HA 0.782 5.310 4.527 0.000 0.000 0.332 313 F C -0.418 175.664 175.800 0.471 0.000 1.189 313 F CA -1.196 56.873 58.000 0.115 0.000 0.988 313 F CB 1.305 40.224 39.000 -0.134 0.000 1.258 313 F HN 0.583 nan 8.300 nan 0.000 0.471 314 S N 3.907 119.883 115.700 0.460 0.000 2.423 314 S HA 0.310 4.780 4.470 0.001 0.000 0.317 314 S C -0.967 173.740 174.600 0.178 0.000 1.065 314 S CA -0.375 57.971 58.200 0.243 0.000 1.111 314 S CB -0.084 63.121 63.200 0.009 0.000 0.968 314 S HN 0.616 nan 8.310 nan 0.000 0.474 315 Y N 5.858 126.108 120.300 -0.082 0.000 2.677 315 Y HA 0.108 4.658 4.550 0.001 0.000 0.335 315 Y C 0.025 175.752 175.900 -0.287 0.000 1.162 315 Y CA -0.009 57.779 58.100 -0.521 0.000 1.483 315 Y CB 0.292 38.552 38.460 -0.334 0.000 1.209 315 Y HN 0.725 nan 8.280 nan 0.000 0.528 316 W N 9.894 130.633 121.300 -0.935 0.000 2.433 316 W HA 0.308 4.968 4.660 0.000 0.000 0.331 316 W C -0.915 175.036 176.519 -0.946 0.000 1.110 316 W CA -0.121 56.742 57.345 -0.804 0.000 1.450 316 W CB 0.655 29.642 29.460 -0.788 0.000 1.348 316 W HN 0.745 nan 8.180 nan 0.000 0.415 317 T N 1.409 115.592 114.554 -0.619 0.000 2.778 317 T HA 0.320 4.670 4.350 0.001 0.000 0.293 317 T C 0.415 174.996 174.700 -0.199 0.000 1.144 317 T CA -0.702 61.096 62.100 -0.504 0.000 1.010 317 T CB 1.120 69.521 68.868 -0.779 0.000 1.325 317 T HN 0.323 nan 8.240 nan 0.000 0.515 318 F N -0.060 119.675 119.950 -0.357 0.000 2.558 318 F HA 0.507 5.035 4.527 0.001 0.000 0.298 318 F C 0.592 176.275 175.800 -0.196 0.000 1.119 318 F CA 0.231 58.054 58.000 -0.295 0.000 1.451 318 F CB -0.026 38.741 39.000 -0.388 0.000 1.091 318 F HN 0.681 nan 8.300 nan 0.000 0.563 319 S N -0.365 114.728 115.700 -1.012 0.000 2.535 319 S HA 0.232 4.702 4.470 0.001 0.000 0.272 319 S C -0.351 173.850 174.600 -0.665 0.000 1.149 319 S CA -0.749 56.843 58.200 -1.014 0.000 0.888 319 S CB 1.059 63.167 63.200 -1.820 0.000 1.110 319 S HN 0.106 nan 8.310 nan 0.000 0.463 320 D N 1.820 121.942 120.400 -0.463 0.000 2.392 320 D HA 0.050 4.691 4.640 0.001 0.000 0.228 320 D C 0.529 176.674 176.300 -0.258 0.000 1.003 320 D CA 0.568 54.398 54.000 -0.284 0.000 0.917 320 D CB -0.076 40.656 40.800 -0.113 0.000 0.890 320 D HN 0.365 nan 8.370 nan 0.000 0.532 321 V N 2.012 121.694 119.914 -0.386 0.000 2.393 321 V HA 0.052 4.172 4.120 0.001 0.000 0.257 321 V C -0.204 175.890 176.094 -0.000 0.000 1.040 321 V CA 0.378 62.539 62.300 -0.231 0.000 1.097 321 V CB -1.017 30.658 31.823 -0.246 0.000 1.101 321 V HN -0.053 nan 8.190 nan 0.000 0.479 322 F N 2.815 122.649 119.950 -0.193 0.000 2.678 322 F HA 0.444 4.971 4.527 0.001 0.000 0.308 322 F C 0.400 176.149 175.800 -0.085 0.000 1.118 322 F CA -0.688 57.233 58.000 -0.132 0.000 0.959 322 F CB 2.338 41.258 39.000 -0.132 0.000 1.305 322 F HN 0.374 nan 8.300 nan 0.000 0.443 323 E N 1.663 121.731 120.200 -0.219 0.000 2.862 323 E HA 0.062 4.413 4.350 0.001 0.000 0.204 323 E C 0.555 177.220 176.600 0.107 0.000 0.966 323 E CA 0.078 56.458 56.400 -0.033 0.000 1.257 323 E CB 0.707 30.445 29.700 0.062 0.000 1.053 323 E HN 0.713 nan 8.360 nan 0.000 0.487 324 E N 0.725 120.855 120.200 -0.116 0.000 2.085 324 E HA -0.076 4.274 4.350 0.001 0.000 0.194 324 E C 1.000 177.670 176.600 0.117 0.000 0.994 324 E CA 1.005 57.304 56.400 -0.168 0.000 0.801 324 E CB 0.170 29.640 29.700 -0.384 0.000 0.743 324 E HN 0.205 nan 8.360 nan 0.000 0.453 325 M N 1.387 121.049 119.600 0.103 0.000 2.972 325 M HA 0.137 4.617 4.480 0.001 0.000 0.323 325 M C -0.743 175.508 176.300 -0.083 0.000 1.213 325 M CA -0.204 55.127 55.300 0.052 0.000 0.935 325 M CB 0.411 33.010 32.600 -0.003 0.000 1.289 325 M HN -0.062 nan 8.290 nan 0.000 0.525 326 D N 0.299 120.518 120.400 -0.301 0.000 10.655 326 D HA -0.142 4.498 4.640 0.001 0.000 0.358 326 D C -0.799 175.260 176.300 -0.402 0.000 3.091 326 D CA 0.345 53.876 54.000 -0.782 0.000 2.547 326 D CB 0.617 41.098 40.800 -0.531 0.000 1.197 326 D HN 0.101 nan 8.370 nan 0.000 0.966 327 V N 2.204 121.881 119.914 -0.395 0.000 2.673 327 V HA 0.175 4.296 4.120 0.001 0.000 0.303 327 V C -1.478 174.519 176.094 -0.160 0.000 1.046 327 V CA -0.588 61.585 62.300 -0.212 0.000 1.126 327 V CB 0.359 32.091 31.823 -0.152 0.000 0.934 327 V HN 0.429 nan 8.190 nan 0.000 0.487 328 P HA -0.004 nan 4.420 nan 0.000 0.261 328 P C 0.329 177.559 177.300 -0.117 0.000 1.165 328 P CA 0.501 63.403 63.100 -0.330 0.000 0.759 328 P CB 0.294 31.556 31.700 -0.731 0.000 0.772 329 K N 1.415 121.792 120.400 -0.039 0.000 2.367 329 K HA 0.381 4.701 4.320 0.001 0.000 0.194 329 K C 0.515 177.111 176.600 -0.008 0.000 1.027 329 K CA 0.117 56.453 56.287 0.082 0.000 1.075 329 K CB 0.579 33.136 32.500 0.095 0.000 0.845 329 K HN 0.519 nan 8.250 nan 0.000 0.529 330 A N 0.109 122.892 122.820 -0.061 0.000 2.602 330 A HA 0.264 4.584 4.320 0.001 0.000 0.290 330 A C 0.075 177.565 177.584 -0.157 0.000 1.114 330 A CA -0.682 51.291 52.037 -0.107 0.000 0.683 330 A CB 0.597 19.662 19.000 0.109 0.000 1.281 330 A HN 0.010 nan 8.150 nan 0.000 0.416 331 L N 0.493 121.591 121.223 -0.208 0.000 1.971 331 L HA 0.068 4.409 4.340 0.001 0.000 0.215 331 L C 0.365 176.834 176.870 -0.669 0.000 1.072 331 L CA 2.120 56.681 54.840 -0.465 0.000 0.758 331 L CB -0.623 41.088 42.059 -0.580 0.000 0.889 331 L HN 0.560 nan 8.230 nan 0.000 0.433 332 F N 0.696 120.263 119.950 -0.638 0.000 2.334 332 F HA 0.271 4.799 4.527 0.001 0.000 0.367 332 F C 0.858 176.533 175.800 -0.208 0.000 1.115 332 F CA -0.414 57.290 58.000 -0.493 0.000 1.116 332 F CB 0.671 39.204 39.000 -0.780 0.000 1.230 332 F HN 0.258 nan 8.300 nan 0.000 0.484 333 H N 1.231 120.275 119.070 -0.044 0.000 3.078 333 H HA 0.320 4.876 4.556 0.001 0.000 0.263 333 H C 1.161 176.501 175.328 0.020 0.000 1.177 333 H CA -0.109 55.962 56.048 0.039 0.000 1.128 333 H CB 0.496 30.220 29.762 -0.062 0.000 1.623 333 H HN 0.760 nan 8.280 nan 0.000 0.592 334 G N 0.820 109.348 108.800 -0.454 0.000 2.136 334 G HA2 -0.237 3.723 3.960 0.001 0.000 0.242 334 G HA3 -0.237 3.723 3.960 0.001 0.000 0.242 334 G C 0.733 175.146 174.900 -0.811 0.000 0.989 334 G CA 0.177 44.990 45.100 -0.478 0.000 0.682 334 G HN 0.863 nan 8.290 nan 0.000 0.522 335 G N -1.028 106.981 108.800 -1.317 0.000 2.614 335 G HA2 0.427 4.387 3.960 0.001 0.000 0.239 335 G HA3 0.427 4.387 3.960 0.001 0.000 0.239 335 G C 0.865 175.140 174.900 -1.042 0.000 1.240 335 G CA -0.065 44.358 45.100 -1.129 0.000 0.842 335 G HN 0.247 nan 8.290 nan 0.000 0.584 336 F N 1.249 120.572 119.950 -1.046 0.000 2.293 336 F HA 0.036 4.564 4.527 0.001 0.000 0.300 336 F C 2.435 177.903 175.800 -0.553 0.000 1.086 336 F CA 0.230 57.612 58.000 -1.030 0.000 1.375 336 F CB -0.123 38.256 39.000 -1.034 0.000 1.045 336 F HN 0.516 nan 8.300 nan 0.000 0.516 337 G N 0.529 109.140 108.800 -0.314 0.000 2.414 337 G HA2 0.066 4.026 3.960 0.001 0.000 0.236 337 G HA3 0.066 4.026 3.960 0.001 0.000 0.236 337 G C 0.882 175.755 174.900 -0.045 0.000 1.293 337 G CA -0.476 44.484 45.100 -0.233 0.000 0.869 337 G HN 0.228 nan 8.290 nan 0.000 0.556 338 L N 1.286 122.506 121.223 -0.007 0.000 2.093 338 L HA -0.021 4.320 4.340 0.001 0.000 0.208 338 L C 0.808 177.709 176.870 0.052 0.000 1.085 338 L CA 0.754 55.616 54.840 0.037 0.000 0.755 338 L CB -0.347 41.724 42.059 0.019 0.000 0.904 338 L HN 0.212 nan 8.230 nan 0.000 0.435 339 V N -0.287 119.622 119.914 -0.008 0.000 2.513 339 V HA 0.576 4.696 4.120 0.001 0.000 0.299 339 V C 0.212 176.290 176.094 -0.026 0.000 1.035 339 V CA -0.880 61.405 62.300 -0.024 0.000 0.889 339 V CB 1.486 33.355 31.823 0.077 0.000 0.988 339 V HN 0.143 nan 8.190 nan 0.000 0.440 340 A N 4.534 127.366 122.820 0.020 0.000 2.279 340 A HA 0.772 5.093 4.320 0.001 0.000 0.303 340 A C -0.021 177.535 177.584 -0.047 0.000 1.108 340 A CA -0.641 51.372 52.037 -0.040 0.000 0.830 340 A CB 0.317 19.309 19.000 -0.013 0.000 1.106 340 A HN 0.851 nan 8.150 nan 0.000 0.493 341 L N 1.964 123.040 121.223 -0.247 0.000 2.536 341 L HA -0.036 4.305 4.340 0.001 0.000 0.294 341 L C 0.688 177.442 176.870 -0.193 0.000 1.257 341 L CA 0.531 55.163 54.840 -0.347 0.000 0.850 341 L CB -0.237 41.517 42.059 -0.508 0.000 1.105 341 L HN 0.955 nan 8.230 nan 0.000 0.517 342 H N 0.613 119.718 119.070 0.059 0.000 2.992 342 H HA -0.170 4.386 4.556 0.001 0.000 0.266 342 H C 0.935 176.262 175.328 -0.002 0.000 1.200 342 H CA 0.574 56.644 56.048 0.036 0.000 1.135 342 H CB -1.729 28.019 29.762 -0.023 0.000 1.282 342 H HN 0.805 nan 8.280 nan 0.000 0.351 343 S N -1.224 114.499 115.700 0.038 0.000 3.587 343 S HA -0.213 4.257 4.470 0.001 0.000 0.337 343 S C 0.695 175.197 174.600 -0.162 0.000 1.119 343 S CA 0.877 58.877 58.200 -0.333 0.000 0.976 343 S CB -1.241 61.721 63.200 -0.396 0.000 0.922 343 S HN 0.489 nan 8.310 nan 0.000 0.503 344 I N 2.885 123.435 120.570 -0.033 0.000 2.352 344 I HA 0.238 4.409 4.170 0.001 0.000 0.290 344 I C -1.834 174.222 176.117 -0.102 0.000 1.036 344 I CA -2.180 59.109 61.300 -0.018 0.000 1.336 344 I CB 0.896 38.951 38.000 0.093 0.000 1.407 344 I HN -0.063 nan 8.210 nan 0.000 0.497 345 P HA 0.175 nan 4.420 nan 0.000 0.282 345 P C -0.888 176.327 177.300 -0.141 0.000 1.262 345 P CA -0.409 62.391 63.100 -0.500 0.000 0.773 345 P CB 0.706 31.832 31.700 -0.957 0.000 0.879 346 K N 4.525 124.888 120.400 -0.063 0.000 2.120 346 K HA 0.153 4.473 4.320 0.001 0.000 0.245 346 K C -1.600 175.020 176.600 0.034 0.000 1.024 346 K CA -1.523 54.773 56.287 0.016 0.000 0.906 346 K CB -0.375 32.134 32.500 0.015 0.000 1.051 346 K HN 0.195 nan 8.250 nan 0.000 0.491 347 P HA -0.174 nan 4.420 nan 0.000 0.216 347 P C 0.963 178.330 177.300 0.112 0.000 1.150 347 P CA 1.505 64.714 63.100 0.181 0.000 0.843 347 P CB 0.093 31.863 31.700 0.116 0.000 0.787 348 T N -1.071 113.521 114.554 0.063 0.000 2.759 348 T HA -0.191 4.160 4.350 0.001 0.000 0.269 348 T C 1.424 176.174 174.700 0.082 0.000 1.042 348 T CA 1.048 63.179 62.100 0.052 0.000 1.140 348 T CB -1.073 67.806 68.868 0.018 0.000 0.864 348 T HN 0.094 nan 8.240 nan 0.000 0.455 349 F N 1.628 121.487 119.950 -0.151 0.000 2.161 349 F HA -0.243 4.284 4.527 0.001 0.000 0.300 349 F C 2.451 178.121 175.800 -0.216 0.000 1.089 349 F CA 1.530 59.407 58.000 -0.205 0.000 1.282 349 F CB -0.171 38.636 39.000 -0.322 0.000 1.010 349 F HN 0.277 nan 8.300 nan 0.000 0.485 350 H N -0.072 119.038 119.070 0.067 0.000 2.395 350 H HA 0.015 4.571 4.556 0.001 0.000 0.299 350 H C 2.469 177.355 175.328 -0.737 0.000 1.070 350 H CA 1.085 56.893 56.048 -0.399 0.000 1.356 350 H CB -1.025 28.448 29.762 -0.482 0.000 1.401 350 H HN 0.409 nan 8.280 nan 0.000 0.524 351 A N 1.060 123.730 122.820 -0.251 0.000 1.927 351 A HA -0.216 4.104 4.320 0.001 0.000 0.220 351 A C 2.195 179.717 177.584 -0.104 0.000 1.185 351 A CA 1.743 53.696 52.037 -0.141 0.000 0.639 351 A CB -1.115 17.809 19.000 -0.126 0.000 0.820 351 A HN 0.237 nan 8.150 nan 0.000 0.451 352 F N -0.077 119.760 119.950 -0.187 0.000 2.206 352 F HA -0.069 4.458 4.527 0.001 0.000 0.298 352 F C 2.756 178.561 175.800 0.008 0.000 1.090 352 F CA 1.748 59.702 58.000 -0.076 0.000 1.323 352 F CB -0.742 38.192 39.000 -0.111 0.000 1.028 352 F HN 0.126 nan 8.300 nan 0.000 0.492 353 T N -0.199 114.377 114.554 0.036 0.000 2.821 353 T HA -0.117 4.234 4.350 0.001 0.000 0.267 353 T C 1.963 176.862 174.700 0.331 0.000 1.046 353 T CA 1.097 63.257 62.100 0.101 0.000 1.139 353 T CB -0.462 68.445 68.868 0.065 0.000 0.871 353 T HN 0.202 nan 8.240 nan 0.000 0.454 354 F N -0.340 119.684 119.950 0.124 0.000 2.206 354 F HA 0.034 4.561 4.527 0.001 0.000 0.298 354 F C 1.915 177.684 175.800 -0.051 0.000 1.090 354 F CA 0.348 58.383 58.000 0.058 0.000 1.323 354 F CB -0.238 38.812 39.000 0.083 0.000 1.028 354 F HN 0.130 nan 8.300 nan 0.000 0.492 355 F N 0.536 120.434 119.950 -0.087 0.000 2.325 355 F HA -0.133 4.395 4.527 0.001 0.000 0.299 355 F C 2.129 177.835 175.800 -0.157 0.000 1.090 355 F CA 1.039 58.773 58.000 -0.443 0.000 1.392 355 F CB -0.858 37.417 39.000 -1.209 0.000 1.053 355 F HN -0.016 nan 8.300 nan 0.000 0.521 356 N N 0.049 118.953 118.700 0.340 0.000 2.453 356 N HA -0.108 4.632 4.740 0.001 0.000 0.183 356 N C 1.754 177.423 175.510 0.265 0.000 1.041 356 N CA 0.677 54.020 53.050 0.489 0.000 0.900 356 N CB 0.042 38.746 38.487 0.362 0.000 0.961 356 N HN 0.240 nan 8.380 nan 0.000 0.443 357 A N 0.582 123.501 122.820 0.166 0.000 2.178 357 A HA 0.180 4.501 4.320 0.001 0.000 0.211 357 A C 0.902 178.515 177.584 0.048 0.000 1.157 357 A CA -0.155 51.937 52.037 0.092 0.000 0.780 357 A CB 0.010 19.040 19.000 0.051 0.000 0.828 357 A HN 0.176 nan 8.150 nan 0.000 0.476 358 L N 0.157 121.400 121.223 0.032 0.000 2.461 358 L HA 0.346 4.686 4.340 0.001 0.000 0.272 358 L C 1.186 178.121 176.870 0.109 0.000 1.197 358 L CA -0.304 54.532 54.840 -0.007 0.000 0.836 358 L CB 0.547 42.530 42.059 -0.126 0.000 1.105 358 L HN 0.317 nan 8.230 nan 0.000 0.477 359 G N 0.584 109.430 108.800 0.077 0.000 2.528 359 G HA2 0.128 4.088 3.960 0.001 0.000 0.289 359 G HA3 0.128 4.088 3.960 0.001 0.000 0.289 359 G C 0.163 175.163 174.900 0.167 0.000 1.192 359 G CA -0.352 44.812 45.100 0.107 0.000 0.921 359 G HN 0.730 nan 8.290 nan 0.000 0.512 360 D N -0.695 119.791 120.400 0.144 0.000 2.104 360 D HA -0.080 4.560 4.640 0.001 0.000 0.194 360 D C 1.096 177.483 176.300 0.145 0.000 0.994 360 D CA 1.034 55.122 54.000 0.148 0.000 0.830 360 D CB 0.214 41.072 40.800 0.096 0.000 0.959 360 D HN 0.477 nan 8.370 nan 0.000 0.452 361 E N 0.189 120.450 120.200 0.102 0.000 2.217 361 E HA 0.141 4.492 4.350 0.001 0.000 0.279 361 E C -0.859 175.789 176.600 0.080 0.000 1.068 361 E CA -0.432 56.017 56.400 0.081 0.000 0.882 361 E CB 0.664 30.397 29.700 0.055 0.000 1.039 361 E HN 0.035 nan 8.360 nan 0.000 0.418 362 L N 6.263 127.540 121.223 0.089 0.000 2.268 362 L HA 0.145 4.486 4.340 0.001 0.000 0.289 362 L C 0.264 177.165 176.870 0.051 0.000 1.064 362 L CA 0.318 55.197 54.840 0.066 0.000 0.824 362 L CB 0.465 42.577 42.059 0.087 0.000 1.202 362 L HN 0.729 nan 8.230 nan 0.000 0.433 363 L N 5.072 126.324 121.223 0.049 0.000 2.162 363 L HA 0.122 4.463 4.340 0.001 0.000 0.205 363 L C -0.293 176.666 176.870 0.147 0.000 1.086 363 L CA 0.468 55.353 54.840 0.074 0.000 0.778 363 L CB -0.096 41.996 42.059 0.057 0.000 0.928 363 L HN 0.637 nan 8.230 nan 0.000 0.446 364 Y N -0.626 119.653 120.300 -0.035 0.000 2.604 364 Y HA 0.509 5.060 4.550 0.000 0.000 0.331 364 Y C -1.148 174.722 175.900 -0.050 0.000 1.158 364 Y CA -1.365 56.711 58.100 -0.039 0.000 1.056 364 Y CB 1.243 39.673 38.460 -0.050 0.000 1.330 364 Y HN -0.151 nan 8.280 nan 0.000 0.457 365 R N 3.946 123.907 120.500 -0.899 0.000 2.515 365 R HA 0.401 4.741 4.340 0.001 0.000 0.278 365 R C -2.073 173.764 176.300 -0.772 0.000 1.107 365 R CA -0.437 55.301 56.100 -0.604 0.000 0.945 365 R CB 1.332 31.481 30.300 -0.252 0.000 1.219 365 R HN 0.893 nan 8.270 nan 0.000 0.434 366 D N 1.727 121.856 120.400 -0.450 0.000 2.727 366 D HA 0.285 4.925 4.640 0.001 0.000 0.264 366 D C 0.947 177.202 176.300 -0.075 0.000 1.101 366 D CA -0.538 53.333 54.000 -0.215 0.000 1.122 366 D CB 0.461 41.205 40.800 -0.094 0.000 1.390 366 D HN 0.420 nan 8.370 nan 0.000 0.606 367 G N -1.425 107.360 108.800 -0.026 0.000 2.708 367 G HA2 -0.111 3.850 3.960 0.001 0.000 0.210 367 G HA3 -0.111 3.850 3.960 0.001 0.000 0.210 367 G C 0.730 175.646 174.900 0.026 0.000 1.141 367 G CA 0.954 46.097 45.100 0.073 0.000 0.788 367 G HN 0.704 nan 8.290 nan 0.000 0.531 368 E N -1.360 118.621 120.200 -0.365 0.000 2.641 368 E HA 0.276 4.626 4.350 0.001 0.000 0.224 368 E C 0.770 176.360 176.600 -1.685 0.000 0.951 368 E CA -0.407 55.351 56.400 -1.071 0.000 1.102 368 E CB 0.053 29.406 29.700 -0.578 0.000 1.091 368 E HN 0.469 nan 8.360 nan 0.000 0.507 369 M N -0.130 118.852 119.600 -1.030 0.000 2.578 369 M HA 0.560 5.040 4.480 0.001 0.000 0.276 369 M C -1.975 174.218 176.300 -0.178 0.000 1.245 369 M CA -1.141 53.736 55.300 -0.706 0.000 0.871 369 M CB 2.648 35.052 32.600 -0.326 0.000 1.722 369 M HN 0.034 nan 8.290 nan 0.000 0.473 370 I N 2.602 123.153 120.570 -0.033 0.000 2.478 370 I HA 0.673 4.843 4.170 0.001 0.000 0.287 370 I C -1.776 174.259 176.117 -0.137 0.000 1.042 370 I CA -0.867 60.380 61.300 -0.089 0.000 1.067 370 I CB 1.932 39.809 38.000 -0.204 0.000 1.233 370 I HN 0.659 nan 8.210 nan 0.000 0.431 371 V N 5.853 125.727 119.914 -0.067 0.000 2.448 371 V HA 0.648 4.768 4.120 0.001 0.000 0.295 371 V C 0.006 176.071 176.094 -0.048 0.000 1.025 371 V CA -0.370 61.901 62.300 -0.049 0.000 0.859 371 V CB 1.745 33.583 31.823 0.026 0.000 0.988 371 V HN 0.823 nan 8.190 nan 0.000 0.431 372 T N 1.927 116.442 114.554 -0.066 0.000 2.906 372 T HA 0.746 5.096 4.350 0.001 0.000 0.295 372 T C -0.753 173.940 174.700 -0.013 0.000 1.075 372 T CA -0.961 61.120 62.100 -0.032 0.000 1.005 372 T CB 2.400 71.241 68.868 -0.044 0.000 1.136 372 T HN 0.604 nan 8.240 nan 0.000 0.498 373 R N 0.475 120.983 120.500 0.013 0.000 2.445 373 R HA 0.668 5.008 4.340 0.001 0.000 0.308 373 R C -0.372 175.946 176.300 0.030 0.000 0.961 373 R CA -0.823 55.286 56.100 0.016 0.000 0.862 373 R CB 1.269 31.581 30.300 0.019 0.000 1.144 373 R HN 0.618 nan 8.270 nan 0.000 0.447 374 R N 1.459 121.974 120.500 0.025 0.000 2.546 374 R HA 0.203 4.543 4.340 0.001 0.000 0.266 374 R C 1.022 177.342 176.300 0.033 0.000 1.086 374 R CA -0.329 55.791 56.100 0.035 0.000 1.160 374 R CB 0.665 30.983 30.300 0.030 0.000 1.138 374 R HN 0.515 nan 8.270 nan 0.000 0.567 375 K N 0.898 121.319 120.400 0.035 0.000 2.113 375 K HA -0.171 4.150 4.320 0.001 0.000 0.208 375 K C 0.810 177.424 176.600 0.024 0.000 1.047 375 K CA 1.879 58.184 56.287 0.030 0.000 0.928 375 K CB -0.059 32.459 32.500 0.030 0.000 0.716 375 K HN 0.664 nan 8.250 nan 0.000 0.446 376 D N -0.793 119.621 120.400 0.023 0.000 2.336 376 D HA -0.005 4.635 4.640 0.001 0.000 0.229 376 D C 1.078 177.389 176.300 0.018 0.000 1.061 376 D CA 0.860 54.872 54.000 0.020 0.000 0.875 376 D CB -0.010 40.803 40.800 0.020 0.000 0.904 376 D HN 0.307 nan 8.370 nan 0.000 0.525 377 G N 0.090 108.901 108.800 0.018 0.000 2.176 377 G HA2 -0.295 3.665 3.960 0.001 0.000 0.253 377 G HA3 -0.295 3.665 3.960 0.001 0.000 0.253 377 G C 0.413 175.321 174.900 0.012 0.000 0.979 377 G CA 0.436 45.545 45.100 0.015 0.000 0.641 377 G HN 0.828 nan 8.290 nan 0.000 0.530 378 S N 0.384 116.093 115.700 0.014 0.000 2.603 378 S HA 0.729 5.199 4.470 0.001 0.000 0.268 378 S C 0.332 174.931 174.600 -0.002 0.000 1.317 378 S CA -0.676 57.531 58.200 0.010 0.000 1.012 378 S CB 1.695 64.906 63.200 0.018 0.000 0.926 378 S HN 0.457 nan 8.310 nan 0.000 0.539 379 I N 1.507 122.067 120.570 -0.016 0.000 2.377 379 I HA 0.572 4.743 4.170 0.001 0.000 0.293 379 I C 0.132 176.217 176.117 -0.054 0.000 0.987 379 I CA -0.591 60.689 61.300 -0.033 0.000 1.185 379 I CB 1.054 39.029 38.000 -0.042 0.000 1.341 379 I HN 0.925 nan 8.210 nan 0.000 0.455 380 A N 5.293 128.074 122.820 -0.065 0.000 2.359 380 A HA 0.885 5.205 4.320 0.001 0.000 0.303 380 A C -0.747 176.755 177.584 -0.137 0.000 1.066 380 A CA -0.493 51.485 52.037 -0.099 0.000 0.730 380 A CB 1.605 20.555 19.000 -0.083 0.000 1.211 380 A HN 0.825 nan 8.150 nan 0.000 0.439 381 A N 1.777 124.500 122.820 -0.161 0.000 2.393 381 A HA 0.746 5.066 4.320 0.001 0.000 0.306 381 A C -1.081 176.390 177.584 -0.189 0.000 1.050 381 A CA -0.479 51.456 52.037 -0.169 0.000 0.724 381 A CB 1.517 20.438 19.000 -0.131 0.000 1.248 381 A HN 1.234 nan 8.150 nan 0.000 0.424 382 V N 2.615 122.417 119.914 -0.186 0.000 2.495 382 V HA 0.595 4.716 4.120 0.001 0.000 0.298 382 V C -0.851 175.306 176.094 0.105 0.000 1.031 382 V CA -0.359 61.905 62.300 -0.061 0.000 0.871 382 V CB 1.202 32.897 31.823 -0.214 0.000 0.988 382 V HN 0.741 nan 8.190 nan 0.000 0.432 383 L N 4.647 125.944 121.223 0.125 0.000 2.381 383 L HA 0.760 5.100 4.340 0.001 0.000 0.268 383 L C -0.804 176.215 176.870 0.248 0.000 0.997 383 L CA -0.143 54.677 54.840 -0.034 0.000 0.818 383 L CB 1.873 43.853 42.059 -0.131 0.000 1.310 383 L HN 0.836 nan 8.230 nan 0.000 0.416 384 W N 0.641 121.971 121.300 0.050 0.000 2.936 384 W HA 0.594 5.255 4.660 0.000 0.000 0.338 384 W C -0.650 175.897 176.519 0.045 0.000 1.121 384 W CA -0.802 56.585 57.345 0.069 0.000 1.209 384 W CB 1.185 30.696 29.460 0.085 0.000 1.420 384 W HN 0.514 nan 8.180 nan 0.000 0.516 385 N N 3.272 122.083 118.700 0.184 0.000 2.904 385 N HA 0.175 4.915 4.740 0.001 0.000 0.257 385 N C -1.280 174.323 175.510 0.156 0.000 1.363 385 N CA -0.591 52.514 53.050 0.093 0.000 0.856 385 N CB 0.465 38.989 38.487 0.060 0.000 1.166 385 N HN 0.594 nan 8.380 nan 0.000 0.499 386 L N 3.246 124.599 121.223 0.216 0.000 2.513 386 L HA 0.184 4.524 4.340 0.001 0.000 0.272 386 L C -1.013 175.926 176.870 0.116 0.000 1.187 386 L CA 0.512 55.464 54.840 0.187 0.000 0.895 386 L CB 0.843 43.018 42.059 0.194 0.000 1.147 386 L HN 0.123 nan 8.230 nan 0.000 0.483 387 V N 7.478 127.456 119.914 0.107 0.000 2.445 387 V HA 0.207 4.327 4.120 0.001 0.000 0.283 387 V C 0.796 176.939 176.094 0.081 0.000 1.014 387 V CA -0.307 62.040 62.300 0.079 0.000 0.852 387 V CB 1.175 33.037 31.823 0.065 0.000 1.021 387 V HN 0.909 nan 8.190 nan 0.000 0.435 388 M N 1.305 120.953 119.600 0.080 0.000 2.506 388 M HA 0.125 4.605 4.480 0.001 0.000 0.260 388 M C 0.864 177.197 176.300 0.055 0.000 1.104 388 M CA 0.764 56.113 55.300 0.082 0.000 1.112 388 M CB 0.119 32.778 32.600 0.097 0.000 1.401 388 M HN 0.695 nan 8.290 nan 0.000 0.473 389 E N 1.968 122.195 120.200 0.045 0.000 2.318 389 E HA 0.320 4.670 4.350 0.001 0.000 0.265 389 E C -0.688 175.930 176.600 0.031 0.000 1.069 389 E CA -0.376 56.043 56.400 0.032 0.000 0.893 389 E CB 1.002 30.717 29.700 0.024 0.000 1.076 389 E HN 0.170 nan 8.360 nan 0.000 0.414 390 K N 0.183 120.596 120.400 0.023 0.000 2.168 390 K HA 0.545 4.866 4.320 0.001 0.000 0.258 390 K C 0.414 177.027 176.600 0.021 0.000 1.010 390 K CA 0.125 56.426 56.287 0.023 0.000 0.929 390 K CB 0.587 33.097 32.500 0.015 0.000 0.998 390 K HN 0.835 nan 8.250 nan 0.000 0.479 391 G N 0.831 109.644 108.800 0.022 0.000 2.381 391 G HA2 -0.077 3.884 3.960 0.001 0.000 0.672 391 G HA3 -0.077 3.884 3.960 0.001 0.000 0.672 391 G C -1.581 173.330 174.900 0.020 0.000 1.324 391 G CA -0.823 44.288 45.100 0.017 0.000 0.975 391 G HN 0.517 nan 8.290 nan 0.000 0.593 392 E N -0.721 119.487 120.200 0.013 0.000 2.239 392 E HA 0.718 5.068 4.350 0.001 0.000 0.261 392 E C 1.256 177.863 176.600 0.012 0.000 1.016 392 E CA 1.532 57.939 56.400 0.012 0.000 0.882 392 E CB 1.133 30.836 29.700 0.005 0.000 1.190 392 E HN 2.316 nan 8.360 nan 0.000 0.415 393 G N 1.375 110.181 108.800 0.010 0.000 2.543 393 G HA2 -0.323 3.637 3.960 0.001 0.000 0.286 393 G HA3 -0.323 3.637 3.960 0.001 0.000 0.286 393 G C -0.170 174.740 174.900 0.016 0.000 1.153 393 G CA -0.077 45.029 45.100 0.010 0.000 0.968 393 G HN 1.266 nan 8.290 nan 0.000 0.544 394 L N -0.172 121.059 121.223 0.013 0.000 3.632 394 L HA -0.146 4.194 4.340 0.001 0.000 0.510 394 L C 1.287 178.167 176.870 0.017 0.000 1.299 394 L CA 0.722 55.572 54.840 0.016 0.000 0.829 394 L CB -2.236 39.836 42.059 0.022 0.000 1.559 394 L HN 1.458 nan 8.230 nan 0.000 0.857 395 T N -2.781 111.779 114.554 0.011 0.000 2.882 395 T HA 0.567 4.918 4.350 0.001 0.000 0.287 395 T C -0.018 174.682 174.700 0.000 0.000 1.014 395 T CA -0.774 61.331 62.100 0.009 0.000 1.049 395 T CB 2.396 71.267 68.868 0.006 0.000 1.001 395 T HN 0.211 nan 8.240 nan 0.000 0.525 396 K N 1.158 121.554 120.400 -0.006 0.000 2.358 396 K HA 0.310 4.630 4.320 0.001 0.000 0.260 396 K C -0.501 176.081 176.600 -0.030 0.000 0.956 396 K CA -0.406 55.868 56.287 -0.023 0.000 0.834 396 K CB 1.178 33.656 32.500 -0.037 0.000 1.102 396 K HN 0.653 nan 8.250 nan 0.000 0.431 397 E N 2.724 122.905 120.200 -0.032 0.000 2.200 397 E HA 0.264 4.614 4.350 0.001 0.000 0.283 397 E C -0.731 175.837 176.600 -0.052 0.000 1.015 397 E CA -0.756 55.620 56.400 -0.039 0.000 0.819 397 E CB 1.759 31.441 29.700 -0.030 0.000 1.081 397 E HN 0.179 nan 8.360 nan 0.000 0.397 398 V N 3.269 123.142 119.914 -0.069 0.000 2.604 398 V HA 0.231 4.351 4.120 0.001 0.000 0.305 398 V C -0.227 175.812 176.094 -0.092 0.000 1.043 398 V CA -0.927 61.323 62.300 -0.084 0.000 0.888 398 V CB 1.918 33.677 31.823 -0.106 0.000 0.995 398 V HN 0.581 nan 8.190 nan 0.000 0.429 399 Q N 3.447 123.201 119.800 -0.075 0.000 2.333 399 Q HA 0.621 4.961 4.340 0.001 0.000 0.267 399 Q C -1.725 174.239 176.000 -0.061 0.000 1.012 399 Q CA -0.818 54.947 55.803 -0.063 0.000 0.824 399 Q CB 2.932 31.710 28.738 0.067 0.000 1.290 399 Q HN 0.453 nan 8.270 nan 0.000 0.449 400 L N 2.373 123.544 121.223 -0.086 0.000 2.349 400 L HA 0.385 4.725 4.340 0.001 0.000 0.278 400 L C -0.793 176.079 176.870 0.004 0.000 0.996 400 L CA -0.558 54.231 54.840 -0.085 0.000 0.825 400 L CB 2.143 44.127 42.059 -0.124 0.000 1.243 400 L HN 0.354 nan 8.230 nan 0.000 0.412 401 V N 5.957 125.870 119.914 -0.001 0.000 2.294 401 V HA 0.455 4.575 4.120 0.001 0.000 0.272 401 V C 0.131 176.200 176.094 -0.042 0.000 1.027 401 V CA -0.328 61.982 62.300 0.017 0.000 0.823 401 V CB 0.853 32.669 31.823 -0.011 0.000 1.030 401 V HN 0.491 nan 8.190 nan 0.000 0.457 402 I N 7.917 128.466 120.570 -0.034 0.000 2.404 402 I HA 0.471 4.641 4.170 0.001 0.000 0.293 402 I C -2.293 173.806 176.117 -0.029 0.000 0.992 402 I CA -2.112 59.161 61.300 -0.045 0.000 1.149 402 I CB 2.654 40.623 38.000 -0.053 0.000 1.315 402 I HN 0.383 nan 8.210 nan 0.000 0.446 403 P HA 0.389 nan 4.420 nan 0.000 0.284 403 P C -1.174 176.118 177.300 -0.014 0.000 1.258 403 P CA -0.362 62.727 63.100 -0.018 0.000 0.824 403 P CB 1.807 33.498 31.700 -0.016 0.000 1.038 404 V N -1.824 118.084 119.914 -0.009 0.000 3.048 404 V HA 0.407 4.527 4.120 0.001 0.000 0.303 404 V C 0.049 176.142 176.094 -0.001 0.000 1.214 404 V CA -0.673 61.624 62.300 -0.005 0.000 0.984 404 V CB 1.619 33.439 31.823 -0.005 0.000 1.054 404 V HN 0.370 nan 8.190 nan 0.000 0.430 405 S N 1.828 117.529 115.700 0.002 0.000 3.266 405 S HA 0.390 4.860 4.470 0.001 0.000 0.209 405 S C 0.387 174.990 174.600 0.005 0.000 1.409 405 S CA -0.125 58.076 58.200 0.003 0.000 1.179 405 S CB -0.168 63.035 63.200 0.004 0.000 1.218 405 S HN 0.925 nan 8.310 nan 0.000 0.514 406 E N 0.560 120.763 120.200 0.006 0.000 3.312 406 E HA 0.159 4.510 4.350 0.001 0.000 0.178 406 E C 1.133 177.738 176.600 0.009 0.000 1.204 406 E CA 0.650 57.056 56.400 0.009 0.000 1.335 406 E CB 0.434 30.142 29.700 0.013 0.000 1.680 406 E HN 0.447 nan 8.360 nan 0.000 0.503 407 S N -1.463 114.242 115.700 0.009 0.000 1.302 407 S HA -0.048 4.422 4.470 0.001 0.000 0.251 407 S C -0.157 174.450 174.600 0.011 0.000 0.713 407 S CA 0.021 58.225 58.200 0.008 0.000 1.038 407 S CB -1.350 61.854 63.200 0.007 0.000 1.095 407 S HN 0.653 nan 8.310 nan 0.000 0.490 408 A N 0.771 123.601 122.820 0.016 0.000 2.449 408 A HA 0.892 5.212 4.320 0.001 0.000 0.302 408 A C -0.804 176.801 177.584 0.036 0.000 1.048 408 A CA -0.158 51.893 52.037 0.023 0.000 0.708 408 A CB 2.327 21.341 19.000 0.023 0.000 1.274 408 A HN 1.281 nan 8.150 nan 0.000 0.410 409 V N 1.732 121.674 119.914 0.045 0.000 2.876 409 V HA 0.711 4.831 4.120 0.001 0.000 0.312 409 V C -1.666 174.496 176.094 0.115 0.000 1.085 409 V CA -0.536 61.800 62.300 0.060 0.000 0.945 409 V CB 2.096 33.928 31.823 0.016 0.000 1.017 409 V HN 0.925 nan 8.190 nan 0.000 0.428 410 F N 6.132 126.063 119.950 -0.032 0.000 2.449 410 F HA 0.684 5.211 4.527 0.000 0.000 0.342 410 F C -0.542 175.229 175.800 -0.047 0.000 1.127 410 F CA -0.841 57.136 58.000 -0.038 0.000 0.975 410 F CB 1.085 40.065 39.000 -0.033 0.000 1.146 410 F HN 0.301 nan 8.300 nan 0.000 0.444 411 I N 6.894 127.012 120.570 -0.752 0.000 2.382 411 I HA 0.303 4.473 4.170 0.001 0.000 0.285 411 I C -0.604 175.051 176.117 -0.771 0.000 1.007 411 I CA -0.757 60.200 61.300 -0.573 0.000 1.142 411 I CB 1.475 39.284 38.000 -0.318 0.000 1.289 411 I HN 0.501 nan 8.210 nan 0.000 0.453 412 K N 7.515 127.543 120.400 -0.620 0.000 2.293 412 K HA 0.469 4.789 4.320 0.001 0.000 0.267 412 K C -0.711 175.707 176.600 -0.303 0.000 1.010 412 K CA -0.663 55.356 56.287 -0.447 0.000 0.875 412 K CB 1.387 33.724 32.500 -0.271 0.000 1.106 412 K HN 0.554 nan 8.250 nan 0.000 0.450 413 R N 3.463 123.793 120.500 -0.284 0.000 2.494 413 R HA 0.239 4.579 4.340 0.001 0.000 0.305 413 R C -1.069 175.074 176.300 -0.261 0.000 0.959 413 R CA -0.443 55.499 56.100 -0.263 0.000 0.864 413 R CB 1.368 31.530 30.300 -0.229 0.000 1.159 413 R HN 0.611 nan 8.270 nan 0.000 0.446 414 Q N 3.893 123.510 119.800 -0.306 0.000 2.353 414 Q HA 0.474 4.815 4.340 0.001 0.000 0.268 414 Q C -1.097 174.798 176.000 -0.176 0.000 1.045 414 Q CA -1.024 54.625 55.803 -0.256 0.000 0.811 414 Q CB 2.708 31.251 28.738 -0.323 0.000 1.305 414 Q HN 0.635 nan 8.270 nan 0.000 0.447 415 I N -0.490 120.114 120.570 0.055 0.000 2.619 415 I HA 0.715 4.885 4.170 0.001 0.000 0.292 415 I C -1.277 175.021 176.117 0.302 0.000 1.100 415 I CA -0.951 60.470 61.300 0.201 0.000 1.043 415 I CB 2.155 40.254 38.000 0.166 0.000 1.239 415 I HN 0.353 nan 8.210 nan 0.000 0.420 416 V N 4.014 124.132 119.914 0.339 0.000 2.577 416 V HA 0.892 5.012 4.120 0.001 0.000 0.303 416 V C -0.969 175.268 176.094 0.238 0.000 1.042 416 V CA -0.030 62.423 62.300 0.255 0.000 0.872 416 V CB 0.982 32.914 31.823 0.181 0.000 0.998 416 V HN 1.240 nan 8.190 nan 0.000 0.423 417 N N 2.460 121.285 118.700 0.209 0.000 3.526 417 N HA 0.352 5.092 4.740 0.001 0.000 0.328 417 N C 0.458 176.041 175.510 0.122 0.000 1.601 417 N CA -0.427 52.719 53.050 0.161 0.000 0.834 417 N CB 0.388 38.965 38.487 0.150 0.000 1.983 417 N HN 0.326 nan 8.380 nan 0.000 0.579 418 E N -0.377 119.875 120.200 0.087 0.000 2.204 418 E HA -0.109 4.241 4.350 0.001 0.000 0.195 418 E C 0.938 177.550 176.600 0.021 0.000 0.990 418 E CA 1.457 57.906 56.400 0.081 0.000 0.821 418 E CB -0.073 29.669 29.700 0.070 0.000 0.750 418 E HN 0.544 nan 8.360 nan 0.000 0.477 419 Q N -1.209 118.546 119.800 -0.076 0.000 2.226 419 Q HA 0.122 4.462 4.340 0.001 0.000 0.199 419 Q C 0.033 175.909 176.000 -0.207 0.000 0.945 419 Q CA 0.641 56.296 55.803 -0.247 0.000 0.861 419 Q CB 0.426 28.846 28.738 -0.529 0.000 0.953 419 Q HN 0.257 nan 8.270 nan 0.000 0.490 420 Y N -1.378 118.951 120.300 0.049 0.000 2.468 420 Y HA 0.479 5.030 4.550 0.001 0.000 0.342 420 Y C 1.009 176.957 175.900 0.080 0.000 1.021 420 Y CA -0.883 57.245 58.100 0.047 0.000 1.079 420 Y CB 2.197 40.685 38.460 0.046 0.000 1.226 420 Y HN 0.187 nan 8.280 nan 0.000 0.460 421 G N 2.273 111.225 108.800 0.253 0.000 2.198 421 G HA2 -0.367 3.593 3.960 0.001 0.000 0.260 421 G HA3 -0.367 3.593 3.960 0.001 0.000 0.260 421 G C -0.390 174.634 174.900 0.206 0.000 1.025 421 G CA 0.504 45.699 45.100 0.160 0.000 0.769 421 G HN 0.761 nan 8.290 nan 0.000 0.507 422 N N -0.699 118.115 118.700 0.190 0.000 2.664 422 N HA 0.606 5.346 4.740 0.001 0.000 0.257 422 N C 1.263 176.866 175.510 0.155 0.000 1.108 422 N CA 0.192 53.342 53.050 0.167 0.000 0.822 422 N CB 0.435 39.020 38.487 0.163 0.000 1.199 422 N HN 0.287 nan 8.380 nan 0.000 0.529 423 A N 2.470 125.378 122.820 0.147 0.000 2.014 423 A HA -0.100 4.221 4.320 0.001 0.000 0.218 423 A C 1.738 179.432 177.584 0.183 0.000 1.163 423 A CA 0.454 52.623 52.037 0.219 0.000 0.652 423 A CB -0.640 18.590 19.000 0.384 0.000 0.808 423 A HN 0.903 nan 8.150 nan 0.000 0.449 424 W N 1.074 122.135 121.300 -0.397 0.000 2.338 424 W HA -0.207 4.454 4.660 0.001 0.000 0.304 424 W C 2.313 178.900 176.519 0.113 0.000 1.212 424 W CA 1.998 59.127 57.345 -0.361 0.000 1.264 424 W CB -0.197 28.961 29.460 -0.504 0.000 1.142 424 W HN 0.324 nan 8.180 nan 0.000 0.512 425 R N -0.209 120.314 120.500 0.038 0.000 2.075 425 R HA -0.145 4.195 4.340 0.001 0.000 0.232 425 R C 1.830 178.090 176.300 -0.066 0.000 1.126 425 R CA 2.082 58.104 56.100 -0.130 0.000 0.963 425 R CB -0.584 29.706 30.300 -0.017 0.000 0.858 425 R HN 0.194 nan 8.270 nan 0.000 0.435 426 V N -0.250 119.703 119.914 0.065 0.000 2.488 426 V HA -0.178 3.942 4.120 0.001 0.000 0.246 426 V C 1.851 178.025 176.094 0.133 0.000 1.046 426 V CA 1.465 63.815 62.300 0.083 0.000 1.053 426 V CB -0.680 31.215 31.823 0.120 0.000 0.679 426 V HN 0.529 nan 8.190 nan 0.000 0.458 427 W N 1.691 123.020 121.300 0.047 0.000 2.321 427 W HA -0.267 4.394 4.660 0.001 0.000 0.306 427 W C 2.354 178.851 176.519 -0.038 0.000 1.217 427 W CA 2.196 59.590 57.345 0.081 0.000 1.257 427 W CB -0.175 29.472 29.460 0.311 0.000 1.145 427 W HN 0.103 nan 8.180 nan 0.000 0.509 428 K N -0.228 120.049 120.400 -0.205 0.000 2.032 428 K HA -0.263 4.058 4.320 0.001 0.000 0.209 428 K C 2.146 178.555 176.600 -0.320 0.000 1.048 428 K CA 2.239 58.260 56.287 -0.443 0.000 0.927 428 K CB -0.565 31.668 32.500 -0.445 0.000 0.712 428 K HN 0.289 nan 8.250 nan 0.000 0.441 429 Q N -0.042 119.641 119.800 -0.196 0.000 2.234 429 Q HA -0.109 4.232 4.340 0.001 0.000 0.206 429 Q C 1.754 177.674 176.000 -0.133 0.000 0.980 429 Q CA 1.223 56.943 55.803 -0.139 0.000 0.869 429 Q CB -0.051 28.638 28.738 -0.082 0.000 0.912 429 Q HN 0.359 nan 8.270 nan 0.000 0.436 430 M N -1.045 118.467 119.600 -0.147 0.000 2.618 430 M HA 0.057 4.538 4.480 0.001 0.000 0.240 430 M C 0.644 176.829 176.300 -0.193 0.000 1.123 430 M CA 0.676 55.899 55.300 -0.129 0.000 1.060 430 M CB 0.507 33.062 32.600 -0.075 0.000 1.535 430 M HN 0.422 nan 8.290 nan 0.000 0.507 431 G N 1.385 110.024 108.800 -0.270 0.000 2.132 431 G HA2 -0.269 3.692 3.960 0.001 0.000 0.228 431 G HA3 -0.269 3.692 3.960 0.001 0.000 0.228 431 G C 0.080 174.729 174.900 -0.418 0.000 1.000 431 G CA -0.137 44.797 45.100 -0.277 0.000 0.693 431 G HN 0.515 nan 8.290 nan 0.000 0.515 432 R N -1.717 118.320 120.500 -0.772 0.000 3.188 432 R HA -0.159 4.181 4.340 0.001 0.000 0.247 432 R C -2.126 173.814 176.300 -0.600 0.000 0.918 432 R CA 0.823 56.123 56.100 -1.333 0.000 0.629 432 R CB -1.626 28.014 30.300 -1.099 0.000 1.087 432 R HN 0.528 nan 8.270 nan 0.000 0.462 433 P HA -0.043 nan 4.420 nan 0.000 0.266 433 P C 0.339 177.703 177.300 0.107 0.000 1.215 433 P CA 0.296 63.362 63.100 -0.056 0.000 0.763 433 P CB 0.552 32.256 31.700 0.007 0.000 0.806 434 R N 2.171 122.583 120.500 -0.147 0.000 2.081 434 R HA -0.053 4.288 4.340 0.001 0.000 0.235 434 R C 0.273 176.202 176.300 -0.619 0.000 1.131 434 R CA 1.431 57.225 56.100 -0.510 0.000 0.960 434 R CB -0.237 29.337 30.300 -1.209 0.000 0.856 434 R HN 0.456 nan 8.270 nan 0.000 0.436 435 F N 1.223 121.243 119.950 0.117 0.000 2.622 435 F HA 0.335 4.863 4.527 0.001 0.000 0.338 435 F C -2.054 173.774 175.800 0.047 0.000 1.334 435 F CA -3.037 55.006 58.000 0.072 0.000 1.179 435 F CB 0.355 39.384 39.000 0.049 0.000 1.471 435 F HN -0.145 nan 8.300 nan 0.000 0.576 436 P HA 0.188 nan 4.420 nan 0.000 0.272 436 P C 0.235 177.541 177.300 0.011 0.000 1.230 436 P CA -0.161 62.977 63.100 0.064 0.000 0.788 436 P CB 1.053 32.780 31.700 0.045 0.000 0.949 437 S N 1.328 117.032 115.700 0.008 0.000 2.596 437 S HA 0.132 4.603 4.470 0.001 0.000 0.260 437 S C 1.374 175.941 174.600 -0.056 0.000 1.336 437 S CA -0.534 57.661 58.200 -0.008 0.000 0.993 437 S CB 0.668 63.871 63.200 0.005 0.000 0.923 437 S HN 0.362 nan 8.310 nan 0.000 0.567 438 R N 0.391 120.865 120.500 -0.043 0.000 2.081 438 R HA -0.117 4.223 4.340 0.001 0.000 0.235 438 R C 2.423 178.701 176.300 -0.038 0.000 1.131 438 R CA 1.595 57.663 56.100 -0.053 0.000 0.960 438 R CB -0.745 29.544 30.300 -0.019 0.000 0.856 438 R HN 0.644 nan 8.270 nan 0.000 0.436 439 Q N 0.571 120.362 119.800 -0.016 0.000 2.096 439 Q HA -0.093 4.247 4.340 0.001 0.000 0.204 439 Q C 2.096 178.096 176.000 0.000 0.000 0.982 439 Q CA 2.107 57.908 55.803 -0.003 0.000 0.850 439 Q CB -0.334 28.407 28.738 0.004 0.000 0.901 439 Q HN 0.405 nan 8.270 nan 0.000 0.422 440 A N -0.634 122.184 122.820 -0.004 0.000 1.898 440 A HA -0.123 4.198 4.320 0.001 0.000 0.216 440 A C 2.288 179.878 177.584 0.010 0.000 1.181 440 A CA 1.390 53.435 52.037 0.014 0.000 0.620 440 A CB -0.800 18.214 19.000 0.024 0.000 0.819 440 A HN 0.229 nan 8.150 nan 0.000 0.442 441 V N 0.443 120.325 119.914 -0.053 0.000 2.332 441 V HA -0.248 3.872 4.120 0.001 0.000 0.248 441 V C 2.621 178.705 176.094 -0.017 0.000 1.055 441 V CA 2.305 64.548 62.300 -0.094 0.000 1.038 441 V CB -0.690 30.964 31.823 -0.282 0.000 0.651 441 V HN 0.513 nan 8.190 nan 0.000 0.450 442 E N -0.234 119.961 120.200 -0.008 0.000 2.110 442 E HA -0.155 4.195 4.350 0.001 0.000 0.193 442 E C 2.339 178.962 176.600 0.039 0.000 0.988 442 E CA 1.657 58.067 56.400 0.018 0.000 0.804 442 E CB -0.697 29.012 29.700 0.015 0.000 0.745 442 E HN 0.571 nan 8.360 nan 0.000 0.458 443 T N 1.695 116.274 114.554 0.042 0.000 2.746 443 T HA -0.065 4.285 4.350 0.001 0.000 0.267 443 T C 2.045 176.798 174.700 0.088 0.000 1.039 443 T CA 0.725 62.860 62.100 0.060 0.000 1.142 443 T CB -0.181 68.719 68.868 0.055 0.000 0.866 443 T HN 0.093 nan 8.240 nan 0.000 0.444 444 L N 0.434 121.719 121.223 0.103 0.000 2.131 444 L HA -0.053 4.287 4.340 0.001 0.000 0.210 444 L C 2.842 179.800 176.870 0.147 0.000 1.092 444 L CA 1.199 56.132 54.840 0.156 0.000 0.759 444 L CB -0.456 41.716 42.059 0.188 0.000 0.903 444 L HN 0.167 nan 8.230 nan 0.000 0.435 445 R N -0.109 120.451 120.500 0.101 0.000 2.075 445 R HA -0.179 4.161 4.340 0.001 0.000 0.232 445 R C 2.320 178.677 176.300 0.093 0.000 1.126 445 R CA 1.376 57.527 56.100 0.085 0.000 0.963 445 R CB -0.088 30.243 30.300 0.052 0.000 0.858 445 R HN 0.392 nan 8.270 nan 0.000 0.435 446 Q N -0.171 119.680 119.800 0.086 0.000 2.030 446 Q HA -0.145 4.195 4.340 0.001 0.000 0.204 446 Q C 2.037 178.098 176.000 0.102 0.000 0.986 446 Q CA 1.777 57.630 55.803 0.083 0.000 0.843 446 Q CB 0.023 28.803 28.738 0.070 0.000 0.904 446 Q HN 0.229 nan 8.270 nan 0.000 0.420 447 V N 0.418 120.401 119.914 0.116 0.000 2.809 447 V HA -0.167 3.954 4.120 0.001 0.000 0.256 447 V C 1.923 178.113 176.094 0.161 0.000 1.080 447 V CA 1.437 63.818 62.300 0.135 0.000 1.102 447 V CB -0.368 31.535 31.823 0.134 0.000 0.705 447 V HN 0.433 nan 8.190 nan 0.000 0.475 448 A N -1.207 121.715 122.820 0.172 0.000 2.119 448 A HA -0.035 4.286 4.320 0.001 0.000 0.217 448 A C 1.229 178.959 177.584 0.244 0.000 1.153 448 A CA 0.494 52.662 52.037 0.218 0.000 0.692 448 A CB -0.222 18.901 19.000 0.205 0.000 0.799 448 A HN 0.526 nan 8.150 nan 0.000 0.458 449 Q N 0.432 120.329 119.800 0.162 0.000 2.332 449 Q HA 0.288 4.629 4.340 0.001 0.000 0.263 449 Q C -2.465 173.549 176.000 0.023 0.000 0.979 449 Q CA -2.355 53.519 55.803 0.117 0.000 0.885 449 Q CB -0.161 28.642 28.738 0.108 0.000 1.218 449 Q HN 0.196 nan 8.270 nan 0.000 0.405 450 P HA -0.062 nan 4.420 nan 0.000 0.268 450 P C -0.385 176.947 177.300 0.054 0.000 1.208 450 P CA 0.205 63.290 63.100 -0.025 0.000 0.777 450 P CB 0.384 32.127 31.700 0.072 0.000 0.875 451 H N 1.447 120.463 119.070 -0.090 0.000 2.610 451 H HA 0.300 4.857 4.556 0.001 0.000 0.336 451 H C -0.896 174.340 175.328 -0.154 0.000 1.087 451 H CA -0.594 55.302 56.048 -0.253 0.000 1.405 451 H CB 0.596 29.991 29.762 -0.612 0.000 1.460 451 H HN 0.055 nan 8.280 nan 0.000 0.538 452 V N 6.923 126.596 119.914 -0.402 0.000 2.495 452 V HA 0.301 4.421 4.120 0.001 0.000 0.298 452 V C -0.150 175.641 176.094 -0.504 0.000 1.031 452 V CA -0.655 61.430 62.300 -0.358 0.000 0.871 452 V CB 1.577 33.306 31.823 -0.156 0.000 0.988 452 V HN 0.778 nan 8.190 nan 0.000 0.432 453 M N 3.896 123.257 119.600 -0.399 0.000 2.395 453 M HA 0.669 5.149 4.480 0.001 0.000 0.307 453 M C -0.312 175.849 176.300 -0.232 0.000 1.091 453 M CA -0.240 54.883 55.300 -0.296 0.000 0.919 453 M CB 2.712 35.149 32.600 -0.272 0.000 1.662 453 M HN 0.854 nan 8.290 nan 0.000 0.440 454 T N -0.609 113.840 114.554 -0.176 0.000 2.906 454 T HA 0.910 5.260 4.350 0.001 0.000 0.295 454 T C -1.099 173.505 174.700 -0.161 0.000 1.075 454 T CA -0.908 61.059 62.100 -0.222 0.000 1.005 454 T CB 2.139 70.961 68.868 -0.077 0.000 1.136 454 T HN 0.787 nan 8.240 nan 0.000 0.498 455 E N 0.443 120.504 120.200 -0.232 0.000 2.407 455 E HA 0.442 4.792 4.350 0.001 0.000 0.279 455 E C -1.369 175.201 176.600 -0.049 0.000 1.012 455 E CA -1.130 55.212 56.400 -0.097 0.000 0.800 455 E CB 1.670 31.310 29.700 -0.099 0.000 1.276 455 E HN 0.700 nan 8.360 nan 0.000 0.452 456 Q N 1.320 121.149 119.800 0.049 0.000 2.245 456 Q HA 0.471 4.811 4.340 0.001 0.000 0.256 456 Q C -1.122 174.889 176.000 0.017 0.000 0.942 456 Q CA -0.852 54.999 55.803 0.080 0.000 0.896 456 Q CB 1.552 30.350 28.738 0.099 0.000 1.272 456 Q HN 0.541 nan 8.270 nan 0.000 0.442 457 R N 2.537 123.044 120.500 0.012 0.000 2.522 457 R HA 0.359 4.699 4.340 0.001 0.000 0.283 457 R C -1.418 174.885 176.300 0.005 0.000 1.074 457 R CA -0.551 55.547 56.100 -0.003 0.000 0.925 457 R CB 1.512 31.796 30.300 -0.028 0.000 1.205 457 R HN 0.615 nan 8.270 nan 0.000 0.436 458 R N 2.285 122.789 120.500 0.005 0.000 2.410 458 R HA 0.478 4.818 4.340 0.001 0.000 0.288 458 R C -0.331 175.972 176.300 0.004 0.000 1.051 458 R CA -0.122 55.982 56.100 0.007 0.000 1.021 458 R CB 1.501 31.805 30.300 0.007 0.000 1.032 458 R HN 0.726 nan 8.270 nan 0.000 0.481 459 A N 1.724 124.546 122.820 0.004 0.000 2.327 459 A HA 0.345 4.666 4.320 0.001 0.000 0.255 459 A C -0.298 177.287 177.584 0.002 0.000 1.099 459 A CA -0.138 51.900 52.037 0.002 0.000 0.801 459 A CB 0.533 19.533 19.000 0.001 0.000 1.062 459 A HN 0.760 nan 8.150 nan 0.000 0.496 460 T N -3.126 111.428 114.554 -0.000 0.000 2.916 460 T HA 0.575 4.926 4.350 0.001 0.000 0.298 460 T C -0.019 174.675 174.700 -0.009 0.000 1.031 460 T CA 0.717 62.815 62.100 -0.004 0.000 0.993 460 T CB 1.047 69.912 68.868 -0.005 0.000 1.045 460 T HN 2.155 nan 8.240 nan 0.000 0.454 461 D N 0.111 120.505 120.400 -0.010 0.000 2.983 461 D HA 0.062 4.702 4.640 0.001 0.000 0.225 461 D C 1.595 177.888 176.300 -0.012 0.000 1.174 461 D CA 1.713 55.706 54.000 -0.013 0.000 0.831 461 D CB -2.018 38.771 40.800 -0.019 0.000 1.104 461 D HN 2.642 nan 8.370 nan 0.000 0.421 462 G N -3.125 105.670 108.800 -0.008 0.000 2.130 462 G HA2 0.274 4.234 3.960 0.001 0.000 0.216 462 G HA3 0.274 4.234 3.960 0.001 0.000 0.216 462 G C 0.373 175.268 174.900 -0.009 0.000 0.999 462 G CA 0.714 45.810 45.100 -0.007 0.000 0.686 462 G HN 1.882 nan 8.290 nan 0.000 0.515 463 V N -0.488 119.421 119.914 -0.008 0.000 3.178 463 V HA 0.770 4.891 4.120 0.001 0.000 0.302 463 V C -1.018 175.077 176.094 0.002 0.000 1.262 463 V CA -0.861 61.435 62.300 -0.008 0.000 1.030 463 V CB 2.359 34.173 31.823 -0.015 0.000 1.074 463 V HN 0.340 nan 8.190 nan 0.000 0.438 464 I N 2.364 122.937 120.570 0.006 0.000 2.466 464 I HA 0.447 4.618 4.170 0.001 0.000 0.289 464 I C -1.045 175.102 176.117 0.051 0.000 1.026 464 I CA -0.427 60.882 61.300 0.013 0.000 1.078 464 I CB 1.689 39.679 38.000 -0.016 0.000 1.249 464 I HN 0.736 nan 8.210 nan 0.000 0.429 465 H N 7.409 126.448 119.070 -0.052 0.000 2.724 465 H HA 0.472 5.028 4.556 0.001 0.000 0.278 465 H C -1.245 174.046 175.328 -0.061 0.000 1.159 465 H CA -0.297 55.716 56.048 -0.058 0.000 1.254 465 H CB 0.466 30.198 29.762 -0.049 0.000 1.412 465 H HN 0.418 nan 8.280 nan 0.000 0.488 466 L N 4.084 125.134 121.223 -0.289 0.000 2.278 466 L HA 0.202 4.543 4.340 0.001 0.000 0.287 466 L C 0.337 176.954 176.870 -0.422 0.000 1.072 466 L CA -0.417 54.241 54.840 -0.304 0.000 0.819 466 L CB 1.000 42.946 42.059 -0.189 0.000 1.176 466 L HN 0.505 nan 8.230 nan 0.000 0.435 467 S N 5.011 120.484 115.700 -0.377 0.000 2.438 467 S HA 0.644 5.115 4.470 0.001 0.000 0.293 467 S C -0.481 174.021 174.600 -0.163 0.000 1.141 467 S CA -0.458 57.582 58.200 -0.268 0.000 1.080 467 S CB 0.229 63.298 63.200 -0.220 0.000 0.978 467 S HN 0.407 nan 8.310 nan 0.000 0.479 468 I N 4.879 125.371 120.570 -0.130 0.000 2.499 468 I HA 0.400 4.570 4.170 0.001 0.000 0.288 468 I C -0.981 175.096 176.117 -0.067 0.000 1.048 468 I CA -0.834 60.407 61.300 -0.097 0.000 1.062 468 I CB 2.260 40.197 38.000 -0.106 0.000 1.238 468 I HN 0.275 nan 8.210 nan 0.000 0.426 469 V N 7.232 127.121 119.914 -0.042 0.000 2.384 469 V HA 0.461 4.581 4.120 0.001 0.000 0.287 469 V C -0.227 175.867 176.094 -0.000 0.000 1.020 469 V CA -0.525 61.763 62.300 -0.020 0.000 0.850 469 V CB 1.517 33.335 31.823 -0.007 0.000 0.987 469 V HN 0.435 nan 8.190 nan 0.000 0.436 470 L N 4.763 125.987 121.223 0.002 0.000 2.307 470 L HA 0.600 4.940 4.340 0.001 0.000 0.284 470 L C 0.692 177.584 176.870 0.037 0.000 1.023 470 L CA 0.027 54.883 54.840 0.027 0.000 0.810 470 L CB 2.056 44.126 42.059 0.018 0.000 1.231 470 L HN 0.811 nan 8.230 nan 0.000 0.423 471 S N 1.874 117.608 115.700 0.058 0.000 2.686 471 S HA 0.319 4.789 4.470 0.001 0.000 0.270 471 S C -0.032 174.605 174.600 0.062 0.000 1.194 471 S CA -0.837 57.394 58.200 0.051 0.000 0.990 471 S CB 0.739 63.969 63.200 0.049 0.000 1.029 471 S HN 0.574 nan 8.310 nan 0.000 0.560 472 K N 1.011 121.443 120.400 0.054 0.000 2.437 472 K HA -0.066 4.255 4.320 0.001 0.000 0.277 472 K C -0.221 176.430 176.600 0.087 0.000 1.073 472 K CA 0.533 56.858 56.287 0.063 0.000 1.105 472 K CB -0.615 31.917 32.500 0.053 0.000 0.881 472 K HN 0.648 nan 8.250 nan 0.000 0.475 473 N N 1.935 120.698 118.700 0.104 0.000 2.782 473 N HA -0.210 4.530 4.740 0.001 0.000 0.251 473 N C -0.818 174.785 175.510 0.155 0.000 1.101 473 N CA 1.129 54.258 53.050 0.132 0.000 0.764 473 N CB -0.914 37.643 38.487 0.116 0.000 1.122 473 N HN 0.824 nan 8.380 nan 0.000 0.561 474 E N 0.667 120.960 120.200 0.155 0.000 2.344 474 E HA 0.284 4.634 4.350 0.001 0.000 0.270 474 E C -0.358 176.388 176.600 0.244 0.000 1.021 474 E CA -0.237 56.273 56.400 0.184 0.000 0.887 474 E CB 0.767 30.558 29.700 0.152 0.000 0.997 474 E HN 0.045 nan 8.360 nan 0.000 0.429 475 V N 3.711 123.798 119.914 0.289 0.000 2.581 475 V HA 0.480 4.601 4.120 0.001 0.000 0.303 475 V C 0.062 176.419 176.094 0.437 0.000 1.041 475 V CA -0.628 61.903 62.300 0.385 0.000 0.907 475 V CB 1.789 33.840 31.823 0.379 0.000 0.994 475 V HN 0.764 nan 8.190 nan 0.000 0.442 476 T N 4.575 119.337 114.554 0.347 0.000 2.993 476 T HA 0.477 4.827 4.350 0.001 0.000 0.312 476 T C -1.535 173.067 174.700 -0.163 0.000 1.115 476 T CA -0.390 61.766 62.100 0.094 0.000 1.027 476 T CB 1.319 70.208 68.868 0.035 0.000 1.116 476 T HN 0.579 nan 8.240 nan 0.000 0.464 477 L N 6.197 127.036 121.223 -0.641 0.000 2.282 477 L HA 0.652 4.992 4.340 0.001 0.000 0.288 477 L C -0.952 175.689 176.870 -0.382 0.000 1.033 477 L CA -0.809 53.668 54.840 -0.605 0.000 0.807 477 L CB 0.864 42.314 42.059 -1.015 0.000 1.209 477 L HN 0.685 nan 8.230 nan 0.000 0.423 478 I N 4.594 125.005 120.570 -0.265 0.000 2.418 478 I HA 0.307 4.477 4.170 0.001 0.000 0.287 478 I C -0.501 175.503 176.117 -0.188 0.000 1.008 478 I CA -0.551 60.617 61.300 -0.220 0.000 1.104 478 I CB 1.921 39.811 38.000 -0.183 0.000 1.264 478 I HN 0.540 nan 8.210 nan 0.000 0.438 479 E N 7.062 127.153 120.200 -0.183 0.000 2.145 479 E HA 0.554 4.904 4.350 0.001 0.000 0.270 479 E C -0.989 175.531 176.600 -0.134 0.000 0.906 479 E CA -0.597 55.725 56.400 -0.130 0.000 0.761 479 E CB 2.571 32.214 29.700 -0.094 0.000 1.116 479 E HN 0.455 nan 8.360 nan 0.000 0.408 480 I N 2.912 123.427 120.570 -0.091 0.000 2.355 480 I HA 0.248 4.418 4.170 0.001 0.000 0.288 480 I C -0.051 176.059 176.117 -0.012 0.000 0.999 480 I CA -0.236 61.020 61.300 -0.072 0.000 1.163 480 I CB 1.225 39.181 38.000 -0.072 0.000 1.316 480 I HN 0.431 nan 8.210 nan 0.000 0.454 481 E N 3.817 124.041 120.200 0.040 0.000 2.339 481 E HA 0.352 4.702 4.350 0.001 0.000 0.262 481 E C -0.959 175.692 176.600 0.085 0.000 0.934 481 E CA -0.974 55.473 56.400 0.078 0.000 0.802 481 E CB 1.677 31.459 29.700 0.136 0.000 1.275 481 E HN 0.465 nan 8.360 nan 0.000 0.427 482 Q N 1.173 121.009 119.800 0.060 0.000 2.297 482 Q HA 0.182 4.522 4.340 0.001 0.000 0.267 482 Q C -1.188 174.842 176.000 0.049 0.000 1.006 482 Q CA -0.229 55.601 55.803 0.045 0.000 0.896 482 Q CB 0.651 29.406 28.738 0.027 0.000 1.186 482 Q HN 0.230 nan 8.270 nan 0.000 0.392 483 V N 5.857 125.800 119.914 0.048 0.000 2.406 483 V HA 0.269 4.389 4.120 0.001 0.000 0.272 483 V C -0.040 176.060 176.094 0.010 0.000 1.043 483 V CA -0.356 61.959 62.300 0.025 0.000 0.915 483 V CB 1.152 32.998 31.823 0.039 0.000 0.988 483 V HN 0.743 nan 8.190 nan 0.000 0.466 484 R N 2.957 123.456 120.500 -0.003 0.000 2.755 484 R HA 0.236 4.577 4.340 0.001 0.000 0.268 484 R C -0.221 176.081 176.300 0.003 0.000 1.295 484 R CA -0.438 55.663 56.100 0.001 0.000 1.379 484 R CB 0.029 30.329 30.300 -0.000 0.000 1.170 484 R HN 0.647 nan 8.270 nan 0.000 0.584 485 D N 1.923 122.328 120.400 0.008 0.000 2.472 485 D HA -0.079 4.561 4.640 0.001 0.000 0.248 485 D C 0.160 176.484 176.300 0.039 0.000 1.174 485 D CA 0.716 54.724 54.000 0.014 0.000 0.883 485 D CB 0.802 41.608 40.800 0.011 0.000 1.149 485 D HN 0.494 nan 8.370 nan 0.000 0.488 486 E N 1.479 121.725 120.200 0.076 0.000 2.501 486 E HA 0.021 4.371 4.350 0.001 0.000 0.201 486 E C 1.334 178.092 176.600 0.263 0.000 1.016 486 E CA -0.048 56.435 56.400 0.138 0.000 0.920 486 E CB 0.462 30.257 29.700 0.158 0.000 1.023 486 E HN 0.400 nan 8.360 nan 0.000 0.474 487 T N 0.868 115.523 114.554 0.168 0.000 2.759 487 T HA -0.211 4.139 4.350 0.001 0.000 0.269 487 T C 2.164 176.991 174.700 0.213 0.000 1.042 487 T CA 1.814 64.002 62.100 0.147 0.000 1.140 487 T CB -0.223 68.640 68.868 -0.008 0.000 0.864 487 T HN 0.308 nan 8.240 nan 0.000 0.455 488 S N 1.704 117.479 115.700 0.125 0.000 2.419 488 S HA -0.156 4.314 4.470 0.001 0.000 0.233 488 S C 2.211 176.860 174.600 0.083 0.000 1.016 488 S CA 1.629 59.880 58.200 0.085 0.000 0.974 488 S CB -1.084 62.144 63.200 0.046 0.000 0.786 488 S HN 0.724 nan 8.310 nan 0.000 0.492 489 T N -2.091 112.512 114.554 0.081 0.000 3.035 489 T HA 0.008 4.358 4.350 0.001 0.000 0.268 489 T C 0.405 175.056 174.700 -0.081 0.000 1.109 489 T CA 0.227 62.308 62.100 -0.032 0.000 1.119 489 T CB -0.848 67.945 68.868 -0.126 0.000 0.900 489 T HN 0.475 nan 8.240 nan 0.000 0.503 490 Y N 2.658 122.949 120.300 -0.015 0.000 2.735 490 Y HA 0.457 5.007 4.550 0.000 0.000 0.354 490 Y C 0.268 176.160 175.900 -0.012 0.000 1.288 490 Y CA -1.214 56.877 58.100 -0.016 0.000 1.836 490 Y CB -0.670 37.778 38.460 -0.020 0.000 1.920 490 Y HN -0.016 nan 8.280 nan 0.000 0.438 491 V N 1.457 121.417 119.914 0.077 0.000 2.529 491 V HA 0.256 4.377 4.120 0.001 0.000 0.292 491 V C 1.232 177.357 176.094 0.052 0.000 1.028 491 V CA 0.929 63.260 62.300 0.053 0.000 1.074 491 V CB 0.376 32.211 31.823 0.020 0.000 0.958 491 V HN 0.960 nan 8.190 nan 0.000 0.481 492 G N 3.832 112.660 108.800 0.047 0.000 2.175 492 G HA2 -0.237 3.724 3.960 0.001 0.000 0.244 492 G HA3 -0.237 3.724 3.960 0.001 0.000 0.244 492 G C 0.113 175.037 174.900 0.040 0.000 0.982 492 G CA 0.157 45.279 45.100 0.036 0.000 0.641 492 G HN 0.854 nan 8.290 nan 0.000 0.527 493 L N 1.064 122.322 121.223 0.057 0.000 2.499 493 L HA 0.552 4.892 4.340 0.001 0.000 0.273 493 L C -0.564 176.312 176.870 0.009 0.000 1.195 493 L CA 0.326 55.189 54.840 0.039 0.000 0.882 493 L CB 0.753 42.836 42.059 0.040 0.000 1.133 493 L HN 0.139 nan 8.230 nan 0.000 0.483 494 D N 3.149 123.549 120.400 0.000 0.000 2.365 494 D HA 0.136 4.777 4.640 0.001 0.000 0.235 494 D C 0.159 176.456 176.300 -0.004 0.000 1.368 494 D CA -0.420 53.579 54.000 -0.001 0.000 1.001 494 D CB 1.156 41.962 40.800 0.011 0.000 1.364 494 D HN 0.564 nan 8.370 nan 0.000 0.577 495 D N 2.061 122.449 120.400 -0.020 0.000 2.265 495 D HA -0.088 4.552 4.640 0.001 0.000 0.208 495 D C 1.974 178.305 176.300 0.051 0.000 0.977 495 D CA 1.108 55.097 54.000 -0.018 0.000 0.871 495 D CB 0.073 40.844 40.800 -0.048 0.000 0.925 495 D HN 0.635 nan 8.370 nan 0.000 0.485 496 G N 0.631 109.460 108.800 0.048 0.000 2.535 496 G HA2 -0.208 3.752 3.960 0.001 0.000 0.218 496 G HA3 -0.208 3.752 3.960 0.001 0.000 0.218 496 G C 1.393 176.326 174.900 0.055 0.000 1.122 496 G CA 0.285 45.421 45.100 0.060 0.000 0.769 496 G HN 0.202 nan 8.290 nan 0.000 0.549 497 E N -0.053 120.174 120.200 0.045 0.000 2.371 497 E HA 0.084 4.434 4.350 0.001 0.000 0.194 497 E C 0.800 177.434 176.600 0.057 0.000 1.012 497 E CA -0.090 56.334 56.400 0.041 0.000 0.860 497 E CB 0.377 30.094 29.700 0.028 0.000 0.811 497 E HN 0.437 nan 8.360 nan 0.000 0.502 498 I N 2.208 122.828 120.570 0.083 0.000 2.496 498 I HA -0.014 4.156 4.170 0.001 0.000 0.285 498 I C 0.459 176.689 176.117 0.189 0.000 1.080 498 I CA -0.143 61.233 61.300 0.128 0.000 1.404 498 I CB 0.694 38.769 38.000 0.124 0.000 1.403 498 I HN -0.254 nan 8.210 nan 0.000 0.539 499 T N 5.078 119.715 114.554 0.139 0.000 2.709 499 T HA -0.052 4.298 4.350 0.001 0.000 0.269 499 T C 0.966 175.679 174.700 0.022 0.000 1.008 499 T CA 1.121 63.267 62.100 0.078 0.000 1.194 499 T CB -0.008 68.893 68.868 0.056 0.000 0.986 499 T HN 1.051 nan 8.240 nan 0.000 0.508 500 S N 1.413 117.060 115.700 -0.089 0.000 2.488 500 S HA -0.191 4.279 4.470 0.001 0.000 0.258 500 S C -0.015 174.339 174.600 -0.410 0.000 1.281 500 S CA 0.706 58.735 58.200 -0.285 0.000 1.334 500 S CB -2.256 60.693 63.200 -0.418 0.000 1.647 500 S HN 0.708 nan 8.310 nan 0.000 0.635 501 Y N 2.185 122.483 120.300 -0.004 0.000 2.568 501 Y HA 0.806 5.356 4.550 0.001 0.000 0.327 501 Y C 1.042 176.938 175.900 -0.007 0.000 1.163 501 Y CA -0.028 58.068 58.100 -0.006 0.000 1.219 501 Y CB 1.924 40.379 38.460 -0.009 0.000 1.308 501 Y HN 0.476 nan 8.280 nan 0.000 0.503 502 S N 0.000 115.803 115.700 0.172 0.000 2.498 502 S HA 0.000 4.470 4.470 0.001 0.000 0.327 502 S CA 0.000 58.252 58.200 0.087 0.000 1.107 502 S CB 0.000 63.230 63.200 0.050 0.000 0.593 502 S HN 0.000 nan 8.310 nan 0.000 0.517