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 1og5_1_A DATA FIRST_RESID 30 DATA SEQUENCE PPGPTPLPVI GNILQIGIKD ISKSLTNLSK VYGPVFTLYF GLKPIVVLHG DATA SEQUENCE YEAVKEALID LGEEFSGRGI FPLAERANRG FGIVFSNGKK WKEIRRFSLM DATA SEQUENCE TLRNFGMGKR SIEDRVQEEA RCLVEELRKT KASPCDPTFI LGCAPCNVIC DATA SEQUENCE SIIFHKRFDY KDQQFLNLME KLNENIEILS SPWIQVYNNF PALLDYFPGT DATA SEQUENCE HNKLLKNVAF MKSYILEKVK EHQESMDMNN PQDFIDCFLM KMEKEKHNQP DATA SEQUENCE SEFTIESLEN TAVDLFGAGT ETTSTTLRYA LLLLLKHPEV TAKVQEEIER DATA SEQUENCE VIGRNRSPCM QDRSHMPYTD AVVHEVQRYI DLLPTSLPHA VTCDIKFRNY DATA SEQUENCE LIPKGTTILI SLTSVLHDNK EFPNPEMFDP HHFLDEGGNF KKSKYFMPFS DATA SEQUENCE AGKRICVGEA LAGMELFLFL TSILQNFNLK SLVDPKNLDT TPVVNGFASV DATA SEQUENCE PPFYQLCFIP V 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 30 P HA 0.000 nan 4.420 nan 0.000 0.216 30 P C 0.000 177.176 177.300 -0.206 0.000 1.155 30 P CA 0.000 62.858 63.100 -0.403 0.000 0.800 30 P CB 0.000 31.591 31.700 -0.182 0.000 0.726 31 P HA 0.471 nan 4.420 nan 0.000 0.270 31 P C 0.054 177.279 177.300 -0.126 0.000 1.223 31 P CA 0.627 63.707 63.100 -0.033 0.000 0.785 31 P CB 1.321 33.089 31.700 0.113 0.000 0.923 32 G N 0.588 109.170 108.800 -0.363 0.000 2.338 32 G HA2 0.353 4.313 3.960 0.001 0.000 0.295 32 G HA3 0.353 4.313 3.960 0.001 0.000 0.295 32 G C -3.354 171.042 174.900 -0.840 0.000 1.461 32 G CA -0.915 43.663 45.100 -0.871 0.000 0.817 32 G HN 0.449 nan 8.290 nan 0.000 0.556 33 P HA 0.224 nan 4.420 nan 0.000 0.268 33 P C 0.609 177.862 177.300 -0.077 0.000 1.204 33 P CA 0.316 63.277 63.100 -0.231 0.000 0.768 33 P CB 0.552 32.198 31.700 -0.090 0.000 0.842 34 T N 2.037 116.578 114.554 -0.021 0.000 2.799 34 T HA 0.259 4.609 4.350 0.001 0.000 0.296 34 T C -1.770 172.899 174.700 -0.052 0.000 0.947 34 T CA -1.436 60.647 62.100 -0.029 0.000 1.141 34 T CB -0.373 68.485 68.868 -0.016 0.000 0.891 34 T HN 0.321 nan 8.240 nan 0.000 0.533 35 P HA 0.256 nan 4.420 nan 0.000 0.274 35 P C 0.032 177.260 177.300 -0.119 0.000 1.231 35 P CA -0.677 62.337 63.100 -0.143 0.000 0.790 35 P CB 0.919 32.394 31.700 -0.375 0.000 0.951 36 L N 3.294 124.478 121.223 -0.065 0.000 2.466 36 L HA 0.134 4.475 4.340 0.001 0.000 0.257 36 L C -0.741 176.102 176.870 -0.044 0.000 1.189 36 L CA -1.746 53.071 54.840 -0.038 0.000 0.813 36 L CB -0.084 41.972 42.059 -0.005 0.000 1.118 36 L HN 0.282 nan 8.230 nan 0.000 0.471 37 P HA -0.241 nan 4.420 nan 0.000 0.218 37 P C 1.119 178.421 177.300 0.003 0.000 1.165 37 P CA 1.308 64.394 63.100 -0.022 0.000 0.922 37 P CB 0.270 31.963 31.700 -0.011 0.000 0.794 38 V N -1.639 118.303 119.914 0.046 0.000 3.473 38 V HA 0.129 4.249 4.120 0.001 0.000 0.253 38 V C 1.826 178.066 176.094 0.244 0.000 1.340 38 V CA 0.026 62.394 62.300 0.113 0.000 1.103 38 V CB -0.326 31.548 31.823 0.085 0.000 0.881 38 V HN 0.019 nan 8.190 nan 0.000 0.451 39 I N -1.101 119.608 120.570 0.232 0.000 3.111 39 I HA 0.472 4.643 4.170 0.001 0.000 0.272 39 I C 1.455 177.653 176.117 0.136 0.000 1.268 39 I CA 0.992 62.496 61.300 0.340 0.000 1.467 39 I CB -0.868 37.300 38.000 0.280 0.000 1.087 39 I HN 0.345 nan 8.210 nan 0.000 0.467 40 G N 2.942 111.786 108.800 0.073 0.000 2.583 40 G HA2 -0.352 3.608 3.960 0.001 0.000 0.292 40 G HA3 -0.352 3.608 3.960 0.001 0.000 0.292 40 G C 0.336 175.232 174.900 -0.006 0.000 1.203 40 G CA 0.543 45.658 45.100 0.026 0.000 0.987 40 G HN 0.487 nan 8.290 nan 0.000 0.554 41 N N 0.768 119.445 118.700 -0.038 0.000 2.251 41 N HA 0.200 4.940 4.740 0.001 0.000 0.217 41 N C 1.925 177.358 175.510 -0.130 0.000 1.124 41 N CA 0.356 53.362 53.050 -0.073 0.000 0.843 41 N CB 0.472 38.917 38.487 -0.070 0.000 1.024 41 N HN 0.512 nan 8.380 nan 0.000 0.501 42 I N 0.427 120.923 120.570 -0.122 0.000 2.315 42 I HA -0.264 3.907 4.170 0.001 0.000 0.251 42 I C 1.391 177.473 176.117 -0.058 0.000 1.125 42 I CA 0.967 62.198 61.300 -0.115 0.000 1.392 42 I CB 0.313 38.279 38.000 -0.056 0.000 1.065 42 I HN 0.023 nan 8.210 nan 0.000 0.424 43 L N 0.454 121.661 121.223 -0.027 0.000 2.362 43 L HA -0.177 4.163 4.340 0.001 0.000 0.219 43 L C 2.392 179.251 176.870 -0.019 0.000 1.134 43 L CA 1.561 56.393 54.840 -0.012 0.000 0.807 43 L CB -0.843 41.217 42.059 0.001 0.000 0.927 43 L HN 0.489 nan 8.230 nan 0.000 0.447 44 Q N -1.200 118.580 119.800 -0.033 0.000 2.423 44 Q HA 0.081 4.422 4.340 0.001 0.000 0.231 44 Q C 2.018 177.999 176.000 -0.032 0.000 0.894 44 Q CA 0.826 56.615 55.803 -0.024 0.000 0.938 44 Q CB -0.032 28.701 28.738 -0.008 0.000 1.079 44 Q HN 0.578 nan 8.270 nan 0.000 0.552 45 I N -1.985 118.546 120.570 -0.066 0.000 2.628 45 I HA 0.382 4.553 4.170 0.001 0.000 0.255 45 I C 1.223 177.301 176.117 -0.065 0.000 1.119 45 I CA 0.822 62.083 61.300 -0.064 0.000 1.448 45 I CB -0.064 37.870 38.000 -0.110 0.000 1.133 45 I HN 0.231 nan 8.210 nan 0.000 0.438 46 G N 2.179 110.932 108.800 -0.079 0.000 2.484 46 G HA2 -0.287 3.673 3.960 0.001 0.000 0.225 46 G HA3 -0.287 3.673 3.960 0.001 0.000 0.225 46 G C 0.089 174.946 174.900 -0.073 0.000 1.250 46 G CA 0.163 45.226 45.100 -0.061 0.000 0.926 46 G HN 0.689 nan 8.290 nan 0.000 0.581 47 I N -0.378 120.150 120.570 -0.069 0.000 4.845 47 I HA 0.245 4.416 4.170 0.001 0.000 0.376 47 I C 1.460 177.518 176.117 -0.098 0.000 1.188 47 I CA 0.982 62.235 61.300 -0.079 0.000 1.390 47 I CB -0.172 37.810 38.000 -0.030 0.000 1.939 47 I HN 0.737 nan 8.210 nan 0.000 0.641 48 K N 0.405 120.757 120.400 -0.080 0.000 2.780 48 K HA 0.102 4.422 4.320 0.001 0.000 0.169 48 K C 0.172 176.711 176.600 -0.101 0.000 1.121 48 K CA 0.154 56.399 56.287 -0.069 0.000 1.272 48 K CB -0.586 31.892 32.500 -0.038 0.000 1.772 48 K HN -0.047 nan 8.250 nan 0.000 0.475 49 D N 1.045 121.402 120.400 -0.072 0.000 2.522 49 D HA 0.069 4.709 4.640 0.001 0.000 0.218 49 D C 0.376 176.632 176.300 -0.074 0.000 1.149 49 D CA -0.370 53.589 54.000 -0.069 0.000 0.981 49 D CB 0.068 40.853 40.800 -0.026 0.000 1.041 49 D HN 0.532 nan 8.370 nan 0.000 0.518 50 I N 0.917 121.399 120.570 -0.147 0.000 3.334 50 I HA -0.086 4.084 4.170 0.001 0.000 0.282 50 I C 1.382 177.504 176.117 0.007 0.000 1.313 50 I CA 0.652 61.886 61.300 -0.109 0.000 1.396 50 I CB 0.194 38.054 38.000 -0.234 0.000 1.054 50 I HN 0.150 nan 8.210 nan 0.000 0.495 51 S N 0.916 116.624 115.700 0.013 0.000 2.439 51 S HA -0.096 4.375 4.470 0.001 0.000 0.224 51 S C 2.041 176.692 174.600 0.085 0.000 1.029 51 S CA 0.936 59.188 58.200 0.087 0.000 0.946 51 S CB -0.117 63.123 63.200 0.067 0.000 0.797 51 S HN 0.566 nan 8.310 nan 0.000 0.504 52 K N 0.990 121.419 120.400 0.048 0.000 2.097 52 K HA 0.056 4.377 4.320 0.001 0.000 0.205 52 K C 2.095 178.723 176.600 0.046 0.000 1.050 52 K CA 1.619 57.934 56.287 0.048 0.000 0.938 52 K CB -0.294 32.224 32.500 0.029 0.000 0.718 52 K HN 0.327 nan 8.250 nan 0.000 0.442 53 S N 0.942 116.667 115.700 0.041 0.000 2.383 53 S HA -0.067 4.403 4.470 0.001 0.000 0.227 53 S C 1.730 176.369 174.600 0.065 0.000 1.026 53 S CA 1.073 59.295 58.200 0.037 0.000 0.981 53 S CB -0.243 62.974 63.200 0.029 0.000 0.818 53 S HN 0.249 nan 8.310 nan 0.000 0.472 54 L N 0.990 122.294 121.223 0.136 0.000 2.046 54 L HA -0.125 4.215 4.340 0.001 0.000 0.208 54 L C 2.661 179.576 176.870 0.075 0.000 1.077 54 L CA 1.280 56.270 54.840 0.251 0.000 0.747 54 L CB -1.398 40.842 42.059 0.302 0.000 0.896 54 L HN 0.310 nan 8.230 nan 0.000 0.432 55 T N -0.408 114.158 114.554 0.020 0.000 2.746 55 T HA -0.117 4.234 4.350 0.001 0.000 0.267 55 T C 1.743 176.370 174.700 -0.121 0.000 1.039 55 T CA 1.285 63.332 62.100 -0.089 0.000 1.142 55 T CB -0.192 68.766 68.868 0.148 0.000 0.866 55 T HN 0.274 nan 8.240 nan 0.000 0.444 56 N N 1.124 119.790 118.700 -0.057 0.000 2.188 56 N HA 0.061 4.801 4.740 0.001 0.000 0.184 56 N C 1.777 177.201 175.510 -0.143 0.000 1.018 56 N CA 0.737 53.745 53.050 -0.070 0.000 0.858 56 N CB -0.471 37.995 38.487 -0.035 0.000 0.989 56 N HN 0.324 nan 8.380 nan 0.000 0.426 57 L N 0.738 121.845 121.223 -0.193 0.000 2.141 57 L HA -0.095 4.246 4.340 0.001 0.000 0.209 57 L C 2.251 178.766 176.870 -0.592 0.000 1.094 57 L CA 0.959 55.589 54.840 -0.350 0.000 0.763 57 L CB -0.367 41.429 42.059 -0.438 0.000 0.908 57 L HN 0.219 nan 8.230 nan 0.000 0.437 58 S N -0.952 114.429 115.700 -0.532 0.000 2.428 58 S HA -0.172 4.299 4.470 0.001 0.000 0.230 58 S C 1.947 176.447 174.600 -0.168 0.000 1.014 58 S CA 0.688 58.684 58.200 -0.340 0.000 0.957 58 S CB -0.166 62.808 63.200 -0.376 0.000 0.784 58 S HN 0.202 nan 8.310 nan 0.000 0.499 59 K N 0.808 121.108 120.400 -0.168 0.000 2.283 59 K HA 0.109 4.429 4.320 0.001 0.000 0.202 59 K C 1.994 178.498 176.600 -0.160 0.000 1.048 59 K CA 1.051 57.276 56.287 -0.102 0.000 0.948 59 K CB -0.199 32.255 32.500 -0.078 0.000 0.742 59 K HN 0.438 nan 8.250 nan 0.000 0.458 60 V N -1.636 118.108 119.914 -0.283 0.000 3.212 60 V HA 0.049 4.169 4.120 0.001 0.000 0.244 60 V C 0.758 176.492 176.094 -0.600 0.000 1.151 60 V CA 0.548 62.572 62.300 -0.459 0.000 1.119 60 V CB -0.053 31.409 31.823 -0.602 0.000 0.838 60 V HN 0.216 nan 8.190 nan 0.000 0.470 61 Y N 1.787 121.960 120.300 -0.212 0.000 2.444 61 Y HA 0.693 5.244 4.550 0.001 0.000 0.249 61 Y C 1.333 177.226 175.900 -0.011 0.000 1.134 61 Y CA 0.257 58.273 58.100 -0.140 0.000 1.261 61 Y CB 0.505 38.822 38.460 -0.239 0.000 1.143 61 Y HN 0.551 nan 8.280 nan 0.000 0.523 62 G N 0.897 109.758 108.800 0.101 0.000 2.549 62 G HA2 -0.179 3.781 3.960 0.001 0.000 0.404 62 G HA3 -0.179 3.781 3.960 0.001 0.000 0.404 62 G C -2.106 172.985 174.900 0.319 0.000 1.292 62 G CA -0.406 44.807 45.100 0.189 0.000 0.935 62 G HN -0.035 nan 8.290 nan 0.000 0.512 63 P HA 0.167 nan 4.420 nan 0.000 0.231 63 P C 0.452 177.957 177.300 0.341 0.000 1.168 63 P CA 1.087 64.399 63.100 0.354 0.000 0.779 63 P CB 0.308 32.157 31.700 0.248 0.000 0.844 64 V N 2.097 122.204 119.914 0.322 0.000 2.340 64 V HA 0.346 4.466 4.120 0.001 0.000 0.277 64 V C -0.341 175.830 176.094 0.128 0.000 1.017 64 V CA -0.682 61.737 62.300 0.198 0.000 0.820 64 V CB 0.339 32.330 31.823 0.281 0.000 1.028 64 V HN -0.008 nan 8.190 nan 0.000 0.436 65 F N 1.100 121.037 119.950 -0.021 0.000 2.593 65 F HA 0.898 5.426 4.527 0.001 0.000 0.320 65 F C -0.041 175.690 175.800 -0.116 0.000 1.060 65 F CA -0.916 57.027 58.000 -0.095 0.000 0.940 65 F CB 1.465 40.441 39.000 -0.040 0.000 1.268 65 F HN 0.140 nan 8.300 nan 0.000 0.475 66 T N 3.292 117.862 114.554 0.027 0.000 2.875 66 T HA 0.666 5.016 4.350 0.001 0.000 0.284 66 T C -1.212 173.477 174.700 -0.018 0.000 0.995 66 T CA -0.322 61.726 62.100 -0.087 0.000 1.060 66 T CB 1.359 70.154 68.868 -0.122 0.000 0.967 66 T HN 0.526 nan 8.240 nan 0.000 0.476 67 L N 2.613 123.775 121.223 -0.103 0.000 2.409 67 L HA 0.541 4.882 4.340 0.001 0.000 0.262 67 L C -1.678 175.101 176.870 -0.151 0.000 0.992 67 L CA -0.858 53.973 54.840 -0.015 0.000 0.817 67 L CB 1.835 43.965 42.059 0.117 0.000 1.350 67 L HN 0.632 nan 8.230 nan 0.000 0.411 68 Y N 2.982 123.269 120.300 -0.022 0.000 2.328 68 Y HA 0.475 5.025 4.550 0.001 0.000 0.336 68 Y C -0.630 175.207 175.900 -0.105 0.000 0.960 68 Y CA -0.205 57.906 58.100 0.019 0.000 1.134 68 Y CB 1.366 39.826 38.460 -0.000 0.000 1.166 68 Y HN 0.322 nan 8.280 nan 0.000 0.464 69 F N 3.064 123.112 119.950 0.164 0.000 2.300 69 F HA 0.487 5.015 4.527 0.001 0.000 0.364 69 F C 1.030 176.876 175.800 0.078 0.000 1.090 69 F CA 0.089 58.157 58.000 0.114 0.000 1.200 69 F CB 0.474 39.604 39.000 0.217 0.000 1.493 69 F HN 0.835 nan 8.300 nan 0.000 0.518 70 G N 1.854 110.723 108.800 0.115 0.000 2.559 70 G HA2 -0.317 3.643 3.960 0.001 0.000 0.282 70 G HA3 -0.317 3.643 3.960 0.001 0.000 0.282 70 G C 0.751 175.776 174.900 0.208 0.000 1.177 70 G CA 0.252 45.426 45.100 0.125 0.000 0.960 70 G HN 0.420 nan 8.290 nan 0.000 0.540 71 L N 1.178 122.530 121.223 0.215 0.000 2.463 71 L HA 0.305 4.646 4.340 0.001 0.000 0.219 71 L C 1.534 178.587 176.870 0.305 0.000 1.088 71 L CA 0.379 55.356 54.840 0.229 0.000 0.849 71 L CB 0.005 42.154 42.059 0.151 0.000 1.012 71 L HN 0.387 nan 8.230 nan 0.000 0.468 72 K N 3.345 123.882 120.400 0.229 0.000 2.412 72 K HA 0.102 4.422 4.320 0.001 0.000 0.284 72 K C -2.294 174.335 176.600 0.050 0.000 1.046 72 K CA -1.493 54.865 56.287 0.119 0.000 0.999 72 K CB 0.721 33.248 32.500 0.046 0.000 0.941 72 K HN -0.138 nan 8.250 nan 0.000 0.474 73 P HA 0.244 nan 4.420 nan 0.000 0.293 73 P C -0.972 176.156 177.300 -0.286 0.000 1.300 73 P CA -0.500 62.298 63.100 -0.504 0.000 0.792 73 P CB 1.074 32.528 31.700 -0.409 0.000 0.925 74 I N 3.613 124.038 120.570 -0.242 0.000 2.569 74 I HA 0.277 4.448 4.170 0.001 0.000 0.296 74 I C -0.265 175.761 176.117 -0.151 0.000 1.028 74 I CA -0.923 60.306 61.300 -0.118 0.000 1.082 74 I CB 2.384 40.443 38.000 0.099 0.000 1.264 74 I HN 0.080 nan 8.210 nan 0.000 0.429 75 V N 6.414 126.238 119.914 -0.150 0.000 2.370 75 V HA 0.475 4.595 4.120 0.001 0.000 0.283 75 V C -0.290 175.665 176.094 -0.231 0.000 1.023 75 V CA -0.766 61.426 62.300 -0.181 0.000 0.857 75 V CB 1.649 33.406 31.823 -0.109 0.000 0.985 75 V HN 0.390 nan 8.190 nan 0.000 0.443 76 V N 6.633 126.278 119.914 -0.448 0.000 2.472 76 V HA 0.475 4.595 4.120 0.001 0.000 0.290 76 V C -0.117 175.729 176.094 -0.414 0.000 1.037 76 V CA -0.524 61.460 62.300 -0.527 0.000 0.908 76 V CB 1.683 32.910 31.823 -0.994 0.000 0.985 76 V HN 0.618 nan 8.190 nan 0.000 0.454 77 L N 4.260 125.363 121.223 -0.200 0.000 2.305 77 L HA 0.501 4.841 4.340 0.001 0.000 0.284 77 L C 0.874 177.776 176.870 0.053 0.000 1.013 77 L CA -0.488 54.312 54.840 -0.068 0.000 0.819 77 L CB 1.330 43.293 42.059 -0.160 0.000 1.227 77 L HN 0.765 nan 8.230 nan 0.000 0.417 78 H N 2.580 121.680 119.070 0.051 0.000 2.315 78 H HA 0.156 4.712 4.556 0.001 0.000 0.318 78 H C 0.956 176.350 175.328 0.110 0.000 1.068 78 H CA 0.663 56.781 56.048 0.117 0.000 1.465 78 H CB 0.973 30.883 29.762 0.247 0.000 1.475 78 H HN 0.719 nan 8.280 nan 0.000 0.597 79 G N -0.988 107.829 108.800 0.028 0.000 2.653 79 G HA2 -0.077 3.883 3.960 0.001 0.000 0.265 79 G HA3 -0.077 3.883 3.960 0.001 0.000 0.265 79 G C 0.416 175.318 174.900 0.004 0.000 1.237 79 G CA 0.031 45.121 45.100 -0.016 0.000 0.946 79 G HN 0.532 nan 8.290 nan 0.000 0.522 80 Y N -0.294 120.001 120.300 -0.007 0.000 2.181 80 Y HA -0.130 4.421 4.550 0.001 0.000 0.288 80 Y C 2.706 178.553 175.900 -0.088 0.000 1.146 80 Y CA 2.470 60.516 58.100 -0.089 0.000 1.164 80 Y CB 0.090 38.419 38.460 -0.218 0.000 0.982 80 Y HN 0.461 nan 8.280 nan 0.000 0.515 81 E N 0.593 120.705 120.200 -0.147 0.000 2.058 81 E HA -0.238 4.112 4.350 0.001 0.000 0.194 81 E C 2.417 178.907 176.600 -0.183 0.000 0.997 81 E CA 1.379 57.672 56.400 -0.178 0.000 0.801 81 E CB -0.832 28.877 29.700 0.015 0.000 0.746 81 E HN 0.598 nan 8.360 nan 0.000 0.450 82 A N 0.830 123.604 122.820 -0.076 0.000 1.929 82 A HA -0.081 4.240 4.320 0.001 0.000 0.216 82 A C 2.623 180.163 177.584 -0.072 0.000 1.176 82 A CA 1.149 53.209 52.037 0.038 0.000 0.628 82 A CB -0.483 18.594 19.000 0.129 0.000 0.816 82 A HN 0.128 nan 8.150 nan 0.000 0.444 83 V N 0.627 120.412 119.914 -0.216 0.000 2.307 83 V HA -0.253 3.868 4.120 0.001 0.000 0.245 83 V C 2.593 178.458 176.094 -0.382 0.000 1.045 83 V CA 2.474 64.589 62.300 -0.309 0.000 1.024 83 V CB -0.644 31.026 31.823 -0.256 0.000 0.651 83 V HN 0.761 nan 8.190 nan 0.000 0.449 84 K N 1.106 121.191 120.400 -0.525 0.000 2.009 84 K HA -0.262 4.058 4.320 0.001 0.000 0.210 84 K C 2.097 178.533 176.600 -0.273 0.000 1.049 84 K CA 2.429 58.419 56.287 -0.494 0.000 0.929 84 K CB -0.577 31.431 32.500 -0.820 0.000 0.714 84 K HN 0.487 nan 8.250 nan 0.000 0.440 85 E N -0.588 119.493 120.200 -0.198 0.000 2.085 85 E HA -0.230 4.121 4.350 0.001 0.000 0.194 85 E C 1.756 178.336 176.600 -0.033 0.000 0.994 85 E CA 1.344 57.726 56.400 -0.031 0.000 0.801 85 E CB -0.231 29.517 29.700 0.080 0.000 0.743 85 E HN 0.493 nan 8.360 nan 0.000 0.453 86 A N 0.355 123.001 122.820 -0.290 0.000 1.843 86 A HA -0.100 4.221 4.320 0.001 0.000 0.213 86 A C 2.002 179.218 177.584 -0.614 0.000 1.202 86 A CA 0.800 52.289 52.037 -0.913 0.000 0.607 86 A CB -0.504 17.404 19.000 -1.820 0.000 0.847 86 A HN 0.237 nan 8.150 nan 0.000 0.445 87 L N -0.591 120.342 121.223 -0.482 0.000 2.093 87 L HA -0.028 4.313 4.340 0.001 0.000 0.208 87 L C 2.151 178.957 176.870 -0.107 0.000 1.085 87 L CA 1.471 56.148 54.840 -0.272 0.000 0.755 87 L CB -0.680 41.214 42.059 -0.275 0.000 0.904 87 L HN 0.401 nan 8.230 nan 0.000 0.435 88 I N -1.685 118.824 120.570 -0.102 0.000 2.962 88 I HA -0.066 4.105 4.170 0.001 0.000 0.246 88 I C 1.911 178.031 176.117 0.005 0.000 1.091 88 I CA 0.301 61.583 61.300 -0.030 0.000 1.469 88 I CB -0.190 37.791 38.000 -0.032 0.000 1.324 88 I HN 0.032 nan 8.210 nan 0.000 0.461 89 D N 0.984 121.384 120.400 -0.000 0.000 2.116 89 D HA -0.123 4.517 4.640 0.001 0.000 0.193 89 D C 1.106 177.456 176.300 0.082 0.000 0.998 89 D CA 1.493 55.518 54.000 0.041 0.000 0.836 89 D CB -0.064 40.765 40.800 0.049 0.000 0.951 89 D HN 0.069 nan 8.370 nan 0.000 0.449 90 L N 0.564 121.856 121.223 0.115 0.000 3.108 90 L HA 0.345 4.686 4.340 0.001 0.000 0.251 90 L C 1.847 178.852 176.870 0.225 0.000 1.315 90 L CA -0.158 54.804 54.840 0.203 0.000 1.048 90 L CB 0.098 42.376 42.059 0.365 0.000 1.432 90 L HN -0.076 nan 8.230 nan 0.000 0.543 91 G N -0.425 108.451 108.800 0.127 0.000 2.574 91 G HA2 -0.293 3.667 3.960 0.001 0.000 0.220 91 G HA3 -0.293 3.667 3.960 0.001 0.000 0.220 91 G C 1.452 176.439 174.900 0.145 0.000 1.173 91 G CA 0.557 45.729 45.100 0.120 0.000 0.772 91 G HN 0.356 nan 8.290 nan 0.000 0.585 92 E N 0.630 120.901 120.200 0.118 0.000 2.051 92 E HA -0.101 4.249 4.350 0.001 0.000 0.192 92 E C 2.621 179.249 176.600 0.047 0.000 0.991 92 E CA 1.213 57.673 56.400 0.100 0.000 0.799 92 E CB -0.229 29.517 29.700 0.076 0.000 0.748 92 E HN 0.479 nan 8.360 nan 0.000 0.449 93 E N -0.688 119.517 120.200 0.007 0.000 2.204 93 E HA -0.115 4.235 4.350 0.001 0.000 0.195 93 E C 1.028 177.423 176.600 -0.341 0.000 0.990 93 E CA 0.715 57.015 56.400 -0.167 0.000 0.821 93 E CB -0.191 29.382 29.700 -0.211 0.000 0.750 93 E HN 0.198 nan 8.360 nan 0.000 0.477 94 F N -0.375 119.518 119.950 -0.095 0.000 2.684 94 F HA 0.166 4.693 4.527 0.001 0.000 0.298 94 F C 1.276 177.048 175.800 -0.045 0.000 1.120 94 F CA -0.157 57.764 58.000 -0.131 0.000 1.332 94 F CB 0.437 39.296 39.000 -0.234 0.000 0.986 94 F HN -0.071 nan 8.300 nan 0.000 0.524 95 S N -1.356 114.388 115.700 0.073 0.000 2.575 95 S HA 0.254 4.725 4.470 0.001 0.000 0.215 95 S C 1.121 175.527 174.600 -0.322 0.000 0.966 95 S CA -0.135 58.055 58.200 -0.016 0.000 0.911 95 S CB -0.336 62.918 63.200 0.090 0.000 0.780 95 S HN 0.169 nan 8.310 nan 0.000 0.514 96 G N 1.359 110.021 108.800 -0.229 0.000 2.503 96 G HA2 0.479 4.440 3.960 0.001 0.000 0.257 96 G HA3 0.479 4.440 3.960 0.001 0.000 0.257 96 G C -0.496 174.157 174.900 -0.411 0.000 1.214 96 G CA -0.853 44.041 45.100 -0.343 0.000 0.839 96 G HN 0.405 nan 8.290 nan 0.000 0.559 97 R N 0.669 120.881 120.500 -0.481 0.000 2.229 97 R HA 0.532 4.872 4.340 0.001 0.000 0.328 97 R C 0.497 176.593 176.300 -0.341 0.000 1.009 97 R CA -0.211 55.604 56.100 -0.476 0.000 0.864 97 R CB 0.710 30.722 30.300 -0.480 0.000 1.085 97 R HN 0.595 nan 8.270 nan 0.000 0.453 98 G N 4.443 113.052 108.800 -0.317 0.000 2.420 98 G HA2 0.532 4.492 3.960 0.001 0.000 0.284 98 G HA3 0.532 4.492 3.960 0.001 0.000 0.284 98 G C -0.553 174.196 174.900 -0.251 0.000 1.177 98 G CA -0.635 44.297 45.100 -0.280 0.000 0.841 98 G HN 0.617 nan 8.290 nan 0.000 0.527 99 I N 1.117 121.543 120.570 -0.240 0.000 2.478 99 I HA 0.290 4.461 4.170 0.001 0.000 0.287 99 I C -0.828 175.186 176.117 -0.171 0.000 1.042 99 I CA -0.580 60.651 61.300 -0.115 0.000 1.067 99 I CB 1.842 39.858 38.000 0.026 0.000 1.233 99 I HN 0.235 nan 8.210 nan 0.000 0.431 100 F N 6.562 126.442 119.950 -0.118 0.000 2.380 100 F HA 0.286 4.814 4.527 0.001 0.000 0.325 100 F C -1.167 174.611 175.800 -0.037 0.000 1.136 100 F CA -1.212 56.725 58.000 -0.105 0.000 1.171 100 F CB 0.288 39.196 39.000 -0.155 0.000 1.230 100 F HN 0.314 nan 8.300 nan 0.000 0.554 101 P HA -0.259 nan 4.420 nan 0.000 0.216 101 P C 2.079 179.406 177.300 0.045 0.000 1.167 101 P CA 1.473 64.625 63.100 0.087 0.000 0.914 101 P CB 0.120 31.887 31.700 0.111 0.000 0.793 102 L N -0.779 120.473 121.223 0.049 0.000 2.012 102 L HA -0.200 4.140 4.340 0.001 0.000 0.210 102 L C 2.097 178.983 176.870 0.027 0.000 1.073 102 L CA 2.571 57.387 54.840 -0.040 0.000 0.748 102 L CB -1.408 40.637 42.059 -0.024 0.000 0.891 102 L HN -0.037 nan 8.230 nan 0.000 0.431 103 A N -0.259 122.632 122.820 0.117 0.000 1.933 103 A HA -0.284 4.037 4.320 0.001 0.000 0.218 103 A C 2.191 179.910 177.584 0.224 0.000 1.175 103 A CA 1.778 53.950 52.037 0.224 0.000 0.628 103 A CB -0.580 18.589 19.000 0.280 0.000 0.814 103 A HN 0.667 nan 8.150 nan 0.000 0.444 104 E N -0.627 119.669 120.200 0.160 0.000 2.077 104 E HA -0.212 4.138 4.350 0.001 0.000 0.193 104 E C 2.099 178.734 176.600 0.057 0.000 0.989 104 E CA 0.996 57.472 56.400 0.128 0.000 0.800 104 E CB -0.085 29.672 29.700 0.095 0.000 0.746 104 E HN 0.378 nan 8.360 nan 0.000 0.452 105 R N -0.161 120.356 120.500 0.028 0.000 2.153 105 R HA 0.058 4.399 4.340 0.001 0.000 0.218 105 R C 1.944 178.327 176.300 0.139 0.000 1.072 105 R CA 0.971 57.097 56.100 0.043 0.000 0.990 105 R CB -0.247 29.979 30.300 -0.122 0.000 0.889 105 R HN 0.236 nan 8.270 nan 0.000 0.452 106 A N 0.621 123.489 122.820 0.080 0.000 2.238 106 A HA 0.013 4.334 4.320 0.001 0.000 0.208 106 A C 0.373 177.911 177.584 -0.076 0.000 1.177 106 A CA 0.065 52.132 52.037 0.050 0.000 0.804 106 A CB -0.230 18.802 19.000 0.055 0.000 0.823 106 A HN 0.142 nan 8.150 nan 0.000 0.482 107 N N -0.344 118.272 118.700 -0.140 0.000 2.372 107 N HA 0.559 5.300 4.740 0.001 0.000 0.285 107 N C -0.983 174.323 175.510 -0.339 0.000 1.008 107 N CA -0.385 52.458 53.050 -0.346 0.000 0.880 107 N CB 0.953 39.089 38.487 -0.584 0.000 1.239 107 N HN 0.057 nan 8.380 nan 0.000 0.484 108 R N 2.034 122.322 120.500 -0.354 0.000 2.412 108 R HA 0.679 5.019 4.340 0.001 0.000 0.304 108 R C -0.925 175.146 176.300 -0.381 0.000 1.066 108 R CA -0.195 55.716 56.100 -0.314 0.000 0.923 108 R CB 0.830 31.019 30.300 -0.185 0.000 1.156 108 R HN 0.768 nan 8.270 nan 0.000 0.513 109 G N 2.398 110.859 108.800 -0.565 0.000 2.770 109 G HA2 -0.074 3.887 3.960 0.001 0.000 0.686 109 G HA3 -0.074 3.887 3.960 0.001 0.000 0.686 109 G C -1.455 173.053 174.900 -0.653 0.000 1.180 109 G CA -1.033 43.784 45.100 -0.472 0.000 0.767 109 G HN 0.245 nan 8.290 nan 0.000 0.646 110 F N 1.516 121.454 119.950 -0.021 0.000 2.482 110 F HA 0.731 5.259 4.527 0.001 0.000 0.331 110 F C 1.229 177.063 175.800 0.057 0.000 1.115 110 F CA 0.427 58.442 58.000 0.025 0.000 0.955 110 F CB 2.147 41.184 39.000 0.061 0.000 1.136 110 F HN 0.781 nan 8.300 nan 0.000 0.452 111 G N 2.048 111.025 108.800 0.296 0.000 2.495 111 G HA2 0.170 4.130 3.960 0.001 0.000 0.219 111 G HA3 0.170 4.130 3.960 0.001 0.000 0.219 111 G C 0.574 175.649 174.900 0.291 0.000 1.875 111 G CA 0.437 45.679 45.100 0.236 0.000 0.757 111 G HN 0.613 nan 8.290 nan 0.000 0.682 112 I N -0.966 119.796 120.570 0.320 0.000 4.046 112 I HA 0.170 4.340 4.170 0.001 0.000 0.285 112 I C 2.352 178.699 176.117 0.384 0.000 1.183 112 I CA 0.277 61.797 61.300 0.367 0.000 1.337 112 I CB 0.396 38.576 38.000 0.300 0.000 1.478 112 I HN 0.044 nan 8.210 nan 0.000 0.452 113 V N 1.572 121.686 119.914 0.333 0.000 2.287 113 V HA -0.249 3.871 4.120 0.001 0.000 0.248 113 V C 1.913 178.083 176.094 0.126 0.000 1.053 113 V CA 2.131 64.564 62.300 0.221 0.000 1.027 113 V CB -0.734 31.243 31.823 0.257 0.000 0.646 113 V HN 0.372 nan 8.190 nan 0.000 0.447 114 F N -0.390 119.643 119.950 0.140 0.000 2.727 114 F HA 0.281 4.808 4.527 0.001 0.000 0.302 114 F C 1.438 177.281 175.800 0.072 0.000 1.097 114 F CA -0.366 57.735 58.000 0.169 0.000 1.330 114 F CB -0.469 38.753 39.000 0.369 0.000 1.084 114 F HN -0.052 nan 8.300 nan 0.000 0.578 115 S N 0.542 116.381 115.700 0.231 0.000 2.600 115 S HA 0.275 4.746 4.470 0.001 0.000 0.265 115 S C 0.161 174.668 174.600 -0.156 0.000 1.325 115 S CA -0.315 57.883 58.200 -0.003 0.000 1.002 115 S CB 0.575 63.919 63.200 0.239 0.000 0.921 115 S HN 0.181 nan 8.310 nan 0.000 0.554 116 N N -0.739 117.870 118.700 -0.152 0.000 2.525 116 N HA 0.547 5.287 4.740 0.001 0.000 0.270 116 N C 0.322 175.856 175.510 0.041 0.000 1.321 116 N CA 0.264 53.235 53.050 -0.131 0.000 0.797 116 N CB 1.769 40.108 38.487 -0.246 0.000 1.529 116 N HN 0.794 nan 8.380 nan 0.000 0.491 117 G N 1.287 110.147 108.800 0.100 0.000 2.566 117 G HA2 -0.376 3.584 3.960 0.001 0.000 0.280 117 G HA3 -0.376 3.584 3.960 0.001 0.000 0.280 117 G C 0.694 175.691 174.900 0.161 0.000 1.225 117 G CA 0.929 46.098 45.100 0.114 0.000 0.966 117 G HN 0.625 nan 8.290 nan 0.000 0.560 118 K N 0.495 120.939 120.400 0.073 0.000 2.097 118 K HA 0.025 4.346 4.320 0.001 0.000 0.205 118 K C 2.476 179.086 176.600 0.016 0.000 1.050 118 K CA 1.588 57.898 56.287 0.038 0.000 0.938 118 K CB -0.114 32.397 32.500 0.017 0.000 0.718 118 K HN 0.470 nan 8.250 nan 0.000 0.442 119 K N 0.132 120.549 120.400 0.028 0.000 2.057 119 K HA -0.207 4.114 4.320 0.001 0.000 0.207 119 K C 1.944 178.574 176.600 0.050 0.000 1.049 119 K CA 1.489 57.778 56.287 0.004 0.000 0.931 119 K CB -0.158 32.357 32.500 0.025 0.000 0.714 119 K HN 0.279 nan 8.250 nan 0.000 0.440 120 W N 1.887 123.162 121.300 -0.042 0.000 2.380 120 W HA -0.107 4.554 4.660 0.001 0.000 0.317 120 W C 1.611 178.139 176.519 0.016 0.000 1.196 120 W CA 1.549 58.889 57.345 -0.009 0.000 1.307 120 W CB -0.240 29.203 29.460 -0.028 0.000 1.157 120 W HN -0.097 nan 8.180 nan 0.000 0.483 121 K N 0.101 120.314 120.400 -0.312 0.000 2.059 121 K HA -0.268 4.053 4.320 0.001 0.000 0.212 121 K C 1.948 178.359 176.600 -0.316 0.000 1.050 121 K CA 2.354 58.334 56.287 -0.511 0.000 0.927 121 K CB -0.431 31.954 32.500 -0.192 0.000 0.714 121 K HN 0.330 nan 8.250 nan 0.000 0.447 122 E N 0.482 120.592 120.200 -0.150 0.000 2.028 122 E HA -0.117 4.234 4.350 0.001 0.000 0.190 122 E C 2.118 178.737 176.600 0.031 0.000 0.984 122 E CA 0.929 57.311 56.400 -0.031 0.000 0.800 122 E CB -0.037 29.647 29.700 -0.026 0.000 0.758 122 E HN 0.248 nan 8.360 nan 0.000 0.448 123 I N 0.833 121.337 120.570 -0.110 0.000 2.286 123 I HA -0.267 3.904 4.170 0.001 0.000 0.248 123 I C 2.719 178.954 176.117 0.196 0.000 1.115 123 I CA 0.938 62.267 61.300 0.049 0.000 1.392 123 I CB -0.244 37.777 38.000 0.035 0.000 1.065 123 I HN 0.065 nan 8.210 nan 0.000 0.418 124 R N 1.303 121.775 120.500 -0.047 0.000 2.066 124 R HA -0.187 4.153 4.340 0.001 0.000 0.232 124 R C 2.509 178.792 176.300 -0.028 0.000 1.131 124 R CA 1.434 57.481 56.100 -0.088 0.000 0.955 124 R CB -0.192 29.837 30.300 -0.450 0.000 0.851 124 R HN 0.192 nan 8.270 nan 0.000 0.432 125 R N -0.331 120.130 120.500 -0.064 0.000 2.091 125 R HA -0.198 4.142 4.340 0.001 0.000 0.238 125 R C 2.125 178.464 176.300 0.065 0.000 1.136 125 R CA 1.991 58.082 56.100 -0.016 0.000 0.959 125 R CB -0.522 29.769 30.300 -0.015 0.000 0.856 125 R HN 0.316 nan 8.270 nan 0.000 0.437 126 F N 0.917 120.902 119.950 0.058 0.000 2.075 126 F HA -0.165 4.363 4.527 0.001 0.000 0.297 126 F C 2.167 178.020 175.800 0.088 0.000 1.113 126 F CA 2.015 60.055 58.000 0.068 0.000 1.218 126 F CB -0.347 38.769 39.000 0.194 0.000 0.984 126 F HN -0.008 nan 8.300 nan 0.000 0.472 127 S N 1.288 117.048 115.700 0.099 0.000 2.370 127 S HA -0.201 4.269 4.470 0.001 0.000 0.226 127 S C 2.098 176.700 174.600 0.004 0.000 1.033 127 S CA 1.634 59.933 58.200 0.166 0.000 1.011 127 S CB -0.729 62.704 63.200 0.388 0.000 0.852 127 S HN 0.409 nan 8.310 nan 0.000 0.457 128 L N 0.136 121.350 121.223 -0.015 0.000 2.083 128 L HA -0.138 4.202 4.340 0.001 0.000 0.209 128 L C 2.529 179.343 176.870 -0.094 0.000 1.083 128 L CA 1.091 55.905 54.840 -0.043 0.000 0.752 128 L CB -0.333 41.705 42.059 -0.034 0.000 0.899 128 L HN 0.329 nan 8.230 nan 0.000 0.433 129 M N -0.394 119.112 119.600 -0.157 0.000 2.086 129 M HA -0.189 4.291 4.480 0.001 0.000 0.261 129 M C 2.440 178.604 176.300 -0.226 0.000 1.067 129 M CA 2.422 57.611 55.300 -0.187 0.000 1.116 129 M CB -0.329 32.137 32.600 -0.223 0.000 1.348 129 M HN 0.358 nan 8.290 nan 0.000 0.407 130 T N -1.975 112.358 114.554 -0.369 0.000 2.995 130 T HA -0.032 4.319 4.350 0.001 0.000 0.269 130 T C 1.550 176.187 174.700 -0.104 0.000 1.091 130 T CA 0.861 62.785 62.100 -0.293 0.000 1.128 130 T CB -0.653 67.923 68.868 -0.486 0.000 0.891 130 T HN 0.436 nan 8.240 nan 0.000 0.492 131 L N 0.184 121.365 121.223 -0.070 0.000 2.627 131 L HA 0.268 4.609 4.340 0.001 0.000 0.233 131 L C 1.293 178.115 176.870 -0.079 0.000 1.144 131 L CA -0.272 54.539 54.840 -0.048 0.000 0.892 131 L CB -0.220 41.821 42.059 -0.031 0.000 1.039 131 L HN 0.122 nan 8.230 nan 0.000 0.442 132 R N 0.262 120.714 120.500 -0.080 0.000 2.694 132 R HA -0.039 4.301 4.340 0.001 0.000 0.268 132 R C 1.278 177.513 176.300 -0.109 0.000 1.061 132 R CA -0.020 56.038 56.100 -0.069 0.000 1.133 132 R CB 0.319 30.599 30.300 -0.032 0.000 1.020 132 R HN 0.139 nan 8.270 nan 0.000 0.475 133 N N 0.850 119.460 118.700 -0.149 0.000 2.094 133 N HA -0.189 4.551 4.740 0.001 0.000 0.191 133 N C 0.073 175.237 175.510 -0.576 0.000 1.023 133 N CA 1.354 54.179 53.050 -0.375 0.000 0.857 133 N CB 0.102 38.317 38.487 -0.453 0.000 1.013 133 N HN 0.383 nan 8.380 nan 0.000 0.426 134 F N -1.077 118.843 119.950 -0.051 0.000 2.791 134 F HA 0.370 4.898 4.527 0.001 0.000 0.308 134 F C 1.469 177.236 175.800 -0.055 0.000 1.138 134 F CA -0.537 57.434 58.000 -0.048 0.000 1.294 134 F CB 0.832 39.808 39.000 -0.041 0.000 0.975 134 F HN -0.064 nan 8.300 nan 0.000 0.512 135 G N -0.060 108.759 108.800 0.031 0.000 3.181 135 G HA2 0.153 4.113 3.960 0.001 0.000 0.219 135 G HA3 0.153 4.113 3.960 0.001 0.000 0.219 135 G C 0.642 175.518 174.900 -0.040 0.000 1.182 135 G CA 0.097 45.190 45.100 -0.013 0.000 0.791 135 G HN 0.296 nan 8.290 nan 0.000 0.537 136 M N 0.758 120.342 119.600 -0.026 0.000 3.568 136 M HA 0.359 4.840 4.480 0.001 0.000 0.386 136 M C 0.478 176.760 176.300 -0.030 0.000 1.765 136 M CA 0.096 55.374 55.300 -0.037 0.000 0.568 136 M CB 1.493 34.063 32.600 -0.050 0.000 1.428 136 M HN 0.295 nan 8.290 nan 0.000 0.493 137 G N 1.030 109.834 108.800 0.006 0.000 2.587 137 G HA2 -0.219 3.742 3.960 0.001 0.000 0.212 137 G HA3 -0.219 3.742 3.960 0.001 0.000 0.212 137 G C 0.121 175.052 174.900 0.052 0.000 1.327 137 G CA -0.362 44.748 45.100 0.018 0.000 0.898 137 G HN 0.516 nan 8.290 nan 0.000 0.551 138 K N 0.021 120.451 120.400 0.051 0.000 2.103 138 K HA -0.091 4.229 4.320 0.001 0.000 0.207 138 K C 1.639 178.298 176.600 0.099 0.000 1.048 138 K CA 1.294 57.627 56.287 0.078 0.000 0.930 138 K CB 0.054 32.592 32.500 0.063 0.000 0.716 138 K HN 0.468 nan 8.250 nan 0.000 0.444 139 R N 2.147 122.670 120.500 0.039 0.000 2.265 139 R HA 0.035 4.375 4.340 0.001 0.000 0.314 139 R C -0.309 175.957 176.300 -0.058 0.000 1.053 139 R CA -0.165 55.939 56.100 0.006 0.000 0.931 139 R CB 0.854 31.140 30.300 -0.024 0.000 1.024 139 R HN 0.075 nan 8.270 nan 0.000 0.457 140 S N 4.494 120.125 115.700 -0.115 0.000 2.632 140 S HA 0.174 4.645 4.470 0.001 0.000 0.267 140 S C 1.551 175.991 174.600 -0.267 0.000 1.276 140 S CA -0.958 57.027 58.200 -0.358 0.000 0.998 140 S CB 0.844 63.621 63.200 -0.705 0.000 0.953 140 S HN 0.555 nan 8.310 nan 0.000 0.547 141 I N 1.073 121.458 120.570 -0.308 0.000 2.226 141 I HA -0.140 4.030 4.170 0.001 0.000 0.245 141 I C 2.689 178.700 176.117 -0.177 0.000 1.100 141 I CA 1.822 62.999 61.300 -0.205 0.000 1.374 141 I CB -1.542 36.339 38.000 -0.200 0.000 1.057 141 I HN 0.967 nan 8.210 nan 0.000 0.413 142 E N 0.917 120.983 120.200 -0.223 0.000 2.130 142 E HA -0.280 4.070 4.350 0.001 0.000 0.196 142 E C 1.947 178.490 176.600 -0.094 0.000 0.998 142 E CA 1.610 57.918 56.400 -0.153 0.000 0.806 142 E CB -0.030 29.574 29.700 -0.159 0.000 0.738 142 E HN 0.394 nan 8.360 nan 0.000 0.459 143 D N -0.224 120.116 120.400 -0.100 0.000 2.117 143 D HA -0.123 4.517 4.640 0.001 0.000 0.198 143 D C 2.034 178.323 176.300 -0.019 0.000 0.982 143 D CA 0.823 54.798 54.000 -0.041 0.000 0.828 143 D CB 0.129 40.911 40.800 -0.029 0.000 0.967 143 D HN 0.186 nan 8.370 nan 0.000 0.464 144 R N 0.116 120.595 120.500 -0.035 0.000 2.096 144 R HA -0.080 4.261 4.340 0.001 0.000 0.235 144 R C 2.450 178.765 176.300 0.026 0.000 1.127 144 R CA 0.635 56.732 56.100 -0.005 0.000 0.968 144 R CB -0.144 30.140 30.300 -0.025 0.000 0.861 144 R HN 0.098 nan 8.270 nan 0.000 0.440 145 V N 1.153 121.067 119.914 -0.001 0.000 2.548 145 V HA -0.202 3.918 4.120 0.001 0.000 0.249 145 V C 2.146 178.295 176.094 0.092 0.000 1.055 145 V CA 1.594 63.905 62.300 0.019 0.000 1.065 145 V CB -0.402 31.353 31.823 -0.113 0.000 0.681 145 V HN 0.349 nan 8.190 nan 0.000 0.462 146 Q N -0.316 119.515 119.800 0.053 0.000 2.172 146 Q HA -0.213 4.127 4.340 0.001 0.000 0.200 146 Q C 2.306 178.360 176.000 0.090 0.000 0.964 146 Q CA 1.500 57.348 55.803 0.075 0.000 0.855 146 Q CB -0.077 28.685 28.738 0.041 0.000 0.918 146 Q HN 0.723 nan 8.270 nan 0.000 0.444 147 E N 0.969 121.211 120.200 0.069 0.000 2.072 147 E HA -0.239 4.112 4.350 0.001 0.000 0.191 147 E C 1.724 178.363 176.600 0.065 0.000 0.985 147 E CA 0.968 57.397 56.400 0.049 0.000 0.801 147 E CB 0.191 29.907 29.700 0.026 0.000 0.750 147 E HN 0.133 nan 8.360 nan 0.000 0.452 148 E N 0.408 120.686 120.200 0.129 0.000 2.110 148 E HA -0.131 4.219 4.350 0.001 0.000 0.193 148 E C 1.689 178.380 176.600 0.153 0.000 0.988 148 E CA 1.333 57.830 56.400 0.161 0.000 0.804 148 E CB -0.283 29.600 29.700 0.304 0.000 0.745 148 E HN 0.358 nan 8.360 nan 0.000 0.458 149 A N 0.566 123.574 122.820 0.313 0.000 1.933 149 A HA -0.188 4.132 4.320 0.001 0.000 0.218 149 A C 2.243 179.888 177.584 0.102 0.000 1.175 149 A CA 1.732 53.931 52.037 0.269 0.000 0.628 149 A CB -0.539 18.689 19.000 0.381 0.000 0.814 149 A HN 0.237 nan 8.150 nan 0.000 0.444 150 R N -0.676 119.871 120.500 0.078 0.000 2.081 150 R HA -0.146 4.195 4.340 0.001 0.000 0.235 150 R C 2.064 178.367 176.300 0.005 0.000 1.131 150 R CA 1.998 58.119 56.100 0.034 0.000 0.960 150 R CB -0.653 29.660 30.300 0.021 0.000 0.856 150 R HN 0.549 nan 8.270 nan 0.000 0.436 151 C N 0.580 119.864 119.300 -0.027 0.000 2.440 151 C HA -0.015 4.445 4.460 0.001 0.000 0.278 151 C C 2.584 177.550 174.990 -0.039 0.000 1.295 151 C CA 0.225 59.184 59.018 -0.099 0.000 1.738 151 C CB -1.006 26.596 27.740 -0.231 0.000 1.987 151 C HN 0.568 nan 8.230 nan 0.000 0.492 152 L N 0.770 121.988 121.223 -0.009 0.000 2.012 152 L HA -0.156 4.185 4.340 0.001 0.000 0.210 152 L C 2.530 179.395 176.870 -0.008 0.000 1.073 152 L CA 1.741 56.566 54.840 -0.024 0.000 0.748 152 L CB -0.380 41.527 42.059 -0.253 0.000 0.891 152 L HN 0.209 nan 8.230 nan 0.000 0.431 153 V N -0.207 119.735 119.914 0.047 0.000 2.407 153 V HA -0.288 3.833 4.120 0.001 0.000 0.248 153 V C 2.368 178.564 176.094 0.169 0.000 1.055 153 V CA 1.890 64.295 62.300 0.174 0.000 1.049 153 V CB -0.423 31.476 31.823 0.127 0.000 0.662 153 V HN 0.449 nan 8.190 nan 0.000 0.455 154 E N -0.016 120.229 120.200 0.075 0.000 2.058 154 E HA -0.216 4.134 4.350 0.001 0.000 0.194 154 E C 2.344 178.982 176.600 0.064 0.000 0.997 154 E CA 1.368 57.801 56.400 0.056 0.000 0.801 154 E CB -0.113 29.585 29.700 -0.003 0.000 0.746 154 E HN 0.489 nan 8.360 nan 0.000 0.450 155 E N -0.063 120.172 120.200 0.057 0.000 2.106 155 E HA -0.138 4.212 4.350 0.001 0.000 0.192 155 E C 2.192 178.763 176.600 -0.049 0.000 0.984 155 E CA 0.710 57.147 56.400 0.062 0.000 0.806 155 E CB -0.131 29.676 29.700 0.179 0.000 0.750 155 E HN 0.355 nan 8.360 nan 0.000 0.458 156 L N 0.073 121.194 121.223 -0.170 0.000 2.291 156 L HA -0.072 4.268 4.340 0.001 0.000 0.214 156 L C 2.648 179.338 176.870 -0.301 0.000 1.120 156 L CA 0.642 55.178 54.840 -0.505 0.000 0.799 156 L CB -0.210 41.231 42.059 -1.030 0.000 0.925 156 L HN -0.001 nan 8.230 nan 0.000 0.446 157 R N 0.380 120.924 120.500 0.074 0.000 2.090 157 R HA -0.101 4.239 4.340 0.001 0.000 0.228 157 R C 2.127 178.488 176.300 0.101 0.000 1.110 157 R CA 0.971 57.207 56.100 0.227 0.000 0.973 157 R CB 0.084 30.536 30.300 0.254 0.000 0.869 157 R HN 0.232 nan 8.270 nan 0.000 0.440 158 K N -0.304 120.129 120.400 0.056 0.000 2.360 158 K HA -0.084 4.237 4.320 0.001 0.000 0.201 158 K C 1.586 178.206 176.600 0.034 0.000 1.046 158 K CA 1.573 57.888 56.287 0.047 0.000 0.945 158 K CB 0.056 32.586 32.500 0.050 0.000 0.750 158 K HN 0.331 nan 8.250 nan 0.000 0.464 159 T N -1.453 113.107 114.554 0.009 0.000 3.160 159 T HA 0.019 4.369 4.350 0.001 0.000 0.257 159 T C 0.375 175.101 174.700 0.044 0.000 1.147 159 T CA -0.009 62.102 62.100 0.019 0.000 1.064 159 T CB -0.306 68.566 68.868 0.007 0.000 0.949 159 T HN 0.157 nan 8.240 nan 0.000 0.526 160 K N 0.927 121.361 120.400 0.058 0.000 3.012 160 K HA -0.199 4.122 4.320 0.001 0.000 0.259 160 K C 0.746 177.393 176.600 0.078 0.000 0.989 160 K CA 0.210 56.540 56.287 0.072 0.000 0.728 160 K CB -2.464 30.070 32.500 0.055 0.000 1.260 160 K HN 0.937 nan 8.250 nan 0.000 0.480 161 A N -1.219 121.657 122.820 0.093 0.000 2.860 161 A HA -0.276 4.045 4.320 0.001 0.000 0.267 161 A C 0.596 178.215 177.584 0.059 0.000 1.421 161 A CA 1.435 53.528 52.037 0.094 0.000 0.831 161 A CB -2.158 16.906 19.000 0.107 0.000 1.041 161 A HN 1.048 nan 8.150 nan 0.000 0.623 162 S N -1.474 114.258 115.700 0.054 0.000 2.651 162 S HA 0.749 5.220 4.470 0.001 0.000 0.291 162 S C -2.353 172.264 174.600 0.027 0.000 1.141 162 S CA -1.664 56.556 58.200 0.035 0.000 1.027 162 S CB 1.144 64.363 63.200 0.033 0.000 1.043 162 S HN 0.194 nan 8.310 nan 0.000 0.530 163 P HA 0.137 nan 4.420 nan 0.000 0.261 163 P C -0.593 176.712 177.300 0.008 0.000 1.173 163 P CA -0.004 63.095 63.100 -0.002 0.000 0.760 163 P CB 0.013 31.717 31.700 0.007 0.000 0.783 164 C N 3.672 122.965 119.300 -0.012 0.000 2.888 164 C HA 0.517 4.977 4.460 0.001 0.000 0.308 164 C C -1.189 173.747 174.990 -0.090 0.000 1.213 164 C CA -0.599 58.422 59.018 0.006 0.000 1.461 164 C CB 1.574 29.382 27.740 0.114 0.000 1.934 164 C HN 0.535 nan 8.230 nan 0.000 0.474 165 D N 5.100 125.446 120.400 -0.091 0.000 2.412 165 D HA 0.394 5.035 4.640 0.001 0.000 0.224 165 D C -1.002 175.218 176.300 -0.134 0.000 1.093 165 D CA -1.973 51.884 54.000 -0.238 0.000 0.850 165 D CB 1.557 42.305 40.800 -0.086 0.000 1.046 165 D HN 0.546 nan 8.370 nan 0.000 0.507 166 P HA -0.088 nan 4.420 nan 0.000 0.230 166 P C 1.067 178.331 177.300 -0.060 0.000 1.158 166 P CA 0.435 63.508 63.100 -0.044 0.000 0.769 166 P CB 0.267 32.000 31.700 0.054 0.000 0.807 167 T N 0.101 114.602 114.554 -0.089 0.000 2.649 167 T HA -0.233 4.117 4.350 0.001 0.000 0.268 167 T C 1.416 176.118 174.700 0.005 0.000 1.036 167 T CA 1.601 63.683 62.100 -0.031 0.000 1.157 167 T CB -0.997 67.873 68.868 0.002 0.000 0.861 167 T HN 0.128 nan 8.240 nan 0.000 0.445 168 F N 1.029 120.923 119.950 -0.093 0.000 2.074 168 F HA 0.031 4.558 4.527 0.001 0.000 0.293 168 F C 2.178 177.884 175.800 -0.157 0.000 1.116 168 F CA 1.049 58.982 58.000 -0.111 0.000 1.212 168 F CB -0.268 38.673 39.000 -0.097 0.000 0.998 168 F HN 0.032 nan 8.300 nan 0.000 0.471 169 I N 0.045 120.470 120.570 -0.241 0.000 2.118 169 I HA -0.349 3.821 4.170 0.001 0.000 0.241 169 I C 2.207 178.063 176.117 -0.434 0.000 1.070 169 I CA 1.033 62.097 61.300 -0.393 0.000 1.327 169 I CB -0.585 37.285 38.000 -0.217 0.000 1.034 169 I HN 0.204 nan 8.210 nan 0.000 0.405 170 L N 0.749 121.813 121.223 -0.266 0.000 2.191 170 L HA -0.128 4.212 4.340 0.001 0.000 0.212 170 L C 2.464 179.223 176.870 -0.185 0.000 1.103 170 L CA 1.958 56.683 54.840 -0.191 0.000 0.769 170 L CB -1.582 40.438 42.059 -0.064 0.000 0.908 170 L HN 0.248 nan 8.230 nan 0.000 0.438 171 G N -2.484 106.168 108.800 -0.246 0.000 2.464 171 G HA2 -0.158 3.803 3.960 0.001 0.000 0.217 171 G HA3 -0.158 3.803 3.960 0.001 0.000 0.217 171 G C 1.645 176.398 174.900 -0.245 0.000 1.138 171 G CA 0.700 45.678 45.100 -0.202 0.000 0.793 171 G HN 0.433 nan 8.290 nan 0.000 0.539 172 C N 0.911 119.930 119.300 -0.469 0.000 2.446 172 C HA 0.195 4.655 4.460 0.001 0.000 0.277 172 C C 3.490 178.452 174.990 -0.046 0.000 1.275 172 C CA 0.776 59.574 59.018 -0.367 0.000 1.727 172 C CB -0.843 26.300 27.740 -0.995 0.000 2.010 172 C HN 0.561 nan 8.230 nan 0.000 0.486 173 A N 1.770 124.479 122.820 -0.184 0.000 1.873 173 A HA -0.160 4.160 4.320 0.001 0.000 0.218 173 A C 0.175 177.886 177.584 0.212 0.000 1.193 173 A CA 2.224 54.237 52.037 -0.040 0.000 0.629 173 A CB -1.944 16.741 19.000 -0.525 0.000 0.826 173 A HN 0.445 nan 8.150 nan 0.000 0.447 174 P HA -0.111 nan 4.420 nan 0.000 0.216 174 P C 1.878 179.320 177.300 0.236 0.000 1.153 174 P CA 1.268 64.534 63.100 0.276 0.000 0.848 174 P CB -0.233 31.594 31.700 0.211 0.000 0.787 175 C N -0.676 118.782 119.300 0.263 0.000 2.429 175 C HA -0.081 4.380 4.460 0.001 0.000 0.277 175 C C 2.548 177.856 174.990 0.530 0.000 1.262 175 C CA 1.229 60.486 59.018 0.398 0.000 1.733 175 C CB -2.113 25.839 27.740 0.354 0.000 2.010 175 C HN 0.171 nan 8.230 nan 0.000 0.483 176 N N 0.343 119.343 118.700 0.500 0.000 2.244 176 N HA -0.069 4.672 4.740 0.001 0.000 0.183 176 N C 1.686 177.331 175.510 0.224 0.000 1.016 176 N CA 1.359 54.637 53.050 0.380 0.000 0.866 176 N CB -0.276 38.373 38.487 0.271 0.000 0.980 176 N HN 0.433 nan 8.380 nan 0.000 0.430 177 V N 0.799 120.835 119.914 0.203 0.000 2.295 177 V HA -0.202 3.918 4.120 0.001 0.000 0.246 177 V C 2.114 178.201 176.094 -0.012 0.000 1.049 177 V CA 1.173 63.538 62.300 0.109 0.000 1.024 177 V CB -0.331 31.569 31.823 0.129 0.000 0.648 177 V HN 0.168 nan 8.190 nan 0.000 0.447 178 I N -0.614 119.918 120.570 -0.064 0.000 2.286 178 I HA -0.235 3.935 4.170 0.001 0.000 0.248 178 I C 2.518 178.378 176.117 -0.428 0.000 1.115 178 I CA 1.498 62.593 61.300 -0.342 0.000 1.392 178 I CB -0.702 36.940 38.000 -0.597 0.000 1.065 178 I HN 0.308 nan 8.210 nan 0.000 0.418 179 C N -0.950 118.296 119.300 -0.090 0.000 2.413 179 C HA -0.170 4.291 4.460 0.001 0.000 0.276 179 C C 3.245 178.136 174.990 -0.164 0.000 1.248 179 C CA 1.446 60.446 59.018 -0.030 0.000 1.742 179 C CB -1.075 26.977 27.740 0.520 0.000 2.017 179 C HN 0.543 nan 8.230 nan 0.000 0.481 180 S N 0.124 115.793 115.700 -0.052 0.000 2.382 180 S HA -0.046 4.425 4.470 0.001 0.000 0.228 180 S C 1.586 176.161 174.600 -0.041 0.000 1.027 180 S CA 1.227 59.417 58.200 -0.017 0.000 0.991 180 S CB -0.265 62.938 63.200 0.005 0.000 0.823 180 S HN 0.583 nan 8.310 nan 0.000 0.469 181 I N 0.688 121.187 120.570 -0.118 0.000 2.439 181 I HA -0.066 4.105 4.170 0.001 0.000 0.251 181 I C 1.690 177.764 176.117 -0.071 0.000 1.139 181 I CA 1.004 62.240 61.300 -0.107 0.000 1.438 181 I CB -0.096 37.811 38.000 -0.155 0.000 1.085 181 I HN 0.328 nan 8.210 nan 0.000 0.427 182 I N -1.207 119.223 120.570 -0.233 0.000 3.081 182 I HA -0.052 4.119 4.170 0.001 0.000 0.274 182 I C 1.461 177.618 176.117 0.066 0.000 1.178 182 I CA 0.913 62.100 61.300 -0.188 0.000 1.460 182 I CB 0.078 37.767 38.000 -0.519 0.000 1.137 182 I HN 0.078 nan 8.210 nan 0.000 0.443 183 F N -1.054 119.002 119.950 0.177 0.000 2.724 183 F HA 0.220 4.748 4.527 0.001 0.000 0.306 183 F C 1.423 177.412 175.800 0.315 0.000 1.100 183 F CA 0.058 58.205 58.000 0.246 0.000 1.255 183 F CB 0.068 39.179 39.000 0.185 0.000 1.072 183 F HN 0.095 nan 8.300 nan 0.000 0.589 184 H N 0.259 119.466 119.070 0.229 0.000 3.882 184 H HA -0.215 4.341 4.556 0.001 0.000 0.165 184 H C 0.053 175.407 175.328 0.044 0.000 0.896 184 H CA 0.719 56.838 56.048 0.119 0.000 1.243 184 H CB -0.639 29.198 29.762 0.124 0.000 0.958 184 H HN 0.199 nan 8.280 nan 0.000 0.400 185 K N 1.309 121.803 120.400 0.157 0.000 2.463 185 K HA 0.309 4.629 4.320 0.001 0.000 0.255 185 K C -0.276 176.171 176.600 -0.254 0.000 0.942 185 K CA -0.682 55.566 56.287 -0.066 0.000 0.814 185 K CB 1.237 33.650 32.500 -0.146 0.000 1.122 185 K HN 0.326 nan 8.250 nan 0.000 0.425 186 R N 1.958 122.336 120.500 -0.203 0.000 2.637 186 R HA 0.334 4.675 4.340 0.001 0.000 0.269 186 R C -0.854 175.204 176.300 -0.403 0.000 1.089 186 R CA -0.184 55.782 56.100 -0.223 0.000 1.177 186 R CB 0.381 30.621 30.300 -0.101 0.000 1.091 186 R HN 0.198 nan 8.270 nan 0.000 0.540 187 F N -0.767 119.091 119.950 -0.154 0.000 2.541 187 F HA 0.230 4.758 4.527 0.001 0.000 0.331 187 F C 0.258 175.869 175.800 -0.314 0.000 1.057 187 F CA -0.850 57.032 58.000 -0.197 0.000 0.975 187 F CB 1.615 40.479 39.000 -0.227 0.000 1.246 187 F HN 0.640 nan 8.300 nan 0.000 0.484 188 D N -0.099 120.330 120.400 0.047 0.000 2.345 188 D HA 0.048 4.688 4.640 0.001 0.000 0.247 188 D C 0.409 176.739 176.300 0.050 0.000 1.108 188 D CA 0.101 54.068 54.000 -0.056 0.000 0.894 188 D CB 0.508 41.322 40.800 0.025 0.000 1.203 188 D HN 0.523 nan 8.370 nan 0.000 0.430 189 Y N 1.427 121.739 120.300 0.020 0.000 2.736 189 Y HA -0.110 4.440 4.550 0.001 0.000 0.298 189 Y C 1.451 177.562 175.900 0.352 0.000 1.156 189 Y CA -0.211 58.011 58.100 0.204 0.000 1.384 189 Y CB 0.189 38.765 38.460 0.193 0.000 0.976 189 Y HN 0.266 nan 8.280 nan 0.000 0.556 190 K N -0.410 120.215 120.400 0.375 0.000 2.425 190 K HA 0.023 4.343 4.320 0.001 0.000 0.201 190 K C -0.112 176.624 176.600 0.227 0.000 1.128 190 K CA -0.005 56.450 56.287 0.279 0.000 1.000 190 K CB 0.221 32.831 32.500 0.183 0.000 0.961 190 K HN -0.012 nan 8.250 nan 0.000 0.555 191 D N 0.930 121.471 120.400 0.235 0.000 2.531 191 D HA -0.110 4.530 4.640 0.001 0.000 0.239 191 D C 0.880 177.256 176.300 0.127 0.000 1.144 191 D CA 0.476 54.578 54.000 0.170 0.000 0.869 191 D CB 1.238 42.156 40.800 0.196 0.000 1.160 191 D HN -0.038 nan 8.370 nan 0.000 0.484 192 Q N 3.133 122.969 119.800 0.060 0.000 2.135 192 Q HA -0.218 4.122 4.340 0.001 0.000 0.204 192 Q C 1.870 177.830 176.000 -0.067 0.000 0.981 192 Q CA 1.726 57.534 55.803 0.009 0.000 0.856 192 Q CB 0.013 28.755 28.738 0.007 0.000 0.902 192 Q HN 0.603 nan 8.270 nan 0.000 0.425 193 Q N -1.163 118.566 119.800 -0.118 0.000 2.077 193 Q HA -0.211 4.130 4.340 0.001 0.000 0.206 193 Q C 1.904 177.675 176.000 -0.381 0.000 0.989 193 Q CA 1.751 57.387 55.803 -0.278 0.000 0.853 193 Q CB -0.353 28.206 28.738 -0.299 0.000 0.907 193 Q HN 0.491 nan 8.270 nan 0.000 0.418 194 F N 0.805 120.437 119.950 -0.530 0.000 2.075 194 F HA -0.228 4.299 4.527 0.001 0.000 0.297 194 F C 1.883 177.586 175.800 -0.162 0.000 1.113 194 F CA 1.046 58.825 58.000 -0.368 0.000 1.218 194 F CB 0.037 38.917 39.000 -0.199 0.000 0.984 194 F HN -0.021 nan 8.300 nan 0.000 0.472 195 L N 0.389 121.506 121.223 -0.177 0.000 2.131 195 L HA -0.258 4.082 4.340 0.001 0.000 0.210 195 L C 1.905 178.625 176.870 -0.250 0.000 1.092 195 L CA 1.847 56.564 54.840 -0.205 0.000 0.759 195 L CB -0.905 41.130 42.059 -0.041 0.000 0.903 195 L HN 0.228 nan 8.230 nan 0.000 0.435 196 N N -0.389 118.163 118.700 -0.246 0.000 2.142 196 N HA -0.193 4.547 4.740 0.001 0.000 0.186 196 N C 1.776 177.068 175.510 -0.363 0.000 1.023 196 N CA 0.721 53.602 53.050 -0.282 0.000 0.852 196 N CB -0.112 38.277 38.487 -0.163 0.000 0.998 196 N HN 0.132 nan 8.380 nan 0.000 0.424 197 L N 0.846 121.845 121.223 -0.373 0.000 2.046 197 L HA -0.035 4.306 4.340 0.001 0.000 0.208 197 L C 2.208 178.873 176.870 -0.342 0.000 1.077 197 L CA 1.487 56.110 54.840 -0.362 0.000 0.747 197 L CB -0.534 41.304 42.059 -0.367 0.000 0.896 197 L HN 0.142 nan 8.230 nan 0.000 0.432 198 M N -0.312 119.041 119.600 -0.412 0.000 2.086 198 M HA -0.213 4.268 4.480 0.001 0.000 0.261 198 M C 2.246 178.414 176.300 -0.221 0.000 1.067 198 M CA 1.941 57.026 55.300 -0.357 0.000 1.116 198 M CB -0.445 31.866 32.600 -0.481 0.000 1.348 198 M HN 0.444 nan 8.290 nan 0.000 0.407 199 E N -0.388 119.675 120.200 -0.228 0.000 2.058 199 E HA -0.256 4.095 4.350 0.001 0.000 0.194 199 E C 1.756 178.234 176.600 -0.204 0.000 0.997 199 E CA 1.326 57.608 56.400 -0.196 0.000 0.801 199 E CB 0.070 29.630 29.700 -0.233 0.000 0.746 199 E HN 0.344 nan 8.360 nan 0.000 0.450 200 K N 0.351 120.588 120.400 -0.271 0.000 2.057 200 K HA -0.116 4.204 4.320 0.001 0.000 0.206 200 K C 2.349 178.868 176.600 -0.135 0.000 1.050 200 K CA 0.810 56.952 56.287 -0.243 0.000 0.935 200 K CB -0.436 31.880 32.500 -0.307 0.000 0.715 200 K HN 0.286 nan 8.250 nan 0.000 0.439 201 L N 0.937 122.088 121.223 -0.120 0.000 2.046 201 L HA -0.196 4.144 4.340 0.001 0.000 0.208 201 L C 1.929 178.777 176.870 -0.036 0.000 1.077 201 L CA 1.387 56.196 54.840 -0.052 0.000 0.747 201 L CB -0.492 41.546 42.059 -0.035 0.000 0.896 201 L HN 0.292 nan 8.230 nan 0.000 0.432 202 N N -0.769 117.897 118.700 -0.057 0.000 2.270 202 N HA -0.188 4.553 4.740 0.001 0.000 0.181 202 N C 1.769 177.261 175.510 -0.030 0.000 1.016 202 N CA 0.616 53.647 53.050 -0.033 0.000 0.870 202 N CB 0.060 38.529 38.487 -0.030 0.000 0.979 202 N HN 0.327 nan 8.380 nan 0.000 0.431 203 E N 1.196 121.364 120.200 -0.054 0.000 2.047 203 E HA -0.130 4.220 4.350 0.001 0.000 0.191 203 E C 1.330 177.917 176.600 -0.021 0.000 0.987 203 E CA 0.972 57.345 56.400 -0.045 0.000 0.799 203 E CB 0.041 29.694 29.700 -0.079 0.000 0.752 203 E HN 0.395 nan 8.360 nan 0.000 0.449 204 N N -0.005 118.682 118.700 -0.022 0.000 2.205 204 N HA -0.161 4.579 4.740 0.001 0.000 0.186 204 N C 1.916 177.434 175.510 0.014 0.000 1.015 204 N CA 0.884 53.934 53.050 -0.000 0.000 0.862 204 N CB -0.046 38.445 38.487 0.006 0.000 0.986 204 N HN 0.158 nan 8.380 nan 0.000 0.429 205 I N 1.030 121.608 120.570 0.013 0.000 2.233 205 I HA -0.232 3.939 4.170 0.001 0.000 0.243 205 I C 2.570 178.699 176.117 0.019 0.000 1.093 205 I CA 1.007 62.320 61.300 0.021 0.000 1.380 205 I CB -0.234 37.780 38.000 0.023 0.000 1.067 205 I HN 0.180 nan 8.210 nan 0.000 0.413 206 E N 1.759 121.970 120.200 0.017 0.000 2.085 206 E HA -0.246 4.105 4.350 0.001 0.000 0.194 206 E C 2.178 178.798 176.600 0.034 0.000 0.994 206 E CA 1.689 58.104 56.400 0.026 0.000 0.801 206 E CB -0.200 29.514 29.700 0.022 0.000 0.743 206 E HN 0.481 nan 8.360 nan 0.000 0.453 207 I N 0.489 121.076 120.570 0.028 0.000 2.163 207 I HA -0.245 3.925 4.170 0.001 0.000 0.240 207 I C 2.334 178.438 176.117 -0.022 0.000 1.081 207 I CA 0.974 62.290 61.300 0.026 0.000 1.353 207 I CB -0.170 37.847 38.000 0.029 0.000 1.054 207 I HN 0.198 nan 8.210 nan 0.000 0.407 208 L N 0.403 121.618 121.223 -0.013 0.000 2.456 208 L HA -0.121 4.220 4.340 0.001 0.000 0.224 208 L C 2.193 179.046 176.870 -0.030 0.000 1.148 208 L CA 1.012 55.837 54.840 -0.024 0.000 0.825 208 L CB -0.484 41.581 42.059 0.010 0.000 0.937 208 L HN 0.348 nan 8.230 nan 0.000 0.450 209 S N -2.181 113.511 115.700 -0.013 0.000 2.577 209 S HA 0.045 4.516 4.470 0.001 0.000 0.219 209 S C 0.854 175.452 174.600 -0.003 0.000 0.962 209 S CA -0.284 57.913 58.200 -0.004 0.000 0.921 209 S CB -0.122 63.089 63.200 0.017 0.000 0.789 209 S HN 0.310 nan 8.310 nan 0.000 0.497 210 S N 1.793 117.478 115.700 -0.025 0.000 2.465 210 S HA 0.432 4.902 4.470 0.001 0.000 0.279 210 S C -1.731 172.831 174.600 -0.063 0.000 1.201 210 S CA -1.152 57.067 58.200 0.033 0.000 1.053 210 S CB 1.106 64.397 63.200 0.151 0.000 0.953 210 S HN -0.041 nan 8.310 nan 0.000 0.488 211 P HA -0.176 nan 4.420 nan 0.000 0.220 211 P C 1.531 178.836 177.300 0.007 0.000 1.155 211 P CA 1.710 64.822 63.100 0.021 0.000 0.880 211 P CB -0.206 31.535 31.700 0.068 0.000 0.790 212 W N -1.306 119.960 121.300 -0.058 0.000 2.611 212 W HA -0.056 4.605 4.660 0.001 0.000 0.251 212 W C 1.191 177.645 176.519 -0.108 0.000 1.265 212 W CA 0.266 57.554 57.345 -0.096 0.000 1.295 212 W CB -1.544 27.842 29.460 -0.123 0.000 1.129 212 W HN -0.077 nan 8.180 nan 0.000 0.630 213 I N 1.936 122.091 120.570 -0.691 0.000 2.194 213 I HA -0.324 3.846 4.170 0.001 0.000 0.246 213 I C 2.528 178.547 176.117 -0.164 0.000 1.093 213 I CA 1.770 62.764 61.300 -0.510 0.000 1.355 213 I CB -1.173 36.641 38.000 -0.310 0.000 1.046 213 I HN 0.055 nan 8.210 nan 0.000 0.413 214 Q N 0.338 120.064 119.800 -0.122 0.000 2.217 214 Q HA -0.168 4.173 4.340 0.001 0.000 0.209 214 Q C 2.256 178.241 176.000 -0.024 0.000 0.988 214 Q CA 1.203 56.976 55.803 -0.049 0.000 0.878 214 Q CB -0.620 28.078 28.738 -0.066 0.000 0.909 214 Q HN 0.375 nan 8.270 nan 0.000 0.424 215 V N -0.287 119.603 119.914 -0.041 0.000 2.392 215 V HA -0.287 3.834 4.120 0.001 0.000 0.249 215 V C 1.584 177.705 176.094 0.045 0.000 1.059 215 V CA 1.798 64.100 62.300 0.003 0.000 1.051 215 V CB -0.679 31.178 31.823 0.058 0.000 0.658 215 V HN 0.368 nan 8.190 nan 0.000 0.455 216 Y N 0.654 120.997 120.300 0.071 0.000 2.242 216 Y HA -0.106 4.445 4.550 0.001 0.000 0.291 216 Y C 2.499 178.433 175.900 0.056 0.000 1.137 216 Y CA 1.107 59.256 58.100 0.082 0.000 1.181 216 Y CB -0.661 37.809 38.460 0.017 0.000 0.989 216 Y HN 0.323 nan 8.280 nan 0.000 0.527 217 N N 0.066 118.883 118.700 0.196 0.000 2.331 217 N HA -0.118 4.622 4.740 0.001 0.000 0.180 217 N C 1.126 176.730 175.510 0.157 0.000 1.019 217 N CA 1.105 54.269 53.050 0.190 0.000 0.881 217 N CB -0.390 38.173 38.487 0.126 0.000 0.972 217 N HN 0.470 nan 8.380 nan 0.000 0.435 218 N N -0.724 117.929 118.700 -0.078 0.000 2.368 218 N HA 0.095 4.835 4.740 0.001 0.000 0.176 218 N C -0.489 174.675 175.510 -0.576 0.000 1.021 218 N CA 0.525 53.316 53.050 -0.432 0.000 0.888 218 N CB 0.256 38.168 38.487 -0.959 0.000 0.995 218 N HN 0.103 nan 8.380 nan 0.000 0.437 219 F N -0.628 119.432 119.950 0.183 0.000 2.686 219 F HA 0.388 4.916 4.527 0.001 0.000 0.365 219 F C -1.984 173.929 175.800 0.189 0.000 1.196 219 F CA -1.995 56.096 58.000 0.152 0.000 1.198 219 F CB 1.987 41.053 39.000 0.110 0.000 1.454 219 F HN -0.165 nan 8.300 nan 0.000 0.539 220 P HA -0.233 nan 4.420 nan 0.000 0.218 220 P C 1.621 179.048 177.300 0.212 0.000 1.146 220 P CA 1.368 64.597 63.100 0.214 0.000 0.813 220 P CB 0.280 32.067 31.700 0.146 0.000 0.778 221 A N -0.487 122.462 122.820 0.215 0.000 2.019 221 A HA -0.129 4.192 4.320 0.001 0.000 0.219 221 A C 2.049 179.767 177.584 0.224 0.000 1.164 221 A CA 1.075 53.216 52.037 0.174 0.000 0.644 221 A CB -1.515 17.536 19.000 0.085 0.000 0.805 221 A HN 0.157 nan 8.150 nan 0.000 0.449 222 L N -0.616 120.791 121.223 0.307 0.000 2.456 222 L HA -0.110 4.231 4.340 0.001 0.000 0.224 222 L C 2.173 179.428 176.870 0.643 0.000 1.148 222 L CA 0.415 55.543 54.840 0.480 0.000 0.825 222 L CB -0.498 41.896 42.059 0.558 0.000 0.937 222 L HN 0.416 nan 8.230 nan 0.000 0.450 223 L N -0.622 120.830 121.223 0.381 0.000 2.109 223 L HA -0.182 4.159 4.340 0.001 0.000 0.207 223 L C 2.127 179.071 176.870 0.124 0.000 1.086 223 L CA 1.073 55.945 54.840 0.054 0.000 0.760 223 L CB -0.419 41.516 42.059 -0.206 0.000 0.910 223 L HN 0.280 nan 8.230 nan 0.000 0.437 224 D N -0.910 119.617 120.400 0.212 0.000 2.183 224 D HA -0.165 4.475 4.640 0.001 0.000 0.203 224 D C 2.008 178.381 176.300 0.122 0.000 0.969 224 D CA 1.342 55.449 54.000 0.179 0.000 0.842 224 D CB 0.092 41.010 40.800 0.196 0.000 0.957 224 D HN 0.326 nan 8.370 nan 0.000 0.484 225 Y N -0.470 119.809 120.300 -0.036 0.000 2.314 225 Y HA 0.060 4.610 4.550 0.001 0.000 0.294 225 Y C 0.855 176.443 175.900 -0.519 0.000 1.119 225 Y CA 0.465 58.367 58.100 -0.329 0.000 1.179 225 Y CB -0.028 38.136 38.460 -0.493 0.000 1.025 225 Y HN -0.168 nan 8.280 nan 0.000 0.541 226 F N 1.359 121.552 119.950 0.405 0.000 2.449 226 F HA 0.369 4.896 4.527 0.001 0.000 0.344 226 F C -1.967 174.063 175.800 0.383 0.000 1.180 226 F CA -2.149 56.081 58.000 0.384 0.000 1.209 226 F CB 0.984 40.264 39.000 0.468 0.000 1.440 226 F HN -0.129 nan 8.300 nan 0.000 0.526 227 P HA 0.042 nan 4.420 nan 0.000 0.249 227 P C 1.610 179.119 177.300 0.348 0.000 1.229 227 P CA 0.557 63.907 63.100 0.416 0.000 0.788 227 P CB 0.434 32.331 31.700 0.330 0.000 1.072 228 G N 0.983 109.975 108.800 0.321 0.000 2.513 228 G HA2 -0.193 3.768 3.960 0.001 0.000 0.219 228 G HA3 -0.193 3.768 3.960 0.001 0.000 0.219 228 G C 0.595 175.635 174.900 0.232 0.000 1.160 228 G CA 0.908 46.155 45.100 0.244 0.000 0.767 228 G HN 0.282 nan 8.290 nan 0.000 0.571 229 T N 0.851 115.607 114.554 0.336 0.000 2.749 229 T HA 0.437 4.787 4.350 0.001 0.000 0.295 229 T C 0.674 175.511 174.700 0.228 0.000 0.936 229 T CA 0.704 62.948 62.100 0.240 0.000 1.060 229 T CB 0.813 69.845 68.868 0.273 0.000 0.904 229 T HN 0.782 nan 8.240 nan 0.000 0.500 230 H N 2.512 121.559 119.070 -0.038 0.000 4.500 230 H HA -0.154 4.402 4.556 0.001 0.000 0.104 230 H C 0.453 175.759 175.328 -0.037 0.000 0.618 230 H CA 0.994 57.000 56.048 -0.069 0.000 1.052 230 H CB -1.442 28.239 29.762 -0.134 0.000 0.431 230 H HN 0.502 nan 8.280 nan 0.000 0.763 231 N N 1.825 120.288 118.700 -0.396 0.000 2.216 231 N HA -0.035 4.705 4.740 0.001 0.000 0.183 231 N C 1.955 177.382 175.510 -0.140 0.000 1.017 231 N CA 1.860 54.699 53.050 -0.351 0.000 0.861 231 N CB -0.154 38.196 38.487 -0.229 0.000 0.986 231 N HN 0.521 nan 8.380 nan 0.000 0.428 232 K N 1.138 121.503 120.400 -0.058 0.000 2.062 232 K HA 0.099 4.420 4.320 0.001 0.000 0.205 232 K C 1.896 178.480 176.600 -0.026 0.000 1.051 232 K CA 0.815 57.090 56.287 -0.021 0.000 0.941 232 K CB -0.337 32.176 32.500 0.021 0.000 0.719 232 K HN 0.091 nan 8.250 nan 0.000 0.440 233 L N 0.195 121.407 121.223 -0.019 0.000 2.056 233 L HA -0.099 4.242 4.340 0.001 0.000 0.207 233 L C 2.314 179.162 176.870 -0.036 0.000 1.078 233 L CA 0.920 55.751 54.840 -0.016 0.000 0.749 233 L CB -0.380 41.682 42.059 0.006 0.000 0.901 233 L HN 0.139 nan 8.230 nan 0.000 0.433 234 L N -0.314 120.872 121.223 -0.062 0.000 2.083 234 L HA -0.225 4.115 4.340 0.001 0.000 0.209 234 L C 2.761 179.601 176.870 -0.049 0.000 1.083 234 L CA 1.277 56.071 54.840 -0.076 0.000 0.752 234 L CB -0.426 41.564 42.059 -0.115 0.000 0.899 234 L HN 0.232 nan 8.230 nan 0.000 0.433 235 K N 0.430 120.806 120.400 -0.041 0.000 2.002 235 K HA -0.185 4.136 4.320 0.001 0.000 0.209 235 K C 1.793 178.414 176.600 0.035 0.000 1.048 235 K CA 1.856 58.140 56.287 -0.005 0.000 0.930 235 K CB -0.141 32.351 32.500 -0.013 0.000 0.714 235 K HN 0.434 nan 8.250 nan 0.000 0.438 236 N N -0.072 118.629 118.700 0.002 0.000 2.149 236 N HA -0.157 4.583 4.740 0.001 0.000 0.188 236 N C 1.769 177.309 175.510 0.050 0.000 1.019 236 N CA 1.070 54.116 53.050 -0.006 0.000 0.857 236 N CB 0.065 38.519 38.487 -0.054 0.000 0.997 236 N HN -0.027 nan 8.380 nan 0.000 0.426 237 V N 1.306 121.234 119.914 0.024 0.000 2.358 237 V HA -0.166 3.954 4.120 0.001 0.000 0.246 237 V C 2.342 178.466 176.094 0.050 0.000 1.047 237 V CA 1.749 64.062 62.300 0.023 0.000 1.035 237 V CB -0.711 31.091 31.823 -0.036 0.000 0.658 237 V HN 0.328 nan 8.190 nan 0.000 0.452 238 A N -0.503 122.342 122.820 0.043 0.000 1.933 238 A HA -0.227 4.094 4.320 0.001 0.000 0.218 238 A C 2.091 179.723 177.584 0.080 0.000 1.175 238 A CA 1.878 53.937 52.037 0.037 0.000 0.628 238 A CB -0.669 18.340 19.000 0.015 0.000 0.814 238 A HN 0.525 nan 8.150 nan 0.000 0.444 239 F N 0.396 120.332 119.950 -0.024 0.000 2.102 239 F HA -0.170 4.357 4.527 0.001 0.000 0.298 239 F C 2.296 178.107 175.800 0.019 0.000 1.105 239 F CA 2.119 60.108 58.000 -0.017 0.000 1.239 239 F CB -0.312 38.659 39.000 -0.049 0.000 0.991 239 F HN 0.154 nan 8.300 nan 0.000 0.474 240 M N -0.033 119.777 119.600 0.350 0.000 2.159 240 M HA -0.205 4.276 4.480 0.001 0.000 0.263 240 M C 2.136 178.545 176.300 0.181 0.000 1.063 240 M CA 1.678 57.139 55.300 0.269 0.000 1.110 240 M CB -0.478 32.220 32.600 0.163 0.000 1.374 240 M HN 0.048 nan 8.290 nan 0.000 0.411 241 K N -0.351 120.109 120.400 0.101 0.000 2.026 241 K HA -0.108 4.213 4.320 0.001 0.000 0.208 241 K C 2.257 178.867 176.600 0.016 0.000 1.048 241 K CA 1.498 57.817 56.287 0.053 0.000 0.929 241 K CB -0.294 32.215 32.500 0.015 0.000 0.713 241 K HN 0.133 nan 8.250 nan 0.000 0.439 242 S N 0.019 115.707 115.700 -0.020 0.000 2.399 242 S HA -0.160 4.311 4.470 0.001 0.000 0.231 242 S C 1.725 176.282 174.600 -0.073 0.000 1.022 242 S CA 0.915 59.074 58.200 -0.069 0.000 0.983 242 S CB -0.242 62.886 63.200 -0.121 0.000 0.803 242 S HN 0.361 nan 8.310 nan 0.000 0.480 243 Y N 1.410 121.594 120.300 -0.192 0.000 2.314 243 Y HA 0.112 4.663 4.550 0.001 0.000 0.293 243 Y C 1.657 177.510 175.900 -0.077 0.000 1.129 243 Y CA 1.080 59.072 58.100 -0.179 0.000 1.201 243 Y CB -0.251 38.096 38.460 -0.188 0.000 0.999 243 Y HN 0.252 nan 8.280 nan 0.000 0.541 244 I N -0.358 120.125 120.570 -0.146 0.000 2.500 244 I HA -0.224 3.947 4.170 0.001 0.000 0.252 244 I C 2.465 178.506 176.117 -0.127 0.000 1.142 244 I CA 0.564 61.795 61.300 -0.115 0.000 1.451 244 I CB -0.234 37.847 38.000 0.135 0.000 1.093 244 I HN 0.281 nan 8.210 nan 0.000 0.430 245 L N 0.793 121.960 121.223 -0.095 0.000 2.083 245 L HA -0.221 4.120 4.340 0.001 0.000 0.209 245 L C 2.342 179.153 176.870 -0.097 0.000 1.083 245 L CA 1.831 56.628 54.840 -0.072 0.000 0.752 245 L CB -0.306 41.721 42.059 -0.053 0.000 0.899 245 L HN 0.337 nan 8.230 nan 0.000 0.433 246 E N -0.359 119.748 120.200 -0.155 0.000 2.058 246 E HA -0.242 4.108 4.350 0.001 0.000 0.194 246 E C 2.099 178.604 176.600 -0.158 0.000 0.997 246 E CA 1.196 57.504 56.400 -0.154 0.000 0.801 246 E CB 0.205 29.782 29.700 -0.205 0.000 0.746 246 E HN 0.322 nan 8.360 nan 0.000 0.450 247 K N 0.168 120.404 120.400 -0.274 0.000 2.057 247 K HA -0.122 4.199 4.320 0.001 0.000 0.207 247 K C 2.331 178.894 176.600 -0.061 0.000 1.049 247 K CA 1.296 57.440 56.287 -0.238 0.000 0.931 247 K CB -0.824 31.362 32.500 -0.523 0.000 0.714 247 K HN 0.255 nan 8.250 nan 0.000 0.440 248 V N -0.449 119.420 119.914 -0.075 0.000 2.515 248 V HA -0.139 3.981 4.120 0.001 0.000 0.250 248 V C 2.008 178.145 176.094 0.072 0.000 1.058 248 V CA 1.415 63.711 62.300 -0.008 0.000 1.064 248 V CB -0.405 31.415 31.823 -0.006 0.000 0.675 248 V HN 0.138 nan 8.190 nan 0.000 0.461 249 K N 0.181 120.602 120.400 0.034 0.000 2.103 249 K HA -0.082 4.239 4.320 0.001 0.000 0.204 249 K C 2.233 178.871 176.600 0.063 0.000 1.052 249 K CA 1.797 58.108 56.287 0.039 0.000 0.945 249 K CB -0.156 32.347 32.500 0.006 0.000 0.722 249 K HN 0.641 nan 8.250 nan 0.000 0.443 250 E N -0.344 119.906 120.200 0.083 0.000 2.150 250 E HA -0.161 4.190 4.350 0.001 0.000 0.193 250 E C 1.733 178.398 176.600 0.108 0.000 0.985 250 E CA 1.008 57.458 56.400 0.083 0.000 0.814 250 E CB -0.011 29.737 29.700 0.079 0.000 0.752 250 E HN 0.369 nan 8.360 nan 0.000 0.466 251 H N 0.416 119.504 119.070 0.029 0.000 2.470 251 H HA 0.022 4.579 4.556 0.001 0.000 0.289 251 H C 1.737 177.098 175.328 0.054 0.000 1.033 251 H CA 0.922 57.006 56.048 0.059 0.000 1.331 251 H CB 0.147 29.967 29.762 0.097 0.000 1.414 251 H HN 0.119 nan 8.280 nan 0.000 0.545 252 Q N -0.163 119.733 119.800 0.160 0.000 2.297 252 Q HA -0.116 4.224 4.340 0.001 0.000 0.204 252 Q C 1.939 177.976 176.000 0.062 0.000 0.962 252 Q CA 0.912 56.775 55.803 0.100 0.000 0.879 252 Q CB 0.351 29.136 28.738 0.078 0.000 0.947 252 Q HN 0.569 nan 8.270 nan 0.000 0.462 253 E N 0.458 120.687 120.200 0.049 0.000 2.030 253 E HA -0.100 4.250 4.350 0.001 0.000 0.189 253 E C 1.414 178.021 176.600 0.011 0.000 0.974 253 E CA 1.193 57.608 56.400 0.024 0.000 0.807 253 E CB 0.105 29.815 29.700 0.016 0.000 0.771 253 E HN 0.248 nan 8.360 nan 0.000 0.451 254 S N 0.319 116.015 115.700 -0.007 0.000 2.851 254 S HA 0.104 4.575 4.470 0.001 0.000 0.227 254 S C 0.790 175.376 174.600 -0.023 0.000 0.958 254 S CA -0.214 57.967 58.200 -0.032 0.000 0.990 254 S CB -0.293 62.863 63.200 -0.073 0.000 0.790 254 S HN 0.158 nan 8.310 nan 0.000 0.509 255 M N 2.981 122.589 119.600 0.013 0.000 2.084 255 M HA 0.224 4.704 4.480 0.001 0.000 0.351 255 M C -0.912 175.404 176.300 0.028 0.000 1.240 255 M CA -0.173 55.148 55.300 0.034 0.000 1.083 255 M CB 0.872 33.514 32.600 0.069 0.000 1.593 255 M HN 0.129 nan 8.290 nan 0.000 0.463 256 D N 6.743 127.160 120.400 0.028 0.000 2.443 256 D HA 0.241 4.882 4.640 0.001 0.000 0.221 256 D C -0.257 176.060 176.300 0.029 0.000 1.097 256 D CA -0.168 53.846 54.000 0.024 0.000 0.865 256 D CB 0.685 41.498 40.800 0.022 0.000 1.034 256 D HN 0.553 nan 8.370 nan 0.000 0.511 257 M N 2.916 122.530 119.600 0.024 0.000 2.248 257 M HA 0.057 4.538 4.480 0.001 0.000 0.337 257 M C 1.038 177.346 176.300 0.014 0.000 1.121 257 M CA 0.209 55.520 55.300 0.019 0.000 1.155 257 M CB 0.659 33.266 32.600 0.011 0.000 1.514 257 M HN 0.454 nan 8.290 nan 0.000 0.452 258 N N 0.371 119.078 118.700 0.011 0.000 2.900 258 N HA -0.154 4.586 4.740 0.001 0.000 0.182 258 N C -0.372 175.146 175.510 0.014 0.000 1.439 258 N CA 0.776 53.831 53.050 0.008 0.000 1.810 258 N CB -0.673 37.818 38.487 0.007 0.000 0.985 258 N HN 0.677 nan 8.380 nan 0.000 0.579 259 N N 1.528 120.241 118.700 0.023 0.000 2.757 259 N HA 0.255 4.996 4.740 0.001 0.000 0.296 259 N C -2.797 172.740 175.510 0.045 0.000 1.874 259 N CA -0.512 52.557 53.050 0.032 0.000 0.885 259 N CB 1.514 40.021 38.487 0.033 0.000 1.242 259 N HN 0.289 nan 8.380 nan 0.000 0.488 260 P HA 0.112 nan 4.420 nan 0.000 0.271 260 P C 0.034 177.360 177.300 0.044 0.000 1.216 260 P CA 0.161 63.294 63.100 0.054 0.000 0.771 260 P CB 1.545 33.268 31.700 0.039 0.000 0.864 261 Q N 0.882 120.721 119.800 0.066 0.000 2.211 261 Q HA 0.124 4.464 4.340 0.001 0.000 0.242 261 Q C -0.198 175.735 176.000 -0.112 0.000 0.825 261 Q CA 0.196 55.980 55.803 -0.030 0.000 0.951 261 Q CB 0.813 29.648 28.738 0.163 0.000 1.130 261 Q HN 0.643 nan 8.270 nan 0.000 0.496 262 D N -2.143 118.298 120.400 0.069 0.000 2.759 262 D HA 0.047 4.687 4.640 0.001 0.000 0.321 262 D C 0.049 176.461 176.300 0.187 0.000 1.267 262 D CA -0.811 53.261 54.000 0.119 0.000 0.933 262 D CB -0.236 40.704 40.800 0.234 0.000 1.431 262 D HN -0.172 nan 8.370 nan 0.000 0.504 263 F N 0.173 120.165 119.950 0.070 0.000 2.161 263 F HA 0.024 4.552 4.527 0.001 0.000 0.300 263 F C 1.824 177.774 175.800 0.251 0.000 1.089 263 F CA 1.463 59.540 58.000 0.129 0.000 1.282 263 F CB -0.118 38.917 39.000 0.058 0.000 1.010 263 F HN 0.332 nan 8.300 nan 0.000 0.485 264 I N -0.133 120.642 120.570 0.342 0.000 2.163 264 I HA -0.303 3.867 4.170 0.001 0.000 0.240 264 I C 2.067 178.338 176.117 0.256 0.000 1.081 264 I CA 1.471 62.916 61.300 0.242 0.000 1.353 264 I CB -0.624 37.365 38.000 -0.019 0.000 1.054 264 I HN 0.037 nan 8.210 nan 0.000 0.407 265 D N 0.673 121.247 120.400 0.289 0.000 2.116 265 D HA -0.195 4.445 4.640 0.001 0.000 0.193 265 D C 2.279 178.672 176.300 0.154 0.000 0.998 265 D CA 1.455 55.593 54.000 0.230 0.000 0.836 265 D CB -0.493 40.428 40.800 0.202 0.000 0.951 265 D HN 0.392 nan 8.370 nan 0.000 0.449 266 C N -0.015 119.369 119.300 0.140 0.000 2.440 266 C HA -0.095 4.366 4.460 0.001 0.000 0.278 266 C C 2.527 177.624 174.990 0.179 0.000 1.295 266 C CA -0.171 58.930 59.018 0.137 0.000 1.738 266 C CB -1.288 26.494 27.740 0.070 0.000 1.987 266 C HN 0.245 nan 8.230 nan 0.000 0.492 267 F N 0.874 120.840 119.950 0.028 0.000 2.113 267 F HA -0.098 4.429 4.527 0.001 0.000 0.297 267 F C 2.141 177.841 175.800 -0.167 0.000 1.103 267 F CA 1.326 59.201 58.000 -0.210 0.000 1.248 267 F CB -0.281 38.653 39.000 -0.111 0.000 0.999 267 F HN 0.009 nan 8.300 nan 0.000 0.475 268 L N 0.464 121.809 121.223 0.204 0.000 2.012 268 L HA -0.257 4.084 4.340 0.001 0.000 0.210 268 L C 2.481 179.350 176.870 -0.002 0.000 1.073 268 L CA 2.311 57.226 54.840 0.125 0.000 0.748 268 L CB -1.329 40.818 42.059 0.146 0.000 0.891 268 L HN 0.377 nan 8.230 nan 0.000 0.431 269 M N -2.173 117.415 119.600 -0.021 0.000 2.562 269 M HA -0.089 4.392 4.480 0.001 0.000 0.257 269 M C 1.867 178.070 176.300 -0.162 0.000 1.099 269 M CA 1.352 56.615 55.300 -0.060 0.000 1.099 269 M CB -0.158 32.430 32.600 -0.020 0.000 1.427 269 M HN -0.038 nan 8.290 nan 0.000 0.489 270 K N 1.383 121.592 120.400 -0.318 0.000 2.243 270 K HA 0.170 4.490 4.320 0.001 0.000 0.201 270 K C 1.607 177.871 176.600 -0.559 0.000 1.051 270 K CA 1.316 57.262 56.287 -0.568 0.000 0.970 270 K CB -0.320 31.513 32.500 -1.111 0.000 0.755 270 K HN 0.469 nan 8.250 nan 0.000 0.465 271 M N 0.000 119.359 119.600 -0.402 0.000 2.229 271 M HA -0.070 4.410 4.480 0.001 0.000 0.264 271 M C 1.576 177.800 176.300 -0.127 0.000 1.063 271 M CA 1.394 56.566 55.300 -0.214 0.000 1.114 271 M CB -0.036 32.529 32.600 -0.060 0.000 1.387 271 M HN 0.074 nan 8.290 nan 0.000 0.420 272 E N 0.657 120.790 120.200 -0.111 0.000 2.158 272 E HA -0.078 4.272 4.350 0.001 0.000 0.191 272 E C 1.648 178.214 176.600 -0.058 0.000 0.982 272 E CA 1.121 57.486 56.400 -0.058 0.000 0.823 272 E CB 0.118 29.796 29.700 -0.036 0.000 0.766 272 E HN 0.278 nan 8.360 nan 0.000 0.468 273 K N 0.114 120.447 120.400 -0.112 0.000 2.288 273 K HA -0.036 4.285 4.320 0.001 0.000 0.201 273 K C 1.064 177.615 176.600 -0.082 0.000 1.048 273 K CA 0.881 57.108 56.287 -0.101 0.000 0.956 273 K CB 0.209 32.616 32.500 -0.154 0.000 0.746 273 K HN 0.090 nan 8.250 nan 0.000 0.461 274 E N 0.271 120.405 120.200 -0.110 0.000 2.476 274 E HA -0.043 4.307 4.350 0.001 0.000 0.196 274 E C 1.185 177.768 176.600 -0.028 0.000 1.029 274 E CA 0.126 56.485 56.400 -0.068 0.000 0.896 274 E CB 0.637 30.279 29.700 -0.096 0.000 1.012 274 E HN 0.074 nan 8.360 nan 0.000 0.475 275 K N 0.646 121.032 120.400 -0.023 0.000 2.211 275 K HA -0.159 4.161 4.320 0.001 0.000 0.204 275 K C 1.569 178.065 176.600 -0.174 0.000 1.047 275 K CA 1.342 57.588 56.287 -0.068 0.000 0.935 275 K CB -0.019 32.458 32.500 -0.039 0.000 0.728 275 K HN 0.172 nan 8.250 nan 0.000 0.452 276 H N -0.715 118.343 119.070 -0.020 0.000 2.648 276 H HA 0.167 4.724 4.556 0.001 0.000 0.265 276 H C -0.311 175.012 175.328 -0.009 0.000 0.961 276 H CA 0.064 56.104 56.048 -0.013 0.000 1.185 276 H CB 0.404 30.157 29.762 -0.016 0.000 1.449 276 H HN 0.198 nan 8.280 nan 0.000 0.523 277 N N 1.269 120.009 118.700 0.066 0.000 2.404 277 N HA 0.334 5.074 4.740 0.001 0.000 0.297 277 N C -0.324 175.192 175.510 0.010 0.000 1.163 277 N CA -0.376 52.697 53.050 0.039 0.000 0.864 277 N CB 2.899 41.407 38.487 0.035 0.000 1.247 277 N HN 0.204 nan 8.380 nan 0.000 0.510 278 Q N -0.677 119.131 119.800 0.013 0.000 3.045 278 Q HA 0.118 4.459 4.340 0.001 0.000 0.293 278 Q C -2.881 173.122 176.000 0.005 0.000 0.907 278 Q CA -0.861 54.944 55.803 0.002 0.000 0.838 278 Q CB -0.289 28.432 28.738 -0.028 0.000 1.776 278 Q HN 0.460 nan 8.270 nan 0.000 0.545 279 P HA -0.082 nan 4.420 nan 0.000 0.274 279 P C -1.007 176.307 177.300 0.024 0.000 1.159 279 P CA 0.930 64.039 63.100 0.015 0.000 0.759 279 P CB 0.112 31.820 31.700 0.015 0.000 0.744 280 S N -0.035 115.685 115.700 0.033 0.000 2.565 280 S HA 0.224 4.694 4.470 0.001 0.000 0.269 280 S C 0.546 175.169 174.600 0.039 0.000 1.153 280 S CA -0.691 57.544 58.200 0.059 0.000 0.835 280 S CB 1.397 64.643 63.200 0.076 0.000 1.122 280 S HN 0.365 nan 8.310 nan 0.000 0.462 281 E N 1.271 121.466 120.200 -0.009 0.000 2.371 281 E HA 0.123 4.474 4.350 0.001 0.000 0.194 281 E C -0.516 175.892 176.600 -0.321 0.000 1.012 281 E CA 0.661 56.941 56.400 -0.201 0.000 0.860 281 E CB -0.069 29.406 29.700 -0.374 0.000 0.811 281 E HN 0.573 nan 8.360 nan 0.000 0.502 282 F N 1.728 121.643 119.950 -0.057 0.000 2.371 282 F HA 0.230 4.757 4.527 0.001 0.000 0.363 282 F C 0.958 176.806 175.800 0.080 0.000 1.122 282 F CA -0.404 57.549 58.000 -0.078 0.000 1.129 282 F CB 0.937 39.628 39.000 -0.515 0.000 1.173 282 F HN -0.271 nan 8.300 nan 0.000 0.489 283 T N -0.140 114.640 114.554 0.376 0.000 2.812 283 T HA 0.455 4.806 4.350 0.001 0.000 0.294 283 T C 0.831 175.690 174.700 0.265 0.000 1.159 283 T CA -0.853 61.400 62.100 0.254 0.000 1.008 283 T CB 1.312 70.259 68.868 0.131 0.000 1.289 283 T HN 0.204 nan 8.240 nan 0.000 0.514 284 I N 0.441 121.097 120.570 0.144 0.000 2.394 284 I HA -0.059 4.111 4.170 0.001 0.000 0.251 284 I C 2.510 178.633 176.117 0.011 0.000 1.136 284 I CA 1.344 62.683 61.300 0.066 0.000 1.425 284 I CB -1.149 36.879 38.000 0.047 0.000 1.079 284 I HN 0.837 nan 8.210 nan 0.000 0.425 285 E N 1.119 121.338 120.200 0.032 0.000 2.031 285 E HA -0.207 4.143 4.350 0.001 0.000 0.193 285 E C 2.306 178.907 176.600 0.002 0.000 0.994 285 E CA 2.104 58.510 56.400 0.010 0.000 0.800 285 E CB 0.130 29.841 29.700 0.018 0.000 0.752 285 E HN 0.519 nan 8.360 nan 0.000 0.447 286 S N 0.708 116.434 115.700 0.043 0.000 2.447 286 S HA -0.150 4.320 4.470 0.001 0.000 0.233 286 S C 2.008 176.570 174.600 -0.063 0.000 1.006 286 S CA 0.750 58.985 58.200 0.059 0.000 0.957 286 S CB -0.193 63.088 63.200 0.136 0.000 0.773 286 S HN 0.208 nan 8.310 nan 0.000 0.507 287 L N 2.016 123.059 121.223 -0.301 0.000 2.056 287 L HA 0.092 4.432 4.340 0.001 0.000 0.207 287 L C 2.312 179.022 176.870 -0.266 0.000 1.078 287 L CA 1.789 56.169 54.840 -0.766 0.000 0.749 287 L CB -1.019 40.513 42.059 -0.878 0.000 0.901 287 L HN 0.306 nan 8.230 nan 0.000 0.433 288 E N -0.314 119.810 120.200 -0.127 0.000 2.077 288 E HA -0.221 4.130 4.350 0.001 0.000 0.193 288 E C 1.898 178.498 176.600 0.000 0.000 0.989 288 E CA 1.612 57.993 56.400 -0.032 0.000 0.800 288 E CB -0.294 29.394 29.700 -0.020 0.000 0.746 288 E HN 0.683 nan 8.360 nan 0.000 0.452 289 N N -0.088 118.605 118.700 -0.012 0.000 2.142 289 N HA -0.095 4.645 4.740 0.001 0.000 0.186 289 N C 1.748 177.291 175.510 0.054 0.000 1.023 289 N CA 1.397 54.453 53.050 0.010 0.000 0.852 289 N CB 0.028 38.519 38.487 0.008 0.000 0.998 289 N HN 0.010 nan 8.380 nan 0.000 0.424 290 T N 0.368 114.958 114.554 0.060 0.000 2.867 290 T HA -0.016 4.334 4.350 0.001 0.000 0.268 290 T C 2.036 176.739 174.700 0.004 0.000 1.057 290 T CA 0.995 63.157 62.100 0.104 0.000 1.136 290 T CB -0.211 68.803 68.868 0.243 0.000 0.874 290 T HN 0.300 nan 8.240 nan 0.000 0.466 291 A N 1.733 124.549 122.820 -0.006 0.000 1.873 291 A HA -0.046 4.274 4.320 0.001 0.000 0.215 291 A C 2.660 180.328 177.584 0.141 0.000 1.186 291 A CA 1.765 53.793 52.037 -0.015 0.000 0.616 291 A CB -1.051 18.010 19.000 0.102 0.000 0.823 291 A HN 0.467 nan 8.150 nan 0.000 0.442 292 V N -1.697 118.332 119.914 0.191 0.000 2.427 292 V HA -0.203 3.918 4.120 0.001 0.000 0.248 292 V C 1.804 178.017 176.094 0.198 0.000 1.051 292 V CA 2.378 64.828 62.300 0.249 0.000 1.048 292 V CB -1.067 30.843 31.823 0.145 0.000 0.666 292 V HN 0.360 nan 8.190 nan 0.000 0.456 293 D N 0.894 121.373 120.400 0.132 0.000 2.123 293 D HA -0.118 4.523 4.640 0.001 0.000 0.196 293 D C 2.137 178.493 176.300 0.093 0.000 0.992 293 D CA 1.875 55.963 54.000 0.146 0.000 0.833 293 D CB -0.330 40.569 40.800 0.165 0.000 0.954 293 D HN 0.484 nan 8.370 nan 0.000 0.455 294 L N -0.669 120.547 121.223 -0.011 0.000 2.056 294 L HA -0.134 4.207 4.340 0.001 0.000 0.207 294 L C 2.320 179.118 176.870 -0.120 0.000 1.078 294 L CA 0.676 55.432 54.840 -0.141 0.000 0.749 294 L CB -0.368 41.465 42.059 -0.376 0.000 0.901 294 L HN -0.034 nan 8.230 nan 0.000 0.433 295 F N 0.349 120.291 119.950 -0.013 0.000 2.186 295 F HA -0.095 4.433 4.527 0.001 0.000 0.299 295 F C 2.431 178.256 175.800 0.041 0.000 1.090 295 F CA 1.442 59.456 58.000 0.024 0.000 1.307 295 F CB -0.983 38.052 39.000 0.058 0.000 1.019 295 F HN -0.006 nan 8.300 nan 0.000 0.489 296 G N -0.920 108.025 108.800 0.242 0.000 2.394 296 G HA2 -0.104 3.857 3.960 0.001 0.000 0.214 296 G HA3 -0.104 3.857 3.960 0.001 0.000 0.214 296 G C 1.831 176.807 174.900 0.127 0.000 1.176 296 G CA 0.688 45.890 45.100 0.171 0.000 0.786 296 G HN 0.421 nan 8.290 nan 0.000 0.533 297 A N 0.399 123.284 122.820 0.108 0.000 2.016 297 A HA 0.316 4.637 4.320 0.001 0.000 0.217 297 A C 2.473 180.098 177.584 0.069 0.000 1.162 297 A CA 1.730 53.815 52.037 0.081 0.000 0.662 297 A CB -0.432 18.613 19.000 0.076 0.000 0.812 297 A HN 0.497 nan 8.150 nan 0.000 0.450 298 G N -1.975 106.856 108.800 0.051 0.000 2.939 298 G HA2 0.204 4.165 3.960 0.001 0.000 0.210 298 G HA3 0.204 4.165 3.960 0.001 0.000 0.210 298 G C 1.191 176.136 174.900 0.075 0.000 1.160 298 G CA 1.210 46.333 45.100 0.037 0.000 0.770 298 G HN 0.403 nan 8.290 nan 0.000 0.543 299 T N 0.375 114.992 114.554 0.104 0.000 3.246 299 T HA 0.063 4.413 4.350 0.001 0.000 0.231 299 T C 2.008 176.764 174.700 0.094 0.000 0.986 299 T CA 0.891 63.062 62.100 0.118 0.000 1.340 299 T CB -0.124 68.833 68.868 0.149 0.000 1.063 299 T HN 0.214 nan 8.240 nan 0.000 0.427 300 E N 1.542 121.791 120.200 0.081 0.000 2.055 300 E HA -0.219 4.131 4.350 0.001 0.000 0.209 300 E C 2.131 178.773 176.600 0.070 0.000 1.036 300 E CA 2.584 59.023 56.400 0.066 0.000 0.849 300 E CB -0.996 28.739 29.700 0.059 0.000 0.767 300 E HN 0.419 nan 8.360 nan 0.000 0.461 301 T N -0.349 114.246 114.554 0.069 0.000 2.720 301 T HA -0.148 4.203 4.350 0.001 0.000 0.268 301 T C 1.910 176.657 174.700 0.079 0.000 1.037 301 T CA 1.956 64.093 62.100 0.062 0.000 1.144 301 T CB -0.731 68.161 68.868 0.040 0.000 0.864 301 T HN 0.279 nan 8.240 nan 0.000 0.444 302 T N 1.468 116.082 114.554 0.099 0.000 2.777 302 T HA -0.101 4.250 4.350 0.001 0.000 0.266 302 T C 2.328 177.111 174.700 0.139 0.000 1.040 302 T CA 1.411 63.587 62.100 0.127 0.000 1.141 302 T CB -0.487 68.467 68.868 0.144 0.000 0.868 302 T HN 0.402 nan 8.240 nan 0.000 0.444 303 S N 0.756 116.525 115.700 0.116 0.000 2.353 303 S HA -0.173 4.297 4.470 0.001 0.000 0.222 303 S C 2.226 176.885 174.600 0.099 0.000 1.035 303 S CA 2.033 60.289 58.200 0.093 0.000 1.025 303 S CB -0.871 62.359 63.200 0.050 0.000 0.902 303 S HN 0.538 nan 8.310 nan 0.000 0.440 304 T N 1.273 115.887 114.554 0.100 0.000 2.788 304 T HA -0.072 4.278 4.350 0.001 0.000 0.268 304 T C 1.903 176.714 174.700 0.186 0.000 1.044 304 T CA 1.838 64.010 62.100 0.121 0.000 1.139 304 T CB -0.875 68.061 68.868 0.113 0.000 0.867 304 T HN 0.525 nan 8.240 nan 0.000 0.454 305 T N 2.468 117.122 114.554 0.167 0.000 2.708 305 T HA 0.043 4.393 4.350 0.001 0.000 0.266 305 T C 1.995 176.815 174.700 0.200 0.000 1.037 305 T CA 0.870 63.077 62.100 0.178 0.000 1.146 305 T CB -0.464 68.473 68.868 0.114 0.000 0.865 305 T HN 0.260 nan 8.240 nan 0.000 0.435 306 L N 0.433 121.767 121.223 0.184 0.000 2.012 306 L HA -0.100 4.241 4.340 0.001 0.000 0.210 306 L C 2.917 179.903 176.870 0.194 0.000 1.073 306 L CA 1.440 56.394 54.840 0.191 0.000 0.748 306 L CB -0.512 41.662 42.059 0.191 0.000 0.891 306 L HN 0.145 nan 8.230 nan 0.000 0.431 307 R N -0.722 119.889 120.500 0.185 0.000 2.081 307 R HA -0.215 4.125 4.340 0.001 0.000 0.235 307 R C 2.377 178.827 176.300 0.251 0.000 1.131 307 R CA 1.652 57.878 56.100 0.210 0.000 0.960 307 R CB -0.360 30.021 30.300 0.135 0.000 0.856 307 R HN 0.349 nan 8.270 nan 0.000 0.436 308 Y N -0.090 120.277 120.300 0.110 0.000 2.352 308 Y HA -0.173 4.377 4.550 0.001 0.000 0.292 308 Y C 2.237 178.126 175.900 -0.019 0.000 1.136 308 Y CA 0.659 58.788 58.100 0.048 0.000 1.227 308 Y CB 0.132 38.636 38.460 0.073 0.000 0.991 308 Y HN 0.262 nan 8.280 nan 0.000 0.545 309 A N 0.086 123.039 122.820 0.221 0.000 1.873 309 A HA -0.154 4.166 4.320 0.001 0.000 0.215 309 A C 2.089 179.699 177.584 0.044 0.000 1.186 309 A CA 1.329 53.432 52.037 0.111 0.000 0.616 309 A CB -0.942 18.140 19.000 0.137 0.000 0.823 309 A HN 0.481 nan 8.150 nan 0.000 0.442 310 L N -0.906 120.366 121.223 0.080 0.000 2.083 310 L HA -0.169 4.171 4.340 0.001 0.000 0.209 310 L C 2.575 179.342 176.870 -0.172 0.000 1.083 310 L CA 1.128 55.988 54.840 0.033 0.000 0.752 310 L CB -0.660 41.501 42.059 0.170 0.000 0.899 310 L HN 0.461 nan 8.230 nan 0.000 0.433 311 L N 0.191 121.203 121.223 -0.353 0.000 2.017 311 L HA -0.196 4.145 4.340 0.001 0.000 0.208 311 L C 2.355 178.973 176.870 -0.419 0.000 1.073 311 L CA 1.745 56.153 54.840 -0.720 0.000 0.745 311 L CB -0.481 41.102 42.059 -0.795 0.000 0.894 311 L HN 0.080 nan 8.230 nan 0.000 0.432 312 L N -1.194 119.847 121.223 -0.302 0.000 2.083 312 L HA -0.229 4.112 4.340 0.001 0.000 0.209 312 L C 2.481 179.152 176.870 -0.331 0.000 1.083 312 L CA 1.161 55.728 54.840 -0.455 0.000 0.752 312 L CB -0.498 41.108 42.059 -0.754 0.000 0.899 312 L HN 0.310 nan 8.230 nan 0.000 0.433 313 L N -0.923 120.188 121.223 -0.187 0.000 2.217 313 L HA -0.189 4.152 4.340 0.001 0.000 0.211 313 L C 2.394 179.208 176.870 -0.093 0.000 1.107 313 L CA 0.814 55.618 54.840 -0.060 0.000 0.783 313 L CB -0.253 41.809 42.059 0.006 0.000 0.919 313 L HN 0.283 nan 8.230 nan 0.000 0.442 314 L N -0.286 120.827 121.223 -0.184 0.000 2.109 314 L HA -0.181 4.159 4.340 0.001 0.000 0.207 314 L C 2.619 179.357 176.870 -0.221 0.000 1.086 314 L CA 0.932 55.657 54.840 -0.191 0.000 0.760 314 L CB -0.199 41.710 42.059 -0.251 0.000 0.910 314 L HN 0.175 nan 8.230 nan 0.000 0.437 315 K N -0.460 119.733 120.400 -0.344 0.000 2.097 315 K HA -0.094 4.227 4.320 0.001 0.000 0.205 315 K C 0.459 176.710 176.600 -0.583 0.000 1.050 315 K CA 1.190 57.172 56.287 -0.507 0.000 0.938 315 K CB 0.082 32.151 32.500 -0.720 0.000 0.718 315 K HN 0.273 nan 8.250 nan 0.000 0.442 316 H N 0.238 119.256 119.070 -0.086 0.000 2.418 316 H HA 0.200 4.756 4.556 0.001 0.000 0.238 316 H C -2.103 173.240 175.328 0.024 0.000 1.403 316 H CA -2.070 53.976 56.048 -0.003 0.000 1.419 316 H CB 1.226 31.029 29.762 0.067 0.000 1.463 316 H HN 0.191 nan 8.280 nan 0.000 0.515 317 P HA -0.142 nan 4.420 nan 0.000 0.226 317 P C 0.810 178.165 177.300 0.091 0.000 1.153 317 P CA 0.817 63.956 63.100 0.064 0.000 0.777 317 P CB 0.565 32.280 31.700 0.026 0.000 0.794 318 E N 0.305 120.572 120.200 0.112 0.000 2.031 318 E HA -0.120 4.230 4.350 0.001 0.000 0.193 318 E C 2.123 178.793 176.600 0.117 0.000 0.994 318 E CA 1.071 57.528 56.400 0.095 0.000 0.800 318 E CB -1.466 28.292 29.700 0.097 0.000 0.752 318 E HN 0.005 nan 8.360 nan 0.000 0.447 319 V N 1.572 121.603 119.914 0.195 0.000 2.295 319 V HA -0.269 3.851 4.120 0.001 0.000 0.246 319 V C 2.364 178.644 176.094 0.310 0.000 1.049 319 V CA 2.335 64.826 62.300 0.319 0.000 1.024 319 V CB -0.930 31.104 31.823 0.351 0.000 0.648 319 V HN 0.393 nan 8.190 nan 0.000 0.447 320 T N 0.314 114.995 114.554 0.210 0.000 2.833 320 T HA -0.114 4.236 4.350 0.001 0.000 0.269 320 T C 1.997 176.776 174.700 0.132 0.000 1.054 320 T CA 1.449 63.648 62.100 0.164 0.000 1.135 320 T CB -0.359 68.574 68.868 0.108 0.000 0.869 320 T HN 0.572 nan 8.240 nan 0.000 0.466 321 A N 1.698 124.577 122.820 0.099 0.000 1.929 321 A HA -0.035 4.285 4.320 0.001 0.000 0.216 321 A C 2.277 179.881 177.584 0.034 0.000 1.176 321 A CA 1.127 53.199 52.037 0.058 0.000 0.628 321 A CB -0.281 18.741 19.000 0.036 0.000 0.816 321 A HN 0.399 nan 8.150 nan 0.000 0.444 322 K N -0.376 120.027 120.400 0.005 0.000 2.103 322 K HA -0.023 4.298 4.320 0.001 0.000 0.204 322 K C 1.844 178.461 176.600 0.028 0.000 1.052 322 K CA 1.220 57.423 56.287 -0.141 0.000 0.945 322 K CB -0.304 31.825 32.500 -0.619 0.000 0.722 322 K HN 0.291 nan 8.250 nan 0.000 0.443 323 V N 1.761 121.817 119.914 0.237 0.000 2.407 323 V HA -0.261 3.860 4.120 0.001 0.000 0.248 323 V C 2.169 178.357 176.094 0.156 0.000 1.055 323 V CA 1.717 64.188 62.300 0.285 0.000 1.049 323 V CB -0.408 31.575 31.823 0.265 0.000 0.662 323 V HN 0.352 nan 8.190 nan 0.000 0.455 324 Q N -0.818 119.049 119.800 0.112 0.000 2.230 324 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 324 Q C 2.407 178.443 176.000 0.059 0.000 0.963 324 Q CA 1.139 56.988 55.803 0.077 0.000 0.866 324 Q CB -0.131 28.647 28.738 0.067 0.000 0.931 324 Q HN 0.595 nan 8.270 nan 0.000 0.452 325 E N 1.578 121.807 120.200 0.048 0.000 2.051 325 E HA -0.234 4.116 4.350 0.001 0.000 0.192 325 E C 1.445 178.077 176.600 0.052 0.000 0.991 325 E CA 1.369 57.788 56.400 0.032 0.000 0.799 325 E CB 0.099 29.798 29.700 -0.001 0.000 0.748 325 E HN 0.390 nan 8.360 nan 0.000 0.449 326 E N 0.200 120.447 120.200 0.080 0.000 2.077 326 E HA -0.157 4.194 4.350 0.001 0.000 0.193 326 E C 2.390 179.053 176.600 0.105 0.000 0.989 326 E CA 1.208 57.674 56.400 0.111 0.000 0.800 326 E CB -0.134 29.668 29.700 0.170 0.000 0.746 326 E HN 0.364 nan 8.360 nan 0.000 0.452 327 I N 1.069 121.693 120.570 0.090 0.000 2.142 327 I HA -0.240 3.930 4.170 0.001 0.000 0.240 327 I C 2.558 178.707 176.117 0.054 0.000 1.078 327 I CA 0.929 62.269 61.300 0.066 0.000 1.343 327 I CB -0.238 37.788 38.000 0.043 0.000 1.046 327 I HN 0.027 nan 8.210 nan 0.000 0.405 328 E N 0.795 121.023 120.200 0.047 0.000 2.118 328 E HA -0.250 4.100 4.350 0.001 0.000 0.195 328 E C 2.226 178.851 176.600 0.041 0.000 0.992 328 E CA 1.306 57.728 56.400 0.036 0.000 0.804 328 E CB -0.144 29.574 29.700 0.030 0.000 0.741 328 E HN 0.403 nan 8.360 nan 0.000 0.458 329 R N -0.237 120.294 120.500 0.051 0.000 2.100 329 R HA -0.007 4.334 4.340 0.001 0.000 0.220 329 R C 2.208 178.550 176.300 0.070 0.000 1.091 329 R CA 0.808 56.940 56.100 0.054 0.000 0.986 329 R CB 0.190 30.522 30.300 0.053 0.000 0.888 329 R HN -0.024 nan 8.270 nan 0.000 0.444 330 V N 0.890 120.857 119.914 0.088 0.000 2.426 330 V HA 0.092 4.213 4.120 0.001 0.000 0.242 330 V C 1.231 177.375 176.094 0.082 0.000 1.036 330 V CA 0.942 63.307 62.300 0.109 0.000 1.044 330 V CB 0.054 31.966 31.823 0.148 0.000 0.688 330 V HN 0.144 nan 8.190 nan 0.000 0.462 331 I N -0.346 120.266 120.570 0.071 0.000 2.577 331 I HA 0.560 4.730 4.170 0.001 0.000 0.305 331 I C 1.076 177.216 176.117 0.039 0.000 0.986 331 I CA -0.178 61.153 61.300 0.052 0.000 1.189 331 I CB 1.356 39.386 38.000 0.049 0.000 1.355 331 I HN 0.177 nan 8.210 nan 0.000 0.476 332 G N 2.112 110.930 108.800 0.028 0.000 2.514 332 G HA2 0.185 4.145 3.960 0.001 0.000 0.245 332 G HA3 0.185 4.145 3.960 0.001 0.000 0.245 332 G C 0.519 175.426 174.900 0.011 0.000 1.488 332 G CA -0.196 44.916 45.100 0.020 0.000 1.063 332 G HN 0.698 nan 8.290 nan 0.000 0.557 333 R N -1.344 119.158 120.500 0.002 0.000 2.446 333 R HA 0.212 4.553 4.340 0.001 0.000 0.254 333 R C 1.715 178.006 176.300 -0.015 0.000 0.918 333 R CA 0.061 56.154 56.100 -0.011 0.000 1.069 333 R CB 0.033 30.325 30.300 -0.014 0.000 1.194 333 R HN 0.548 nan 8.270 nan 0.000 0.534 334 N N 0.527 119.224 118.700 -0.005 0.000 2.202 334 N HA -0.044 4.697 4.740 0.001 0.000 0.191 334 N C -0.012 175.497 175.510 -0.002 0.000 1.054 334 N CA 0.715 53.762 53.050 -0.004 0.000 0.877 334 N CB 0.003 38.491 38.487 0.002 0.000 1.057 334 N HN 0.108 nan 8.380 nan 0.000 0.456 335 R N 0.955 121.459 120.500 0.006 0.000 2.774 335 R HA 0.268 4.609 4.340 0.001 0.000 0.269 335 R C -0.237 176.070 176.300 0.012 0.000 1.068 335 R CA -0.360 55.747 56.100 0.011 0.000 1.180 335 R CB 0.237 30.548 30.300 0.017 0.000 1.077 335 R HN 0.168 nan 8.270 nan 0.000 0.513 336 S N 0.835 116.545 115.700 0.017 0.000 2.616 336 S HA 0.427 4.898 4.470 0.001 0.000 0.277 336 S C -2.277 172.343 174.600 0.033 0.000 1.234 336 S CA -1.507 56.706 58.200 0.022 0.000 1.028 336 S CB 1.276 64.493 63.200 0.028 0.000 0.988 336 S HN 0.520 nan 8.310 nan 0.000 0.522 337 P HA 0.320 nan 4.420 nan 0.000 0.270 337 P C -0.471 176.887 177.300 0.097 0.000 1.223 337 P CA -0.508 62.629 63.100 0.060 0.000 0.785 337 P CB 0.189 31.885 31.700 -0.007 0.000 0.923 338 C N 1.252 120.640 119.300 0.147 0.000 3.171 338 C HA 0.460 4.920 4.460 0.001 0.000 0.308 338 C C 1.440 176.516 174.990 0.144 0.000 1.334 338 C CA -0.782 58.303 59.018 0.113 0.000 1.473 338 C CB 0.614 28.385 27.740 0.051 0.000 1.866 338 C HN 0.379 nan 8.230 nan 0.000 0.465 339 M N 0.910 120.535 119.600 0.042 0.000 2.358 339 M HA -0.096 4.384 4.480 0.001 0.000 0.264 339 M C 2.073 178.269 176.300 -0.174 0.000 1.064 339 M CA 1.492 56.733 55.300 -0.097 0.000 1.093 339 M CB -1.445 31.088 32.600 -0.113 0.000 1.401 339 M HN 0.904 nan 8.290 nan 0.000 0.440 340 Q N 0.260 119.998 119.800 -0.104 0.000 2.181 340 Q HA -0.186 4.154 4.340 0.001 0.000 0.205 340 Q C 1.292 177.148 176.000 -0.240 0.000 0.980 340 Q CA 1.210 56.925 55.803 -0.147 0.000 0.862 340 Q CB 0.015 28.689 28.738 -0.107 0.000 0.905 340 Q HN 0.517 nan 8.270 nan 0.000 0.429 341 D N -0.192 120.117 120.400 -0.151 0.000 2.219 341 D HA -0.149 4.491 4.640 0.001 0.000 0.205 341 D C 1.658 177.905 176.300 -0.088 0.000 0.970 341 D CA 0.683 54.621 54.000 -0.104 0.000 0.851 341 D CB -0.159 40.718 40.800 0.129 0.000 0.943 341 D HN 0.193 nan 8.370 nan 0.000 0.488 342 R N 1.093 121.380 120.500 -0.354 0.000 2.105 342 R HA -0.156 4.184 4.340 0.001 0.000 0.239 342 R C 2.296 178.461 176.300 -0.226 0.000 1.135 342 R CA 1.759 57.522 56.100 -0.562 0.000 0.967 342 R CB -0.023 29.593 30.300 -1.141 0.000 0.861 342 R HN 0.188 nan 8.270 nan 0.000 0.442 343 S N -0.484 115.126 115.700 -0.150 0.000 2.399 343 S HA -0.155 4.316 4.470 0.001 0.000 0.231 343 S C 1.248 175.993 174.600 0.241 0.000 1.022 343 S CA 1.209 59.426 58.200 0.029 0.000 0.983 343 S CB -0.359 62.893 63.200 0.087 0.000 0.803 343 S HN 0.483 nan 8.310 nan 0.000 0.480 344 H N 0.445 119.514 119.070 -0.000 0.000 2.539 344 H HA 0.474 5.031 4.556 0.001 0.000 0.269 344 H C 0.058 175.434 175.328 0.080 0.000 0.980 344 H CA -0.027 56.046 56.048 0.043 0.000 1.152 344 H CB -0.291 29.499 29.762 0.048 0.000 1.407 344 H HN 0.466 nan 8.280 nan 0.000 0.564 345 M N 1.793 121.517 119.600 0.206 0.000 2.854 345 M HA 0.182 4.663 4.480 0.001 0.000 0.203 345 M C -1.824 174.596 176.300 0.200 0.000 1.069 345 M CA -1.431 54.004 55.300 0.224 0.000 0.803 345 M CB 2.060 34.840 32.600 0.301 0.000 1.380 345 M HN -0.082 nan 8.290 nan 0.000 0.494 346 P HA -0.215 nan 4.420 nan 0.000 0.218 346 P C 1.114 178.590 177.300 0.294 0.000 1.149 346 P CA 1.529 64.774 63.100 0.241 0.000 0.817 346 P CB 0.135 31.982 31.700 0.246 0.000 0.785 347 Y N 1.577 121.988 120.300 0.186 0.000 2.133 347 Y HA -0.145 4.405 4.550 0.001 0.000 0.287 347 Y C 2.476 178.488 175.900 0.186 0.000 1.134 347 Y CA 2.319 60.526 58.100 0.178 0.000 1.133 347 Y CB -1.126 37.419 38.460 0.141 0.000 0.987 347 Y HN -0.100 nan 8.280 nan 0.000 0.502 348 T N -0.093 114.606 114.554 0.242 0.000 2.684 348 T HA -0.221 4.130 4.350 0.001 0.000 0.267 348 T C 1.575 176.377 174.700 0.171 0.000 1.036 348 T CA 1.635 63.855 62.100 0.199 0.000 1.148 348 T CB -0.512 68.531 68.868 0.292 0.000 0.863 348 T HN 0.361 nan 8.240 nan 0.000 0.436 349 D N 1.119 121.628 120.400 0.182 0.000 2.123 349 D HA -0.065 4.575 4.640 0.001 0.000 0.196 349 D C 2.261 178.657 176.300 0.161 0.000 0.992 349 D CA 1.321 55.371 54.000 0.084 0.000 0.833 349 D CB -0.327 40.345 40.800 -0.212 0.000 0.954 349 D HN 0.386 nan 8.370 nan 0.000 0.455 350 A N -0.010 122.919 122.820 0.181 0.000 1.898 350 A HA -0.092 4.229 4.320 0.001 0.000 0.216 350 A C 2.626 180.194 177.584 -0.028 0.000 1.181 350 A CA 1.424 53.550 52.037 0.148 0.000 0.620 350 A CB -0.719 18.329 19.000 0.080 0.000 0.819 350 A HN 0.188 nan 8.150 nan 0.000 0.442 351 V N -0.230 119.604 119.914 -0.134 0.000 2.287 351 V HA -0.243 3.877 4.120 0.001 0.000 0.248 351 V C 2.581 178.715 176.094 0.067 0.000 1.053 351 V CA 2.072 64.324 62.300 -0.080 0.000 1.027 351 V CB -0.818 30.975 31.823 -0.050 0.000 0.646 351 V HN 0.375 nan 8.190 nan 0.000 0.447 352 V N -0.616 119.347 119.914 0.082 0.000 2.343 352 V HA -0.270 3.850 4.120 0.001 0.000 0.247 352 V C 2.375 178.468 176.094 -0.002 0.000 1.051 352 V CA 2.055 64.404 62.300 0.083 0.000 1.036 352 V CB -0.920 30.968 31.823 0.107 0.000 0.654 352 V HN 0.620 nan 8.190 nan 0.000 0.451 353 H N -0.427 118.508 119.070 -0.226 0.000 2.353 353 H HA -0.175 4.381 4.556 0.001 0.000 0.300 353 H C 2.465 177.577 175.328 -0.359 0.000 1.090 353 H CA 1.971 57.657 56.048 -0.605 0.000 1.327 353 H CB 0.179 29.027 29.762 -1.524 0.000 1.383 353 H HN 0.422 nan 8.280 nan 0.000 0.508 354 E N 0.889 121.034 120.200 -0.092 0.000 2.150 354 E HA -0.089 4.261 4.350 0.001 0.000 0.193 354 E C 2.341 179.065 176.600 0.206 0.000 0.985 354 E CA 0.583 57.020 56.400 0.062 0.000 0.814 354 E CB -0.201 29.377 29.700 -0.202 0.000 0.752 354 E HN 0.103 nan 8.360 nan 0.000 0.466 355 V N 0.786 120.866 119.914 0.278 0.000 2.261 355 V HA -0.301 3.820 4.120 0.001 0.000 0.246 355 V C 2.390 178.586 176.094 0.171 0.000 1.047 355 V CA 2.287 64.769 62.300 0.304 0.000 1.015 355 V CB -0.566 31.380 31.823 0.205 0.000 0.642 355 V HN 0.366 nan 8.190 nan 0.000 0.446 356 Q N -0.593 119.284 119.800 0.129 0.000 2.084 356 Q HA -0.236 4.104 4.340 0.001 0.000 0.202 356 Q C 2.507 178.541 176.000 0.057 0.000 0.978 356 Q CA 1.617 57.450 55.803 0.049 0.000 0.844 356 Q CB -0.286 28.464 28.738 0.020 0.000 0.898 356 Q HN 0.501 nan 8.270 nan 0.000 0.426 357 R N -0.011 120.604 120.500 0.193 0.000 2.075 357 R HA -0.185 4.155 4.340 0.001 0.000 0.232 357 R C 2.157 178.544 176.300 0.146 0.000 1.126 357 R CA 1.356 57.550 56.100 0.156 0.000 0.963 357 R CB -0.301 30.116 30.300 0.195 0.000 0.858 357 R HN 0.306 nan 8.270 nan 0.000 0.435 358 Y N 2.013 122.326 120.300 0.022 0.000 2.163 358 Y HA -0.182 4.368 4.550 0.001 0.000 0.288 358 Y C 2.139 178.059 175.900 0.033 0.000 1.136 358 Y CA 2.076 60.185 58.100 0.015 0.000 1.147 358 Y CB -0.234 38.278 38.460 0.087 0.000 0.987 358 Y HN 0.170 nan 8.280 nan 0.000 0.509 359 I N -1.777 118.757 120.570 -0.060 0.000 2.493 359 I HA -0.114 4.057 4.170 0.001 0.000 0.254 359 I C 0.648 176.679 176.117 -0.144 0.000 1.160 359 I CA 1.481 62.613 61.300 -0.280 0.000 1.445 359 I CB -0.753 36.976 38.000 -0.451 0.000 1.086 359 I HN 0.190 nan 8.210 nan 0.000 0.433 360 D N 0.881 121.222 120.400 -0.098 0.000 2.740 360 D HA -0.213 4.428 4.640 0.001 0.000 0.231 360 D C 0.729 176.975 176.300 -0.089 0.000 1.194 360 D CA 0.380 54.300 54.000 -0.133 0.000 0.673 360 D CB -0.837 39.812 40.800 -0.251 0.000 0.995 360 D HN 0.386 nan 8.370 nan 0.000 0.411 361 L N 0.160 121.342 121.223 -0.069 0.000 2.051 361 L HA -0.042 4.298 4.340 0.001 0.000 0.214 361 L C 1.445 178.304 176.870 -0.019 0.000 1.076 361 L CA 1.655 56.483 54.840 -0.020 0.000 0.758 361 L CB -0.116 41.927 42.059 -0.026 0.000 0.890 361 L HN 0.515 nan 8.230 nan 0.000 0.433 362 L N 0.761 121.951 121.223 -0.055 0.000 2.506 362 L HA 0.228 4.569 4.340 0.001 0.000 0.247 362 L C -1.339 175.509 176.870 -0.037 0.000 1.141 362 L CA -1.103 53.716 54.840 -0.036 0.000 0.973 362 L CB 0.890 42.913 42.059 -0.060 0.000 1.319 362 L HN -0.017 nan 8.230 nan 0.000 0.455 363 P HA -0.176 nan 4.420 nan 0.000 0.218 363 P C 0.887 178.203 177.300 0.025 0.000 1.146 363 P CA 1.445 64.541 63.100 -0.007 0.000 0.813 363 P CB 0.065 31.778 31.700 0.022 0.000 0.778 364 T N -5.524 109.057 114.554 0.044 0.000 3.339 364 T HA 0.399 4.749 4.350 0.001 0.000 0.292 364 T C 0.567 175.212 174.700 -0.091 0.000 1.012 364 T CA 0.050 62.145 62.100 -0.008 0.000 0.937 364 T CB -0.362 68.504 68.868 -0.002 0.000 1.164 364 T HN 0.137 nan 8.240 nan 0.000 0.509 365 S N 0.236 115.895 115.700 -0.067 0.000 3.416 365 S HA -0.195 4.275 4.470 0.001 0.000 0.627 365 S C -0.327 174.194 174.600 -0.131 0.000 2.746 365 S CA 0.785 58.944 58.200 -0.068 0.000 3.896 365 S CB -1.133 62.061 63.200 -0.011 0.000 0.264 365 S HN 0.635 nan 8.310 nan 0.000 1.229 366 L N 2.779 123.919 121.223 -0.137 0.000 2.346 366 L HA 0.624 4.965 4.340 0.001 0.000 0.274 366 L C -2.203 174.526 176.870 -0.235 0.000 1.007 366 L CA -1.729 52.971 54.840 -0.233 0.000 0.818 366 L CB 1.065 42.969 42.059 -0.258 0.000 1.284 366 L HN 0.423 nan 8.230 nan 0.000 0.424 367 P HA 0.071 nan 4.420 nan 0.000 0.264 367 P C -0.821 176.328 177.300 -0.252 0.000 1.183 367 P CA 0.354 63.352 63.100 -0.170 0.000 0.763 367 P CB 0.283 31.936 31.700 -0.077 0.000 0.807 368 H N 0.779 119.742 119.070 -0.179 0.000 2.630 368 H HA 0.790 5.346 4.556 0.001 0.000 0.343 368 H C -0.438 174.779 175.328 -0.184 0.000 1.232 368 H CA -0.818 55.125 56.048 -0.174 0.000 1.294 368 H CB 2.160 31.860 29.762 -0.104 0.000 1.746 368 H HN 0.428 nan 8.280 nan 0.000 0.593 369 A N 0.963 123.746 122.820 -0.062 0.000 2.547 369 A HA 0.376 4.697 4.320 0.001 0.000 0.297 369 A C -0.685 176.782 177.584 -0.195 0.000 1.056 369 A CA -0.704 51.242 52.037 -0.153 0.000 0.688 369 A CB 0.872 19.748 19.000 -0.206 0.000 1.282 369 A HN 0.426 nan 8.150 nan 0.000 0.400 370 V N 0.896 120.641 119.914 -0.282 0.000 2.572 370 V HA 0.386 4.507 4.120 0.001 0.000 0.291 370 V C 0.970 176.890 176.094 -0.289 0.000 1.039 370 V CA 0.805 62.847 62.300 -0.430 0.000 1.055 370 V CB 0.430 31.919 31.823 -0.556 0.000 0.969 370 V HN 0.867 nan 8.190 nan 0.000 0.482 371 T N 3.200 117.595 114.554 -0.266 0.000 3.035 371 T HA 0.053 4.404 4.350 0.001 0.000 0.268 371 T C 0.571 175.185 174.700 -0.143 0.000 1.109 371 T CA 1.402 63.399 62.100 -0.171 0.000 1.119 371 T CB -0.501 68.295 68.868 -0.119 0.000 0.900 371 T HN 1.173 nan 8.240 nan 0.000 0.503 372 C N -0.525 118.672 119.300 -0.171 0.000 3.306 372 C HA 0.550 5.011 4.460 0.001 0.000 0.335 372 C C -1.720 173.190 174.990 -0.133 0.000 1.382 372 C CA -1.804 57.141 59.018 -0.123 0.000 1.254 372 C CB 0.804 28.491 27.740 -0.088 0.000 1.555 372 C HN 0.020 nan 8.230 nan 0.000 0.463 373 D N 1.297 121.645 120.400 -0.087 0.000 2.451 373 D HA 0.457 5.098 4.640 0.001 0.000 0.254 373 D C -0.277 175.986 176.300 -0.062 0.000 1.204 373 D CA 0.883 54.843 54.000 -0.068 0.000 0.896 373 D CB 0.392 41.171 40.800 -0.036 0.000 1.136 373 D HN 0.609 nan 8.370 nan 0.000 0.499 374 I N 1.889 122.417 120.570 -0.070 0.000 2.846 374 I HA 0.301 4.471 4.170 0.001 0.000 0.307 374 I C -0.553 175.598 176.117 0.055 0.000 1.053 374 I CA -0.926 60.354 61.300 -0.033 0.000 1.050 374 I CB 1.720 39.642 38.000 -0.130 0.000 1.239 374 I HN 0.049 nan 8.210 nan 0.000 0.439 375 K N 5.827 126.289 120.400 0.104 0.000 2.307 375 K HA 0.411 4.731 4.320 0.001 0.000 0.263 375 K C -2.048 174.707 176.600 0.258 0.000 0.973 375 K CA -0.452 55.920 56.287 0.142 0.000 0.846 375 K CB 0.914 33.460 32.500 0.078 0.000 1.100 375 K HN 0.498 nan 8.250 nan 0.000 0.438 376 F N 5.173 125.189 119.950 0.110 0.000 2.579 376 F HA 0.367 4.895 4.527 0.001 0.000 0.325 376 F C -0.215 175.660 175.800 0.124 0.000 1.162 376 F CA -0.604 57.484 58.000 0.148 0.000 0.946 376 F CB 0.890 40.044 39.000 0.257 0.000 1.211 376 F HN 0.672 nan 8.300 nan 0.000 0.447 377 R N 4.789 125.015 120.500 -0.456 0.000 3.416 377 R HA -0.322 4.018 4.340 0.001 0.000 0.263 377 R C 0.144 176.178 176.300 -0.443 0.000 1.053 377 R CA 1.138 56.962 56.100 -0.459 0.000 0.705 377 R CB -2.428 27.538 30.300 -0.557 0.000 1.124 377 R HN 1.073 nan 8.270 nan 0.000 0.444 378 N N -3.091 115.424 118.700 -0.309 0.000 2.878 378 N HA -0.268 4.473 4.740 0.001 0.000 0.247 378 N C 0.343 175.626 175.510 -0.378 0.000 1.021 378 N CA 1.362 54.206 53.050 -0.344 0.000 0.873 378 N CB -1.132 37.090 38.487 -0.441 0.000 1.128 378 N HN 0.536 nan 8.380 nan 0.000 0.571 379 Y N 0.027 120.364 120.300 0.061 0.000 2.343 379 Y HA 0.283 4.834 4.550 0.001 0.000 0.294 379 Y C 0.978 176.932 175.900 0.090 0.000 1.122 379 Y CA 0.025 58.181 58.100 0.094 0.000 1.173 379 Y CB 0.503 39.045 38.460 0.136 0.000 1.077 379 Y HN 0.115 nan 8.280 nan 0.000 0.542 380 L N 1.166 122.537 121.223 0.247 0.000 2.443 380 L HA -0.186 4.154 4.340 0.001 0.000 0.645 380 L C -1.624 175.324 176.870 0.130 0.000 1.007 380 L CA 0.026 54.957 54.840 0.153 0.000 1.350 380 L CB -1.092 41.036 42.059 0.115 0.000 2.011 380 L HN 0.136 nan 8.230 nan 0.000 0.954 381 I N 6.914 127.537 120.570 0.088 0.000 2.410 381 I HA 0.417 4.587 4.170 0.001 0.000 0.286 381 I C -2.014 174.082 176.117 -0.036 0.000 1.009 381 I CA -1.880 59.434 61.300 0.022 0.000 1.111 381 I CB 1.710 39.712 38.000 0.005 0.000 1.262 381 I HN 0.425 nan 8.210 nan 0.000 0.443 382 P HA 0.007 nan 4.420 nan 0.000 0.269 382 P C -0.582 176.663 177.300 -0.092 0.000 1.209 382 P CA -0.476 62.593 63.100 -0.052 0.000 0.776 382 P CB 0.529 32.207 31.700 -0.037 0.000 0.876 383 K N 2.010 122.356 120.400 -0.091 0.000 2.484 383 K HA 0.162 4.483 4.320 0.001 0.000 0.280 383 K C 1.067 177.597 176.600 -0.116 0.000 1.013 383 K CA 0.946 57.165 56.287 -0.113 0.000 1.029 383 K CB -0.850 31.597 32.500 -0.089 0.000 0.902 383 K HN 0.755 nan 8.250 nan 0.000 0.481 384 G N 2.514 111.227 108.800 -0.145 0.000 2.195 384 G HA2 -0.244 3.716 3.960 0.001 0.000 0.246 384 G HA3 -0.244 3.716 3.960 0.001 0.000 0.246 384 G C 0.072 174.875 174.900 -0.161 0.000 0.984 384 G CA 0.300 45.312 45.100 -0.146 0.000 0.633 384 G HN 0.697 nan 8.290 nan 0.000 0.525 385 T N 2.774 117.234 114.554 -0.158 0.000 2.867 385 T HA 0.426 4.777 4.350 0.001 0.000 0.297 385 T C 0.806 175.397 174.700 -0.182 0.000 0.989 385 T CA 0.911 62.915 62.100 -0.160 0.000 1.159 385 T CB 0.974 69.761 68.868 -0.136 0.000 0.928 385 T HN 0.305 nan 8.240 nan 0.000 0.538 386 T N 5.313 119.737 114.554 -0.216 0.000 2.888 386 T HA 0.236 4.587 4.350 0.001 0.000 0.301 386 T C 0.318 174.921 174.700 -0.160 0.000 1.001 386 T CA -0.320 61.634 62.100 -0.243 0.000 1.147 386 T CB 0.045 68.666 68.868 -0.412 0.000 0.931 386 T HN 0.303 nan 8.240 nan 0.000 0.541 387 I N 4.110 124.620 120.570 -0.100 0.000 2.406 387 I HA 0.366 4.537 4.170 0.001 0.000 0.290 387 I C -0.133 175.956 176.117 -0.048 0.000 0.999 387 I CA -0.761 60.510 61.300 -0.049 0.000 1.124 387 I CB 1.447 39.478 38.000 0.051 0.000 1.289 387 I HN 0.484 nan 8.210 nan 0.000 0.441 388 L N 6.154 127.328 121.223 -0.082 0.000 2.287 388 L HA 0.472 4.812 4.340 0.001 0.000 0.287 388 L C -0.314 176.497 176.870 -0.099 0.000 1.022 388 L CA -0.700 54.091 54.840 -0.081 0.000 0.814 388 L CB 1.726 43.751 42.059 -0.057 0.000 1.217 388 L HN 0.319 nan 8.230 nan 0.000 0.420 389 I N 2.512 123.029 120.570 -0.088 0.000 2.325 389 I HA 0.065 4.236 4.170 0.001 0.000 0.291 389 I C 0.754 176.841 176.117 -0.049 0.000 1.019 389 I CA 0.117 61.351 61.300 -0.111 0.000 1.302 389 I CB 1.481 39.386 38.000 -0.159 0.000 1.401 389 I HN 0.493 nan 8.210 nan 0.000 0.485 390 S N 7.000 122.692 115.700 -0.012 0.000 2.701 390 S HA 0.272 4.742 4.470 0.001 0.000 0.317 390 S C 1.351 175.948 174.600 -0.006 0.000 1.149 390 S CA -0.547 57.681 58.200 0.047 0.000 1.052 390 S CB -0.118 63.199 63.200 0.194 0.000 1.257 390 S HN 0.513 nan 8.310 nan 0.000 0.532 391 L N 3.556 124.765 121.223 -0.023 0.000 2.093 391 L HA -0.073 4.268 4.340 0.001 0.000 0.208 391 L C 2.631 179.471 176.870 -0.052 0.000 1.085 391 L CA 1.135 55.952 54.840 -0.039 0.000 0.755 391 L CB -1.091 40.930 42.059 -0.063 0.000 0.904 391 L HN 0.540 nan 8.230 nan 0.000 0.435 392 T N -0.210 114.293 114.554 -0.085 0.000 2.653 392 T HA -0.228 4.122 4.350 0.001 0.000 0.268 392 T C 2.054 176.695 174.700 -0.097 0.000 1.035 392 T CA 1.930 63.914 62.100 -0.193 0.000 1.154 392 T CB -0.402 68.386 68.868 -0.132 0.000 0.862 392 T HN 0.556 nan 8.240 nan 0.000 0.441 393 S N 0.851 116.528 115.700 -0.038 0.000 2.442 393 S HA -0.049 4.422 4.470 0.001 0.000 0.236 393 S C 2.034 176.667 174.600 0.056 0.000 1.007 393 S CA 0.757 58.903 58.200 -0.090 0.000 0.965 393 S CB -0.619 62.239 63.200 -0.569 0.000 0.773 393 S HN 0.357 nan 8.310 nan 0.000 0.504 394 V N 0.756 120.748 119.914 0.129 0.000 2.492 394 V HA 0.113 4.233 4.120 0.001 0.000 0.241 394 V C 2.338 178.703 176.094 0.452 0.000 1.041 394 V CA 0.677 63.178 62.300 0.334 0.000 1.057 394 V CB -0.689 31.297 31.823 0.270 0.000 0.711 394 V HN 0.331 nan 8.190 nan 0.000 0.468 395 L N 0.072 121.463 121.223 0.280 0.000 2.127 395 L HA -0.130 4.210 4.340 0.001 0.000 0.211 395 L C 1.847 178.947 176.870 0.382 0.000 1.089 395 L CA 1.948 56.952 54.840 0.274 0.000 0.757 395 L CB -1.001 41.101 42.059 0.072 0.000 0.899 395 L HN 0.482 nan 8.230 nan 0.000 0.434 396 H N -1.748 117.399 119.070 0.129 0.000 2.472 396 H HA 0.114 4.670 4.556 0.001 0.000 0.287 396 H C -0.059 175.376 175.328 0.179 0.000 1.112 396 H CA -0.602 55.511 56.048 0.107 0.000 1.021 396 H CB 0.379 30.165 29.762 0.039 0.000 1.635 396 H HN 0.215 nan 8.280 nan 0.000 0.559 397 D N 1.309 121.933 120.400 0.373 0.000 2.450 397 D HA -0.092 4.548 4.640 0.001 0.000 0.247 397 D C 0.781 177.136 176.300 0.092 0.000 1.162 397 D CA 0.366 54.477 54.000 0.185 0.000 0.879 397 D CB 0.731 41.568 40.800 0.061 0.000 1.163 397 D HN 0.448 nan 8.370 nan 0.000 0.472 398 N N 3.085 121.820 118.700 0.058 0.000 2.166 398 N HA -0.187 4.554 4.740 0.001 0.000 0.186 398 N C 1.728 177.210 175.510 -0.047 0.000 1.019 398 N CA 0.811 53.880 53.050 0.032 0.000 0.856 398 N CB 0.245 38.759 38.487 0.044 0.000 0.993 398 N HN 0.397 nan 8.380 nan 0.000 0.426 399 K N 0.900 121.224 120.400 -0.127 0.000 2.044 399 K HA -0.128 4.192 4.320 0.001 0.000 0.204 399 K C 1.885 178.280 176.600 -0.341 0.000 1.049 399 K CA 1.046 57.220 56.287 -0.189 0.000 0.945 399 K CB 0.035 32.433 32.500 -0.170 0.000 0.724 399 K HN -0.037 nan 8.250 nan 0.000 0.440 400 E N -0.135 119.695 120.200 -0.617 0.000 2.110 400 E HA -0.110 4.241 4.350 0.001 0.000 0.193 400 E C -0.400 175.604 176.600 -0.993 0.000 0.988 400 E CA 1.234 57.015 56.400 -1.032 0.000 0.804 400 E CB 0.112 28.712 29.700 -1.833 0.000 0.745 400 E HN 0.294 nan 8.360 nan 0.000 0.458 401 F N -0.617 119.225 119.950 -0.179 0.000 2.550 401 F HA 0.329 4.857 4.527 0.001 0.000 0.348 401 F C -1.848 174.007 175.800 0.092 0.000 1.219 401 F CA -2.405 55.613 58.000 0.029 0.000 1.203 401 F CB 1.577 40.498 39.000 -0.131 0.000 1.436 401 F HN -0.074 nan 8.300 nan 0.000 0.541 402 P HA -0.304 nan 4.420 nan 0.000 0.224 402 P C -0.101 177.263 177.300 0.106 0.000 1.031 402 P CA 1.796 64.931 63.100 0.058 0.000 1.031 402 P CB 0.108 31.794 31.700 -0.024 0.000 0.742 403 N N -1.798 117.006 118.700 0.173 0.000 3.044 403 N HA 0.131 4.872 4.740 0.001 0.000 0.254 403 N C -1.775 173.833 175.510 0.163 0.000 1.253 403 N CA -1.425 51.706 53.050 0.136 0.000 0.944 403 N CB 0.501 39.051 38.487 0.106 0.000 1.217 403 N HN 0.298 nan 8.380 nan 0.000 0.498 404 P HA -0.133 nan 4.420 nan 0.000 0.219 404 P C 0.529 177.654 177.300 -0.291 0.000 1.146 404 P CA 1.267 64.304 63.100 -0.104 0.000 0.808 404 P CB 0.607 32.303 31.700 -0.007 0.000 0.779 405 E N -0.768 119.366 120.200 -0.111 0.000 2.502 405 E HA 0.121 4.472 4.350 0.001 0.000 0.194 405 E C 1.079 177.760 176.600 0.136 0.000 1.062 405 E CA 0.388 56.742 56.400 -0.075 0.000 0.867 405 E CB -0.195 29.517 29.700 0.019 0.000 0.888 405 E HN 0.466 nan 8.360 nan 0.000 0.510 406 M N -0.016 119.684 119.600 0.166 0.000 2.528 406 M HA 0.302 4.782 4.480 0.001 0.000 0.321 406 M C -0.410 176.015 176.300 0.208 0.000 1.153 406 M CA -1.044 54.409 55.300 0.255 0.000 0.951 406 M CB 1.711 34.409 32.600 0.164 0.000 1.705 406 M HN -0.169 nan 8.290 nan 0.000 0.451 407 F N 2.870 122.730 119.950 -0.151 0.000 2.438 407 F HA 0.276 4.804 4.527 0.001 0.000 0.360 407 F C -0.509 175.151 175.800 -0.233 0.000 1.118 407 F CA 0.213 57.986 58.000 -0.378 0.000 1.164 407 F CB 0.153 38.713 39.000 -0.733 0.000 1.131 407 F HN 0.432 nan 8.300 nan 0.000 0.527 408 D N 8.264 128.345 120.400 -0.531 0.000 2.616 408 D HA 0.305 4.945 4.640 0.001 0.000 0.238 408 D C -2.370 173.718 176.300 -0.353 0.000 1.354 408 D CA -2.088 51.674 54.000 -0.397 0.000 0.970 408 D CB 2.262 42.972 40.800 -0.149 0.000 1.369 408 D HN 0.147 nan 8.370 nan 0.000 0.585 409 P HA -0.115 nan 4.420 nan 0.000 0.221 409 P C 0.802 178.061 177.300 -0.069 0.000 1.145 409 P CA 0.832 63.726 63.100 -0.344 0.000 0.795 409 P CB 0.136 31.519 31.700 -0.528 0.000 0.775 410 H N -2.083 116.923 119.070 -0.108 0.000 2.561 410 H HA -0.062 4.494 4.556 0.001 0.000 0.278 410 H C 1.735 176.951 175.328 -0.185 0.000 1.014 410 H CA 0.727 56.705 56.048 -0.117 0.000 1.211 410 H CB -0.889 28.790 29.762 -0.137 0.000 1.365 410 H HN 0.390 nan 8.280 nan 0.000 0.594 411 H N -1.000 118.040 119.070 -0.050 0.000 2.491 411 H HA -0.053 4.504 4.556 0.001 0.000 0.290 411 H C 0.343 175.352 175.328 -0.531 0.000 1.050 411 H CA 0.795 56.726 56.048 -0.195 0.000 1.309 411 H CB 0.134 29.781 29.762 -0.192 0.000 1.392 411 H HN 0.300 nan 8.280 nan 0.000 0.554 412 F N 0.312 120.257 119.950 -0.007 0.000 2.841 412 F HA 0.331 4.858 4.527 0.001 0.000 0.358 412 F C -0.281 175.323 175.800 -0.326 0.000 1.261 412 F CA -0.040 57.799 58.000 -0.268 0.000 1.233 412 F CB 0.710 39.519 39.000 -0.318 0.000 1.008 412 F HN -0.178 nan 8.300 nan 0.000 0.507 413 L N 0.833 122.008 121.223 -0.080 0.000 2.464 413 L HA 0.392 4.732 4.340 0.001 0.000 0.266 413 L C -0.816 175.990 176.870 -0.108 0.000 0.965 413 L CA -1.082 53.733 54.840 -0.041 0.000 0.833 413 L CB 2.033 44.160 42.059 0.114 0.000 1.296 413 L HN 0.028 nan 8.230 nan 0.000 0.405 414 D N 1.087 121.426 120.400 -0.101 0.000 2.447 414 D HA 0.075 4.715 4.640 0.001 0.000 0.265 414 D C 0.991 177.224 176.300 -0.112 0.000 1.250 414 D CA -0.520 53.414 54.000 -0.111 0.000 1.046 414 D CB 0.568 41.314 40.800 -0.090 0.000 1.095 414 D HN 0.539 nan 8.370 nan 0.000 0.555 415 E N -0.072 120.063 120.200 -0.108 0.000 2.097 415 E HA -0.106 4.244 4.350 0.001 0.000 0.196 415 E C 1.187 177.735 176.600 -0.086 0.000 1.000 415 E CA 1.212 57.547 56.400 -0.108 0.000 0.804 415 E CB -1.137 28.511 29.700 -0.087 0.000 0.740 415 E HN 0.519 nan 8.360 nan 0.000 0.454 416 G N 0.553 109.319 108.800 -0.058 0.000 2.444 416 G HA2 0.351 4.312 3.960 0.001 0.000 0.268 416 G HA3 0.351 4.312 3.960 0.001 0.000 0.268 416 G C 0.630 175.518 174.900 -0.020 0.000 1.203 416 G CA -0.137 44.943 45.100 -0.034 0.000 0.835 416 G HN 0.207 nan 8.290 nan 0.000 0.543 417 G N 0.938 109.741 108.800 0.005 0.000 3.297 417 G HA2 0.003 3.964 3.960 0.001 0.000 0.225 417 G HA3 0.003 3.964 3.960 0.001 0.000 0.225 417 G C 0.428 175.384 174.900 0.094 0.000 1.171 417 G CA -0.291 44.843 45.100 0.055 0.000 1.652 417 G HN 0.656 nan 8.290 nan 0.000 0.564 418 N N -0.658 118.079 118.700 0.061 0.000 2.476 418 N HA 0.406 5.147 4.740 0.001 0.000 0.275 418 N C -0.701 174.874 175.510 0.107 0.000 1.190 418 N CA -0.862 52.244 53.050 0.093 0.000 0.977 418 N CB 1.174 39.696 38.487 0.058 0.000 1.200 418 N HN 0.118 nan 8.380 nan 0.000 0.515 419 F N 1.583 121.548 119.950 0.025 0.000 2.543 419 F HA 0.080 4.607 4.527 0.001 0.000 0.375 419 F C 0.416 176.217 175.800 0.002 0.000 1.075 419 F CA 0.012 58.016 58.000 0.006 0.000 1.225 419 F CB 0.360 39.338 39.000 -0.038 0.000 1.099 419 F HN 0.246 nan 8.300 nan 0.000 0.561 420 K N 8.166 128.095 120.400 -0.784 0.000 2.404 420 K HA 0.225 4.545 4.320 0.001 0.000 0.257 420 K C -0.407 175.738 176.600 -0.757 0.000 1.026 420 K CA -0.802 55.154 56.287 -0.552 0.000 0.951 420 K CB 0.553 32.855 32.500 -0.331 0.000 1.203 420 K HN 0.752 nan 8.250 nan 0.000 0.446 421 K N 1.418 121.525 120.400 -0.487 0.000 2.149 421 K HA 0.237 4.557 4.320 0.001 0.000 0.245 421 K C -0.482 176.126 176.600 0.013 0.000 1.024 421 K CA -0.613 55.595 56.287 -0.131 0.000 0.899 421 K CB 1.270 33.875 32.500 0.175 0.000 1.038 421 K HN 0.329 nan 8.250 nan 0.000 0.496 422 S N -0.693 115.147 115.700 0.233 0.000 2.533 422 S HA 0.199 4.670 4.470 0.001 0.000 0.271 422 S C -0.167 174.648 174.600 0.359 0.000 1.143 422 S CA -0.971 57.375 58.200 0.243 0.000 0.891 422 S CB 1.342 64.699 63.200 0.261 0.000 1.105 422 S HN 0.778 nan 8.310 nan 0.000 0.468 423 K N 2.067 122.603 120.400 0.228 0.000 2.459 423 K HA 0.083 4.404 4.320 0.001 0.000 0.193 423 K C 0.515 177.180 176.600 0.108 0.000 1.030 423 K CA 0.785 57.153 56.287 0.136 0.000 1.026 423 K CB -0.273 32.198 32.500 -0.049 0.000 0.809 423 K HN 0.655 nan 8.250 nan 0.000 0.504 424 Y N 0.187 120.558 120.300 0.119 0.000 2.546 424 Y HA 0.088 4.639 4.550 0.001 0.000 0.287 424 Y C 0.378 176.581 175.900 0.504 0.000 1.158 424 Y CA -0.618 57.626 58.100 0.241 0.000 1.307 424 Y CB 0.175 38.719 38.460 0.141 0.000 1.036 424 Y HN 0.005 nan 8.280 nan 0.000 0.532 425 F N 1.767 122.060 119.950 0.572 0.000 2.541 425 F HA 0.199 4.727 4.527 0.001 0.000 0.347 425 F C 0.338 176.349 175.800 0.351 0.000 1.242 425 F CA -0.024 58.291 58.000 0.524 0.000 1.123 425 F CB -0.196 39.184 39.000 0.632 0.000 1.354 425 F HN -0.035 nan 8.300 nan 0.000 0.621 426 M N 8.107 127.683 119.600 -0.039 0.000 2.963 426 M HA 0.160 4.641 4.480 0.001 0.000 0.350 426 M C -1.543 174.614 176.300 -0.239 0.000 1.253 426 M CA -1.102 54.149 55.300 -0.083 0.000 0.856 426 M CB 0.562 33.193 32.600 0.052 0.000 1.356 426 M HN 0.247 nan 8.290 nan 0.000 0.510 427 P HA -0.081 nan 4.420 nan 0.000 0.226 427 P C 0.582 177.545 177.300 -0.561 0.000 1.153 427 P CA 1.276 64.021 63.100 -0.592 0.000 0.777 427 P CB -0.023 31.152 31.700 -0.874 0.000 0.794 428 F N -0.629 119.206 119.950 -0.192 0.000 2.664 428 F HA 0.257 4.784 4.527 0.001 0.000 0.303 428 F C 1.503 177.275 175.800 -0.047 0.000 1.092 428 F CA 0.084 58.030 58.000 -0.090 0.000 1.305 428 F CB -0.059 38.903 39.000 -0.063 0.000 1.054 428 F HN -0.069 nan 8.300 nan 0.000 0.565 429 S N 0.257 115.997 115.700 0.067 0.000 3.683 429 S HA 0.080 4.551 4.470 0.001 0.000 0.636 429 S C -0.457 174.192 174.600 0.082 0.000 2.235 429 S CA -0.182 58.050 58.200 0.054 0.000 2.445 429 S CB -1.053 62.193 63.200 0.077 0.000 0.330 429 S HN 1.056 nan 8.310 nan 0.000 1.763 430 A N -0.035 122.820 122.820 0.057 0.000 2.599 430 A HA 0.922 5.243 4.320 0.001 0.000 0.290 430 A C 0.848 178.459 177.584 0.045 0.000 1.101 430 A CA 0.864 52.935 52.037 0.057 0.000 0.674 430 A CB 0.487 19.509 19.000 0.037 0.000 1.277 430 A HN 2.997 nan 8.150 nan 0.000 0.419 431 G N 0.457 109.292 108.800 0.058 0.000 2.545 431 G HA2 -0.110 3.850 3.960 0.001 0.000 0.216 431 G HA3 -0.110 3.850 3.960 0.001 0.000 0.216 431 G C 0.502 175.480 174.900 0.129 0.000 1.314 431 G CA 0.223 45.365 45.100 0.069 0.000 0.906 431 G HN 0.928 nan 8.290 nan 0.000 0.563 432 K N 0.279 120.784 120.400 0.176 0.000 2.209 432 K HA -0.010 4.310 4.320 0.001 0.000 0.204 432 K C 2.183 179.021 176.600 0.398 0.000 1.048 432 K CA 1.200 57.656 56.287 0.281 0.000 0.940 432 K CB -0.085 32.637 32.500 0.370 0.000 0.729 432 K HN 0.378 nan 8.250 nan 0.000 0.451 433 R N 0.737 121.431 120.500 0.324 0.000 2.359 433 R HA 0.215 4.556 4.340 0.001 0.000 0.231 433 R C 0.832 177.260 176.300 0.215 0.000 0.913 433 R CA -0.341 55.937 56.100 0.296 0.000 1.075 433 R CB -0.295 30.083 30.300 0.130 0.000 1.087 433 R HN 0.210 nan 8.270 nan 0.000 0.515 434 I N 1.352 122.033 120.570 0.185 0.000 2.919 434 I HA -0.189 3.982 4.170 0.001 0.000 0.303 434 I C 0.670 176.867 176.117 0.133 0.000 1.221 434 I CA 0.236 61.623 61.300 0.145 0.000 1.444 434 I CB 0.588 38.656 38.000 0.113 0.000 1.331 434 I HN 0.174 nan 8.210 nan 0.000 0.572 435 C N 7.669 127.059 119.300 0.149 0.000 2.106 435 C HA -0.061 4.399 4.460 0.001 0.000 0.402 435 C C 1.879 176.898 174.990 0.050 0.000 1.548 435 C CA 0.022 59.123 59.018 0.137 0.000 1.432 435 C CB -0.999 26.911 27.740 0.283 0.000 2.584 435 C HN 0.742 nan 8.230 nan 0.000 0.604 436 V N 6.076 126.029 119.914 0.064 0.000 2.568 436 V HA -0.090 4.031 4.120 0.001 0.000 0.253 436 V C 2.200 178.279 176.094 -0.027 0.000 1.072 436 V CA 2.449 64.768 62.300 0.031 0.000 1.084 436 V CB -0.692 31.169 31.823 0.064 0.000 0.676 436 V HN 1.078 nan 8.190 nan 0.000 0.469 437 G N -1.105 107.679 108.800 -0.027 0.000 3.609 437 G HA2 0.071 4.031 3.960 0.001 0.000 0.280 437 G HA3 0.071 4.031 3.960 0.001 0.000 0.280 437 G C 1.066 175.861 174.900 -0.175 0.000 1.155 437 G CA 0.219 45.279 45.100 -0.068 0.000 0.876 437 G HN 0.531 nan 8.290 nan 0.000 0.535 438 E N 0.609 120.602 120.200 -0.345 0.000 2.058 438 E HA -0.160 4.191 4.350 0.001 0.000 0.194 438 E C 2.579 178.826 176.600 -0.588 0.000 0.997 438 E CA 1.294 57.170 56.400 -0.873 0.000 0.801 438 E CB -0.039 29.202 29.700 -0.764 0.000 0.746 438 E HN 0.342 nan 8.360 nan 0.000 0.450 439 A N 1.052 123.681 122.820 -0.318 0.000 1.855 439 A HA -0.159 4.161 4.320 0.001 0.000 0.215 439 A C 2.159 179.638 177.584 -0.175 0.000 1.191 439 A CA 1.362 53.271 52.037 -0.213 0.000 0.613 439 A CB -0.787 18.120 19.000 -0.154 0.000 0.829 439 A HN 0.389 nan 8.150 nan 0.000 0.442 440 L N -0.045 121.086 121.223 -0.152 0.000 2.012 440 L HA -0.111 4.229 4.340 0.001 0.000 0.210 440 L C 2.667 179.478 176.870 -0.098 0.000 1.073 440 L CA 2.361 57.128 54.840 -0.122 0.000 0.748 440 L CB -0.962 41.035 42.059 -0.103 0.000 0.891 440 L HN 0.364 nan 8.230 nan 0.000 0.431 441 A N -0.590 122.196 122.820 -0.056 0.000 1.877 441 A HA -0.091 4.229 4.320 0.001 0.000 0.216 441 A C 2.350 179.968 177.584 0.056 0.000 1.186 441 A CA 1.633 53.706 52.037 0.060 0.000 0.620 441 A CB -1.619 17.548 19.000 0.279 0.000 0.822 441 A HN 0.539 nan 8.150 nan 0.000 0.443 442 G N -1.022 107.781 108.800 0.004 0.000 2.432 442 G HA2 -0.214 3.747 3.960 0.001 0.000 0.219 442 G HA3 -0.214 3.747 3.960 0.001 0.000 0.219 442 G C 1.617 176.513 174.900 -0.007 0.000 1.135 442 G CA 1.165 46.277 45.100 0.019 0.000 0.767 442 G HN 0.492 nan 8.290 nan 0.000 0.550 443 M N -0.055 119.502 119.600 -0.072 0.000 2.156 443 M HA 0.040 4.520 4.480 0.001 0.000 0.264 443 M C 2.470 178.663 176.300 -0.179 0.000 1.067 443 M CA 1.386 56.632 55.300 -0.090 0.000 1.131 443 M CB -0.015 32.507 32.600 -0.130 0.000 1.368 443 M HN 0.276 nan 8.290 nan 0.000 0.416 444 E N 0.216 120.238 120.200 -0.296 0.000 2.047 444 E HA -0.171 4.180 4.350 0.001 0.000 0.191 444 E C 2.018 178.353 176.600 -0.441 0.000 0.987 444 E CA 1.341 57.322 56.400 -0.699 0.000 0.799 444 E CB -0.193 29.183 29.700 -0.539 0.000 0.752 444 E HN 0.515 nan 8.360 nan 0.000 0.449 445 L N 0.176 121.350 121.223 -0.082 0.000 2.012 445 L HA -0.195 4.145 4.340 0.001 0.000 0.210 445 L C 2.480 179.400 176.870 0.084 0.000 1.073 445 L CA 1.263 56.144 54.840 0.068 0.000 0.748 445 L CB -0.480 41.650 42.059 0.117 0.000 0.891 445 L HN 0.137 nan 8.230 nan 0.000 0.431 446 F N 0.685 120.608 119.950 -0.044 0.000 2.060 446 F HA -0.207 4.321 4.527 0.001 0.000 0.295 446 F C 2.304 178.105 175.800 0.001 0.000 1.120 446 F CA 1.566 59.554 58.000 -0.020 0.000 1.205 446 F CB -0.100 38.870 39.000 -0.049 0.000 0.986 446 F HN -0.156 nan 8.300 nan 0.000 0.470 447 L N -0.939 120.248 121.223 -0.059 0.000 2.093 447 L HA -0.214 4.127 4.340 0.001 0.000 0.208 447 L C 2.448 179.348 176.870 0.049 0.000 1.085 447 L CA 0.806 55.596 54.840 -0.084 0.000 0.755 447 L CB -0.872 41.175 42.059 -0.018 0.000 0.904 447 L HN 0.136 nan 8.230 nan 0.000 0.435 448 F N 0.287 120.229 119.950 -0.013 0.000 2.113 448 F HA -0.139 4.388 4.527 0.001 0.000 0.297 448 F C 2.374 178.174 175.800 0.001 0.000 1.103 448 F CA 0.915 58.922 58.000 0.012 0.000 1.248 448 F CB -1.030 37.996 39.000 0.043 0.000 0.999 448 F HN -0.058 nan 8.300 nan 0.000 0.475 449 L N -0.309 121.021 121.223 0.178 0.000 2.056 449 L HA -0.200 4.140 4.340 0.001 0.000 0.207 449 L C 2.527 179.401 176.870 0.007 0.000 1.078 449 L CA 1.908 56.805 54.840 0.095 0.000 0.749 449 L CB -1.188 40.916 42.059 0.075 0.000 0.901 449 L HN 0.262 nan 8.230 nan 0.000 0.433 450 T N -4.648 109.807 114.554 -0.166 0.000 2.904 450 T HA -0.091 4.260 4.350 0.001 0.000 0.267 450 T C 1.998 176.659 174.700 -0.063 0.000 1.059 450 T CA 1.247 63.225 62.100 -0.203 0.000 1.137 450 T CB -0.211 68.358 68.868 -0.498 0.000 0.879 450 T HN 0.137 nan 8.240 nan 0.000 0.467 451 S N 1.396 117.093 115.700 -0.006 0.000 2.368 451 S HA 0.114 4.585 4.470 0.001 0.000 0.224 451 S C 1.941 176.602 174.600 0.100 0.000 1.029 451 S CA 1.025 59.256 58.200 0.052 0.000 0.988 451 S CB -0.442 62.822 63.200 0.108 0.000 0.838 451 S HN 0.490 nan 8.310 nan 0.000 0.462 452 I N 1.358 122.029 120.570 0.169 0.000 2.179 452 I HA -0.153 4.018 4.170 0.001 0.000 0.242 452 I C 1.863 178.169 176.117 0.315 0.000 1.088 452 I CA 1.156 62.645 61.300 0.315 0.000 1.357 452 I CB -0.301 37.877 38.000 0.295 0.000 1.051 452 I HN 0.216 nan 8.210 nan 0.000 0.409 453 L N 0.206 121.542 121.223 0.188 0.000 2.376 453 L HA -0.163 4.177 4.340 0.001 0.000 0.219 453 L C 2.522 179.443 176.870 0.084 0.000 1.133 453 L CA 0.796 55.726 54.840 0.149 0.000 0.816 453 L CB -0.468 41.658 42.059 0.111 0.000 0.933 453 L HN 0.408 nan 8.230 nan 0.000 0.449 454 Q N 0.243 120.067 119.800 0.040 0.000 2.187 454 Q HA -0.109 4.232 4.340 0.001 0.000 0.199 454 Q C 1.526 177.481 176.000 -0.076 0.000 0.957 454 Q CA 1.077 56.874 55.803 -0.011 0.000 0.857 454 Q CB 0.295 29.020 28.738 -0.022 0.000 0.929 454 Q HN 0.545 nan 8.270 nan 0.000 0.453 455 N N -1.200 117.402 118.700 -0.164 0.000 2.322 455 N HA 0.120 4.861 4.740 0.001 0.000 0.181 455 N C -0.712 174.399 175.510 -0.665 0.000 1.088 455 N CA 0.278 53.040 53.050 -0.480 0.000 0.885 455 N CB 0.742 38.780 38.487 -0.749 0.000 1.013 455 N HN 0.036 nan 8.380 nan 0.000 0.472 456 F N 0.380 120.392 119.950 0.103 0.000 2.613 456 F HA 0.421 4.949 4.527 0.001 0.000 0.314 456 F C 0.006 175.871 175.800 0.108 0.000 1.075 456 F CA -1.104 56.978 58.000 0.137 0.000 0.945 456 F CB 1.110 40.268 39.000 0.265 0.000 1.310 456 F HN -0.303 nan 8.300 nan 0.000 0.467 457 N N 1.409 120.289 118.700 0.300 0.000 2.370 457 N HA 0.579 5.320 4.740 0.001 0.000 0.303 457 N C -1.357 174.209 175.510 0.093 0.000 1.103 457 N CA -0.536 52.606 53.050 0.153 0.000 0.848 457 N CB 2.073 40.620 38.487 0.101 0.000 1.235 457 N HN 0.469 nan 8.380 nan 0.000 0.496 458 L N 1.247 122.476 121.223 0.010 0.000 2.272 458 L HA 0.455 4.795 4.340 0.001 0.000 0.289 458 L C 0.492 177.300 176.870 -0.105 0.000 1.032 458 L CA -0.523 54.245 54.840 -0.120 0.000 0.810 458 L CB 0.976 42.951 42.059 -0.140 0.000 1.205 458 L HN 0.261 nan 8.230 nan 0.000 0.422 459 K N 2.305 122.624 120.400 -0.135 0.000 2.274 459 K HA 0.437 4.757 4.320 0.001 0.000 0.262 459 K C -0.690 175.847 176.600 -0.104 0.000 0.961 459 K CA -0.339 55.895 56.287 -0.089 0.000 0.833 459 K CB 1.918 34.387 32.500 -0.052 0.000 1.102 459 K HN 0.530 nan 8.250 nan 0.000 0.436 460 S N 3.562 119.215 115.700 -0.078 0.000 2.554 460 S HA 0.266 4.736 4.470 0.001 0.000 0.278 460 S C 1.211 175.787 174.600 -0.040 0.000 1.242 460 S CA -0.817 57.345 58.200 -0.064 0.000 1.051 460 S CB 0.573 63.732 63.200 -0.069 0.000 0.986 460 S HN 0.627 nan 8.310 nan 0.000 0.502 461 L N 4.336 125.543 121.223 -0.027 0.000 2.068 461 L HA 0.193 4.534 4.340 0.001 0.000 0.204 461 L C 2.234 179.100 176.870 -0.006 0.000 1.076 461 L CA 0.615 55.448 54.840 -0.012 0.000 0.753 461 L CB -0.992 41.067 42.059 -0.001 0.000 0.910 461 L HN 0.532 nan 8.230 nan 0.000 0.439 462 V N 0.450 120.363 119.914 -0.003 0.000 3.041 462 V HA -0.079 4.042 4.120 0.001 0.000 0.260 462 V C -0.049 176.039 176.094 -0.011 0.000 1.105 462 V CA 1.276 63.576 62.300 0.000 0.000 1.125 462 V CB -1.039 30.791 31.823 0.012 0.000 0.730 462 V HN 0.970 nan 8.190 nan 0.000 0.479 463 D N -1.956 118.431 120.400 -0.023 0.000 10.353 463 D HA -0.138 4.503 4.640 0.001 0.000 0.299 463 D C -1.656 174.617 176.300 -0.044 0.000 2.968 463 D CA 0.417 54.400 54.000 -0.029 0.000 2.730 463 D CB -0.947 39.843 40.800 -0.017 0.000 1.136 463 D HN 0.203 nan 8.370 nan 0.000 0.868 464 P HA -0.282 nan 4.420 nan 0.000 0.212 464 P C 0.910 178.160 177.300 -0.082 0.000 1.178 464 P CA 1.679 64.724 63.100 -0.093 0.000 0.915 464 P CB -0.088 31.556 31.700 -0.093 0.000 0.788 465 K N -0.646 119.723 120.400 -0.051 0.000 2.442 465 K HA -0.139 4.181 4.320 0.001 0.000 0.200 465 K C 1.897 178.483 176.600 -0.023 0.000 1.045 465 K CA 0.816 57.084 56.287 -0.031 0.000 0.937 465 K CB -0.737 31.755 32.500 -0.012 0.000 0.757 465 K HN 0.360 nan 8.250 nan 0.000 0.474 466 N N 0.989 119.673 118.700 -0.027 0.000 2.387 466 N HA 0.018 4.759 4.740 0.001 0.000 0.176 466 N C 0.580 176.081 175.510 -0.016 0.000 1.022 466 N CA -0.094 52.947 53.050 -0.015 0.000 0.883 466 N CB 0.382 38.863 38.487 -0.008 0.000 1.019 466 N HN 0.144 nan 8.380 nan 0.000 0.435 467 L N 0.601 121.803 121.223 -0.036 0.000 2.371 467 L HA 0.439 4.779 4.340 0.001 0.000 0.272 467 L C -0.624 176.222 176.870 -0.039 0.000 1.124 467 L CA -0.554 54.264 54.840 -0.036 0.000 0.816 467 L CB 1.119 43.145 42.059 -0.055 0.000 1.129 467 L HN -0.114 nan 8.230 nan 0.000 0.448 468 D N 1.495 121.891 120.400 -0.007 0.000 2.225 468 D HA 0.250 4.891 4.640 0.001 0.000 0.248 468 D C 0.864 177.182 176.300 0.031 0.000 1.096 468 D CA -0.117 53.896 54.000 0.021 0.000 0.863 468 D CB 1.650 42.476 40.800 0.044 0.000 1.156 468 D HN 0.782 nan 8.370 nan 0.000 0.450 469 T N -0.460 114.143 114.554 0.081 0.000 3.054 469 T HA 0.130 4.481 4.350 0.001 0.000 0.255 469 T C 0.423 175.340 174.700 0.360 0.000 1.035 469 T CA -0.378 61.831 62.100 0.182 0.000 0.941 469 T CB -0.232 68.717 68.868 0.135 0.000 1.026 469 T HN 0.287 nan 8.240 nan 0.000 0.533 470 T N 5.048 119.754 114.554 0.253 0.000 2.867 470 T HA 0.286 4.636 4.350 0.001 0.000 0.297 470 T C -2.471 172.362 174.700 0.222 0.000 0.989 470 T CA -0.654 61.582 62.100 0.226 0.000 1.159 470 T CB 0.559 69.512 68.868 0.141 0.000 0.928 470 T HN 0.220 nan 8.240 nan 0.000 0.538 471 P HA 0.160 nan 4.420 nan 0.000 0.266 471 P C -0.796 176.578 177.300 0.123 0.000 1.195 471 P CA -0.285 62.959 63.100 0.240 0.000 0.768 471 P CB 0.419 32.217 31.700 0.164 0.000 0.838 472 V N 4.467 124.441 119.914 0.100 0.000 2.394 472 V HA 0.298 4.419 4.120 0.001 0.000 0.282 472 V C 0.210 176.334 176.094 0.049 0.000 1.031 472 V CA -0.465 61.869 62.300 0.058 0.000 0.881 472 V CB 1.653 33.502 31.823 0.043 0.000 0.982 472 V HN 0.245 nan 8.190 nan 0.000 0.451 473 V N 3.181 123.111 119.914 0.027 0.000 2.555 473 V HA 0.559 4.679 4.120 0.001 0.000 0.302 473 V C -0.210 175.874 176.094 -0.017 0.000 1.038 473 V CA -0.763 61.541 62.300 0.007 0.000 0.887 473 V CB 1.639 33.456 31.823 -0.009 0.000 0.991 473 V HN 0.905 nan 8.190 nan 0.000 0.434 474 N N 2.642 121.326 118.700 -0.028 0.000 2.727 474 N HA 0.537 5.278 4.740 0.001 0.000 0.252 474 N C 0.549 176.007 175.510 -0.086 0.000 1.283 474 N CA 0.325 53.348 53.050 -0.044 0.000 0.782 474 N CB 1.494 39.974 38.487 -0.010 0.000 1.199 474 N HN 1.205 nan 8.380 nan 0.000 0.520 475 G N 1.148 109.840 108.800 -0.181 0.000 3.597 475 G HA2 -0.280 3.680 3.960 0.001 0.000 0.256 475 G HA3 -0.280 3.680 3.960 0.001 0.000 0.256 475 G C -0.215 174.372 174.900 -0.521 0.000 1.792 475 G CA -0.190 44.714 45.100 -0.327 0.000 1.219 475 G HN 0.353 nan 8.290 nan 0.000 0.577 476 F N 2.811 122.713 119.950 -0.081 0.000 2.777 476 F HA 0.777 5.304 4.527 0.001 0.000 0.361 476 F C 0.654 176.414 175.800 -0.067 0.000 1.254 476 F CA 0.122 58.068 58.000 -0.090 0.000 1.181 476 F CB 1.465 40.375 39.000 -0.151 0.000 1.082 476 F HN 0.955 nan 8.300 nan 0.000 0.510 477 A N -0.426 122.454 122.820 0.101 0.000 2.517 477 A HA 0.744 5.064 4.320 0.001 0.000 0.297 477 A C -0.611 177.004 177.584 0.050 0.000 1.050 477 A CA -0.512 51.565 52.037 0.067 0.000 0.694 477 A CB 1.050 20.084 19.000 0.056 0.000 1.277 477 A HN -0.036 nan 8.150 nan 0.000 0.400 478 S N 0.112 115.848 115.700 0.059 0.000 2.578 478 S HA 0.768 5.239 4.470 0.001 0.000 0.283 478 S C 0.044 174.719 174.600 0.125 0.000 1.195 478 S CA -0.151 58.100 58.200 0.085 0.000 1.050 478 S CB 1.428 64.681 63.200 0.088 0.000 1.012 478 S HN 1.827 nan 8.310 nan 0.000 0.511 479 V N -0.179 119.812 119.914 0.128 0.000 3.159 479 V HA 0.822 4.942 4.120 0.001 0.000 0.308 479 V C -3.001 173.076 176.094 -0.028 0.000 1.190 479 V CA -2.619 59.730 62.300 0.082 0.000 1.037 479 V CB 1.964 33.809 31.823 0.036 0.000 1.060 479 V HN 0.662 nan 8.190 nan 0.000 0.437 480 P HA 0.540 nan 4.420 nan 0.000 0.283 480 P C -2.820 174.350 177.300 -0.218 0.000 1.271 480 P CA -1.783 60.914 63.100 -0.671 0.000 0.841 480 P CB 0.883 31.836 31.700 -1.245 0.000 1.122 481 P HA 0.203 nan 4.420 nan 0.000 0.276 481 P C -0.316 177.053 177.300 0.116 0.000 1.261 481 P CA -0.345 62.775 63.100 0.033 0.000 0.800 481 P CB 0.458 32.187 31.700 0.049 0.000 1.066 482 F N 2.195 122.160 119.950 0.026 0.000 2.506 482 F HA 0.287 4.814 4.527 0.001 0.000 0.351 482 F C -0.108 175.754 175.800 0.104 0.000 1.136 482 F CA 0.732 58.739 58.000 0.011 0.000 1.298 482 F CB 0.165 39.149 39.000 -0.026 0.000 1.145 482 F HN 0.408 nan 8.300 nan 0.000 0.593 483 Y N 2.006 121.721 120.300 -0.976 0.000 2.702 483 Y HA 0.538 5.088 4.550 0.001 0.000 0.336 483 Y C -1.934 173.525 175.900 -0.735 0.000 1.203 483 Y CA -1.414 56.322 58.100 -0.606 0.000 1.072 483 Y CB 0.759 39.033 38.460 -0.310 0.000 1.327 483 Y HN 0.631 nan 8.280 nan 0.000 0.456 484 Q N 2.456 122.041 119.800 -0.358 0.000 2.484 484 Q HA 0.877 5.217 4.340 0.001 0.000 0.285 484 Q C -1.458 174.493 176.000 -0.082 0.000 1.097 484 Q CA -1.247 54.367 55.803 -0.315 0.000 0.802 484 Q CB 3.633 32.278 28.738 -0.155 0.000 1.444 484 Q HN 0.850 nan 8.270 nan 0.000 0.429 485 L N -3.009 118.129 121.223 -0.141 0.000 2.838 485 L HA 0.808 5.149 4.340 0.001 0.000 0.266 485 L C -1.733 174.978 176.870 -0.265 0.000 1.040 485 L CA -0.981 53.746 54.840 -0.189 0.000 0.906 485 L CB 1.743 43.650 42.059 -0.253 0.000 1.501 485 L HN 0.705 nan 8.230 nan 0.000 0.407 486 C N 0.707 119.829 119.300 -0.297 0.000 2.379 486 C HA 0.658 5.118 4.460 0.001 0.000 0.323 486 C C -0.479 174.306 174.990 -0.342 0.000 1.262 486 C CA -0.295 58.597 59.018 -0.211 0.000 1.581 486 C CB 0.722 28.417 27.740 -0.075 0.000 2.221 486 C HN 0.559 nan 8.230 nan 0.000 0.497 487 F N 3.423 123.293 119.950 -0.133 0.000 2.334 487 F HA 0.439 4.966 4.527 0.001 0.000 0.365 487 F C 0.553 176.360 175.800 0.011 0.000 1.124 487 F CA -0.234 57.631 58.000 -0.225 0.000 1.166 487 F CB 0.117 38.637 39.000 -0.801 0.000 1.355 487 F HN 0.352 nan 8.300 nan 0.000 0.532 488 I N 5.536 126.261 120.570 0.259 0.000 2.312 488 I HA 0.239 4.409 4.170 0.001 0.000 0.291 488 I C -2.184 174.164 176.117 0.386 0.000 1.031 488 I CA -2.088 59.373 61.300 0.269 0.000 1.293 488 I CB 0.812 38.894 38.000 0.136 0.000 1.403 488 I HN 0.229 nan 8.210 nan 0.000 0.484 489 P HA -0.032 nan 4.420 nan 0.000 0.266 489 P C -0.101 177.244 177.300 0.076 0.000 1.195 489 P CA -0.131 63.071 63.100 0.170 0.000 0.768 489 P CB 0.497 32.270 31.700 0.122 0.000 0.838 490 V N 0.000 119.910 119.914 -0.007 0.000 2.409 490 V HA 0.000 4.120 4.120 0.001 0.000 0.244 490 V CA 0.000 62.303 62.300 0.005 0.000 1.235 490 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 490 V HN 0.000 nan 8.190 nan 0.000 0.556