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 3clq_1_C DATA FIRST_RESID 54 DATA SEQUENCE SNAPTLYEKI QQANEEAVTR IIQSKPILVG FDKAINVXPD XTETTILHAG DATA SEQUENCE PPITYENXCG PXKGAVQGAL VFEGLAKDLA DADRVARSGA ITFSPCHEHD DATA SEQUENCE AVGSXAGVTS PNXYVHIIKN ETYGNTAFTN LSEQLAKVLR FGANDQSVVD DATA SEQUENCE RLIWXRDVLG PLLHDAXTFC PEGIDLRLXL SQALHXGDEC HNRNVAGSTL DATA SEQUENCE LVQALTPYXV QTDFSREQLK EVFEFLGSSD YFSGPTWXGA AKCALDAGHN DATA SEQUENCE VENSTIVTTX CRNGVEFGIR VSGIGGNHWF TGPAQRVIGP XFAGYTQEDA DATA SEQUENCE GLDXGDSAIT ETYGVGGFAX AAAPAIVPLV GGTVAEALNY SKEXLEITTK DATA SEQUENCE ENPNVTIPVL DFXGIPTGID VLKVLETGXL PVINTAIAHK EPGIGXIGAG DATA SEQUENCE LTNPPANVFN EALKALVATI N 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 54 S HA 0.000 nan 4.470 nan 0.000 0.327 54 S C 0.000 174.605 174.600 0.008 0.000 1.055 54 S CA 0.000 58.204 58.200 0.007 0.000 1.107 54 S CB 0.000 63.204 63.200 0.007 0.000 0.593 55 N N 1.285 119.989 118.700 0.007 0.000 2.336 55 N HA 0.146 4.886 4.740 0.000 0.000 0.189 55 N C 0.807 176.323 175.510 0.009 0.000 1.113 55 N CA 0.110 53.164 53.050 0.008 0.000 0.858 55 N CB 0.501 38.992 38.487 0.007 0.000 0.970 55 N HN 0.713 nan 8.380 nan 0.000 0.471 56 A N 2.277 125.103 122.820 0.010 0.000 2.346 56 A HA 0.374 4.694 4.320 0.000 0.000 0.255 56 A C -2.033 175.559 177.584 0.013 0.000 1.113 56 A CA -0.661 51.382 52.037 0.010 0.000 0.798 56 A CB -0.444 18.562 19.000 0.009 0.000 1.073 56 A HN -0.014 nan 8.150 nan 0.000 0.502 57 P HA 0.346 nan 4.420 nan 0.000 0.292 57 P C -0.151 177.162 177.300 0.023 0.000 1.287 57 P CA -0.195 62.915 63.100 0.016 0.000 0.800 57 P CB 0.977 32.682 31.700 0.009 0.000 0.945 58 T N 0.164 114.739 114.554 0.036 0.000 2.816 58 T HA 0.167 4.517 4.350 0.000 0.000 0.282 58 T C 1.335 176.071 174.700 0.059 0.000 0.993 58 T CA -0.648 61.482 62.100 0.050 0.000 0.994 58 T CB 0.309 69.219 68.868 0.069 0.000 1.025 58 T HN -0.025 nan 8.240 nan 0.000 0.529 59 L N 0.140 121.404 121.223 0.068 0.000 2.127 59 L HA 0.023 4.363 4.340 0.000 0.000 0.211 59 L C 2.242 179.173 176.870 0.101 0.000 1.089 59 L CA 1.642 56.524 54.840 0.070 0.000 0.757 59 L CB -1.685 40.416 42.059 0.069 0.000 0.899 59 L HN 0.815 nan 8.230 nan 0.000 0.434 60 Y N 0.240 120.540 120.300 -0.001 0.000 2.286 60 Y HA -0.137 4.413 4.550 0.000 0.000 0.293 60 Y C 2.504 178.404 175.900 0.001 0.000 1.124 60 Y CA 1.286 59.386 58.100 -0.000 0.000 1.178 60 Y CB 0.069 38.529 38.460 -0.001 0.000 1.010 60 Y HN 0.254 nan 8.280 nan 0.000 0.536 61 E N 0.036 120.275 120.200 0.065 0.000 2.085 61 E HA -0.260 4.090 4.350 0.000 0.000 0.194 61 E C 2.054 178.617 176.600 -0.061 0.000 0.994 61 E CA 1.647 58.041 56.400 -0.010 0.000 0.801 61 E CB -0.076 29.641 29.700 0.029 0.000 0.743 61 E HN 0.369 nan 8.360 nan 0.000 0.453 62 K N 0.172 120.549 120.400 -0.038 0.000 2.097 62 K HA -0.110 4.210 4.320 0.000 0.000 0.206 62 K C 1.974 178.525 176.600 -0.081 0.000 1.049 62 K CA 0.967 57.228 56.287 -0.044 0.000 0.933 62 K CB 0.021 32.507 32.500 -0.022 0.000 0.717 62 K HN 0.137 nan 8.250 nan 0.000 0.442 63 I N 0.583 121.073 120.570 -0.133 0.000 2.406 63 I HA -0.226 3.944 4.170 0.000 0.000 0.249 63 I C 2.167 178.155 176.117 -0.215 0.000 1.122 63 I CA 0.742 61.940 61.300 -0.170 0.000 1.431 63 I CB -0.066 37.809 38.000 -0.209 0.000 1.087 63 I HN 0.149 nan 8.210 nan 0.000 0.424 64 Q N 0.430 120.050 119.800 -0.301 0.000 2.119 64 Q HA -0.251 4.089 4.340 0.000 0.000 0.201 64 Q C 2.028 177.952 176.000 -0.128 0.000 0.972 64 Q CA 1.453 57.106 55.803 -0.250 0.000 0.847 64 Q CB -0.460 28.114 28.738 -0.273 0.000 0.903 64 Q HN 0.602 nan 8.270 nan 0.000 0.433 65 Q N -0.039 119.701 119.800 -0.101 0.000 2.119 65 Q HA -0.062 4.278 4.340 0.000 0.000 0.201 65 Q C 1.806 177.774 176.000 -0.053 0.000 0.972 65 Q CA 1.374 57.141 55.803 -0.060 0.000 0.847 65 Q CB -0.037 28.675 28.738 -0.043 0.000 0.903 65 Q HN 0.299 nan 8.270 nan 0.000 0.433 66 A N 0.779 123.562 122.820 -0.061 0.000 1.968 66 A HA -0.140 4.180 4.320 0.000 0.000 0.217 66 A C 1.715 179.272 177.584 -0.046 0.000 1.169 66 A CA 1.326 53.333 52.037 -0.050 0.000 0.638 66 A CB -0.421 18.549 19.000 -0.050 0.000 0.812 66 A HN 0.436 nan 8.150 nan 0.000 0.446 67 N N -0.160 118.506 118.700 -0.056 0.000 2.216 67 N HA -0.112 4.628 4.740 0.000 0.000 0.183 67 N C 1.671 177.162 175.510 -0.031 0.000 1.017 67 N CA 1.467 54.492 53.050 -0.042 0.000 0.861 67 N CB -0.300 38.154 38.487 -0.053 0.000 0.986 67 N HN 0.651 nan 8.380 nan 0.000 0.428 68 E N 1.494 121.673 120.200 -0.035 0.000 2.077 68 E HA -0.199 4.151 4.350 0.000 0.000 0.193 68 E C 1.811 178.402 176.600 -0.015 0.000 0.989 68 E CA 1.393 57.780 56.400 -0.021 0.000 0.800 68 E CB -0.135 29.552 29.700 -0.021 0.000 0.746 68 E HN 0.554 nan 8.360 nan 0.000 0.452 69 E N -0.207 119.979 120.200 -0.023 0.000 2.046 69 E HA -0.127 4.224 4.350 0.000 0.000 0.190 69 E C 2.020 178.597 176.600 -0.039 0.000 0.982 69 E CA 1.219 57.603 56.400 -0.025 0.000 0.800 69 E CB -0.413 29.269 29.700 -0.030 0.000 0.756 69 E HN 0.257 nan 8.360 nan 0.000 0.449 70 A N 1.108 123.905 122.820 -0.038 0.000 1.883 70 A HA -0.146 4.174 4.320 0.000 0.000 0.217 70 A C 2.527 180.097 177.584 -0.024 0.000 1.186 70 A CA 1.611 53.625 52.037 -0.038 0.000 0.624 70 A CB -1.045 17.945 19.000 -0.017 0.000 0.822 70 A HN 0.289 nan 8.150 nan 0.000 0.444 71 V N -0.363 119.545 119.914 -0.009 0.000 2.427 71 V HA -0.180 3.940 4.120 0.000 0.000 0.248 71 V C 2.589 178.691 176.094 0.013 0.000 1.051 71 V CA 2.791 65.092 62.300 0.002 0.000 1.048 71 V CB -0.818 31.006 31.823 0.002 0.000 0.666 71 V HN 0.642 nan 8.190 nan 0.000 0.456 72 T N 0.093 114.656 114.554 0.015 0.000 2.720 72 T HA -0.229 4.121 4.350 0.000 0.000 0.268 72 T C 1.933 176.680 174.700 0.078 0.000 1.037 72 T CA 1.963 64.089 62.100 0.044 0.000 1.144 72 T CB -0.259 68.635 68.868 0.043 0.000 0.864 72 T HN 0.510 nan 8.240 nan 0.000 0.444 73 R N 0.169 120.672 120.500 0.006 0.000 2.092 73 R HA 0.084 4.424 4.340 0.000 0.000 0.231 73 R C 2.405 178.745 176.300 0.067 0.000 1.119 73 R CA 1.025 57.082 56.100 -0.070 0.000 0.970 73 R CB -0.434 29.615 30.300 -0.418 0.000 0.864 73 R HN 0.395 nan 8.270 nan 0.000 0.440 74 I N 0.458 121.060 120.570 0.054 0.000 2.179 74 I HA -0.271 3.899 4.170 0.000 0.000 0.242 74 I C 1.829 178.041 176.117 0.158 0.000 1.088 74 I CA 0.988 62.356 61.300 0.115 0.000 1.357 74 I CB -0.154 37.889 38.000 0.072 0.000 1.051 74 I HN 0.066 nan 8.210 nan 0.000 0.409 75 I N 0.348 120.977 120.570 0.099 0.000 2.226 75 I HA -0.263 3.907 4.170 0.000 0.000 0.245 75 I C 2.301 178.498 176.117 0.134 0.000 1.100 75 I CA 1.609 62.961 61.300 0.087 0.000 1.374 75 I CB -1.182 36.849 38.000 0.052 0.000 1.057 75 I HN 0.345 nan 8.210 nan 0.000 0.413 76 Q N -0.282 119.622 119.800 0.173 0.000 2.403 76 Q HA 0.110 4.450 4.340 0.000 0.000 0.203 76 Q C 0.644 176.745 176.000 0.167 0.000 0.932 76 Q CA -0.092 55.806 55.803 0.160 0.000 0.945 76 Q CB 0.216 29.058 28.738 0.174 0.000 1.045 76 Q HN 0.283 nan 8.270 nan 0.000 0.511 77 S N 1.491 117.349 115.700 0.262 0.000 2.549 77 S HA 0.047 4.517 4.470 0.000 0.000 0.286 77 S C 0.123 174.790 174.600 0.111 0.000 1.314 77 S CA 0.335 58.668 58.200 0.221 0.000 1.062 77 S CB 0.410 63.754 63.200 0.239 0.000 0.865 77 S HN 0.129 nan 8.310 nan 0.000 0.498 78 K N 3.959 124.384 120.400 0.043 0.000 2.679 78 K HA 0.314 4.634 4.320 0.000 0.000 0.188 78 K C -2.858 173.740 176.600 -0.003 0.000 1.055 78 K CA -2.081 54.216 56.287 0.016 0.000 1.006 78 K CB 0.591 33.081 32.500 -0.017 0.000 1.317 78 K HN 0.266 nan 8.250 nan 0.000 0.584 79 P HA 0.076 nan 4.420 nan 0.000 0.271 79 P C -0.688 176.588 177.300 -0.039 0.000 1.216 79 P CA -0.136 62.939 63.100 -0.041 0.000 0.771 79 P CB 0.663 32.321 31.700 -0.069 0.000 0.864 80 I N 3.548 124.080 120.570 -0.063 0.000 2.499 80 I HA 0.221 4.391 4.170 0.000 0.000 0.288 80 I C -0.221 175.838 176.117 -0.097 0.000 1.048 80 I CA -1.006 60.260 61.300 -0.058 0.000 1.062 80 I CB 1.730 39.697 38.000 -0.055 0.000 1.238 80 I HN 0.230 nan 8.210 nan 0.000 0.426 81 L N 8.507 129.672 121.223 -0.096 0.000 2.283 81 L HA 0.293 4.633 4.340 0.000 0.000 0.287 81 L C 0.712 177.477 176.870 -0.176 0.000 1.073 81 L CA 0.284 55.028 54.840 -0.161 0.000 0.822 81 L CB 0.910 42.878 42.059 -0.151 0.000 1.186 81 L HN 0.513 nan 8.230 nan 0.000 0.436 82 V N 2.154 121.946 119.914 -0.202 0.000 3.621 82 V HA 0.779 4.899 4.120 0.000 0.000 0.263 82 V C 0.713 176.696 176.094 -0.186 0.000 1.272 82 V CA 0.590 62.792 62.300 -0.164 0.000 1.080 82 V CB -0.439 31.310 31.823 -0.122 0.000 0.816 82 V HN 0.904 nan 8.190 nan 0.000 0.451 83 G N -0.596 108.034 108.800 -0.284 0.000 2.495 83 G HA2 0.597 4.558 3.960 0.000 0.000 0.294 83 G HA3 0.597 4.558 3.960 0.000 0.000 0.294 83 G C -1.979 172.674 174.900 -0.412 0.000 1.397 83 G CA -0.697 44.275 45.100 -0.215 0.000 0.790 83 G HN 0.096 nan 8.290 nan 0.000 0.486 84 F N -0.176 119.855 119.950 0.134 0.000 2.588 84 F HA 0.792 5.319 4.527 0.000 0.000 0.314 84 F C -0.280 175.694 175.800 0.291 0.000 1.069 84 F CA -0.535 57.572 58.000 0.178 0.000 0.931 84 F CB 3.076 42.162 39.000 0.144 0.000 1.260 84 F HN 0.470 nan 8.300 nan 0.000 0.465 85 D N 0.469 121.096 120.400 0.378 0.000 2.694 85 D HA 0.196 4.836 4.640 0.000 0.000 0.260 85 D C -1.427 174.626 176.300 -0.412 0.000 1.250 85 D CA -0.791 53.215 54.000 0.010 0.000 0.763 85 D CB 2.118 42.936 40.800 0.030 0.000 1.311 85 D HN 0.391 nan 8.370 nan 0.000 0.420 86 K N 0.781 120.680 120.400 -0.833 0.000 2.448 86 K HA 0.365 4.685 4.320 0.000 0.000 0.278 86 K C 1.034 177.437 176.600 -0.329 0.000 1.009 86 K CA 0.278 56.146 56.287 -0.697 0.000 0.995 86 K CB 0.855 33.006 32.500 -0.583 0.000 0.917 86 K HN 0.419 nan 8.250 nan 0.000 0.481 87 A N 4.248 126.927 122.820 -0.235 0.000 1.927 87 A HA -0.213 4.107 4.320 0.000 0.000 0.220 87 A C 1.909 179.349 177.584 -0.240 0.000 1.185 87 A CA 1.453 53.357 52.037 -0.222 0.000 0.639 87 A CB -0.444 18.455 19.000 -0.167 0.000 0.820 87 A HN 0.762 nan 8.150 nan 0.000 0.451 88 I N 0.384 120.835 120.570 -0.199 0.000 2.454 88 I HA -0.155 4.015 4.170 0.000 0.000 0.254 88 I C 1.212 177.232 176.117 -0.162 0.000 1.156 88 I CA 1.399 62.597 61.300 -0.170 0.000 1.433 88 I CB -1.097 36.817 38.000 -0.143 0.000 1.082 88 I HN 0.262 nan 8.210 nan 0.000 0.432 89 N N -0.448 118.147 118.700 -0.175 0.000 2.446 89 N HA 0.020 4.760 4.740 0.000 0.000 0.179 89 N C 0.511 175.955 175.510 -0.110 0.000 1.054 89 N CA 0.305 53.273 53.050 -0.136 0.000 0.905 89 N CB 0.765 39.163 38.487 -0.148 0.000 0.973 89 N HN 0.174 nan 8.380 nan 0.000 0.448 96 E N 0.556 120.704 120.200 -0.087 0.000 2.478 96 E HA 0.048 4.398 4.350 0.000 0.000 0.198 96 E C 0.744 177.281 176.600 -0.105 0.000 1.046 96 E CA 1.119 57.462 56.400 -0.095 0.000 0.870 96 E CB -0.293 29.355 29.700 -0.086 0.000 0.818 96 E HN 0.781 nan 8.360 nan 0.000 0.527 97 T N -1.199 113.289 114.554 -0.111 0.000 3.331 97 T HA 0.163 4.513 4.350 0.000 0.000 0.282 97 T C 0.131 174.728 174.700 -0.172 0.000 1.010 97 T CA -0.522 61.496 62.100 -0.135 0.000 0.928 97 T CB 0.537 69.331 68.868 -0.125 0.000 1.154 97 T HN -0.203 nan 8.240 nan 0.000 0.516 98 T N 2.385 116.844 114.554 -0.158 0.000 2.829 98 T HA 0.687 5.037 4.350 0.000 0.000 0.282 98 T C -0.456 174.137 174.700 -0.179 0.000 0.990 98 T CA -0.432 61.561 62.100 -0.178 0.000 1.028 98 T CB 1.147 69.917 68.868 -0.163 0.000 0.951 98 T HN 0.326 nan 8.240 nan 0.000 0.460 99 I N 3.382 123.843 120.570 -0.183 0.000 2.499 99 I HA 0.391 4.561 4.170 0.000 0.000 0.288 99 I C -0.678 175.487 176.117 0.079 0.000 1.048 99 I CA -0.759 60.505 61.300 -0.059 0.000 1.062 99 I CB 1.606 39.584 38.000 -0.037 0.000 1.238 99 I HN 0.331 nan 8.210 nan 0.000 0.426 100 L N 6.097 127.341 121.223 0.035 0.000 2.360 100 L HA 0.579 4.919 4.340 0.000 0.000 0.271 100 L C -0.639 176.306 176.870 0.125 0.000 1.057 100 L CA -0.758 54.090 54.840 0.014 0.000 0.803 100 L CB 1.384 43.377 42.059 -0.109 0.000 1.207 100 L HN 0.676 nan 8.230 nan 0.000 0.445 101 H N -0.314 118.786 119.070 0.051 0.000 2.985 101 H HA 0.768 5.324 4.556 0.000 0.000 0.360 101 H C -0.749 174.573 175.328 -0.010 0.000 1.221 101 H CA -0.943 55.119 56.048 0.023 0.000 1.121 101 H CB 1.205 30.980 29.762 0.022 0.000 1.854 101 H HN 0.669 nan 8.280 nan 0.000 0.551 102 A N 0.916 123.763 122.820 0.045 0.000 2.366 102 A HA 0.603 4.923 4.320 0.000 0.000 0.249 102 A C 1.143 178.731 177.584 0.006 0.000 1.084 102 A CA 0.456 52.486 52.037 -0.012 0.000 0.794 102 A CB -0.918 18.078 19.000 -0.007 0.000 1.034 102 A HN 1.823 nan 8.150 nan 0.000 0.491 103 G N 0.615 109.379 108.800 -0.059 0.000 2.782 103 G HA2 -0.068 3.892 3.960 0.000 0.000 0.228 103 G HA3 -0.068 3.892 3.960 0.000 0.000 0.228 103 G C -2.663 171.991 174.900 -0.410 0.000 1.372 103 G CA -0.348 44.640 45.100 -0.187 0.000 0.862 103 G HN 0.889 nan 8.290 nan 0.000 0.547 104 P HA 0.271 nan 4.420 nan 0.000 0.270 104 P C -2.460 174.520 177.300 -0.533 0.000 1.227 104 P CA -0.682 61.815 63.100 -1.005 0.000 0.788 104 P CB -0.474 30.856 31.700 -0.616 0.000 0.926 105 P HA 0.200 nan 4.420 nan 0.000 0.265 105 P C -0.166 177.076 177.300 -0.098 0.000 1.187 105 P CA 0.744 63.757 63.100 -0.146 0.000 0.766 105 P CB 0.277 31.913 31.700 -0.106 0.000 0.820 106 I N 0.474 121.004 120.570 -0.068 0.000 2.842 106 I HA 0.338 4.508 4.170 0.000 0.000 0.297 106 I C -0.314 175.685 176.117 -0.196 0.000 1.380 106 I CA -0.589 60.614 61.300 -0.161 0.000 1.018 106 I CB 2.178 40.036 38.000 -0.236 0.000 1.311 106 I HN 0.361 nan 8.210 nan 0.000 0.439 107 T N 2.552 117.011 114.554 -0.158 0.000 2.816 107 T HA 0.187 4.537 4.350 0.000 0.000 0.282 107 T C 0.846 175.366 174.700 -0.300 0.000 0.993 107 T CA 0.161 62.178 62.100 -0.139 0.000 0.994 107 T CB 0.875 69.720 68.868 -0.038 0.000 1.025 107 T HN 0.650 nan 8.240 nan 0.000 0.529 108 Y N 1.552 121.575 120.300 -0.462 0.000 2.114 108 Y HA -0.069 4.481 4.550 0.000 0.000 0.284 108 Y C 2.285 178.004 175.900 -0.301 0.000 1.143 108 Y CA 2.142 59.885 58.100 -0.594 0.000 1.135 108 Y CB -0.601 37.554 38.460 -0.509 0.000 0.980 108 Y HN 0.778 nan 8.280 nan 0.000 0.499 109 E N 0.666 120.731 120.200 -0.225 0.000 2.401 109 E HA -0.087 4.263 4.350 0.000 0.000 0.199 109 E C 0.313 176.751 176.600 -0.271 0.000 1.023 109 E CA 0.576 56.839 56.400 -0.228 0.000 0.859 109 E CB -0.321 29.363 29.700 -0.025 0.000 0.780 109 E HN 0.360 nan 8.360 nan 0.000 0.523 113 G N 1.796 110.546 108.800 -0.083 0.000 2.783 113 G HA2 -0.092 3.869 3.960 0.000 0.000 0.225 113 G HA3 -0.092 3.869 3.960 0.000 0.000 0.225 113 G C -1.338 173.551 174.900 -0.017 0.000 1.191 113 G CA 2.101 47.173 45.100 -0.047 0.000 0.774 113 G HN 0.818 nan 8.290 nan 0.000 0.632 117 G N 1.832 110.680 108.800 0.081 0.000 2.421 117 G HA2 -0.220 3.740 3.960 0.000 0.000 0.216 117 G HA3 -0.220 3.740 3.960 0.000 0.000 0.216 117 G C 1.547 176.507 174.900 0.100 0.000 1.171 117 G CA 1.509 46.664 45.100 0.092 0.000 0.775 117 G HN 0.328 nan 8.290 nan 0.000 0.543 118 A N 0.537 123.410 122.820 0.089 0.000 1.883 118 A HA -0.032 4.288 4.320 0.000 0.000 0.217 118 A C 2.756 180.411 177.584 0.118 0.000 1.186 118 A CA 2.894 54.983 52.037 0.086 0.000 0.624 118 A CB -0.993 18.045 19.000 0.064 0.000 0.822 118 A HN 1.047 nan 8.150 nan 0.000 0.444 119 V N -1.642 118.366 119.914 0.157 0.000 2.427 119 V HA -0.298 3.822 4.120 0.000 0.000 0.248 119 V C 2.065 178.262 176.094 0.171 0.000 1.051 119 V CA 2.392 64.819 62.300 0.212 0.000 1.048 119 V CB -1.129 30.900 31.823 0.342 0.000 0.666 119 V HN 0.653 nan 8.190 nan 0.000 0.456 120 Q N 0.993 120.887 119.800 0.156 0.000 2.124 120 Q HA -0.045 4.295 4.340 0.000 0.000 0.202 120 Q C 2.381 178.445 176.000 0.107 0.000 0.977 120 Q CA 1.766 57.639 55.803 0.117 0.000 0.850 120 Q CB -0.645 28.162 28.738 0.115 0.000 0.901 120 Q HN 0.772 nan 8.270 nan 0.000 0.429 121 G N 1.233 110.100 108.800 0.111 0.000 2.453 121 G HA2 -0.247 3.713 3.960 0.000 0.000 0.215 121 G HA3 -0.247 3.713 3.960 0.000 0.000 0.215 121 G C 1.574 176.563 174.900 0.149 0.000 1.201 121 G CA 0.976 46.143 45.100 0.110 0.000 0.784 121 G HN 0.425 nan 8.290 nan 0.000 0.545 122 A N 0.156 123.066 122.820 0.149 0.000 1.997 122 A HA -0.061 4.259 4.320 0.000 0.000 0.221 122 A C 2.367 180.069 177.584 0.196 0.000 1.172 122 A CA 1.694 53.855 52.037 0.206 0.000 0.645 122 A CB -0.384 18.712 19.000 0.161 0.000 0.813 122 A HN 0.319 nan 8.150 nan 0.000 0.454 123 L N -0.662 120.635 121.223 0.122 0.000 2.072 123 L HA -0.084 4.256 4.340 0.000 0.000 0.205 123 L C 2.660 179.565 176.870 0.059 0.000 1.079 123 L CA 1.436 56.313 54.840 0.062 0.000 0.752 123 L CB -1.074 41.006 42.059 0.035 0.000 0.906 123 L HN 0.242 nan 8.230 nan 0.000 0.436 124 V N -0.891 119.078 119.914 0.092 0.000 2.307 124 V HA -0.296 3.825 4.120 0.000 0.000 0.245 124 V C 2.327 178.488 176.094 0.110 0.000 1.045 124 V CA 1.538 63.889 62.300 0.084 0.000 1.024 124 V CB -0.831 31.049 31.823 0.094 0.000 0.651 124 V HN 0.343 nan 8.190 nan 0.000 0.449 125 F N 1.768 121.732 119.950 0.022 0.000 2.120 125 F HA -0.196 4.331 4.527 0.000 0.000 0.300 125 F C 2.229 178.035 175.800 0.011 0.000 1.095 125 F CA 1.841 59.856 58.000 0.025 0.000 1.249 125 F CB -0.252 38.770 39.000 0.036 0.000 0.995 125 F HN 0.146 nan 8.300 nan 0.000 0.480 126 E N 0.749 120.831 120.200 -0.197 0.000 2.526 126 E HA 0.067 4.417 4.350 0.000 0.000 0.198 126 E C 1.587 178.059 176.600 -0.214 0.000 1.091 126 E CA 0.714 56.935 56.400 -0.299 0.000 0.880 126 E CB -1.088 28.536 29.700 -0.128 0.000 0.873 126 E HN 0.552 nan 8.360 nan 0.000 0.527 127 G N 1.533 110.236 108.800 -0.161 0.000 2.323 127 G HA2 -0.279 3.681 3.960 0.000 0.000 0.292 127 G HA3 -0.279 3.681 3.960 0.000 0.000 0.292 127 G C 0.519 175.375 174.900 -0.074 0.000 1.040 127 G CA 0.432 45.472 45.100 -0.101 0.000 0.942 127 G HN 0.368 nan 8.290 nan 0.000 0.506 128 L N -0.579 120.610 121.223 -0.057 0.000 2.965 128 L HA 0.640 4.980 4.340 0.000 0.000 0.254 128 L C 0.894 177.743 176.870 -0.035 0.000 1.220 128 L CA 0.525 55.333 54.840 -0.053 0.000 1.023 128 L CB 0.344 42.365 42.059 -0.064 0.000 1.355 128 L HN 0.852 nan 8.230 nan 0.000 0.545 129 A N -0.830 121.977 122.820 -0.021 0.000 1.818 129 A HA 0.204 4.524 4.320 0.000 0.000 0.267 129 A C 0.498 178.084 177.584 0.003 0.000 0.972 129 A CA -0.734 51.297 52.037 -0.010 0.000 0.890 129 A CB 0.277 19.273 19.000 -0.008 0.000 0.973 129 A HN 0.161 nan 8.150 nan 0.000 0.332 130 K N 0.593 120.994 120.400 0.001 0.000 2.007 130 K HA -0.283 4.037 4.320 0.000 0.000 0.231 130 K C 0.894 177.506 176.600 0.019 0.000 1.044 130 K CA 2.804 59.095 56.287 0.008 0.000 0.996 130 K CB -0.242 32.262 32.500 0.006 0.000 0.738 130 K HN 0.964 nan 8.250 nan 0.000 0.447 131 D N -2.057 118.356 120.400 0.020 0.000 2.668 131 D HA 0.154 4.794 4.640 0.000 0.000 0.249 131 D C 1.035 177.355 176.300 0.034 0.000 1.150 131 D CA -0.583 53.434 54.000 0.029 0.000 1.090 131 D CB -0.047 40.769 40.800 0.026 0.000 1.244 131 D HN -0.034 nan 8.370 nan 0.000 0.636 132 L N -0.409 120.838 121.223 0.040 0.000 2.068 132 L HA 0.072 4.412 4.340 0.000 0.000 0.204 132 L C 2.531 179.427 176.870 0.043 0.000 1.076 132 L CA 1.295 56.164 54.840 0.047 0.000 0.753 132 L CB -0.700 41.391 42.059 0.053 0.000 0.910 132 L HN 0.575 nan 8.230 nan 0.000 0.439 133 A N -0.168 122.674 122.820 0.037 0.000 2.032 133 A HA -0.292 4.028 4.320 0.000 0.000 0.221 133 A C 1.931 179.529 177.584 0.024 0.000 1.165 133 A CA 2.294 54.351 52.037 0.033 0.000 0.645 133 A CB -0.530 18.487 19.000 0.028 0.000 0.807 133 A HN 0.416 nan 8.150 nan 0.000 0.453 134 D N -0.828 119.583 120.400 0.018 0.000 2.213 134 D HA 0.151 4.791 4.640 0.000 0.000 0.205 134 D C 2.089 178.388 176.300 -0.002 0.000 0.961 134 D CA 1.099 55.102 54.000 0.006 0.000 0.853 134 D CB -0.183 40.620 40.800 0.003 0.000 0.967 134 D HN 0.302 nan 8.370 nan 0.000 0.496 135 A N 0.347 123.172 122.820 0.008 0.000 1.908 135 A HA -0.218 4.102 4.320 0.000 0.000 0.218 135 A C 1.982 179.549 177.584 -0.028 0.000 1.181 135 A CA 2.057 54.095 52.037 0.001 0.000 0.627 135 A CB -0.784 18.236 19.000 0.034 0.000 0.818 135 A HN 0.267 nan 8.150 nan 0.000 0.445 136 D N -1.045 119.356 120.400 0.001 0.000 2.088 136 D HA -0.185 4.455 4.640 0.000 0.000 0.196 136 D C 2.091 178.365 176.300 -0.043 0.000 0.983 136 D CA 1.588 55.586 54.000 -0.002 0.000 0.846 136 D CB -0.229 40.610 40.800 0.066 0.000 0.992 136 D HN 0.324 nan 8.370 nan 0.000 0.448 137 R N -0.287 120.208 120.500 -0.008 0.000 2.224 137 R HA -0.278 4.062 4.340 0.000 0.000 0.251 137 R C 2.415 178.694 176.300 -0.035 0.000 1.123 137 R CA 2.902 58.996 56.100 -0.010 0.000 0.944 137 R CB -0.903 29.396 30.300 -0.003 0.000 0.910 137 R HN 0.330 nan 8.270 nan 0.000 0.440 138 V N -1.886 117.998 119.914 -0.051 0.000 2.237 138 V HA -0.138 3.982 4.120 0.000 0.000 0.245 138 V C 2.168 178.200 176.094 -0.105 0.000 1.046 138 V CA 2.054 64.313 62.300 -0.068 0.000 1.007 138 V CB -1.410 30.373 31.823 -0.068 0.000 0.638 138 V HN 0.469 nan 8.190 nan 0.000 0.445 139 A N 1.471 124.188 122.820 -0.172 0.000 1.940 139 A HA -0.294 4.026 4.320 0.000 0.000 0.221 139 A C 2.351 179.819 177.584 -0.193 0.000 1.190 139 A CA 2.683 54.557 52.037 -0.272 0.000 0.647 139 A CB -0.709 17.850 19.000 -0.735 0.000 0.821 139 A HN 0.767 nan 8.150 nan 0.000 0.457 140 R N -0.865 119.545 120.500 -0.149 0.000 2.246 140 R HA 0.074 4.414 4.340 0.000 0.000 0.199 140 R C 2.345 178.659 176.300 0.023 0.000 0.984 140 R CA 0.795 56.902 56.100 0.011 0.000 1.015 140 R CB -0.413 29.925 30.300 0.063 0.000 0.930 140 R HN 0.505 nan 8.270 nan 0.000 0.475 141 S N 0.379 116.072 115.700 -0.011 0.000 2.359 141 S HA -0.142 4.328 4.470 0.000 0.000 0.223 141 S C 1.618 176.220 174.600 0.002 0.000 1.039 141 S CA 2.017 60.212 58.200 -0.008 0.000 1.042 141 S CB -0.284 62.898 63.200 -0.029 0.000 0.915 141 S HN 0.645 nan 8.310 nan 0.000 0.439 142 G N -0.935 107.864 108.800 -0.001 0.000 2.192 142 G HA2 -0.078 3.882 3.960 0.000 0.000 0.193 142 G HA3 -0.078 3.882 3.960 0.000 0.000 0.193 142 G C 0.850 175.729 174.900 -0.034 0.000 0.999 142 G CA 0.378 45.480 45.100 0.005 0.000 0.659 142 G HN 1.057 nan 8.290 nan 0.000 0.503 143 A N -0.405 122.379 122.820 -0.059 0.000 2.168 143 A HA 0.593 4.913 4.320 0.000 0.000 0.215 143 A C 1.007 178.513 177.584 -0.131 0.000 1.152 143 A CA 0.884 52.873 52.037 -0.079 0.000 0.716 143 A CB -0.022 18.933 19.000 -0.074 0.000 0.794 143 A HN 0.652 nan 8.150 nan 0.000 0.465 144 I N 0.811 121.265 120.570 -0.194 0.000 2.406 144 I HA 0.179 4.349 4.170 0.000 0.000 0.290 144 I C -0.576 175.277 176.117 -0.440 0.000 0.999 144 I CA -0.494 60.593 61.300 -0.354 0.000 1.124 144 I CB 2.118 39.806 38.000 -0.520 0.000 1.289 144 I HN -0.083 nan 8.210 nan 0.000 0.441 145 T N 6.194 120.545 114.554 -0.337 0.000 2.814 145 T HA 0.365 4.715 4.350 0.000 0.000 0.297 145 T C -0.390 174.097 174.700 -0.355 0.000 0.956 145 T CA 0.038 62.004 62.100 -0.224 0.000 1.123 145 T CB 0.117 68.931 68.868 -0.090 0.000 0.902 145 T HN 0.092 nan 8.240 nan 0.000 0.528 146 F N 1.462 121.455 119.950 0.072 0.000 2.458 146 F HA 0.668 5.195 4.527 0.000 0.000 0.330 146 F C 0.864 176.776 175.800 0.186 0.000 1.082 146 F CA -0.674 57.406 58.000 0.134 0.000 0.995 146 F CB 1.965 41.036 39.000 0.118 0.000 1.170 146 F HN 0.457 nan 8.300 nan 0.000 0.478 147 S N 1.692 117.653 115.700 0.435 0.000 2.556 147 S HA 0.459 4.929 4.470 0.000 0.000 0.280 147 S C -3.019 171.512 174.600 -0.114 0.000 1.141 147 S CA -1.193 57.150 58.200 0.240 0.000 0.883 147 S CB 1.891 65.257 63.200 0.277 0.000 1.103 147 S HN 0.141 nan 8.310 nan 0.000 0.453 148 P HA 0.245 nan 4.420 nan 0.000 0.271 148 P C 0.463 177.717 177.300 -0.076 0.000 1.216 148 P CA -0.360 62.478 63.100 -0.438 0.000 0.771 148 P CB 0.274 31.859 31.700 -0.191 0.000 0.864 149 C N 1.454 120.665 119.300 -0.148 0.000 2.396 149 C HA -0.197 4.263 4.460 0.000 0.000 0.277 149 C C 2.269 177.276 174.990 0.029 0.000 1.231 149 C CA 1.285 60.267 59.018 -0.060 0.000 1.775 149 C CB -1.985 25.669 27.740 -0.143 0.000 2.036 149 C HN 0.765 nan 8.230 nan 0.000 0.484 150 H N 0.348 119.486 119.070 0.113 0.000 2.387 150 H HA -0.097 4.459 4.556 0.000 0.000 0.299 150 H C 2.157 177.574 175.328 0.149 0.000 1.090 150 H CA 1.508 57.658 56.048 0.171 0.000 1.332 150 H CB -0.108 29.854 29.762 0.332 0.000 1.386 150 H HN 0.620 nan 8.280 nan 0.000 0.516 151 E N -0.122 120.255 120.200 0.296 0.000 2.409 151 E HA -0.111 4.239 4.350 0.000 0.000 0.198 151 E C 0.361 176.890 176.600 -0.119 0.000 1.024 151 E CA 0.574 57.033 56.400 0.098 0.000 0.861 151 E CB 0.192 29.951 29.700 0.098 0.000 0.788 151 E HN 0.722 nan 8.360 nan 0.000 0.521 152 H N 0.401 119.509 119.070 0.065 0.000 2.475 152 H HA 0.075 4.631 4.556 0.000 0.000 0.276 152 H C -0.481 174.905 175.328 0.097 0.000 1.126 152 H CA -0.192 55.880 56.048 0.039 0.000 1.023 152 H CB 0.529 30.279 29.762 -0.021 0.000 1.669 152 H HN 0.049 nan 8.280 nan 0.000 0.573 153 D N 0.356 120.864 120.400 0.180 0.000 2.911 153 D HA -0.150 4.490 4.640 0.000 0.000 0.227 153 D C 0.349 176.785 176.300 0.226 0.000 1.164 153 D CA 1.017 55.132 54.000 0.191 0.000 0.782 153 D CB -1.221 39.727 40.800 0.248 0.000 1.094 153 D HN 0.568 nan 8.370 nan 0.000 0.425 154 A N -0.743 122.153 122.820 0.127 0.000 2.387 154 A HA 0.864 5.184 4.320 0.000 0.000 0.303 154 A C 0.096 177.563 177.584 -0.196 0.000 1.145 154 A CA -0.173 51.896 52.037 0.053 0.000 0.801 154 A CB 2.040 21.087 19.000 0.079 0.000 1.342 154 A HN 0.467 nan 8.150 nan 0.000 0.440 155 V N -2.520 117.281 119.914 -0.189 0.000 3.040 155 V HA 0.959 5.079 4.120 0.000 0.000 0.312 155 V C 0.041 176.050 176.094 -0.141 0.000 1.115 155 V CA -0.228 61.907 62.300 -0.276 0.000 0.998 155 V CB 1.585 33.254 31.823 -0.257 0.000 1.042 155 V HN 1.601 nan 8.190 nan 0.000 0.433 156 G N 0.512 109.240 108.800 -0.119 0.000 2.702 156 G HA2 0.538 4.498 3.960 0.000 0.000 0.295 156 G HA3 0.538 4.498 3.960 0.000 0.000 0.295 156 G C -0.415 174.456 174.900 -0.049 0.000 1.446 156 G CA 0.044 45.106 45.100 -0.064 0.000 0.983 156 G HN 1.051 nan 8.290 nan 0.000 0.520 160 G N -0.203 108.579 108.800 -0.030 0.000 2.180 160 G HA2 -0.155 3.805 3.960 0.000 0.000 0.263 160 G HA3 -0.155 3.805 3.960 0.000 0.000 0.263 160 G C 0.421 175.334 174.900 0.022 0.000 0.989 160 G CA 0.483 45.575 45.100 -0.013 0.000 0.692 160 G HN 1.388 nan 8.290 nan 0.000 0.526 161 V N 1.114 121.055 119.914 0.045 0.000 2.540 161 V HA 0.446 4.566 4.120 0.000 0.000 0.297 161 V C 0.788 176.913 176.094 0.052 0.000 1.024 161 V CA 1.253 63.601 62.300 0.080 0.000 1.105 161 V CB 1.136 33.019 31.823 0.100 0.000 0.938 161 V HN 0.403 nan 8.190 nan 0.000 0.482 162 T N 4.179 118.762 114.554 0.049 0.000 2.952 162 T HA 0.592 4.942 4.350 0.000 0.000 0.305 162 T C -0.403 174.310 174.700 0.023 0.000 1.064 162 T CA -0.585 61.532 62.100 0.029 0.000 1.008 162 T CB 1.807 70.674 68.868 -0.002 0.000 1.078 162 T HN 0.838 nan 8.240 nan 0.000 0.459 163 S N 2.082 117.812 115.700 0.050 0.000 2.745 163 S HA 0.676 5.146 4.470 0.000 0.000 0.306 163 S C -2.333 172.271 174.600 0.006 0.000 1.137 163 S CA -1.640 56.583 58.200 0.037 0.000 0.900 163 S CB 1.430 64.697 63.200 0.112 0.000 1.176 163 S HN 0.306 nan 8.310 nan 0.000 0.520 164 P HA -0.015 nan 4.420 nan 0.000 0.216 164 P C 0.153 177.408 177.300 -0.075 0.000 1.150 164 P CA 1.165 64.213 63.100 -0.086 0.000 0.837 164 P CB -0.036 31.602 31.700 -0.103 0.000 0.786 168 V N -1.881 118.196 119.914 0.272 0.000 3.114 168 V HA 0.676 4.796 4.120 0.000 0.000 0.308 168 V C -1.070 175.240 176.094 0.360 0.000 1.168 168 V CA -1.199 61.279 62.300 0.297 0.000 1.015 168 V CB 1.962 33.920 31.823 0.225 0.000 1.050 168 V HN 0.796 nan 8.190 nan 0.000 0.433 169 H N 1.658 120.859 119.070 0.217 0.000 2.683 169 H HA 0.618 5.174 4.556 0.000 0.000 0.339 169 H C -0.203 175.094 175.328 -0.052 0.000 1.081 169 H CA 0.042 56.072 56.048 -0.030 0.000 1.432 169 H CB 0.866 30.550 29.762 -0.129 0.000 1.462 169 H HN 0.645 nan 8.280 nan 0.000 0.557 170 I N 4.792 125.304 120.570 -0.097 0.000 2.306 170 I HA 0.210 4.381 4.170 0.000 0.000 0.288 170 I C -0.315 175.657 176.117 -0.242 0.000 1.036 170 I CA -0.087 61.140 61.300 -0.123 0.000 1.221 170 I CB 0.391 38.376 38.000 -0.026 0.000 1.385 170 I HN 0.360 nan 8.210 nan 0.000 0.472 171 I N 6.968 127.348 120.570 -0.316 0.000 2.362 171 I HA 0.341 4.511 4.170 0.000 0.000 0.289 171 I C -0.071 175.887 176.117 -0.265 0.000 0.994 171 I CA -0.394 60.749 61.300 -0.261 0.000 1.158 171 I CB 1.392 39.244 38.000 -0.247 0.000 1.315 171 I HN 0.490 nan 8.210 nan 0.000 0.451 172 K N 5.151 125.442 120.400 -0.183 0.000 2.345 172 K HA 0.322 4.642 4.320 0.000 0.000 0.255 172 K C -0.564 175.980 176.600 -0.093 0.000 0.934 172 K CA -0.789 55.412 56.287 -0.143 0.000 0.801 172 K CB 1.262 33.691 32.500 -0.118 0.000 1.137 172 K HN 0.410 nan 8.250 nan 0.000 0.424 173 N N 3.512 122.173 118.700 -0.065 0.000 2.415 173 N HA -0.044 4.696 4.740 0.000 0.000 0.250 173 N C 0.546 176.029 175.510 -0.044 0.000 1.127 173 N CA 0.441 53.474 53.050 -0.027 0.000 0.945 173 N CB 1.016 39.526 38.487 0.038 0.000 1.196 173 N HN 0.737 nan 8.380 nan 0.000 0.499 174 E N 1.769 121.935 120.200 -0.058 0.000 2.209 174 E HA -0.159 4.191 4.350 0.000 0.000 0.196 174 E C 0.384 176.909 176.600 -0.124 0.000 0.993 174 E CA 1.277 57.632 56.400 -0.074 0.000 0.819 174 E CB 0.503 30.165 29.700 -0.063 0.000 0.745 174 E HN 0.603 nan 8.360 nan 0.000 0.477 175 T N -1.034 113.409 114.554 -0.186 0.000 2.866 175 T HA -0.051 4.299 4.350 0.000 0.000 0.250 175 T C 0.946 175.308 174.700 -0.563 0.000 1.033 175 T CA 0.922 62.762 62.100 -0.434 0.000 1.145 175 T CB -0.143 68.360 68.868 -0.608 0.000 0.866 175 T HN 0.234 nan 8.240 nan 0.000 0.434 176 Y N 0.007 120.303 120.300 -0.006 0.000 2.430 176 Y HA 0.475 5.025 4.550 0.000 0.000 0.248 176 Y C 1.928 177.820 175.900 -0.013 0.000 1.108 176 Y CA -0.211 57.886 58.100 -0.005 0.000 1.264 176 Y CB 0.413 38.874 38.460 0.001 0.000 1.172 176 Y HN 0.344 nan 8.280 nan 0.000 0.520 177 G N 0.766 109.608 108.800 0.070 0.000 2.195 177 G HA2 -0.310 3.650 3.960 0.000 0.000 0.246 177 G HA3 -0.310 3.650 3.960 0.000 0.000 0.246 177 G C 0.184 175.097 174.900 0.021 0.000 0.984 177 G CA 0.152 45.269 45.100 0.027 0.000 0.633 177 G HN 0.434 nan 8.290 nan 0.000 0.525 178 N N 0.565 119.289 118.700 0.040 0.000 2.424 178 N HA 0.490 5.230 4.740 0.000 0.000 0.257 178 N C -0.450 175.025 175.510 -0.059 0.000 1.250 178 N CA 0.805 53.858 53.050 0.005 0.000 0.946 178 N CB 0.804 39.304 38.487 0.021 0.000 1.175 178 N HN 0.123 nan 8.380 nan 0.000 0.477 179 T N -0.545 113.943 114.554 -0.109 0.000 2.893 179 T HA 0.747 5.097 4.350 0.000 0.000 0.291 179 T C -0.696 173.745 174.700 -0.431 0.000 1.028 179 T CA -0.613 61.316 62.100 -0.286 0.000 0.995 179 T CB 1.593 70.267 68.868 -0.322 0.000 1.051 179 T HN 0.844 nan 8.240 nan 0.000 0.470 180 A N 1.858 124.291 122.820 -0.644 0.000 2.515 180 A HA 0.954 5.274 4.320 0.000 0.000 0.296 180 A C -1.750 175.356 177.584 -0.796 0.000 1.094 180 A CA -0.804 50.909 52.037 -0.540 0.000 0.718 180 A CB 1.158 20.005 19.000 -0.255 0.000 1.307 180 A HN 0.695 nan 8.150 nan 0.000 0.408 181 F N -0.141 119.776 119.950 -0.055 0.000 2.588 181 F HA 0.749 5.276 4.527 0.000 0.000 0.310 181 F C 0.319 176.087 175.800 -0.054 0.000 1.082 181 F CA -0.361 57.618 58.000 -0.034 0.000 0.929 181 F CB 3.013 42.006 39.000 -0.011 0.000 1.254 181 F HN 0.639 nan 8.300 nan 0.000 0.455 182 T N -1.255 113.407 114.554 0.179 0.000 2.894 182 T HA 0.426 4.776 4.350 0.000 0.000 0.309 182 T C -0.925 173.926 174.700 0.252 0.000 1.208 182 T CA -1.287 60.879 62.100 0.111 0.000 1.016 182 T CB 1.640 70.460 68.868 -0.081 0.000 1.192 182 T HN 0.583 nan 8.240 nan 0.000 0.491 183 N N 0.847 119.642 118.700 0.158 0.000 2.354 183 N HA 0.363 5.103 4.740 0.000 0.000 0.246 183 N C -0.728 174.913 175.510 0.219 0.000 1.285 183 N CA -0.760 52.397 53.050 0.178 0.000 0.925 183 N CB -0.081 38.467 38.487 0.103 0.000 1.174 183 N HN 0.412 nan 8.380 nan 0.000 0.478 184 L N -0.175 121.166 121.223 0.196 0.000 2.357 184 L HA 0.303 4.643 4.340 0.000 0.000 0.273 184 L C 0.770 177.760 176.870 0.200 0.000 1.080 184 L CA -0.402 54.553 54.840 0.193 0.000 0.803 184 L CB 0.837 43.015 42.059 0.199 0.000 1.174 184 L HN 0.777 nan 8.230 nan 0.000 0.443 185 S N 1.827 117.635 115.700 0.181 0.000 2.509 185 S HA 0.092 4.562 4.470 0.000 0.000 0.287 185 S C 0.112 174.947 174.600 0.392 0.000 1.248 185 S CA -0.483 57.880 58.200 0.271 0.000 1.089 185 S CB -0.291 63.055 63.200 0.244 0.000 0.900 185 S HN 0.557 nan 8.310 nan 0.000 0.496 186 E N 3.491 123.878 120.200 0.312 0.000 2.404 186 E HA 0.093 4.443 4.350 0.000 0.000 0.261 186 E C 0.820 177.565 176.600 0.241 0.000 1.074 186 E CA -0.365 56.240 56.400 0.341 0.000 0.917 186 E CB 0.425 30.253 29.700 0.213 0.000 0.965 186 E HN 0.658 nan 8.360 nan 0.000 0.433 187 Q N 0.802 120.673 119.800 0.118 0.000 2.423 187 Q HA 0.152 4.492 4.340 0.000 0.000 0.231 187 Q C 0.772 176.785 176.000 0.021 0.000 0.894 187 Q CA 0.124 55.906 55.803 -0.037 0.000 0.938 187 Q CB 0.364 28.823 28.738 -0.464 0.000 1.079 187 Q HN 0.537 nan 8.270 nan 0.000 0.552 188 L N 0.147 121.393 121.223 0.039 0.000 2.444 188 L HA -0.011 4.329 4.340 0.000 0.000 0.251 188 L C 1.581 178.508 176.870 0.095 0.000 1.247 188 L CA 0.278 55.147 54.840 0.049 0.000 0.825 188 L CB 0.035 42.121 42.059 0.046 0.000 1.129 188 L HN 0.119 nan 8.230 nan 0.000 0.527 189 A N 0.288 123.153 122.820 0.074 0.000 1.878 189 A HA -0.009 4.311 4.320 0.000 0.000 0.213 189 A C 0.953 178.602 177.584 0.107 0.000 1.192 189 A CA 0.653 52.737 52.037 0.078 0.000 0.619 189 A CB -0.123 18.883 19.000 0.011 0.000 0.837 189 A HN 0.496 nan 8.150 nan 0.000 0.446 190 K N 1.132 121.577 120.400 0.075 0.000 2.079 190 K HA 0.300 4.620 4.320 0.000 0.000 0.255 190 K C -0.288 176.389 176.600 0.127 0.000 1.114 190 K CA 0.149 56.489 56.287 0.087 0.000 1.056 190 K CB -0.701 31.830 32.500 0.052 0.000 1.176 190 K HN 0.420 nan 8.250 nan 0.000 0.353 191 V N -0.642 119.396 119.914 0.207 0.000 3.158 191 V HA 0.422 4.542 4.120 0.000 0.000 0.311 191 V C 0.727 176.906 176.094 0.142 0.000 1.181 191 V CA -1.100 61.301 62.300 0.169 0.000 1.054 191 V CB 1.483 33.403 31.823 0.161 0.000 1.085 191 V HN 0.306 nan 8.190 nan 0.000 0.446 192 L N 1.007 122.268 121.223 0.064 0.000 2.313 192 L HA 0.173 4.513 4.340 0.000 0.000 0.214 192 L C 2.562 179.423 176.870 -0.014 0.000 1.119 192 L CA 1.910 56.770 54.840 0.035 0.000 0.809 192 L CB -0.574 41.489 42.059 0.006 0.000 0.933 192 L HN 0.899 nan 8.230 nan 0.000 0.449 193 R N -1.927 118.501 120.500 -0.119 0.000 2.276 193 R HA -0.045 4.295 4.340 0.000 0.000 0.203 193 R C 0.648 176.706 176.300 -0.403 0.000 1.017 193 R CA 1.134 57.061 56.100 -0.287 0.000 1.010 193 R CB -0.447 29.606 30.300 -0.411 0.000 0.900 193 R HN 0.295 nan 8.270 nan 0.000 0.469 194 F N 0.192 120.152 119.950 0.016 0.000 2.661 194 F HA 0.442 4.969 4.527 0.000 0.000 0.306 194 F C 1.372 177.184 175.800 0.020 0.000 1.094 194 F CA -0.034 57.972 58.000 0.010 0.000 1.254 194 F CB 1.263 40.264 39.000 0.001 0.000 1.040 194 F HN 0.269 nan 8.300 nan 0.000 0.562 195 G N 0.480 109.370 108.800 0.151 0.000 2.176 195 G HA2 -0.168 3.792 3.960 0.000 0.000 0.253 195 G HA3 -0.168 3.792 3.960 0.000 0.000 0.253 195 G C 0.528 175.495 174.900 0.111 0.000 0.979 195 G CA -0.149 45.019 45.100 0.114 0.000 0.641 195 G HN 0.645 nan 8.290 nan 0.000 0.530 196 A N 0.386 123.284 122.820 0.130 0.000 2.540 196 A HA 0.488 4.808 4.320 0.000 0.000 0.239 196 A C 0.598 178.231 177.584 0.082 0.000 1.061 196 A CA 1.059 53.157 52.037 0.102 0.000 0.758 196 A CB 0.060 19.126 19.000 0.110 0.000 0.991 196 A HN 1.446 nan 8.150 nan 0.000 0.502 197 N N 2.158 120.901 118.700 0.071 0.000 2.751 197 N HA 0.220 4.960 4.740 0.000 0.000 0.238 197 N C -1.700 173.845 175.510 0.059 0.000 1.351 197 N CA -0.558 52.532 53.050 0.066 0.000 0.751 197 N CB 0.553 39.083 38.487 0.072 0.000 1.342 197 N HN 0.474 nan 8.380 nan 0.000 0.540 198 D N 0.115 120.547 120.400 0.054 0.000 2.432 198 D HA 0.099 4.739 4.640 0.000 0.000 0.258 198 D C 1.026 177.356 176.300 0.050 0.000 1.146 198 D CA -0.394 53.635 54.000 0.047 0.000 1.015 198 D CB 1.666 42.490 40.800 0.040 0.000 1.107 198 D HN 0.150 nan 8.370 nan 0.000 0.529 199 Q N 0.653 120.480 119.800 0.045 0.000 2.135 199 Q HA -0.152 4.188 4.340 0.000 0.000 0.204 199 Q C 1.965 177.994 176.000 0.048 0.000 0.981 199 Q CA 1.416 57.248 55.803 0.048 0.000 0.856 199 Q CB -0.408 28.354 28.738 0.040 0.000 0.902 199 Q HN 0.575 nan 8.270 nan 0.000 0.425 200 S N -0.867 114.857 115.700 0.039 0.000 2.359 200 S HA -0.153 4.317 4.470 0.000 0.000 0.223 200 S C 2.093 176.716 174.600 0.039 0.000 1.039 200 S CA 1.885 60.105 58.200 0.033 0.000 1.042 200 S CB -0.917 62.298 63.200 0.025 0.000 0.915 200 S HN 0.171 nan 8.310 nan 0.000 0.439 201 V N 1.577 121.517 119.914 0.043 0.000 2.358 201 V HA -0.113 4.007 4.120 0.000 0.000 0.246 201 V C 2.740 178.854 176.094 0.033 0.000 1.047 201 V CA 1.591 63.915 62.300 0.041 0.000 1.035 201 V CB -0.780 31.072 31.823 0.047 0.000 0.658 201 V HN 0.479 nan 8.190 nan 0.000 0.452 202 V N 0.260 120.207 119.914 0.055 0.000 2.255 202 V HA -0.332 3.788 4.120 0.000 0.000 0.247 202 V C 2.277 178.433 176.094 0.104 0.000 1.051 202 V CA 2.446 64.799 62.300 0.088 0.000 1.018 202 V CB -0.836 31.068 31.823 0.134 0.000 0.641 202 V HN 0.556 nan 8.190 nan 0.000 0.445 203 D N -0.382 120.074 120.400 0.094 0.000 2.191 203 D HA -0.274 4.366 4.640 0.000 0.000 0.190 203 D C 2.287 178.649 176.300 0.103 0.000 1.007 203 D CA 2.088 56.145 54.000 0.095 0.000 0.865 203 D CB -0.301 40.535 40.800 0.061 0.000 0.929 203 D HN 0.409 nan 8.370 nan 0.000 0.447 204 R N -0.090 120.449 120.500 0.064 0.000 2.193 204 R HA 0.064 4.404 4.340 0.000 0.000 0.213 204 R C 2.085 178.437 176.300 0.087 0.000 1.055 204 R CA 0.428 56.570 56.100 0.070 0.000 0.995 204 R CB -0.056 30.269 30.300 0.042 0.000 0.893 204 R HN 0.214 nan 8.270 nan 0.000 0.459 205 L N 0.265 121.473 121.223 -0.026 0.000 2.179 205 L HA -0.082 4.258 4.340 0.000 0.000 0.208 205 L C 2.099 178.953 176.870 -0.027 0.000 1.096 205 L CA 0.402 55.100 54.840 -0.236 0.000 0.779 205 L CB -0.254 41.327 42.059 -0.797 0.000 0.922 205 L HN 0.214 nan 8.230 nan 0.000 0.443 206 I N -0.929 119.761 120.570 0.201 0.000 2.163 206 I HA -0.258 3.912 4.170 0.000 0.000 0.243 206 I C 1.609 177.849 176.117 0.205 0.000 1.085 206 I CA 1.034 62.527 61.300 0.323 0.000 1.347 206 I CB -0.724 37.426 38.000 0.251 0.000 1.044 206 I HN 0.340 nan 8.210 nan 0.000 0.408 210 D N 0.152 120.459 120.400 -0.155 0.000 2.380 210 D HA 0.047 4.687 4.640 0.000 0.000 0.212 210 D C 1.563 177.698 176.300 -0.275 0.000 1.021 210 D CA 1.415 55.324 54.000 -0.152 0.000 0.884 210 D CB 1.112 41.864 40.800 -0.080 0.000 1.001 210 D HN 0.236 nan 8.370 nan 0.000 0.506 211 V N -2.044 117.513 119.914 -0.596 0.000 3.029 211 V HA 0.211 4.331 4.120 0.000 0.000 0.230 211 V C 1.903 177.450 176.094 -0.912 0.000 1.254 211 V CA -0.161 61.740 62.300 -0.665 0.000 1.276 211 V CB -0.185 31.212 31.823 -0.709 0.000 1.080 211 V HN 0.042 nan 8.190 nan 0.000 0.495 212 L N 1.301 121.771 121.223 -1.255 0.000 1.989 212 L HA -0.004 4.336 4.340 0.000 0.000 0.211 212 L C 2.539 178.903 176.870 -0.844 0.000 1.071 212 L CA 2.692 56.901 54.840 -1.052 0.000 0.749 212 L CB -0.983 40.484 42.059 -0.987 0.000 0.890 212 L HN 0.560 nan 8.230 nan 0.000 0.431 213 G N -0.134 108.080 108.800 -0.977 0.000 2.453 213 G HA2 -0.216 3.744 3.960 0.000 0.000 0.215 213 G HA3 -0.216 3.744 3.960 0.000 0.000 0.215 213 G C -0.771 173.605 174.900 -0.873 0.000 1.201 213 G CA 0.728 44.990 45.100 -1.396 0.000 0.784 213 G HN 0.329 nan 8.290 nan 0.000 0.545 214 P HA -0.153 nan 4.420 nan 0.000 0.216 214 P C 2.092 179.319 177.300 -0.121 0.000 1.157 214 P CA 0.906 63.953 63.100 -0.089 0.000 0.880 214 P CB -0.175 31.585 31.700 0.100 0.000 0.791 215 L N -1.737 119.114 121.223 -0.620 0.000 2.046 215 L HA -0.167 4.173 4.340 0.000 0.000 0.208 215 L C 2.087 178.712 176.870 -0.409 0.000 1.077 215 L CA 1.760 56.036 54.840 -0.940 0.000 0.747 215 L CB -1.028 40.223 42.059 -1.347 0.000 0.896 215 L HN -0.143 nan 8.230 nan 0.000 0.432 216 L N -0.486 120.500 121.223 -0.395 0.000 2.027 216 L HA -0.248 4.092 4.340 0.000 0.000 0.206 216 L C 2.635 179.576 176.870 0.118 0.000 1.074 216 L CA 2.035 56.705 54.840 -0.283 0.000 0.745 216 L CB -1.731 39.846 42.059 -0.804 0.000 0.898 216 L HN 0.501 nan 8.230 nan 0.000 0.433 217 H N -0.080 119.050 119.070 0.100 0.000 2.289 217 H HA -0.223 4.333 4.556 0.000 0.000 0.296 217 H C 1.674 177.103 175.328 0.168 0.000 1.091 217 H CA 2.393 58.575 56.048 0.222 0.000 1.274 217 H CB 0.201 30.109 29.762 0.244 0.000 1.364 217 H HN 0.313 nan 8.280 nan 0.000 0.490 218 D N 0.879 121.367 120.400 0.148 0.000 2.097 218 D HA 0.012 4.652 4.640 0.000 0.000 0.195 218 D C 1.331 177.771 176.300 0.232 0.000 0.989 218 D CA 1.081 55.177 54.000 0.159 0.000 0.827 218 D CB -0.600 40.400 40.800 0.332 0.000 0.966 218 D HN 0.545 nan 8.370 nan 0.000 0.456 222 F N 1.829 121.683 119.950 -0.160 0.000 2.765 222 F HA 0.517 5.044 4.527 0.000 0.000 0.302 222 F C 1.386 177.007 175.800 -0.299 0.000 1.111 222 F CA -0.369 57.552 58.000 -0.131 0.000 1.359 222 F CB 0.726 39.733 39.000 0.011 0.000 1.097 222 F HN 0.437 nan 8.300 nan 0.000 0.577 223 C N 3.345 122.445 119.300 -0.335 0.000 3.003 223 C HA 0.398 4.858 4.460 0.000 0.000 0.241 223 C C -0.895 173.958 174.990 -0.229 0.000 1.224 223 C CA -1.902 56.823 59.018 -0.488 0.000 1.560 223 C CB -0.686 26.449 27.740 -1.009 0.000 1.768 223 C HN 0.122 nan 8.230 nan 0.000 0.440 224 P HA -0.117 nan 4.420 nan 0.000 0.220 224 P C 0.839 178.097 177.300 -0.069 0.000 1.148 224 P CA 1.625 64.670 63.100 -0.091 0.000 0.803 224 P CB 0.323 31.988 31.700 -0.058 0.000 0.782 225 E N -0.477 119.691 120.200 -0.052 0.000 2.318 225 E HA 0.308 4.658 4.350 0.000 0.000 0.193 225 E C 1.268 177.845 176.600 -0.038 0.000 0.998 225 E CA 0.511 56.893 56.400 -0.030 0.000 0.859 225 E CB -0.583 29.118 29.700 0.001 0.000 0.812 225 E HN 0.253 nan 8.360 nan 0.000 0.492 226 G N 0.669 109.433 108.800 -0.060 0.000 2.796 226 G HA2 -0.220 3.741 3.960 0.000 0.000 0.571 226 G HA3 -0.220 3.741 3.960 0.000 0.000 0.571 226 G C -0.657 174.241 174.900 -0.003 0.000 1.370 226 G CA -0.474 44.592 45.100 -0.056 0.000 0.856 226 G HN 0.133 nan 8.290 nan 0.000 0.538 227 I N 0.522 121.097 120.570 0.009 0.000 2.406 227 I HA 0.269 4.439 4.170 0.000 0.000 0.290 227 I C -0.445 175.699 176.117 0.045 0.000 0.999 227 I CA -0.664 60.672 61.300 0.061 0.000 1.124 227 I CB 1.918 39.978 38.000 0.101 0.000 1.289 227 I HN 0.519 nan 8.210 nan 0.000 0.441 228 D N 6.686 127.123 120.400 0.062 0.000 2.416 228 D HA 0.062 4.702 4.640 0.000 0.000 0.240 228 D C 0.908 177.264 176.300 0.092 0.000 1.250 228 D CA -0.186 53.847 54.000 0.055 0.000 0.967 228 D CB 0.933 41.763 40.800 0.050 0.000 1.059 228 D HN 0.301 nan 8.370 nan 0.000 0.512 229 L N 4.075 125.354 121.223 0.092 0.000 2.079 229 L HA -0.116 4.224 4.340 0.000 0.000 0.210 229 L C 2.420 179.404 176.870 0.190 0.000 1.081 229 L CA 1.352 56.307 54.840 0.191 0.000 0.752 229 L CB -0.802 41.328 42.059 0.118 0.000 0.896 229 L HN 0.459 nan 8.230 nan 0.000 0.433 230 R N -0.938 119.615 120.500 0.090 0.000 2.066 230 R HA -0.105 4.235 4.340 0.000 0.000 0.232 230 R C 1.144 177.467 176.300 0.039 0.000 1.131 230 R CA 0.373 56.511 56.100 0.063 0.000 0.955 230 R CB -0.274 30.068 30.300 0.069 0.000 0.851 230 R HN 0.146 nan 8.270 nan 0.000 0.432 234 S N -0.239 115.365 115.700 -0.160 0.000 2.440 234 S HA -0.183 4.287 4.470 0.000 0.000 0.238 234 S C 1.555 175.997 174.600 -0.263 0.000 1.010 234 S CA 1.657 59.759 58.200 -0.164 0.000 0.972 234 S CB -0.462 62.669 63.200 -0.116 0.000 0.774 234 S HN 0.731 nan 8.310 nan 0.000 0.501 235 Q N 0.525 120.211 119.800 -0.191 0.000 2.204 235 Q HA 0.304 4.644 4.340 0.000 0.000 0.198 235 Q C 2.589 178.542 176.000 -0.079 0.000 0.946 235 Q CA 0.891 56.608 55.803 -0.144 0.000 0.859 235 Q CB -0.384 28.324 28.738 -0.050 0.000 0.946 235 Q HN 0.729 nan 8.270 nan 0.000 0.474 236 A N 1.014 123.759 122.820 -0.126 0.000 1.902 236 A HA -0.160 4.160 4.320 0.000 0.000 0.217 236 A C 1.941 179.497 177.584 -0.047 0.000 1.181 236 A CA 0.983 52.959 52.037 -0.102 0.000 0.623 236 A CB -0.602 18.252 19.000 -0.243 0.000 0.818 236 A HN 0.281 nan 8.150 nan 0.000 0.443 237 L N -0.391 120.794 121.223 -0.065 0.000 2.265 237 L HA -0.110 4.230 4.340 0.000 0.000 0.215 237 L C 1.177 178.156 176.870 0.182 0.000 1.117 237 L CA 1.215 56.074 54.840 0.033 0.000 0.782 237 L CB -1.312 40.767 42.059 0.034 0.000 0.914 237 L HN 0.546 nan 8.230 nan 0.000 0.441 241 D N 0.563 120.983 120.400 0.033 0.000 2.228 241 D HA 0.533 5.174 4.640 0.000 0.000 0.247 241 D C 0.890 177.198 176.300 0.014 0.000 0.995 241 D CA -0.390 53.624 54.000 0.023 0.000 0.903 241 D CB 1.898 42.687 40.800 -0.019 0.000 1.205 241 D HN 0.233 nan 8.370 nan 0.000 0.459 242 E N -0.965 119.258 120.200 0.039 0.000 2.562 242 E HA 0.199 4.549 4.350 0.000 0.000 0.214 242 E C 0.337 176.971 176.600 0.057 0.000 0.979 242 E CA -0.229 56.204 56.400 0.055 0.000 1.002 242 E CB -0.349 29.407 29.700 0.094 0.000 1.048 242 E HN 0.375 nan 8.360 nan 0.000 0.488 243 C N 0.472 119.786 119.300 0.023 0.000 4.417 243 C HA -0.204 4.256 4.460 0.000 0.000 0.284 243 C C 1.137 176.261 174.990 0.224 0.000 1.379 243 C CA 1.632 60.655 59.018 0.008 0.000 1.918 243 C CB -2.971 24.596 27.740 -0.288 0.000 1.280 243 C HN 0.874 nan 8.230 nan 0.000 0.783 244 H N -1.037 118.121 119.070 0.146 0.000 2.027 244 H HA 0.153 4.709 4.556 0.000 0.000 0.209 244 H C 1.734 177.190 175.328 0.213 0.000 0.903 244 H CA 0.318 56.472 56.048 0.178 0.000 1.078 244 H CB 0.214 30.058 29.762 0.135 0.000 1.248 244 H HN 0.367 nan 8.280 nan 0.000 0.432 245 N N 0.317 119.209 118.700 0.321 0.000 2.205 245 N HA 0.059 4.799 4.740 0.000 0.000 0.201 245 N C -0.290 175.344 175.510 0.207 0.000 1.128 245 N CA 0.088 53.272 53.050 0.222 0.000 0.867 245 N CB 1.292 39.816 38.487 0.061 0.000 0.996 245 N HN 0.174 nan 8.380 nan 0.000 0.503 246 R N 1.232 121.854 120.500 0.205 0.000 2.468 246 R HA 0.269 4.609 4.340 0.000 0.000 0.302 246 R C -0.698 175.715 176.300 0.188 0.000 1.041 246 R CA -0.261 55.945 56.100 0.176 0.000 0.899 246 R CB 0.363 30.736 30.300 0.122 0.000 1.167 246 R HN -0.010 nan 8.270 nan 0.000 0.483 247 N N 3.230 122.069 118.700 0.231 0.000 2.235 247 N HA -0.002 4.738 4.740 0.000 0.000 0.231 247 N C 1.169 176.813 175.510 0.225 0.000 1.177 247 N CA 0.110 53.313 53.050 0.254 0.000 0.874 247 N CB 1.131 39.809 38.487 0.320 0.000 1.097 247 N HN 0.230 nan 8.380 nan 0.000 0.518 248 V N 1.805 121.824 119.914 0.174 0.000 2.231 248 V HA -0.337 3.783 4.120 0.000 0.000 0.250 248 V C 2.648 178.830 176.094 0.147 0.000 1.058 248 V CA 2.534 64.923 62.300 0.148 0.000 1.022 248 V CB -0.829 31.062 31.823 0.112 0.000 0.640 248 V HN 0.351 nan 8.190 nan 0.000 0.445 249 A N 0.288 123.182 122.820 0.123 0.000 1.845 249 A HA -0.099 4.221 4.320 0.000 0.000 0.215 249 A C 2.473 180.156 177.584 0.165 0.000 1.195 249 A CA 2.194 54.298 52.037 0.112 0.000 0.616 249 A CB -1.554 17.487 19.000 0.069 0.000 0.832 249 A HN 0.578 nan 8.150 nan 0.000 0.443 250 G N -0.461 108.459 108.800 0.200 0.000 2.599 250 G HA2 -0.313 3.647 3.960 0.000 0.000 0.219 250 G HA3 -0.313 3.647 3.960 0.000 0.000 0.219 250 G C 1.867 177.045 174.900 0.465 0.000 1.193 250 G CA 1.656 47.031 45.100 0.460 0.000 0.778 250 G HN 0.490 nan 8.290 nan 0.000 0.589 251 S N -0.028 115.887 115.700 0.359 0.000 2.374 251 S HA -0.152 4.319 4.470 0.000 0.000 0.227 251 S C 2.497 177.240 174.600 0.238 0.000 1.037 251 S CA 1.915 60.282 58.200 0.278 0.000 1.024 251 S CB -0.507 62.836 63.200 0.239 0.000 0.861 251 S HN 0.517 nan 8.310 nan 0.000 0.456 252 T N 2.227 116.895 114.554 0.190 0.000 2.951 252 T HA 0.143 4.493 4.350 0.000 0.000 0.268 252 T C 1.707 176.492 174.700 0.143 0.000 1.073 252 T CA 0.659 62.843 62.100 0.139 0.000 1.134 252 T CB -0.231 68.700 68.868 0.104 0.000 0.884 252 T HN 0.240 nan 8.240 nan 0.000 0.479 253 L N 0.379 121.708 121.223 0.177 0.000 2.044 253 L HA 0.060 4.400 4.340 0.000 0.000 0.205 253 L C 2.500 179.487 176.870 0.194 0.000 1.075 253 L CA 0.857 55.801 54.840 0.173 0.000 0.747 253 L CB -0.528 41.645 42.059 0.189 0.000 0.903 253 L HN 0.212 nan 8.230 nan 0.000 0.435 254 L N -0.371 120.998 121.223 0.245 0.000 2.012 254 L HA -0.243 4.097 4.340 0.000 0.000 0.210 254 L C 2.526 179.533 176.870 0.229 0.000 1.073 254 L CA 1.523 56.507 54.840 0.240 0.000 0.748 254 L CB -0.158 42.046 42.059 0.242 0.000 0.891 254 L HN 0.091 nan 8.230 nan 0.000 0.431 255 V N -0.287 119.756 119.914 0.216 0.000 2.427 255 V HA -0.313 3.807 4.120 0.000 0.000 0.248 255 V C 2.411 178.574 176.094 0.116 0.000 1.051 255 V CA 1.934 64.336 62.300 0.170 0.000 1.048 255 V CB -0.498 31.405 31.823 0.134 0.000 0.666 255 V HN 0.600 nan 8.190 nan 0.000 0.456 256 Q N 0.464 120.319 119.800 0.092 0.000 2.050 256 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 256 Q C 2.220 178.242 176.000 0.036 0.000 0.980 256 Q CA 2.174 58.003 55.803 0.043 0.000 0.840 256 Q CB -0.333 28.428 28.738 0.039 0.000 0.898 256 Q HN 0.574 nan 8.270 nan 0.000 0.424 257 A N 0.980 123.850 122.820 0.084 0.000 1.902 257 A HA -0.129 4.191 4.320 0.000 0.000 0.217 257 A C 2.089 179.710 177.584 0.062 0.000 1.181 257 A CA 1.310 53.396 52.037 0.081 0.000 0.623 257 A CB -0.683 18.414 19.000 0.162 0.000 0.818 257 A HN 0.479 nan 8.150 nan 0.000 0.443 258 L N -1.005 120.314 121.223 0.160 0.000 2.217 258 L HA -0.114 4.226 4.340 0.000 0.000 0.211 258 L C 2.699 179.633 176.870 0.106 0.000 1.107 258 L CA 1.393 56.367 54.840 0.224 0.000 0.783 258 L CB -0.758 41.448 42.059 0.244 0.000 0.919 258 L HN 0.328 nan 8.230 nan 0.000 0.442 259 T N 0.516 115.108 114.554 0.064 0.000 2.708 259 T HA -0.083 4.267 4.350 0.000 0.000 0.266 259 T C -0.419 174.286 174.700 0.008 0.000 1.037 259 T CA 1.618 63.790 62.100 0.120 0.000 1.146 259 T CB -0.885 68.039 68.868 0.093 0.000 0.865 259 T HN 0.295 nan 8.240 nan 0.000 0.435 260 P HA -0.036 nan 4.420 nan 0.000 0.221 260 P C 0.252 177.424 177.300 -0.212 0.000 1.150 260 P CA 0.905 63.873 63.100 -0.220 0.000 0.800 260 P CB -0.163 31.331 31.700 -0.344 0.000 0.787 264 Q N 0.342 119.956 119.800 -0.311 0.000 2.472 264 Q HA 0.088 4.428 4.340 0.000 0.000 0.208 264 Q C 1.087 176.732 176.000 -0.591 0.000 0.958 264 Q CA 0.846 56.303 55.803 -0.576 0.000 0.932 264 Q CB 0.351 28.433 28.738 -1.092 0.000 1.007 264 Q HN 0.591 nan 8.270 nan 0.000 0.508 265 T N 0.182 114.551 114.554 -0.308 0.000 2.667 265 T HA -0.038 4.312 4.350 0.000 0.000 0.305 265 T C 0.473 175.242 174.700 0.114 0.000 1.022 265 T CA -0.080 62.033 62.100 0.022 0.000 0.995 265 T CB 0.445 69.390 68.868 0.128 0.000 1.026 265 T HN 0.039 nan 8.240 nan 0.000 0.527 266 D N -0.423 120.110 120.400 0.221 0.000 2.369 266 D HA 0.200 4.840 4.640 0.000 0.000 0.211 266 D C 0.167 176.472 176.300 0.008 0.000 1.077 266 D CA 0.030 54.080 54.000 0.083 0.000 0.842 266 D CB 0.048 40.862 40.800 0.023 0.000 0.947 266 D HN 0.374 nan 8.370 nan 0.000 0.509 267 F N 1.637 121.566 119.950 -0.037 0.000 2.545 267 F HA 0.000 4.527 4.527 0.000 0.000 0.348 267 F C 1.800 177.570 175.800 -0.050 0.000 1.163 267 F CA -0.459 57.506 58.000 -0.059 0.000 1.331 267 F CB 0.437 39.377 39.000 -0.101 0.000 1.138 267 F HN -0.230 nan 8.300 nan 0.000 0.602 268 S N 2.531 118.295 115.700 0.107 0.000 2.608 268 S HA 0.236 4.706 4.470 0.000 0.000 0.261 268 S C 1.252 175.891 174.600 0.065 0.000 1.314 268 S CA -1.004 57.232 58.200 0.060 0.000 0.992 268 S CB 0.966 64.187 63.200 0.034 0.000 0.935 268 S HN 0.574 nan 8.310 nan 0.000 0.564 269 R N 1.455 121.986 120.500 0.052 0.000 2.105 269 R HA -0.138 4.202 4.340 0.000 0.000 0.239 269 R C 1.824 178.161 176.300 0.063 0.000 1.135 269 R CA 1.980 58.116 56.100 0.060 0.000 0.967 269 R CB -1.175 29.157 30.300 0.054 0.000 0.861 269 R HN 0.954 nan 8.270 nan 0.000 0.442 270 E N 0.307 120.541 120.200 0.055 0.000 2.435 270 E HA -0.054 4.296 4.350 0.000 0.000 0.195 270 E C 1.694 178.333 176.600 0.065 0.000 1.029 270 E CA 0.474 56.910 56.400 0.059 0.000 0.865 270 E CB -0.140 29.592 29.700 0.052 0.000 0.833 270 E HN 0.321 nan 8.360 nan 0.000 0.510 271 Q N -0.086 119.752 119.800 0.063 0.000 2.137 271 Q HA 0.016 4.356 4.340 0.000 0.000 0.198 271 Q C 1.483 177.464 176.000 -0.033 0.000 0.960 271 Q CA 0.527 56.368 55.803 0.064 0.000 0.847 271 Q CB 0.077 28.887 28.738 0.121 0.000 0.915 271 Q HN 0.223 nan 8.270 nan 0.000 0.448 272 L N 1.233 122.404 121.223 -0.086 0.000 2.083 272 L HA -0.191 4.149 4.340 0.000 0.000 0.209 272 L C 2.141 178.863 176.870 -0.247 0.000 1.083 272 L CA 1.755 56.408 54.840 -0.311 0.000 0.752 272 L CB -0.830 41.116 42.059 -0.189 0.000 0.899 272 L HN 0.145 nan 8.230 nan 0.000 0.433 273 K N -0.005 120.414 120.400 0.033 0.000 1.991 273 K HA -0.222 4.098 4.320 0.000 0.000 0.212 273 K C 1.945 178.613 176.600 0.112 0.000 1.049 273 K CA 1.779 58.156 56.287 0.150 0.000 0.932 273 K CB -0.039 32.535 32.500 0.122 0.000 0.717 273 K HN 0.308 nan 8.250 nan 0.000 0.441 274 E N 0.043 120.297 120.200 0.090 0.000 2.086 274 E HA -0.245 4.105 4.350 0.000 0.000 0.205 274 E C 1.968 178.658 176.600 0.150 0.000 1.027 274 E CA 2.060 58.527 56.400 0.112 0.000 0.830 274 E CB -0.169 29.650 29.700 0.199 0.000 0.751 274 E HN 0.120 nan 8.360 nan 0.000 0.456 275 V N 0.563 120.541 119.914 0.107 0.000 2.287 275 V HA -0.256 3.864 4.120 0.000 0.000 0.248 275 V C 1.996 178.125 176.094 0.059 0.000 1.053 275 V CA 1.744 64.087 62.300 0.072 0.000 1.027 275 V CB -0.566 31.087 31.823 -0.284 0.000 0.646 275 V HN 0.186 nan 8.190 nan 0.000 0.447 276 F N 0.563 120.550 119.950 0.062 0.000 2.134 276 F HA -0.125 4.402 4.527 0.000 0.000 0.299 276 F C 2.423 178.231 175.800 0.014 0.000 1.097 276 F CA 1.629 59.637 58.000 0.013 0.000 1.264 276 F CB -0.848 38.151 39.000 -0.001 0.000 1.001 276 F HN 0.167 nan 8.300 nan 0.000 0.479 277 E N -0.378 119.950 120.200 0.214 0.000 2.051 277 E HA -0.227 4.123 4.350 0.000 0.000 0.192 277 E C 2.055 178.696 176.600 0.069 0.000 0.991 277 E CA 1.343 57.807 56.400 0.107 0.000 0.799 277 E CB -0.607 29.134 29.700 0.067 0.000 0.748 277 E HN 0.324 nan 8.360 nan 0.000 0.449 278 F N 0.751 120.663 119.950 -0.064 0.000 2.120 278 F HA -0.211 4.316 4.527 0.000 0.000 0.300 278 F C 1.696 177.449 175.800 -0.079 0.000 1.095 278 F CA 1.410 59.343 58.000 -0.113 0.000 1.249 278 F CB -0.092 38.823 39.000 -0.142 0.000 0.995 278 F HN -0.009 nan 8.300 nan 0.000 0.480 279 L N -0.491 120.687 121.223 -0.076 0.000 2.217 279 L HA -0.039 4.301 4.340 0.000 0.000 0.211 279 L C 2.246 179.022 176.870 -0.158 0.000 1.107 279 L CA 1.125 55.811 54.840 -0.258 0.000 0.783 279 L CB -1.111 40.836 42.059 -0.187 0.000 0.919 279 L HN 0.351 nan 8.230 nan 0.000 0.442 280 G N -2.059 106.701 108.800 -0.067 0.000 3.371 280 G HA2 -0.031 3.929 3.960 0.000 0.000 0.248 280 G HA3 -0.031 3.929 3.960 0.000 0.000 0.248 280 G C 1.385 176.254 174.900 -0.051 0.000 1.161 280 G CA 0.065 45.146 45.100 -0.031 0.000 0.796 280 G HN 0.133 nan 8.290 nan 0.000 0.539 281 S N -0.305 115.322 115.700 -0.123 0.000 2.383 281 S HA 0.105 4.575 4.470 0.000 0.000 0.227 281 S C 1.191 175.752 174.600 -0.065 0.000 1.026 281 S CA 1.161 59.289 58.200 -0.121 0.000 0.981 281 S CB -0.028 63.023 63.200 -0.248 0.000 0.818 281 S HN 0.477 nan 8.310 nan 0.000 0.472 282 S N -0.114 115.558 115.700 -0.045 0.000 2.537 282 S HA 0.333 4.803 4.470 0.000 0.000 0.271 282 S C -1.121 173.540 174.600 0.103 0.000 1.148 282 S CA -0.431 57.794 58.200 0.042 0.000 0.868 282 S CB 1.405 64.644 63.200 0.065 0.000 1.115 282 S HN 0.278 nan 8.310 nan 0.000 0.461 283 D N 1.687 122.178 120.400 0.151 0.000 2.319 283 D HA 0.038 4.678 4.640 0.000 0.000 0.230 283 D C 0.730 177.182 176.300 0.254 0.000 1.094 283 D CA 0.095 54.204 54.000 0.181 0.000 0.856 283 D CB -0.304 40.593 40.800 0.161 0.000 0.915 283 D HN 0.515 nan 8.370 nan 0.000 0.517 284 Y N -0.076 120.304 120.300 0.133 0.000 2.544 284 Y HA 0.104 4.654 4.550 0.000 0.000 0.286 284 Y C 1.380 177.357 175.900 0.129 0.000 1.141 284 Y CA -0.352 57.829 58.100 0.135 0.000 1.299 284 Y CB -0.305 38.226 38.460 0.118 0.000 1.030 284 Y HN -0.004 nan 8.280 nan 0.000 0.543 285 F N 0.787 120.706 119.950 -0.052 0.000 2.184 285 F HA -0.295 4.232 4.527 0.000 0.000 0.301 285 F C 2.393 178.080 175.800 -0.189 0.000 1.076 285 F CA 1.930 59.872 58.000 -0.096 0.000 1.295 285 F CB -0.535 38.447 39.000 -0.031 0.000 1.026 285 F HN 0.144 nan 8.300 nan 0.000 0.494 286 S N -0.873 114.601 115.700 -0.376 0.000 2.556 286 S HA 0.221 4.691 4.470 0.000 0.000 0.216 286 S C 2.190 176.301 174.600 -0.814 0.000 0.970 286 S CA 0.142 57.957 58.200 -0.641 0.000 0.912 286 S CB -0.728 62.269 63.200 -0.339 0.000 0.790 286 S HN 0.392 nan 8.310 nan 0.000 0.504 287 G N 3.299 111.642 108.800 -0.762 0.000 2.514 287 G HA2 -0.147 3.813 3.960 0.000 0.000 0.217 287 G HA3 -0.147 3.813 3.960 0.000 0.000 0.217 287 G C -0.682 173.899 174.900 -0.532 0.000 1.198 287 G CA 1.094 45.779 45.100 -0.693 0.000 0.780 287 G HN 0.527 nan 8.290 nan 0.000 0.565 288 P HA -0.045 nan 4.420 nan 0.000 0.216 288 P C 2.030 178.941 177.300 -0.649 0.000 1.150 288 P CA 1.844 64.682 63.100 -0.437 0.000 0.837 288 P CB -0.253 31.261 31.700 -0.311 0.000 0.786 289 T N -1.820 112.180 114.554 -0.923 0.000 2.684 289 T HA -0.172 4.178 4.350 0.000 0.000 0.267 289 T C 0.817 175.061 174.700 -0.759 0.000 1.036 289 T CA 0.968 62.420 62.100 -1.079 0.000 1.148 289 T CB -0.837 67.301 68.868 -1.217 0.000 0.863 289 T HN 0.174 nan 8.240 nan 0.000 0.436 293 A N 1.549 124.249 122.820 -0.201 0.000 1.858 293 A HA 0.353 4.673 4.320 0.000 0.000 0.216 293 A C 2.784 180.201 177.584 -0.279 0.000 1.190 293 A CA 2.851 54.779 52.037 -0.182 0.000 0.617 293 A CB -1.055 17.904 19.000 -0.069 0.000 0.827 293 A HN 1.378 nan 8.150 nan 0.000 0.443 294 A N -0.011 122.610 122.820 -0.332 0.000 1.892 294 A HA -0.251 4.069 4.320 0.000 0.000 0.218 294 A C 2.084 179.584 177.584 -0.140 0.000 1.188 294 A CA 2.756 54.568 52.037 -0.376 0.000 0.631 294 A CB -0.536 18.359 19.000 -0.174 0.000 0.822 294 A HN 0.504 nan 8.150 nan 0.000 0.447 295 K N 0.025 120.366 120.400 -0.098 0.000 2.044 295 K HA -0.189 4.131 4.320 0.000 0.000 0.210 295 K C 1.995 178.564 176.600 -0.053 0.000 1.049 295 K CA 1.993 58.253 56.287 -0.045 0.000 0.927 295 K CB -1.389 31.066 32.500 -0.075 0.000 0.713 295 K HN 0.496 nan 8.250 nan 0.000 0.443 296 C N 0.046 119.289 119.300 -0.097 0.000 2.429 296 C HA 0.067 4.527 4.460 0.000 0.000 0.277 296 C C 2.627 177.607 174.990 -0.017 0.000 1.262 296 C CA 1.279 60.250 59.018 -0.078 0.000 1.733 296 C CB -1.337 26.336 27.740 -0.111 0.000 2.010 296 C HN 0.585 nan 8.230 nan 0.000 0.483 297 A N -0.160 122.651 122.820 -0.014 0.000 1.897 297 A HA 0.053 4.373 4.320 0.000 0.000 0.215 297 A C 1.970 179.616 177.584 0.105 0.000 1.181 297 A CA 1.239 53.329 52.037 0.089 0.000 0.620 297 A CB -0.582 18.519 19.000 0.169 0.000 0.821 297 A HN 0.496 nan 8.150 nan 0.000 0.443 298 L N 0.271 121.546 121.223 0.087 0.000 2.156 298 L HA -0.092 4.248 4.340 0.000 0.000 0.208 298 L C 1.556 178.439 176.870 0.022 0.000 1.095 298 L CA 1.714 56.594 54.840 0.068 0.000 0.770 298 L CB -1.212 40.883 42.059 0.060 0.000 0.914 298 L HN 0.315 nan 8.230 nan 0.000 0.439 299 D N -0.373 120.033 120.400 0.011 0.000 2.178 299 D HA -0.093 4.547 4.640 0.000 0.000 0.201 299 D C 2.158 178.479 176.300 0.035 0.000 0.980 299 D CA 1.217 55.226 54.000 0.015 0.000 0.842 299 D CB 0.076 40.883 40.800 0.012 0.000 0.948 299 D HN 0.276 nan 8.370 nan 0.000 0.472 300 A N 0.136 122.961 122.820 0.007 0.000 2.168 300 A HA 0.126 4.446 4.320 0.000 0.000 0.215 300 A C 2.117 179.627 177.584 -0.123 0.000 1.152 300 A CA 1.445 53.437 52.037 -0.075 0.000 0.716 300 A CB -0.358 18.593 19.000 -0.081 0.000 0.794 300 A HN 0.277 nan 8.150 nan 0.000 0.465 301 G N -2.248 106.535 108.800 -0.028 0.000 3.126 301 G HA2 0.259 4.219 3.960 0.000 0.000 0.224 301 G HA3 0.259 4.219 3.960 0.000 0.000 0.224 301 G C 0.445 175.375 174.900 0.051 0.000 1.142 301 G CA -0.073 45.016 45.100 -0.019 0.000 0.759 301 G HN 0.526 nan 8.290 nan 0.000 0.550 302 H N 0.743 119.776 119.070 -0.062 0.000 2.544 302 H HA 0.277 4.833 4.556 0.000 0.000 0.365 302 H C 0.998 176.291 175.328 -0.058 0.000 1.268 302 H CA -0.628 55.387 56.048 -0.055 0.000 1.400 302 H CB 0.541 30.268 29.762 -0.059 0.000 1.538 302 H HN 0.035 nan 8.280 nan 0.000 0.597 303 N N 0.498 118.902 118.700 -0.494 0.000 2.735 303 N HA -0.176 4.564 4.740 0.000 0.000 0.248 303 N C -1.190 174.221 175.510 -0.165 0.000 1.083 303 N CA 0.868 53.712 53.050 -0.344 0.000 0.703 303 N CB -1.528 36.802 38.487 -0.261 0.000 1.005 303 N HN 0.175 nan 8.380 nan 0.000 0.550 304 V N 0.692 120.535 119.914 -0.120 0.000 2.364 304 V HA 0.125 4.245 4.120 0.000 0.000 0.272 304 V C 1.022 177.076 176.094 -0.066 0.000 1.036 304 V CA -0.736 61.518 62.300 -0.078 0.000 0.880 304 V CB 1.673 33.461 31.823 -0.058 0.000 0.991 304 V HN 0.149 nan 8.190 nan 0.000 0.460 305 E N 5.264 125.428 120.200 -0.059 0.000 2.558 305 E HA -0.066 4.284 4.350 0.000 0.000 0.255 305 E C 0.474 177.052 176.600 -0.037 0.000 0.968 305 E CA 0.384 56.756 56.400 -0.046 0.000 0.939 305 E CB 0.120 29.797 29.700 -0.039 0.000 0.921 305 E HN 0.762 nan 8.360 nan 0.000 0.477 306 N N 1.232 119.914 118.700 -0.031 0.000 2.984 306 N HA -0.190 4.550 4.740 0.000 0.000 0.227 306 N C -0.587 174.904 175.510 -0.031 0.000 0.903 306 N CA 1.235 54.268 53.050 -0.027 0.000 0.995 306 N CB -1.392 37.077 38.487 -0.031 0.000 1.065 306 N HN 0.399 nan 8.380 nan 0.000 0.585 307 S N 0.243 115.927 115.700 -0.027 0.000 2.537 307 S HA 0.468 4.938 4.470 0.000 0.000 0.275 307 S C 1.212 175.812 174.600 0.001 0.000 1.272 307 S CA 0.519 58.707 58.200 -0.021 0.000 1.050 307 S CB 1.090 64.280 63.200 -0.017 0.000 0.961 307 S HN 0.299 nan 8.310 nan 0.000 0.496 308 T N 2.658 117.214 114.554 0.004 0.000 3.214 308 T HA 0.398 4.748 4.350 0.000 0.000 0.264 308 T C 0.337 175.070 174.700 0.056 0.000 1.012 308 T CA -0.343 61.773 62.100 0.027 0.000 0.901 308 T CB -0.654 68.226 68.868 0.019 0.000 1.070 308 T HN 0.559 nan 8.240 nan 0.000 0.561 309 I N 1.912 122.517 120.570 0.057 0.000 2.396 309 I HA 0.305 4.475 4.170 0.000 0.000 0.292 309 I C 0.024 176.201 176.117 0.101 0.000 0.999 309 I CA -1.201 60.144 61.300 0.075 0.000 1.310 309 I CB 1.813 39.845 38.000 0.054 0.000 1.404 309 I HN -0.028 nan 8.210 nan 0.000 0.496 310 V N 5.538 125.526 119.914 0.124 0.000 2.470 310 V HA 0.036 4.156 4.120 0.000 0.000 0.276 310 V C 1.150 177.287 176.094 0.071 0.000 1.040 310 V CA 0.150 62.523 62.300 0.122 0.000 1.008 310 V CB 0.855 32.789 31.823 0.186 0.000 0.990 310 V HN 0.955 nan 8.190 nan 0.000 0.477 311 T N 0.083 114.649 114.554 0.020 0.000 3.054 311 T HA 0.235 4.586 4.350 0.000 0.000 0.255 311 T C 0.593 175.215 174.700 -0.129 0.000 1.035 311 T CA 0.011 62.080 62.100 -0.052 0.000 0.941 311 T CB 0.337 69.139 68.868 -0.109 0.000 1.026 311 T HN 0.597 nan 8.240 nan 0.000 0.533 315 R N 0.841 121.085 120.500 -0.426 0.000 2.764 315 R HA 0.652 4.992 4.340 0.000 0.000 0.270 315 R C -1.188 175.024 176.300 -0.147 0.000 1.014 315 R CA -0.178 55.728 56.100 -0.323 0.000 0.904 315 R CB 1.069 31.221 30.300 -0.246 0.000 1.236 315 R HN 1.109 nan 8.270 nan 0.000 0.466 316 N N -1.264 117.376 118.700 -0.100 0.000 2.377 316 N HA 0.199 4.939 4.740 0.000 0.000 0.259 316 N C 0.782 176.258 175.510 -0.057 0.000 1.332 316 N CA 0.125 53.140 53.050 -0.060 0.000 0.877 316 N CB 1.043 39.500 38.487 -0.050 0.000 1.299 316 N HN 1.012 nan 8.380 nan 0.000 0.501 317 G N -0.763 108.015 108.800 -0.036 0.000 2.383 317 G HA2 -0.348 3.612 3.960 0.000 0.000 0.229 317 G HA3 -0.348 3.612 3.960 0.000 0.000 0.229 317 G C 0.620 175.503 174.900 -0.028 0.000 1.089 317 G CA 0.485 45.568 45.100 -0.028 0.000 0.640 317 G HN 0.244 nan 8.290 nan 0.000 0.510 318 V N 0.396 120.284 119.914 -0.043 0.000 2.743 318 V HA 0.343 4.463 4.120 0.000 0.000 0.237 318 V C 1.045 177.138 176.094 -0.003 0.000 1.113 318 V CA 1.580 63.860 62.300 -0.034 0.000 1.141 318 V CB 0.335 32.119 31.823 -0.065 0.000 0.873 318 V HN 0.439 nan 8.190 nan 0.000 0.486 319 E N -0.563 119.629 120.200 -0.013 0.000 2.227 319 E HA 0.433 4.783 4.350 0.000 0.000 0.268 319 E C -1.690 174.940 176.600 0.050 0.000 0.907 319 E CA -0.661 55.754 56.400 0.025 0.000 0.786 319 E CB 2.738 32.430 29.700 -0.013 0.000 1.191 319 E HN 0.240 nan 8.360 nan 0.000 0.411 320 F N 0.711 120.655 119.950 -0.009 0.000 2.399 320 F HA 0.569 5.096 4.527 0.000 0.000 0.334 320 F C 0.292 176.097 175.800 0.009 0.000 1.097 320 F CA -0.003 58.001 58.000 0.007 0.000 1.076 320 F CB 1.372 40.390 39.000 0.030 0.000 1.162 320 F HN 0.438 nan 8.300 nan 0.000 0.495 321 G N 5.763 114.560 108.800 -0.004 0.000 2.620 321 G HA2 0.608 4.568 3.960 0.000 0.000 0.301 321 G HA3 0.608 4.568 3.960 0.000 0.000 0.301 321 G C -1.732 173.363 174.900 0.325 0.000 1.347 321 G CA -0.813 44.410 45.100 0.205 0.000 0.971 321 G HN 0.894 nan 8.290 nan 0.000 0.488 322 I N -1.639 119.181 120.570 0.418 0.000 2.892 322 I HA 0.897 5.067 4.170 0.000 0.000 0.306 322 I C -0.848 175.397 176.117 0.213 0.000 1.078 322 I CA -1.528 59.943 61.300 0.286 0.000 1.032 322 I CB 2.637 40.732 38.000 0.158 0.000 1.229 322 I HN 0.396 nan 8.210 nan 0.000 0.435 323 R N 2.597 123.096 120.500 -0.002 0.000 2.750 323 R HA 0.807 5.147 4.340 0.000 0.000 0.281 323 R C -1.578 174.764 176.300 0.070 0.000 0.972 323 R CA -0.898 55.146 56.100 -0.093 0.000 0.912 323 R CB 2.786 32.795 30.300 -0.484 0.000 1.187 323 R HN 0.529 nan 8.270 nan 0.000 0.464 324 V N 1.379 121.421 119.914 0.213 0.000 2.487 324 V HA 0.144 4.264 4.120 0.000 0.000 0.298 324 V C 1.115 177.344 176.094 0.225 0.000 1.028 324 V CA -0.401 62.021 62.300 0.205 0.000 0.860 324 V CB 1.728 33.662 31.823 0.184 0.000 0.991 324 V HN 0.992 nan 8.190 nan 0.000 0.427 325 S N 4.703 120.527 115.700 0.206 0.000 2.368 325 S HA -0.175 4.295 4.470 0.000 0.000 0.226 325 S C 2.031 176.607 174.600 -0.041 0.000 1.044 325 S CA 2.590 60.867 58.200 0.127 0.000 1.062 325 S CB -0.513 62.748 63.200 0.102 0.000 0.931 325 S HN 1.148 nan 8.310 nan 0.000 0.440 326 G N 0.145 108.947 108.800 0.004 0.000 2.498 326 G HA2 -0.045 3.915 3.960 0.000 0.000 0.219 326 G HA3 -0.045 3.915 3.960 0.000 0.000 0.219 326 G C 1.318 176.215 174.900 -0.006 0.000 1.119 326 G CA 0.847 45.938 45.100 -0.015 0.000 0.766 326 G HN 0.601 nan 8.290 nan 0.000 0.552 327 I N -0.146 120.449 120.570 0.041 0.000 2.867 327 I HA 0.295 4.465 4.170 0.000 0.000 0.265 327 I C 1.605 177.744 176.117 0.036 0.000 1.162 327 I CA 0.996 62.339 61.300 0.071 0.000 1.471 327 I CB 0.075 38.207 38.000 0.219 0.000 1.123 327 I HN 0.347 nan 8.210 nan 0.000 0.440 328 G N 0.055 108.803 108.800 -0.086 0.000 2.757 328 G HA2 0.110 4.070 3.960 0.000 0.000 0.638 328 G HA3 0.110 4.070 3.960 0.000 0.000 0.638 328 G C 0.488 175.318 174.900 -0.117 0.000 1.344 328 G CA -0.613 44.310 45.100 -0.295 0.000 0.855 328 G HN 0.810 nan 8.290 nan 0.000 0.537 329 G N 0.068 108.763 108.800 -0.176 0.000 2.629 329 G HA2 -0.292 3.668 3.960 0.000 0.000 0.335 329 G HA3 -0.292 3.668 3.960 0.000 0.000 0.335 329 G C 0.641 175.402 174.900 -0.231 0.000 1.347 329 G CA 1.004 46.006 45.100 -0.164 0.000 0.979 329 G HN 1.805 nan 8.290 nan 0.000 0.534 330 N N 1.470 119.895 118.700 -0.458 0.000 2.546 330 N HA 0.154 4.894 4.740 0.000 0.000 0.286 330 N C -0.414 174.656 175.510 -0.734 0.000 1.259 330 N CA -0.006 52.702 53.050 -0.570 0.000 0.939 330 N CB 0.080 38.406 38.487 -0.269 0.000 1.243 330 N HN 0.489 nan 8.380 nan 0.000 0.511 331 H N -0.107 118.697 119.070 -0.442 0.000 2.969 331 H HA 0.089 4.645 4.556 0.000 0.000 0.269 331 H C -0.071 174.873 175.328 -0.640 0.000 1.223 331 H CA -0.334 55.455 56.048 -0.431 0.000 1.400 331 H CB -0.052 29.510 29.762 -0.333 0.000 1.500 331 H HN 0.171 nan 8.280 nan 0.000 0.486 332 W N 2.980 124.113 121.300 -0.278 0.000 2.261 332 W HA 0.249 4.909 4.660 -0.000 0.000 0.323 332 W C -0.177 176.035 176.519 -0.512 0.000 1.243 332 W CA -0.476 56.701 57.345 -0.280 0.000 1.210 332 W CB 0.491 29.871 29.460 -0.132 0.000 1.149 332 W HN 0.355 nan 8.180 nan 0.000 0.562 333 F N 1.974 122.086 119.950 0.270 0.000 2.458 333 F HA 0.547 5.074 4.527 0.000 0.000 0.336 333 F C 0.583 176.478 175.800 0.158 0.000 1.114 333 F CA -0.974 57.116 58.000 0.150 0.000 0.987 333 F CB 1.475 40.502 39.000 0.045 0.000 1.130 333 F HN 0.132 nan 8.300 nan 0.000 0.458 334 T N -0.319 114.398 114.554 0.272 0.000 2.903 334 T HA 0.965 5.315 4.350 0.000 0.000 0.299 334 T C -0.435 174.352 174.700 0.146 0.000 1.093 334 T CA -0.829 61.384 62.100 0.189 0.000 1.002 334 T CB 2.013 70.947 68.868 0.110 0.000 1.127 334 T HN 0.956 nan 8.240 nan 0.000 0.488 335 G N 0.708 109.592 108.800 0.140 0.000 2.606 335 G HA2 0.714 4.674 3.960 0.000 0.000 0.300 335 G HA3 0.714 4.674 3.960 0.000 0.000 0.300 335 G C -3.366 171.599 174.900 0.108 0.000 1.360 335 G CA -1.325 43.835 45.100 0.101 0.000 0.783 335 G HN 0.695 nan 8.290 nan 0.000 0.484 336 P HA 0.395 nan 4.420 nan 0.000 0.268 336 P C 0.173 177.541 177.300 0.113 0.000 1.204 336 P CA 0.151 63.293 63.100 0.071 0.000 0.768 336 P CB 0.981 32.706 31.700 0.043 0.000 0.842 337 A N 3.973 126.867 122.820 0.123 0.000 2.462 337 A HA 0.166 4.486 4.320 0.000 0.000 0.243 337 A C 0.576 178.225 177.584 0.109 0.000 1.076 337 A CA -0.057 52.081 52.037 0.168 0.000 0.773 337 A CB -0.174 18.896 19.000 0.117 0.000 1.010 337 A HN 0.476 nan 8.150 nan 0.000 0.493 338 Q N 0.779 120.652 119.800 0.121 0.000 2.199 338 Q HA 0.323 4.663 4.340 0.000 0.000 0.232 338 Q C 0.012 176.043 176.000 0.052 0.000 0.969 338 Q CA -0.354 55.488 55.803 0.065 0.000 0.925 338 Q CB 0.724 29.491 28.738 0.048 0.000 1.198 338 Q HN 0.755 nan 8.270 nan 0.000 0.494 339 R N -0.166 120.352 120.500 0.029 0.000 2.615 339 R HA 0.368 4.708 4.340 0.000 0.000 0.270 339 R C -0.473 175.838 176.300 0.019 0.000 1.081 339 R CA -0.419 55.691 56.100 0.017 0.000 1.154 339 R CB 0.511 30.814 30.300 0.006 0.000 1.063 339 R HN 0.245 nan 8.270 nan 0.000 0.519 340 V N 4.416 124.334 119.914 0.007 0.000 2.347 340 V HA 0.264 4.384 4.120 0.000 0.000 0.280 340 V C 0.180 176.266 176.094 -0.013 0.000 1.021 340 V CA -0.651 61.648 62.300 -0.000 0.000 0.847 340 V CB 1.293 33.113 31.823 -0.006 0.000 0.990 340 V HN 0.501 nan 8.190 nan 0.000 0.444 341 I N 4.618 125.183 120.570 -0.009 0.000 2.315 341 I HA 0.798 4.968 4.170 0.000 0.000 0.291 341 I C 0.725 176.836 176.117 -0.011 0.000 1.006 341 I CA 0.371 61.667 61.300 -0.007 0.000 1.265 341 I CB 0.748 38.750 38.000 0.003 0.000 1.387 341 I HN 0.778 nan 8.210 nan 0.000 0.475 342 G N 7.345 116.135 108.800 -0.017 0.000 2.619 342 G HA2 0.706 4.666 3.960 0.000 0.000 0.305 342 G HA3 0.706 4.666 3.960 0.000 0.000 0.305 342 G C -3.139 171.755 174.900 -0.010 0.000 1.330 342 G CA -0.495 44.595 45.100 -0.016 0.000 0.789 342 G HN 0.372 nan 8.290 nan 0.000 0.487 346 A N 0.532 123.522 122.820 0.284 0.000 2.520 346 A HA 0.463 4.783 4.320 0.000 0.000 0.245 346 A C 1.167 178.730 177.584 -0.035 0.000 1.072 346 A CA 1.142 53.236 52.037 0.094 0.000 0.761 346 A CB -0.714 18.297 19.000 0.018 0.000 1.004 346 A HN 2.164 nan 8.150 nan 0.000 0.499 347 G N 0.754 109.495 108.800 -0.099 0.000 2.179 347 G HA2 -0.262 3.698 3.960 0.000 0.000 0.260 347 G HA3 -0.262 3.698 3.960 0.000 0.000 0.260 347 G C -0.034 174.641 174.900 -0.375 0.000 0.977 347 G CA 0.778 45.716 45.100 -0.269 0.000 0.641 347 G HN 0.857 nan 8.290 nan 0.000 0.533 348 Y N 0.259 120.591 120.300 0.054 0.000 2.409 348 Y HA 0.666 5.216 4.550 0.000 0.000 0.339 348 Y C 0.666 176.590 175.900 0.040 0.000 1.033 348 Y CA -0.062 58.070 58.100 0.053 0.000 1.094 348 Y CB 2.306 40.802 38.460 0.060 0.000 1.210 348 Y HN 0.179 nan 8.280 nan 0.000 0.456 349 T N 0.462 115.148 114.554 0.220 0.000 2.908 349 T HA 0.226 4.576 4.350 0.000 0.000 0.290 349 T C 0.503 175.255 174.700 0.087 0.000 1.034 349 T CA -0.765 61.406 62.100 0.118 0.000 1.010 349 T CB 1.506 70.421 68.868 0.078 0.000 1.068 349 T HN 0.656 nan 8.240 nan 0.000 0.481 350 Q N 1.345 121.173 119.800 0.046 0.000 2.248 350 Q HA -0.096 4.244 4.340 0.000 0.000 0.208 350 Q C 1.750 177.755 176.000 0.010 0.000 0.984 350 Q CA 1.711 57.525 55.803 0.017 0.000 0.875 350 Q CB -0.271 28.473 28.738 0.010 0.000 0.910 350 Q HN 0.857 nan 8.270 nan 0.000 0.433 351 E N 0.658 120.872 120.200 0.022 0.000 2.478 351 E HA -0.153 4.197 4.350 0.000 0.000 0.198 351 E C 0.025 176.624 176.600 -0.001 0.000 1.046 351 E CA 0.685 57.091 56.400 0.010 0.000 0.870 351 E CB 0.165 29.876 29.700 0.018 0.000 0.818 351 E HN 0.371 nan 8.360 nan 0.000 0.527 352 D N 0.486 120.900 120.400 0.023 0.000 2.349 352 D HA 0.136 4.776 4.640 0.000 0.000 0.214 352 D C 0.075 176.284 176.300 -0.152 0.000 1.063 352 D CA 0.157 54.153 54.000 -0.007 0.000 0.847 352 D CB 0.576 41.520 40.800 0.241 0.000 0.933 352 D HN 0.156 nan 8.370 nan 0.000 0.513 353 A N 0.470 123.233 122.820 -0.095 0.000 2.304 353 A HA 0.648 4.968 4.320 0.000 0.000 0.301 353 A C 0.869 178.385 177.584 -0.113 0.000 1.132 353 A CA -0.288 51.685 52.037 -0.108 0.000 0.819 353 A CB 0.867 19.826 19.000 -0.068 0.000 1.094 353 A HN 0.118 nan 8.150 nan 0.000 0.492 354 G N -0.045 108.695 108.800 -0.100 0.000 2.547 354 G HA2 0.518 4.478 3.960 0.000 0.000 0.291 354 G HA3 0.518 4.478 3.960 0.000 0.000 0.291 354 G C -0.051 174.830 174.900 -0.032 0.000 1.211 354 G CA -0.814 44.245 45.100 -0.068 0.000 0.950 354 G HN 0.730 nan 8.290 nan 0.000 0.504 355 L N -0.282 120.931 121.223 -0.017 0.000 2.475 355 L HA 0.212 4.552 4.340 0.000 0.000 0.253 355 L C 0.984 177.870 176.870 0.027 0.000 1.198 355 L CA -0.803 54.042 54.840 0.008 0.000 0.814 355 L CB 0.398 42.466 42.059 0.015 0.000 1.134 355 L HN 0.454 nan 8.230 nan 0.000 0.478 359 D N 0.445 120.836 120.400 -0.015 0.000 2.328 359 D HA 0.073 4.713 4.640 0.000 0.000 0.226 359 D C 2.411 178.707 176.300 -0.007 0.000 1.066 359 D CA 0.900 54.912 54.000 0.019 0.000 0.861 359 D CB 0.499 41.298 40.800 -0.001 0.000 0.912 359 D HN 0.356 nan 8.370 nan 0.000 0.521 360 S N -0.023 115.653 115.700 -0.041 0.000 2.447 360 S HA -0.065 4.405 4.470 0.000 0.000 0.233 360 S C 2.042 176.510 174.600 -0.219 0.000 1.006 360 S CA 0.596 58.685 58.200 -0.185 0.000 0.957 360 S CB -0.091 62.967 63.200 -0.238 0.000 0.773 360 S HN 0.228 nan 8.310 nan 0.000 0.507 361 A N 1.340 124.159 122.820 -0.002 0.000 2.172 361 A HA 0.145 4.465 4.320 0.000 0.000 0.216 361 A C 1.888 179.498 177.584 0.043 0.000 1.154 361 A CA 0.671 52.765 52.037 0.095 0.000 0.701 361 A CB -0.732 18.355 19.000 0.146 0.000 0.789 361 A HN 0.473 nan 8.150 nan 0.000 0.465 362 I N -0.323 120.261 120.570 0.024 0.000 2.530 362 I HA -0.172 3.998 4.170 0.000 0.000 0.257 362 I C 2.268 178.401 176.117 0.026 0.000 1.179 362 I CA 1.877 63.206 61.300 0.048 0.000 1.440 362 I CB -0.628 37.421 38.000 0.081 0.000 1.087 362 I HN 0.286 nan 8.210 nan 0.000 0.440 363 T N 1.105 115.648 114.554 -0.017 0.000 2.622 363 T HA -0.172 4.178 4.350 0.000 0.000 0.266 363 T C 1.691 176.409 174.700 0.029 0.000 1.047 363 T CA 1.923 64.030 62.100 0.011 0.000 1.159 363 T CB -0.197 68.614 68.868 -0.095 0.000 0.863 363 T HN 0.533 nan 8.240 nan 0.000 0.422 364 E N 0.762 120.939 120.200 -0.038 0.000 2.274 364 E HA -0.051 4.299 4.350 0.000 0.000 0.194 364 E C 2.070 178.284 176.600 -0.642 0.000 0.996 364 E CA 0.880 57.055 56.400 -0.375 0.000 0.840 364 E CB -0.968 28.524 29.700 -0.346 0.000 0.772 364 E HN 0.453 nan 8.360 nan 0.000 0.491 365 T N 0.861 115.264 114.554 -0.251 0.000 2.833 365 T HA -0.184 4.166 4.350 0.000 0.000 0.269 365 T C 1.522 176.171 174.700 -0.086 0.000 1.054 365 T CA 1.384 63.394 62.100 -0.150 0.000 1.135 365 T CB -0.421 68.444 68.868 -0.004 0.000 0.869 365 T HN 0.286 nan 8.240 nan 0.000 0.466 366 Y N 1.361 121.575 120.300 -0.143 0.000 2.286 366 Y HA 0.295 4.845 4.550 0.000 0.000 0.293 366 Y C 1.695 177.556 175.900 -0.064 0.000 1.124 366 Y CA 0.845 58.903 58.100 -0.070 0.000 1.178 366 Y CB 0.015 38.456 38.460 -0.032 0.000 1.010 366 Y HN 0.287 nan 8.280 nan 0.000 0.536 367 G N -0.547 108.154 108.800 -0.166 0.000 2.174 367 G HA2 -0.044 3.916 3.960 0.000 0.000 0.140 367 G HA3 -0.044 3.916 3.960 0.000 0.000 0.140 367 G C -0.507 174.441 174.900 0.080 0.000 1.031 367 G CA -0.009 45.030 45.100 -0.101 0.000 0.728 367 G HN 0.362 nan 8.290 nan 0.000 0.496 368 V N -0.984 118.993 119.914 0.104 0.000 3.426 368 V HA 0.956 5.076 4.120 0.000 0.000 0.305 368 V C 1.862 178.067 176.094 0.186 0.000 1.350 368 V CA 0.812 63.211 62.300 0.166 0.000 1.013 368 V CB 0.998 32.941 31.823 0.199 0.000 1.191 368 V HN 1.986 nan 8.190 nan 0.000 0.479 369 G N 0.692 109.610 108.800 0.197 0.000 2.596 369 G HA2 -0.241 3.719 3.960 0.000 0.000 0.295 369 G HA3 -0.241 3.719 3.960 0.000 0.000 0.295 369 G C 1.160 176.193 174.900 0.222 0.000 1.240 369 G CA 0.535 45.797 45.100 0.270 0.000 0.985 369 G HN 1.963 nan 8.290 nan 0.000 0.555 370 G N -0.754 108.181 108.800 0.224 0.000 2.485 370 G HA2 -0.020 3.940 3.960 0.000 0.000 0.221 370 G HA3 -0.020 3.940 3.960 0.000 0.000 0.221 370 G C 1.646 176.734 174.900 0.313 0.000 1.115 370 G CA 1.494 46.713 45.100 0.198 0.000 0.751 370 G HN 0.554 nan 8.290 nan 0.000 0.567 371 F N 1.034 121.019 119.950 0.059 0.000 2.661 371 F HA 0.374 4.902 4.527 0.000 0.000 0.298 371 F C 1.822 177.654 175.800 0.053 0.000 1.137 371 F CA -0.124 57.908 58.000 0.054 0.000 1.454 371 F CB 0.285 39.317 39.000 0.054 0.000 1.103 371 F HN 0.256 nan 8.300 nan 0.000 0.577 375 A N -0.095 122.736 122.820 0.019 0.000 2.169 375 A HA 0.614 4.935 4.320 0.000 0.000 0.212 375 A C 1.238 178.833 177.584 0.019 0.000 1.153 375 A CA 1.471 53.514 52.037 0.010 0.000 0.756 375 A CB -0.278 18.742 19.000 0.033 0.000 0.813 375 A HN 1.635 nan 8.150 nan 0.000 0.471 376 A N 0.161 123.000 122.820 0.031 0.000 3.248 376 A HA 0.565 4.885 4.320 0.000 0.000 0.315 376 A C -1.533 176.073 177.584 0.036 0.000 0.974 376 A CA -0.870 51.189 52.037 0.037 0.000 0.939 376 A CB 0.314 19.345 19.000 0.052 0.000 1.061 376 A HN 0.171 nan 8.150 nan 0.000 0.481 377 P HA -0.161 nan 4.420 nan 0.000 0.225 377 P C 1.522 178.840 177.300 0.031 0.000 1.148 377 P CA 1.528 64.643 63.100 0.025 0.000 0.779 377 P CB 0.178 31.885 31.700 0.012 0.000 0.780 378 A N 1.221 124.061 122.820 0.034 0.000 1.986 378 A HA -0.168 4.152 4.320 0.000 0.000 0.220 378 A C 2.083 179.696 177.584 0.048 0.000 1.171 378 A CA 1.621 53.682 52.037 0.040 0.000 0.640 378 A CB -1.506 17.520 19.000 0.044 0.000 0.811 378 A HN 0.417 nan 8.150 nan 0.000 0.451 379 I N -3.195 117.406 120.570 0.052 0.000 3.684 379 I HA 0.080 4.250 4.170 0.000 0.000 0.304 379 I C 1.456 177.605 176.117 0.053 0.000 1.278 379 I CA 0.114 61.449 61.300 0.058 0.000 1.272 379 I CB -0.228 37.807 38.000 0.059 0.000 1.029 379 I HN -0.025 nan 8.210 nan 0.000 0.458 380 V N 3.232 123.174 119.914 0.048 0.000 2.287 380 V HA -0.121 3.999 4.120 0.000 0.000 0.248 380 V C 0.183 176.306 176.094 0.048 0.000 1.053 380 V CA 2.383 64.711 62.300 0.047 0.000 1.027 380 V CB -1.842 30.006 31.823 0.041 0.000 0.646 380 V HN 0.451 nan 8.190 nan 0.000 0.447 381 P HA -0.106 nan 4.420 nan 0.000 0.226 381 P C 1.688 179.029 177.300 0.068 0.000 1.153 381 P CA 1.126 64.257 63.100 0.053 0.000 0.777 381 P CB 0.114 31.843 31.700 0.049 0.000 0.794 382 L N -1.307 119.961 121.223 0.074 0.000 2.354 382 L HA 0.151 4.491 4.340 0.000 0.000 0.212 382 L C 2.018 178.924 176.870 0.060 0.000 1.091 382 L CA 1.219 56.115 54.840 0.095 0.000 0.828 382 L CB -0.444 41.681 42.059 0.110 0.000 0.973 382 L HN -0.277 nan 8.230 nan 0.000 0.461 383 V N -0.198 119.742 119.914 0.043 0.000 3.621 383 V HA 0.544 4.664 4.120 0.000 0.000 0.263 383 V C 0.877 176.985 176.094 0.024 0.000 1.272 383 V CA 0.604 62.917 62.300 0.021 0.000 1.080 383 V CB -0.192 31.639 31.823 0.015 0.000 0.816 383 V HN 0.682 nan 8.190 nan 0.000 0.451 384 G N -0.791 108.032 108.800 0.038 0.000 2.662 384 G HA2 0.448 4.408 3.960 0.000 0.000 0.686 384 G HA3 0.448 4.408 3.960 0.000 0.000 0.686 384 G C 0.209 175.141 174.900 0.054 0.000 1.271 384 G CA -0.540 44.585 45.100 0.041 0.000 0.816 384 G HN 1.627 nan 8.290 nan 0.000 0.608 385 G N -1.221 107.611 108.800 0.053 0.000 2.582 385 G HA2 0.481 4.441 3.960 0.000 0.000 0.222 385 G HA3 0.481 4.441 3.960 0.000 0.000 0.222 385 G C 0.039 174.964 174.900 0.042 0.000 1.311 385 G CA 0.444 45.580 45.100 0.060 0.000 0.915 385 G HN 2.234 nan 8.290 nan 0.000 0.528 386 T N -0.190 114.384 114.554 0.034 0.000 2.948 386 T HA 0.594 4.944 4.350 0.000 0.000 0.285 386 T C 2.035 176.748 174.700 0.022 0.000 1.019 386 T CA 0.400 62.511 62.100 0.018 0.000 1.013 386 T CB 1.546 70.414 68.868 -0.001 0.000 1.117 386 T HN 1.881 nan 8.240 nan 0.000 0.533 387 V N -0.189 119.733 119.914 0.013 0.000 2.515 387 V HA -0.014 4.106 4.120 0.000 0.000 0.250 387 V C 2.545 178.636 176.094 -0.004 0.000 1.058 387 V CA 1.671 63.978 62.300 0.011 0.000 1.064 387 V CB -1.651 30.175 31.823 0.005 0.000 0.675 387 V HN 0.929 nan 8.190 nan 0.000 0.461 388 A N 0.767 123.576 122.820 -0.017 0.000 1.883 388 A HA -0.262 4.058 4.320 0.000 0.000 0.217 388 A C 2.121 179.667 177.584 -0.064 0.000 1.186 388 A CA 2.261 54.275 52.037 -0.039 0.000 0.624 388 A CB -0.740 18.235 19.000 -0.042 0.000 0.822 388 A HN 0.689 nan 8.150 nan 0.000 0.444 389 E N -0.399 119.764 120.200 -0.062 0.000 2.106 389 E HA -0.032 4.318 4.350 0.000 0.000 0.192 389 E C 2.254 178.839 176.600 -0.026 0.000 0.984 389 E CA 0.868 57.197 56.400 -0.119 0.000 0.806 389 E CB -0.280 29.382 29.700 -0.064 0.000 0.750 389 E HN 0.631 nan 8.360 nan 0.000 0.458 390 A N 0.933 123.787 122.820 0.057 0.000 1.933 390 A HA -0.146 4.174 4.320 0.000 0.000 0.218 390 A C 2.137 179.762 177.584 0.068 0.000 1.175 390 A CA 1.014 53.117 52.037 0.110 0.000 0.628 390 A CB -0.495 18.551 19.000 0.076 0.000 0.814 390 A HN 0.127 nan 8.150 nan 0.000 0.444 391 L N -0.933 120.296 121.223 0.009 0.000 2.044 391 L HA -0.156 4.184 4.340 0.000 0.000 0.205 391 L C 2.465 179.315 176.870 -0.033 0.000 1.075 391 L CA 1.458 56.291 54.840 -0.013 0.000 0.747 391 L CB -0.665 41.375 42.059 -0.032 0.000 0.903 391 L HN 0.387 nan 8.230 nan 0.000 0.435 392 N N -0.527 118.121 118.700 -0.086 0.000 2.094 392 N HA -0.255 4.485 4.740 0.000 0.000 0.191 392 N C 1.812 177.247 175.510 -0.125 0.000 1.023 392 N CA 1.616 54.577 53.050 -0.149 0.000 0.857 392 N CB -0.201 38.121 38.487 -0.275 0.000 1.013 392 N HN 0.188 nan 8.380 nan 0.000 0.426 393 Y N 0.406 120.668 120.300 -0.064 0.000 2.181 393 Y HA -0.052 4.498 4.550 0.000 0.000 0.288 393 Y C 2.745 178.567 175.900 -0.130 0.000 1.146 393 Y CA 1.051 59.094 58.100 -0.094 0.000 1.164 393 Y CB -0.714 37.704 38.460 -0.069 0.000 0.982 393 Y HN 0.040 nan 8.280 nan 0.000 0.515 394 S N -0.267 115.477 115.700 0.072 0.000 2.359 394 S HA -0.217 4.253 4.470 0.000 0.000 0.224 394 S C 2.019 176.599 174.600 -0.034 0.000 1.035 394 S CA 1.498 59.702 58.200 0.007 0.000 1.018 394 S CB -0.227 62.989 63.200 0.027 0.000 0.876 394 S HN 0.397 nan 8.310 nan 0.000 0.448 395 K N 1.070 121.450 120.400 -0.033 0.000 2.147 395 K HA -0.091 4.229 4.320 0.000 0.000 0.205 395 K C 1.142 177.706 176.600 -0.060 0.000 1.049 395 K CA 0.876 57.136 56.287 -0.044 0.000 0.936 395 K CB -0.025 32.447 32.500 -0.047 0.000 0.722 395 K HN 0.671 nan 8.250 nan 0.000 0.446 399 E N 1.577 121.751 120.200 -0.043 0.000 2.268 399 E HA -0.059 4.291 4.350 0.000 0.000 0.195 399 E C 1.565 178.150 176.600 -0.025 0.000 0.995 399 E CA 1.665 58.046 56.400 -0.032 0.000 0.836 399 E CB 0.236 29.912 29.700 -0.041 0.000 0.763 399 E HN 0.688 nan 8.360 nan 0.000 0.491 400 I N -2.088 118.465 120.570 -0.029 0.000 4.025 400 I HA 0.190 4.360 4.170 0.000 0.000 0.336 400 I C 0.522 176.665 176.117 0.043 0.000 1.390 400 I CA -0.412 60.881 61.300 -0.011 0.000 1.099 400 I CB 0.446 38.421 38.000 -0.042 0.000 1.049 400 I HN -0.177 nan 8.210 nan 0.000 0.394 401 T N -2.840 111.744 114.554 0.052 0.000 2.870 401 T HA 0.466 4.816 4.350 0.000 0.000 0.277 401 T C 0.707 175.437 174.700 0.049 0.000 1.000 401 T CA -0.076 62.075 62.100 0.085 0.000 0.982 401 T CB 1.804 70.751 68.868 0.131 0.000 1.249 401 T HN 0.016 nan 8.240 nan 0.000 0.589 402 T N 0.109 114.688 114.554 0.042 0.000 3.045 402 T HA 0.276 4.626 4.350 0.000 0.000 0.239 402 T C 0.509 175.220 174.700 0.018 0.000 1.008 402 T CA 0.448 62.562 62.100 0.023 0.000 1.143 402 T CB -0.198 68.679 68.868 0.015 0.000 0.894 402 T HN 0.883 nan 8.240 nan 0.000 0.451 403 K N 0.401 120.811 120.400 0.018 0.000 2.614 403 K HA 0.500 4.820 4.320 0.000 0.000 0.293 403 K C -1.897 174.711 176.600 0.013 0.000 1.045 403 K CA -0.961 55.336 56.287 0.015 0.000 0.880 403 K CB 1.251 33.758 32.500 0.012 0.000 1.552 403 K HN -0.113 nan 8.250 nan 0.000 0.404 404 E N 1.032 121.241 120.200 0.015 0.000 2.283 404 E HA 0.110 4.460 4.350 0.000 0.000 0.278 404 E C -0.865 175.739 176.600 0.007 0.000 1.027 404 E CA -0.793 55.617 56.400 0.016 0.000 0.843 404 E CB 0.959 30.675 29.700 0.027 0.000 1.062 404 E HN 0.359 nan 8.360 nan 0.000 0.401 405 N N 4.603 123.297 118.700 -0.010 0.000 2.402 405 N HA 0.067 4.807 4.740 0.000 0.000 0.252 405 N C -1.854 173.669 175.510 0.021 0.000 1.118 405 N CA -2.066 50.976 53.050 -0.014 0.000 0.945 405 N CB 0.898 39.341 38.487 -0.074 0.000 1.147 405 N HN 0.257 nan 8.380 nan 0.000 0.495 406 P HA -0.025 nan 4.420 nan 0.000 0.233 406 P C 0.163 177.494 177.300 0.052 0.000 1.167 406 P CA 0.726 63.854 63.100 0.046 0.000 0.770 406 P CB 0.512 32.234 31.700 0.037 0.000 0.837 407 N N -0.226 118.501 118.700 0.046 0.000 2.422 407 N HA 0.044 4.784 4.740 0.000 0.000 0.181 407 N C 0.168 175.704 175.510 0.044 0.000 1.080 407 N CA 0.521 53.598 53.050 0.045 0.000 0.893 407 N CB 0.668 39.185 38.487 0.050 0.000 0.973 407 N HN 0.101 nan 8.380 nan 0.000 0.456 408 V N 1.381 121.328 119.914 0.054 0.000 2.482 408 V HA 0.316 4.436 4.120 0.000 0.000 0.295 408 V C -0.012 176.137 176.094 0.093 0.000 1.026 408 V CA -0.742 61.590 62.300 0.053 0.000 0.856 408 V CB 1.638 33.497 31.823 0.061 0.000 1.001 408 V HN 0.142 nan 8.190 nan 0.000 0.424 409 T N 2.227 116.879 114.554 0.163 0.000 2.916 409 T HA 0.838 5.188 4.350 0.000 0.000 0.292 409 T C -0.766 174.081 174.700 0.245 0.000 1.064 409 T CA -0.746 61.498 62.100 0.239 0.000 1.011 409 T CB 2.106 71.200 68.868 0.376 0.000 1.152 409 T HN 0.309 nan 8.240 nan 0.000 0.510 410 I N 2.629 123.258 120.570 0.097 0.000 2.382 410 I HA 0.335 4.505 4.170 0.000 0.000 0.285 410 I C -1.953 173.967 176.117 -0.327 0.000 1.007 410 I CA -2.688 58.587 61.300 -0.042 0.000 1.142 410 I CB 2.409 40.392 38.000 -0.030 0.000 1.289 410 I HN 0.462 nan 8.210 nan 0.000 0.453 411 P HA -0.090 nan 4.420 nan 0.000 0.222 411 P C 1.633 178.437 177.300 -0.826 0.000 1.153 411 P CA 0.587 62.878 63.100 -1.349 0.000 0.798 411 P CB 0.475 31.534 31.700 -1.069 0.000 0.796 412 V N -0.638 119.024 119.914 -0.420 0.000 2.626 412 V HA -0.094 4.026 4.120 0.000 0.000 0.252 412 V C 1.197 177.162 176.094 -0.215 0.000 1.067 412 V CA 1.401 63.545 62.300 -0.260 0.000 1.081 412 V CB -0.829 30.904 31.823 -0.149 0.000 0.686 412 V HN -0.063 nan 8.190 nan 0.000 0.468 413 L N 1.018 122.111 121.223 -0.217 0.000 2.928 413 L HA 0.380 4.720 4.340 0.000 0.000 0.236 413 L C 0.786 177.580 176.870 -0.127 0.000 1.290 413 L CA 0.284 55.044 54.840 -0.133 0.000 1.099 413 L CB -1.178 40.833 42.059 -0.080 0.000 1.437 413 L HN 0.330 nan 8.230 nan 0.000 0.493 414 D N -0.617 119.662 120.400 -0.202 0.000 3.012 414 D HA -0.291 4.349 4.640 0.000 0.000 0.222 414 D C 0.157 176.578 176.300 0.201 0.000 1.167 414 D CA 0.783 54.779 54.000 -0.006 0.000 0.854 414 D CB -0.954 39.890 40.800 0.075 0.000 1.107 414 D HN 0.240 nan 8.370 nan 0.000 0.421 418 I N -0.204 120.388 120.570 0.037 0.000 2.752 418 I HA 0.372 4.542 4.170 0.000 0.000 0.287 418 I C -2.092 174.045 176.117 0.033 0.000 1.188 418 I CA -1.564 59.759 61.300 0.039 0.000 1.427 418 I CB 0.811 38.823 38.000 0.021 0.000 1.365 418 I HN 0.158 nan 8.210 nan 0.000 0.585 419 P HA 0.153 nan 4.420 nan 0.000 0.276 419 P C -0.759 176.620 177.300 0.131 0.000 1.264 419 P CA 0.060 63.227 63.100 0.111 0.000 0.769 419 P CB 0.812 32.590 31.700 0.131 0.000 0.840 420 T N 1.449 116.028 114.554 0.042 0.000 2.885 420 T HA 0.640 4.990 4.350 0.000 0.000 0.285 420 T C 0.295 175.009 174.700 0.023 0.000 1.019 420 T CA -0.037 62.052 62.100 -0.019 0.000 1.010 420 T CB 1.468 70.270 68.868 -0.110 0.000 1.022 420 T HN 0.627 nan 8.240 nan 0.000 0.466 421 G N 2.525 111.337 108.800 0.020 0.000 2.689 421 G HA2 -0.180 3.780 3.960 0.000 0.000 0.273 421 G HA3 -0.180 3.780 3.960 0.000 0.000 0.273 421 G C -0.184 174.767 174.900 0.085 0.000 1.062 421 G CA -0.835 44.291 45.100 0.043 0.000 1.279 421 G HN 0.816 nan 8.290 nan 0.000 0.547 422 I N 1.358 121.999 120.570 0.119 0.000 2.662 422 I HA 0.080 4.250 4.170 0.000 0.000 0.285 422 I C 0.587 176.782 176.117 0.130 0.000 1.161 422 I CA 0.243 61.642 61.300 0.164 0.000 1.415 422 I CB 0.613 38.742 38.000 0.216 0.000 1.385 422 I HN 0.367 nan 8.210 nan 0.000 0.552 423 D N 6.530 126.987 120.400 0.095 0.000 2.329 423 D HA 0.192 4.832 4.640 0.000 0.000 0.232 423 D C 0.874 177.218 176.300 0.074 0.000 1.088 423 D CA -0.493 53.552 54.000 0.075 0.000 0.835 423 D CB 1.715 42.541 40.800 0.044 0.000 1.078 423 D HN 0.236 nan 8.370 nan 0.000 0.495 424 V N 4.083 124.070 119.914 0.122 0.000 2.220 424 V HA -0.313 3.807 4.120 0.000 0.000 0.250 424 V C 2.393 178.523 176.094 0.060 0.000 1.056 424 V CA 1.328 63.718 62.300 0.149 0.000 1.016 424 V CB -0.659 31.262 31.823 0.162 0.000 0.639 424 V HN 0.557 nan 8.190 nan 0.000 0.446 425 L N -0.203 121.054 121.223 0.058 0.000 2.030 425 L HA -0.284 4.056 4.340 0.000 0.000 0.222 425 L C 2.414 179.301 176.870 0.030 0.000 1.082 425 L CA 2.082 56.956 54.840 0.057 0.000 0.785 425 L CB -1.115 41.004 42.059 0.101 0.000 0.895 425 L HN 0.374 nan 8.230 nan 0.000 0.439 426 K N -1.345 119.067 120.400 0.021 0.000 2.097 426 K HA -0.091 4.229 4.320 0.000 0.000 0.205 426 K C 2.031 178.595 176.600 -0.060 0.000 1.050 426 K CA 1.121 57.405 56.287 -0.004 0.000 0.938 426 K CB -0.335 32.169 32.500 0.007 0.000 0.718 426 K HN 0.147 nan 8.250 nan 0.000 0.442 427 V N 1.596 121.439 119.914 -0.118 0.000 2.332 427 V HA -0.243 3.877 4.120 0.000 0.000 0.248 427 V C 2.162 178.136 176.094 -0.200 0.000 1.055 427 V CA 1.440 63.587 62.300 -0.254 0.000 1.038 427 V CB -0.355 31.112 31.823 -0.593 0.000 0.651 427 V HN 0.216 nan 8.190 nan 0.000 0.450 428 L N 0.618 121.769 121.223 -0.120 0.000 2.027 428 L HA -0.128 4.212 4.340 0.000 0.000 0.206 428 L C 2.510 179.353 176.870 -0.045 0.000 1.074 428 L CA 2.335 57.139 54.840 -0.061 0.000 0.745 428 L CB -1.201 40.851 42.059 -0.012 0.000 0.898 428 L HN 0.692 nan 8.230 nan 0.000 0.433 429 E N -2.765 117.416 120.200 -0.033 0.000 2.482 429 E HA -0.100 4.250 4.350 0.000 0.000 0.196 429 E C 1.682 178.262 176.600 -0.033 0.000 1.047 429 E CA 1.171 57.557 56.400 -0.025 0.000 0.869 429 E CB -0.150 29.543 29.700 -0.012 0.000 0.836 429 E HN 0.209 nan 8.360 nan 0.000 0.520 430 T N -1.124 113.401 114.554 -0.048 0.000 2.999 430 T HA 0.435 4.785 4.350 0.000 0.000 0.247 430 T C 0.591 175.258 174.700 -0.054 0.000 1.012 430 T CA 0.699 62.770 62.100 -0.049 0.000 1.048 430 T CB 0.067 68.901 68.868 -0.056 0.000 1.020 430 T HN 0.543 nan 8.240 nan 0.000 0.478 434 P HA 0.137 nan 4.420 nan 0.000 0.264 434 P C -0.539 176.845 177.300 0.139 0.000 1.183 434 P CA -0.029 63.191 63.100 0.198 0.000 0.763 434 P CB 0.651 32.586 31.700 0.391 0.000 0.807 435 V N 5.464 125.435 119.914 0.095 0.000 2.407 435 V HA 0.384 4.504 4.120 0.000 0.000 0.278 435 V C -0.355 175.810 176.094 0.119 0.000 1.037 435 V CA -0.493 61.770 62.300 -0.062 0.000 0.900 435 V CB 0.081 31.613 31.823 -0.485 0.000 0.983 435 V HN 0.323 nan 8.190 nan 0.000 0.459 436 I N 6.878 127.493 120.570 0.074 0.000 2.378 436 I HA 0.426 4.596 4.170 0.000 0.000 0.291 436 I C -0.365 175.750 176.117 -0.004 0.000 0.992 436 I CA -0.583 60.787 61.300 0.117 0.000 1.154 436 I CB 1.870 39.987 38.000 0.195 0.000 1.315 436 I HN 0.836 nan 8.210 nan 0.000 0.448 437 N N 4.052 122.703 118.700 -0.083 0.000 2.421 437 N HA 0.598 5.338 4.740 0.000 0.000 0.285 437 N C -0.771 174.521 175.510 -0.363 0.000 1.027 437 N CA -0.324 52.621 53.050 -0.175 0.000 0.918 437 N CB 2.003 40.408 38.487 -0.138 0.000 1.152 437 N HN 0.517 nan 8.380 nan 0.000 0.485 438 T N 0.134 114.566 114.554 -0.203 0.000 2.821 438 T HA 0.705 5.055 4.350 0.000 0.000 0.306 438 T C -1.126 173.547 174.700 -0.046 0.000 1.313 438 T CA -0.510 61.502 62.100 -0.146 0.000 1.012 438 T CB 0.886 69.770 68.868 0.026 0.000 1.298 438 T HN 0.844 nan 8.240 nan 0.000 0.502 439 A N 2.181 125.018 122.820 0.029 0.000 2.366 439 A HA 0.708 5.028 4.320 0.000 0.000 0.249 439 A C 0.165 177.745 177.584 -0.007 0.000 1.084 439 A CA -0.444 51.603 52.037 0.017 0.000 0.794 439 A CB -0.243 18.816 19.000 0.098 0.000 1.034 439 A HN 0.891 nan 8.150 nan 0.000 0.491 440 I N -1.489 119.023 120.570 -0.096 0.000 2.545 440 I HA 0.802 4.972 4.170 0.000 0.000 0.292 440 I C -0.267 175.758 176.117 -0.155 0.000 1.040 440 I CA -0.784 60.456 61.300 -0.101 0.000 1.068 440 I CB 1.946 39.876 38.000 -0.117 0.000 1.251 440 I HN 0.669 nan 8.210 nan 0.000 0.424 441 A N 4.073 126.846 122.820 -0.077 0.000 2.356 441 A HA 0.557 4.877 4.320 0.000 0.000 0.323 441 A C -0.861 176.677 177.584 -0.075 0.000 1.119 441 A CA -0.600 51.384 52.037 -0.088 0.000 0.790 441 A CB 0.804 19.866 19.000 0.103 0.000 1.273 441 A HN 0.910 nan 8.150 nan 0.000 0.452 442 H N 0.455 119.400 119.070 -0.207 0.000 2.871 442 H HA 0.170 4.726 4.556 0.000 0.000 0.355 442 H C 1.502 176.791 175.328 -0.066 0.000 1.092 442 H CA 1.138 57.092 56.048 -0.158 0.000 1.420 442 H CB 0.986 30.640 29.762 -0.180 0.000 1.400 442 H HN 0.686 nan 8.280 nan 0.000 0.604 443 K N 2.197 122.296 120.400 -0.500 0.000 2.217 443 K HA -0.007 4.313 4.320 0.000 0.000 0.202 443 K C -0.007 176.491 176.600 -0.170 0.000 1.051 443 K CA 0.957 57.078 56.287 -0.277 0.000 0.952 443 K CB 0.314 32.662 32.500 -0.253 0.000 0.736 443 K HN 0.409 nan 8.250 nan 0.000 0.453 444 E N 2.196 122.295 120.200 -0.168 0.000 2.331 444 E HA 0.180 4.530 4.350 0.000 0.000 0.272 444 E C -2.413 174.301 176.600 0.191 0.000 1.036 444 E CA -2.555 53.929 56.400 0.141 0.000 0.864 444 E CB 0.960 30.869 29.700 0.347 0.000 1.035 444 E HN 0.078 nan 8.360 nan 0.000 0.408 445 P HA 0.082 nan 4.420 nan 0.000 0.271 445 P C 0.708 178.073 177.300 0.108 0.000 1.226 445 P CA 0.553 63.714 63.100 0.101 0.000 0.765 445 P CB 0.608 32.352 31.700 0.074 0.000 0.835 446 G N 3.199 112.073 108.800 0.123 0.000 2.336 446 G HA2 -0.353 3.607 3.960 0.000 0.000 0.233 446 G HA3 -0.353 3.607 3.960 0.000 0.000 0.233 446 G C 0.972 175.899 174.900 0.046 0.000 1.053 446 G CA 0.225 45.389 45.100 0.107 0.000 0.625 446 G HN 0.438 nan 8.290 nan 0.000 0.511 447 I N 2.513 123.090 120.570 0.011 0.000 2.399 447 I HA 0.255 4.425 4.170 0.000 0.000 0.254 447 I C 2.079 178.076 176.117 -0.200 0.000 1.146 447 I CA 2.217 63.452 61.300 -0.107 0.000 1.412 447 I CB -0.858 36.968 38.000 -0.289 0.000 1.076 447 I HN 1.679 nan 8.210 nan 0.000 0.432 451 G N 1.255 109.313 108.800 -1.237 0.000 2.336 451 G HA2 0.804 4.764 3.960 0.000 0.000 0.286 451 G HA3 0.804 4.764 3.960 0.000 0.000 0.286 451 G C -1.997 172.541 174.900 -0.603 0.000 1.269 451 G CA 0.052 44.537 45.100 -1.025 0.000 0.873 451 G HN 1.061 nan 8.290 nan 0.000 0.494 452 A N -2.029 120.605 122.820 -0.310 0.000 2.601 452 A HA 1.152 5.472 4.320 0.000 0.000 0.291 452 A C 0.019 177.549 177.584 -0.089 0.000 1.075 452 A CA 0.480 52.425 52.037 -0.154 0.000 0.671 452 A CB 1.233 20.178 19.000 -0.091 0.000 1.277 452 A HN 2.710 nan 8.150 nan 0.000 0.417 453 G N -0.900 107.862 108.800 -0.063 0.000 2.335 453 G HA2 0.581 4.541 3.960 0.000 0.000 0.291 453 G HA3 0.581 4.541 3.960 0.000 0.000 0.291 453 G C -2.351 172.522 174.900 -0.045 0.000 1.261 453 G CA -0.555 44.519 45.100 -0.043 0.000 0.871 453 G HN 1.022 nan 8.290 nan 0.000 0.491 454 L N 0.368 121.569 121.223 -0.036 0.000 2.334 454 L HA 0.939 5.279 4.340 0.000 0.000 0.273 454 L C 0.605 177.459 176.870 -0.026 0.000 1.013 454 L CA -0.540 54.270 54.840 -0.051 0.000 0.816 454 L CB 1.454 43.465 42.059 -0.080 0.000 1.278 454 L HN 0.939 nan 8.230 nan 0.000 0.431 455 T N 1.757 116.301 114.554 -0.016 0.000 2.711 455 T HA 0.686 5.036 4.350 0.000 0.000 0.302 455 T C -1.467 173.245 174.700 0.021 0.000 1.373 455 T CA -0.569 61.541 62.100 0.015 0.000 1.000 455 T CB 1.369 70.269 68.868 0.055 0.000 1.483 455 T HN 0.721 nan 8.240 nan 0.000 0.499 456 N N 0.875 119.587 118.700 0.019 0.000 2.647 456 N HA 0.627 5.367 4.740 0.000 0.000 0.266 456 N C -2.993 172.442 175.510 -0.125 0.000 1.373 456 N CA -1.492 51.554 53.050 -0.006 0.000 0.807 456 N CB 1.803 40.278 38.487 -0.021 0.000 1.513 456 N HN 0.375 nan 8.380 nan 0.000 0.505 457 P HA 0.212 nan 4.420 nan 0.000 0.272 457 P C -2.698 174.393 177.300 -0.349 0.000 1.230 457 P CA -0.943 61.606 63.100 -0.919 0.000 0.788 457 P CB -0.156 31.037 31.700 -0.844 0.000 0.949 458 P HA 0.136 nan 4.420 nan 0.000 0.282 458 P C 0.410 177.722 177.300 0.020 0.000 1.249 458 P CA -0.227 62.823 63.100 -0.084 0.000 0.806 458 P CB 0.723 32.395 31.700 -0.046 0.000 0.984 459 A N 3.818 126.678 122.820 0.067 0.000 1.933 459 A HA -0.215 4.105 4.320 0.000 0.000 0.218 459 A C 1.911 179.584 177.584 0.148 0.000 1.175 459 A CA 1.778 53.904 52.037 0.148 0.000 0.628 459 A CB -1.521 17.525 19.000 0.077 0.000 0.814 459 A HN 0.747 nan 8.150 nan 0.000 0.444 460 N N 0.409 119.151 118.700 0.071 0.000 2.247 460 N HA -0.152 4.588 4.740 0.000 0.000 0.189 460 N C 1.454 176.982 175.510 0.031 0.000 1.009 460 N CA 1.802 54.883 53.050 0.052 0.000 0.872 460 N CB -0.706 37.808 38.487 0.045 0.000 0.980 460 N HN 0.305 nan 8.380 nan 0.000 0.436 461 V N -0.302 119.602 119.914 -0.017 0.000 2.951 461 V HA 0.015 4.135 4.120 0.000 0.000 0.255 461 V C 1.422 177.327 176.094 -0.315 0.000 1.088 461 V CA 0.692 62.916 62.300 -0.125 0.000 1.109 461 V CB -0.590 31.132 31.823 -0.169 0.000 0.724 461 V HN 0.074 nan 8.190 nan 0.000 0.471 462 F N 0.623 120.541 119.950 -0.053 0.000 2.293 462 F HA 0.017 4.544 4.527 0.000 0.000 0.297 462 F C 2.079 177.808 175.800 -0.118 0.000 1.089 462 F CA 1.490 59.436 58.000 -0.089 0.000 1.377 462 F CB -0.660 38.310 39.000 -0.051 0.000 1.051 462 F HN 0.238 nan 8.300 nan 0.000 0.511 463 N N 0.221 118.964 118.700 0.071 0.000 2.120 463 N HA -0.168 4.572 4.740 0.000 0.000 0.188 463 N C 1.607 177.078 175.510 -0.065 0.000 1.024 463 N CA 1.284 54.342 53.050 0.014 0.000 0.852 463 N CB -0.192 38.313 38.487 0.030 0.000 1.003 463 N HN 0.356 nan 8.380 nan 0.000 0.424 464 E N 0.820 120.958 120.200 -0.104 0.000 2.072 464 E HA -0.110 4.240 4.350 0.000 0.000 0.191 464 E C 2.103 178.445 176.600 -0.429 0.000 0.985 464 E CA 0.866 57.190 56.400 -0.127 0.000 0.801 464 E CB -0.060 29.666 29.700 0.044 0.000 0.750 464 E HN 0.368 nan 8.360 nan 0.000 0.452 465 A N 1.154 123.483 122.820 -0.818 0.000 1.933 465 A HA -0.177 4.143 4.320 0.000 0.000 0.218 465 A C 2.168 179.508 177.584 -0.406 0.000 1.175 465 A CA 1.095 52.479 52.037 -1.089 0.000 0.628 465 A CB -0.509 17.951 19.000 -0.899 0.000 0.814 465 A HN 0.255 nan 8.150 nan 0.000 0.444 466 L N -0.195 120.904 121.223 -0.206 0.000 2.005 466 L HA -0.129 4.211 4.340 0.000 0.000 0.207 466 L C 2.251 179.083 176.870 -0.064 0.000 1.072 466 L CA 2.377 57.166 54.840 -0.084 0.000 0.744 466 L CB -0.472 41.573 42.059 -0.024 0.000 0.895 466 L HN 0.320 nan 8.230 nan 0.000 0.433 467 K N -0.044 120.321 120.400 -0.058 0.000 2.089 467 K HA -0.230 4.090 4.320 0.000 0.000 0.210 467 K C 2.049 178.644 176.600 -0.009 0.000 1.048 467 K CA 1.658 57.932 56.287 -0.022 0.000 0.926 467 K CB -0.548 31.950 32.500 -0.003 0.000 0.714 467 K HN 0.559 nan 8.250 nan 0.000 0.448 468 A N 0.898 123.704 122.820 -0.023 0.000 1.929 468 A HA -0.054 4.266 4.320 0.000 0.000 0.216 468 A C 2.106 179.706 177.584 0.027 0.000 1.176 468 A CA 0.968 53.037 52.037 0.053 0.000 0.628 468 A CB -0.376 18.756 19.000 0.219 0.000 0.816 468 A HN 0.141 nan 8.150 nan 0.000 0.444 469 L N -0.600 120.619 121.223 -0.008 0.000 2.044 469 L HA -0.108 4.232 4.340 0.000 0.000 0.205 469 L C 2.615 179.488 176.870 0.005 0.000 1.075 469 L CA 1.499 56.339 54.840 0.000 0.000 0.747 469 L CB -0.235 41.817 42.059 -0.013 0.000 0.903 469 L HN 0.376 nan 8.230 nan 0.000 0.435 470 V N -1.420 118.496 119.914 0.003 0.000 3.041 470 V HA 0.021 4.141 4.120 0.000 0.000 0.260 470 V C 2.204 178.303 176.094 0.010 0.000 1.105 470 V CA 1.299 63.605 62.300 0.011 0.000 1.125 470 V CB -0.173 31.659 31.823 0.015 0.000 0.730 470 V HN 0.307 nan 8.190 nan 0.000 0.479 471 A N -0.582 122.243 122.820 0.009 0.000 2.216 471 A HA -0.009 4.311 4.320 0.000 0.000 0.214 471 A C 2.103 179.690 177.584 0.006 0.000 1.160 471 A CA 1.891 53.933 52.037 0.009 0.000 0.725 471 A CB -0.538 18.470 19.000 0.013 0.000 0.784 471 A HN 0.569 nan 8.150 nan 0.000 0.472 472 T N -1.075 113.482 114.554 0.005 0.000 3.041 472 T HA 0.329 4.679 4.350 0.000 0.000 0.276 472 T C 0.270 174.969 174.700 -0.001 0.000 0.948 472 T CA -0.385 61.715 62.100 -0.000 0.000 0.885 472 T CB -0.086 68.779 68.868 -0.004 0.000 1.175 472 T HN 0.250 nan 8.240 nan 0.000 0.529 473 I N 4.734 125.306 120.570 0.004 0.000 2.471 473 I HA 0.240 4.410 4.170 0.000 0.000 0.286 473 I C 0.051 176.171 176.117 0.005 0.000 1.079 473 I CA 0.003 61.305 61.300 0.004 0.000 1.398 473 I CB 0.206 38.211 38.000 0.009 0.000 1.403 473 I HN 0.536 nan 8.210 nan 0.000 0.530 474 N N 0.000 118.701 118.700 0.001 0.000 1.763 474 N HA 0.000 4.740 4.740 0.000 0.000 0.220 474 N CA 0.000 53.051 53.050 0.001 0.000 0.885 474 N CB 0.000 38.490 38.487 0.004 0.000 1.341 474 N HN 0.000 nan 8.380 nan 0.000 0.667