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 3ami_1_A DATA FIRST_RESID 29 DATA SEQUENCE PAASTFETTL PNGLKVVVRE DHRAPTLVHM VWYRVGSMDE TTGTTGVAHA DATA SEQUENCE LEHMMFKGTK DVGPGEFSKR VAAMGGRDNA FTTRDYTAYY QQVPSSRLSD DATA SEQUENCE VMGLEADRMA NLVVDDELFK KEIQVIAEER RWRTDDKPRS KAYEALMAAS DATA SEQUENCE YVAHPYRVPV IGWMNDIQNM TAQDVRDWYK RWYGPNNATV VVVGDVEHEA DATA SEQUENCE VFRLAEQTYG KLARVEAPAR KQQGEPQQAG VRRVTVKAPA ELPYLALAWH DATA SEQUENCE VPAIVDLDKS RDAYALEILA AVLDGYDGAR MTRQLVRGNK HAVSAGAGYD DATA SEQUENCE SLSRGQQGLF ILEGVPSKGV TIAQLETDLR AQVRDIAAKG VTEAELSRVK DATA SEQUENCE SQMVAGKVYE QDSLMGQATQ IGGLEVLGLS WRDDDRFYQQ LRSVTAAEVK DATA SEQUENCE AAAARLLTDD TLTVANLVPL PP 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 29 P HA 0.000 nan 4.420 nan 0.000 0.216 29 P C 0.000 177.271 177.300 -0.049 0.000 1.155 29 P CA 0.000 63.083 63.100 -0.029 0.000 0.800 29 P CB 0.000 31.703 31.700 0.006 0.000 0.726 30 A N 0.410 123.255 122.820 0.041 0.000 2.070 30 A HA 0.249 4.505 4.320 -0.106 0.000 0.220 30 A C 2.006 179.545 177.584 -0.075 0.000 1.159 30 A CA 2.266 54.377 52.037 0.123 0.000 0.656 30 A CB -1.167 17.997 19.000 0.273 0.000 0.800 30 A HN 0.399 nan 8.150 nan 0.000 0.453 31 A N -0.879 121.891 122.820 -0.084 0.000 2.172 31 A HA 0.108 4.365 4.320 -0.106 0.000 0.216 31 A C 1.785 179.241 177.584 -0.213 0.000 1.154 31 A CA 1.510 53.478 52.037 -0.116 0.000 0.701 31 A CB -0.282 18.699 19.000 -0.032 0.000 0.789 31 A HN 0.373 nan 8.150 nan 0.000 0.465 32 S N -0.576 114.962 115.700 -0.271 0.000 2.650 32 S HA 0.164 4.571 4.470 -0.106 0.000 0.240 32 S C 0.004 174.314 174.600 -0.484 0.000 1.007 32 S CA -0.185 57.880 58.200 -0.226 0.000 0.984 32 S CB 0.510 63.669 63.200 -0.067 0.000 0.910 32 S HN 0.454 nan 8.310 nan 0.000 0.509 33 T N 2.169 116.196 114.554 -0.880 0.000 2.823 33 T HA 0.705 4.992 4.350 -0.106 0.000 0.279 33 T C -0.918 173.115 174.700 -1.112 0.000 0.998 33 T CA -0.230 61.317 62.100 -0.921 0.000 0.994 33 T CB 0.845 68.933 68.868 -1.300 0.000 0.960 33 T HN 0.093 nan 8.240 nan 0.000 0.448 34 F N 1.347 121.126 119.950 -0.285 0.000 2.581 34 F HA 0.498 4.964 4.527 -0.101 0.000 0.311 34 F C 0.097 175.998 175.800 0.168 0.000 1.113 34 F CA -1.046 56.919 58.000 -0.058 0.000 0.935 34 F CB 2.012 40.866 39.000 -0.244 0.000 1.232 34 F HN 0.616 nan 8.300 nan 0.000 0.445 35 E N 0.018 120.466 120.200 0.413 0.000 2.369 35 E HA 0.795 5.082 4.350 -0.106 0.000 0.270 35 E C -1.581 175.022 176.600 0.005 0.000 0.909 35 E CA -0.973 55.583 56.400 0.260 0.000 0.775 35 E CB 2.797 32.623 29.700 0.210 0.000 1.270 35 E HN 0.494 nan 8.360 nan 0.000 0.445 36 T N 0.289 114.665 114.554 -0.296 0.000 2.923 36 T HA 0.347 4.633 4.350 -0.106 0.000 0.311 36 T C -1.593 172.961 174.700 -0.242 0.000 1.183 36 T CA -0.511 61.346 62.100 -0.404 0.000 1.020 36 T CB 1.971 70.313 68.868 -0.877 0.000 1.165 36 T HN 0.560 nan 8.240 nan 0.000 0.482 37 T N 4.737 119.201 114.554 -0.151 0.000 2.770 37 T HA 0.635 4.921 4.350 -0.106 0.000 0.283 37 T C -0.029 174.619 174.700 -0.085 0.000 0.988 37 T CA -0.663 61.378 62.100 -0.097 0.000 0.957 37 T CB -0.032 68.803 68.868 -0.055 0.000 0.930 37 T HN 0.524 nan 8.240 nan 0.000 0.443 38 L N 6.469 127.651 121.223 -0.068 0.000 2.464 38 L HA 0.283 4.560 4.340 -0.106 0.000 0.264 38 L C -1.045 175.813 176.870 -0.019 0.000 1.199 38 L CA -2.017 52.800 54.840 -0.038 0.000 0.818 38 L CB 0.315 42.370 42.059 -0.006 0.000 1.102 38 L HN 0.475 nan 8.230 nan 0.000 0.473 39 P HA -0.213 nan 4.420 nan 0.000 0.218 39 P C 0.728 178.030 177.300 0.003 0.000 1.152 39 P CA 1.711 64.810 63.100 -0.002 0.000 0.857 39 P CB -0.202 31.501 31.700 0.005 0.000 0.787 40 N N -2.076 116.630 118.700 0.010 0.000 2.515 40 N HA 0.032 4.709 4.740 -0.106 0.000 0.191 40 N C 1.139 176.653 175.510 0.008 0.000 1.182 40 N CA 0.651 53.710 53.050 0.015 0.000 0.879 40 N CB -0.369 38.137 38.487 0.031 0.000 0.984 40 N HN 0.136 nan 8.380 nan 0.000 0.453 41 G N 0.344 109.142 108.800 -0.004 0.000 2.195 41 G HA2 -0.242 3.654 3.960 -0.106 0.000 0.246 41 G HA3 -0.242 3.654 3.960 -0.106 0.000 0.246 41 G C -0.113 174.772 174.900 -0.025 0.000 0.984 41 G CA -0.097 44.997 45.100 -0.011 0.000 0.633 41 G HN 0.344 nan 8.290 nan 0.000 0.525 42 L N 1.304 122.509 121.223 -0.029 0.000 2.462 42 L HA 0.496 4.773 4.340 -0.106 0.000 0.272 42 L C 0.534 177.356 176.870 -0.079 0.000 1.166 42 L CA 0.549 55.350 54.840 -0.066 0.000 0.880 42 L CB 0.826 42.847 42.059 -0.062 0.000 1.142 42 L HN 0.328 nan 8.230 nan 0.000 0.473 43 K N 3.825 124.170 120.400 -0.093 0.000 2.185 43 K HA 0.515 4.771 4.320 -0.106 0.000 0.269 43 K C -1.233 175.315 176.600 -0.087 0.000 0.987 43 K CA -0.611 55.628 56.287 -0.079 0.000 0.865 43 K CB 1.402 33.868 32.500 -0.056 0.000 1.090 43 K HN 0.483 nan 8.250 nan 0.000 0.450 44 V N 4.640 124.519 119.914 -0.058 0.000 2.495 44 V HA 0.429 4.486 4.120 -0.106 0.000 0.298 44 V C -0.762 175.395 176.094 0.106 0.000 1.031 44 V CA -0.922 61.393 62.300 0.025 0.000 0.871 44 V CB 1.679 33.571 31.823 0.116 0.000 0.988 44 V HN 0.508 nan 8.190 nan 0.000 0.432 45 V N 5.163 125.132 119.914 0.093 0.000 2.531 45 V HA 0.593 4.649 4.120 -0.106 0.000 0.301 45 V C -0.514 175.605 176.094 0.041 0.000 1.034 45 V CA -0.579 61.751 62.300 0.051 0.000 0.865 45 V CB 2.131 33.896 31.823 -0.097 0.000 0.995 45 V HN 0.611 nan 8.190 nan 0.000 0.424 46 V N 4.721 124.671 119.914 0.060 0.000 2.531 46 V HA 0.603 4.659 4.120 -0.106 0.000 0.301 46 V C -0.279 175.782 176.094 -0.055 0.000 1.034 46 V CA -0.822 61.497 62.300 0.032 0.000 0.865 46 V CB 2.017 33.875 31.823 0.059 0.000 0.995 46 V HN 0.888 nan 8.190 nan 0.000 0.424 47 R N 3.031 123.466 120.500 -0.108 0.000 2.310 47 R HA 0.481 4.758 4.340 -0.106 0.000 0.324 47 R C -0.346 175.898 176.300 -0.092 0.000 0.955 47 R CA -0.288 55.719 56.100 -0.156 0.000 0.830 47 R CB 1.107 31.277 30.300 -0.217 0.000 1.154 47 R HN 0.787 nan 8.270 nan 0.000 0.458 48 E N 2.610 122.779 120.200 -0.052 0.000 2.259 48 E HA 0.094 4.381 4.350 -0.106 0.000 0.281 48 E C -0.939 175.499 176.600 -0.270 0.000 1.037 48 E CA -0.062 56.240 56.400 -0.164 0.000 0.854 48 E CB 1.051 30.728 29.700 -0.038 0.000 1.051 48 E HN 0.396 nan 8.360 nan 0.000 0.409 49 D N 2.315 122.479 120.400 -0.394 0.000 2.336 49 D HA 0.070 4.646 4.640 -0.106 0.000 0.248 49 D C -0.485 175.652 176.300 -0.272 0.000 1.326 49 D CA -0.457 53.387 54.000 -0.260 0.000 0.973 49 D CB 0.340 41.066 40.800 -0.124 0.000 1.255 49 D HN 0.540 nan 8.370 nan 0.000 0.558 50 H N 2.642 121.720 119.070 0.014 0.000 2.567 50 H HA 0.197 4.690 4.556 -0.105 0.000 0.294 50 H C 1.376 176.710 175.328 0.010 0.000 1.050 50 H CA -0.040 56.015 56.048 0.011 0.000 1.168 50 H CB 0.609 30.377 29.762 0.010 0.000 1.422 50 H HN 0.299 nan 8.280 nan 0.000 0.562 51 R N 0.582 121.125 120.500 0.071 0.000 2.115 51 R HA 0.115 4.392 4.340 -0.106 0.000 0.230 51 R C 0.495 176.823 176.300 0.047 0.000 1.111 51 R CA 0.805 56.937 56.100 0.052 0.000 0.976 51 R CB 0.454 30.771 30.300 0.028 0.000 0.870 51 R HN 0.144 nan 8.270 nan 0.000 0.445 52 A N 0.571 123.417 122.820 0.044 0.000 2.549 52 A HA 0.384 4.640 4.320 -0.106 0.000 0.297 52 A C -2.513 175.097 177.584 0.043 0.000 1.061 52 A CA -1.410 50.651 52.037 0.039 0.000 0.690 52 A CB 1.522 20.540 19.000 0.031 0.000 1.287 52 A HN -0.114 nan 8.150 nan 0.000 0.402 53 P HA 0.141 nan 4.420 nan 0.000 0.238 53 P C -0.007 177.314 177.300 0.035 0.000 1.714 53 P CA 0.587 63.711 63.100 0.040 0.000 0.908 53 P CB -0.660 31.059 31.700 0.032 0.000 1.893 54 T N -1.083 113.492 114.554 0.035 0.000 2.804 54 T HA 0.766 5.053 4.350 -0.106 0.000 0.290 54 T C -0.540 174.184 174.700 0.039 0.000 1.099 54 T CA -0.813 61.310 62.100 0.038 0.000 1.011 54 T CB 1.759 70.652 68.868 0.041 0.000 1.291 54 T HN 0.079 nan 8.240 nan 0.000 0.523 55 L N -2.059 119.197 121.223 0.054 0.000 2.600 55 L HA 0.945 5.221 4.340 -0.106 0.000 0.257 55 L C -1.558 175.373 176.870 0.101 0.000 1.048 55 L CA -1.243 53.635 54.840 0.064 0.000 0.869 55 L CB 1.297 43.396 42.059 0.067 0.000 1.482 55 L HN 0.563 nan 8.230 nan 0.000 0.408 56 V N 0.874 120.856 119.914 0.115 0.000 2.495 56 V HA 0.491 4.548 4.120 -0.106 0.000 0.298 56 V C -0.919 175.308 176.094 0.221 0.000 1.031 56 V CA -0.254 62.144 62.300 0.163 0.000 0.871 56 V CB 1.292 33.187 31.823 0.121 0.000 0.988 56 V HN 0.950 nan 8.190 nan 0.000 0.432 57 H N 6.541 125.715 119.070 0.174 0.000 2.539 57 H HA 0.627 5.120 4.556 -0.105 0.000 0.332 57 H C -1.366 174.115 175.328 0.255 0.000 1.031 57 H CA -0.705 55.460 56.048 0.194 0.000 1.206 57 H CB 1.420 31.296 29.762 0.190 0.000 1.446 57 H HN 0.572 nan 8.280 nan 0.000 0.496 58 M N 5.203 124.699 119.600 -0.174 0.000 2.464 58 M HA 0.239 4.656 4.480 -0.106 0.000 0.308 58 M C -1.040 175.184 176.300 -0.127 0.000 1.127 58 M CA -1.188 54.093 55.300 -0.031 0.000 0.913 58 M CB 2.994 35.704 32.600 0.184 0.000 1.689 58 M HN 0.320 nan 8.290 nan 0.000 0.445 59 V N 3.042 122.925 119.914 -0.053 0.000 2.407 59 V HA 0.537 4.593 4.120 -0.106 0.000 0.291 59 V C -2.118 173.941 176.094 -0.059 0.000 1.018 59 V CA -0.181 62.085 62.300 -0.056 0.000 0.842 59 V CB 1.015 32.808 31.823 -0.050 0.000 0.996 59 V HN 0.865 nan 8.190 nan 0.000 0.426 60 W N 6.589 127.766 121.300 -0.206 0.000 2.291 60 W HA 0.573 5.172 4.660 -0.101 0.000 0.312 60 W C -0.619 175.775 176.519 -0.209 0.000 1.061 60 W CA -0.550 56.710 57.345 -0.141 0.000 1.296 60 W CB 0.709 30.056 29.460 -0.188 0.000 1.223 60 W HN 0.520 nan 8.180 nan 0.000 0.421 61 Y N 1.994 122.370 120.300 0.127 0.000 2.313 61 Y HA 0.267 4.754 4.550 -0.105 0.000 0.332 61 Y C 1.133 177.094 175.900 0.102 0.000 1.071 61 Y CA -0.952 57.152 58.100 0.007 0.000 1.169 61 Y CB 1.035 39.330 38.460 -0.276 0.000 1.192 61 Y HN 0.253 nan 8.280 nan 0.000 0.487 62 R N 3.054 123.681 120.500 0.213 0.000 3.710 62 R HA 0.444 4.721 4.340 -0.106 0.000 0.201 62 R C -1.626 174.706 176.300 0.054 0.000 1.641 62 R CA -0.053 56.143 56.100 0.159 0.000 1.390 62 R CB -0.352 30.016 30.300 0.114 0.000 1.341 62 R HN 0.535 nan 8.270 nan 0.000 0.728 63 V N 1.434 121.380 119.914 0.052 0.000 2.882 63 V HA 0.748 4.805 4.120 -0.106 0.000 0.295 63 V C -0.864 175.256 176.094 0.042 0.000 1.273 63 V CA -0.133 62.075 62.300 -0.154 0.000 0.949 63 V CB 1.926 33.554 31.823 -0.325 0.000 1.071 63 V HN 0.640 nan 8.190 nan 0.000 0.432 64 G N 2.580 111.387 108.800 0.012 0.000 2.870 64 G HA2 0.492 4.389 3.960 -0.106 0.000 0.299 64 G HA3 0.492 4.389 3.960 -0.106 0.000 0.299 64 G C 0.822 175.760 174.900 0.063 0.000 1.324 64 G CA 0.333 45.454 45.100 0.035 0.000 0.808 64 G HN 1.504 nan 8.290 nan 0.000 0.535 65 S N -0.533 115.142 115.700 -0.041 0.000 2.440 65 S HA -0.236 4.171 4.470 -0.106 0.000 0.238 65 S C 2.348 176.946 174.600 -0.004 0.000 1.010 65 S CA 2.075 60.232 58.200 -0.071 0.000 0.972 65 S CB -0.620 62.482 63.200 -0.163 0.000 0.774 65 S HN 0.782 nan 8.310 nan 0.000 0.501 66 M N 0.894 120.517 119.600 0.037 0.000 2.549 66 M HA 0.096 4.513 4.480 -0.106 0.000 0.260 66 M C 0.453 176.771 176.300 0.030 0.000 1.076 66 M CA 1.515 56.855 55.300 0.068 0.000 1.090 66 M CB -0.315 32.393 32.600 0.180 0.000 1.418 66 M HN 0.001 nan 8.290 nan 0.000 0.486 67 D N 1.381 121.815 120.400 0.057 0.000 2.339 67 D HA 0.096 4.672 4.640 -0.106 0.000 0.217 67 D C -0.109 176.415 176.300 0.373 0.000 1.050 67 D CA 0.236 54.272 54.000 0.059 0.000 0.856 67 D CB 0.216 40.784 40.800 -0.385 0.000 0.922 67 D HN 0.639 nan 8.370 nan 0.000 0.518 68 E N 0.680 121.070 120.200 0.315 0.000 2.345 68 E HA 0.230 4.517 4.350 -0.106 0.000 0.259 68 E C -0.110 176.609 176.600 0.198 0.000 1.117 68 E CA -0.017 56.541 56.400 0.263 0.000 0.913 68 E CB 1.162 30.842 29.700 -0.034 0.000 1.057 68 E HN -0.191 nan 8.360 nan 0.000 0.432 69 T N 1.271 115.937 114.554 0.187 0.000 2.907 69 T HA 0.183 4.470 4.350 -0.106 0.000 0.284 69 T C -0.450 174.321 174.700 0.120 0.000 1.004 69 T CA -0.707 61.487 62.100 0.156 0.000 1.063 69 T CB 1.086 70.058 68.868 0.173 0.000 0.992 69 T HN 0.359 nan 8.240 nan 0.000 0.483 70 T N 2.434 117.058 114.554 0.116 0.000 2.867 70 T HA 0.392 4.679 4.350 -0.106 0.000 0.297 70 T C 1.513 176.275 174.700 0.103 0.000 0.989 70 T CA 0.589 62.762 62.100 0.121 0.000 1.159 70 T CB 0.220 69.144 68.868 0.094 0.000 0.928 70 T HN 0.994 nan 8.240 nan 0.000 0.538 71 G N 2.976 111.847 108.800 0.119 0.000 2.254 71 G HA2 -0.257 3.640 3.960 -0.106 0.000 0.225 71 G HA3 -0.257 3.640 3.960 -0.106 0.000 0.225 71 G C 0.528 175.480 174.900 0.086 0.000 1.003 71 G CA 0.051 45.206 45.100 0.091 0.000 0.622 71 G HN 0.788 nan 8.290 nan 0.000 0.507 72 T N 1.970 116.571 114.554 0.078 0.000 3.533 72 T HA 0.471 4.758 4.350 -0.106 0.000 0.275 72 T C 0.545 175.227 174.700 -0.030 0.000 1.000 72 T CA 0.544 62.665 62.100 0.034 0.000 1.015 72 T CB 0.536 69.430 68.868 0.043 0.000 1.153 72 T HN 0.995 nan 8.240 nan 0.000 0.504 73 T N -0.942 113.612 114.554 -0.001 0.000 2.868 73 T HA 0.518 4.805 4.350 -0.106 0.000 0.292 73 T C 1.522 176.128 174.700 -0.156 0.000 1.028 73 T CA 0.479 62.521 62.100 -0.096 0.000 1.059 73 T CB 1.156 69.967 68.868 -0.095 0.000 0.991 73 T HN 0.541 nan 8.240 nan 0.000 0.531 74 G N 0.210 108.869 108.800 -0.235 0.000 2.176 74 G HA2 -0.307 3.590 3.960 -0.106 0.000 0.253 74 G HA3 -0.307 3.590 3.960 -0.106 0.000 0.253 74 G C 0.799 175.563 174.900 -0.227 0.000 0.979 74 G CA 0.404 45.381 45.100 -0.206 0.000 0.641 74 G HN 1.212 nan 8.290 nan 0.000 0.530 75 V N 0.683 120.356 119.914 -0.401 0.000 2.453 75 V HA 0.218 4.275 4.120 -0.106 0.000 0.247 75 V C 2.978 178.645 176.094 -0.712 0.000 1.048 75 V CA 2.773 64.749 62.300 -0.540 0.000 1.049 75 V CB -0.517 30.884 31.823 -0.703 0.000 0.672 75 V HN 1.229 nan 8.190 nan 0.000 0.457 76 A N -0.527 121.786 122.820 -0.845 0.000 1.883 76 A HA -0.326 3.930 4.320 -0.106 0.000 0.217 76 A C 2.305 179.850 177.584 -0.064 0.000 1.186 76 A CA 2.152 53.994 52.037 -0.326 0.000 0.624 76 A CB -1.113 17.865 19.000 -0.036 0.000 0.822 76 A HN 0.822 nan 8.150 nan 0.000 0.444 77 H N -0.389 118.566 119.070 -0.191 0.000 2.462 77 H HA 0.116 4.608 4.556 -0.106 0.000 0.292 77 H C 2.106 177.385 175.328 -0.083 0.000 1.049 77 H CA 1.286 57.258 56.048 -0.127 0.000 1.334 77 H CB -0.036 29.605 29.762 -0.202 0.000 1.404 77 H HN 0.415 nan 8.280 nan 0.000 0.544 78 A N 1.632 124.350 122.820 -0.170 0.000 1.930 78 A HA -0.018 4.238 4.320 -0.106 0.000 0.215 78 A C 2.656 180.229 177.584 -0.019 0.000 1.176 78 A CA 0.495 52.436 52.037 -0.159 0.000 0.632 78 A CB -0.710 18.273 19.000 -0.028 0.000 0.819 78 A HN 0.455 nan 8.150 nan 0.000 0.445 79 L N -0.293 120.924 121.223 -0.010 0.000 2.046 79 L HA -0.204 4.073 4.340 -0.106 0.000 0.208 79 L C 2.583 179.532 176.870 0.133 0.000 1.077 79 L CA 2.264 57.130 54.840 0.043 0.000 0.747 79 L CB -0.462 41.624 42.059 0.044 0.000 0.896 79 L HN 0.621 nan 8.230 nan 0.000 0.432 80 E N -0.559 119.757 120.200 0.194 0.000 2.086 80 E HA -0.309 3.978 4.350 -0.106 0.000 0.200 80 E C 1.950 178.782 176.600 0.388 0.000 1.012 80 E CA 1.798 58.397 56.400 0.332 0.000 0.812 80 E CB -0.206 29.584 29.700 0.150 0.000 0.743 80 E HN 0.659 nan 8.360 nan 0.000 0.453 81 H N -1.086 118.026 119.070 0.070 0.000 2.326 81 H HA -0.075 4.417 4.556 -0.106 0.000 0.301 81 H C 2.087 177.530 175.328 0.191 0.000 1.081 81 H CA 1.189 57.312 56.048 0.124 0.000 1.334 81 H CB 0.087 29.821 29.762 -0.047 0.000 1.385 81 H HN 0.240 nan 8.280 nan 0.000 0.504 82 M N 0.127 119.858 119.600 0.218 0.000 2.549 82 M HA -0.081 4.336 4.480 -0.106 0.000 0.260 82 M C 1.818 178.108 176.300 -0.015 0.000 1.076 82 M CA 0.648 56.012 55.300 0.106 0.000 1.090 82 M CB -0.546 32.099 32.600 0.074 0.000 1.418 82 M HN 0.273 nan 8.290 nan 0.000 0.486 83 M N -1.222 118.343 119.600 -0.059 0.000 2.549 83 M HA -0.073 4.344 4.480 -0.106 0.000 0.260 83 M C 0.836 176.790 176.300 -0.576 0.000 1.076 83 M CA 1.116 56.201 55.300 -0.359 0.000 1.090 83 M CB -0.803 31.509 32.600 -0.479 0.000 1.418 83 M HN 0.145 nan 8.290 nan 0.000 0.486 84 F N -0.553 119.344 119.950 -0.088 0.000 2.653 84 F HA 0.150 4.613 4.527 -0.106 0.000 0.304 84 F C 1.485 177.273 175.800 -0.019 0.000 1.092 84 F CA 0.021 57.980 58.000 -0.068 0.000 1.279 84 F CB 0.172 39.138 39.000 -0.057 0.000 1.044 84 F HN -0.081 nan 8.300 nan 0.000 0.564 85 K N 0.633 121.086 120.400 0.089 0.000 2.372 85 K HA 0.460 4.717 4.320 -0.106 0.000 0.200 85 K C 0.546 177.158 176.600 0.018 0.000 1.022 85 K CA 0.400 56.727 56.287 0.065 0.000 1.125 85 K CB 0.517 33.059 32.500 0.068 0.000 0.855 85 K HN 0.221 nan 8.250 nan 0.000 0.524 86 G N 1.418 110.210 108.800 -0.014 0.000 2.764 86 G HA2 -0.145 3.752 3.960 -0.106 0.000 0.678 86 G HA3 -0.145 3.752 3.960 -0.106 0.000 0.678 86 G C -0.207 174.661 174.900 -0.053 0.000 1.341 86 G CA -0.512 44.581 45.100 -0.013 0.000 0.836 86 G HN 0.077 nan 8.290 nan 0.000 0.632 87 T N -0.616 113.922 114.554 -0.028 0.000 2.888 87 T HA 0.601 4.888 4.350 -0.106 0.000 0.283 87 T C 1.553 176.245 174.700 -0.014 0.000 1.013 87 T CA 0.160 62.241 62.100 -0.032 0.000 0.938 87 T CB 1.571 70.438 68.868 -0.001 0.000 1.298 87 T HN 0.582 nan 8.240 nan 0.000 0.580 88 K N 0.061 120.456 120.400 -0.008 0.000 2.057 88 K HA -0.092 4.165 4.320 -0.106 0.000 0.207 88 K C 1.569 178.173 176.600 0.005 0.000 1.049 88 K CA 1.696 57.981 56.287 -0.002 0.000 0.931 88 K CB -0.103 32.398 32.500 0.002 0.000 0.714 88 K HN 0.529 nan 8.250 nan 0.000 0.440 89 D N -0.591 119.815 120.400 0.010 0.000 2.301 89 D HA 0.005 4.581 4.640 -0.106 0.000 0.206 89 D C -0.174 176.137 176.300 0.017 0.000 0.979 89 D CA 0.560 54.567 54.000 0.012 0.000 0.874 89 D CB 0.719 41.525 40.800 0.011 0.000 0.968 89 D HN -0.129 nan 8.370 nan 0.000 0.510 90 V N 1.517 121.448 119.914 0.028 0.000 2.289 90 V HA 0.474 4.530 4.120 -0.106 0.000 0.272 90 V C 0.884 177.007 176.094 0.050 0.000 1.026 90 V CA -0.837 61.489 62.300 0.044 0.000 0.807 90 V CB 1.105 32.970 31.823 0.070 0.000 1.044 90 V HN -0.007 nan 8.190 nan 0.000 0.443 91 G N 5.166 113.990 108.800 0.039 0.000 2.583 91 G HA2 0.359 4.256 3.960 -0.106 0.000 0.275 91 G HA3 0.359 4.256 3.960 -0.106 0.000 0.275 91 G C -2.589 172.344 174.900 0.055 0.000 1.342 91 G CA -1.264 43.858 45.100 0.036 0.000 1.030 91 G HN 0.508 nan 8.290 nan 0.000 0.520 92 P HA 0.154 nan 4.420 nan 0.000 0.258 92 P C 0.879 178.227 177.300 0.080 0.000 1.187 92 P CA 1.581 64.719 63.100 0.063 0.000 0.767 92 P CB 0.560 32.287 31.700 0.045 0.000 0.770 93 G N 3.478 112.350 108.800 0.121 0.000 2.253 93 G HA2 -0.276 3.621 3.960 -0.106 0.000 0.251 93 G HA3 -0.276 3.621 3.960 -0.106 0.000 0.251 93 G C 1.186 176.170 174.900 0.141 0.000 0.998 93 G CA -0.125 45.051 45.100 0.127 0.000 0.621 93 G HN 0.450 nan 8.290 nan 0.000 0.524 94 E N -0.277 120.001 120.200 0.129 0.000 2.150 94 E HA 0.044 4.330 4.350 -0.106 0.000 0.193 94 E C 1.933 178.612 176.600 0.131 0.000 0.985 94 E CA 0.935 57.396 56.400 0.101 0.000 0.814 94 E CB -0.229 29.511 29.700 0.068 0.000 0.752 94 E HN 0.620 nan 8.360 nan 0.000 0.466 95 F N 1.994 121.981 119.950 0.061 0.000 2.046 95 F HA -0.237 4.226 4.527 -0.106 0.000 0.297 95 F C 2.460 178.322 175.800 0.104 0.000 1.123 95 F CA 1.736 59.776 58.000 0.068 0.000 1.199 95 F CB -0.291 38.740 39.000 0.052 0.000 0.972 95 F HN -0.115 nan 8.300 nan 0.000 0.474 96 S N -0.124 115.856 115.700 0.467 0.000 2.382 96 S HA -0.188 4.219 4.470 -0.106 0.000 0.228 96 S C 1.849 176.513 174.600 0.106 0.000 1.027 96 S CA 1.366 59.749 58.200 0.304 0.000 0.991 96 S CB -0.270 63.089 63.200 0.264 0.000 0.823 96 S HN 0.240 nan 8.310 nan 0.000 0.469 97 K N 1.305 121.753 120.400 0.081 0.000 2.032 97 K HA 0.023 4.280 4.320 -0.106 0.000 0.209 97 K C 2.258 178.851 176.600 -0.011 0.000 1.048 97 K CA 1.187 57.492 56.287 0.029 0.000 0.927 97 K CB -0.110 32.408 32.500 0.029 0.000 0.712 97 K HN 0.203 nan 8.250 nan 0.000 0.441 98 R N -0.138 120.335 120.500 -0.045 0.000 2.148 98 R HA -0.048 4.229 4.340 -0.106 0.000 0.227 98 R C 2.114 178.346 176.300 -0.113 0.000 1.103 98 R CA 0.977 57.025 56.100 -0.087 0.000 0.983 98 R CB -0.231 29.996 30.300 -0.121 0.000 0.874 98 R HN 0.028 nan 8.270 nan 0.000 0.451 99 V N 0.897 120.728 119.914 -0.138 0.000 2.379 99 V HA -0.162 3.895 4.120 -0.106 0.000 0.245 99 V C 2.451 178.521 176.094 -0.040 0.000 1.044 99 V CA 1.814 64.046 62.300 -0.113 0.000 1.036 99 V CB -0.540 31.217 31.823 -0.110 0.000 0.664 99 V HN 0.350 nan 8.190 nan 0.000 0.453 100 A N 0.224 123.034 122.820 -0.016 0.000 1.908 100 A HA -0.169 4.087 4.320 -0.106 0.000 0.218 100 A C 2.365 179.943 177.584 -0.010 0.000 1.181 100 A CA 2.153 54.188 52.037 -0.002 0.000 0.627 100 A CB -0.754 18.249 19.000 0.006 0.000 0.818 100 A HN 0.585 nan 8.150 nan 0.000 0.445 101 A N -0.843 121.965 122.820 -0.020 0.000 2.067 101 A HA 0.007 4.263 4.320 -0.106 0.000 0.219 101 A C 2.051 179.621 177.584 -0.023 0.000 1.158 101 A CA 1.460 53.485 52.037 -0.020 0.000 0.661 101 A CB -0.532 18.454 19.000 -0.024 0.000 0.801 101 A HN 0.547 nan 8.150 nan 0.000 0.452 102 M N -1.267 118.314 119.600 -0.031 0.000 2.659 102 M HA 0.134 4.551 4.480 -0.106 0.000 0.243 102 M C 1.340 177.632 176.300 -0.013 0.000 1.111 102 M CA 0.859 56.142 55.300 -0.028 0.000 1.070 102 M CB 0.109 32.684 32.600 -0.041 0.000 1.525 102 M HN 0.607 nan 8.290 nan 0.000 0.517 103 G N 0.420 109.216 108.800 -0.007 0.000 2.132 103 G HA2 -0.164 3.733 3.960 -0.106 0.000 0.234 103 G HA3 -0.164 3.733 3.960 -0.106 0.000 0.234 103 G C 0.145 175.052 174.900 0.012 0.000 0.989 103 G CA -0.185 44.917 45.100 0.003 0.000 0.676 103 G HN 0.624 nan 8.290 nan 0.000 0.522 104 G N -1.120 107.687 108.800 0.011 0.000 2.887 104 G HA2 0.804 4.701 3.960 -0.106 0.000 0.277 104 G HA3 0.804 4.701 3.960 -0.106 0.000 0.277 104 G C -0.297 174.624 174.900 0.036 0.000 1.346 104 G CA -0.966 44.151 45.100 0.028 0.000 1.058 104 G HN 0.455 nan 8.290 nan 0.000 0.535 105 R N -0.306 120.229 120.500 0.058 0.000 2.795 105 R HA 0.488 4.764 4.340 -0.106 0.000 0.275 105 R C -1.477 174.872 176.300 0.082 0.000 0.981 105 R CA -0.805 55.332 56.100 0.062 0.000 0.917 105 R CB 2.520 32.858 30.300 0.064 0.000 1.202 105 R HN 0.775 nan 8.270 nan 0.000 0.469 106 D N 0.859 121.297 120.400 0.062 0.000 2.596 106 D HA 0.414 4.990 4.640 -0.106 0.000 0.234 106 D C -1.040 175.191 176.300 -0.116 0.000 1.181 106 D CA -0.481 53.553 54.000 0.057 0.000 0.856 106 D CB 2.271 43.251 40.800 0.299 0.000 1.498 106 D HN 0.323 nan 8.370 nan 0.000 0.446 107 N N -0.992 117.484 118.700 -0.374 0.000 3.308 107 N HA 0.713 5.390 4.740 -0.106 0.000 0.276 107 N C -1.992 173.280 175.510 -0.397 0.000 1.533 107 N CA -0.102 52.684 53.050 -0.440 0.000 0.878 107 N CB 1.767 39.961 38.487 -0.489 0.000 1.566 107 N HN 0.815 nan 8.380 nan 0.000 0.546 108 A N 0.160 122.905 122.820 -0.126 0.000 2.612 108 A HA 0.779 5.036 4.320 -0.106 0.000 0.293 108 A C -2.068 175.629 177.584 0.189 0.000 1.075 108 A CA -0.504 51.546 52.037 0.021 0.000 0.680 108 A CB 1.076 20.140 19.000 0.106 0.000 1.279 108 A HN 0.462 nan 8.150 nan 0.000 0.411 109 F N 0.340 120.236 119.950 -0.090 0.000 2.628 109 F HA 0.612 5.075 4.527 -0.106 0.000 0.309 109 F C -0.427 175.338 175.800 -0.059 0.000 1.108 109 F CA -0.045 57.944 58.000 -0.018 0.000 0.971 109 F CB 2.352 41.386 39.000 0.056 0.000 1.279 109 F HN 0.597 nan 8.300 nan 0.000 0.441 110 T N 2.910 117.086 114.554 -0.630 0.000 2.829 110 T HA 0.654 4.941 4.350 -0.106 0.000 0.280 110 T C -0.261 173.990 174.700 -0.749 0.000 0.999 110 T CA -0.601 61.212 62.100 -0.479 0.000 0.983 110 T CB 1.707 70.450 68.868 -0.209 0.000 0.968 110 T HN 0.710 nan 8.240 nan 0.000 0.446 111 T N -0.136 114.047 114.554 -0.619 0.000 2.693 111 T HA 0.505 4.791 4.350 -0.106 0.000 0.278 111 T C 1.134 175.589 174.700 -0.409 0.000 0.994 111 T CA -1.034 60.718 62.100 -0.580 0.000 1.033 111 T CB 1.464 69.890 68.868 -0.736 0.000 1.342 111 T HN 0.339 nan 8.240 nan 0.000 0.538 112 R N 0.205 120.490 120.500 -0.359 0.000 2.105 112 R HA -0.024 4.252 4.340 -0.106 0.000 0.239 112 R C 1.169 177.404 176.300 -0.108 0.000 1.135 112 R CA 1.965 57.916 56.100 -0.248 0.000 0.967 112 R CB -0.234 29.792 30.300 -0.457 0.000 0.861 112 R HN 0.591 nan 8.270 nan 0.000 0.442 113 D N -1.903 118.407 120.400 -0.151 0.000 2.388 113 D HA 0.062 4.638 4.640 -0.106 0.000 0.208 113 D C -0.232 176.150 176.300 0.137 0.000 1.035 113 D CA 0.601 54.633 54.000 0.053 0.000 0.875 113 D CB 0.558 41.466 40.800 0.181 0.000 0.984 113 D HN 0.243 nan 8.370 nan 0.000 0.508 114 Y N -2.718 117.634 120.300 0.086 0.000 2.689 114 Y HA 0.616 5.102 4.550 -0.106 0.000 0.333 114 Y C -1.348 174.596 175.900 0.073 0.000 1.208 114 Y CA -1.223 56.952 58.100 0.125 0.000 1.055 114 Y CB 0.915 39.528 38.460 0.254 0.000 1.304 114 Y HN -0.371 nan 8.280 nan 0.000 0.455 115 T N 1.779 116.566 114.554 0.388 0.000 2.881 115 T HA 0.822 5.108 4.350 -0.106 0.000 0.291 115 T C -0.925 173.869 174.700 0.156 0.000 0.990 115 T CA -0.407 61.817 62.100 0.207 0.000 0.976 115 T CB 1.231 70.240 68.868 0.236 0.000 0.970 115 T HN 1.000 nan 8.240 nan 0.000 0.438 116 A N 3.040 125.785 122.820 -0.125 0.000 2.365 116 A HA 0.867 5.124 4.320 -0.106 0.000 0.318 116 A C -1.726 175.630 177.584 -0.381 0.000 1.091 116 A CA -0.791 51.024 52.037 -0.370 0.000 0.763 116 A CB 1.083 19.461 19.000 -1.036 0.000 1.248 116 A HN 0.808 nan 8.150 nan 0.000 0.442 117 Y N 0.689 121.017 120.300 0.047 0.000 2.391 117 Y HA 0.593 5.080 4.550 -0.105 0.000 0.341 117 Y C -0.555 175.466 175.900 0.201 0.000 0.965 117 Y CA -0.432 57.752 58.100 0.140 0.000 1.067 117 Y CB 1.987 40.511 38.460 0.107 0.000 1.199 117 Y HN 0.740 nan 8.280 nan 0.000 0.450 118 Y N -0.454 119.981 120.300 0.226 0.000 2.513 118 Y HA 0.825 5.313 4.550 -0.103 0.000 0.340 118 Y C -1.681 174.383 175.900 0.274 0.000 1.055 118 Y CA -1.471 56.744 58.100 0.192 0.000 1.020 118 Y CB 1.462 39.964 38.460 0.069 0.000 1.301 118 Y HN 0.499 nan 8.280 nan 0.000 0.453 119 Q N 1.901 121.941 119.800 0.400 0.000 2.413 119 Q HA 0.501 4.778 4.340 -0.106 0.000 0.276 119 Q C -1.482 174.689 176.000 0.285 0.000 1.099 119 Q CA -0.957 55.025 55.803 0.299 0.000 0.814 119 Q CB 2.767 31.675 28.738 0.284 0.000 1.379 119 Q HN 0.738 nan 8.270 nan 0.000 0.436 120 Q N 0.715 120.639 119.800 0.206 0.000 2.337 120 Q HA 0.834 5.111 4.340 -0.106 0.000 0.266 120 Q C -1.608 174.456 176.000 0.107 0.000 1.023 120 Q CA -0.711 55.189 55.803 0.161 0.000 0.829 120 Q CB 1.592 30.419 28.738 0.147 0.000 1.306 120 Q HN 0.517 nan 8.270 nan 0.000 0.449 121 V N 5.031 124.997 119.914 0.087 0.000 3.023 121 V HA 0.386 4.442 4.120 -0.106 0.000 0.294 121 V C -2.541 173.578 176.094 0.042 0.000 1.324 121 V CA -1.734 60.598 62.300 0.054 0.000 0.979 121 V CB 2.610 34.460 31.823 0.044 0.000 1.093 121 V HN 0.816 nan 8.190 nan 0.000 0.434 122 P HA 0.068 nan 4.420 nan 0.000 0.264 122 P C 0.862 178.173 177.300 0.020 0.000 1.183 122 P CA 0.375 63.488 63.100 0.022 0.000 0.763 122 P CB 0.565 32.272 31.700 0.012 0.000 0.807 123 S N 1.410 117.125 115.700 0.024 0.000 2.419 123 S HA -0.197 4.209 4.470 -0.106 0.000 0.235 123 S C 1.718 176.326 174.600 0.013 0.000 1.019 123 S CA 1.552 59.767 58.200 0.025 0.000 0.982 123 S CB -1.252 61.968 63.200 0.033 0.000 0.789 123 S HN 0.561 nan 8.310 nan 0.000 0.490 124 S N 1.256 116.960 115.700 0.006 0.000 2.522 124 S HA 0.136 4.543 4.470 -0.106 0.000 0.227 124 S C 1.432 176.023 174.600 -0.015 0.000 0.986 124 S CA -0.197 58.001 58.200 -0.004 0.000 0.929 124 S CB -0.238 62.959 63.200 -0.005 0.000 0.769 124 S HN 0.331 nan 8.310 nan 0.000 0.529 125 R N 0.710 121.199 120.500 -0.017 0.000 2.391 125 R HA 0.358 4.635 4.340 -0.106 0.000 0.249 125 R C 1.347 177.615 176.300 -0.052 0.000 0.957 125 R CA -0.178 55.901 56.100 -0.035 0.000 1.093 125 R CB -0.974 29.305 30.300 -0.034 0.000 1.156 125 R HN 0.387 nan 8.270 nan 0.000 0.526 126 L N 0.701 121.900 121.223 -0.041 0.000 2.083 126 L HA -0.144 4.132 4.340 -0.106 0.000 0.209 126 L C 2.259 179.070 176.870 -0.099 0.000 1.083 126 L CA 1.909 56.711 54.840 -0.062 0.000 0.752 126 L CB -0.700 41.351 42.059 -0.013 0.000 0.899 126 L HN 0.164 nan 8.230 nan 0.000 0.433 127 S N -0.672 114.989 115.700 -0.066 0.000 2.356 127 S HA -0.235 4.172 4.470 -0.106 0.000 0.223 127 S C 1.651 176.194 174.600 -0.094 0.000 1.032 127 S CA 1.736 59.896 58.200 -0.067 0.000 1.005 127 S CB -0.582 62.591 63.200 -0.045 0.000 0.867 127 S HN 0.634 nan 8.310 nan 0.000 0.449 128 D N 1.059 121.403 120.400 -0.093 0.000 2.106 128 D HA -0.134 4.442 4.640 -0.106 0.000 0.191 128 D C 2.141 178.355 176.300 -0.143 0.000 0.997 128 D CA 1.930 55.865 54.000 -0.107 0.000 0.834 128 D CB -0.486 40.252 40.800 -0.103 0.000 0.956 128 D HN 0.523 nan 8.370 nan 0.000 0.448 129 V N -1.812 117.999 119.914 -0.173 0.000 2.591 129 V HA -0.084 3.973 4.120 -0.106 0.000 0.249 129 V C 2.020 177.994 176.094 -0.200 0.000 1.053 129 V CA 0.975 63.159 62.300 -0.194 0.000 1.068 129 V CB -0.566 31.154 31.823 -0.171 0.000 0.689 129 V HN 0.138 nan 8.190 nan 0.000 0.462 130 M N 1.245 120.673 119.600 -0.286 0.000 2.159 130 M HA 0.017 4.433 4.480 -0.106 0.000 0.263 130 M C 2.296 178.429 176.300 -0.279 0.000 1.063 130 M CA 2.018 57.185 55.300 -0.222 0.000 1.110 130 M CB -0.824 31.705 32.600 -0.118 0.000 1.374 130 M HN 0.574 nan 8.290 nan 0.000 0.411 131 G N 0.464 109.154 108.800 -0.183 0.000 2.404 131 G HA2 -0.181 3.716 3.960 -0.106 0.000 0.215 131 G HA3 -0.181 3.716 3.960 -0.106 0.000 0.215 131 G C 1.322 176.175 174.900 -0.078 0.000 1.174 131 G CA 0.428 45.442 45.100 -0.143 0.000 0.780 131 G HN 0.197 nan 8.290 nan 0.000 0.537 132 L N 0.825 122.028 121.223 -0.033 0.000 2.012 132 L HA -0.048 4.229 4.340 -0.106 0.000 0.210 132 L C 2.804 179.826 176.870 0.253 0.000 1.073 132 L CA 1.502 56.396 54.840 0.090 0.000 0.748 132 L CB -0.745 41.285 42.059 -0.048 0.000 0.891 132 L HN 0.208 nan 8.230 nan 0.000 0.431 133 E N -0.921 119.439 120.200 0.266 0.000 2.072 133 E HA -0.077 4.210 4.350 -0.106 0.000 0.190 133 E C 2.243 178.969 176.600 0.210 0.000 0.982 133 E CA 1.142 57.733 56.400 0.319 0.000 0.803 133 E CB -0.197 29.815 29.700 0.519 0.000 0.755 133 E HN 0.438 nan 8.360 nan 0.000 0.453 134 A N 1.778 124.574 122.820 -0.041 0.000 1.908 134 A HA -0.243 4.013 4.320 -0.106 0.000 0.218 134 A C 2.015 179.621 177.584 0.037 0.000 1.181 134 A CA 2.054 54.022 52.037 -0.115 0.000 0.627 134 A CB -0.591 18.127 19.000 -0.471 0.000 0.818 134 A HN 0.218 nan 8.150 nan 0.000 0.445 135 D N -0.668 119.749 120.400 0.029 0.000 2.104 135 D HA -0.197 4.380 4.640 -0.106 0.000 0.194 135 D C 2.105 178.466 176.300 0.102 0.000 0.994 135 D CA 1.590 55.626 54.000 0.060 0.000 0.830 135 D CB -0.242 40.588 40.800 0.050 0.000 0.959 135 D HN 0.402 nan 8.370 nan 0.000 0.452 136 R N -0.795 119.772 120.500 0.112 0.000 2.152 136 R HA -0.010 4.267 4.340 -0.106 0.000 0.232 136 R C 2.359 178.786 176.300 0.212 0.000 1.117 136 R CA 0.893 57.039 56.100 0.077 0.000 0.981 136 R CB -0.227 30.044 30.300 -0.049 0.000 0.870 136 R HN 0.303 nan 8.270 nan 0.000 0.451 137 M N -1.231 118.530 119.600 0.267 0.000 2.319 137 M HA -0.041 4.376 4.480 -0.106 0.000 0.265 137 M C 1.404 177.880 176.300 0.292 0.000 1.068 137 M CA 1.793 57.307 55.300 0.356 0.000 1.118 137 M CB 0.286 33.110 32.600 0.373 0.000 1.395 137 M HN 0.251 nan 8.290 nan 0.000 0.435 138 A N -0.541 122.439 122.820 0.266 0.000 2.066 138 A HA 0.188 4.445 4.320 -0.106 0.000 0.198 138 A C 0.927 178.666 177.584 0.258 0.000 1.405 138 A CA 0.106 52.273 52.037 0.217 0.000 0.973 138 A CB -0.048 19.031 19.000 0.131 0.000 1.026 138 A HN 0.613 nan 8.150 nan 0.000 0.474 139 N N -0.370 118.450 118.700 0.201 0.000 2.235 139 N HA 0.305 4.982 4.740 -0.106 0.000 0.231 139 N C -0.372 175.142 175.510 0.007 0.000 1.177 139 N CA -0.315 52.797 53.050 0.102 0.000 0.874 139 N CB 0.863 39.385 38.487 0.059 0.000 1.097 139 N HN 0.336 nan 8.380 nan 0.000 0.518 140 L N 1.723 122.898 121.223 -0.080 0.000 2.490 140 L HA 0.157 4.433 4.340 -0.106 0.000 0.274 140 L C -0.215 176.452 176.870 -0.337 0.000 1.201 140 L CA 0.192 54.828 54.840 -0.341 0.000 0.869 140 L CB 0.787 42.398 42.059 -0.747 0.000 1.123 140 L HN -0.064 nan 8.230 nan 0.000 0.484 141 V N 6.895 126.674 119.914 -0.225 0.000 2.444 141 V HA 0.462 4.519 4.120 -0.106 0.000 0.294 141 V C -0.893 175.108 176.094 -0.156 0.000 1.022 141 V CA -0.613 61.590 62.300 -0.163 0.000 0.850 141 V CB 1.970 33.743 31.823 -0.083 0.000 0.992 141 V HN 0.644 nan 8.190 nan 0.000 0.426 142 V N 6.416 126.234 119.914 -0.160 0.000 2.348 142 V HA 0.513 4.570 4.120 -0.106 0.000 0.270 142 V C -0.182 175.872 176.094 -0.066 0.000 1.037 142 V CA -0.163 62.067 62.300 -0.116 0.000 0.872 142 V CB 1.221 32.947 31.823 -0.162 0.000 1.002 142 V HN 1.084 nan 8.190 nan 0.000 0.464 143 D N 4.800 125.192 120.400 -0.013 0.000 2.277 143 D HA 0.200 4.777 4.640 -0.106 0.000 0.249 143 D C 1.009 177.340 176.300 0.052 0.000 1.134 143 D CA -0.106 53.901 54.000 0.011 0.000 0.863 143 D CB 1.440 42.251 40.800 0.020 0.000 1.143 143 D HN 0.640 nan 8.370 nan 0.000 0.458 144 D N 2.730 123.151 120.400 0.035 0.000 2.133 144 D HA -0.179 4.398 4.640 -0.106 0.000 0.192 144 D C 1.256 177.628 176.300 0.120 0.000 1.001 144 D CA 1.194 55.236 54.000 0.069 0.000 0.844 144 D CB 0.357 41.179 40.800 0.036 0.000 0.944 144 D HN 0.596 nan 8.370 nan 0.000 0.447 145 E N 0.207 120.453 120.200 0.077 0.000 2.158 145 E HA -0.018 4.269 4.350 -0.106 0.000 0.191 145 E C 2.571 179.209 176.600 0.064 0.000 0.982 145 E CA 0.044 56.481 56.400 0.063 0.000 0.823 145 E CB -0.132 29.590 29.700 0.037 0.000 0.766 145 E HN 0.378 nan 8.360 nan 0.000 0.468 146 L N 0.014 121.282 121.223 0.076 0.000 2.072 146 L HA -0.102 4.175 4.340 -0.106 0.000 0.205 146 L C 2.448 179.372 176.870 0.090 0.000 1.079 146 L CA 0.831 55.712 54.840 0.069 0.000 0.752 146 L CB -0.423 41.675 42.059 0.065 0.000 0.906 146 L HN 0.038 nan 8.230 nan 0.000 0.436 147 F N 1.311 121.256 119.950 -0.008 0.000 2.126 147 F HA -0.240 4.223 4.527 -0.106 0.000 0.299 147 F C 2.373 178.168 175.800 -0.009 0.000 1.096 147 F CA 1.666 59.659 58.000 -0.011 0.000 1.255 147 F CB -0.124 38.864 39.000 -0.020 0.000 0.997 147 F HN -0.145 nan 8.300 nan 0.000 0.479 148 K N 0.062 120.455 120.400 -0.012 0.000 2.211 148 K HA -0.128 4.128 4.320 -0.106 0.000 0.203 148 K C 1.948 178.462 176.600 -0.145 0.000 1.050 148 K CA 1.332 57.557 56.287 -0.103 0.000 0.945 148 K CB -0.052 32.469 32.500 0.035 0.000 0.732 148 K HN 0.295 nan 8.250 nan 0.000 0.451 149 K N 0.189 120.530 120.400 -0.100 0.000 2.137 149 K HA -0.089 4.168 4.320 -0.106 0.000 0.202 149 K C 1.935 178.465 176.600 -0.117 0.000 1.052 149 K CA 0.881 57.118 56.287 -0.084 0.000 0.961 149 K CB 0.144 32.621 32.500 -0.038 0.000 0.741 149 K HN -0.042 nan 8.250 nan 0.000 0.452 150 E N 1.333 121.447 120.200 -0.144 0.000 2.152 150 E HA -0.088 4.199 4.350 -0.106 0.000 0.192 150 E C 1.732 178.190 176.600 -0.237 0.000 0.983 150 E CA 0.590 56.915 56.400 -0.125 0.000 0.818 150 E CB -0.014 29.655 29.700 -0.052 0.000 0.758 150 E HN 0.062 nan 8.360 nan 0.000 0.467 151 I N 0.761 121.065 120.570 -0.445 0.000 2.286 151 I HA -0.229 3.878 4.170 -0.106 0.000 0.248 151 I C 2.116 178.094 176.117 -0.233 0.000 1.115 151 I CA 1.342 62.370 61.300 -0.454 0.000 1.392 151 I CB -0.784 36.793 38.000 -0.704 0.000 1.065 151 I HN 0.264 nan 8.210 nan 0.000 0.418 152 Q N 0.272 119.964 119.800 -0.179 0.000 2.119 152 Q HA -0.106 4.171 4.340 -0.106 0.000 0.201 152 Q C 2.172 178.133 176.000 -0.065 0.000 0.972 152 Q CA 1.405 57.149 55.803 -0.100 0.000 0.847 152 Q CB -0.193 28.498 28.738 -0.078 0.000 0.903 152 Q HN 0.313 nan 8.270 nan 0.000 0.433 153 V N 0.225 120.103 119.914 -0.061 0.000 2.295 153 V HA -0.247 3.810 4.120 -0.106 0.000 0.246 153 V C 2.158 178.259 176.094 0.011 0.000 1.049 153 V CA 1.796 64.087 62.300 -0.015 0.000 1.024 153 V CB -0.458 31.373 31.823 0.013 0.000 0.648 153 V HN 0.400 nan 8.190 nan 0.000 0.447 154 I N 0.266 120.809 120.570 -0.045 0.000 2.286 154 I HA -0.234 3.873 4.170 -0.106 0.000 0.248 154 I C 2.586 178.693 176.117 -0.017 0.000 1.115 154 I CA 1.345 62.615 61.300 -0.049 0.000 1.392 154 I CB -0.474 37.423 38.000 -0.171 0.000 1.065 154 I HN 0.290 nan 8.210 nan 0.000 0.418 155 A N 0.188 122.986 122.820 -0.037 0.000 1.933 155 A HA -0.187 4.070 4.320 -0.106 0.000 0.218 155 A C 2.197 179.792 177.584 0.018 0.000 1.175 155 A CA 1.485 53.510 52.037 -0.019 0.000 0.628 155 A CB -0.331 18.650 19.000 -0.032 0.000 0.814 155 A HN 0.322 nan 8.150 nan 0.000 0.444 156 E N -0.483 119.738 120.200 0.034 0.000 2.216 156 E HA -0.124 4.163 4.350 -0.106 0.000 0.192 156 E C 1.846 178.547 176.600 0.167 0.000 0.988 156 E CA 0.885 57.328 56.400 0.071 0.000 0.834 156 E CB -0.252 29.469 29.700 0.036 0.000 0.772 156 E HN 0.852 nan 8.360 nan 0.000 0.479 157 E N 1.220 121.533 120.200 0.187 0.000 2.110 157 E HA -0.198 4.088 4.350 -0.106 0.000 0.193 157 E C 2.191 178.885 176.600 0.158 0.000 0.988 157 E CA 0.756 57.350 56.400 0.324 0.000 0.804 157 E CB 0.080 29.940 29.700 0.265 0.000 0.745 157 E HN 0.038 nan 8.360 nan 0.000 0.458 158 R N 0.257 120.787 120.500 0.049 0.000 2.081 158 R HA -0.137 4.140 4.340 -0.106 0.000 0.235 158 R C 2.307 178.602 176.300 -0.009 0.000 1.131 158 R CA 1.607 57.689 56.100 -0.030 0.000 0.960 158 R CB 0.034 30.310 30.300 -0.039 0.000 0.856 158 R HN 0.064 nan 8.270 nan 0.000 0.436 159 R N -0.863 119.670 120.500 0.055 0.000 2.062 159 R HA -0.138 4.138 4.340 -0.106 0.000 0.229 159 R C 1.955 178.318 176.300 0.104 0.000 1.128 159 R CA 1.621 57.760 56.100 0.066 0.000 0.960 159 R CB -0.645 29.701 30.300 0.078 0.000 0.855 159 R HN 0.375 nan 8.270 nan 0.000 0.432 160 W N 1.876 123.163 121.300 -0.022 0.000 2.358 160 W HA -0.048 4.549 4.660 -0.105 0.000 0.303 160 W C 1.445 177.950 176.519 -0.024 0.000 1.208 160 W CA 1.056 58.390 57.345 -0.019 0.000 1.274 160 W CB -0.049 29.402 29.460 -0.014 0.000 1.138 160 W HN -0.154 nan 8.180 nan 0.000 0.515 161 R N -0.312 119.893 120.500 -0.492 0.000 1.963 161 R HA 0.013 4.289 4.340 -0.106 0.000 0.193 161 R C 2.401 178.501 176.300 -0.334 0.000 1.437 161 R CA 1.809 57.511 56.100 -0.665 0.000 1.176 161 R CB -1.056 28.829 30.300 -0.692 0.000 0.864 161 R HN -0.021 nan 8.270 nan 0.000 0.495 162 T N 1.811 116.212 114.554 -0.255 0.000 2.620 162 T HA -0.197 4.090 4.350 -0.106 0.000 0.267 162 T C 1.292 175.918 174.700 -0.124 0.000 1.044 162 T CA 1.973 63.964 62.100 -0.182 0.000 1.161 162 T CB -0.545 68.229 68.868 -0.157 0.000 0.862 162 T HN 0.268 nan 8.240 nan 0.000 0.438 163 D N 1.007 121.357 120.400 -0.084 0.000 2.218 163 D HA -0.051 4.526 4.640 -0.106 0.000 0.204 163 D C 1.375 177.651 176.300 -0.041 0.000 0.976 163 D CA 0.971 54.947 54.000 -0.041 0.000 0.853 163 D CB -0.263 40.532 40.800 -0.009 0.000 0.939 163 D HN 0.378 nan 8.370 nan 0.000 0.481 164 D N -0.390 119.973 120.400 -0.061 0.000 2.398 164 D HA 0.077 4.654 4.640 -0.106 0.000 0.210 164 D C 0.012 176.267 176.300 -0.075 0.000 1.094 164 D CA 0.063 54.037 54.000 -0.043 0.000 0.839 164 D CB 0.503 41.303 40.800 -0.000 0.000 0.963 164 D HN 0.044 nan 8.370 nan 0.000 0.506 165 K N 1.516 121.840 120.400 -0.126 0.000 2.299 165 K HA 0.193 4.450 4.320 -0.106 0.000 0.268 165 K C -1.789 174.720 176.600 -0.151 0.000 1.075 165 K CA -1.782 54.417 56.287 -0.146 0.000 0.936 165 K CB 2.167 34.543 32.500 -0.207 0.000 1.228 165 K HN -0.223 nan 8.250 nan 0.000 0.454 166 P HA -0.362 nan 4.420 nan 0.000 0.222 166 P C 1.168 178.276 177.300 -0.321 0.000 1.147 166 P CA 1.602 64.619 63.100 -0.138 0.000 0.958 166 P CB 0.083 31.750 31.700 -0.055 0.000 0.788 167 R N -0.352 119.833 120.500 -0.526 0.000 2.120 167 R HA -0.056 4.221 4.340 -0.106 0.000 0.234 167 R C 1.904 177.992 176.300 -0.353 0.000 1.123 167 R CA 2.186 57.805 56.100 -0.802 0.000 0.975 167 R CB -1.655 28.199 30.300 -0.744 0.000 0.866 167 R HN 0.111 nan 8.270 nan 0.000 0.446 168 S N 0.828 116.366 115.700 -0.270 0.000 2.368 168 S HA -0.003 4.404 4.470 -0.106 0.000 0.224 168 S C 1.763 176.309 174.600 -0.090 0.000 1.029 168 S CA 0.869 58.959 58.200 -0.184 0.000 0.988 168 S CB -0.089 62.988 63.200 -0.205 0.000 0.838 168 S HN 0.280 nan 8.310 nan 0.000 0.462 169 K N 1.416 121.760 120.400 -0.094 0.000 2.148 169 K HA 0.121 4.378 4.320 -0.106 0.000 0.204 169 K C 2.085 178.682 176.600 -0.006 0.000 1.050 169 K CA 1.023 57.285 56.287 -0.040 0.000 0.942 169 K CB -0.419 32.058 32.500 -0.038 0.000 0.724 169 K HN 0.321 nan 8.250 nan 0.000 0.446 170 A N -0.447 122.360 122.820 -0.022 0.000 1.897 170 A HA -0.125 4.132 4.320 -0.106 0.000 0.215 170 A C 2.061 179.673 177.584 0.047 0.000 1.181 170 A CA 0.938 52.986 52.037 0.018 0.000 0.620 170 A CB -0.688 18.326 19.000 0.024 0.000 0.821 170 A HN 0.305 nan 8.150 nan 0.000 0.443 171 Y N -0.154 120.090 120.300 -0.093 0.000 2.224 171 Y HA -0.204 4.282 4.550 -0.107 0.000 0.289 171 Y C 2.565 178.445 175.900 -0.033 0.000 1.146 171 Y CA 1.823 59.888 58.100 -0.059 0.000 1.182 171 Y CB 0.025 38.432 38.460 -0.088 0.000 0.983 171 Y HN 0.468 nan 8.280 nan 0.000 0.524 172 E N -0.209 120.053 120.200 0.103 0.000 2.051 172 E HA -0.246 4.040 4.350 -0.106 0.000 0.192 172 E C 2.352 179.006 176.600 0.090 0.000 0.991 172 E CA 0.967 57.404 56.400 0.061 0.000 0.799 172 E CB -0.187 29.530 29.700 0.029 0.000 0.748 172 E HN 0.453 nan 8.360 nan 0.000 0.449 173 A N 1.035 123.898 122.820 0.072 0.000 1.877 173 A HA -0.195 4.061 4.320 -0.106 0.000 0.216 173 A C 2.143 179.751 177.584 0.040 0.000 1.186 173 A CA 1.383 53.460 52.037 0.067 0.000 0.620 173 A CB -0.739 18.285 19.000 0.039 0.000 0.822 173 A HN 0.361 nan 8.150 nan 0.000 0.443 174 L N -0.778 120.437 121.223 -0.013 0.000 1.989 174 L HA -0.199 4.078 4.340 -0.106 0.000 0.211 174 L C 2.395 179.253 176.870 -0.020 0.000 1.071 174 L CA 2.273 57.069 54.840 -0.075 0.000 0.749 174 L CB -0.454 41.481 42.059 -0.206 0.000 0.890 174 L HN 0.324 nan 8.230 nan 0.000 0.431 175 M N -0.627 119.000 119.600 0.046 0.000 2.159 175 M HA -0.108 4.309 4.480 -0.106 0.000 0.263 175 M C 2.422 178.867 176.300 0.243 0.000 1.063 175 M CA 1.741 57.151 55.300 0.184 0.000 1.110 175 M CB -1.832 30.877 32.600 0.183 0.000 1.374 175 M HN 0.470 nan 8.290 nan 0.000 0.411 176 A N 0.047 122.985 122.820 0.197 0.000 1.930 176 A HA 0.099 4.356 4.320 -0.106 0.000 0.217 176 A C 2.421 180.109 177.584 0.174 0.000 1.175 176 A CA 1.887 54.069 52.037 0.242 0.000 0.627 176 A CB -0.746 18.430 19.000 0.293 0.000 0.815 176 A HN 0.464 nan 8.150 nan 0.000 0.443 177 A N -1.131 121.750 122.820 0.103 0.000 1.930 177 A HA 0.018 4.275 4.320 -0.106 0.000 0.215 177 A C 2.439 180.048 177.584 0.043 0.000 1.176 177 A CA 1.877 53.947 52.037 0.055 0.000 0.632 177 A CB -0.711 18.294 19.000 0.009 0.000 0.819 177 A HN 0.533 nan 8.150 nan 0.000 0.445 178 S N -1.715 113.992 115.700 0.011 0.000 2.395 178 S HA 0.024 4.431 4.470 -0.106 0.000 0.225 178 S C 0.160 174.740 174.600 -0.035 0.000 1.027 178 S CA 0.278 58.424 58.200 -0.091 0.000 0.965 178 S CB -0.287 62.729 63.200 -0.307 0.000 0.812 178 S HN 0.464 nan 8.310 nan 0.000 0.482 179 Y N 1.489 121.916 120.300 0.212 0.000 2.385 179 Y HA 0.348 4.834 4.550 -0.107 0.000 0.341 179 Y C 1.026 177.023 175.900 0.161 0.000 0.965 179 Y CA -0.664 57.570 58.100 0.224 0.000 1.180 179 Y CB 1.475 40.089 38.460 0.257 0.000 1.139 179 Y HN 0.050 nan 8.280 nan 0.000 0.502 180 V N -0.137 119.920 119.914 0.239 0.000 2.951 180 V HA 0.079 4.136 4.120 -0.106 0.000 0.255 180 V C 1.240 177.432 176.094 0.163 0.000 1.088 180 V CA 1.801 64.199 62.300 0.164 0.000 1.109 180 V CB -0.041 31.840 31.823 0.096 0.000 0.724 180 V HN 0.767 nan 8.190 nan 0.000 0.471 181 A N -1.009 121.928 122.820 0.193 0.000 1.977 181 A HA 0.291 4.548 4.320 -0.106 0.000 0.197 181 A C 0.988 178.653 177.584 0.136 0.000 1.554 181 A CA 0.154 52.276 52.037 0.141 0.000 1.037 181 A CB -0.471 18.590 19.000 0.101 0.000 1.083 181 A HN 0.634 nan 8.150 nan 0.000 0.471 182 H N 1.981 121.113 119.070 0.104 0.000 2.964 182 H HA 0.182 4.675 4.556 -0.105 0.000 0.328 182 H C -1.614 173.694 175.328 -0.033 0.000 1.030 182 H CA -0.645 55.390 56.048 -0.020 0.000 1.445 182 H CB 1.182 30.868 29.762 -0.127 0.000 1.449 182 H HN 0.100 nan 8.280 nan 0.000 0.581 183 P HA -0.193 nan 4.420 nan 0.000 0.228 183 P C 0.682 178.063 177.300 0.136 0.000 1.151 183 P CA 1.344 64.411 63.100 -0.055 0.000 0.770 183 P CB -0.010 31.610 31.700 -0.134 0.000 0.786 184 Y N 1.176 121.499 120.300 0.039 0.000 2.651 184 Y HA -0.145 4.341 4.550 -0.107 0.000 0.296 184 Y C 2.645 178.485 175.900 -0.099 0.000 1.150 184 Y CA 0.038 58.074 58.100 -0.107 0.000 1.348 184 Y CB -0.231 37.995 38.460 -0.390 0.000 0.983 184 Y HN 0.070 nan 8.280 nan 0.000 0.555 185 R N -0.126 120.470 120.500 0.161 0.000 2.148 185 R HA -0.014 4.262 4.340 -0.106 0.000 0.223 185 R C 0.420 176.788 176.300 0.113 0.000 1.088 185 R CA 0.454 56.692 56.100 0.230 0.000 0.985 185 R CB -0.797 29.689 30.300 0.311 0.000 0.880 185 R HN -0.033 nan 8.270 nan 0.000 0.451 186 V N 4.135 124.046 119.914 -0.005 0.000 2.583 186 V HA 0.206 4.262 4.120 -0.106 0.000 0.287 186 V C -1.938 173.920 176.094 -0.393 0.000 1.051 186 V CA -2.045 60.080 62.300 -0.293 0.000 1.010 186 V CB 1.171 32.834 31.823 -0.266 0.000 0.988 186 V HN 0.215 nan 8.190 nan 0.000 0.478 187 P HA 0.128 nan 4.420 nan 0.000 0.271 187 P C 1.069 178.106 177.300 -0.438 0.000 1.216 187 P CA -0.030 62.795 63.100 -0.458 0.000 0.771 187 P CB 1.044 32.450 31.700 -0.490 0.000 0.864 188 V N 4.394 124.093 119.914 -0.358 0.000 2.278 188 V HA -0.273 3.784 4.120 -0.106 0.000 0.251 188 V C 2.335 178.184 176.094 -0.409 0.000 1.062 188 V CA 1.940 64.025 62.300 -0.359 0.000 1.038 188 V CB -1.103 30.497 31.823 -0.372 0.000 0.646 188 V HN 0.576 nan 8.190 nan 0.000 0.447 189 I N -0.432 119.851 120.570 -0.479 0.000 2.567 189 I HA 0.119 4.226 4.170 -0.106 0.000 0.257 189 I C 1.118 177.018 176.117 -0.361 0.000 1.184 189 I CA 1.113 62.089 61.300 -0.541 0.000 1.451 189 I CB -0.323 37.385 38.000 -0.486 0.000 1.089 189 I HN 0.567 nan 8.210 nan 0.000 0.441 190 G N -0.678 107.885 108.800 -0.395 0.000 2.662 190 G HA2 -0.262 3.634 3.960 -0.106 0.000 0.686 190 G HA3 -0.262 3.634 3.960 -0.106 0.000 0.686 190 G C -0.905 173.806 174.900 -0.315 0.000 1.271 190 G CA -0.475 44.397 45.100 -0.380 0.000 0.816 190 G HN 0.321 nan 8.290 nan 0.000 0.608 191 W N 1.085 122.347 121.300 -0.063 0.000 2.216 191 W HA 0.474 5.071 4.660 -0.105 0.000 0.326 191 W C 1.690 178.182 176.519 -0.045 0.000 1.319 191 W CA -0.247 57.070 57.345 -0.046 0.000 1.213 191 W CB 0.734 30.177 29.460 -0.030 0.000 1.171 191 W HN 0.727 nan 8.180 nan 0.000 0.557 192 M N 2.965 122.692 119.600 0.212 0.000 2.108 192 M HA -0.325 4.092 4.480 -0.106 0.000 0.257 192 M C 1.873 178.226 176.300 0.089 0.000 1.071 192 M CA 2.308 57.670 55.300 0.102 0.000 1.093 192 M CB -0.796 31.853 32.600 0.081 0.000 1.345 192 M HN 0.587 nan 8.290 nan 0.000 0.403 193 N N -0.407 118.359 118.700 0.110 0.000 2.166 193 N HA -0.173 4.503 4.740 -0.106 0.000 0.186 193 N C 1.071 176.627 175.510 0.076 0.000 1.019 193 N CA 2.053 55.144 53.050 0.068 0.000 0.856 193 N CB -0.237 38.272 38.487 0.037 0.000 0.993 193 N HN 0.415 nan 8.380 nan 0.000 0.426 194 D N -0.147 120.326 120.400 0.121 0.000 2.194 194 D HA 0.003 4.580 4.640 -0.106 0.000 0.204 194 D C 1.882 178.220 176.300 0.063 0.000 0.964 194 D CA 0.588 54.649 54.000 0.101 0.000 0.846 194 D CB -0.144 40.743 40.800 0.144 0.000 0.962 194 D HN 0.398 nan 8.370 nan 0.000 0.490 195 I N 0.768 121.367 120.570 0.048 0.000 2.208 195 I HA -0.248 3.859 4.170 -0.106 0.000 0.245 195 I C 2.102 178.226 176.117 0.012 0.000 1.097 195 I CA 1.036 62.343 61.300 0.011 0.000 1.363 195 I CB -0.072 37.921 38.000 -0.012 0.000 1.051 195 I HN -0.050 nan 8.210 nan 0.000 0.413 196 Q N 0.124 119.937 119.800 0.022 0.000 2.432 196 Q HA -0.025 4.252 4.340 -0.106 0.000 0.205 196 Q C 1.208 177.230 176.000 0.036 0.000 0.945 196 Q CA 0.785 56.598 55.803 0.017 0.000 0.924 196 Q CB -0.137 28.610 28.738 0.015 0.000 1.016 196 Q HN 0.536 nan 8.270 nan 0.000 0.503 197 N N -0.390 118.341 118.700 0.051 0.000 2.254 197 N HA 0.068 4.745 4.740 -0.106 0.000 0.190 197 N C 0.483 176.044 175.510 0.086 0.000 1.107 197 N CA -0.004 53.082 53.050 0.060 0.000 0.869 197 N CB 0.384 38.900 38.487 0.049 0.000 0.983 197 N HN 0.236 nan 8.380 nan 0.000 0.487 198 M N 1.701 121.368 119.600 0.110 0.000 2.249 198 M HA 0.005 4.422 4.480 -0.106 0.000 0.340 198 M C 0.200 176.664 176.300 0.273 0.000 1.166 198 M CA 0.433 55.834 55.300 0.167 0.000 1.115 198 M CB 0.490 33.212 32.600 0.204 0.000 1.606 198 M HN 0.156 nan 8.290 nan 0.000 0.448 199 T N 1.665 116.295 114.554 0.126 0.000 2.949 199 T HA 0.694 4.980 4.350 -0.106 0.000 0.287 199 T C 0.778 175.104 174.700 -0.625 0.000 1.034 199 T CA -0.474 61.623 62.100 -0.005 0.000 1.018 199 T CB 1.523 70.369 68.868 -0.038 0.000 1.135 199 T HN 0.717 nan 8.240 nan 0.000 0.532 200 A N 0.200 122.480 122.820 -0.900 0.000 1.933 200 A HA -0.071 4.185 4.320 -0.106 0.000 0.218 200 A C 2.308 179.561 177.584 -0.552 0.000 1.175 200 A CA 1.927 53.259 52.037 -1.175 0.000 0.628 200 A CB -1.185 17.464 19.000 -0.585 0.000 0.814 200 A HN 0.829 nan 8.150 nan 0.000 0.444 201 Q N 0.358 119.976 119.800 -0.302 0.000 2.124 201 Q HA -0.164 4.112 4.340 -0.106 0.000 0.202 201 Q C 1.322 177.256 176.000 -0.110 0.000 0.977 201 Q CA 1.918 57.628 55.803 -0.156 0.000 0.850 201 Q CB -0.363 28.323 28.738 -0.086 0.000 0.901 201 Q HN 0.624 nan 8.270 nan 0.000 0.429 202 D N -0.959 119.367 120.400 -0.124 0.000 2.133 202 D HA -0.148 4.429 4.640 -0.106 0.000 0.195 202 D C 1.771 178.072 176.300 0.002 0.000 0.997 202 D CA 1.577 55.557 54.000 -0.034 0.000 0.840 202 D CB -0.051 40.730 40.800 -0.031 0.000 0.947 202 D HN 0.205 nan 8.370 nan 0.000 0.452 203 V N 0.967 120.806 119.914 -0.124 0.000 2.453 203 V HA -0.167 3.890 4.120 -0.106 0.000 0.247 203 V C 2.465 178.575 176.094 0.028 0.000 1.048 203 V CA 1.269 63.539 62.300 -0.050 0.000 1.049 203 V CB -0.373 31.351 31.823 -0.165 0.000 0.672 203 V HN 0.108 nan 8.190 nan 0.000 0.457 204 R N 0.249 120.721 120.500 -0.047 0.000 2.083 204 R HA -0.172 4.104 4.340 -0.106 0.000 0.237 204 R C 2.124 178.486 176.300 0.103 0.000 1.137 204 R CA 1.888 57.995 56.100 0.013 0.000 0.951 204 R CB -0.543 29.734 30.300 -0.038 0.000 0.851 204 R HN 0.498 nan 8.270 nan 0.000 0.434 205 D N -0.067 120.384 120.400 0.086 0.000 2.104 205 D HA -0.242 4.335 4.640 -0.106 0.000 0.194 205 D C 1.511 177.904 176.300 0.156 0.000 0.994 205 D CA 0.864 54.922 54.000 0.096 0.000 0.830 205 D CB -0.437 40.420 40.800 0.096 0.000 0.959 205 D HN 0.341 nan 8.370 nan 0.000 0.452 206 W N 0.709 122.043 121.300 0.056 0.000 2.335 206 W HA -0.294 4.303 4.660 -0.107 0.000 0.311 206 W C 2.270 178.866 176.519 0.129 0.000 1.213 206 W CA 1.103 58.543 57.345 0.158 0.000 1.274 206 W CB -0.709 28.844 29.460 0.154 0.000 1.148 206 W HN 0.058 nan 8.180 nan 0.000 0.498 207 Y N 1.710 122.053 120.300 0.072 0.000 2.165 207 Y HA -0.291 4.196 4.550 -0.106 0.000 0.286 207 Y C 2.725 178.578 175.900 -0.079 0.000 1.155 207 Y CA 3.040 61.033 58.100 -0.178 0.000 1.164 207 Y CB -0.808 37.526 38.460 -0.210 0.000 0.978 207 Y HN -0.121 nan 8.280 nan 0.000 0.513 208 K N 0.051 120.431 120.400 -0.033 0.000 2.097 208 K HA -0.209 4.048 4.320 -0.106 0.000 0.205 208 K C 2.481 178.949 176.600 -0.220 0.000 1.050 208 K CA 1.351 57.563 56.287 -0.124 0.000 0.938 208 K CB -0.191 32.301 32.500 -0.014 0.000 0.718 208 K HN 0.310 nan 8.250 nan 0.000 0.442 209 R N -0.845 119.481 120.500 -0.290 0.000 2.062 209 R HA -0.107 4.170 4.340 -0.106 0.000 0.229 209 R C 1.240 177.192 176.300 -0.580 0.000 1.128 209 R CA 1.811 57.578 56.100 -0.554 0.000 0.960 209 R CB -0.087 29.692 30.300 -0.867 0.000 0.855 209 R HN 0.274 nan 8.270 nan 0.000 0.432 210 W N -1.915 119.254 121.300 -0.219 0.000 3.058 210 W HA 0.192 4.789 4.660 -0.105 0.000 0.306 210 W C -0.056 176.511 176.519 0.080 0.000 1.188 210 W CA -0.648 56.623 57.345 -0.124 0.000 1.651 210 W CB 0.552 29.843 29.460 -0.282 0.000 1.051 210 W HN -0.010 nan 8.180 nan 0.000 0.592 211 Y N 1.263 121.491 120.300 -0.119 0.000 2.883 211 Y HA 0.494 4.982 4.550 -0.105 0.000 0.385 211 Y C 0.879 176.764 175.900 -0.025 0.000 1.067 211 Y CA -1.218 56.798 58.100 -0.140 0.000 1.682 211 Y CB -0.253 37.881 38.460 -0.543 0.000 1.606 211 Y HN -0.206 nan 8.280 nan 0.000 0.508 212 G N 0.547 109.435 108.800 0.148 0.000 2.461 212 G HA2 0.327 4.224 3.960 -0.106 0.000 0.329 212 G HA3 0.327 4.224 3.960 -0.106 0.000 0.329 212 G C -1.631 173.339 174.900 0.117 0.000 1.170 212 G CA -1.608 43.549 45.100 0.096 0.000 0.935 212 G HN -0.005 nan 8.290 nan 0.000 0.492 213 P HA -0.135 nan 4.420 nan 0.000 0.216 213 P C 1.167 178.470 177.300 0.005 0.000 1.150 213 P CA 0.983 64.113 63.100 0.050 0.000 0.837 213 P CB 0.082 31.826 31.700 0.073 0.000 0.786 214 N N -0.600 118.113 118.700 0.021 0.000 2.521 214 N HA -0.094 4.583 4.740 -0.106 0.000 0.188 214 N C 0.818 176.345 175.510 0.028 0.000 1.146 214 N CA 0.484 53.542 53.050 0.013 0.000 0.893 214 N CB -0.916 37.580 38.487 0.014 0.000 0.975 214 N HN 0.106 nan 8.380 nan 0.000 0.451 215 N N -0.224 118.504 118.700 0.047 0.000 2.200 215 N HA 0.271 4.947 4.740 -0.106 0.000 0.224 215 N C -0.936 174.587 175.510 0.022 0.000 1.179 215 N CA -0.305 52.796 53.050 0.086 0.000 0.877 215 N CB 0.829 39.428 38.487 0.187 0.000 1.072 215 N HN 0.347 nan 8.380 nan 0.000 0.519 216 A N -0.996 121.768 122.820 -0.094 0.000 2.384 216 A HA 0.805 5.062 4.320 -0.106 0.000 0.312 216 A C -0.812 176.655 177.584 -0.194 0.000 1.113 216 A CA -0.457 51.417 52.037 -0.272 0.000 0.779 216 A CB 1.251 19.904 19.000 -0.578 0.000 1.307 216 A HN 0.113 nan 8.150 nan 0.000 0.436 217 T N 0.843 115.288 114.554 -0.182 0.000 2.879 217 T HA 0.492 4.778 4.350 -0.106 0.000 0.290 217 T C -0.939 173.680 174.700 -0.134 0.000 0.993 217 T CA -0.309 61.709 62.100 -0.137 0.000 0.975 217 T CB 1.309 70.111 68.868 -0.109 0.000 0.981 217 T HN 0.485 nan 8.240 nan 0.000 0.439 218 V N 4.067 123.867 119.914 -0.190 0.000 2.407 218 V HA 0.478 4.535 4.120 -0.106 0.000 0.278 218 V C -0.183 175.873 176.094 -0.063 0.000 1.037 218 V CA -0.501 61.689 62.300 -0.184 0.000 0.900 218 V CB 1.479 33.115 31.823 -0.313 0.000 0.983 218 V HN 0.711 nan 8.190 nan 0.000 0.459 219 V N 6.083 125.983 119.914 -0.023 0.000 2.444 219 V HA 0.534 4.591 4.120 -0.106 0.000 0.294 219 V C -0.363 175.753 176.094 0.036 0.000 1.022 219 V CA -0.535 61.766 62.300 0.002 0.000 0.850 219 V CB 1.968 33.794 31.823 0.004 0.000 0.992 219 V HN 0.579 nan 8.190 nan 0.000 0.426 220 V N 5.483 125.434 119.914 0.061 0.000 2.531 220 V HA 0.697 4.753 4.120 -0.106 0.000 0.301 220 V C -0.539 175.578 176.094 0.039 0.000 1.034 220 V CA -0.646 61.718 62.300 0.106 0.000 0.865 220 V CB 2.056 33.977 31.823 0.164 0.000 0.995 220 V HN 0.685 nan 8.190 nan 0.000 0.424 221 V N 4.153 124.089 119.914 0.036 0.000 2.733 221 V HA 1.075 5.131 4.120 -0.106 0.000 0.306 221 V C -0.096 175.993 176.094 -0.008 0.000 1.084 221 V CA 0.821 63.113 62.300 -0.013 0.000 0.905 221 V CB 1.385 33.184 31.823 -0.040 0.000 1.010 221 V HN 1.551 nan 8.190 nan 0.000 0.424 222 G N 4.521 113.289 108.800 -0.053 0.000 2.302 222 G HA2 0.101 3.998 3.960 -0.106 0.000 0.264 222 G HA3 0.101 3.998 3.960 -0.106 0.000 0.264 222 G C -1.237 173.593 174.900 -0.116 0.000 1.335 222 G CA -0.116 44.950 45.100 -0.056 0.000 0.982 222 G HN 1.058 nan 8.290 nan 0.000 0.473 223 D N 0.983 121.353 120.400 -0.050 0.000 2.498 223 D HA 0.428 5.004 4.640 -0.106 0.000 0.229 223 D C 0.573 176.907 176.300 0.057 0.000 1.188 223 D CA 0.777 54.781 54.000 0.007 0.000 1.028 223 D CB -0.180 40.675 40.800 0.093 0.000 1.087 223 D HN 1.224 nan 8.370 nan 0.000 0.510 224 V N -0.299 119.619 119.914 0.007 0.000 3.188 224 V HA 0.647 4.704 4.120 -0.106 0.000 0.305 224 V C -0.809 175.329 176.094 0.073 0.000 1.232 224 V CA -1.027 61.295 62.300 0.038 0.000 1.043 224 V CB 2.381 34.197 31.823 -0.010 0.000 1.068 224 V HN 0.012 nan 8.190 nan 0.000 0.439 225 E N 1.362 121.553 120.200 -0.015 0.000 2.151 225 E HA 0.337 4.624 4.350 -0.106 0.000 0.275 225 E C 0.465 176.884 176.600 -0.302 0.000 0.936 225 E CA -0.050 56.278 56.400 -0.120 0.000 0.777 225 E CB 1.597 31.206 29.700 -0.152 0.000 1.108 225 E HN 1.097 nan 8.360 nan 0.000 0.401 226 H N 1.585 120.360 119.070 -0.493 0.000 2.352 226 H HA -0.051 4.443 4.556 -0.104 0.000 0.299 226 H C 1.111 175.829 175.328 -1.016 0.000 1.097 226 H CA 1.330 56.885 56.048 -0.821 0.000 1.311 226 H CB 0.319 29.453 29.762 -1.046 0.000 1.377 226 H HN 0.295 nan 8.280 nan 0.000 0.504 227 E N 1.133 120.691 120.200 -1.071 0.000 2.077 227 E HA -0.145 4.142 4.350 -0.106 0.000 0.193 227 E C 2.591 179.031 176.600 -0.266 0.000 0.989 227 E CA 1.124 57.202 56.400 -0.536 0.000 0.800 227 E CB -0.532 28.908 29.700 -0.433 0.000 0.746 227 E HN 0.673 nan 8.360 nan 0.000 0.452 228 A N 0.892 123.549 122.820 -0.270 0.000 1.972 228 A HA -0.115 4.142 4.320 -0.106 0.000 0.219 228 A C 2.588 180.124 177.584 -0.079 0.000 1.169 228 A CA 1.272 53.229 52.037 -0.133 0.000 0.635 228 A CB -0.479 18.449 19.000 -0.120 0.000 0.810 228 A HN 0.136 nan 8.150 nan 0.000 0.446 229 V N -0.917 118.911 119.914 -0.142 0.000 2.379 229 V HA -0.180 3.877 4.120 -0.106 0.000 0.245 229 V C 2.290 178.471 176.094 0.145 0.000 1.044 229 V CA 1.627 63.909 62.300 -0.030 0.000 1.036 229 V CB -0.977 30.798 31.823 -0.079 0.000 0.664 229 V HN 0.529 nan 8.190 nan 0.000 0.453 230 F N 0.762 120.735 119.950 0.039 0.000 2.134 230 F HA -0.121 4.341 4.527 -0.107 0.000 0.299 230 F C 2.538 178.366 175.800 0.046 0.000 1.097 230 F CA 1.309 59.340 58.000 0.052 0.000 1.264 230 F CB -1.092 37.934 39.000 0.043 0.000 1.001 230 F HN 0.062 nan 8.300 nan 0.000 0.479 231 R N 0.012 120.632 120.500 0.201 0.000 2.083 231 R HA -0.151 4.126 4.340 -0.106 0.000 0.237 231 R C 2.170 178.533 176.300 0.106 0.000 1.137 231 R CA 0.907 57.077 56.100 0.116 0.000 0.951 231 R CB -1.132 29.201 30.300 0.056 0.000 0.851 231 R HN 0.105 nan 8.270 nan 0.000 0.434 232 L N 0.018 121.301 121.223 0.100 0.000 2.079 232 L HA -0.141 4.136 4.340 -0.106 0.000 0.210 232 L C 2.179 179.131 176.870 0.136 0.000 1.081 232 L CA 2.159 57.051 54.840 0.087 0.000 0.752 232 L CB -1.130 40.972 42.059 0.072 0.000 0.896 232 L HN 0.262 nan 8.230 nan 0.000 0.433 233 A N -0.976 121.980 122.820 0.227 0.000 1.902 233 A HA -0.216 4.040 4.320 -0.106 0.000 0.217 233 A C 2.213 179.935 177.584 0.231 0.000 1.181 233 A CA 1.624 53.858 52.037 0.330 0.000 0.623 233 A CB -0.469 18.731 19.000 0.333 0.000 0.818 233 A HN 0.509 nan 8.150 nan 0.000 0.443 234 E N -0.291 120.003 120.200 0.158 0.000 2.077 234 E HA -0.231 4.055 4.350 -0.106 0.000 0.193 234 E C 2.167 178.813 176.600 0.078 0.000 0.989 234 E CA 1.447 57.910 56.400 0.105 0.000 0.800 234 E CB -0.209 29.540 29.700 0.082 0.000 0.746 234 E HN 0.731 nan 8.360 nan 0.000 0.452 235 Q N -0.257 119.581 119.800 0.063 0.000 2.369 235 Q HA -0.086 4.190 4.340 -0.106 0.000 0.206 235 Q C 1.785 177.785 176.000 0.001 0.000 0.963 235 Q CA 1.555 57.375 55.803 0.028 0.000 0.894 235 Q CB 0.219 28.968 28.738 0.018 0.000 0.965 235 Q HN 0.396 nan 8.270 nan 0.000 0.475 236 T N -3.769 110.780 114.554 -0.009 0.000 3.463 236 T HA 0.007 4.294 4.350 -0.106 0.000 0.203 236 T C 1.436 176.083 174.700 -0.088 0.000 0.955 236 T CA -0.142 61.889 62.100 -0.116 0.000 1.230 236 T CB -0.834 67.865 68.868 -0.283 0.000 1.392 236 T HN 0.042 nan 8.240 nan 0.000 0.361 237 Y N 2.347 122.688 120.300 0.069 0.000 2.207 237 Y HA 0.141 4.628 4.550 -0.104 0.000 0.287 237 Y C 2.971 178.900 175.900 0.048 0.000 1.156 237 Y CA 1.229 59.368 58.100 0.066 0.000 1.182 237 Y CB -1.069 37.434 38.460 0.071 0.000 0.979 237 Y HN 0.508 nan 8.280 nan 0.000 0.521 238 G N -0.074 108.843 108.800 0.195 0.000 2.448 238 G HA2 -0.221 3.676 3.960 -0.106 0.000 0.219 238 G HA3 -0.221 3.676 3.960 -0.106 0.000 0.219 238 G C 1.394 176.342 174.900 0.079 0.000 1.127 238 G CA 0.519 45.689 45.100 0.118 0.000 0.766 238 G HN 0.341 nan 8.290 nan 0.000 0.552 239 K N -0.478 119.963 120.400 0.068 0.000 2.546 239 K HA 0.232 4.488 4.320 -0.106 0.000 0.198 239 K C -0.490 176.140 176.600 0.050 0.000 1.028 239 K CA -0.353 55.962 56.287 0.046 0.000 1.150 239 K CB 0.147 32.666 32.500 0.030 0.000 0.876 239 K HN 0.152 nan 8.250 nan 0.000 0.508 240 L N 0.530 121.794 121.223 0.069 0.000 2.334 240 L HA 0.341 4.618 4.340 -0.106 0.000 0.275 240 L C 0.010 176.913 176.870 0.054 0.000 1.036 240 L CA -0.555 54.327 54.840 0.070 0.000 0.807 240 L CB 1.405 43.526 42.059 0.104 0.000 1.231 240 L HN -0.030 nan 8.230 nan 0.000 0.438 241 A N 2.782 125.627 122.820 0.041 0.000 2.363 241 A HA 0.430 4.686 4.320 -0.106 0.000 0.270 241 A C 0.330 177.928 177.584 0.022 0.000 1.121 241 A CA -0.419 51.634 52.037 0.026 0.000 0.800 241 A CB 0.035 19.045 19.000 0.017 0.000 1.052 241 A HN 0.712 nan 8.150 nan 0.000 0.493 242 R N 1.351 121.860 120.500 0.015 0.000 2.537 242 R HA 0.245 4.521 4.340 -0.106 0.000 0.281 242 R C -0.677 175.619 176.300 -0.007 0.000 0.988 242 R CA 0.282 56.386 56.100 0.007 0.000 1.077 242 R CB 0.148 30.449 30.300 0.002 0.000 0.932 242 R HN 0.503 nan 8.270 nan 0.000 0.409 243 V N 4.095 124.000 119.914 -0.014 0.000 2.630 243 V HA 0.097 4.153 4.120 -0.106 0.000 0.305 243 V C -0.265 175.793 176.094 -0.060 0.000 1.046 243 V CA -0.751 61.523 62.300 -0.043 0.000 0.934 243 V CB 1.749 33.539 31.823 -0.056 0.000 1.003 243 V HN 0.833 nan 8.190 nan 0.000 0.451 244 E N 3.071 123.220 120.200 -0.085 0.000 2.493 244 E HA 0.368 4.655 4.350 -0.106 0.000 0.255 244 E C 0.075 176.582 176.600 -0.155 0.000 0.999 244 E CA 0.287 56.625 56.400 -0.103 0.000 0.934 244 E CB 0.664 30.297 29.700 -0.112 0.000 0.940 244 E HN 0.761 nan 8.360 nan 0.000 0.473 245 A N 4.216 126.963 122.820 -0.121 0.000 2.897 245 A HA 0.262 4.518 4.320 -0.106 0.000 0.230 245 A C -2.276 175.264 177.584 -0.073 0.000 0.896 245 A CA -1.054 50.891 52.037 -0.152 0.000 1.114 245 A CB -0.200 18.758 19.000 -0.071 0.000 1.230 245 A HN 0.604 nan 8.150 nan 0.000 0.481 246 P HA 0.113 nan 4.420 nan 0.000 0.264 246 P C 0.669 177.970 177.300 0.001 0.000 1.156 246 P CA 1.163 64.243 63.100 -0.033 0.000 0.756 246 P CB 0.319 31.992 31.700 -0.045 0.000 0.764 247 A N 4.116 126.947 122.820 0.019 0.000 2.610 247 A HA -0.177 4.080 4.320 -0.106 0.000 0.250 247 A C 0.768 178.390 177.584 0.062 0.000 0.978 247 A CA 0.566 52.628 52.037 0.042 0.000 0.827 247 A CB -0.398 18.620 19.000 0.030 0.000 0.867 247 A HN 0.532 nan 8.150 nan 0.000 0.495 248 R N 1.601 122.161 120.500 0.100 0.000 2.643 248 R HA 0.133 4.410 4.340 -0.106 0.000 0.270 248 R C 0.123 176.467 176.300 0.073 0.000 1.061 248 R CA 0.030 56.205 56.100 0.125 0.000 1.107 248 R CB 0.480 30.869 30.300 0.149 0.000 0.999 248 R HN 0.740 nan 8.270 nan 0.000 0.460 249 K N 2.561 123.001 120.400 0.067 0.000 2.412 249 K HA -0.040 4.216 4.320 -0.106 0.000 0.281 249 K C -0.411 176.201 176.600 0.021 0.000 1.027 249 K CA 0.206 56.516 56.287 0.039 0.000 0.989 249 K CB 0.701 33.222 32.500 0.035 0.000 0.935 249 K HN 0.365 nan 8.250 nan 0.000 0.475 250 Q N 2.977 122.786 119.800 0.015 0.000 2.534 250 Q HA 0.061 4.338 4.340 -0.106 0.000 0.223 250 Q C -0.625 175.372 176.000 -0.006 0.000 1.239 250 Q CA 0.113 55.920 55.803 0.008 0.000 0.936 250 Q CB 0.320 29.069 28.738 0.017 0.000 1.457 250 Q HN 0.323 nan 8.270 nan 0.000 0.547 251 Q N 0.723 120.494 119.800 -0.047 0.000 2.394 251 Q HA 0.547 4.824 4.340 -0.106 0.000 0.248 251 Q C 0.167 176.158 176.000 -0.014 0.000 0.992 251 Q CA 0.065 55.815 55.803 -0.087 0.000 0.888 251 Q CB 0.928 29.527 28.738 -0.230 0.000 1.257 251 Q HN 0.728 nan 8.270 nan 0.000 0.462 252 G N 0.506 109.332 108.800 0.042 0.000 2.949 252 G HA2 0.485 4.382 3.960 -0.106 0.000 0.285 252 G HA3 0.485 4.382 3.960 -0.106 0.000 0.285 252 G C -1.621 173.399 174.900 0.200 0.000 1.395 252 G CA -0.427 44.761 45.100 0.145 0.000 0.901 252 G HN 0.478 nan 8.290 nan 0.000 0.519 253 E N 0.602 120.893 120.200 0.152 0.000 2.241 253 E HA 0.540 4.827 4.350 -0.106 0.000 0.263 253 E C -2.325 174.293 176.600 0.030 0.000 0.882 253 E CA -1.602 54.873 56.400 0.125 0.000 0.769 253 E CB 1.825 31.625 29.700 0.167 0.000 1.185 253 E HN 0.357 nan 8.360 nan 0.000 0.415 254 P HA 0.103 nan 4.420 nan 0.000 0.270 254 P C -0.680 176.587 177.300 -0.055 0.000 1.223 254 P CA -0.406 62.691 63.100 -0.006 0.000 0.785 254 P CB 0.614 32.318 31.700 0.007 0.000 0.923 255 Q N 0.611 120.384 119.800 -0.045 0.000 2.330 255 Q HA 0.057 4.334 4.340 -0.106 0.000 0.279 255 Q C 0.218 176.181 176.000 -0.062 0.000 1.024 255 Q CA 0.628 56.393 55.803 -0.064 0.000 0.900 255 Q CB 0.126 28.849 28.738 -0.025 0.000 1.221 255 Q HN 0.333 nan 8.270 nan 0.000 0.396 256 Q N 1.290 121.041 119.800 -0.082 0.000 2.294 256 Q HA 0.523 4.800 4.340 -0.106 0.000 0.257 256 Q C -1.210 174.799 176.000 0.016 0.000 0.955 256 Q CA -0.330 55.461 55.803 -0.019 0.000 0.936 256 Q CB 0.616 29.377 28.738 0.037 0.000 1.188 256 Q HN 0.672 nan 8.270 nan 0.000 0.420 257 A N 3.770 126.598 122.820 0.014 0.000 3.204 257 A HA 0.687 4.943 4.320 -0.106 0.000 0.327 257 A C -0.347 177.247 177.584 0.016 0.000 0.998 257 A CA 0.093 52.141 52.037 0.019 0.000 0.891 257 A CB 0.316 19.324 19.000 0.013 0.000 1.061 257 A HN 0.817 nan 8.150 nan 0.000 0.478 258 G N -0.410 108.401 108.800 0.018 0.000 2.238 258 G HA2 0.438 4.335 3.960 -0.106 0.000 0.276 258 G HA3 0.438 4.335 3.960 -0.106 0.000 0.276 258 G C -0.791 174.107 174.900 -0.004 0.000 1.744 258 G CA -0.114 44.990 45.100 0.008 0.000 0.912 258 G HN 1.227 nan 8.290 nan 0.000 0.744 259 V N 1.862 121.766 119.914 -0.016 0.000 2.901 259 V HA 0.517 4.573 4.120 -0.106 0.000 0.307 259 V C 0.599 176.664 176.094 -0.047 0.000 1.084 259 V CA 0.379 62.651 62.300 -0.046 0.000 1.184 259 V CB 0.486 32.279 31.823 -0.050 0.000 0.941 259 V HN 0.776 nan 8.190 nan 0.000 0.493 260 R N 5.357 125.814 120.500 -0.072 0.000 2.686 260 R HA 0.705 4.981 4.340 -0.106 0.000 0.286 260 R C -1.102 175.152 176.300 -0.078 0.000 0.969 260 R CA -0.758 55.306 56.100 -0.059 0.000 0.898 260 R CB 2.133 32.404 30.300 -0.049 0.000 1.183 260 R HN 0.692 nan 8.270 nan 0.000 0.456 261 R N 1.280 121.746 120.500 -0.056 0.000 2.532 261 R HA 0.481 4.758 4.340 -0.106 0.000 0.297 261 R C -1.494 174.783 176.300 -0.039 0.000 0.984 261 R CA -0.847 55.219 56.100 -0.057 0.000 0.884 261 R CB 2.588 32.858 30.300 -0.049 0.000 1.182 261 R HN 0.274 nan 8.270 nan 0.000 0.442 262 V N 2.349 122.240 119.914 -0.038 0.000 2.588 262 V HA 0.553 4.610 4.120 -0.106 0.000 0.304 262 V C -0.936 175.151 176.094 -0.013 0.000 1.042 262 V CA -0.194 62.094 62.300 -0.020 0.000 0.877 262 V CB 2.395 34.210 31.823 -0.013 0.000 0.996 262 V HN 0.780 nan 8.190 nan 0.000 0.425 263 T N 6.170 120.721 114.554 -0.005 0.000 2.823 263 T HA 0.664 4.951 4.350 -0.106 0.000 0.279 263 T C -0.608 174.097 174.700 0.009 0.000 0.998 263 T CA -0.353 61.748 62.100 0.002 0.000 0.994 263 T CB 1.443 70.311 68.868 -0.000 0.000 0.960 263 T HN 1.046 nan 8.240 nan 0.000 0.448 264 V N 1.060 120.984 119.914 0.016 0.000 2.531 264 V HA 0.647 4.704 4.120 -0.106 0.000 0.301 264 V C -0.637 175.468 176.094 0.019 0.000 1.034 264 V CA -1.185 61.126 62.300 0.018 0.000 0.865 264 V CB 1.434 33.270 31.823 0.022 0.000 0.995 264 V HN 0.711 nan 8.190 nan 0.000 0.424 265 K N 3.436 123.844 120.400 0.014 0.000 2.234 265 K HA 0.858 5.115 4.320 -0.106 0.000 0.277 265 K C -0.219 176.389 176.600 0.014 0.000 1.038 265 K CA -0.017 56.279 56.287 0.014 0.000 0.888 265 K CB 1.777 34.283 32.500 0.010 0.000 1.091 265 K HN 1.142 nan 8.250 nan 0.000 0.467 266 A N 4.009 126.838 122.820 0.015 0.000 2.606 266 A HA 0.524 4.781 4.320 -0.106 0.000 0.293 266 A C -2.846 174.746 177.584 0.013 0.000 1.082 266 A CA -1.678 50.366 52.037 0.012 0.000 0.685 266 A CB 1.100 20.105 19.000 0.008 0.000 1.284 266 A HN 0.392 nan 8.150 nan 0.000 0.408 267 P HA 0.380 nan 4.420 nan 0.000 0.258 267 P C -0.265 177.043 177.300 0.013 0.000 1.187 267 P CA 0.934 64.042 63.100 0.013 0.000 0.767 267 P CB 0.605 32.313 31.700 0.014 0.000 0.770 268 A N 3.307 126.138 122.820 0.018 0.000 2.583 268 A HA 0.337 4.593 4.320 -0.106 0.000 0.292 268 A C 0.804 178.404 177.584 0.027 0.000 1.045 268 A CA -0.597 51.454 52.037 0.023 0.000 0.672 268 A CB 0.623 19.641 19.000 0.031 0.000 1.283 268 A HN 0.447 nan 8.150 nan 0.000 0.419 269 E N 0.161 120.379 120.200 0.031 0.000 2.190 269 E HA 0.282 4.569 4.350 -0.106 0.000 0.191 269 E C 0.122 176.741 176.600 0.032 0.000 0.978 269 E CA 0.427 56.844 56.400 0.028 0.000 0.839 269 E CB 0.038 29.754 29.700 0.026 0.000 0.787 269 E HN 0.495 nan 8.360 nan 0.000 0.473 270 L N 0.960 122.211 121.223 0.047 0.000 2.371 270 L HA 0.506 4.783 4.340 -0.106 0.000 0.262 270 L C -2.556 174.358 176.870 0.073 0.000 1.006 270 L CA -2.956 51.913 54.840 0.049 0.000 0.818 270 L CB 2.139 44.226 42.059 0.047 0.000 1.354 270 L HN -0.176 nan 8.230 nan 0.000 0.415 271 P HA 0.128 nan 4.420 nan 0.000 0.272 271 P C -1.730 175.636 177.300 0.110 0.000 1.230 271 P CA 0.001 63.141 63.100 0.067 0.000 0.788 271 P CB 0.382 32.096 31.700 0.022 0.000 0.949 272 Y N 1.025 121.330 120.300 0.009 0.000 2.442 272 Y HA 0.582 5.068 4.550 -0.107 0.000 0.344 272 Y C -1.196 174.709 175.900 0.009 0.000 0.976 272 Y CA -1.010 57.100 58.100 0.016 0.000 1.040 272 Y CB 1.611 40.088 38.460 0.028 0.000 1.228 272 Y HN 0.184 nan 8.280 nan 0.000 0.451 273 L N 4.688 125.845 121.223 -0.109 0.000 2.365 273 L HA 0.965 5.242 4.340 -0.106 0.000 0.273 273 L C -1.473 175.407 176.870 0.017 0.000 1.000 273 L CA -0.486 54.341 54.840 -0.023 0.000 0.819 273 L CB 1.729 43.742 42.059 -0.078 0.000 1.284 273 L HN 0.668 nan 8.230 nan 0.000 0.418 274 A N 4.909 127.753 122.820 0.040 0.000 2.427 274 A HA 0.796 5.053 4.320 -0.106 0.000 0.298 274 A C -2.003 175.515 177.584 -0.110 0.000 1.036 274 A CA -0.408 51.625 52.037 -0.007 0.000 0.701 274 A CB 1.191 20.178 19.000 -0.023 0.000 1.250 274 A HN 0.509 nan 8.150 nan 0.000 0.412 275 L N 1.606 122.753 121.223 -0.126 0.000 2.341 275 L HA 0.819 5.096 4.340 -0.106 0.000 0.278 275 L C 0.314 177.020 176.870 -0.273 0.000 1.005 275 L CA -0.165 54.508 54.840 -0.278 0.000 0.818 275 L CB 1.699 43.569 42.059 -0.314 0.000 1.259 275 L HN 0.911 nan 8.230 nan 0.000 0.418 276 A N 3.253 125.829 122.820 -0.408 0.000 2.359 276 A HA 0.736 4.993 4.320 -0.106 0.000 0.303 276 A C -1.570 175.811 177.584 -0.337 0.000 1.066 276 A CA -0.557 51.337 52.037 -0.239 0.000 0.730 276 A CB 0.985 19.836 19.000 -0.249 0.000 1.211 276 A HN 0.601 nan 8.150 nan 0.000 0.439 277 W N 1.362 122.618 121.300 -0.073 0.000 2.551 277 W HA 0.336 4.934 4.660 -0.102 0.000 0.330 277 W C -0.381 176.055 176.519 -0.139 0.000 1.063 277 W CA -0.359 56.931 57.345 -0.092 0.000 1.222 277 W CB 1.236 30.692 29.460 -0.006 0.000 1.349 277 W HN 0.796 nan 8.180 nan 0.000 0.536 278 H N 0.871 120.051 119.070 0.183 0.000 2.848 278 H HA 0.264 4.756 4.556 -0.106 0.000 0.317 278 H C 0.372 175.790 175.328 0.151 0.000 1.046 278 H CA 0.332 56.452 56.048 0.120 0.000 1.470 278 H CB 0.790 30.571 29.762 0.031 0.000 1.483 278 H HN 0.144 nan 8.280 nan 0.000 0.548 279 V N 1.389 121.463 119.914 0.267 0.000 3.130 279 V HA 0.569 4.626 4.120 -0.106 0.000 0.310 279 V C -2.739 173.463 176.094 0.180 0.000 1.158 279 V CA -2.964 59.430 62.300 0.156 0.000 1.029 279 V CB 1.998 33.853 31.823 0.054 0.000 1.057 279 V HN 0.485 nan 8.190 nan 0.000 0.436 280 P HA 0.474 nan 4.420 nan 0.000 0.268 280 P C -0.405 177.021 177.300 0.211 0.000 1.208 280 P CA 0.461 63.636 63.100 0.126 0.000 0.777 280 P CB 0.579 32.322 31.700 0.072 0.000 0.875 281 A N 2.387 125.312 122.820 0.174 0.000 2.347 281 A HA 0.622 4.879 4.320 -0.106 0.000 0.301 281 A C -0.283 177.346 177.584 0.075 0.000 1.163 281 A CA -0.942 51.194 52.037 0.165 0.000 0.860 281 A CB 0.551 19.622 19.000 0.118 0.000 1.367 281 A HN 0.466 nan 8.150 nan 0.000 0.461 282 I N 1.227 121.805 120.570 0.015 0.000 2.517 282 I HA 0.122 4.229 4.170 -0.106 0.000 0.285 282 I C 0.586 176.713 176.117 0.016 0.000 1.106 282 I CA 0.069 61.355 61.300 -0.024 0.000 1.402 282 I CB 0.884 38.834 38.000 -0.084 0.000 1.399 282 I HN 0.394 nan 8.210 nan 0.000 0.535 283 V N 4.116 124.050 119.914 0.033 0.000 2.735 283 V HA 0.073 4.130 4.120 -0.106 0.000 0.234 283 V C 0.509 176.628 176.094 0.042 0.000 1.121 283 V CA 0.614 62.936 62.300 0.036 0.000 1.160 283 V CB 0.016 31.862 31.823 0.038 0.000 0.908 283 V HN 0.707 nan 8.190 nan 0.000 0.495 284 D N 0.120 120.554 120.400 0.056 0.000 2.280 284 D HA 0.283 4.860 4.640 -0.106 0.000 0.236 284 D C 0.783 177.151 176.300 0.112 0.000 1.082 284 D CA -0.136 53.904 54.000 0.066 0.000 0.834 284 D CB 2.007 42.841 40.800 0.057 0.000 1.100 284 D HN 0.062 nan 8.370 nan 0.000 0.486 285 L N 2.782 124.079 121.223 0.124 0.000 2.191 285 L HA -0.131 4.146 4.340 -0.106 0.000 0.212 285 L C 1.406 178.409 176.870 0.221 0.000 1.103 285 L CA 0.907 55.876 54.840 0.216 0.000 0.769 285 L CB 0.042 42.208 42.059 0.178 0.000 0.908 285 L HN 0.370 nan 8.230 nan 0.000 0.438 286 D N -0.645 119.825 120.400 0.117 0.000 2.347 286 D HA -0.011 4.566 4.640 -0.106 0.000 0.213 286 D C 1.285 177.628 176.300 0.072 0.000 0.985 286 D CA 0.703 54.740 54.000 0.063 0.000 0.879 286 D CB 0.373 41.190 40.800 0.028 0.000 0.919 286 D HN 0.335 nan 8.370 nan 0.000 0.526 287 K N -0.610 119.861 120.400 0.117 0.000 3.862 287 K HA 0.279 4.536 4.320 -0.106 0.000 0.243 287 K C 0.443 177.163 176.600 0.200 0.000 1.020 287 K CA -0.340 56.015 56.287 0.113 0.000 1.799 287 K CB 0.463 33.008 32.500 0.075 0.000 2.987 287 K HN -0.346 nan 8.250 nan 0.000 0.818 288 S N 1.328 117.116 115.700 0.147 0.000 3.581 288 S HA -0.150 4.257 4.470 -0.106 0.000 0.354 288 S C 0.807 175.536 174.600 0.214 0.000 1.059 288 S CA 0.441 58.725 58.200 0.140 0.000 1.060 288 S CB -1.068 62.177 63.200 0.075 0.000 0.908 288 S HN 0.356 nan 8.310 nan 0.000 0.475 289 R N 1.519 122.125 120.500 0.176 0.000 2.117 289 R HA -0.123 4.154 4.340 -0.106 0.000 0.243 289 R C 1.679 178.054 176.300 0.126 0.000 1.143 289 R CA 1.723 57.921 56.100 0.164 0.000 0.968 289 R CB -0.702 29.639 30.300 0.068 0.000 0.863 289 R HN 0.657 nan 8.270 nan 0.000 0.444 290 D N 0.384 120.827 120.400 0.071 0.000 2.117 290 D HA -0.099 4.478 4.640 -0.106 0.000 0.197 290 D C 1.754 178.064 176.300 0.016 0.000 0.987 290 D CA 1.422 55.434 54.000 0.020 0.000 0.829 290 D CB -0.006 40.795 40.800 0.001 0.000 0.961 290 D HN 0.204 nan 8.370 nan 0.000 0.460 291 A N 0.586 123.437 122.820 0.052 0.000 1.898 291 A HA -0.175 4.082 4.320 -0.106 0.000 0.216 291 A C 1.998 179.644 177.584 0.103 0.000 1.181 291 A CA 0.975 53.068 52.037 0.093 0.000 0.620 291 A CB -0.997 18.043 19.000 0.067 0.000 0.819 291 A HN 0.171 nan 8.150 nan 0.000 0.442 292 Y N 0.108 120.463 120.300 0.092 0.000 2.224 292 Y HA -0.134 4.403 4.550 -0.022 0.000 0.289 292 Y C 2.915 178.818 175.900 0.006 0.000 1.146 292 Y CA 0.942 59.048 58.100 0.010 0.000 1.182 292 Y CB -0.614 37.793 38.460 -0.087 0.000 0.983 292 Y HN 0.330 nan 8.280 nan 0.000 0.524 293 A N -0.078 122.822 122.820 0.133 0.000 1.933 293 A HA -0.158 4.098 4.320 -0.106 0.000 0.218 293 A C 2.201 179.783 177.584 -0.002 0.000 1.175 293 A CA 1.622 53.682 52.037 0.038 0.000 0.628 293 A CB -1.084 17.908 19.000 -0.012 0.000 0.814 293 A HN 0.480 nan 8.150 nan 0.000 0.444 294 L N -1.007 120.178 121.223 -0.063 0.000 2.141 294 L HA -0.152 4.125 4.340 -0.106 0.000 0.209 294 L C 2.520 179.459 176.870 0.116 0.000 1.094 294 L CA 1.585 56.319 54.840 -0.177 0.000 0.763 294 L CB -0.366 41.314 42.059 -0.632 0.000 0.908 294 L HN 0.537 nan 8.230 nan 0.000 0.437 295 E N 0.816 121.187 120.200 0.285 0.000 2.072 295 E HA -0.213 4.074 4.350 -0.106 0.000 0.191 295 E C 2.044 178.790 176.600 0.243 0.000 0.985 295 E CA 1.319 57.961 56.400 0.403 0.000 0.801 295 E CB -0.025 29.875 29.700 0.334 0.000 0.750 295 E HN 0.332 nan 8.360 nan 0.000 0.452 296 I N 0.624 121.291 120.570 0.161 0.000 2.353 296 I HA -0.183 3.924 4.170 -0.106 0.000 0.248 296 I C 2.241 178.439 176.117 0.134 0.000 1.119 296 I CA 0.625 61.998 61.300 0.121 0.000 1.417 296 I CB -0.267 37.774 38.000 0.069 0.000 1.078 296 I HN 0.270 nan 8.210 nan 0.000 0.421 297 L N 0.375 121.674 121.223 0.126 0.000 1.990 297 L HA -0.297 3.980 4.340 -0.106 0.000 0.213 297 L C 2.635 179.664 176.870 0.265 0.000 1.072 297 L CA 2.158 57.074 54.840 0.127 0.000 0.755 297 L CB -0.548 41.510 42.059 -0.002 0.000 0.889 297 L HN 0.312 nan 8.230 nan 0.000 0.432 298 A N -0.530 122.521 122.820 0.384 0.000 1.933 298 A HA -0.179 4.077 4.320 -0.106 0.000 0.218 298 A C 2.378 180.071 177.584 0.182 0.000 1.175 298 A CA 1.759 53.953 52.037 0.262 0.000 0.628 298 A CB -0.674 18.397 19.000 0.118 0.000 0.814 298 A HN 0.576 nan 8.150 nan 0.000 0.444 299 A N -0.702 122.235 122.820 0.195 0.000 1.968 299 A HA 0.088 4.345 4.320 -0.106 0.000 0.217 299 A C 2.165 179.897 177.584 0.246 0.000 1.169 299 A CA 1.481 53.641 52.037 0.205 0.000 0.638 299 A CB -0.760 18.353 19.000 0.188 0.000 0.812 299 A HN 0.360 nan 8.150 nan 0.000 0.446 300 V N 0.114 120.150 119.914 0.204 0.000 2.407 300 V HA -0.251 3.806 4.120 -0.106 0.000 0.248 300 V C 2.487 178.666 176.094 0.142 0.000 1.055 300 V CA 1.951 64.368 62.300 0.195 0.000 1.049 300 V CB -0.665 31.233 31.823 0.126 0.000 0.662 300 V HN 0.569 nan 8.190 nan 0.000 0.455 301 L N -0.672 120.628 121.223 0.127 0.000 2.131 301 L HA -0.004 4.272 4.340 -0.106 0.000 0.206 301 L C 1.775 178.663 176.870 0.029 0.000 1.087 301 L CA 1.748 56.637 54.840 0.082 0.000 0.767 301 L CB -0.061 42.077 42.059 0.132 0.000 0.917 301 L HN 0.407 nan 8.230 nan 0.000 0.441 302 D N -2.077 118.352 120.400 0.048 0.000 2.475 302 D HA 0.049 4.626 4.640 -0.106 0.000 0.306 302 D C 1.672 178.007 176.300 0.059 0.000 1.304 302 D CA 0.510 54.519 54.000 0.014 0.000 0.862 302 D CB 0.326 41.141 40.800 0.024 0.000 1.306 302 D HN 0.016 nan 8.370 nan 0.000 0.494 303 G N 0.058 108.959 108.800 0.168 0.000 2.501 303 G HA2 0.068 3.964 3.960 -0.106 0.000 0.220 303 G HA3 0.068 3.964 3.960 -0.106 0.000 0.220 303 G C 0.347 175.460 174.900 0.354 0.000 1.114 303 G CA 1.641 46.907 45.100 0.277 0.000 0.757 303 G HN 0.430 nan 8.290 nan 0.000 0.559 304 Y N -2.131 118.199 120.300 0.050 0.000 2.779 304 Y HA 0.440 4.931 4.550 -0.099 0.000 0.340 304 Y C -1.880 174.043 175.900 0.038 0.000 1.252 304 Y CA -2.689 55.439 58.100 0.047 0.000 1.072 304 Y CB 0.081 38.573 38.460 0.053 0.000 1.343 304 Y HN 0.029 nan 8.280 nan 0.000 0.450 305 D N 0.434 120.875 120.400 0.070 0.000 2.470 305 D HA 0.482 5.058 4.640 -0.106 0.000 0.226 305 D C 0.942 177.203 176.300 -0.064 0.000 1.196 305 D CA 0.469 54.455 54.000 -0.024 0.000 0.979 305 D CB 0.420 41.254 40.800 0.056 0.000 1.059 305 D HN 1.266 nan 8.370 nan 0.000 0.515 306 G N 0.487 109.096 108.800 -0.318 0.000 2.902 306 G HA2 0.090 3.986 3.960 -0.106 0.000 0.215 306 G HA3 0.090 3.986 3.960 -0.106 0.000 0.215 306 G C 0.463 174.986 174.900 -0.628 0.000 0.976 306 G CA -0.238 44.686 45.100 -0.294 0.000 0.794 306 G HN 0.780 nan 8.290 nan 0.000 0.557 307 A N 0.912 123.086 122.820 -1.077 0.000 2.448 307 A HA 0.580 4.837 4.320 -0.106 0.000 0.239 307 A C 1.734 179.160 177.584 -0.263 0.000 1.080 307 A CA 0.724 52.341 52.037 -0.700 0.000 0.779 307 A CB 0.241 18.925 19.000 -0.527 0.000 1.026 307 A HN 0.316 nan 8.150 nan 0.000 0.499 308 R N 0.838 121.266 120.500 -0.120 0.000 2.105 308 R HA -0.165 4.112 4.340 -0.106 0.000 0.239 308 R C 1.889 178.157 176.300 -0.053 0.000 1.135 308 R CA 1.910 57.976 56.100 -0.056 0.000 0.967 308 R CB -0.519 29.774 30.300 -0.011 0.000 0.861 308 R HN 0.839 nan 8.270 nan 0.000 0.442 309 M N 0.077 119.647 119.600 -0.050 0.000 2.098 309 M HA -0.115 4.302 4.480 -0.106 0.000 0.262 309 M C 2.627 178.901 176.300 -0.043 0.000 1.072 309 M CA 1.981 57.263 55.300 -0.031 0.000 1.133 309 M CB -0.478 32.116 32.600 -0.010 0.000 1.344 309 M HN 0.177 nan 8.290 nan 0.000 0.414 310 T N 0.283 114.800 114.554 -0.063 0.000 2.720 310 T HA -0.227 4.059 4.350 -0.106 0.000 0.268 310 T C 1.808 176.475 174.700 -0.054 0.000 1.037 310 T CA 1.929 63.994 62.100 -0.057 0.000 1.144 310 T CB -0.233 68.591 68.868 -0.072 0.000 0.864 310 T HN 0.439 nan 8.240 nan 0.000 0.444 311 R N -0.084 120.374 120.500 -0.071 0.000 2.075 311 R HA -0.028 4.249 4.340 -0.106 0.000 0.232 311 R C 2.496 178.771 176.300 -0.042 0.000 1.126 311 R CA 1.793 57.859 56.100 -0.056 0.000 0.963 311 R CB -0.216 30.045 30.300 -0.065 0.000 0.858 311 R HN 0.508 nan 8.270 nan 0.000 0.435 312 Q N -0.419 119.354 119.800 -0.045 0.000 2.349 312 Q HA 0.135 4.412 4.340 -0.106 0.000 0.209 312 Q C 1.955 177.922 176.000 -0.055 0.000 0.920 312 Q CA 0.688 56.462 55.803 -0.047 0.000 0.901 312 Q CB 0.526 29.237 28.738 -0.045 0.000 1.021 312 Q HN 0.358 nan 8.270 nan 0.000 0.519 313 L N -1.051 120.148 121.223 -0.040 0.000 2.467 313 L HA 0.077 4.354 4.340 -0.106 0.000 0.213 313 L C 1.925 178.794 176.870 -0.002 0.000 1.053 313 L CA 0.188 55.012 54.840 -0.027 0.000 0.847 313 L CB 0.279 42.333 42.059 -0.009 0.000 1.075 313 L HN -0.017 nan 8.230 nan 0.000 0.479 314 V N -0.268 119.641 119.914 -0.009 0.000 2.599 314 V HA -0.043 4.014 4.120 -0.106 0.000 0.245 314 V C 1.644 177.736 176.094 -0.003 0.000 1.046 314 V CA 1.239 63.537 62.300 -0.003 0.000 1.065 314 V CB -0.202 31.615 31.823 -0.010 0.000 0.703 314 V HN 0.313 nan 8.190 nan 0.000 0.464 315 R N -0.529 119.964 120.500 -0.013 0.000 2.613 315 R HA 0.377 4.654 4.340 -0.106 0.000 0.361 315 R C 0.966 177.257 176.300 -0.015 0.000 1.072 315 R CA 0.452 56.545 56.100 -0.011 0.000 1.089 315 R CB 0.852 31.143 30.300 -0.015 0.000 1.343 315 R HN 0.493 nan 8.270 nan 0.000 0.571 316 G N 0.535 109.322 108.800 -0.021 0.000 2.477 316 G HA2 -0.106 3.791 3.960 -0.106 0.000 0.197 316 G HA3 -0.106 3.791 3.960 -0.106 0.000 0.197 316 G C 0.638 175.517 174.900 -0.035 0.000 1.860 316 G CA -0.197 44.883 45.100 -0.033 0.000 0.714 316 G HN 0.317 nan 8.290 nan 0.000 0.782 317 N N 0.496 119.149 118.700 -0.079 0.000 2.515 317 N HA 0.017 4.694 4.740 -0.106 0.000 0.185 317 N C 0.633 176.180 175.510 0.062 0.000 1.109 317 N CA 0.814 53.811 53.050 -0.090 0.000 0.903 317 N CB -0.201 38.051 38.487 -0.393 0.000 0.969 317 N HN 0.549 nan 8.380 nan 0.000 0.450 318 K N -1.054 119.374 120.400 0.047 0.000 3.088 318 K HA -0.251 4.005 4.320 -0.106 0.000 0.273 318 K C -0.034 176.663 176.600 0.162 0.000 1.111 318 K CA 0.957 57.293 56.287 0.082 0.000 0.803 318 K CB -2.165 30.372 32.500 0.061 0.000 1.226 318 K HN 0.591 nan 8.250 nan 0.000 0.485 319 H N -0.983 118.079 119.070 -0.013 0.000 2.524 319 H HA 0.112 4.604 4.556 -0.105 0.000 0.282 319 H C 0.907 176.221 175.328 -0.023 0.000 1.016 319 H CA 0.524 56.563 56.048 -0.015 0.000 1.270 319 H CB 0.343 30.097 29.762 -0.013 0.000 1.394 319 H HN 0.411 nan 8.280 nan 0.000 0.568 320 A N 0.253 123.128 122.820 0.091 0.000 2.386 320 A HA 0.370 4.626 4.320 -0.106 0.000 0.311 320 A C 0.831 178.418 177.584 0.006 0.000 1.068 320 A CA -0.567 51.484 52.037 0.023 0.000 0.743 320 A CB 1.642 20.646 19.000 0.006 0.000 1.258 320 A HN 0.027 nan 8.150 nan 0.000 0.429 321 V N 1.136 121.042 119.914 -0.013 0.000 2.488 321 V HA 0.038 4.094 4.120 -0.106 0.000 0.246 321 V C 1.112 177.200 176.094 -0.010 0.000 1.046 321 V CA 2.106 64.401 62.300 -0.008 0.000 1.053 321 V CB -0.266 31.552 31.823 -0.008 0.000 0.679 321 V HN 1.080 nan 8.190 nan 0.000 0.458 322 S N -1.306 114.377 115.700 -0.029 0.000 2.579 322 S HA 0.866 5.273 4.470 -0.106 0.000 0.272 322 S C -0.867 173.704 174.600 -0.049 0.000 1.141 322 S CA -0.101 58.084 58.200 -0.025 0.000 0.843 322 S CB 2.555 65.753 63.200 -0.003 0.000 1.122 322 S HN 0.767 nan 8.310 nan 0.000 0.468 323 A N 0.241 123.044 122.820 -0.027 0.000 2.547 323 A HA 0.982 5.238 4.320 -0.106 0.000 0.297 323 A C -0.192 177.392 177.584 0.001 0.000 1.056 323 A CA -0.297 51.725 52.037 -0.025 0.000 0.688 323 A CB 1.217 20.207 19.000 -0.017 0.000 1.282 323 A HN 1.997 nan 8.150 nan 0.000 0.400 324 G N -0.779 108.032 108.800 0.018 0.000 2.684 324 G HA2 0.889 4.786 3.960 -0.106 0.000 0.290 324 G HA3 0.889 4.786 3.960 -0.106 0.000 0.290 324 G C -0.993 173.927 174.900 0.032 0.000 1.425 324 G CA 0.168 45.288 45.100 0.033 0.000 0.822 324 G HN 2.031 nan 8.290 nan 0.000 0.482 325 A N -0.892 121.932 122.820 0.008 0.000 2.422 325 A HA 0.965 5.222 4.320 -0.106 0.000 0.302 325 A C -0.156 177.365 177.584 -0.105 0.000 1.041 325 A CA -0.076 51.915 52.037 -0.075 0.000 0.708 325 A CB 1.976 20.935 19.000 -0.069 0.000 1.257 325 A HN 2.017 nan 8.150 nan 0.000 0.414 326 G N -0.226 108.455 108.800 -0.199 0.000 2.638 326 G HA2 0.612 4.509 3.960 -0.106 0.000 0.302 326 G HA3 0.612 4.509 3.960 -0.106 0.000 0.302 326 G C -1.933 172.899 174.900 -0.114 0.000 1.365 326 G CA -0.452 44.596 45.100 -0.086 0.000 0.987 326 G HN 1.402 nan 8.290 nan 0.000 0.495 327 Y N 1.570 121.790 120.300 -0.134 0.000 2.348 327 Y HA 0.485 4.967 4.550 -0.114 0.000 0.321 327 Y C -2.013 173.913 175.900 0.044 0.000 1.163 327 Y CA -1.336 56.742 58.100 -0.037 0.000 1.070 327 Y CB 2.354 40.825 38.460 0.019 0.000 1.250 327 Y HN 0.490 nan 8.280 nan 0.000 0.425 328 D N 3.360 123.475 120.400 -0.475 0.000 2.441 328 D HA 0.234 4.811 4.640 -0.106 0.000 0.231 328 D C 0.534 176.403 176.300 -0.718 0.000 1.073 328 D CA 0.204 53.932 54.000 -0.452 0.000 0.850 328 D CB 1.590 42.281 40.800 -0.182 0.000 1.062 328 D HN 0.604 nan 8.370 nan 0.000 0.524 329 S N 2.930 118.184 115.700 -0.745 0.000 2.496 329 S HA 0.025 4.432 4.470 -0.106 0.000 0.224 329 S C 0.720 175.199 174.600 -0.201 0.000 0.996 329 S CA -0.094 57.793 58.200 -0.522 0.000 0.927 329 S CB 0.356 63.440 63.200 -0.193 0.000 0.774 329 S HN 0.308 nan 8.310 nan 0.000 0.524 330 L N 2.891 124.000 121.223 -0.190 0.000 2.305 330 L HA 0.685 4.962 4.340 -0.106 0.000 0.284 330 L C -0.383 176.451 176.870 -0.060 0.000 1.013 330 L CA 0.033 54.794 54.840 -0.131 0.000 0.819 330 L CB 1.466 43.386 42.059 -0.231 0.000 1.227 330 L HN 0.433 nan 8.230 nan 0.000 0.417 331 S N 2.821 118.527 115.700 0.009 0.000 2.567 331 S HA 0.477 4.884 4.470 -0.106 0.000 0.270 331 S C 0.557 175.229 174.600 0.119 0.000 1.152 331 S CA -0.934 57.325 58.200 0.099 0.000 0.835 331 S CB 1.418 64.730 63.200 0.186 0.000 1.115 331 S HN 0.534 nan 8.310 nan 0.000 0.459 332 R N 0.585 121.190 120.500 0.176 0.000 2.092 332 R HA 0.019 4.295 4.340 -0.106 0.000 0.231 332 R C 2.082 178.431 176.300 0.083 0.000 1.119 332 R CA 1.771 57.949 56.100 0.129 0.000 0.970 332 R CB -0.815 29.577 30.300 0.154 0.000 0.864 332 R HN 0.870 nan 8.270 nan 0.000 0.440 333 G N -0.762 108.076 108.800 0.065 0.000 2.623 333 G HA2 -0.159 3.738 3.960 -0.106 0.000 0.214 333 G HA3 -0.159 3.738 3.960 -0.106 0.000 0.214 333 G C 0.088 174.938 174.900 -0.083 0.000 1.138 333 G CA -0.026 45.001 45.100 -0.122 0.000 0.794 333 G HN 0.403 nan 8.290 nan 0.000 0.535 334 Q N -0.698 119.104 119.800 0.003 0.000 2.468 334 Q HA -0.148 4.129 4.340 -0.106 0.000 0.289 334 Q C -0.591 175.419 176.000 0.017 0.000 1.299 334 Q CA 0.479 56.296 55.803 0.024 0.000 0.838 334 Q CB -1.011 27.742 28.738 0.025 0.000 1.195 334 Q HN 0.427 nan 8.270 nan 0.000 0.456 335 Q N -0.119 119.683 119.800 0.004 0.000 2.271 335 Q HA 0.562 4.839 4.340 -0.106 0.000 0.258 335 Q C 0.349 176.491 176.000 0.236 0.000 0.936 335 Q CA 0.084 55.937 55.803 0.083 0.000 0.909 335 Q CB 1.928 30.629 28.738 -0.061 0.000 1.253 335 Q HN 0.336 nan 8.270 nan 0.000 0.440 336 G N 2.162 111.142 108.800 0.299 0.000 2.343 336 G HA2 0.608 4.505 3.960 -0.106 0.000 0.319 336 G HA3 0.608 4.505 3.960 -0.106 0.000 0.319 336 G C -0.875 174.285 174.900 0.433 0.000 1.126 336 G CA -0.388 44.963 45.100 0.418 0.000 0.889 336 G HN 0.468 nan 8.290 nan 0.000 0.457 337 L N 2.735 124.229 121.223 0.451 0.000 2.415 337 L HA 0.371 4.648 4.340 -0.106 0.000 0.268 337 L C -1.217 175.908 176.870 0.426 0.000 0.984 337 L CA -0.791 54.247 54.840 0.331 0.000 0.853 337 L CB 1.772 43.964 42.059 0.221 0.000 1.215 337 L HN 0.551 nan 8.230 nan 0.000 0.419 338 F N 5.485 125.591 119.950 0.259 0.000 2.424 338 F HA 0.488 4.948 4.527 -0.111 0.000 0.356 338 F C -0.123 175.846 175.800 0.281 0.000 1.110 338 F CA -0.154 57.985 58.000 0.232 0.000 1.161 338 F CB 0.657 39.680 39.000 0.037 0.000 1.115 338 F HN 0.226 nan 8.300 nan 0.000 0.507 339 I N 6.886 127.409 120.570 -0.077 0.000 2.433 339 I HA 0.295 4.401 4.170 -0.106 0.000 0.292 339 I C -1.235 174.881 176.117 -0.002 0.000 1.001 339 I CA -1.032 60.283 61.300 0.025 0.000 1.119 339 I CB 1.688 39.683 38.000 -0.009 0.000 1.289 339 I HN 0.327 nan 8.210 nan 0.000 0.438 340 L N 6.536 127.861 121.223 0.170 0.000 2.346 340 L HA 0.556 4.833 4.340 -0.106 0.000 0.276 340 L C -0.275 176.647 176.870 0.088 0.000 1.006 340 L CA -0.291 54.648 54.840 0.165 0.000 0.817 340 L CB 1.570 43.824 42.059 0.326 0.000 1.272 340 L HN 0.710 nan 8.230 nan 0.000 0.421 341 E N 1.867 122.105 120.200 0.064 0.000 2.433 341 E HA 0.903 5.189 4.350 -0.106 0.000 0.278 341 E C -0.896 175.655 176.600 -0.081 0.000 0.976 341 E CA -1.200 55.216 56.400 0.027 0.000 0.793 341 E CB 2.426 32.234 29.700 0.181 0.000 1.311 341 E HN 0.626 nan 8.360 nan 0.000 0.460 342 G N -0.259 108.364 108.800 -0.295 0.000 2.368 342 G HA2 0.415 4.312 3.960 -0.106 0.000 0.293 342 G HA3 0.415 4.312 3.960 -0.106 0.000 0.293 342 G C -1.747 172.835 174.900 -0.529 0.000 1.467 342 G CA -0.582 44.318 45.100 -0.335 0.000 0.804 342 G HN 0.417 nan 8.290 nan 0.000 0.535 343 V N 2.467 122.178 119.914 -0.338 0.000 2.409 343 V HA 0.577 4.633 4.120 -0.106 0.000 0.291 343 V C -1.947 174.079 176.094 -0.114 0.000 1.020 343 V CA -1.503 60.654 62.300 -0.239 0.000 0.848 343 V CB 1.958 33.698 31.823 -0.138 0.000 0.990 343 V HN 0.659 nan 8.190 nan 0.000 0.430 344 P HA 0.214 nan 4.420 nan 0.000 0.275 344 P C -0.120 177.156 177.300 -0.040 0.000 1.228 344 P CA -0.029 63.039 63.100 -0.053 0.000 0.786 344 P CB 0.943 32.612 31.700 -0.053 0.000 0.927 345 S N 1.451 117.130 115.700 -0.035 0.000 2.614 345 S HA 0.130 4.537 4.470 -0.106 0.000 0.265 345 S C 0.271 174.846 174.600 -0.042 0.000 1.303 345 S CA -0.611 57.572 58.200 -0.028 0.000 1.000 345 S CB 0.041 63.232 63.200 -0.016 0.000 0.935 345 S HN 0.289 nan 8.310 nan 0.000 0.551 346 K N 1.135 121.518 120.400 -0.029 0.000 2.491 346 K HA 0.231 4.488 4.320 -0.106 0.000 0.279 346 K C 1.202 177.774 176.600 -0.047 0.000 1.026 346 K CA 0.830 57.099 56.287 -0.030 0.000 1.070 346 K CB -0.210 32.280 32.500 -0.018 0.000 0.887 346 K HN 0.946 nan 8.250 nan 0.000 0.481 347 G N 1.168 109.938 108.800 -0.049 0.000 2.159 347 G HA2 -0.239 3.658 3.960 -0.106 0.000 0.256 347 G HA3 -0.239 3.658 3.960 -0.106 0.000 0.256 347 G C -0.057 174.784 174.900 -0.099 0.000 0.977 347 G CA -0.053 45.011 45.100 -0.061 0.000 0.652 347 G HN 0.417 nan 8.290 nan 0.000 0.531 348 V N 2.116 121.962 119.914 -0.114 0.000 2.398 348 V HA 0.651 4.707 4.120 -0.106 0.000 0.286 348 V C 1.055 177.093 176.094 -0.092 0.000 1.026 348 V CA -0.084 62.121 62.300 -0.157 0.000 0.868 348 V CB 1.362 33.054 31.823 -0.218 0.000 0.982 348 V HN 0.687 nan 8.190 nan 0.000 0.443 349 T N 1.813 116.321 114.554 -0.077 0.000 2.868 349 T HA 0.288 4.575 4.350 -0.106 0.000 0.292 349 T C 1.080 175.758 174.700 -0.037 0.000 1.028 349 T CA -0.274 61.799 62.100 -0.046 0.000 1.059 349 T CB 0.952 69.800 68.868 -0.034 0.000 0.991 349 T HN 0.326 nan 8.240 nan 0.000 0.531 350 I N 1.578 122.132 120.570 -0.026 0.000 2.493 350 I HA 0.040 4.147 4.170 -0.106 0.000 0.254 350 I C 2.543 178.650 176.117 -0.016 0.000 1.160 350 I CA 1.427 62.713 61.300 -0.023 0.000 1.445 350 I CB -0.919 37.071 38.000 -0.017 0.000 1.086 350 I HN 0.910 nan 8.210 nan 0.000 0.433 351 A N -0.625 122.187 122.820 -0.014 0.000 1.929 351 A HA -0.232 4.024 4.320 -0.106 0.000 0.216 351 A C 2.240 179.826 177.584 0.004 0.000 1.176 351 A CA 1.636 53.669 52.037 -0.006 0.000 0.628 351 A CB -0.619 18.377 19.000 -0.006 0.000 0.816 351 A HN 0.469 nan 8.150 nan 0.000 0.444 352 Q N -0.100 119.700 119.800 -0.000 0.000 2.119 352 Q HA -0.030 4.247 4.340 -0.106 0.000 0.201 352 Q C 1.848 177.874 176.000 0.044 0.000 0.972 352 Q CA 1.467 57.281 55.803 0.018 0.000 0.847 352 Q CB -0.487 28.243 28.738 -0.013 0.000 0.903 352 Q HN 0.599 nan 8.270 nan 0.000 0.433 353 L N 0.172 121.408 121.223 0.021 0.000 2.093 353 L HA -0.155 4.122 4.340 -0.106 0.000 0.208 353 L C 2.303 179.192 176.870 0.032 0.000 1.085 353 L CA 1.899 56.757 54.840 0.031 0.000 0.755 353 L CB -0.353 41.702 42.059 -0.007 0.000 0.904 353 L HN 0.479 nan 8.230 nan 0.000 0.435 354 E N -0.750 119.462 120.200 0.019 0.000 2.051 354 E HA -0.226 4.060 4.350 -0.106 0.000 0.192 354 E C 1.841 178.471 176.600 0.050 0.000 0.991 354 E CA 1.862 58.277 56.400 0.024 0.000 0.799 354 E CB 0.076 29.778 29.700 0.003 0.000 0.748 354 E HN 0.402 nan 8.360 nan 0.000 0.449 355 T N 1.351 115.933 114.554 0.047 0.000 2.720 355 T HA -0.163 4.124 4.350 -0.106 0.000 0.268 355 T C 1.234 175.970 174.700 0.061 0.000 1.037 355 T CA 1.540 63.672 62.100 0.054 0.000 1.144 355 T CB -0.340 68.556 68.868 0.048 0.000 0.864 355 T HN 0.235 nan 8.240 nan 0.000 0.444 356 D N 0.989 121.430 120.400 0.068 0.000 2.117 356 D HA -0.003 4.574 4.640 -0.106 0.000 0.197 356 D C 2.181 178.515 176.300 0.056 0.000 0.987 356 D CA 0.788 54.824 54.000 0.060 0.000 0.829 356 D CB -0.348 40.503 40.800 0.086 0.000 0.961 356 D HN 0.334 nan 8.370 nan 0.000 0.460 357 L N 0.363 121.629 121.223 0.071 0.000 2.056 357 L HA -0.080 4.197 4.340 -0.106 0.000 0.207 357 L C 2.560 179.511 176.870 0.134 0.000 1.078 357 L CA 1.002 55.901 54.840 0.098 0.000 0.749 357 L CB -0.252 41.871 42.059 0.108 0.000 0.901 357 L HN -0.083 nan 8.230 nan 0.000 0.433 358 R N -0.007 120.579 120.500 0.144 0.000 2.148 358 R HA -0.052 4.225 4.340 -0.106 0.000 0.227 358 R C 2.409 178.757 176.300 0.079 0.000 1.103 358 R CA 1.006 57.204 56.100 0.164 0.000 0.983 358 R CB -0.376 30.031 30.300 0.179 0.000 0.874 358 R HN 0.330 nan 8.270 nan 0.000 0.451 359 A N 1.139 123.992 122.820 0.056 0.000 1.933 359 A HA -0.172 4.085 4.320 -0.106 0.000 0.218 359 A C 1.995 179.585 177.584 0.010 0.000 1.175 359 A CA 1.025 53.077 52.037 0.025 0.000 0.628 359 A CB -0.207 18.803 19.000 0.017 0.000 0.814 359 A HN 0.174 nan 8.150 nan 0.000 0.444 360 Q N -0.377 119.436 119.800 0.022 0.000 2.135 360 Q HA -0.123 4.153 4.340 -0.106 0.000 0.204 360 Q C 2.261 178.255 176.000 -0.009 0.000 0.981 360 Q CA 1.591 57.402 55.803 0.014 0.000 0.856 360 Q CB -0.634 28.127 28.738 0.039 0.000 0.902 360 Q HN 0.499 nan 8.270 nan 0.000 0.425 361 V N 0.356 120.256 119.914 -0.022 0.000 2.407 361 V HA -0.180 3.877 4.120 -0.106 0.000 0.245 361 V C 2.471 178.500 176.094 -0.108 0.000 1.041 361 V CA 1.541 63.775 62.300 -0.110 0.000 1.040 361 V CB -0.381 31.328 31.823 -0.191 0.000 0.671 361 V HN 0.245 nan 8.190 nan 0.000 0.455 362 R N 0.106 120.571 120.500 -0.059 0.000 2.096 362 R HA -0.199 4.078 4.340 -0.106 0.000 0.235 362 R C 2.092 178.365 176.300 -0.045 0.000 1.127 362 R CA 1.915 57.986 56.100 -0.049 0.000 0.968 362 R CB -0.365 29.925 30.300 -0.017 0.000 0.861 362 R HN 0.589 nan 8.270 nan 0.000 0.440 363 D N 0.184 120.563 120.400 -0.035 0.000 2.097 363 D HA -0.147 4.430 4.640 -0.106 0.000 0.195 363 D C 1.728 178.006 176.300 -0.037 0.000 0.989 363 D CA 1.391 55.373 54.000 -0.030 0.000 0.827 363 D CB -0.003 40.784 40.800 -0.021 0.000 0.966 363 D HN 0.318 nan 8.370 nan 0.000 0.456 364 I N 0.285 120.825 120.570 -0.049 0.000 2.439 364 I HA -0.124 3.983 4.170 -0.106 0.000 0.251 364 I C 2.418 178.492 176.117 -0.071 0.000 1.139 364 I CA 0.819 62.086 61.300 -0.055 0.000 1.438 364 I CB -0.201 37.761 38.000 -0.063 0.000 1.085 364 I HN 0.014 nan 8.210 nan 0.000 0.427 365 A N 0.588 123.354 122.820 -0.089 0.000 2.015 365 A HA -0.057 4.200 4.320 -0.106 0.000 0.219 365 A C 2.426 179.971 177.584 -0.065 0.000 1.163 365 A CA 1.784 53.765 52.037 -0.093 0.000 0.646 365 A CB -0.480 18.453 19.000 -0.112 0.000 0.806 365 A HN 0.428 nan 8.150 nan 0.000 0.448 366 A N -0.681 122.109 122.820 -0.051 0.000 1.924 366 A HA 0.138 4.395 4.320 -0.106 0.000 0.211 366 A C 1.931 179.496 177.584 -0.032 0.000 1.198 366 A CA 1.250 53.265 52.037 -0.038 0.000 0.657 366 A CB -0.019 18.962 19.000 -0.030 0.000 0.852 366 A HN 0.419 nan 8.150 nan 0.000 0.454 367 K N -1.120 119.262 120.400 -0.031 0.000 2.373 367 K HA 0.370 4.627 4.320 -0.106 0.000 0.200 367 K C 0.954 177.539 176.600 -0.024 0.000 1.054 367 K CA 0.359 56.631 56.287 -0.024 0.000 1.065 367 K CB 0.638 33.127 32.500 -0.019 0.000 0.886 367 K HN 0.587 nan 8.250 nan 0.000 0.546 368 G N 1.540 110.321 108.800 -0.031 0.000 2.601 368 G HA2 -0.289 3.607 3.960 -0.106 0.000 0.252 368 G HA3 -0.289 3.607 3.960 -0.106 0.000 0.252 368 G C -0.268 174.621 174.900 -0.019 0.000 1.294 368 G CA -0.167 44.915 45.100 -0.030 0.000 0.912 368 G HN 0.331 nan 8.290 nan 0.000 0.574 369 V N -3.026 116.880 119.914 -0.013 0.000 3.001 369 V HA 0.941 4.997 4.120 -0.106 0.000 0.314 369 V C 0.642 176.735 176.094 -0.001 0.000 1.099 369 V CA 0.349 62.648 62.300 -0.001 0.000 0.989 369 V CB 1.492 33.321 31.823 0.008 0.000 1.040 369 V HN 2.195 nan 8.190 nan 0.000 0.434 370 T N -0.601 113.957 114.554 0.006 0.000 2.904 370 T HA 0.375 4.661 4.350 -0.106 0.000 0.290 370 T C 0.811 175.513 174.700 0.003 0.000 1.018 370 T CA -0.171 61.931 62.100 0.004 0.000 1.075 370 T CB 1.237 70.110 68.868 0.007 0.000 0.986 370 T HN 0.785 nan 8.240 nan 0.000 0.523 371 E N 1.440 121.639 120.200 -0.002 0.000 2.085 371 E HA -0.163 4.124 4.350 -0.106 0.000 0.194 371 E C 2.456 179.054 176.600 -0.003 0.000 0.994 371 E CA 1.638 58.035 56.400 -0.004 0.000 0.801 371 E CB -1.038 28.658 29.700 -0.007 0.000 0.743 371 E HN 0.864 nan 8.360 nan 0.000 0.453 372 A N 1.447 124.267 122.820 0.001 0.000 1.883 372 A HA -0.259 3.998 4.320 -0.106 0.000 0.217 372 A C 2.189 179.777 177.584 0.006 0.000 1.186 372 A CA 1.914 53.953 52.037 0.002 0.000 0.624 372 A CB -0.584 18.419 19.000 0.006 0.000 0.822 372 A HN 0.346 nan 8.150 nan 0.000 0.444 373 E N -0.681 119.530 120.200 0.018 0.000 2.058 373 E HA -0.223 4.064 4.350 -0.106 0.000 0.194 373 E C 1.913 178.527 176.600 0.025 0.000 0.997 373 E CA 1.440 57.862 56.400 0.037 0.000 0.801 373 E CB -0.242 29.488 29.700 0.050 0.000 0.746 373 E HN 0.414 nan 8.360 nan 0.000 0.450 374 L N 0.637 121.870 121.223 0.015 0.000 2.042 374 L HA -0.174 4.102 4.340 -0.106 0.000 0.210 374 L C 2.489 179.352 176.870 -0.011 0.000 1.076 374 L CA 2.099 56.944 54.840 0.008 0.000 0.749 374 L CB -0.757 41.303 42.059 0.002 0.000 0.893 374 L HN 0.104 nan 8.230 nan 0.000 0.432 375 S N -0.934 114.756 115.700 -0.017 0.000 2.382 375 S HA -0.180 4.227 4.470 -0.106 0.000 0.228 375 S C 2.151 176.722 174.600 -0.049 0.000 1.027 375 S CA 1.196 59.380 58.200 -0.027 0.000 0.991 375 S CB -0.186 63.001 63.200 -0.021 0.000 0.823 375 S HN 0.495 nan 8.310 nan 0.000 0.469 376 R N 0.114 120.576 120.500 -0.063 0.000 2.092 376 R HA -0.008 4.268 4.340 -0.106 0.000 0.231 376 R C 2.231 178.388 176.300 -0.238 0.000 1.119 376 R CA 1.402 57.424 56.100 -0.129 0.000 0.970 376 R CB -0.532 29.702 30.300 -0.110 0.000 0.864 376 R HN 0.331 nan 8.270 nan 0.000 0.440 377 V N 1.524 121.330 119.914 -0.179 0.000 2.270 377 V HA -0.254 3.803 4.120 -0.106 0.000 0.245 377 V C 2.093 178.132 176.094 -0.093 0.000 1.043 377 V CA 1.738 63.932 62.300 -0.176 0.000 1.014 377 V CB -0.423 31.403 31.823 0.005 0.000 0.645 377 V HN 0.265 nan 8.190 nan 0.000 0.447 378 K N 0.226 120.602 120.400 -0.041 0.000 2.074 378 K HA -0.226 4.031 4.320 -0.106 0.000 0.209 378 K C 2.510 179.104 176.600 -0.011 0.000 1.048 378 K CA 1.854 58.137 56.287 -0.006 0.000 0.926 378 K CB -0.440 32.056 32.500 -0.007 0.000 0.713 378 K HN 0.420 nan 8.250 nan 0.000 0.444 379 S N 0.640 116.308 115.700 -0.053 0.000 2.368 379 S HA -0.203 4.203 4.470 -0.106 0.000 0.225 379 S C 2.006 176.574 174.600 -0.052 0.000 1.030 379 S CA 1.390 59.559 58.200 -0.052 0.000 0.999 379 S CB -0.049 63.109 63.200 -0.070 0.000 0.844 379 S HN 0.228 nan 8.310 nan 0.000 0.459 380 Q N 0.414 120.147 119.800 -0.112 0.000 2.119 380 Q HA 0.063 4.340 4.340 -0.106 0.000 0.201 380 Q C 2.295 178.315 176.000 0.032 0.000 0.972 380 Q CA 1.768 57.527 55.803 -0.074 0.000 0.847 380 Q CB -0.245 28.369 28.738 -0.206 0.000 0.903 380 Q HN 0.588 nan 8.270 nan 0.000 0.433 381 M N -0.824 118.810 119.600 0.056 0.000 2.086 381 M HA -0.190 4.226 4.480 -0.106 0.000 0.261 381 M C 2.050 178.454 176.300 0.173 0.000 1.067 381 M CA 1.208 56.599 55.300 0.152 0.000 1.116 381 M CB -0.349 32.358 32.600 0.179 0.000 1.348 381 M HN 0.081 nan 8.290 nan 0.000 0.407 382 V N 0.534 120.517 119.914 0.114 0.000 2.392 382 V HA -0.271 3.786 4.120 -0.106 0.000 0.249 382 V C 2.606 178.706 176.094 0.011 0.000 1.059 382 V CA 1.998 64.325 62.300 0.044 0.000 1.051 382 V CB -1.219 30.615 31.823 0.018 0.000 0.658 382 V HN 0.537 nan 8.190 nan 0.000 0.455 383 A N 0.245 123.083 122.820 0.031 0.000 1.969 383 A HA -0.008 4.249 4.320 -0.106 0.000 0.218 383 A C 2.377 180.022 177.584 0.102 0.000 1.169 383 A CA 1.719 53.773 52.037 0.028 0.000 0.635 383 A CB -0.917 18.101 19.000 0.030 0.000 0.810 383 A HN 0.521 nan 8.150 nan 0.000 0.445 384 G N -0.182 108.714 108.800 0.160 0.000 2.396 384 G HA2 -0.197 3.699 3.960 -0.106 0.000 0.214 384 G HA3 -0.197 3.699 3.960 -0.106 0.000 0.214 384 G C 1.581 176.582 174.900 0.168 0.000 1.166 384 G CA 0.973 46.211 45.100 0.229 0.000 0.793 384 G HN 0.566 nan 8.290 nan 0.000 0.533 385 K N 0.581 121.038 120.400 0.095 0.000 2.218 385 K HA -0.061 4.196 4.320 -0.106 0.000 0.205 385 K C 2.155 178.727 176.600 -0.046 0.000 1.046 385 K CA 1.293 57.567 56.287 -0.021 0.000 0.933 385 K CB -0.134 32.184 32.500 -0.305 0.000 0.728 385 K HN 0.254 nan 8.250 nan 0.000 0.454 386 V N 0.468 120.369 119.914 -0.021 0.000 2.535 386 V HA -0.150 3.906 4.120 -0.106 0.000 0.246 386 V C 1.833 177.926 176.094 -0.002 0.000 1.045 386 V CA 0.996 63.269 62.300 -0.044 0.000 1.058 386 V CB -0.628 31.145 31.823 -0.084 0.000 0.689 386 V HN 0.223 nan 8.190 nan 0.000 0.461 387 Y N 2.033 122.324 120.300 -0.016 0.000 2.014 387 Y HA -0.354 4.130 4.550 -0.109 0.000 0.272 387 Y C 2.775 178.670 175.900 -0.009 0.000 1.164 387 Y CA 2.435 60.532 58.100 -0.005 0.000 1.114 387 Y CB -0.579 37.885 38.460 0.007 0.000 0.961 387 Y HN 0.520 nan 8.280 nan 0.000 0.489 388 E N -0.785 119.530 120.200 0.192 0.000 2.331 388 E HA -0.236 4.051 4.350 -0.106 0.000 0.199 388 E C 1.533 178.165 176.600 0.052 0.000 1.008 388 E CA 1.244 57.702 56.400 0.096 0.000 0.843 388 E CB -0.275 29.463 29.700 0.063 0.000 0.761 388 E HN 0.464 nan 8.360 nan 0.000 0.507 389 Q N 1.135 120.956 119.800 0.035 0.000 2.378 389 Q HA -0.095 4.181 4.340 -0.106 0.000 0.205 389 Q C 1.211 177.209 176.000 -0.003 0.000 0.954 389 Q CA 1.665 57.468 55.803 -0.001 0.000 0.901 389 Q CB 0.083 28.806 28.738 -0.024 0.000 0.981 389 Q HN 0.722 nan 8.270 nan 0.000 0.483 390 D N -1.078 119.330 120.400 0.015 0.000 2.327 390 D HA -0.028 4.548 4.640 -0.106 0.000 0.205 390 D C 0.556 176.870 176.300 0.022 0.000 0.989 390 D CA 0.079 54.086 54.000 0.010 0.000 0.873 390 D CB 0.152 40.956 40.800 0.007 0.000 0.955 390 D HN -0.101 nan 8.370 nan 0.000 0.515 391 S N -0.428 115.295 115.700 0.037 0.000 2.545 391 S HA 0.217 4.624 4.470 -0.106 0.000 0.275 391 S C 1.184 175.793 174.600 0.015 0.000 1.299 391 S CA -0.763 57.457 58.200 0.033 0.000 1.048 391 S CB 0.611 63.837 63.200 0.042 0.000 0.938 391 S HN 0.286 nan 8.310 nan 0.000 0.496 392 L N 3.870 125.102 121.223 0.016 0.000 2.056 392 L HA -0.063 4.213 4.340 -0.106 0.000 0.207 392 L C 2.519 179.395 176.870 0.009 0.000 1.078 392 L CA 1.056 55.902 54.840 0.010 0.000 0.749 392 L CB -0.427 41.645 42.059 0.022 0.000 0.901 392 L HN 0.684 nan 8.230 nan 0.000 0.433 393 M N 0.372 119.978 119.600 0.010 0.000 2.132 393 M HA -0.049 4.367 4.480 -0.106 0.000 0.263 393 M C 2.052 178.338 176.300 -0.024 0.000 1.065 393 M CA 1.868 57.157 55.300 -0.017 0.000 1.122 393 M CB -0.892 31.689 32.600 -0.032 0.000 1.365 393 M HN 0.131 nan 8.290 nan 0.000 0.411 394 G N -0.513 108.282 108.800 -0.009 0.000 2.491 394 G HA2 -0.278 3.618 3.960 -0.106 0.000 0.218 394 G HA3 -0.278 3.618 3.960 -0.106 0.000 0.218 394 G C 1.432 176.329 174.900 -0.005 0.000 1.180 394 G CA 1.050 46.150 45.100 -0.000 0.000 0.774 394 G HN 0.608 nan 8.290 nan 0.000 0.562 395 Q N 0.175 119.968 119.800 -0.011 0.000 2.084 395 Q HA -0.015 4.261 4.340 -0.106 0.000 0.202 395 Q C 3.034 179.007 176.000 -0.044 0.000 0.978 395 Q CA 1.257 57.041 55.803 -0.032 0.000 0.844 395 Q CB -0.286 28.425 28.738 -0.045 0.000 0.898 395 Q HN 0.489 nan 8.270 nan 0.000 0.426 396 A N 0.504 123.311 122.820 -0.022 0.000 1.902 396 A HA -0.170 4.086 4.320 -0.106 0.000 0.217 396 A C 2.241 179.838 177.584 0.023 0.000 1.181 396 A CA 1.874 53.912 52.037 0.002 0.000 0.623 396 A CB -0.822 18.209 19.000 0.051 0.000 0.818 396 A HN 0.315 nan 8.150 nan 0.000 0.443 397 T N -0.480 114.110 114.554 0.060 0.000 2.821 397 T HA -0.128 4.158 4.350 -0.106 0.000 0.267 397 T C 2.096 176.751 174.700 -0.076 0.000 1.046 397 T CA 1.244 63.431 62.100 0.144 0.000 1.139 397 T CB -0.225 68.713 68.868 0.116 0.000 0.871 397 T HN 0.404 nan 8.240 nan 0.000 0.454 398 Q N 0.523 120.285 119.800 -0.064 0.000 2.045 398 Q HA -0.106 4.170 4.340 -0.106 0.000 0.206 398 Q C 2.394 178.300 176.000 -0.158 0.000 0.991 398 Q CA 1.514 57.268 55.803 -0.081 0.000 0.851 398 Q CB -0.434 28.289 28.738 -0.025 0.000 0.911 398 Q HN 0.548 nan 8.270 nan 0.000 0.418 399 I N -0.567 119.898 120.570 -0.176 0.000 2.163 399 I HA -0.201 3.906 4.170 -0.106 0.000 0.240 399 I C 2.390 178.229 176.117 -0.463 0.000 1.081 399 I CA 1.213 62.390 61.300 -0.205 0.000 1.353 399 I CB -0.710 37.172 38.000 -0.198 0.000 1.054 399 I HN 0.240 nan 8.210 nan 0.000 0.407 400 G N 0.388 108.690 108.800 -0.829 0.000 2.432 400 G HA2 -0.189 3.708 3.960 -0.106 0.000 0.219 400 G HA3 -0.189 3.708 3.960 -0.106 0.000 0.219 400 G C 1.712 175.477 174.900 -1.892 0.000 1.135 400 G CA 0.804 44.761 45.100 -1.905 0.000 0.767 400 G HN 0.519 nan 8.290 nan 0.000 0.550 401 G N 0.502 108.530 108.800 -1.288 0.000 2.448 401 G HA2 -0.090 3.806 3.960 -0.106 0.000 0.219 401 G HA3 -0.090 3.806 3.960 -0.106 0.000 0.219 401 G C 1.712 176.365 174.900 -0.412 0.000 1.127 401 G CA 0.707 45.382 45.100 -0.707 0.000 0.766 401 G HN 0.450 nan 8.290 nan 0.000 0.552 402 L N -0.576 120.428 121.223 -0.366 0.000 2.221 402 L HA 0.155 4.432 4.340 -0.106 0.000 0.202 402 L C 2.784 179.534 176.870 -0.200 0.000 1.074 402 L CA 0.322 55.029 54.840 -0.221 0.000 0.795 402 L CB -0.206 41.764 42.059 -0.149 0.000 0.960 402 L HN 0.031 nan 8.230 nan 0.000 0.458 403 E N 0.046 120.093 120.200 -0.255 0.000 2.085 403 E HA -0.218 4.068 4.350 -0.106 0.000 0.194 403 E C 2.190 178.693 176.600 -0.162 0.000 0.994 403 E CA 1.184 57.471 56.400 -0.188 0.000 0.801 403 E CB -0.376 29.194 29.700 -0.216 0.000 0.743 403 E HN 0.221 nan 8.360 nan 0.000 0.453 404 V N 0.876 120.654 119.914 -0.227 0.000 2.913 404 V HA -0.164 3.893 4.120 -0.106 0.000 0.260 404 V C 1.719 177.819 176.094 0.009 0.000 1.098 404 V CA 0.838 63.100 62.300 -0.064 0.000 1.121 404 V CB -0.138 31.698 31.823 0.021 0.000 0.714 404 V HN 0.103 nan 8.190 nan 0.000 0.487 405 L N 0.497 121.701 121.223 -0.032 0.000 2.591 405 L HA 0.415 4.692 4.340 -0.106 0.000 0.228 405 L C 1.887 178.755 176.870 -0.003 0.000 1.133 405 L CA 1.275 56.118 54.840 0.006 0.000 0.880 405 L CB -0.450 41.600 42.059 -0.015 0.000 1.033 405 L HN 0.451 nan 8.230 nan 0.000 0.450 406 G N -1.168 107.619 108.800 -0.020 0.000 2.175 406 G HA2 -0.248 3.648 3.960 -0.106 0.000 0.244 406 G HA3 -0.248 3.648 3.960 -0.106 0.000 0.244 406 G C 0.475 175.355 174.900 -0.033 0.000 0.982 406 G CA 0.338 45.428 45.100 -0.017 0.000 0.641 406 G HN 0.278 nan 8.290 nan 0.000 0.527 407 L N 0.501 121.694 121.223 -0.050 0.000 2.469 407 L HA 0.718 4.995 4.340 -0.106 0.000 0.253 407 L C 1.081 177.904 176.870 -0.078 0.000 1.143 407 L CA -0.182 54.620 54.840 -0.063 0.000 0.804 407 L CB 1.369 43.386 42.059 -0.071 0.000 1.214 407 L HN 0.230 nan 8.230 nan 0.000 0.476 408 S N -0.283 115.353 115.700 -0.107 0.000 2.549 408 S HA 0.178 4.585 4.470 -0.106 0.000 0.297 408 S C 0.835 175.334 174.600 -0.168 0.000 1.115 408 S CA -0.886 57.222 58.200 -0.154 0.000 1.059 408 S CB 0.884 63.924 63.200 -0.266 0.000 1.046 408 S HN 0.713 nan 8.310 nan 0.000 0.506 409 W N 4.777 126.016 121.300 -0.103 0.000 2.359 409 W HA -0.141 4.457 4.660 -0.104 0.000 0.275 409 W C 0.973 177.454 176.519 -0.062 0.000 1.217 409 W CA 0.631 57.913 57.345 -0.104 0.000 1.196 409 W CB -0.716 28.676 29.460 -0.115 0.000 1.129 409 W HN 0.721 nan 8.180 nan 0.000 0.566 410 R N 0.726 120.611 120.500 -1.024 0.000 2.189 410 R HA -0.086 4.191 4.340 -0.106 0.000 0.218 410 R C 1.511 177.602 176.300 -0.350 0.000 1.074 410 R CA 1.400 56.938 56.100 -0.935 0.000 0.991 410 R CB -0.340 29.368 30.300 -0.987 0.000 0.883 410 R HN 0.051 nan 8.270 nan 0.000 0.457 411 D N 0.637 120.906 120.400 -0.219 0.000 2.310 411 D HA -0.139 4.437 4.640 -0.106 0.000 0.212 411 D C 1.091 177.435 176.300 0.072 0.000 0.965 411 D CA 1.013 54.977 54.000 -0.060 0.000 0.879 411 D CB -0.143 40.628 40.800 -0.047 0.000 0.921 411 D HN 0.205 nan 8.370 nan 0.000 0.510 412 D N 0.675 121.123 120.400 0.080 0.000 2.149 412 D HA -0.150 4.427 4.640 -0.106 0.000 0.198 412 D C 1.214 177.729 176.300 0.357 0.000 0.990 412 D CA 1.107 55.255 54.000 0.247 0.000 0.839 412 D CB 0.175 41.097 40.800 0.204 0.000 0.948 412 D HN 0.068 nan 8.370 nan 0.000 0.460 413 D N -1.149 119.356 120.400 0.174 0.000 2.162 413 D HA 0.016 4.593 4.640 -0.106 0.000 0.203 413 D C 2.095 178.475 176.300 0.133 0.000 0.967 413 D CA 0.540 54.625 54.000 0.142 0.000 0.840 413 D CB 0.153 40.978 40.800 0.042 0.000 0.972 413 D HN 0.081 nan 8.370 nan 0.000 0.482 414 R N -0.354 120.205 120.500 0.100 0.000 2.073 414 R HA -0.111 4.165 4.340 -0.106 0.000 0.234 414 R C 2.050 178.421 176.300 0.118 0.000 1.134 414 R CA 0.898 57.042 56.100 0.073 0.000 0.952 414 R CB -0.441 29.894 30.300 0.059 0.000 0.850 414 R HN 0.198 nan 8.270 nan 0.000 0.433 415 F N 0.399 120.399 119.950 0.084 0.000 2.069 415 F HA -0.267 4.237 4.527 -0.040 0.000 0.298 415 F C 1.724 177.536 175.800 0.021 0.000 1.113 415 F CA 1.561 59.635 58.000 0.123 0.000 1.214 415 F CB -0.429 38.620 39.000 0.083 0.000 0.978 415 F HN -0.039 nan 8.300 nan 0.000 0.474 416 Y N 0.680 121.028 120.300 0.080 0.000 2.439 416 Y HA -0.193 4.266 4.550 -0.152 0.000 0.292 416 Y C 2.637 178.457 175.900 -0.134 0.000 1.130 416 Y CA 1.426 59.496 58.100 -0.050 0.000 1.254 416 Y CB -0.732 37.781 38.460 0.087 0.000 1.000 416 Y HN 0.384 nan 8.280 nan 0.000 0.554 417 Q N -0.291 119.504 119.800 -0.007 0.000 2.123 417 Q HA -0.171 4.105 4.340 -0.106 0.000 0.199 417 Q C 1.688 177.557 176.000 -0.219 0.000 0.966 417 Q CA 1.163 56.919 55.803 -0.078 0.000 0.845 417 Q CB -0.223 28.484 28.738 -0.052 0.000 0.907 417 Q HN 0.324 nan 8.270 nan 0.000 0.439 418 Q N 0.247 119.802 119.800 -0.408 0.000 2.167 418 Q HA -0.079 4.197 4.340 -0.106 0.000 0.202 418 Q C 2.077 177.668 176.000 -0.682 0.000 0.970 418 Q CA 0.763 56.140 55.803 -0.710 0.000 0.855 418 Q CB -0.094 27.804 28.738 -1.401 0.000 0.911 418 Q HN 0.342 nan 8.270 nan 0.000 0.438 419 L N 0.798 121.676 121.223 -0.574 0.000 2.027 419 L HA -0.112 4.164 4.340 -0.106 0.000 0.206 419 L C 2.322 179.090 176.870 -0.168 0.000 1.074 419 L CA 1.649 56.294 54.840 -0.325 0.000 0.745 419 L CB -0.488 41.353 42.059 -0.364 0.000 0.898 419 L HN 0.057 nan 8.230 nan 0.000 0.433 420 R N -1.157 119.267 120.500 -0.127 0.000 2.200 420 R HA -0.109 4.167 4.340 -0.106 0.000 0.234 420 R C 2.102 178.352 176.300 -0.083 0.000 1.127 420 R CA 1.264 57.324 56.100 -0.067 0.000 0.989 420 R CB -0.206 30.072 30.300 -0.038 0.000 0.869 420 R HN 0.530 nan 8.270 nan 0.000 0.459 421 S N -0.777 114.846 115.700 -0.129 0.000 2.556 421 S HA 0.103 4.510 4.470 -0.106 0.000 0.216 421 S C 0.605 175.146 174.600 -0.098 0.000 0.970 421 S CA -0.536 57.597 58.200 -0.112 0.000 0.912 421 S CB 0.405 63.525 63.200 -0.134 0.000 0.790 421 S HN -0.095 nan 8.310 nan 0.000 0.504 422 V N 4.158 124.014 119.914 -0.097 0.000 2.617 422 V HA 0.205 4.261 4.120 -0.106 0.000 0.304 422 V C 1.153 177.223 176.094 -0.040 0.000 1.040 422 V CA 0.539 62.804 62.300 -0.058 0.000 1.149 422 V CB 0.206 32.011 31.823 -0.030 0.000 0.914 422 V HN 0.721 nan 8.190 nan 0.000 0.487 423 T N 2.624 117.158 114.554 -0.034 0.000 2.881 423 T HA 0.589 4.875 4.350 -0.106 0.000 0.278 423 T C 1.260 175.945 174.700 -0.024 0.000 0.982 423 T CA -0.136 61.946 62.100 -0.029 0.000 0.989 423 T CB 1.705 70.555 68.868 -0.029 0.000 1.058 423 T HN 0.716 nan 8.240 nan 0.000 0.529 424 A N 1.077 123.884 122.820 -0.022 0.000 1.908 424 A HA 0.140 4.397 4.320 -0.106 0.000 0.218 424 A C 2.630 180.197 177.584 -0.027 0.000 1.181 424 A CA 1.975 54.000 52.037 -0.020 0.000 0.627 424 A CB -1.584 17.406 19.000 -0.017 0.000 0.818 424 A HN 1.273 nan 8.150 nan 0.000 0.445 425 A N -0.270 122.533 122.820 -0.028 0.000 1.902 425 A HA -0.183 4.074 4.320 -0.106 0.000 0.217 425 A C 1.909 179.470 177.584 -0.039 0.000 1.181 425 A CA 1.704 53.722 52.037 -0.032 0.000 0.623 425 A CB -0.528 18.455 19.000 -0.028 0.000 0.818 425 A HN 0.649 nan 8.150 nan 0.000 0.443 426 E N -0.507 119.672 120.200 -0.035 0.000 2.150 426 E HA -0.092 4.195 4.350 -0.106 0.000 0.193 426 E C 1.920 178.488 176.600 -0.054 0.000 0.985 426 E CA 1.094 57.470 56.400 -0.039 0.000 0.814 426 E CB -0.184 29.500 29.700 -0.026 0.000 0.752 426 E HN 0.409 nan 8.360 nan 0.000 0.466 427 V N 1.538 121.423 119.914 -0.048 0.000 2.358 427 V HA -0.252 3.805 4.120 -0.106 0.000 0.246 427 V C 2.347 178.389 176.094 -0.087 0.000 1.047 427 V CA 1.739 64.003 62.300 -0.060 0.000 1.035 427 V CB -0.365 31.438 31.823 -0.034 0.000 0.658 427 V HN 0.192 nan 8.190 nan 0.000 0.452 428 K N 0.490 120.848 120.400 -0.071 0.000 2.032 428 K HA -0.198 4.059 4.320 -0.106 0.000 0.209 428 K C 2.184 178.725 176.600 -0.100 0.000 1.048 428 K CA 1.730 57.969 56.287 -0.079 0.000 0.927 428 K CB -0.376 32.090 32.500 -0.057 0.000 0.712 428 K HN 0.406 nan 8.250 nan 0.000 0.441 429 A N 0.931 123.698 122.820 -0.089 0.000 1.933 429 A HA -0.095 4.162 4.320 -0.106 0.000 0.218 429 A C 2.301 179.804 177.584 -0.135 0.000 1.175 429 A CA 1.838 53.818 52.037 -0.095 0.000 0.628 429 A CB -0.757 18.200 19.000 -0.071 0.000 0.814 429 A HN 0.513 nan 8.150 nan 0.000 0.444 430 A N -0.248 122.478 122.820 -0.156 0.000 1.933 430 A HA 0.186 4.442 4.320 -0.106 0.000 0.218 430 A C 2.422 179.807 177.584 -0.331 0.000 1.175 430 A CA 1.903 53.803 52.037 -0.228 0.000 0.628 430 A CB -0.807 18.059 19.000 -0.225 0.000 0.814 430 A HN 1.024 nan 8.150 nan 0.000 0.444 431 A N -0.328 122.314 122.820 -0.297 0.000 2.014 431 A HA 0.295 4.551 4.320 -0.106 0.000 0.218 431 A C 2.382 179.779 177.584 -0.312 0.000 1.163 431 A CA 1.529 53.354 52.037 -0.354 0.000 0.652 431 A CB -0.774 18.073 19.000 -0.255 0.000 0.808 431 A HN 0.995 nan 8.150 nan 0.000 0.449 432 A N 0.948 123.635 122.820 -0.220 0.000 2.019 432 A HA -0.172 4.084 4.320 -0.106 0.000 0.219 432 A C 2.166 179.641 177.584 -0.182 0.000 1.164 432 A CA 1.514 53.450 52.037 -0.169 0.000 0.644 432 A CB -0.525 18.404 19.000 -0.117 0.000 0.805 432 A HN 0.716 nan 8.150 nan 0.000 0.449 433 R N -1.195 119.168 120.500 -0.229 0.000 2.235 433 R HA 0.065 4.341 4.340 -0.106 0.000 0.213 433 R C 0.521 176.643 176.300 -0.296 0.000 1.059 433 R CA 0.924 56.898 56.100 -0.210 0.000 0.997 433 R CB -0.306 29.877 30.300 -0.194 0.000 0.884 433 R HN 0.316 nan 8.270 nan 0.000 0.462 434 L N 0.745 121.679 121.223 -0.482 0.000 2.607 434 L HA 0.139 4.416 4.340 -0.106 0.000 0.228 434 L C 1.397 178.031 176.870 -0.393 0.000 1.123 434 L CA 0.331 54.668 54.840 -0.839 0.000 0.890 434 L CB 0.169 41.458 42.059 -1.283 0.000 1.103 434 L HN 0.139 nan 8.230 nan 0.000 0.468 435 L N -1.017 120.099 121.223 -0.178 0.000 2.109 435 L HA 0.001 4.278 4.340 -0.106 0.000 0.207 435 L C 1.529 178.446 176.870 0.079 0.000 1.086 435 L CA 1.157 55.974 54.840 -0.039 0.000 0.760 435 L CB -0.852 41.178 42.059 -0.047 0.000 0.910 435 L HN 0.194 nan 8.230 nan 0.000 0.437 436 T N -0.581 114.029 114.554 0.093 0.000 2.813 436 T HA 0.047 4.333 4.350 -0.106 0.000 0.297 436 T C 0.738 175.595 174.700 0.261 0.000 1.036 436 T CA -0.032 62.151 62.100 0.139 0.000 1.044 436 T CB 0.693 69.621 68.868 0.101 0.000 0.993 436 T HN 0.414 nan 8.240 nan 0.000 0.535 437 D N 0.642 121.136 120.400 0.156 0.000 2.398 437 D HA 0.105 4.682 4.640 -0.106 0.000 0.210 437 D C 1.005 177.336 176.300 0.052 0.000 1.094 437 D CA -0.077 53.983 54.000 0.098 0.000 0.839 437 D CB -0.051 40.766 40.800 0.027 0.000 0.963 437 D HN 0.415 nan 8.370 nan 0.000 0.506 438 D N 0.744 121.192 120.400 0.081 0.000 2.190 438 D HA -0.138 4.439 4.640 -0.106 0.000 0.200 438 D C 1.514 177.856 176.300 0.070 0.000 0.992 438 D CA 2.071 56.107 54.000 0.060 0.000 0.854 438 D CB -0.170 40.667 40.800 0.063 0.000 0.936 438 D HN 0.502 nan 8.370 nan 0.000 0.462 439 T N -2.340 112.285 114.554 0.117 0.000 3.182 439 T HA 0.299 4.586 4.350 -0.106 0.000 0.277 439 T C 0.211 174.915 174.700 0.007 0.000 1.013 439 T CA -0.643 61.552 62.100 0.158 0.000 0.900 439 T CB -0.044 68.981 68.868 0.262 0.000 1.098 439 T HN -0.074 nan 8.240 nan 0.000 0.543 440 L N 1.967 123.083 121.223 -0.179 0.000 2.307 440 L HA 0.724 5.001 4.340 -0.106 0.000 0.284 440 L C -0.865 175.786 176.870 -0.366 0.000 1.023 440 L CA -0.004 54.508 54.840 -0.546 0.000 0.810 440 L CB 1.888 43.497 42.059 -0.749 0.000 1.231 440 L HN 0.071 nan 8.230 nan 0.000 0.423 441 T N 4.572 118.879 114.554 -0.412 0.000 2.792 441 T HA 0.566 4.853 4.350 -0.106 0.000 0.280 441 T C -0.758 173.763 174.700 -0.298 0.000 0.990 441 T CA -0.388 61.543 62.100 -0.281 0.000 0.960 441 T CB 1.359 70.090 68.868 -0.228 0.000 0.939 441 T HN 0.366 nan 8.240 nan 0.000 0.439 442 V N 2.868 122.653 119.914 -0.216 0.000 2.347 442 V HA 0.740 4.797 4.120 -0.106 0.000 0.280 442 V C 0.171 176.198 176.094 -0.112 0.000 1.021 442 V CA -0.904 61.289 62.300 -0.178 0.000 0.847 442 V CB 1.039 32.773 31.823 -0.148 0.000 0.990 442 V HN 1.057 nan 8.190 nan 0.000 0.444 443 A N 4.915 127.678 122.820 -0.095 0.000 2.303 443 A HA 0.811 5.068 4.320 -0.106 0.000 0.320 443 A C -0.224 177.358 177.584 -0.003 0.000 1.192 443 A CA -0.681 51.327 52.037 -0.048 0.000 0.821 443 A CB 0.655 19.622 19.000 -0.055 0.000 1.188 443 A HN 1.048 nan 8.150 nan 0.000 0.492 444 N N 1.631 120.337 118.700 0.011 0.000 2.238 444 N HA 0.523 5.199 4.740 -0.106 0.000 0.302 444 N C -1.046 174.495 175.510 0.052 0.000 1.072 444 N CA -0.805 52.268 53.050 0.038 0.000 0.792 444 N CB 1.751 40.246 38.487 0.014 0.000 1.425 444 N HN 0.462 nan 8.380 nan 0.000 0.478 445 L N 3.174 124.451 121.223 0.089 0.000 2.265 445 L HA 0.512 4.789 4.340 -0.106 0.000 0.289 445 L C -1.190 175.716 176.870 0.060 0.000 1.033 445 L CA -0.717 54.170 54.840 0.078 0.000 0.814 445 L CB 1.067 43.193 42.059 0.111 0.000 1.203 445 L HN 0.533 nan 8.230 nan 0.000 0.423 446 V N 8.228 128.164 119.914 0.037 0.000 2.385 446 V HA 0.313 4.370 4.120 -0.106 0.000 0.269 446 V C -1.887 174.224 176.094 0.028 0.000 1.043 446 V CA -1.319 60.998 62.300 0.028 0.000 0.906 446 V CB 1.135 32.968 31.823 0.017 0.000 0.995 446 V HN 0.697 nan 8.190 nan 0.000 0.467 447 P HA 0.303 nan 4.420 nan 0.000 0.276 447 P C -0.827 176.485 177.300 0.019 0.000 1.235 447 P CA -0.123 62.994 63.100 0.028 0.000 0.772 447 P CB 1.085 32.804 31.700 0.032 0.000 0.871 448 L N 5.338 126.572 121.223 0.017 0.000 2.334 448 L HA 0.470 4.747 4.340 -0.106 0.000 0.272 448 L C -2.188 174.690 176.870 0.014 0.000 1.020 448 L CA -2.854 51.994 54.840 0.014 0.000 0.812 448 L CB 1.488 43.554 42.059 0.012 0.000 1.264 448 L HN 0.120 nan 8.230 nan 0.000 0.439 449 P HA 0.137 nan 4.420 nan 0.000 0.265 449 P C -2.265 175.044 177.300 0.014 0.000 1.222 449 P CA -0.617 62.490 63.100 0.013 0.000 0.767 449 P CB -0.086 31.621 31.700 0.010 0.000 0.801 450 P HA 0.000 nan 4.420 nan 0.000 0.216 450 P CA 0.000 63.111 63.100 0.018 0.000 0.800 450 P CB 0.000 31.712 31.700 0.020 0.000 0.726