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 1i19_1_B DATA FIRST_RESID 57 DATA SEQUENCE VAPLPTPPNF PNDIALFQQA YQNWSKEIML DATWVCSPKT PQDVVRLANW DATA SEQUENCE AHEHDYKIRP RGAMHGWTPL TVEKGANVEK VILADTMTHL NGITVNTGGP DATA SEQUENCE VATVTAGAGA SIEAIVTELQ KHDLGWANLP APGVLSIGGA LAVNAHGAAL DATA SEQUENCE PAVGQTTLPG HTYGSLSNLV TELTAVVWNG TTYALETYQR NDPRITPLLT DATA SEQUENCE NLGRCFLTSV TMQAGPNFRQ RCQSYTDIPW RELFAPKGAD GRTFEKFVAE DATA SEQUENCE SGGAEAIWYP FTEKPWMKVW TVSXXXXXXX XXXXXXXXXX XXVGKPPQAR DATA SEQUENCE EVSGPYNYIF SDNLPEPITD MIGAINAGNP GIAPLFGPAM YEITKLGLAA DATA SEQUENCE TNANDIWGWS KDVQFYIKAT TLRLTEGGGA VVTSRANIAT VINDFTEWFH DATA SEQUENCE ERIEFYRAKG EFPLNGPVEI RCCGLDQAAD VKVPSVGPPT ISATRPRPDH DATA SEQUENCE PDWDVAIWLN VLGVPGTPGM FEFYREMEQW MRSHYNNDDA TFRPEWSKGW DATA SEQUENCE AFGPDPYTDN DIVTNKMRAT YIEGVPTTEN WDTARARYNQ IDPHRVFTNG DATA SEQUENCE FMDKLLP 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 57 V HA 0.000 nan 4.120 nan 0.000 0.244 57 V C 0.000 176.067 176.094 -0.045 0.000 1.182 57 V CA 0.000 62.276 62.300 -0.040 0.000 1.235 57 V CB 0.000 31.792 31.823 -0.052 0.000 1.184 58 A N 5.996 128.790 122.820 -0.043 0.000 2.498 58 A HA 0.652 4.972 4.320 0.000 0.000 0.239 58 A C -1.856 175.688 177.584 -0.066 0.000 1.068 58 A CA -0.655 51.358 52.037 -0.040 0.000 0.766 58 A CB -0.062 18.921 19.000 -0.029 0.000 1.003 58 A HN 0.632 nan 8.150 nan 0.000 0.497 59 P HA 0.260 nan 4.420 nan 0.000 0.276 59 P C -0.566 176.693 177.300 -0.068 0.000 1.230 59 P CA -0.075 62.983 63.100 -0.071 0.000 0.776 59 P CB 0.618 32.316 31.700 -0.003 0.000 0.888 60 L N 4.877 125.990 121.223 -0.184 0.000 2.452 60 L HA 0.249 4.589 4.340 0.000 0.000 0.267 60 L C -1.749 175.253 176.870 0.220 0.000 1.188 60 L CA -1.917 52.857 54.840 -0.109 0.000 0.821 60 L CB -0.401 41.341 42.059 -0.528 0.000 1.102 60 L HN 0.250 nan 8.230 nan 0.000 0.470 61 P HA 0.003 nan 4.420 nan 0.000 0.266 61 P C -0.760 176.798 177.300 0.429 0.000 1.195 61 P CA -0.031 63.242 63.100 0.288 0.000 0.768 61 P CB 0.321 32.158 31.700 0.228 0.000 0.838 62 T N 5.348 120.055 114.554 0.256 0.000 2.834 62 T HA 0.194 4.544 4.350 0.000 0.000 0.298 62 T C -2.033 172.672 174.700 0.008 0.000 0.966 62 T CA -0.771 61.376 62.100 0.079 0.000 1.141 62 T CB -0.422 68.454 68.868 0.013 0.000 0.905 62 T HN 0.283 nan 8.240 nan 0.000 0.535 63 P HA 0.169 nan 4.420 nan 0.000 0.268 63 P C -2.292 175.000 177.300 -0.014 0.000 1.204 63 P CA -1.200 61.836 63.100 -0.107 0.000 0.768 63 P CB -0.163 31.237 31.700 -0.501 0.000 0.842 64 P HA -0.030 nan 4.420 nan 0.000 0.271 64 P C -0.321 177.011 177.300 0.054 0.000 1.233 64 P CA 0.133 63.267 63.100 0.057 0.000 0.764 64 P CB 0.262 32.018 31.700 0.094 0.000 0.825 65 N N 0.903 119.639 118.700 0.061 0.000 2.699 65 N HA -0.231 4.509 4.740 0.000 0.000 0.256 65 N C -0.198 175.336 175.510 0.040 0.000 0.993 65 N CA 0.761 53.853 53.050 0.071 0.000 0.759 65 N CB -1.541 37.027 38.487 0.136 0.000 0.906 65 N HN 0.478 nan 8.380 nan 0.000 0.541 66 F N 1.332 121.072 119.950 -0.350 0.000 2.506 66 F HA 0.208 4.735 4.527 -0.000 0.000 0.351 66 F C -1.357 174.099 175.800 -0.572 0.000 1.136 66 F CA -1.676 55.808 58.000 -0.860 0.000 1.298 66 F CB 0.409 38.872 39.000 -0.896 0.000 1.145 66 F HN -0.016 nan 8.300 nan 0.000 0.593 67 P HA -0.025 nan 4.420 nan 0.000 0.257 67 P C 0.043 177.162 177.300 -0.302 0.000 1.189 67 P CA 0.439 63.178 63.100 -0.600 0.000 0.780 67 P CB 0.273 31.536 31.700 -0.728 0.000 0.772 68 N N 2.631 121.226 118.700 -0.173 0.000 2.430 68 N HA -0.150 4.590 4.740 0.000 0.000 0.186 68 N C 0.900 176.361 175.510 -0.082 0.000 1.032 68 N CA 1.182 54.172 53.050 -0.100 0.000 0.893 68 N CB -0.086 38.354 38.487 -0.078 0.000 0.957 68 N HN 0.581 nan 8.380 nan 0.000 0.442 69 D N -0.182 120.160 120.400 -0.096 0.000 2.349 69 D HA 0.017 4.657 4.640 0.000 0.000 0.214 69 D C 0.475 176.747 176.300 -0.047 0.000 1.063 69 D CA -0.054 53.906 54.000 -0.066 0.000 0.847 69 D CB 0.189 40.948 40.800 -0.068 0.000 0.933 69 D HN 0.169 nan 8.370 nan 0.000 0.513 70 I N 1.664 122.201 120.570 -0.055 0.000 2.337 70 I HA 0.342 4.512 4.170 0.000 0.000 0.285 70 I C 0.300 176.482 176.117 0.108 0.000 1.041 70 I CA -0.915 60.400 61.300 0.026 0.000 1.199 70 I CB 1.367 39.341 38.000 -0.043 0.000 1.370 70 I HN -0.083 nan 8.210 nan 0.000 0.470 71 A N 7.838 130.701 122.820 0.072 0.000 2.511 71 A HA 0.465 4.785 4.320 0.000 0.000 0.242 71 A C -0.319 177.199 177.584 -0.110 0.000 1.069 71 A CA 0.188 52.185 52.037 -0.067 0.000 0.763 71 A CB 0.275 19.268 19.000 -0.013 0.000 1.001 71 A HN 0.720 nan 8.150 nan 0.000 0.498 72 L N 1.722 122.685 121.223 -0.433 0.000 2.334 72 L HA 0.690 5.030 4.340 0.000 0.000 0.276 72 L C -1.215 175.394 176.870 -0.435 0.000 1.014 72 L CA -0.392 54.224 54.840 -0.373 0.000 0.815 72 L CB 1.629 43.229 42.059 -0.765 0.000 1.268 72 L HN 0.706 nan 8.230 nan 0.000 0.428 73 F N 0.625 120.698 119.950 0.205 0.000 2.569 73 F HA 0.348 4.875 4.527 -0.000 0.000 0.312 73 F C -0.041 175.922 175.800 0.271 0.000 1.109 73 F CA -0.638 57.499 58.000 0.229 0.000 0.919 73 F CB 1.862 40.932 39.000 0.116 0.000 1.211 73 F HN 0.332 nan 8.300 nan 0.000 0.446 74 Q N 3.522 123.480 119.800 0.263 0.000 2.322 74 Q HA 0.469 4.809 4.340 0.000 0.000 0.256 74 Q C -1.257 174.738 176.000 -0.007 0.000 0.960 74 Q CA -0.331 55.402 55.803 -0.116 0.000 0.934 74 Q CB 0.907 29.378 28.738 -0.445 0.000 1.200 74 Q HN 0.751 nan 8.270 nan 0.000 0.435 75 Q N 1.586 121.386 119.800 -0.000 0.000 2.451 75 Q HA 0.700 5.040 4.340 0.000 0.000 0.281 75 Q C -1.213 174.787 176.000 -0.001 0.000 1.099 75 Q CA -0.986 54.824 55.803 0.013 0.000 0.806 75 Q CB 1.949 30.712 28.738 0.043 0.000 1.419 75 Q HN 0.735 nan 8.270 nan 0.000 0.427 76 A N 0.843 123.658 122.820 -0.007 0.000 2.313 76 A HA 0.443 4.764 4.320 0.000 0.000 0.261 76 A C -1.471 176.145 177.584 0.053 0.000 1.090 76 A CA 0.023 52.064 52.037 0.007 0.000 0.807 76 A CB 0.335 19.323 19.000 -0.020 0.000 1.055 76 A HN 0.663 nan 8.150 nan 0.000 0.492 77 Y N -0.138 120.140 120.300 -0.036 0.000 2.376 77 Y HA 0.555 5.105 4.550 0.000 0.000 0.340 77 Y C -0.284 175.596 175.900 -0.034 0.000 0.965 77 Y CA -0.348 57.736 58.100 -0.028 0.000 1.078 77 Y CB 1.535 39.986 38.460 -0.016 0.000 1.193 77 Y HN 0.760 nan 8.280 nan 0.000 0.452 78 Q N 5.690 125.122 119.800 -0.613 0.000 2.268 78 Q HA 0.301 4.641 4.340 0.000 0.000 0.266 78 Q C -1.509 174.166 176.000 -0.541 0.000 1.006 78 Q CA -0.990 54.594 55.803 -0.365 0.000 0.824 78 Q CB 1.255 29.856 28.738 -0.228 0.000 1.306 78 Q HN 0.884 nan 8.270 nan 0.000 0.424 79 N N 1.746 120.279 118.700 -0.278 0.000 2.434 79 N HA 0.032 4.772 4.740 0.000 0.000 0.266 79 N C 0.494 175.875 175.510 -0.214 0.000 1.223 79 N CA -0.424 52.501 53.050 -0.209 0.000 0.972 79 N CB 0.257 38.751 38.487 0.011 0.000 1.207 79 N HN 0.844 nan 8.380 nan 0.000 0.525 80 W N 1.288 122.308 121.300 -0.466 0.000 2.304 80 W HA -0.243 4.417 4.660 -0.000 0.000 0.315 80 W C 2.199 178.529 176.519 -0.315 0.000 1.233 80 W CA 3.336 60.359 57.345 -0.536 0.000 1.261 80 W CB -0.705 28.169 29.460 -0.977 0.000 1.150 80 W HN 0.707 nan 8.180 nan 0.000 0.494 81 S N -0.166 115.353 115.700 -0.301 0.000 2.515 81 S HA -0.057 4.413 4.470 0.000 0.000 0.231 81 S C 1.116 175.600 174.600 -0.194 0.000 0.987 81 S CA 1.211 59.247 58.200 -0.274 0.000 0.936 81 S CB -0.409 62.927 63.200 0.227 0.000 0.766 81 S HN 0.460 nan 8.310 nan 0.000 0.528 82 K N -0.216 120.082 120.400 -0.170 0.000 3.407 82 K HA -0.210 4.110 4.320 0.000 0.000 0.312 82 K C 0.579 177.177 176.600 -0.004 0.000 1.302 82 K CA 1.248 57.470 56.287 -0.109 0.000 0.931 82 K CB -1.674 30.735 32.500 -0.150 0.000 1.257 82 K HN 0.591 nan 8.250 nan 0.000 0.454 83 E N 0.253 120.498 120.200 0.074 0.000 2.285 83 E HA 0.013 4.363 4.350 0.000 0.000 0.194 83 E C 0.309 176.986 176.600 0.129 0.000 0.997 83 E CA 0.615 57.102 56.400 0.146 0.000 0.845 83 E CB 0.183 30.045 29.700 0.271 0.000 0.782 83 E HN 0.352 nan 8.360 nan 0.000 0.491 84 I N 1.741 122.382 120.570 0.119 0.000 2.390 84 I HA 0.271 4.441 4.170 0.000 0.000 0.283 84 I C -0.627 175.572 176.117 0.137 0.000 1.016 84 I CA -0.124 61.257 61.300 0.136 0.000 1.151 84 I CB 0.963 39.074 38.000 0.186 0.000 1.293 84 I HN -0.142 nan 8.210 nan 0.000 0.458 85 M N 7.370 127.030 119.600 0.100 0.000 2.204 85 M HA 0.503 4.983 4.480 0.000 0.000 0.293 85 M C -1.526 174.820 176.300 0.077 0.000 0.994 85 M CA -0.631 54.715 55.300 0.077 0.000 0.925 85 M CB 2.602 35.215 32.600 0.021 0.000 1.577 85 M HN 0.285 nan 8.290 nan 0.000 0.439 86 L N 2.641 123.924 121.223 0.101 0.000 2.385 86 L HA 0.360 4.700 4.340 0.000 0.000 0.273 86 L C 0.568 177.459 176.870 0.034 0.000 0.990 86 L CA -0.260 54.616 54.840 0.060 0.000 0.821 86 L CB 1.737 43.833 42.059 0.062 0.000 1.279 86 L HN 0.676 nan 8.230 nan 0.000 0.412 87 D N 1.137 121.537 120.400 -0.001 0.000 2.219 87 D HA 0.098 4.738 4.640 0.000 0.000 0.205 87 D C 0.339 176.611 176.300 -0.046 0.000 0.970 87 D CA 1.065 55.052 54.000 -0.023 0.000 0.851 87 D CB 0.286 41.067 40.800 -0.031 0.000 0.943 87 D HN 0.446 nan 8.370 nan 0.000 0.488 88 A N -0.513 122.270 122.820 -0.062 0.000 2.488 88 A HA 0.683 5.003 4.320 0.000 0.000 0.298 88 A C -0.631 176.871 177.584 -0.138 0.000 1.044 88 A CA -0.407 51.553 52.037 -0.128 0.000 0.693 88 A CB 1.540 20.421 19.000 -0.198 0.000 1.272 88 A HN 0.278 nan 8.150 nan 0.000 0.402 89 T N -1.751 112.712 114.554 -0.153 0.000 2.894 89 T HA 0.627 4.977 4.350 0.000 0.000 0.309 89 T C -1.042 173.600 174.700 -0.096 0.000 1.208 89 T CA -0.469 61.576 62.100 -0.092 0.000 1.016 89 T CB 0.775 69.672 68.868 0.048 0.000 1.192 89 T HN 0.643 nan 8.240 nan 0.000 0.491 90 W N 1.682 123.018 121.300 0.060 0.000 2.322 90 W HA 0.604 5.264 4.660 -0.000 0.000 0.307 90 W C -0.615 175.948 176.519 0.073 0.000 1.220 90 W CA -0.575 56.792 57.345 0.037 0.000 1.210 90 W CB 1.440 30.903 29.460 0.006 0.000 1.223 90 W HN 0.571 nan 8.180 nan 0.000 0.511 91 V N 4.335 124.502 119.914 0.423 0.000 2.789 91 V HA 0.513 4.633 4.120 0.000 0.000 0.311 91 V C -0.058 176.244 176.094 0.346 0.000 1.073 91 V CA -1.032 61.459 62.300 0.318 0.000 0.921 91 V CB 1.188 33.160 31.823 0.248 0.000 1.009 91 V HN 0.731 nan 8.190 nan 0.000 0.426 92 C N 1.082 120.555 119.300 0.288 0.000 3.080 92 C HA 0.893 5.354 4.460 0.000 0.000 0.307 92 C C -0.065 175.073 174.990 0.248 0.000 1.311 92 C CA -0.626 58.578 59.018 0.309 0.000 1.533 92 C CB 1.675 29.580 27.740 0.274 0.000 1.970 92 C HN 0.738 nan 8.230 nan 0.000 0.467 93 S N 2.992 118.841 115.700 0.249 0.000 2.406 93 S HA 0.457 4.927 4.470 0.000 0.000 0.224 93 S C -2.603 172.166 174.600 0.281 0.000 1.426 93 S CA -0.381 57.945 58.200 0.210 0.000 1.179 93 S CB 0.502 63.772 63.200 0.117 0.000 1.042 93 S HN 0.820 nan 8.310 nan 0.000 0.479 94 P HA 0.059 nan 4.420 nan 0.000 0.262 94 P C 0.117 177.538 177.300 0.201 0.000 1.182 94 P CA 0.019 63.219 63.100 0.166 0.000 0.761 94 P CB 0.853 32.625 31.700 0.120 0.000 0.795 95 K N 0.901 121.344 120.400 0.072 0.000 2.243 95 K HA 0.033 4.353 4.320 0.000 0.000 0.201 95 K C 1.121 177.706 176.600 -0.026 0.000 1.051 95 K CA 1.048 57.276 56.287 -0.099 0.000 0.970 95 K CB 0.087 32.443 32.500 -0.240 0.000 0.755 95 K HN 0.674 nan 8.250 nan 0.000 0.465 96 T N -3.950 110.608 114.554 0.005 0.000 2.864 96 T HA 0.254 4.604 4.350 0.000 0.000 0.299 96 T C -2.621 172.091 174.700 0.019 0.000 1.166 96 T CA -1.880 60.227 62.100 0.012 0.000 1.007 96 T CB 1.973 70.833 68.868 -0.012 0.000 1.219 96 T HN -0.344 nan 8.240 nan 0.000 0.506 97 P HA -0.089 nan 4.420 nan 0.000 0.216 97 P C 1.591 178.883 177.300 -0.014 0.000 1.150 97 P CA 0.957 64.065 63.100 0.014 0.000 0.837 97 P CB 0.127 31.845 31.700 0.031 0.000 0.786 98 Q N 0.041 119.836 119.800 -0.009 0.000 2.226 98 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 98 Q C 1.502 177.485 176.000 -0.029 0.000 0.975 98 Q CA 1.629 57.424 55.803 -0.014 0.000 0.866 98 Q CB -1.105 27.625 28.738 -0.013 0.000 0.915 98 Q HN 0.211 nan 8.270 nan 0.000 0.440 99 D N -1.125 119.254 120.400 -0.036 0.000 2.219 99 D HA -0.090 4.550 4.640 0.000 0.000 0.205 99 D C 1.654 177.910 176.300 -0.072 0.000 0.970 99 D CA 1.001 54.970 54.000 -0.052 0.000 0.851 99 D CB 0.215 40.994 40.800 -0.035 0.000 0.943 99 D HN 0.187 nan 8.370 nan 0.000 0.488 100 V N 0.756 120.611 119.914 -0.098 0.000 2.548 100 V HA -0.161 3.959 4.120 0.000 0.000 0.249 100 V C 2.650 178.671 176.094 -0.122 0.000 1.055 100 V CA 0.768 62.946 62.300 -0.203 0.000 1.065 100 V CB -0.303 31.248 31.823 -0.454 0.000 0.681 100 V HN 0.041 nan 8.190 nan 0.000 0.462 101 V N 0.236 120.120 119.914 -0.049 0.000 2.295 101 V HA -0.251 3.869 4.120 0.000 0.000 0.246 101 V C 2.614 178.735 176.094 0.045 0.000 1.049 101 V CA 2.077 64.400 62.300 0.039 0.000 1.024 101 V CB -0.765 31.092 31.823 0.057 0.000 0.648 101 V HN 0.478 nan 8.190 nan 0.000 0.447 102 R N -0.315 120.185 120.500 -0.001 0.000 2.091 102 R HA -0.118 4.222 4.340 0.000 0.000 0.238 102 R C 2.297 178.590 176.300 -0.013 0.000 1.136 102 R CA 1.406 57.499 56.100 -0.012 0.000 0.959 102 R CB -0.475 29.781 30.300 -0.074 0.000 0.856 102 R HN 0.404 nan 8.270 nan 0.000 0.437 103 L N 0.115 121.304 121.223 -0.057 0.000 2.046 103 L HA -0.161 4.179 4.340 0.000 0.000 0.208 103 L C 2.664 179.591 176.870 0.094 0.000 1.077 103 L CA 1.218 56.042 54.840 -0.028 0.000 0.747 103 L CB -0.512 41.533 42.059 -0.023 0.000 0.896 103 L HN 0.275 nan 8.230 nan 0.000 0.432 104 A N -0.044 122.776 122.820 0.001 0.000 1.898 104 A HA -0.194 4.126 4.320 0.000 0.000 0.216 104 A C 2.040 179.589 177.584 -0.060 0.000 1.181 104 A CA 1.728 53.658 52.037 -0.178 0.000 0.620 104 A CB -0.495 18.316 19.000 -0.315 0.000 0.819 104 A HN 0.433 nan 8.150 nan 0.000 0.442 105 N N -1.537 117.257 118.700 0.156 0.000 2.216 105 N HA -0.162 4.578 4.740 0.000 0.000 0.183 105 N C 1.496 177.137 175.510 0.218 0.000 1.017 105 N CA 1.426 54.656 53.050 0.301 0.000 0.861 105 N CB -0.466 38.189 38.487 0.279 0.000 0.986 105 N HN 0.804 nan 8.380 nan 0.000 0.428 106 W N 2.229 123.542 121.300 0.020 0.000 2.355 106 W HA -0.050 4.610 4.660 0.000 0.000 0.309 106 W C 2.333 178.922 176.519 0.116 0.000 1.206 106 W CA 2.111 59.472 57.345 0.026 0.000 1.284 106 W CB -0.375 28.979 29.460 -0.176 0.000 1.145 106 W HN 0.042 nan 8.180 nan 0.000 0.502 107 A N -0.440 122.464 122.820 0.139 0.000 1.902 107 A HA -0.307 4.013 4.320 0.000 0.000 0.217 107 A C 2.076 179.611 177.584 -0.080 0.000 1.181 107 A CA 1.984 54.003 52.037 -0.030 0.000 0.623 107 A CB -1.663 17.433 19.000 0.161 0.000 0.818 107 A HN 0.700 nan 8.150 nan 0.000 0.443 108 H N -0.759 118.234 119.070 -0.128 0.000 2.319 108 H HA -0.169 4.387 4.556 0.000 0.000 0.299 108 H C 2.127 177.323 175.328 -0.219 0.000 1.092 108 H CA 1.688 57.657 56.048 -0.131 0.000 1.302 108 H CB -0.042 29.734 29.762 0.022 0.000 1.373 108 H HN 0.654 nan 8.280 nan 0.000 0.497 109 E N -0.332 119.621 120.200 -0.410 0.000 2.204 109 E HA -0.171 4.179 4.350 0.000 0.000 0.194 109 E C 0.702 176.858 176.600 -0.740 0.000 0.989 109 E CA 1.027 57.047 56.400 -0.634 0.000 0.824 109 E CB 0.139 29.492 29.700 -0.579 0.000 0.756 109 E HN 0.692 nan 8.360 nan 0.000 0.477 110 H N -0.102 118.651 119.070 -0.529 0.000 2.592 110 H HA 0.160 4.716 4.556 0.000 0.000 0.279 110 H C -0.635 174.620 175.328 -0.121 0.000 1.089 110 H CA 0.149 55.941 56.048 -0.426 0.000 1.150 110 H CB 0.654 29.906 29.762 -0.850 0.000 1.575 110 H HN 0.068 nan 8.280 nan 0.000 0.547 111 D N 0.165 120.534 120.400 -0.051 0.000 2.708 111 D HA -0.254 4.386 4.640 0.000 0.000 0.236 111 D C -0.823 175.526 176.300 0.082 0.000 1.146 111 D CA 0.884 54.892 54.000 0.013 0.000 0.662 111 D CB -1.412 39.378 40.800 -0.017 0.000 1.059 111 D HN 0.413 nan 8.370 nan 0.000 0.428 112 Y N -0.155 120.087 120.300 -0.098 0.000 2.496 112 Y HA 0.447 4.997 4.550 0.000 0.000 0.331 112 Y C 1.196 177.108 175.900 0.019 0.000 1.140 112 Y CA -0.389 57.717 58.100 0.009 0.000 1.166 112 Y CB 1.027 39.548 38.460 0.101 0.000 1.249 112 Y HN -0.317 nan 8.280 nan 0.000 0.479 113 K N 2.378 122.877 120.400 0.165 0.000 2.156 113 K HA 0.535 4.855 4.320 0.000 0.000 0.250 113 K C -1.207 175.500 176.600 0.178 0.000 0.955 113 K CA -0.588 55.754 56.287 0.092 0.000 0.855 113 K CB 1.950 34.481 32.500 0.051 0.000 1.101 113 K HN 0.440 nan 8.250 nan 0.000 0.434 114 I N 2.562 123.209 120.570 0.129 0.000 2.498 114 I HA 0.387 4.557 4.170 0.000 0.000 0.290 114 I C -0.255 176.098 176.117 0.394 0.000 1.032 114 I CA -0.829 60.639 61.300 0.280 0.000 1.073 114 I CB 1.593 39.759 38.000 0.277 0.000 1.251 114 I HN 0.297 nan 8.210 nan 0.000 0.426 115 R N 6.284 126.992 120.500 0.346 0.000 2.575 115 R HA 0.520 4.860 4.340 0.000 0.000 0.293 115 R C -2.747 173.668 176.300 0.191 0.000 0.983 115 R CA -2.091 54.149 56.100 0.234 0.000 0.887 115 R CB 2.164 32.524 30.300 0.100 0.000 1.184 115 R HN 0.287 nan 8.270 nan 0.000 0.445 116 P HA 0.264 nan 4.420 nan 0.000 0.280 116 P C -0.690 176.558 177.300 -0.087 0.000 1.244 116 P CA -0.458 62.467 63.100 -0.292 0.000 0.784 116 P CB 1.329 32.422 31.700 -1.012 0.000 0.913 117 R N 2.234 122.746 120.500 0.020 0.000 2.337 117 R HA 0.550 4.891 4.340 0.000 0.000 0.319 117 R C 0.529 176.852 176.300 0.039 0.000 0.954 117 R CA -0.375 55.768 56.100 0.071 0.000 0.840 117 R CB 0.836 31.224 30.300 0.146 0.000 1.164 117 R HN 0.650 nan 8.270 nan 0.000 0.472 118 G N 1.304 110.117 108.800 0.022 0.000 3.227 118 G HA2 0.264 4.224 3.960 0.000 0.000 0.171 118 G HA3 0.264 4.224 3.960 0.000 0.000 0.171 118 G C 0.453 175.363 174.900 0.018 0.000 1.463 118 G CA 0.290 45.393 45.100 0.005 0.000 1.016 118 G HN 0.598 nan 8.290 nan 0.000 0.594 119 A N -1.140 121.690 122.820 0.016 0.000 2.239 119 A HA 0.312 4.632 4.320 0.000 0.000 0.209 119 A C 1.438 179.047 177.584 0.042 0.000 1.171 119 A CA 1.163 53.220 52.037 0.034 0.000 0.768 119 A CB -0.849 18.180 19.000 0.047 0.000 0.790 119 A HN 0.722 nan 8.150 nan 0.000 0.478 120 M N -1.763 117.859 119.600 0.037 0.000 2.751 120 M HA -0.236 4.244 4.480 0.000 0.000 0.199 120 M C 0.600 176.866 176.300 -0.057 0.000 0.550 120 M CA 0.919 56.219 55.300 -0.000 0.000 0.640 120 M CB -2.178 30.323 32.600 -0.166 0.000 2.351 120 M HN 0.605 nan 8.290 nan 0.000 0.613 121 H N -0.197 118.815 119.070 -0.096 0.000 2.548 121 H HA 0.187 4.743 4.556 0.000 0.000 0.268 121 H C 1.507 176.674 175.328 -0.268 0.000 0.975 121 H CA 1.050 56.971 56.048 -0.212 0.000 1.195 121 H CB 0.286 29.853 29.762 -0.325 0.000 1.397 121 H HN 0.558 nan 8.280 nan 0.000 0.572 122 G N -0.014 108.793 108.800 0.011 0.000 2.254 122 G HA2 -0.158 3.802 3.960 0.000 0.000 0.253 122 G HA3 -0.158 3.802 3.960 0.000 0.000 0.253 122 G C 0.519 175.486 174.900 0.111 0.000 1.246 122 G CA -0.470 44.682 45.100 0.086 0.000 0.946 122 G HN 0.443 nan 8.290 nan 0.000 0.474 123 W N 1.480 122.901 121.300 0.202 0.000 2.526 123 W HA 0.001 4.661 4.660 0.000 0.000 0.294 123 W C 1.121 177.694 176.519 0.090 0.000 1.181 123 W CA 0.494 57.973 57.345 0.223 0.000 1.373 123 W CB -0.374 29.273 29.460 0.312 0.000 1.112 123 W HN 0.328 nan 8.180 nan 0.000 0.545 124 T N 4.109 118.810 114.554 0.245 0.000 2.853 124 T HA 0.031 4.381 4.350 0.000 0.000 0.298 124 T C -1.843 172.669 174.700 -0.313 0.000 0.978 124 T CA -0.655 61.234 62.100 -0.350 0.000 1.152 124 T CB 1.011 69.849 68.868 -0.050 0.000 0.914 124 T HN -0.076 nan 8.240 nan 0.000 0.539 125 P HA 0.113 nan 4.420 nan 0.000 0.246 125 P C 0.334 177.547 177.300 -0.145 0.000 1.675 125 P CA 0.168 63.060 63.100 -0.346 0.000 0.908 125 P CB -0.347 31.059 31.700 -0.490 0.000 1.890 126 L N -0.896 120.296 121.223 -0.053 0.000 2.567 126 L HA 0.029 4.369 4.340 0.000 0.000 0.225 126 L C 2.001 178.858 176.870 -0.022 0.000 1.119 126 L CA 0.748 55.602 54.840 0.023 0.000 0.871 126 L CB -0.432 41.645 42.059 0.029 0.000 1.036 126 L HN 0.092 nan 8.230 nan 0.000 0.459 127 T N -0.842 113.669 114.554 -0.072 0.000 3.115 127 T HA 0.135 4.485 4.350 0.000 0.000 0.235 127 T C 0.398 174.991 174.700 -0.179 0.000 0.999 127 T CA 0.579 62.603 62.100 -0.128 0.000 1.276 127 T CB 0.380 69.131 68.868 -0.195 0.000 0.967 127 T HN 0.064 nan 8.240 nan 0.000 0.420 128 V N 0.121 119.856 119.914 -0.298 0.000 2.823 128 V HA 0.678 4.798 4.120 0.000 0.000 0.312 128 V C -1.183 174.815 176.094 -0.161 0.000 1.072 128 V CA -1.224 60.929 62.300 -0.245 0.000 0.937 128 V CB 2.267 33.866 31.823 -0.374 0.000 1.013 128 V HN 0.314 nan 8.190 nan 0.000 0.430 129 E N 1.467 121.613 120.200 -0.091 0.000 2.283 129 E HA 0.344 4.694 4.350 0.000 0.000 0.271 129 E C -0.607 175.971 176.600 -0.037 0.000 1.031 129 E CA -0.891 55.470 56.400 -0.065 0.000 0.868 129 E CB 1.808 31.491 29.700 -0.028 0.000 1.094 129 E HN 0.755 nan 8.360 nan 0.000 0.401 130 K N 0.675 121.065 120.400 -0.017 0.000 2.451 130 K HA 0.059 4.379 4.320 0.000 0.000 0.280 130 K C 0.713 177.319 176.600 0.011 0.000 1.020 130 K CA 0.923 57.218 56.287 0.013 0.000 1.008 130 K CB 0.077 32.597 32.500 0.033 0.000 0.917 130 K HN 0.716 nan 8.250 nan 0.000 0.478 131 G N 2.013 110.820 108.800 0.012 0.000 2.168 131 G HA2 -0.336 3.624 3.960 0.000 0.000 0.263 131 G HA3 -0.336 3.624 3.960 0.000 0.000 0.263 131 G C 0.199 175.101 174.900 0.003 0.000 0.977 131 G CA 0.321 45.427 45.100 0.010 0.000 0.659 131 G HN 0.953 nan 8.290 nan 0.000 0.533 132 A N -0.258 122.560 122.820 -0.003 0.000 2.351 132 A HA 0.573 4.893 4.320 0.000 0.000 0.257 132 A C 0.654 178.231 177.584 -0.012 0.000 1.087 132 A CA 0.143 52.177 52.037 -0.005 0.000 0.798 132 A CB 0.352 19.347 19.000 -0.009 0.000 1.033 132 A HN 0.560 nan 8.150 nan 0.000 0.488 133 N N 1.240 119.934 118.700 -0.010 0.000 2.411 133 N HA 0.177 4.917 4.740 0.000 0.000 0.259 133 N C 0.195 175.692 175.510 -0.022 0.000 1.103 133 N CA 0.213 53.254 53.050 -0.016 0.000 0.954 133 N CB 1.086 39.564 38.487 -0.014 0.000 1.085 133 N HN 0.630 nan 8.380 nan 0.000 0.485 134 V N 1.043 120.944 119.914 -0.023 0.000 3.043 134 V HA 0.285 4.405 4.120 0.000 0.000 0.357 134 V C 1.151 177.254 176.094 0.015 0.000 1.372 134 V CA -0.206 62.087 62.300 -0.012 0.000 1.214 134 V CB -0.338 31.477 31.823 -0.014 0.000 1.224 134 V HN 0.498 nan 8.190 nan 0.000 0.507 135 E N 1.306 121.506 120.200 0.000 0.000 2.153 135 E HA -0.081 4.269 4.350 0.000 0.000 0.194 135 E C 0.836 177.450 176.600 0.023 0.000 0.988 135 E CA 1.014 57.449 56.400 0.058 0.000 0.811 135 E CB 0.026 29.749 29.700 0.038 0.000 0.746 135 E HN 0.627 nan 8.360 nan 0.000 0.466 136 K N 1.081 121.349 120.400 -0.221 0.000 2.965 136 K HA 0.252 4.572 4.320 0.000 0.000 0.216 136 K C -1.053 175.320 176.600 -0.379 0.000 1.164 136 K CA -0.131 55.670 56.287 -0.810 0.000 1.153 136 K CB 1.158 33.164 32.500 -0.823 0.000 1.045 136 K HN -0.135 nan 8.250 nan 0.000 0.460 137 V N 1.830 121.778 119.914 0.057 0.000 2.709 137 V HA 0.421 4.541 4.120 0.000 0.000 0.308 137 V C -0.735 175.588 176.094 0.382 0.000 1.062 137 V CA -0.961 61.463 62.300 0.206 0.000 0.901 137 V CB 2.351 34.239 31.823 0.107 0.000 1.003 137 V HN 0.189 nan 8.190 nan 0.000 0.425 138 I N 5.157 125.965 120.570 0.396 0.000 2.418 138 I HA 0.460 4.630 4.170 0.000 0.000 0.287 138 I C -0.341 175.960 176.117 0.307 0.000 1.008 138 I CA -0.499 61.027 61.300 0.377 0.000 1.104 138 I CB 1.768 40.008 38.000 0.400 0.000 1.264 138 I HN 0.389 nan 8.210 nan 0.000 0.438 139 L N 5.255 126.643 121.223 0.274 0.000 2.275 139 L HA 0.587 4.927 4.340 0.000 0.000 0.288 139 L C 0.506 177.536 176.870 0.267 0.000 1.046 139 L CA -0.618 54.365 54.840 0.239 0.000 0.805 139 L CB 1.523 43.698 42.059 0.194 0.000 1.193 139 L HN 0.680 nan 8.230 nan 0.000 0.426 140 A N 2.448 125.451 122.820 0.305 0.000 2.322 140 A HA 0.219 4.539 4.320 0.000 0.000 0.327 140 A C -0.352 177.391 177.584 0.265 0.000 1.394 140 A CA -0.565 51.668 52.037 0.327 0.000 0.921 140 A CB 0.203 19.485 19.000 0.470 0.000 1.153 140 A HN 0.676 nan 8.150 nan 0.000 0.523 141 D N 3.242 123.758 120.400 0.194 0.000 2.363 141 D HA 0.059 4.699 4.640 0.000 0.000 0.263 141 D C 1.507 177.882 176.300 0.125 0.000 1.258 141 D CA 0.921 54.995 54.000 0.123 0.000 0.907 141 D CB 0.880 41.720 40.800 0.066 0.000 1.107 141 D HN 0.554 nan 8.370 nan 0.000 0.495 142 T N 0.875 115.498 114.554 0.114 0.000 3.067 142 T HA 0.002 4.352 4.350 0.000 0.000 0.257 142 T C 1.941 176.677 174.700 0.060 0.000 1.105 142 T CA 0.159 62.333 62.100 0.123 0.000 1.104 142 T CB -0.026 68.909 68.868 0.110 0.000 0.925 142 T HN 0.361 nan 8.240 nan 0.000 0.498 143 M N 1.226 120.835 119.600 0.016 0.000 2.419 143 M HA 0.018 4.499 4.480 0.000 0.000 0.264 143 M C 2.247 178.507 176.300 -0.067 0.000 1.082 143 M CA 0.960 56.250 55.300 -0.018 0.000 1.119 143 M CB -0.637 31.946 32.600 -0.029 0.000 1.398 143 M HN 0.289 nan 8.290 nan 0.000 0.453 144 T N -0.724 113.754 114.554 -0.127 0.000 2.708 144 T HA -0.129 4.221 4.350 0.000 0.000 0.266 144 T C 1.517 175.952 174.700 -0.442 0.000 1.037 144 T CA 1.251 63.151 62.100 -0.334 0.000 1.146 144 T CB -0.132 68.456 68.868 -0.466 0.000 0.865 144 T HN 0.437 nan 8.240 nan 0.000 0.435 145 H N -0.799 118.293 119.070 0.036 0.000 3.067 145 H HA 0.356 4.912 4.556 0.000 0.000 0.241 145 H C 0.764 176.116 175.328 0.041 0.000 0.961 145 H CA 0.030 56.099 56.048 0.035 0.000 1.123 145 H CB 0.169 29.955 29.762 0.039 0.000 1.448 145 H HN 0.225 nan 8.280 nan 0.000 0.457 146 L N 3.819 125.139 121.223 0.161 0.000 2.727 146 L HA 0.098 4.438 4.340 0.000 0.000 0.237 146 L C 0.164 177.086 176.870 0.085 0.000 1.370 146 L CA -0.046 54.868 54.840 0.124 0.000 1.248 146 L CB -0.560 41.585 42.059 0.143 0.000 1.556 146 L HN 0.264 nan 8.230 nan 0.000 0.420 147 N N -1.139 117.604 118.700 0.070 0.000 2.299 147 N HA 0.092 4.832 4.740 0.000 0.000 0.246 147 N C 0.451 175.984 175.510 0.039 0.000 1.254 147 N CA -0.334 52.743 53.050 0.045 0.000 0.879 147 N CB 0.535 39.037 38.487 0.025 0.000 1.214 147 N HN 0.157 nan 8.380 nan 0.000 0.510 148 G N 0.473 109.301 108.800 0.047 0.000 2.491 148 G HA2 0.512 4.472 3.960 0.000 0.000 0.242 148 G HA3 0.512 4.472 3.960 0.000 0.000 0.242 148 G C -0.525 174.392 174.900 0.029 0.000 1.266 148 G CA -0.307 44.814 45.100 0.036 0.000 0.844 148 G HN 0.320 nan 8.290 nan 0.000 0.571 149 I N 0.920 121.501 120.570 0.019 0.000 2.534 149 I HA 0.381 4.552 4.170 0.000 0.000 0.288 149 I C -0.262 175.858 176.117 0.004 0.000 1.077 149 I CA -0.689 60.618 61.300 0.011 0.000 1.051 149 I CB 2.702 40.701 38.000 -0.001 0.000 1.234 149 I HN 0.637 nan 8.210 nan 0.000 0.425 150 T N 2.748 117.301 114.554 -0.003 0.000 2.916 150 T HA 0.722 5.072 4.350 0.000 0.000 0.298 150 T C -0.831 173.839 174.700 -0.049 0.000 1.031 150 T CA -0.720 61.369 62.100 -0.019 0.000 0.993 150 T CB 1.866 70.726 68.868 -0.013 0.000 1.045 150 T HN 0.161 nan 8.240 nan 0.000 0.454 151 V N 3.700 123.550 119.914 -0.108 0.000 2.435 151 V HA 0.558 4.678 4.120 0.000 0.000 0.290 151 V C -0.106 175.859 176.094 -0.215 0.000 1.030 151 V CA -0.916 61.268 62.300 -0.192 0.000 0.881 151 V CB 1.542 33.144 31.823 -0.369 0.000 0.983 151 V HN 0.979 nan 8.190 nan 0.000 0.445 152 N N 2.710 121.323 118.700 -0.146 0.000 2.511 152 N HA 0.159 4.899 4.740 0.000 0.000 0.249 152 N C 0.975 176.416 175.510 -0.114 0.000 0.971 152 N CA 0.086 53.069 53.050 -0.112 0.000 0.938 152 N CB 1.984 40.438 38.487 -0.056 0.000 1.131 152 N HN 0.815 nan 8.380 nan 0.000 0.505 153 T N -0.430 114.041 114.554 -0.139 0.000 3.067 153 T HA 0.156 4.506 4.350 0.000 0.000 0.261 153 T C 1.079 175.749 174.700 -0.050 0.000 1.110 153 T CA 0.164 62.205 62.100 -0.099 0.000 1.113 153 T CB -0.006 68.805 68.868 -0.095 0.000 0.917 153 T HN 0.319 nan 8.240 nan 0.000 0.499 154 G N 0.007 108.782 108.800 -0.043 0.000 2.563 154 G HA2 0.543 4.503 3.960 0.000 0.000 0.283 154 G HA3 0.543 4.503 3.960 0.000 0.000 0.283 154 G C 0.434 175.323 174.900 -0.017 0.000 1.309 154 G CA -0.184 44.901 45.100 -0.024 0.000 1.022 154 G HN 1.131 nan 8.290 nan 0.000 0.501 155 G N -0.951 107.843 108.800 -0.011 0.000 2.757 155 G HA2 -0.039 3.921 3.960 0.000 0.000 0.638 155 G HA3 -0.039 3.921 3.960 0.000 0.000 0.638 155 G C -0.779 174.119 174.900 -0.004 0.000 1.344 155 G CA 0.107 45.204 45.100 -0.006 0.000 0.855 155 G HN 0.771 nan 8.290 nan 0.000 0.537 156 P HA 0.168 nan 4.420 nan 0.000 0.222 156 P C 0.590 177.889 177.300 -0.002 0.000 1.147 156 P CA 1.790 64.890 63.100 0.000 0.000 0.790 156 P CB 0.320 32.022 31.700 0.003 0.000 0.780 157 V N -0.811 119.103 119.914 -0.001 0.000 2.777 157 V HA 0.639 4.759 4.120 0.000 0.000 0.306 157 V C -0.932 175.163 176.094 0.001 0.000 1.112 157 V CA -0.971 61.328 62.300 -0.001 0.000 0.917 157 V CB 1.832 33.658 31.823 0.006 0.000 1.018 157 V HN 0.223 nan 8.190 nan 0.000 0.426 158 A N 4.516 127.335 122.820 -0.002 0.000 2.425 158 A HA 0.796 5.116 4.320 0.000 0.000 0.242 158 A C 0.441 178.037 177.584 0.020 0.000 1.077 158 A CA 0.638 52.670 52.037 -0.007 0.000 0.781 158 A CB 0.432 19.420 19.000 -0.020 0.000 1.020 158 A HN 1.657 nan 8.150 nan 0.000 0.494 159 T N -2.328 112.232 114.554 0.010 0.000 2.841 159 T HA 0.619 4.970 4.350 0.000 0.000 0.296 159 T C -0.963 173.752 174.700 0.025 0.000 1.166 159 T CA -0.405 61.723 62.100 0.046 0.000 1.007 159 T CB 1.172 70.064 68.868 0.041 0.000 1.253 159 T HN 1.739 nan 8.240 nan 0.000 0.511 160 V N 0.829 120.786 119.914 0.071 0.000 2.686 160 V HA 0.686 4.806 4.120 0.000 0.000 0.306 160 V C -0.951 175.186 176.094 0.072 0.000 1.065 160 V CA -0.229 62.096 62.300 0.041 0.000 0.894 160 V CB 2.094 33.931 31.823 0.025 0.000 1.004 160 V HN 1.222 nan 8.190 nan 0.000 0.424 161 T N 6.364 120.942 114.554 0.040 0.000 2.767 161 T HA 0.842 5.192 4.350 0.000 0.000 0.284 161 T C -0.227 174.503 174.700 0.050 0.000 0.973 161 T CA 0.129 62.259 62.100 0.050 0.000 0.996 161 T CB 1.336 70.224 68.868 0.032 0.000 0.927 161 T HN 1.249 nan 8.240 nan 0.000 0.456 162 A N 2.295 125.155 122.820 0.067 0.000 2.515 162 A HA 0.852 5.172 4.320 0.000 0.000 0.298 162 A C 0.321 177.945 177.584 0.066 0.000 1.059 162 A CA -0.813 51.262 52.037 0.063 0.000 0.698 162 A CB 1.291 20.338 19.000 0.077 0.000 1.289 162 A HN 0.963 nan 8.150 nan 0.000 0.404 163 G N -0.025 108.811 108.800 0.060 0.000 2.491 163 G HA2 0.507 4.467 3.960 0.000 0.000 0.242 163 G HA3 0.507 4.467 3.960 0.000 0.000 0.242 163 G C 1.060 176.001 174.900 0.067 0.000 1.266 163 G CA 0.277 45.419 45.100 0.069 0.000 0.844 163 G HN 1.725 nan 8.290 nan 0.000 0.571 164 A N 1.210 124.074 122.820 0.074 0.000 2.178 164 A HA 0.098 4.418 4.320 0.000 0.000 0.218 164 A C 2.302 179.905 177.584 0.032 0.000 1.157 164 A CA 1.857 53.923 52.037 0.049 0.000 0.689 164 A CB -0.182 18.844 19.000 0.044 0.000 0.787 164 A HN 1.023 nan 8.150 nan 0.000 0.465 165 G N -1.207 107.621 108.800 0.047 0.000 3.042 165 G HA2 0.410 4.370 3.960 0.000 0.000 0.212 165 G HA3 0.410 4.370 3.960 0.000 0.000 0.212 165 G C 0.615 175.525 174.900 0.017 0.000 1.166 165 G CA 0.531 45.648 45.100 0.030 0.000 0.767 165 G HN 0.731 nan 8.290 nan 0.000 0.546 166 A N 0.946 123.782 122.820 0.026 0.000 2.425 166 A HA 0.563 4.883 4.320 0.000 0.000 0.249 166 A C 0.965 178.556 177.584 0.011 0.000 1.084 166 A CA 0.203 52.250 52.037 0.017 0.000 0.781 166 A CB 0.321 19.337 19.000 0.028 0.000 1.019 166 A HN 0.737 nan 8.150 nan 0.000 0.490 167 S N 1.775 117.468 115.700 -0.011 0.000 2.592 167 S HA 0.314 4.784 4.470 0.000 0.000 0.271 167 S C 1.143 175.742 174.600 -0.001 0.000 1.326 167 S CA 0.018 58.201 58.200 -0.029 0.000 1.024 167 S CB 0.387 63.545 63.200 -0.070 0.000 0.921 167 S HN 1.049 nan 8.310 nan 0.000 0.527 168 I N -1.272 119.311 120.570 0.021 0.000 2.493 168 I HA -0.063 4.107 4.170 0.000 0.000 0.254 168 I C 2.235 178.411 176.117 0.097 0.000 1.160 168 I CA 1.565 62.945 61.300 0.133 0.000 1.445 168 I CB -0.466 37.691 38.000 0.261 0.000 1.086 168 I HN 0.865 nan 8.210 nan 0.000 0.433 169 E N 1.940 122.106 120.200 -0.056 0.000 2.072 169 E HA -0.190 4.160 4.350 0.000 0.000 0.191 169 E C 2.349 178.945 176.600 -0.007 0.000 0.985 169 E CA 1.303 57.673 56.400 -0.051 0.000 0.801 169 E CB -0.086 29.447 29.700 -0.277 0.000 0.750 169 E HN 0.612 nan 8.360 nan 0.000 0.452 170 A N 1.073 123.869 122.820 -0.041 0.000 1.902 170 A HA -0.178 4.143 4.320 0.000 0.000 0.217 170 A C 2.146 179.691 177.584 -0.064 0.000 1.181 170 A CA 1.397 53.409 52.037 -0.042 0.000 0.623 170 A CB -0.640 18.340 19.000 -0.034 0.000 0.818 170 A HN 0.331 nan 8.150 nan 0.000 0.443 171 I N 0.244 120.766 120.570 -0.079 0.000 2.142 171 I HA -0.234 3.936 4.170 0.000 0.000 0.240 171 I C 2.476 178.409 176.117 -0.306 0.000 1.078 171 I CA 1.736 62.938 61.300 -0.164 0.000 1.343 171 I CB -0.396 37.510 38.000 -0.157 0.000 1.046 171 I HN 0.336 nan 8.210 nan 0.000 0.405 172 V N -2.668 117.037 119.914 -0.347 0.000 2.809 172 V HA -0.146 3.974 4.120 0.000 0.000 0.256 172 V C 2.158 178.101 176.094 -0.251 0.000 1.080 172 V CA 1.894 63.942 62.300 -0.420 0.000 1.102 172 V CB -1.233 30.373 31.823 -0.362 0.000 0.705 172 V HN 0.355 nan 8.190 nan 0.000 0.475 173 T N 0.275 114.744 114.554 -0.142 0.000 2.812 173 T HA -0.075 4.275 4.350 0.000 0.000 0.264 173 T C 1.885 176.501 174.700 -0.140 0.000 1.042 173 T CA 1.675 63.705 62.100 -0.117 0.000 1.140 173 T CB -0.248 68.584 68.868 -0.060 0.000 0.870 173 T HN 0.530 nan 8.240 nan 0.000 0.445 174 E N 1.207 121.335 120.200 -0.120 0.000 2.106 174 E HA 0.022 4.372 4.350 0.000 0.000 0.192 174 E C 2.328 178.899 176.600 -0.048 0.000 0.984 174 E CA 0.608 56.966 56.400 -0.071 0.000 0.806 174 E CB -0.430 29.248 29.700 -0.037 0.000 0.750 174 E HN 0.459 nan 8.360 nan 0.000 0.458 175 L N 0.747 121.882 121.223 -0.146 0.000 2.042 175 L HA -0.225 4.115 4.340 0.000 0.000 0.210 175 L C 2.826 179.587 176.870 -0.182 0.000 1.076 175 L CA 1.350 56.095 54.840 -0.157 0.000 0.749 175 L CB -0.459 41.399 42.059 -0.335 0.000 0.893 175 L HN 0.183 nan 8.230 nan 0.000 0.432 176 Q N 0.677 120.313 119.800 -0.274 0.000 2.181 176 Q HA -0.246 4.094 4.340 0.000 0.000 0.205 176 Q C 2.023 177.793 176.000 -0.383 0.000 0.980 176 Q CA 1.574 57.141 55.803 -0.393 0.000 0.862 176 Q CB 0.088 28.581 28.738 -0.409 0.000 0.905 176 Q HN 0.422 nan 8.270 nan 0.000 0.429 177 K N -0.729 119.480 120.400 -0.318 0.000 2.360 177 K HA -0.114 4.206 4.320 0.000 0.000 0.201 177 K C 0.791 177.054 176.600 -0.562 0.000 1.046 177 K CA 0.803 56.840 56.287 -0.418 0.000 0.945 177 K CB 0.091 32.323 32.500 -0.446 0.000 0.750 177 K HN 0.387 nan 8.250 nan 0.000 0.464 178 H N -0.174 118.788 119.070 -0.180 0.000 2.486 178 H HA 0.035 4.591 4.556 0.000 0.000 0.284 178 H C -0.468 174.764 175.328 -0.160 0.000 1.103 178 H CA -0.094 55.869 56.048 -0.141 0.000 1.089 178 H CB 0.339 30.035 29.762 -0.111 0.000 1.603 178 H HN 0.175 nan 8.280 nan 0.000 0.557 179 D N 0.991 121.278 120.400 -0.189 0.000 2.723 179 D HA -0.174 4.466 4.640 0.000 0.000 0.236 179 D C -0.855 175.355 176.300 -0.150 0.000 1.138 179 D CA 0.401 54.258 54.000 -0.238 0.000 0.676 179 D CB -1.259 39.460 40.800 -0.134 0.000 1.069 179 D HN 0.377 nan 8.370 nan 0.000 0.430 180 L N -1.081 120.049 121.223 -0.155 0.000 2.309 180 L HA 0.954 5.294 4.340 0.000 0.000 0.261 180 L C 1.071 177.858 176.870 -0.139 0.000 1.021 180 L CA -0.297 54.492 54.840 -0.086 0.000 0.823 180 L CB 2.348 44.372 42.059 -0.059 0.000 1.366 180 L HN 0.148 nan 8.230 nan 0.000 0.423 181 G N -0.833 107.957 108.800 -0.017 0.000 2.441 181 G HA2 0.436 4.396 3.960 0.000 0.000 0.294 181 G HA3 0.436 4.396 3.960 0.000 0.000 0.294 181 G C -2.702 172.325 174.900 0.211 0.000 1.393 181 G CA -0.530 44.516 45.100 -0.091 0.000 0.796 181 G HN 0.281 nan 8.290 nan 0.000 0.494 182 W N -0.191 121.088 121.300 -0.035 0.000 2.627 182 W HA 0.667 5.327 4.660 0.000 0.000 0.339 182 W C 0.746 177.129 176.519 -0.227 0.000 1.058 182 W CA -0.391 56.909 57.345 -0.075 0.000 1.223 182 W CB 1.913 31.323 29.460 -0.084 0.000 1.389 182 W HN 0.815 nan 8.180 nan 0.000 0.541 183 A N 2.154 124.859 122.820 -0.191 0.000 2.021 183 A HA -0.060 4.260 4.320 0.000 0.000 0.216 183 A C 0.772 178.271 177.584 -0.141 0.000 1.163 183 A CA 1.009 52.877 52.037 -0.281 0.000 0.676 183 A CB -0.201 18.299 19.000 -0.834 0.000 0.818 183 A HN 0.447 nan 8.150 nan 0.000 0.453 184 N N 0.266 118.882 118.700 -0.140 0.000 2.841 184 N HA 0.407 5.147 4.740 0.000 0.000 0.257 184 N C -1.241 174.225 175.510 -0.074 0.000 1.396 184 N CA -0.231 52.771 53.050 -0.081 0.000 0.823 184 N CB -0.023 38.448 38.487 -0.027 0.000 1.162 184 N HN 0.212 nan 8.380 nan 0.000 0.503 185 L N 1.969 123.126 121.223 -0.109 0.000 2.350 185 L HA 0.547 4.887 4.340 0.000 0.000 0.275 185 L C -1.807 175.013 176.870 -0.083 0.000 1.099 185 L CA -1.821 52.968 54.840 -0.085 0.000 0.808 185 L CB 0.964 42.862 42.059 -0.269 0.000 1.149 185 L HN 0.257 nan 8.230 nan 0.000 0.442 186 P HA 0.049 nan 4.420 nan 0.000 0.272 186 P C -0.010 177.276 177.300 -0.022 0.000 1.230 186 P CA -0.120 62.916 63.100 -0.108 0.000 0.788 186 P CB 0.915 32.553 31.700 -0.104 0.000 0.949 187 A N 3.795 126.505 122.820 -0.183 0.000 1.933 187 A HA -0.003 4.317 4.320 0.000 0.000 0.218 187 A C -1.320 176.152 177.584 -0.188 0.000 1.175 187 A CA 1.535 53.345 52.037 -0.378 0.000 0.628 187 A CB -1.908 16.646 19.000 -0.744 0.000 0.814 187 A HN 0.501 nan 8.150 nan 0.000 0.444 188 P HA 0.307 nan 4.420 nan 0.000 0.303 188 P C 0.389 177.454 177.300 -0.392 0.000 1.350 188 P CA 0.019 62.971 63.100 -0.246 0.000 0.880 188 P CB 1.470 32.922 31.700 -0.414 0.000 1.018 189 G N 2.116 110.514 108.800 -0.669 0.000 2.813 189 G HA2 -0.089 3.871 3.960 0.000 0.000 0.209 189 G HA3 -0.089 3.871 3.960 0.000 0.000 0.209 189 G C 1.188 175.804 174.900 -0.473 0.000 1.150 189 G CA 0.114 44.576 45.100 -1.063 0.000 0.785 189 G HN 0.441 nan 8.290 nan 0.000 0.535 190 V N 0.960 120.658 119.914 -0.361 0.000 2.759 190 V HA 0.182 4.302 4.120 0.000 0.000 0.256 190 V C 1.337 177.303 176.094 -0.214 0.000 1.080 190 V CA 0.238 62.384 62.300 -0.256 0.000 1.101 190 V CB -0.379 31.305 31.823 -0.232 0.000 0.698 190 V HN 0.256 nan 8.190 nan 0.000 0.477 191 L N 2.037 123.104 121.223 -0.260 0.000 2.525 191 L HA 0.119 4.459 4.340 0.000 0.000 0.278 191 L C 0.899 177.718 176.870 -0.085 0.000 1.218 191 L CA 0.602 55.334 54.840 -0.179 0.000 0.878 191 L CB 0.161 42.112 42.059 -0.180 0.000 1.127 191 L HN 0.414 nan 8.230 nan 0.000 0.492 192 S N 2.154 117.822 115.700 -0.053 0.000 2.580 192 S HA 0.116 4.586 4.470 0.000 0.000 0.274 192 S C 0.868 175.465 174.600 -0.005 0.000 1.329 192 S CA -0.752 57.434 58.200 -0.023 0.000 1.036 192 S CB 1.393 64.580 63.200 -0.022 0.000 0.919 192 S HN 0.561 nan 8.310 nan 0.000 0.515 193 I N 3.105 123.691 120.570 0.026 0.000 2.286 193 I HA 0.074 4.244 4.170 0.000 0.000 0.248 193 I C 2.165 178.286 176.117 0.007 0.000 1.115 193 I CA 1.806 63.136 61.300 0.050 0.000 1.392 193 I CB -1.180 36.883 38.000 0.105 0.000 1.065 193 I HN 0.927 nan 8.210 nan 0.000 0.418 194 G N -0.245 108.546 108.800 -0.015 0.000 2.422 194 G HA2 -0.190 3.770 3.960 0.000 0.000 0.218 194 G HA3 -0.190 3.770 3.960 0.000 0.000 0.218 194 G C 1.689 176.546 174.900 -0.071 0.000 1.146 194 G CA 0.589 45.655 45.100 -0.056 0.000 0.769 194 G HN 0.550 nan 8.290 nan 0.000 0.547 195 G N 0.775 109.542 108.800 -0.056 0.000 2.421 195 G HA2 0.144 4.104 3.960 0.000 0.000 0.217 195 G HA3 0.144 4.104 3.960 0.000 0.000 0.217 195 G C 1.958 176.841 174.900 -0.027 0.000 1.143 195 G CA 1.378 46.452 45.100 -0.045 0.000 0.784 195 G HN 0.606 nan 8.290 nan 0.000 0.541 196 A N 0.624 123.428 122.820 -0.027 0.000 1.897 196 A HA 0.198 4.518 4.320 0.000 0.000 0.215 196 A C 2.380 179.951 177.584 -0.022 0.000 1.181 196 A CA 0.921 52.944 52.037 -0.024 0.000 0.620 196 A CB -0.355 18.634 19.000 -0.019 0.000 0.821 196 A HN 0.321 nan 8.150 nan 0.000 0.443 197 L N -0.580 120.623 121.223 -0.034 0.000 2.083 197 L HA -0.179 4.161 4.340 0.000 0.000 0.209 197 L C 3.030 179.874 176.870 -0.043 0.000 1.083 197 L CA 0.922 55.737 54.840 -0.042 0.000 0.752 197 L CB -0.569 41.461 42.059 -0.050 0.000 0.899 197 L HN 0.428 nan 8.230 nan 0.000 0.433 198 A N 0.040 122.823 122.820 -0.062 0.000 2.032 198 A HA -0.146 4.174 4.320 0.000 0.000 0.221 198 A C 1.827 179.362 177.584 -0.082 0.000 1.165 198 A CA 2.005 53.983 52.037 -0.097 0.000 0.645 198 A CB -0.595 18.341 19.000 -0.107 0.000 0.807 198 A HN 0.386 nan 8.150 nan 0.000 0.453 199 V N -3.083 116.841 119.914 0.016 0.000 3.070 199 V HA 0.208 4.328 4.120 0.000 0.000 0.345 199 V C 0.193 176.418 176.094 0.220 0.000 1.403 199 V CA 0.040 62.423 62.300 0.138 0.000 1.155 199 V CB -1.464 30.493 31.823 0.223 0.000 1.140 199 V HN 0.847 nan 8.190 nan 0.000 0.505 200 N N 0.161 118.943 118.700 0.136 0.000 2.725 200 N HA -0.231 4.509 4.740 0.000 0.000 0.251 200 N C 0.225 175.817 175.510 0.136 0.000 1.031 200 N CA 0.684 53.823 53.050 0.148 0.000 0.720 200 N CB -1.628 37.001 38.487 0.236 0.000 0.930 200 N HN 1.298 nan 8.380 nan 0.000 0.543 201 A N 0.704 123.552 122.820 0.045 0.000 2.586 201 A HA 0.303 4.623 4.320 0.000 0.000 0.231 201 A C 0.570 178.117 177.584 -0.062 0.000 1.055 201 A CA 1.192 53.194 52.037 -0.058 0.000 0.756 201 A CB -0.056 18.894 19.000 -0.084 0.000 0.988 201 A HN 1.031 nan 8.150 nan 0.000 0.509 202 H N -1.500 117.452 119.070 -0.196 0.000 2.960 202 H HA 0.764 5.320 4.556 0.000 0.000 0.323 202 H C 0.085 175.285 175.328 -0.214 0.000 1.326 202 H CA -0.390 55.540 56.048 -0.197 0.000 1.124 202 H CB 0.639 30.255 29.762 -0.243 0.000 1.853 202 H HN 0.855 nan 8.280 nan 0.000 0.536 203 G N -1.084 107.688 108.800 -0.046 0.000 3.135 203 G HA2 0.535 4.495 3.960 0.000 0.000 0.159 203 G HA3 0.535 4.495 3.960 0.000 0.000 0.159 203 G C -0.483 174.469 174.900 0.087 0.000 1.244 203 G CA -0.739 44.313 45.100 -0.080 0.000 0.965 203 G HN 1.075 nan 8.290 nan 0.000 0.599 204 A N -0.909 121.897 122.820 -0.022 0.000 2.637 204 A HA 0.737 5.058 4.320 0.000 0.000 0.293 204 A C 0.673 178.287 177.584 0.051 0.000 1.216 204 A CA 0.636 52.724 52.037 0.084 0.000 0.956 204 A CB -0.458 18.608 19.000 0.109 0.000 1.174 204 A HN 1.306 nan 8.150 nan 0.000 0.525 205 A N 0.315 123.170 122.820 0.059 0.000 2.309 205 A HA 0.788 5.108 4.320 0.000 0.000 0.298 205 A C -0.478 177.242 177.584 0.226 0.000 1.165 205 A CA -0.153 51.967 52.037 0.139 0.000 0.821 205 A CB 0.458 19.566 19.000 0.179 0.000 1.102 205 A HN 0.492 nan 8.150 nan 0.000 0.500 206 L N 3.007 124.253 121.223 0.038 0.000 2.465 206 L HA 0.512 4.852 4.340 0.000 0.000 0.257 206 L C -2.475 174.072 176.870 -0.538 0.000 0.988 206 L CA -2.097 52.577 54.840 -0.275 0.000 0.827 206 L CB 3.403 45.417 42.059 -0.076 0.000 1.397 206 L HN 0.528 nan 8.230 nan 0.000 0.410 207 P HA 0.226 nan 4.420 nan 0.000 0.278 207 P C -0.834 176.336 177.300 -0.217 0.000 1.238 207 P CA -0.311 62.454 63.100 -0.559 0.000 0.794 207 P CB 1.527 32.890 31.700 -0.563 0.000 0.955 208 A N 3.291 126.055 122.820 -0.093 0.000 2.366 208 A HA 0.209 4.529 4.320 0.000 0.000 0.250 208 A C 0.308 177.876 177.584 -0.027 0.000 1.099 208 A CA -0.454 51.569 52.037 -0.023 0.000 0.794 208 A CB -0.253 18.760 19.000 0.021 0.000 1.056 208 A HN 0.415 nan 8.150 nan 0.000 0.499 209 V N 1.050 120.962 119.914 -0.004 0.000 2.617 209 V HA 0.368 4.488 4.120 0.000 0.000 0.304 209 V C 1.641 177.737 176.094 0.002 0.000 1.040 209 V CA 1.841 64.139 62.300 -0.002 0.000 1.149 209 V CB -0.053 31.774 31.823 0.006 0.000 0.914 209 V HN 1.966 nan 8.190 nan 0.000 0.487 210 G N 3.442 112.243 108.800 0.001 0.000 2.179 210 G HA2 -0.276 3.684 3.960 0.000 0.000 0.260 210 G HA3 -0.276 3.684 3.960 0.000 0.000 0.260 210 G C 0.279 175.186 174.900 0.011 0.000 0.977 210 G CA 0.445 45.550 45.100 0.009 0.000 0.641 210 G HN 0.749 nan 8.290 nan 0.000 0.533 211 Q N 1.614 121.414 119.800 0.000 0.000 2.274 211 Q HA 0.528 4.868 4.340 0.000 0.000 0.256 211 Q C 0.749 176.758 176.000 0.016 0.000 0.927 211 Q CA 0.226 56.032 55.803 0.006 0.000 0.939 211 Q CB 0.637 29.367 28.738 -0.013 0.000 1.201 211 Q HN 0.482 nan 8.270 nan 0.000 0.426 212 T N 0.528 115.106 114.554 0.041 0.000 2.913 212 T HA 0.296 4.646 4.350 0.000 0.000 0.287 212 T C 0.066 174.835 174.700 0.114 0.000 1.008 212 T CA -0.715 61.423 62.100 0.063 0.000 1.067 212 T CB 1.333 70.234 68.868 0.054 0.000 0.996 212 T HN 0.447 nan 8.240 nan 0.000 0.513 213 T N 3.821 118.468 114.554 0.155 0.000 2.723 213 T HA 0.313 4.663 4.350 0.000 0.000 0.297 213 T C 0.544 175.327 174.700 0.138 0.000 0.925 213 T CA -0.515 61.730 62.100 0.242 0.000 1.030 213 T CB -0.309 68.724 68.868 0.276 0.000 0.905 213 T HN 0.432 nan 8.240 nan 0.000 0.502 214 L N 5.475 126.777 121.223 0.132 0.000 2.514 214 L HA 0.158 4.498 4.340 0.000 0.000 0.280 214 L C -1.855 174.984 176.870 -0.051 0.000 1.223 214 L CA -1.790 53.067 54.840 0.028 0.000 0.864 214 L CB -0.293 41.768 42.059 0.003 0.000 1.118 214 L HN 0.305 nan 8.230 nan 0.000 0.494 215 P HA -0.008 nan 4.420 nan 0.000 0.260 215 P C 0.743 177.975 177.300 -0.114 0.000 1.185 215 P CA 1.102 64.170 63.100 -0.054 0.000 0.763 215 P CB 0.630 32.310 31.700 -0.033 0.000 0.776 216 G N 1.919 110.684 108.800 -0.059 0.000 2.284 216 G HA2 -0.185 3.775 3.960 0.000 0.000 0.216 216 G HA3 -0.185 3.775 3.960 0.000 0.000 0.216 216 G C 0.093 175.012 174.900 0.032 0.000 1.009 216 G CA -0.375 44.703 45.100 -0.038 0.000 0.625 216 G HN 0.616 nan 8.290 nan 0.000 0.501 217 H N 0.456 119.525 119.070 -0.002 0.000 2.547 217 H HA 0.629 5.185 4.556 0.000 0.000 0.362 217 H C 0.014 175.250 175.328 -0.154 0.000 1.181 217 H CA 0.588 56.587 56.048 -0.081 0.000 1.376 217 H CB 1.696 31.370 29.762 -0.145 0.000 1.488 217 H HN 0.182 nan 8.280 nan 0.000 0.583 218 T N 0.981 115.458 114.554 -0.129 0.000 2.923 218 T HA 0.192 4.542 4.350 0.000 0.000 0.311 218 T C -0.664 173.835 174.700 -0.335 0.000 1.183 218 T CA -0.543 61.465 62.100 -0.153 0.000 1.020 218 T CB 0.680 69.500 68.868 -0.080 0.000 1.165 218 T HN 0.529 nan 8.240 nan 0.000 0.482 219 Y N 1.824 122.141 120.300 0.028 0.000 2.458 219 Y HA 0.380 4.930 4.550 0.000 0.000 0.256 219 Y C 1.685 177.613 175.900 0.046 0.000 1.159 219 Y CA -0.251 57.864 58.100 0.026 0.000 1.261 219 Y CB 0.545 39.023 38.460 0.031 0.000 1.119 219 Y HN 0.746 nan 8.280 nan 0.000 0.524 220 G N 0.012 108.881 108.800 0.115 0.000 2.531 220 G HA2 0.283 4.243 3.960 0.000 0.000 0.253 220 G HA3 0.283 4.243 3.960 0.000 0.000 0.253 220 G C 0.005 174.950 174.900 0.075 0.000 1.439 220 G CA -0.240 44.926 45.100 0.110 0.000 1.056 220 G HN 0.209 nan 8.290 nan 0.000 0.555 221 S N -1.296 114.452 115.700 0.079 0.000 2.624 221 S HA 0.211 4.681 4.470 0.000 0.000 0.263 221 S C 1.468 176.028 174.600 -0.067 0.000 1.287 221 S CA -0.601 57.631 58.200 0.054 0.000 0.990 221 S CB 1.016 64.278 63.200 0.103 0.000 0.950 221 S HN 0.374 nan 8.310 nan 0.000 0.561 222 L N 1.137 122.284 121.223 -0.127 0.000 2.265 222 L HA -0.078 4.262 4.340 0.000 0.000 0.215 222 L C 2.673 179.411 176.870 -0.220 0.000 1.117 222 L CA 0.939 55.606 54.840 -0.288 0.000 0.782 222 L CB -0.765 41.105 42.059 -0.315 0.000 0.914 222 L HN 0.750 nan 8.230 nan 0.000 0.441 223 S N -0.103 115.535 115.700 -0.103 0.000 2.442 223 S HA -0.161 4.309 4.470 0.000 0.000 0.236 223 S C 1.666 176.229 174.600 -0.062 0.000 1.007 223 S CA 1.182 59.342 58.200 -0.066 0.000 0.965 223 S CB -0.336 62.857 63.200 -0.013 0.000 0.773 223 S HN 0.442 nan 8.310 nan 0.000 0.504 224 N N 1.181 119.843 118.700 -0.065 0.000 2.494 224 N HA 0.101 4.841 4.740 0.000 0.000 0.182 224 N C 1.096 176.563 175.510 -0.073 0.000 1.076 224 N CA 0.450 53.472 53.050 -0.046 0.000 0.908 224 N CB -0.234 38.239 38.487 -0.023 0.000 0.967 224 N HN 0.371 nan 8.380 nan 0.000 0.449 225 L N -0.378 120.762 121.223 -0.138 0.000 2.558 225 L HA 0.187 4.527 4.340 0.000 0.000 0.225 225 L C 0.034 176.858 176.870 -0.076 0.000 1.128 225 L CA -0.146 54.607 54.840 -0.145 0.000 0.868 225 L CB 0.124 41.990 42.059 -0.322 0.000 1.006 225 L HN -0.101 nan 8.230 nan 0.000 0.454 226 V N 0.839 120.717 119.914 -0.060 0.000 2.529 226 V HA -0.049 4.071 4.120 0.000 0.000 0.292 226 V C 1.544 177.642 176.094 0.006 0.000 1.028 226 V CA 0.937 63.226 62.300 -0.018 0.000 1.074 226 V CB 0.905 32.718 31.823 -0.017 0.000 0.958 226 V HN 0.449 nan 8.190 nan 0.000 0.481 227 T N 0.788 115.357 114.554 0.025 0.000 2.990 227 T HA 0.268 4.618 4.350 0.000 0.000 0.249 227 T C 0.357 175.082 174.700 0.043 0.000 1.039 227 T CA 0.168 62.286 62.100 0.031 0.000 1.036 227 T CB 0.495 69.382 68.868 0.033 0.000 0.994 227 T HN 0.668 nan 8.240 nan 0.000 0.489 228 E N 0.100 120.331 120.200 0.051 0.000 2.388 228 E HA 0.485 4.835 4.350 0.000 0.000 0.281 228 E C -2.301 174.346 176.600 0.079 0.000 1.046 228 E CA -1.053 55.389 56.400 0.070 0.000 0.825 228 E CB 1.918 31.653 29.700 0.058 0.000 1.243 228 E HN 0.292 nan 8.360 nan 0.000 0.438 229 L N -0.709 120.584 121.223 0.116 0.000 2.506 229 L HA 0.724 5.064 4.340 0.000 0.000 0.257 229 L C -1.177 175.798 176.870 0.174 0.000 0.964 229 L CA -0.404 54.507 54.840 0.118 0.000 0.836 229 L CB 1.875 43.986 42.059 0.085 0.000 1.384 229 L HN 0.346 nan 8.230 nan 0.000 0.410 230 T N 1.427 116.065 114.554 0.140 0.000 2.807 230 T HA 0.962 5.312 4.350 0.000 0.000 0.279 230 T C -0.365 174.429 174.700 0.157 0.000 0.993 230 T CA 0.020 62.206 62.100 0.144 0.000 0.970 230 T CB 1.579 70.501 68.868 0.090 0.000 0.950 230 T HN 1.085 nan 8.240 nan 0.000 0.441 231 A N 2.122 125.058 122.820 0.194 0.000 2.569 231 A HA 0.814 5.134 4.320 0.000 0.000 0.290 231 A C -0.993 176.689 177.584 0.163 0.000 1.136 231 A CA -0.706 51.434 52.037 0.172 0.000 0.710 231 A CB 1.293 20.398 19.000 0.174 0.000 1.303 231 A HN 0.618 nan 8.150 nan 0.000 0.413 232 V N 1.680 121.667 119.914 0.121 0.000 2.368 232 V HA 0.488 4.608 4.120 0.000 0.000 0.266 232 V C 0.058 176.369 176.094 0.360 0.000 1.045 232 V CA -0.011 62.401 62.300 0.188 0.000 0.899 232 V CB 0.309 32.199 31.823 0.113 0.000 1.006 232 V HN 1.155 nan 8.190 nan 0.000 0.470 233 V N 1.836 121.990 119.914 0.399 0.000 3.040 233 V HA 0.620 4.740 4.120 0.000 0.000 0.312 233 V C -0.660 175.653 176.094 0.365 0.000 1.115 233 V CA -1.106 61.466 62.300 0.453 0.000 0.998 233 V CB 2.197 34.228 31.823 0.346 0.000 1.042 233 V HN 0.883 nan 8.190 nan 0.000 0.433 234 W N 5.005 126.315 121.300 0.017 0.000 2.304 234 W HA 0.300 4.960 4.660 0.000 0.000 0.313 234 W C 0.276 176.717 176.519 -0.129 0.000 1.323 234 W CA 0.248 57.400 57.345 -0.321 0.000 1.223 234 W CB 1.488 30.683 29.460 -0.441 0.000 1.237 234 W HN 1.038 nan 8.180 nan 0.000 0.535 235 N N 3.747 122.093 118.700 -0.588 0.000 2.230 235 N HA 0.169 4.910 4.740 0.000 0.000 0.202 235 N C 0.973 176.195 175.510 -0.481 0.000 1.119 235 N CA 0.585 53.399 53.050 -0.393 0.000 0.851 235 N CB 0.610 38.921 38.487 -0.293 0.000 0.990 235 N HN 0.689 nan 8.380 nan 0.000 0.497 236 G N -0.641 107.612 108.800 -0.912 0.000 2.481 236 G HA2 -0.266 3.694 3.960 0.000 0.000 0.200 236 G HA3 -0.266 3.694 3.960 0.000 0.000 0.200 236 G C 0.821 175.416 174.900 -0.507 0.000 1.012 236 G CA 0.509 45.349 45.100 -0.432 0.000 0.676 236 G HN 0.658 nan 8.290 nan 0.000 0.488 237 T N -3.400 110.581 114.554 -0.955 0.000 2.993 237 T HA 0.538 4.888 4.350 0.000 0.000 0.260 237 T C 0.409 174.530 174.700 -0.965 0.000 0.939 237 T CA 1.584 63.300 62.100 -0.640 0.000 0.886 237 T CB 1.570 70.269 68.868 -0.280 0.000 1.209 237 T HN 1.324 nan 8.240 nan 0.000 0.518 238 T N -0.008 113.687 114.554 -1.433 0.000 2.749 238 T HA 0.535 4.885 4.350 0.000 0.000 0.310 238 T C -2.166 172.150 174.700 -0.640 0.000 1.496 238 T CA -0.693 60.934 62.100 -0.787 0.000 1.006 238 T CB 0.913 69.633 68.868 -0.246 0.000 1.457 238 T HN 0.152 nan 8.240 nan 0.000 0.497 239 Y N 1.123 121.456 120.300 0.053 0.000 2.299 239 Y HA 0.672 5.222 4.550 0.000 0.000 0.326 239 Y C 0.758 176.693 175.900 0.058 0.000 1.164 239 Y CA 0.224 58.428 58.100 0.174 0.000 1.234 239 Y CB 1.458 40.096 38.460 0.298 0.000 1.219 239 Y HN 0.872 nan 8.280 nan 0.000 0.497 240 A N 2.636 125.569 122.820 0.188 0.000 2.609 240 A HA 0.655 4.975 4.320 0.000 0.000 0.291 240 A C -1.642 176.002 177.584 0.101 0.000 1.096 240 A CA -0.950 51.142 52.037 0.092 0.000 0.684 240 A CB 0.987 19.984 19.000 -0.004 0.000 1.282 240 A HN 0.691 nan 8.150 nan 0.000 0.412 241 L N 0.908 122.166 121.223 0.057 0.000 2.426 241 L HA 0.528 4.868 4.340 0.000 0.000 0.271 241 L C 0.133 177.012 176.870 0.015 0.000 1.169 241 L CA 0.091 54.961 54.840 0.051 0.000 0.836 241 L CB 0.843 42.920 42.059 0.029 0.000 1.112 241 L HN 0.812 nan 8.230 nan 0.000 0.465 242 E N 1.383 121.594 120.200 0.020 0.000 2.275 242 E HA 0.382 4.732 4.350 0.000 0.000 0.270 242 E C -1.442 175.088 176.600 -0.117 0.000 0.882 242 E CA -0.506 55.830 56.400 -0.106 0.000 0.758 242 E CB 2.011 31.614 29.700 -0.161 0.000 1.195 242 E HN 0.407 nan 8.360 nan 0.000 0.419 243 T N 4.189 118.621 114.554 -0.203 0.000 2.770 243 T HA 0.460 4.810 4.350 0.000 0.000 0.283 243 T C -1.078 173.502 174.700 -0.201 0.000 0.988 243 T CA -0.301 61.744 62.100 -0.091 0.000 0.957 243 T CB 0.012 68.858 68.868 -0.037 0.000 0.930 243 T HN 0.261 nan 8.240 nan 0.000 0.443 244 Y N 1.674 121.984 120.300 0.017 0.000 2.387 244 Y HA 0.461 5.011 4.550 0.000 0.000 0.336 244 Y C 0.834 176.740 175.900 0.011 0.000 1.067 244 Y CA -1.072 57.036 58.100 0.013 0.000 1.114 244 Y CB 1.227 39.695 38.460 0.014 0.000 1.208 244 Y HN 0.419 nan 8.280 nan 0.000 0.458 245 Q N 1.083 120.973 119.800 0.150 0.000 2.215 245 Q HA 0.285 4.625 4.340 0.000 0.000 0.256 245 Q C 0.782 176.834 176.000 0.087 0.000 0.972 245 Q CA -0.996 54.861 55.803 0.090 0.000 0.889 245 Q CB 1.917 30.686 28.738 0.050 0.000 1.281 245 Q HN 0.594 nan 8.270 nan 0.000 0.456 246 R N 1.568 122.102 120.500 0.057 0.000 2.249 246 R HA -0.140 4.200 4.340 0.000 0.000 0.230 246 R C 0.876 177.198 176.300 0.035 0.000 1.121 246 R CA 1.577 57.702 56.100 0.041 0.000 0.997 246 R CB -0.179 30.138 30.300 0.027 0.000 0.867 246 R HN 0.572 nan 8.270 nan 0.000 0.465 247 N N -0.575 118.148 118.700 0.038 0.000 2.295 247 N HA -0.018 4.722 4.740 0.000 0.000 0.221 247 N C -0.953 174.579 175.510 0.038 0.000 1.129 247 N CA -0.123 52.945 53.050 0.030 0.000 0.836 247 N CB 0.034 38.534 38.487 0.022 0.000 1.040 247 N HN 0.013 nan 8.380 nan 0.000 0.494 248 D N 0.796 121.231 120.400 0.058 0.000 2.303 248 D HA 0.316 4.956 4.640 0.000 0.000 0.236 248 D C -1.848 174.489 176.300 0.061 0.000 1.068 248 D CA -2.142 51.905 54.000 0.079 0.000 0.830 248 D CB 2.356 43.248 40.800 0.152 0.000 1.109 248 D HN -0.115 nan 8.370 nan 0.000 0.496 249 P HA -0.082 nan 4.420 nan 0.000 0.218 249 P C 0.949 178.248 177.300 -0.002 0.000 1.146 249 P CA 0.997 64.105 63.100 0.014 0.000 0.813 249 P CB 0.277 31.983 31.700 0.010 0.000 0.778 250 R N -1.205 119.316 120.500 0.035 0.000 2.235 250 R HA 0.068 4.408 4.340 0.000 0.000 0.213 250 R C 2.201 178.405 176.300 -0.160 0.000 1.059 250 R CA 0.558 56.655 56.100 -0.005 0.000 0.997 250 R CB -0.657 29.741 30.300 0.163 0.000 0.884 250 R HN 0.280 nan 8.270 nan 0.000 0.462 251 I N 1.293 121.796 120.570 -0.111 0.000 2.617 251 I HA -0.194 3.976 4.170 0.000 0.000 0.256 251 I C 1.903 177.935 176.117 -0.143 0.000 1.167 251 I CA 1.132 62.314 61.300 -0.196 0.000 1.469 251 I CB -0.068 37.903 38.000 -0.049 0.000 1.098 251 I HN 0.238 nan 8.210 nan 0.000 0.436 252 T N -0.434 114.064 114.554 -0.093 0.000 2.699 252 T HA -0.088 4.262 4.350 0.000 0.000 0.268 252 T C -0.545 174.102 174.700 -0.088 0.000 1.036 252 T CA 1.066 63.124 62.100 -0.070 0.000 1.147 252 T CB -2.023 66.817 68.868 -0.046 0.000 0.862 252 T HN 0.249 nan 8.240 nan 0.000 0.446 253 P HA 0.172 nan 4.420 nan 0.000 0.223 253 P C 1.375 178.676 177.300 0.002 0.000 1.151 253 P CA 0.604 63.599 63.100 -0.175 0.000 0.787 253 P CB -0.248 31.176 31.700 -0.460 0.000 0.788 254 L N -1.935 119.252 121.223 -0.061 0.000 2.418 254 L HA 0.013 4.353 4.340 0.000 0.000 0.218 254 L C 2.092 178.925 176.870 -0.063 0.000 1.125 254 L CA 0.529 55.335 54.840 -0.057 0.000 0.835 254 L CB -0.784 41.156 42.059 -0.199 0.000 0.953 254 L HN -0.022 nan 8.230 nan 0.000 0.454 255 L N -0.510 120.680 121.223 -0.055 0.000 2.131 255 L HA -0.068 4.272 4.340 0.000 0.000 0.210 255 L C 0.347 177.195 176.870 -0.037 0.000 1.092 255 L CA 1.054 55.869 54.840 -0.041 0.000 0.759 255 L CB -0.416 41.627 42.059 -0.027 0.000 0.903 255 L HN 0.184 nan 8.230 nan 0.000 0.435 256 T N 0.072 114.606 114.554 -0.034 0.000 3.038 256 T HA 0.194 4.544 4.350 0.000 0.000 0.344 256 T C 0.080 174.716 174.700 -0.108 0.000 1.054 256 T CA -0.533 61.534 62.100 -0.055 0.000 1.092 256 T CB 0.811 69.681 68.868 0.004 0.000 1.031 256 T HN 0.245 nan 8.240 nan 0.000 0.482 257 N N 2.573 121.171 118.700 -0.169 0.000 2.177 257 N HA 0.176 4.916 4.740 0.000 0.000 0.218 257 N C 0.816 176.066 175.510 -0.434 0.000 1.182 257 N CA -0.452 52.432 53.050 -0.276 0.000 0.882 257 N CB -0.321 38.019 38.487 -0.246 0.000 1.052 257 N HN 0.529 nan 8.380 nan 0.000 0.519 258 L N -0.658 120.341 121.223 -0.372 0.000 4.137 258 L HA -0.271 4.069 4.340 0.000 0.000 0.421 258 L C 1.121 177.834 176.870 -0.261 0.000 1.162 258 L CA 0.651 55.285 54.840 -0.342 0.000 0.978 258 L CB -1.951 39.827 42.059 -0.469 0.000 1.957 258 L HN 0.575 nan 8.230 nan 0.000 0.978 259 G N -0.422 108.220 108.800 -0.264 0.000 2.143 259 G HA2 -0.381 3.579 3.960 0.000 0.000 0.249 259 G HA3 -0.381 3.579 3.960 0.000 0.000 0.249 259 G C 0.664 175.419 174.900 -0.242 0.000 0.981 259 G CA 0.666 45.625 45.100 -0.236 0.000 0.665 259 G HN 0.444 nan 8.290 nan 0.000 0.528 260 R N -0.196 120.083 120.500 -0.368 0.000 2.236 260 R HA 0.301 4.641 4.340 0.000 0.000 0.208 260 R C 0.679 176.814 176.300 -0.276 0.000 1.036 260 R CA 1.455 57.319 56.100 -0.393 0.000 1.001 260 R CB -0.317 29.470 30.300 -0.855 0.000 0.896 260 R HN 0.496 nan 8.270 nan 0.000 0.464 261 C N -0.129 118.986 119.300 -0.307 0.000 2.396 261 C HA 0.403 4.863 4.460 0.000 0.000 0.321 261 C C -0.745 174.055 174.990 -0.317 0.000 1.233 261 C CA -1.369 57.500 59.018 -0.248 0.000 1.440 261 C CB 0.461 28.122 27.740 -0.132 0.000 2.110 261 C HN 0.387 nan 8.230 nan 0.000 0.473 262 F N 4.387 123.901 119.950 -0.726 0.000 2.438 262 F HA 0.478 5.005 4.527 0.000 0.000 0.360 262 F C 0.016 175.647 175.800 -0.281 0.000 1.118 262 F CA -0.264 57.385 58.000 -0.586 0.000 1.164 262 F CB 0.352 38.767 39.000 -0.974 0.000 1.131 262 F HN 0.434 nan 8.300 nan 0.000 0.527 263 L N 5.775 127.039 121.223 0.069 0.000 2.312 263 L HA 0.278 4.618 4.340 0.000 0.000 0.281 263 L C 1.098 178.114 176.870 0.243 0.000 1.070 263 L CA -0.326 54.584 54.840 0.117 0.000 0.805 263 L CB 1.687 43.750 42.059 0.008 0.000 1.174 263 L HN 0.666 nan 8.230 nan 0.000 0.434 264 T N -2.866 111.811 114.554 0.205 0.000 2.990 264 T HA 0.120 4.471 4.350 0.000 0.000 0.249 264 T C 0.577 175.352 174.700 0.126 0.000 1.039 264 T CA -0.039 62.178 62.100 0.196 0.000 1.036 264 T CB 0.534 69.485 68.868 0.138 0.000 0.994 264 T HN 0.469 nan 8.240 nan 0.000 0.489 265 S N -0.771 114.989 115.700 0.102 0.000 2.567 265 S HA 0.656 5.127 4.470 0.000 0.000 0.270 265 S C -2.094 172.552 174.600 0.075 0.000 1.152 265 S CA -0.386 57.863 58.200 0.081 0.000 0.835 265 S CB 1.834 65.078 63.200 0.072 0.000 1.115 265 S HN 0.569 nan 8.310 nan 0.000 0.459 266 V N 1.861 121.818 119.914 0.071 0.000 3.147 266 V HA 0.846 4.966 4.120 0.000 0.000 0.306 266 V C -1.275 174.865 176.094 0.076 0.000 1.209 266 V CA -0.145 62.196 62.300 0.069 0.000 1.023 266 V CB 2.378 34.237 31.823 0.060 0.000 1.059 266 V HN 1.007 nan 8.190 nan 0.000 0.435 267 T N 6.611 121.208 114.554 0.072 0.000 2.841 267 T HA 0.697 5.047 4.350 0.000 0.000 0.285 267 T C -0.620 174.130 174.700 0.083 0.000 0.991 267 T CA -0.271 61.875 62.100 0.076 0.000 0.966 267 T CB 1.205 70.107 68.868 0.057 0.000 0.962 267 T HN 0.634 nan 8.240 nan 0.000 0.438 268 M N 2.140 121.817 119.600 0.128 0.000 2.518 268 M HA 0.406 4.886 4.480 0.000 0.000 0.300 268 M C -0.170 176.239 176.300 0.180 0.000 1.175 268 M CA -0.949 54.430 55.300 0.132 0.000 0.890 268 M CB 2.466 35.165 32.600 0.165 0.000 1.710 268 M HN 0.449 nan 8.290 nan 0.000 0.453 269 Q N 0.922 120.795 119.800 0.122 0.000 2.454 269 Q HA 0.586 4.926 4.340 0.000 0.000 0.247 269 Q C -0.655 175.527 176.000 0.304 0.000 1.028 269 Q CA -0.162 55.724 55.803 0.139 0.000 0.910 269 Q CB 0.906 29.684 28.738 0.067 0.000 1.276 269 Q HN 0.727 nan 8.270 nan 0.000 0.489 270 A N 0.627 123.592 122.820 0.241 0.000 2.455 270 A HA 0.749 5.069 4.320 0.000 0.000 0.300 270 A C -0.491 177.164 177.584 0.120 0.000 1.040 270 A CA -0.211 52.009 52.037 0.305 0.000 0.697 270 A CB 1.719 20.817 19.000 0.164 0.000 1.265 270 A HN 0.714 nan 8.150 nan 0.000 0.407 271 G N 0.862 109.713 108.800 0.085 0.000 2.601 271 G HA2 0.792 4.752 3.960 0.000 0.000 0.317 271 G HA3 0.792 4.752 3.960 0.000 0.000 0.317 271 G C -2.795 172.009 174.900 -0.159 0.000 1.246 271 G CA -1.911 42.965 45.100 -0.374 0.000 1.012 271 G HN 0.544 nan 8.290 nan 0.000 0.494 272 P HA 0.045 nan 4.420 nan 0.000 0.271 272 P C -0.427 177.035 177.300 0.270 0.000 1.218 272 P CA -0.403 62.729 63.100 0.052 0.000 0.780 272 P CB 1.035 32.771 31.700 0.060 0.000 0.901 273 N N 1.200 119.990 118.700 0.150 0.000 2.381 273 N HA 0.410 5.150 4.740 0.000 0.000 0.254 273 N C -0.683 175.059 175.510 0.387 0.000 1.264 273 N CA -0.096 53.019 53.050 0.108 0.000 0.942 273 N CB -0.162 38.154 38.487 -0.286 0.000 1.190 273 N HN 0.389 nan 8.380 nan 0.000 0.495 274 F N -1.819 118.323 119.950 0.320 0.000 2.668 274 F HA 0.578 5.105 4.527 0.000 0.000 0.309 274 F C -0.383 175.565 175.800 0.247 0.000 1.117 274 F CA -1.270 56.929 58.000 0.333 0.000 0.951 274 F CB 0.831 39.958 39.000 0.211 0.000 1.323 274 F HN 0.034 nan 8.300 nan 0.000 0.451 275 R N 1.839 122.418 120.500 0.132 0.000 2.490 275 R HA 0.473 4.813 4.340 0.000 0.000 0.278 275 R C -1.055 175.189 176.300 -0.094 0.000 1.069 275 R CA -0.469 55.383 56.100 -0.413 0.000 1.080 275 R CB 1.438 31.399 30.300 -0.566 0.000 1.030 275 R HN 0.991 nan 8.270 nan 0.000 0.491 276 Q N 1.132 120.727 119.800 -0.342 0.000 2.320 276 Q HA 0.309 4.649 4.340 0.000 0.000 0.272 276 Q C -1.257 174.762 176.000 0.030 0.000 1.023 276 Q CA -0.636 55.195 55.803 0.046 0.000 0.855 276 Q CB 2.574 31.448 28.738 0.227 0.000 1.367 276 Q HN 0.476 nan 8.270 nan 0.000 0.406 277 R N 1.618 122.279 120.500 0.268 0.000 2.486 277 R HA 0.629 4.969 4.340 0.000 0.000 0.286 277 R C -1.527 174.868 176.300 0.159 0.000 0.999 277 R CA -0.293 55.980 56.100 0.290 0.000 0.993 277 R CB 1.444 31.935 30.300 0.317 0.000 1.084 277 R HN 0.679 nan 8.270 nan 0.000 0.487 278 C N 4.264 123.583 119.300 0.032 0.000 2.478 278 C HA 0.383 4.843 4.460 0.000 0.000 0.334 278 C C -0.950 173.930 174.990 -0.183 0.000 1.106 278 C CA -0.449 58.426 59.018 -0.238 0.000 1.363 278 C CB 0.967 28.510 27.740 -0.328 0.000 1.941 278 C HN 0.845 nan 8.230 nan 0.000 0.436 279 Q N 3.075 122.733 119.800 -0.236 0.000 2.256 279 Q HA 0.573 4.913 4.340 0.000 0.000 0.257 279 Q C -0.381 175.385 176.000 -0.389 0.000 0.936 279 Q CA -0.134 55.503 55.803 -0.277 0.000 0.903 279 Q CB 2.046 30.631 28.738 -0.254 0.000 1.263 279 Q HN 0.741 nan 8.270 nan 0.000 0.440 280 S N 1.529 116.999 115.700 -0.384 0.000 2.501 280 S HA 0.611 5.081 4.470 0.000 0.000 0.301 280 S C -1.413 172.921 174.600 -0.443 0.000 1.096 280 S CA -0.568 57.509 58.200 -0.205 0.000 1.063 280 S CB 0.583 63.863 63.200 0.133 0.000 1.042 280 S HN 0.360 nan 8.310 nan 0.000 0.494 281 Y N 0.369 120.687 120.300 0.030 0.000 2.442 281 Y HA 0.434 4.984 4.550 0.000 0.000 0.344 281 Y C 1.100 177.056 175.900 0.093 0.000 0.976 281 Y CA -0.901 57.209 58.100 0.018 0.000 1.040 281 Y CB 1.995 40.434 38.460 -0.035 0.000 1.228 281 Y HN 0.721 nan 8.280 nan 0.000 0.451 282 T N -3.889 110.793 114.554 0.214 0.000 3.209 282 T HA 0.079 4.429 4.350 0.000 0.000 0.295 282 T C -0.025 174.851 174.700 0.293 0.000 0.977 282 T CA -0.203 62.051 62.100 0.258 0.000 0.922 282 T CB -0.122 68.776 68.868 0.050 0.000 1.152 282 T HN 0.599 nan 8.240 nan 0.000 0.527 283 D N 1.078 121.610 120.400 0.219 0.000 2.462 283 D HA 0.230 4.870 4.640 0.000 0.000 0.221 283 D C 0.131 176.494 176.300 0.105 0.000 1.173 283 D CA -0.537 53.561 54.000 0.163 0.000 0.831 283 D CB -0.166 40.715 40.800 0.136 0.000 1.001 283 D HN 0.505 nan 8.370 nan 0.000 0.499 284 I N 1.044 121.668 120.570 0.089 0.000 2.355 284 I HA 0.305 4.476 4.170 0.000 0.000 0.288 284 I C -2.409 173.683 176.117 -0.042 0.000 0.999 284 I CA -2.388 58.915 61.300 0.005 0.000 1.163 284 I CB 1.841 39.828 38.000 -0.022 0.000 1.316 284 I HN -0.385 nan 8.210 nan 0.000 0.454 285 P HA -0.092 nan 4.420 nan 0.000 0.266 285 P C 0.826 177.998 177.300 -0.213 0.000 1.195 285 P CA -0.162 62.869 63.100 -0.114 0.000 0.768 285 P CB 0.341 31.943 31.700 -0.164 0.000 0.838 286 W N 4.895 125.994 121.300 -0.335 0.000 2.342 286 W HA -0.155 4.505 4.660 0.000 0.000 0.297 286 W C 0.944 177.238 176.519 -0.375 0.000 1.213 286 W CA 0.935 57.922 57.345 -0.597 0.000 1.251 286 W CB -1.166 27.735 29.460 -0.931 0.000 1.136 286 W HN 0.316 nan 8.180 nan 0.000 0.526 287 R N 0.897 120.817 120.500 -0.967 0.000 2.189 287 R HA -0.119 4.221 4.340 0.000 0.000 0.223 287 R C 2.323 178.409 176.300 -0.357 0.000 1.092 287 R CA 1.723 57.339 56.100 -0.806 0.000 0.989 287 R CB -0.322 29.379 30.300 -0.999 0.000 0.876 287 R HN 0.380 nan 8.270 nan 0.000 0.457 288 E N 0.633 120.648 120.200 -0.309 0.000 2.086 288 E HA -0.146 4.204 4.350 0.000 0.000 0.190 288 E C 1.841 178.354 176.600 -0.144 0.000 0.975 288 E CA 0.477 56.763 56.400 -0.190 0.000 0.813 288 E CB 0.112 29.713 29.700 -0.165 0.000 0.768 288 E HN 0.112 nan 8.360 nan 0.000 0.457 289 L N 0.215 121.302 121.223 -0.227 0.000 2.027 289 L HA -0.040 4.300 4.340 0.000 0.000 0.206 289 L C 1.013 177.842 176.870 -0.068 0.000 1.074 289 L CA 1.630 56.331 54.840 -0.232 0.000 0.745 289 L CB -0.199 41.528 42.059 -0.554 0.000 0.898 289 L HN 0.133 nan 8.230 nan 0.000 0.433 290 F N 0.414 120.417 119.950 0.090 0.000 2.974 290 F HA 0.452 4.979 4.527 0.000 0.000 0.292 290 F C 0.921 176.762 175.800 0.070 0.000 1.209 290 F CA -0.579 57.488 58.000 0.112 0.000 1.366 290 F CB -0.516 38.567 39.000 0.138 0.000 1.033 290 F HN 0.088 nan 8.300 nan 0.000 0.516 291 A N 0.749 123.671 122.820 0.169 0.000 2.272 291 A HA 0.570 4.890 4.320 0.000 0.000 0.275 291 A C -2.251 175.396 177.584 0.105 0.000 1.096 291 A CA -1.540 50.548 52.037 0.085 0.000 0.822 291 A CB 0.102 19.108 19.000 0.010 0.000 1.088 291 A HN 0.078 nan 8.150 nan 0.000 0.495 292 P HA 0.106 nan 4.420 nan 0.000 0.271 292 P C -0.402 176.934 177.300 0.061 0.000 1.233 292 P CA -0.375 62.769 63.100 0.074 0.000 0.789 292 P CB 0.356 32.089 31.700 0.055 0.000 0.951 293 K N 1.091 121.527 120.400 0.059 0.000 2.524 293 K HA 0.131 4.451 4.320 0.000 0.000 0.279 293 K C 1.064 177.682 176.600 0.030 0.000 0.993 293 K CA 1.110 57.425 56.287 0.047 0.000 1.030 293 K CB -0.818 31.707 32.500 0.043 0.000 0.891 293 K HN 0.764 nan 8.250 nan 0.000 0.488 294 G N 1.799 110.612 108.800 0.022 0.000 2.162 294 G HA2 -0.316 3.644 3.960 0.000 0.000 0.260 294 G HA3 -0.316 3.644 3.960 0.000 0.000 0.260 294 G C 0.186 175.084 174.900 -0.004 0.000 0.976 294 G CA 0.258 45.361 45.100 0.007 0.000 0.655 294 G HN 0.942 nan 8.290 nan 0.000 0.533 295 A N -0.097 122.722 122.820 -0.002 0.000 2.406 295 A HA 0.525 4.845 4.320 0.000 0.000 0.243 295 A C 0.538 178.100 177.584 -0.036 0.000 1.082 295 A CA 0.405 52.432 52.037 -0.017 0.000 0.786 295 A CB 0.367 19.360 19.000 -0.013 0.000 1.029 295 A HN 0.349 nan 8.150 nan 0.000 0.495 296 D N -0.253 120.119 120.400 -0.046 0.000 2.387 296 D HA 0.523 5.163 4.640 0.000 0.000 0.251 296 D C 0.773 177.025 176.300 -0.079 0.000 1.141 296 D CA 1.313 55.277 54.000 -0.060 0.000 0.987 296 D CB 1.108 41.876 40.800 -0.052 0.000 1.116 296 D HN 1.176 nan 8.370 nan 0.000 0.491 297 G N 0.114 108.856 108.800 -0.097 0.000 2.582 297 G HA2 -0.209 3.751 3.960 0.000 0.000 0.222 297 G HA3 -0.209 3.751 3.960 0.000 0.000 0.222 297 G C -0.713 174.079 174.900 -0.180 0.000 1.311 297 G CA -0.850 44.179 45.100 -0.118 0.000 0.915 297 G HN 0.495 nan 8.290 nan 0.000 0.528 298 R N 1.443 121.828 120.500 -0.192 0.000 3.266 298 R HA 0.416 4.756 4.340 0.000 0.000 0.224 298 R C 0.967 177.135 176.300 -0.220 0.000 1.525 298 R CA 0.473 56.387 56.100 -0.310 0.000 1.364 298 R CB -0.189 30.004 30.300 -0.177 0.000 1.276 298 R HN 0.778 nan 8.270 nan 0.000 0.660 299 T N -2.740 111.667 114.554 -0.245 0.000 2.899 299 T HA 0.137 4.487 4.350 0.000 0.000 0.284 299 T C 1.005 175.759 174.700 0.091 0.000 1.004 299 T CA -0.758 61.318 62.100 -0.041 0.000 1.043 299 T CB 0.921 69.783 68.868 -0.009 0.000 1.013 299 T HN 0.333 nan 8.240 nan 0.000 0.518 300 F N 1.668 121.713 119.950 0.159 0.000 2.095 300 F HA -0.096 4.431 4.527 0.000 0.000 0.298 300 F C 2.661 178.583 175.800 0.202 0.000 1.104 300 F CA 2.177 60.348 58.000 0.284 0.000 1.232 300 F CB -0.131 39.050 39.000 0.301 0.000 0.987 300 F HN 0.919 nan 8.300 nan 0.000 0.475 301 E N 0.087 120.518 120.200 0.385 0.000 2.153 301 E HA -0.260 4.090 4.350 0.000 0.000 0.194 301 E C 1.942 178.603 176.600 0.102 0.000 0.988 301 E CA 1.525 58.067 56.400 0.237 0.000 0.811 301 E CB -0.531 29.260 29.700 0.151 0.000 0.746 301 E HN 0.421 nan 8.360 nan 0.000 0.466 302 K N -0.060 120.329 120.400 -0.017 0.000 2.155 302 K HA -0.028 4.292 4.320 0.000 0.000 0.203 302 K C 1.854 178.362 176.600 -0.153 0.000 1.052 302 K CA 1.306 57.507 56.287 -0.142 0.000 0.948 302 K CB -0.178 32.148 32.500 -0.291 0.000 0.728 302 K HN 0.141 nan 8.250 nan 0.000 0.448 303 F N 0.354 120.268 119.950 -0.061 0.000 2.146 303 F HA -0.206 4.321 4.527 0.000 0.000 0.298 303 F C 2.250 178.025 175.800 -0.043 0.000 1.096 303 F CA 0.611 58.553 58.000 -0.098 0.000 1.275 303 F CB -0.220 38.644 39.000 -0.228 0.000 1.008 303 F HN -0.222 nan 8.300 nan 0.000 0.480 304 V N -0.100 119.918 119.914 0.173 0.000 2.407 304 V HA -0.306 3.814 4.120 0.000 0.000 0.248 304 V C 2.488 178.643 176.094 0.101 0.000 1.055 304 V CA 1.767 64.159 62.300 0.153 0.000 1.049 304 V CB -1.168 30.785 31.823 0.216 0.000 0.662 304 V HN 0.366 nan 8.190 nan 0.000 0.455 305 A N -0.477 122.389 122.820 0.076 0.000 1.898 305 A HA -0.254 4.066 4.320 0.000 0.000 0.216 305 A C 2.297 179.904 177.584 0.038 0.000 1.181 305 A CA 1.971 54.033 52.037 0.041 0.000 0.620 305 A CB -0.423 18.589 19.000 0.020 0.000 0.819 305 A HN 0.614 nan 8.150 nan 0.000 0.442 306 E N -0.841 119.386 120.200 0.045 0.000 2.076 306 E HA -0.068 4.282 4.350 0.000 0.000 0.190 306 E C 1.659 178.312 176.600 0.089 0.000 0.979 306 E CA 1.308 57.741 56.400 0.054 0.000 0.807 306 E CB 0.113 29.838 29.700 0.043 0.000 0.761 306 E HN 0.537 nan 8.360 nan 0.000 0.454 307 S N -1.868 113.907 115.700 0.125 0.000 2.575 307 S HA 0.303 4.773 4.470 0.000 0.000 0.230 307 S C 1.056 175.735 174.600 0.132 0.000 1.062 307 S CA 0.276 58.564 58.200 0.147 0.000 0.913 307 S CB 1.431 64.749 63.200 0.197 0.000 0.837 307 S HN 0.550 nan 8.310 nan 0.000 0.487 308 G N 1.437 110.305 108.800 0.112 0.000 3.586 308 G HA2 -0.182 3.778 3.960 0.000 0.000 0.212 308 G HA3 -0.182 3.778 3.960 0.000 0.000 0.212 308 G C 0.360 175.341 174.900 0.135 0.000 1.411 308 G CA -0.255 44.889 45.100 0.072 0.000 0.898 308 G HN 0.891 nan 8.290 nan 0.000 0.575 309 G N 0.635 109.567 108.800 0.219 0.000 2.372 309 G HA2 0.814 4.774 3.960 0.000 0.000 0.283 309 G HA3 0.814 4.774 3.960 0.000 0.000 0.283 309 G C -0.184 175.003 174.900 0.479 0.000 1.177 309 G CA 1.001 46.293 45.100 0.320 0.000 0.842 309 G HN 1.926 nan 8.290 nan 0.000 0.503 310 A N 2.017 125.113 122.820 0.459 0.000 2.594 310 A HA 0.797 5.117 4.320 0.000 0.000 0.296 310 A C -0.978 176.848 177.584 0.403 0.000 1.061 310 A CA -0.666 51.540 52.037 0.282 0.000 0.689 310 A CB 1.865 20.750 19.000 -0.191 0.000 1.280 310 A HN 0.793 nan 8.150 nan 0.000 0.406 311 E N 0.794 121.150 120.200 0.260 0.000 2.321 311 E HA 0.626 4.976 4.350 0.000 0.000 0.281 311 E C -1.023 175.670 176.600 0.155 0.000 0.910 311 E CA -0.540 56.058 56.400 0.329 0.000 0.770 311 E CB 1.926 31.846 29.700 0.366 0.000 1.225 311 E HN 1.380 nan 8.360 nan 0.000 0.417 312 A N 5.037 128.081 122.820 0.372 0.000 2.330 312 A HA 0.712 5.032 4.320 0.000 0.000 0.327 312 A C -0.781 176.959 177.584 0.261 0.000 1.155 312 A CA -0.630 51.612 52.037 0.342 0.000 0.803 312 A CB 0.662 20.092 19.000 0.716 0.000 1.208 312 A HN 0.609 nan 8.150 nan 0.000 0.477 313 I N 2.011 122.684 120.570 0.171 0.000 2.411 313 I HA 0.231 4.401 4.170 0.000 0.000 0.284 313 I C -1.352 174.877 176.117 0.187 0.000 1.012 313 I CA -0.131 61.219 61.300 0.083 0.000 1.119 313 I CB 1.444 39.409 38.000 -0.058 0.000 1.261 313 I HN 0.792 nan 8.210 nan 0.000 0.448 314 W N 9.079 130.358 121.300 -0.035 0.000 2.299 314 W HA 0.436 5.096 4.660 0.000 0.000 0.319 314 W C -1.067 175.406 176.519 -0.076 0.000 1.008 314 W CA -1.400 55.974 57.345 0.047 0.000 1.384 314 W CB 0.255 29.845 29.460 0.217 0.000 1.220 314 W HN 0.300 nan 8.180 nan 0.000 0.402 315 Y N 7.263 127.722 120.300 0.264 0.000 2.480 315 Y HA 0.124 4.674 4.550 0.000 0.000 0.338 315 Y C -1.052 174.732 175.900 -0.193 0.000 1.220 315 Y CA -1.428 56.707 58.100 0.057 0.000 1.430 315 Y CB 0.057 38.601 38.460 0.141 0.000 1.311 315 Y HN 0.262 nan 8.280 nan 0.000 0.575 316 P HA -0.084 nan 4.420 nan 0.000 0.265 316 P C -0.523 176.751 177.300 -0.044 0.000 1.193 316 P CA 0.348 63.303 63.100 -0.241 0.000 0.765 316 P CB 0.154 31.811 31.700 -0.071 0.000 0.823 317 F N -1.139 118.745 119.950 -0.109 0.000 3.074 317 F HA -0.222 4.305 4.527 0.000 0.000 0.289 317 F C 0.898 176.744 175.800 0.077 0.000 0.863 317 F CA 1.187 59.188 58.000 0.001 0.000 1.121 317 F CB -2.589 36.431 39.000 0.032 0.000 1.169 317 F HN 0.416 nan 8.300 nan 0.000 0.570 318 T N -4.102 110.577 114.554 0.207 0.000 2.932 318 T HA 0.552 4.902 4.350 0.000 0.000 0.289 318 T C 0.713 175.677 174.700 0.440 0.000 1.039 318 T CA -0.823 61.431 62.100 0.257 0.000 1.024 318 T CB 2.587 71.594 68.868 0.232 0.000 1.090 318 T HN 0.042 nan 8.240 nan 0.000 0.496 319 E N 0.468 120.837 120.200 0.282 0.000 2.340 319 E HA 0.159 4.509 4.350 0.000 0.000 0.194 319 E C -0.126 176.662 176.600 0.312 0.000 0.996 319 E CA 0.613 57.252 56.400 0.399 0.000 0.869 319 E CB 0.356 30.185 29.700 0.215 0.000 0.835 319 E HN 0.612 nan 8.360 nan 0.000 0.493 320 K N 1.080 121.539 120.400 0.098 0.000 2.507 320 K HA 0.379 4.699 4.320 0.000 0.000 0.252 320 K C -2.716 174.036 176.600 0.254 0.000 0.943 320 K CA -1.920 54.419 56.287 0.087 0.000 0.808 320 K CB 2.376 34.898 32.500 0.037 0.000 1.142 320 K HN -0.179 nan 8.250 nan 0.000 0.426 321 P HA 0.076 nan 4.420 nan 0.000 0.277 321 P C -1.182 176.397 177.300 0.467 0.000 1.271 321 P CA -0.520 62.811 63.100 0.385 0.000 0.795 321 P CB 0.412 32.225 31.700 0.189 0.000 1.101 322 W N 3.262 124.716 121.300 0.258 0.000 2.311 322 W HA 0.564 5.224 4.660 0.000 0.000 0.317 322 W C -1.444 175.115 176.519 0.067 0.000 1.065 322 W CA -1.211 56.228 57.345 0.157 0.000 1.364 322 W CB -0.120 29.437 29.460 0.162 0.000 1.233 322 W HN 0.138 nan 8.180 nan 0.000 0.409 323 M N 6.644 126.418 119.600 0.291 0.000 2.180 323 M HA 0.413 4.893 4.480 0.000 0.000 0.350 323 M C -1.029 175.187 176.300 -0.141 0.000 1.125 323 M CA -0.018 55.273 55.300 -0.015 0.000 1.031 323 M CB 0.950 33.491 32.600 -0.097 0.000 1.623 323 M HN 0.345 nan 8.290 nan 0.000 0.451 324 K N 3.779 123.938 120.400 -0.402 0.000 2.221 324 K HA 0.780 5.100 4.320 0.000 0.000 0.258 324 K C -1.533 174.700 176.600 -0.611 0.000 0.944 324 K CA -0.917 55.005 56.287 -0.610 0.000 0.823 324 K CB 2.145 34.045 32.500 -1.001 0.000 1.113 324 K HN 0.536 nan 8.250 nan 0.000 0.431 325 V N 2.748 122.319 119.914 -0.572 0.000 2.577 325 V HA 0.360 4.480 4.120 0.000 0.000 0.303 325 V C -0.948 175.011 176.094 -0.225 0.000 1.042 325 V CA -1.021 61.102 62.300 -0.295 0.000 0.872 325 V CB 1.529 33.241 31.823 -0.185 0.000 0.998 325 V HN 0.725 nan 8.190 nan 0.000 0.423 326 W N 2.290 123.611 121.300 0.035 0.000 2.433 326 W HA 0.615 5.275 4.660 0.000 0.000 0.315 326 W C -0.259 176.325 176.519 0.109 0.000 1.087 326 W CA -0.449 56.946 57.345 0.082 0.000 1.205 326 W CB 2.272 31.790 29.460 0.097 0.000 1.288 326 W HN 0.400 nan 8.180 nan 0.000 0.504 327 T N 2.051 116.804 114.554 0.332 0.000 2.841 327 T HA 0.265 4.615 4.350 0.000 0.000 0.285 327 T C -0.265 174.597 174.700 0.269 0.000 0.991 327 T CA -0.575 61.679 62.100 0.257 0.000 0.966 327 T CB 2.008 71.001 68.868 0.208 0.000 0.962 327 T HN -0.003 nan 8.240 nan 0.000 0.438 328 V N 3.528 123.577 119.914 0.225 0.000 2.555 328 V HA 0.215 4.335 4.120 0.000 0.000 0.286 328 V C 0.996 177.222 176.094 0.221 0.000 1.044 328 V CA -0.160 62.276 62.300 0.228 0.000 1.026 328 V CB 1.123 32.996 31.823 0.083 0.000 0.981 328 V HN 1.010 nan 8.190 nan 0.000 0.480 350 G N 2.066 110.844 108.800 -0.037 0.000 2.213 350 G HA2 -0.223 3.737 3.960 0.000 0.000 0.236 350 G HA3 -0.223 3.737 3.960 0.000 0.000 0.236 350 G C 0.254 175.039 174.900 -0.192 0.000 0.991 350 G CA 0.433 45.544 45.100 0.018 0.000 0.629 350 G HN 0.867 nan 8.290 nan 0.000 0.517 351 K N 1.828 121.833 120.400 -0.658 0.000 2.349 351 K HA 0.451 4.771 4.320 0.000 0.000 0.288 351 K C -2.183 174.007 176.600 -0.684 0.000 1.058 351 K CA -1.483 53.970 56.287 -1.390 0.000 0.953 351 K CB 0.591 31.974 32.500 -1.861 0.000 0.997 351 K HN 0.049 nan 8.250 nan 0.000 0.477 352 P HA 0.030 nan 4.420 nan 0.000 0.268 352 P C -2.297 174.858 177.300 -0.242 0.000 1.204 352 P CA -1.112 61.837 63.100 -0.251 0.000 0.768 352 P CB 0.591 32.208 31.700 -0.139 0.000 0.842 353 P HA -0.208 nan 4.420 nan 0.000 0.216 353 P C 0.999 178.237 177.300 -0.104 0.000 1.150 353 P CA 1.606 64.628 63.100 -0.129 0.000 0.843 353 P CB -0.005 31.643 31.700 -0.087 0.000 0.787 354 Q N -1.031 118.720 119.800 -0.081 0.000 2.435 354 Q HA 0.152 4.492 4.340 0.000 0.000 0.207 354 Q C 0.857 176.825 176.000 -0.052 0.000 0.956 354 Q CA 0.372 56.142 55.803 -0.055 0.000 0.917 354 Q CB -0.470 28.247 28.738 -0.036 0.000 0.997 354 Q HN 0.161 nan 8.270 nan 0.000 0.497 355 A N 1.163 123.938 122.820 -0.075 0.000 2.340 355 A HA 0.425 4.745 4.320 0.000 0.000 0.268 355 A C -0.371 177.199 177.584 -0.024 0.000 1.100 355 A CA -0.513 51.503 52.037 -0.035 0.000 0.803 355 A CB 0.411 19.400 19.000 -0.019 0.000 1.043 355 A HN 0.228 nan 8.150 nan 0.000 0.488 356 R N 1.807 122.326 120.500 0.030 0.000 2.254 356 R HA 0.250 4.590 4.340 0.000 0.000 0.318 356 R C -0.086 176.279 176.300 0.109 0.000 1.031 356 R CA -0.259 55.867 56.100 0.043 0.000 0.905 356 R CB 0.542 30.866 30.300 0.040 0.000 1.050 356 R HN 0.850 nan 8.270 nan 0.000 0.456 357 E N 4.093 124.365 120.200 0.120 0.000 2.316 357 E HA 0.170 4.520 4.350 0.000 0.000 0.275 357 E C -0.771 175.904 176.600 0.124 0.000 1.029 357 E CA -0.636 55.898 56.400 0.223 0.000 0.871 357 E CB 1.016 30.857 29.700 0.236 0.000 1.022 357 E HN 0.452 nan 8.360 nan 0.000 0.418 358 V N 1.167 121.136 119.914 0.092 0.000 2.815 358 V HA 0.497 4.617 4.120 0.000 0.000 0.314 358 V C 0.028 176.130 176.094 0.014 0.000 1.064 358 V CA -0.636 61.686 62.300 0.037 0.000 0.952 358 V CB 1.986 33.813 31.823 0.008 0.000 1.020 358 V HN 0.609 nan 8.190 nan 0.000 0.439 359 S N 1.564 117.281 115.700 0.028 0.000 2.749 359 S HA 0.666 5.136 4.470 0.000 0.000 0.246 359 S C 0.391 175.017 174.600 0.043 0.000 1.023 359 S CA 0.288 58.515 58.200 0.045 0.000 1.012 359 S CB 0.340 63.576 63.200 0.059 0.000 0.942 359 S HN 1.479 nan 8.310 nan 0.000 0.531 360 G N 2.205 111.018 108.800 0.022 0.000 2.692 360 G HA2 0.621 4.581 3.960 0.000 0.000 0.291 360 G HA3 0.621 4.581 3.960 0.000 0.000 0.291 360 G C -3.453 171.433 174.900 -0.023 0.000 1.423 360 G CA -1.288 43.823 45.100 0.019 0.000 0.843 360 G HN -0.082 nan 8.290 nan 0.000 0.486 361 P HA 0.326 nan 4.420 nan 0.000 0.293 361 P C -0.924 176.250 177.300 -0.210 0.000 1.304 361 P CA -0.348 62.592 63.100 -0.266 0.000 0.767 361 P CB 0.570 31.955 31.700 -0.524 0.000 1.247 362 Y N -2.054 118.287 120.300 0.068 0.000 3.018 362 Y HA -0.160 4.390 4.550 0.000 0.000 0.181 362 Y C 1.036 176.892 175.900 -0.074 0.000 1.542 362 Y CA -0.039 58.077 58.100 0.027 0.000 0.975 362 Y CB -3.015 35.459 38.460 0.024 0.000 1.379 362 Y HN 0.348 nan 8.280 nan 0.000 0.423 363 N N 0.105 118.698 118.700 -0.178 0.000 2.314 363 N HA 0.046 4.786 4.740 0.000 0.000 0.200 363 N C -0.515 174.763 175.510 -0.387 0.000 1.135 363 N CA 0.396 53.271 53.050 -0.292 0.000 0.835 363 N CB 0.181 38.461 38.487 -0.345 0.000 0.989 363 N HN 0.574 nan 8.380 nan 0.000 0.478 364 Y N 0.843 121.160 120.300 0.028 0.000 2.915 364 Y HA 0.283 4.833 4.550 0.000 0.000 0.350 364 Y C 1.379 176.978 175.900 -0.502 0.000 1.061 364 Y CA -0.837 57.056 58.100 -0.345 0.000 1.179 364 Y CB 0.418 38.731 38.460 -0.245 0.000 1.180 364 Y HN -0.138 nan 8.280 nan 0.000 0.605 365 I N 0.506 120.982 120.570 -0.155 0.000 2.248 365 I HA -0.346 3.824 4.170 0.000 0.000 0.248 365 I C 2.250 178.332 176.117 -0.058 0.000 1.107 365 I CA 1.645 62.919 61.300 -0.044 0.000 1.373 365 I CB -1.267 36.772 38.000 0.064 0.000 1.055 365 I HN 0.545 nan 8.210 nan 0.000 0.418 366 F N 1.990 122.024 119.950 0.141 0.000 2.269 366 F HA -0.128 4.399 4.527 0.000 0.000 0.301 366 F C 2.544 178.423 175.800 0.131 0.000 1.082 366 F CA 1.092 59.145 58.000 0.090 0.000 1.360 366 F CB -1.647 37.360 39.000 0.011 0.000 1.041 366 F HN 0.108 nan 8.300 nan 0.000 0.512 367 S N -0.763 114.791 115.700 -0.244 0.000 2.425 367 S HA -0.073 4.397 4.470 0.000 0.000 0.225 367 S C 1.370 176.069 174.600 0.166 0.000 1.024 367 S CA 0.705 58.979 58.200 0.122 0.000 0.951 367 S CB -0.588 62.737 63.200 0.207 0.000 0.796 367 S HN 0.399 nan 8.310 nan 0.000 0.498 368 D N 2.218 122.675 120.400 0.094 0.000 2.349 368 D HA 0.133 4.773 4.640 0.000 0.000 0.215 368 D C -0.272 176.091 176.300 0.104 0.000 1.016 368 D CA 0.359 54.429 54.000 0.116 0.000 0.870 368 D CB -0.068 40.776 40.800 0.074 0.000 0.917 368 D HN 0.446 nan 8.370 nan 0.000 0.524 369 N N 1.000 119.763 118.700 0.105 0.000 2.685 369 N HA 0.170 4.910 4.740 0.000 0.000 0.252 369 N C -0.537 175.045 175.510 0.120 0.000 1.261 369 N CA -0.175 52.935 53.050 0.099 0.000 0.768 369 N CB 1.807 40.339 38.487 0.076 0.000 1.304 369 N HN -0.001 nan 8.380 nan 0.000 0.536 370 L N 2.050 123.352 121.223 0.132 0.000 2.397 370 L HA 0.371 4.711 4.340 0.000 0.000 0.271 370 L C -1.210 175.721 176.870 0.101 0.000 1.148 370 L CA -1.115 53.806 54.840 0.135 0.000 0.825 370 L CB 0.093 42.248 42.059 0.160 0.000 1.117 370 L HN 0.173 nan 8.230 nan 0.000 0.456 371 P HA 0.043 nan 4.420 nan 0.000 0.286 371 P C 0.243 177.578 177.300 0.058 0.000 1.293 371 P CA -0.440 62.699 63.100 0.064 0.000 0.770 371 P CB 0.902 32.634 31.700 0.053 0.000 1.206 372 E N 0.050 120.274 120.200 0.041 0.000 2.028 372 E HA -0.125 4.225 4.350 0.000 0.000 0.191 372 E C -0.806 175.814 176.600 0.032 0.000 0.988 372 E CA 1.411 57.829 56.400 0.031 0.000 0.799 372 E CB -1.415 28.296 29.700 0.020 0.000 0.755 372 E HN 0.299 nan 8.360 nan 0.000 0.447 373 P HA -0.184 nan 4.420 nan 0.000 0.217 373 P C 1.146 178.481 177.300 0.058 0.000 1.148 373 P CA 1.161 64.281 63.100 0.034 0.000 0.828 373 P CB 0.028 31.746 31.700 0.029 0.000 0.783 374 I N -0.820 119.802 120.570 0.086 0.000 2.333 374 I HA -0.123 4.047 4.170 0.000 0.000 0.246 374 I C 2.181 178.373 176.117 0.125 0.000 1.106 374 I CA 2.165 63.560 61.300 0.158 0.000 1.411 374 I CB -2.134 35.974 38.000 0.180 0.000 1.082 374 I HN 0.118 nan 8.210 nan 0.000 0.420 375 T N -1.632 112.970 114.554 0.079 0.000 2.915 375 T HA -0.142 4.208 4.350 0.000 0.000 0.269 375 T C 1.480 176.177 174.700 -0.005 0.000 1.071 375 T CA 1.264 63.388 62.100 0.040 0.000 1.132 375 T CB -0.345 68.544 68.868 0.034 0.000 0.878 375 T HN 0.121 nan 8.240 nan 0.000 0.479 376 D N 0.975 121.375 120.400 -0.000 0.000 2.117 376 D HA 0.087 4.728 4.640 0.000 0.000 0.198 376 D C 2.089 178.357 176.300 -0.054 0.000 0.982 376 D CA 0.942 54.928 54.000 -0.023 0.000 0.828 376 D CB -0.323 40.471 40.800 -0.011 0.000 0.967 376 D HN 0.391 nan 8.370 nan 0.000 0.464 377 M N -0.233 119.336 119.600 -0.052 0.000 2.117 377 M HA -0.092 4.388 4.480 0.000 0.000 0.262 377 M C 2.120 178.267 176.300 -0.254 0.000 1.065 377 M CA 1.070 56.297 55.300 -0.122 0.000 1.114 377 M CB -0.169 32.398 32.600 -0.056 0.000 1.361 377 M HN 0.026 nan 8.290 nan 0.000 0.408 378 I N -0.214 120.193 120.570 -0.272 0.000 2.226 378 I HA -0.202 3.968 4.170 0.000 0.000 0.245 378 I C 2.584 178.591 176.117 -0.183 0.000 1.100 378 I CA 1.437 62.555 61.300 -0.305 0.000 1.374 378 I CB -0.999 36.895 38.000 -0.178 0.000 1.057 378 I HN 0.373 nan 8.210 nan 0.000 0.413 379 G N 0.458 109.186 108.800 -0.120 0.000 2.422 379 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 379 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 379 G C 1.849 176.691 174.900 -0.096 0.000 1.146 379 G CA 0.799 45.845 45.100 -0.090 0.000 0.769 379 G HN 0.494 nan 8.290 nan 0.000 0.547 380 A N 0.542 123.297 122.820 -0.107 0.000 1.929 380 A HA 0.154 4.474 4.320 0.000 0.000 0.216 380 A C 2.366 179.878 177.584 -0.120 0.000 1.176 380 A CA 0.962 52.938 52.037 -0.102 0.000 0.628 380 A CB -0.268 18.673 19.000 -0.098 0.000 0.816 380 A HN 0.369 nan 8.150 nan 0.000 0.444 381 I N 0.136 120.608 120.570 -0.163 0.000 2.226 381 I HA -0.245 3.925 4.170 0.000 0.000 0.245 381 I C 1.948 177.990 176.117 -0.126 0.000 1.100 381 I CA 1.067 62.267 61.300 -0.167 0.000 1.374 381 I CB -0.391 37.462 38.000 -0.245 0.000 1.057 381 I HN 0.292 nan 8.210 nan 0.000 0.413 382 N N 1.143 119.771 118.700 -0.120 0.000 2.289 382 N HA -0.096 4.644 4.740 0.000 0.000 0.184 382 N C 1.640 177.105 175.510 -0.074 0.000 1.016 382 N CA 1.373 54.368 53.050 -0.091 0.000 0.872 382 N CB -0.216 38.221 38.487 -0.083 0.000 0.973 382 N HN 0.321 nan 8.380 nan 0.000 0.433 383 A N -0.186 122.590 122.820 -0.074 0.000 2.235 383 A HA 0.386 4.706 4.320 0.000 0.000 0.208 383 A C 1.278 178.827 177.584 -0.057 0.000 1.172 383 A CA 0.775 52.776 52.037 -0.060 0.000 0.786 383 A CB -0.283 18.683 19.000 -0.058 0.000 0.804 383 A HN 0.311 nan 8.150 nan 0.000 0.479 384 G N -0.596 108.166 108.800 -0.064 0.000 2.145 384 G HA2 -0.157 3.803 3.960 0.000 0.000 0.176 384 G HA3 -0.157 3.803 3.960 0.000 0.000 0.176 384 G C -0.345 174.519 174.900 -0.060 0.000 1.013 384 G CA -0.080 44.986 45.100 -0.056 0.000 0.689 384 G HN 0.397 nan 8.290 nan 0.000 0.506 385 N N 1.038 119.691 118.700 -0.078 0.000 2.990 385 N HA 0.235 4.975 4.740 0.000 0.000 0.288 385 N C -1.574 173.867 175.510 -0.115 0.000 1.624 385 N CA -0.878 52.117 53.050 -0.091 0.000 0.961 385 N CB 1.781 40.208 38.487 -0.101 0.000 1.259 385 N HN 0.240 nan 8.380 nan 0.000 0.489 386 P HA -0.087 nan 4.420 nan 0.000 0.225 386 P C 1.351 178.538 177.300 -0.189 0.000 1.148 386 P CA 0.800 63.860 63.100 -0.067 0.000 0.779 386 P CB 0.220 31.934 31.700 0.023 0.000 0.780 387 G N 0.180 108.813 108.800 -0.279 0.000 2.708 387 G HA2 -0.140 3.820 3.960 0.000 0.000 0.210 387 G HA3 -0.140 3.820 3.960 0.000 0.000 0.210 387 G C 1.435 175.940 174.900 -0.657 0.000 1.141 387 G CA -0.056 44.622 45.100 -0.704 0.000 0.788 387 G HN 0.282 nan 8.290 nan 0.000 0.531 388 I N 0.845 121.192 120.570 -0.372 0.000 3.111 388 I HA -0.046 4.124 4.170 0.000 0.000 0.272 388 I C 3.036 179.040 176.117 -0.188 0.000 1.268 388 I CA 0.334 61.483 61.300 -0.252 0.000 1.467 388 I CB -0.004 37.890 38.000 -0.177 0.000 1.087 388 I HN 0.225 nan 8.210 nan 0.000 0.467 389 A N 2.584 125.268 122.820 -0.226 0.000 1.884 389 A HA -0.175 4.145 4.320 0.000 0.000 0.219 389 A C -0.023 177.597 177.584 0.059 0.000 1.197 389 A CA 2.025 54.089 52.037 0.044 0.000 0.637 389 A CB -2.073 17.045 19.000 0.196 0.000 0.827 389 A HN 0.295 nan 8.150 nan 0.000 0.450 390 P HA -0.021 nan 4.420 nan 0.000 0.234 390 P C 0.707 177.928 177.300 -0.132 0.000 1.167 390 P CA 0.752 63.566 63.100 -0.477 0.000 0.763 390 P CB 0.055 31.188 31.700 -0.946 0.000 0.835 391 L N -2.729 118.453 121.223 -0.068 0.000 2.425 391 L HA 0.198 4.538 4.340 0.000 0.000 0.215 391 L C 2.251 179.193 176.870 0.121 0.000 1.065 391 L CA 0.699 55.543 54.840 0.007 0.000 0.842 391 L CB -1.283 40.759 42.059 -0.028 0.000 1.033 391 L HN -0.174 nan 8.230 nan 0.000 0.474 392 F N 0.986 120.929 119.950 -0.012 0.000 2.146 392 F HA 0.017 4.544 4.527 0.000 0.000 0.298 392 F C 2.188 178.026 175.800 0.064 0.000 1.096 392 F CA 1.375 59.389 58.000 0.022 0.000 1.275 392 F CB -0.763 38.256 39.000 0.031 0.000 1.008 392 F HN 0.054 nan 8.300 nan 0.000 0.480 393 G N 0.622 109.476 108.800 0.089 0.000 2.480 393 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 393 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 393 G C -0.624 174.289 174.900 0.022 0.000 1.200 393 G CA 0.954 46.085 45.100 0.052 0.000 0.782 393 G HN 0.279 nan 8.290 nan 0.000 0.554 394 P HA -0.030 nan 4.420 nan 0.000 0.216 394 P C 2.185 179.524 177.300 0.064 0.000 1.150 394 P CA 1.924 65.095 63.100 0.118 0.000 0.837 394 P CB -0.117 31.646 31.700 0.105 0.000 0.786 395 A N -1.037 121.774 122.820 -0.016 0.000 1.902 395 A HA -0.189 4.131 4.320 0.000 0.000 0.217 395 A C 2.108 179.582 177.584 -0.184 0.000 1.181 395 A CA 1.720 53.726 52.037 -0.052 0.000 0.623 395 A CB -1.359 17.649 19.000 0.012 0.000 0.818 395 A HN 0.041 nan 8.150 nan 0.000 0.443 396 M N -1.884 117.473 119.600 -0.404 0.000 2.175 396 M HA -0.090 4.390 4.480 0.000 0.000 0.264 396 M C 2.169 178.090 176.300 -0.630 0.000 1.063 396 M CA 1.387 56.280 55.300 -0.680 0.000 1.119 396 M CB -1.307 30.527 32.600 -1.278 0.000 1.377 396 M HN 0.675 nan 8.290 nan 0.000 0.415 397 Y N 1.832 121.840 120.300 -0.487 0.000 2.145 397 Y HA -0.193 4.357 4.550 0.000 0.000 0.286 397 Y C 2.177 177.978 175.900 -0.165 0.000 1.145 397 Y CA 1.703 59.709 58.100 -0.157 0.000 1.148 397 Y CB -0.120 38.384 38.460 0.073 0.000 0.981 397 Y HN 0.185 nan 8.280 nan 0.000 0.507 398 E N 0.634 120.717 120.200 -0.195 0.000 2.106 398 E HA -0.167 4.183 4.350 0.000 0.000 0.192 398 E C 2.170 178.560 176.600 -0.350 0.000 0.984 398 E CA 1.651 57.894 56.400 -0.262 0.000 0.806 398 E CB -0.663 29.004 29.700 -0.054 0.000 0.750 398 E HN 0.805 nan 8.360 nan 0.000 0.458 399 I N -0.950 119.438 120.570 -0.303 0.000 2.493 399 I HA -0.108 4.062 4.170 0.000 0.000 0.254 399 I C 1.987 177.783 176.117 -0.536 0.000 1.160 399 I CA 1.308 62.432 61.300 -0.292 0.000 1.445 399 I CB -0.792 37.121 38.000 -0.145 0.000 1.086 399 I HN -0.202 nan 8.210 nan 0.000 0.433 400 T N 0.900 115.065 114.554 -0.647 0.000 2.732 400 T HA -0.133 4.217 4.350 0.000 0.000 0.261 400 T C 1.815 175.839 174.700 -1.127 0.000 1.040 400 T CA 1.773 63.246 62.100 -1.045 0.000 1.145 400 T CB -0.239 68.192 68.868 -0.728 0.000 0.866 400 T HN 0.451 nan 8.240 nan 0.000 0.427 401 K N 0.586 120.454 120.400 -0.886 0.000 2.032 401 K HA -0.096 4.224 4.320 0.000 0.000 0.209 401 K C 2.318 178.598 176.600 -0.534 0.000 1.048 401 K CA 1.207 57.073 56.287 -0.701 0.000 0.927 401 K CB -0.335 31.753 32.500 -0.686 0.000 0.712 401 K HN 0.164 nan 8.250 nan 0.000 0.441 402 L N 0.831 121.771 121.223 -0.473 0.000 2.056 402 L HA -0.012 4.328 4.340 0.000 0.000 0.207 402 L C 2.170 178.821 176.870 -0.366 0.000 1.078 402 L CA 2.233 56.875 54.840 -0.330 0.000 0.749 402 L CB -0.921 40.992 42.059 -0.242 0.000 0.901 402 L HN 0.309 nan 8.230 nan 0.000 0.433 403 G N -0.414 108.029 108.800 -0.594 0.000 2.421 403 G HA2 -0.234 3.727 3.960 0.000 0.000 0.216 403 G HA3 -0.234 3.727 3.960 0.000 0.000 0.216 403 G C 1.599 176.226 174.900 -0.456 0.000 1.171 403 G CA 1.063 45.799 45.100 -0.607 0.000 0.775 403 G HN 0.426 nan 8.290 nan 0.000 0.543 404 L N 0.661 121.459 121.223 -0.709 0.000 2.042 404 L HA -0.084 4.256 4.340 0.000 0.000 0.210 404 L C 3.396 180.182 176.870 -0.139 0.000 1.076 404 L CA 1.087 55.764 54.840 -0.271 0.000 0.749 404 L CB -0.378 41.447 42.059 -0.390 0.000 0.893 404 L HN 0.322 nan 8.230 nan 0.000 0.432 405 A N -0.058 122.643 122.820 -0.199 0.000 1.855 405 A HA -0.115 4.205 4.320 0.000 0.000 0.215 405 A C 2.550 180.092 177.584 -0.069 0.000 1.191 405 A CA 1.545 53.510 52.037 -0.120 0.000 0.613 405 A CB -0.847 18.073 19.000 -0.133 0.000 0.829 405 A HN 0.363 nan 8.150 nan 0.000 0.442 406 A N -0.336 122.438 122.820 -0.076 0.000 1.908 406 A HA -0.134 4.186 4.320 0.000 0.000 0.218 406 A C 2.253 179.843 177.584 0.010 0.000 1.181 406 A CA 2.557 54.575 52.037 -0.031 0.000 0.627 406 A CB -1.277 17.704 19.000 -0.031 0.000 0.818 406 A HN 0.880 nan 8.150 nan 0.000 0.445 407 T N -3.647 110.933 114.554 0.043 0.000 3.122 407 T HA 0.166 4.516 4.350 0.000 0.000 0.250 407 T C 0.332 175.075 174.700 0.072 0.000 1.067 407 T CA 0.364 62.514 62.100 0.083 0.000 0.966 407 T CB -0.981 67.985 68.868 0.164 0.000 1.002 407 T HN 0.609 nan 8.240 nan 0.000 0.542 408 N N 0.749 119.473 118.700 0.040 0.000 2.714 408 N HA -0.177 4.563 4.740 0.000 0.000 0.253 408 N C 0.434 175.981 175.510 0.061 0.000 1.024 408 N CA 0.134 53.202 53.050 0.030 0.000 0.726 408 N CB -0.914 37.586 38.487 0.022 0.000 0.908 408 N HN 0.669 nan 8.380 nan 0.000 0.542 409 A N -0.549 122.334 122.820 0.105 0.000 2.503 409 A HA 0.194 4.514 4.320 0.000 0.000 0.263 409 A C 1.453 179.150 177.584 0.188 0.000 1.258 409 A CA -0.306 51.841 52.037 0.183 0.000 0.936 409 A CB 0.258 19.465 19.000 0.345 0.000 1.070 409 A HN 0.328 nan 8.150 nan 0.000 0.522 410 N N 0.707 119.441 118.700 0.056 0.000 2.459 410 N HA -0.055 4.685 4.740 0.000 0.000 0.181 410 N C -0.632 174.840 175.510 -0.064 0.000 1.046 410 N CA 0.886 53.917 53.050 -0.030 0.000 0.904 410 N CB 0.265 38.688 38.487 -0.108 0.000 0.964 410 N HN 0.431 nan 8.380 nan 0.000 0.444 411 D N 0.491 120.883 120.400 -0.015 0.000 2.328 411 D HA 0.219 4.859 4.640 0.000 0.000 0.243 411 D C -0.668 175.656 176.300 0.039 0.000 1.324 411 D CA -0.396 53.593 54.000 -0.017 0.000 0.966 411 D CB 0.475 41.252 40.800 -0.038 0.000 1.324 411 D HN 0.091 nan 8.370 nan 0.000 0.549 412 I N -1.045 119.565 120.570 0.067 0.000 2.910 412 I HA 0.915 5.085 4.170 0.000 0.000 0.310 412 I C -1.183 175.057 176.117 0.204 0.000 1.043 412 I CA -1.017 60.348 61.300 0.108 0.000 1.053 412 I CB 2.487 40.524 38.000 0.062 0.000 1.242 412 I HN 0.298 nan 8.210 nan 0.000 0.452 413 W N 2.782 124.062 121.300 -0.034 0.000 3.372 413 W HA 0.719 5.379 4.660 0.000 0.000 0.315 413 W C -0.841 175.626 176.519 -0.088 0.000 1.223 413 W CA 0.058 57.376 57.345 -0.044 0.000 1.202 413 W CB 1.858 31.287 29.460 -0.053 0.000 1.367 413 W HN 1.036 nan 8.180 nan 0.000 0.531 414 G N 1.940 110.297 108.800 -0.738 0.000 2.348 414 G HA2 0.251 4.211 3.960 0.000 0.000 0.296 414 G HA3 0.251 4.211 3.960 0.000 0.000 0.296 414 G C -1.846 172.518 174.900 -0.894 0.000 1.258 414 G CA -1.140 43.452 45.100 -0.848 0.000 0.868 414 G HN 0.547 nan 8.290 nan 0.000 0.488 415 W N 1.149 122.157 121.300 -0.486 0.000 2.126 415 W HA 0.349 5.009 4.660 0.000 0.000 0.346 415 W C 2.186 178.426 176.519 -0.466 0.000 1.279 415 W CA 0.367 57.436 57.345 -0.459 0.000 1.259 415 W CB 1.149 30.402 29.460 -0.346 0.000 1.133 415 W HN 0.800 nan 8.180 nan 0.000 0.592 416 S N 1.069 116.567 115.700 -0.335 0.000 2.378 416 S HA -0.424 4.046 4.470 0.000 0.000 0.229 416 S C 1.722 176.093 174.600 -0.382 0.000 1.052 416 S CA 2.036 59.915 58.200 -0.535 0.000 1.084 416 S CB -0.712 61.870 63.200 -1.029 0.000 0.950 416 S HN 0.680 nan 8.310 nan 0.000 0.440 417 K N 1.471 121.636 120.400 -0.391 0.000 2.147 417 K HA -0.153 4.167 4.320 0.000 0.000 0.205 417 K C 1.305 177.727 176.600 -0.298 0.000 1.049 417 K CA 1.753 57.735 56.287 -0.507 0.000 0.936 417 K CB -0.466 31.811 32.500 -0.372 0.000 0.722 417 K HN 0.312 nan 8.250 nan 0.000 0.446 418 D N 1.134 121.445 120.400 -0.148 0.000 2.224 418 D HA -0.096 4.545 4.640 0.000 0.000 0.205 418 D C 1.939 178.202 176.300 -0.061 0.000 0.965 418 D CA 1.559 55.506 54.000 -0.089 0.000 0.852 418 D CB 0.352 41.120 40.800 -0.054 0.000 0.947 418 D HN 0.370 nan 8.370 nan 0.000 0.494 419 V N -2.586 117.316 119.914 -0.020 0.000 3.661 419 V HA 0.156 4.276 4.120 0.000 0.000 0.271 419 V C 1.711 178.038 176.094 0.388 0.000 1.315 419 V CA 0.230 62.625 62.300 0.158 0.000 1.072 419 V CB 0.069 32.016 31.823 0.207 0.000 0.830 419 V HN -0.084 nan 8.190 nan 0.000 0.443 420 Q N -0.139 119.722 119.800 0.102 0.000 2.376 420 Q HA 0.342 4.682 4.340 0.000 0.000 0.206 420 Q C 0.034 176.122 176.000 0.147 0.000 0.921 420 Q CA 0.317 56.150 55.803 0.050 0.000 0.911 420 Q CB 0.391 28.933 28.738 -0.326 0.000 1.032 420 Q HN 0.675 nan 8.270 nan 0.000 0.510 421 F N 1.109 121.046 119.950 -0.021 0.000 2.371 421 F HA 0.120 4.647 4.527 0.000 0.000 0.363 421 F C 0.061 175.743 175.800 -0.197 0.000 1.122 421 F CA -0.870 56.984 58.000 -0.244 0.000 1.129 421 F CB 0.599 39.289 39.000 -0.518 0.000 1.173 421 F HN 0.129 nan 8.300 nan 0.000 0.489 422 Y N 1.998 122.439 120.300 0.235 0.000 2.791 422 Y HA 0.476 5.026 4.550 0.000 0.000 0.263 422 Y C -0.801 175.370 175.900 0.452 0.000 1.089 422 Y CA -0.729 57.563 58.100 0.320 0.000 1.253 422 Y CB 0.001 38.708 38.460 0.411 0.000 1.360 422 Y HN 0.101 nan 8.280 nan 0.000 0.569 423 I N 2.954 123.638 120.570 0.191 0.000 2.418 423 I HA 0.386 4.556 4.170 0.000 0.000 0.287 423 I C -0.493 175.630 176.117 0.011 0.000 1.008 423 I CA -1.254 60.109 61.300 0.105 0.000 1.104 423 I CB 1.852 39.785 38.000 -0.112 0.000 1.264 423 I HN 0.187 nan 8.210 nan 0.000 0.438 424 K N 3.407 123.768 120.400 -0.065 0.000 2.118 424 K HA 0.580 4.900 4.320 0.000 0.000 0.254 424 K C 0.857 177.428 176.600 -0.049 0.000 0.961 424 K CA -0.540 55.594 56.287 -0.254 0.000 0.876 424 K CB 2.120 34.439 32.500 -0.302 0.000 1.077 424 K HN 0.634 nan 8.250 nan 0.000 0.440 425 A N 0.833 123.640 122.820 -0.021 0.000 2.125 425 A HA -0.123 4.197 4.320 0.000 0.000 0.219 425 A C 1.709 179.546 177.584 0.421 0.000 1.156 425 A CA 1.921 54.102 52.037 0.241 0.000 0.671 425 A CB -0.851 18.291 19.000 0.237 0.000 0.794 425 A HN 0.847 nan 8.150 nan 0.000 0.459 426 T N -3.399 111.275 114.554 0.201 0.000 3.148 426 T HA 0.098 4.448 4.350 0.000 0.000 0.253 426 T C 0.896 175.732 174.700 0.227 0.000 1.134 426 T CA 0.784 62.987 62.100 0.172 0.000 1.051 426 T CB -0.717 68.198 68.868 0.078 0.000 0.959 426 T HN 0.290 nan 8.240 nan 0.000 0.525 427 T N 1.935 116.685 114.554 0.326 0.000 2.802 427 T HA 0.333 4.683 4.350 0.000 0.000 0.305 427 T C 0.143 175.100 174.700 0.428 0.000 1.053 427 T CA -0.808 61.512 62.100 0.366 0.000 1.058 427 T CB 0.002 69.101 68.868 0.385 0.000 0.988 427 T HN 0.340 nan 8.240 nan 0.000 0.539 428 L N 4.444 125.889 121.223 0.370 0.000 2.578 428 L HA 0.199 4.539 4.340 0.000 0.000 0.279 428 L C 0.370 177.421 176.870 0.301 0.000 1.227 428 L CA 0.325 55.344 54.840 0.298 0.000 0.900 428 L CB 0.142 42.407 42.059 0.344 0.000 1.144 428 L HN 0.544 nan 8.230 nan 0.000 0.496 429 R N 6.925 127.407 120.500 -0.030 0.000 2.296 429 R HA 0.392 4.732 4.340 0.000 0.000 0.323 429 R C -0.749 175.585 176.300 0.056 0.000 1.067 429 R CA 0.004 55.862 56.100 -0.404 0.000 0.946 429 R CB -0.435 29.503 30.300 -0.603 0.000 0.991 429 R HN 0.670 nan 8.270 nan 0.000 0.448 430 L N 0.497 121.952 121.223 0.387 0.000 2.303 430 L HA 0.547 4.887 4.340 0.000 0.000 0.256 430 L C 0.349 177.618 176.870 0.665 0.000 1.034 430 L CA -0.895 54.233 54.840 0.480 0.000 0.832 430 L CB 2.378 44.733 42.059 0.494 0.000 1.403 430 L HN 0.393 nan 8.230 nan 0.000 0.419 431 T N 0.050 114.897 114.554 0.489 0.000 2.863 431 T HA 0.508 4.858 4.350 0.000 0.000 0.285 431 T C -1.055 173.839 174.700 0.323 0.000 1.009 431 T CA -0.446 61.909 62.100 0.426 0.000 0.989 431 T CB 1.290 70.477 68.868 0.532 0.000 1.004 431 T HN 0.617 nan 8.240 nan 0.000 0.455 432 E N 1.508 121.711 120.200 0.005 0.000 2.263 432 E HA 0.672 5.022 4.350 0.000 0.000 0.264 432 E C -0.097 176.453 176.600 -0.083 0.000 0.923 432 E CA -1.292 55.084 56.400 -0.041 0.000 0.802 432 E CB 2.114 31.679 29.700 -0.225 0.000 1.228 432 E HN 0.731 nan 8.360 nan 0.000 0.417 433 G N -0.472 108.035 108.800 -0.488 0.000 3.140 433 G HA2 0.711 4.671 3.960 0.000 0.000 0.271 433 G HA3 0.711 4.671 3.960 0.000 0.000 0.271 433 G C 0.041 174.881 174.900 -0.099 0.000 1.370 433 G CA -0.162 44.656 45.100 -0.469 0.000 1.014 433 G HN 0.777 nan 8.290 nan 0.000 0.541 434 G N -1.765 107.080 108.800 0.074 0.000 2.484 434 G HA2 0.526 4.486 3.960 0.000 0.000 0.225 434 G HA3 0.526 4.486 3.960 0.000 0.000 0.225 434 G C 0.507 175.593 174.900 0.310 0.000 1.250 434 G CA 0.733 45.937 45.100 0.173 0.000 0.926 434 G HN 2.664 nan 8.290 nan 0.000 0.581 435 G N -1.947 106.990 108.800 0.229 0.000 2.344 435 G HA2 0.711 4.671 3.960 0.000 0.000 0.282 435 G HA3 0.711 4.671 3.960 0.000 0.000 0.282 435 G C -0.459 174.420 174.900 -0.035 0.000 1.281 435 G CA 1.046 46.260 45.100 0.190 0.000 0.877 435 G HN 2.485 nan 8.290 nan 0.000 0.494 436 A N -1.054 121.550 122.820 -0.360 0.000 2.325 436 A HA 0.816 5.136 4.320 0.000 0.000 0.333 436 A C -0.633 176.567 177.584 -0.640 0.000 1.155 436 A CA -0.569 51.031 52.037 -0.729 0.000 0.814 436 A CB 1.813 20.069 19.000 -1.240 0.000 1.206 436 A HN 1.561 nan 8.150 nan 0.000 0.482 437 V N 2.764 122.249 119.914 -0.715 0.000 2.407 437 V HA 0.322 4.442 4.120 0.000 0.000 0.291 437 V C -0.348 175.334 176.094 -0.688 0.000 1.018 437 V CA -0.500 61.388 62.300 -0.686 0.000 0.842 437 V CB 1.451 32.739 31.823 -0.890 0.000 0.996 437 V HN 0.648 nan 8.190 nan 0.000 0.426 438 V N 4.828 124.345 119.914 -0.661 0.000 2.432 438 V HA 0.708 4.828 4.120 0.000 0.000 0.275 438 V C 0.362 175.888 176.094 -0.946 0.000 1.043 438 V CA 0.376 62.302 62.300 -0.623 0.000 0.925 438 V CB 1.339 32.916 31.823 -0.411 0.000 0.985 438 V HN 1.028 nan 8.190 nan 0.000 0.466 439 T N 2.577 116.668 114.554 -0.772 0.000 2.653 439 T HA 0.414 4.764 4.350 0.000 0.000 0.306 439 T C -0.499 173.951 174.700 -0.418 0.000 1.426 439 T CA 0.106 61.630 62.100 -0.959 0.000 1.008 439 T CB 1.674 70.140 68.868 -0.670 0.000 1.692 439 T HN 0.829 nan 8.240 nan 0.000 0.483 440 S N 0.539 116.101 115.700 -0.231 0.000 2.610 440 S HA 0.419 4.889 4.470 0.000 0.000 0.273 440 S C 1.182 175.758 174.600 -0.041 0.000 1.274 440 S CA -0.527 57.671 58.200 -0.004 0.000 1.023 440 S CB 1.357 64.616 63.200 0.098 0.000 0.962 440 S HN 0.871 nan 8.310 nan 0.000 0.523 441 R N 1.382 121.881 120.500 -0.003 0.000 2.117 441 R HA -0.142 4.198 4.340 0.000 0.000 0.243 441 R C 2.140 178.444 176.300 0.008 0.000 1.143 441 R CA 1.641 57.740 56.100 -0.001 0.000 0.968 441 R CB -0.988 29.320 30.300 0.013 0.000 0.863 441 R HN 0.873 nan 8.270 nan 0.000 0.444 442 A N 0.184 123.013 122.820 0.015 0.000 2.121 442 A HA -0.120 4.200 4.320 0.000 0.000 0.218 442 A C 1.632 179.223 177.584 0.013 0.000 1.154 442 A CA 1.432 53.481 52.037 0.021 0.000 0.679 442 A CB -0.393 18.623 19.000 0.027 0.000 0.795 442 A HN 0.425 nan 8.150 nan 0.000 0.458 443 N N -0.434 118.260 118.700 -0.011 0.000 2.322 443 N HA 0.177 4.917 4.740 0.000 0.000 0.194 443 N C 1.079 176.569 175.510 -0.034 0.000 1.126 443 N CA 0.051 53.086 53.050 -0.026 0.000 0.845 443 N CB -0.437 38.009 38.487 -0.068 0.000 0.976 443 N HN 0.499 nan 8.380 nan 0.000 0.475 444 I N 0.014 120.571 120.570 -0.023 0.000 2.127 444 I HA -0.302 3.868 4.170 0.000 0.000 0.241 444 I C 2.233 178.350 176.117 0.001 0.000 1.075 444 I CA 1.250 62.534 61.300 -0.027 0.000 1.334 444 I CB -0.363 37.655 38.000 0.030 0.000 1.040 444 I HN 0.184 nan 8.210 nan 0.000 0.405 445 A N 0.300 123.153 122.820 0.054 0.000 1.883 445 A HA -0.246 4.074 4.320 0.000 0.000 0.217 445 A C 2.380 180.016 177.584 0.087 0.000 1.186 445 A CA 2.687 54.776 52.037 0.087 0.000 0.624 445 A CB -1.204 17.853 19.000 0.094 0.000 0.822 445 A HN 0.413 nan 8.150 nan 0.000 0.444 446 T N -0.438 114.162 114.554 0.077 0.000 2.708 446 T HA -0.117 4.233 4.350 0.000 0.000 0.266 446 T C 1.888 176.683 174.700 0.159 0.000 1.037 446 T CA 1.567 63.732 62.100 0.108 0.000 1.146 446 T CB -0.467 68.450 68.868 0.081 0.000 0.865 446 T HN 0.154 nan 8.240 nan 0.000 0.435 447 V N 1.314 121.297 119.914 0.115 0.000 2.343 447 V HA -0.139 3.981 4.120 0.000 0.000 0.247 447 V C 2.374 178.577 176.094 0.181 0.000 1.051 447 V CA 1.504 63.908 62.300 0.174 0.000 1.036 447 V CB -0.560 31.212 31.823 -0.085 0.000 0.654 447 V HN 0.485 nan 8.190 nan 0.000 0.451 448 I N 0.300 120.896 120.570 0.043 0.000 2.252 448 I HA -0.225 3.946 4.170 0.000 0.000 0.245 448 I C 2.510 178.709 176.117 0.137 0.000 1.102 448 I CA 1.678 62.977 61.300 -0.002 0.000 1.385 448 I CB -0.522 37.373 38.000 -0.175 0.000 1.064 448 I HN 0.436 nan 8.210 nan 0.000 0.414 449 N N 1.005 119.817 118.700 0.185 0.000 2.142 449 N HA -0.209 4.531 4.740 0.000 0.000 0.186 449 N C 1.379 177.056 175.510 0.279 0.000 1.023 449 N CA 1.622 54.813 53.050 0.235 0.000 0.852 449 N CB -0.022 38.583 38.487 0.197 0.000 0.998 449 N HN 0.223 nan 8.380 nan 0.000 0.424 450 D N 0.289 120.879 120.400 0.316 0.000 2.092 450 D HA -0.154 4.486 4.640 0.000 0.000 0.193 450 D C 1.608 178.161 176.300 0.422 0.000 0.994 450 D CA 0.818 55.035 54.000 0.361 0.000 0.828 450 D CB -0.643 40.423 40.800 0.443 0.000 0.963 450 D HN 0.291 nan 8.370 nan 0.000 0.450 451 F N 1.481 121.658 119.950 0.377 0.000 2.075 451 F HA -0.219 4.308 4.527 0.000 0.000 0.297 451 F C 2.534 178.506 175.800 0.287 0.000 1.113 451 F CA 2.264 60.481 58.000 0.362 0.000 1.218 451 F CB -0.753 38.426 39.000 0.299 0.000 0.984 451 F HN 0.014 nan 8.300 nan 0.000 0.472 452 T N -2.255 112.449 114.554 0.250 0.000 2.788 452 T HA -0.163 4.187 4.350 0.000 0.000 0.268 452 T C 1.775 176.662 174.700 0.311 0.000 1.044 452 T CA 1.385 63.616 62.100 0.218 0.000 1.139 452 T CB -0.509 68.420 68.868 0.102 0.000 0.867 452 T HN 0.259 nan 8.240 nan 0.000 0.454 453 E N 0.158 120.557 120.200 0.333 0.000 2.106 453 E HA -0.055 4.295 4.350 0.000 0.000 0.192 453 E C 1.668 178.356 176.600 0.147 0.000 0.984 453 E CA 0.847 57.450 56.400 0.338 0.000 0.806 453 E CB -0.450 29.421 29.700 0.285 0.000 0.750 453 E HN 0.795 nan 8.360 nan 0.000 0.458 454 W N 0.819 122.001 121.300 -0.196 0.000 2.355 454 W HA -0.216 4.444 4.660 0.000 0.000 0.309 454 W C 2.154 178.413 176.519 -0.434 0.000 1.206 454 W CA 1.513 58.558 57.345 -0.499 0.000 1.284 454 W CB -0.667 28.096 29.460 -1.160 0.000 1.145 454 W HN 0.040 nan 8.180 nan 0.000 0.502 455 F N 0.384 120.080 119.950 -0.424 0.000 2.095 455 F HA -0.285 4.242 4.527 0.000 0.000 0.298 455 F C 2.947 178.447 175.800 -0.500 0.000 1.104 455 F CA 2.670 60.354 58.000 -0.526 0.000 1.232 455 F CB -1.145 37.561 39.000 -0.489 0.000 0.987 455 F HN 0.029 nan 8.300 nan 0.000 0.475 456 H N 0.100 119.010 119.070 -0.266 0.000 2.352 456 H HA -0.185 4.371 4.556 0.000 0.000 0.299 456 H C 2.261 177.370 175.328 -0.364 0.000 1.097 456 H CA 1.854 57.702 56.048 -0.333 0.000 1.311 456 H CB -0.308 29.360 29.762 -0.157 0.000 1.377 456 H HN 0.369 nan 8.280 nan 0.000 0.504 457 E N 0.944 120.962 120.200 -0.304 0.000 2.077 457 E HA -0.167 4.183 4.350 0.000 0.000 0.193 457 E C 2.333 178.613 176.600 -0.533 0.000 0.989 457 E CA 0.665 56.856 56.400 -0.348 0.000 0.800 457 E CB 0.013 29.531 29.700 -0.304 0.000 0.746 457 E HN 0.392 nan 8.360 nan 0.000 0.452 458 R N 0.559 120.586 120.500 -0.788 0.000 2.073 458 R HA -0.069 4.271 4.340 0.000 0.000 0.234 458 R C 2.609 178.561 176.300 -0.580 0.000 1.134 458 R CA 0.978 56.633 56.100 -0.741 0.000 0.952 458 R CB -1.079 28.667 30.300 -0.924 0.000 0.850 458 R HN 0.350 nan 8.270 nan 0.000 0.433 459 I N 1.336 121.367 120.570 -0.897 0.000 2.286 459 I HA -0.226 3.944 4.170 0.000 0.000 0.248 459 I C 1.833 177.671 176.117 -0.464 0.000 1.115 459 I CA 1.462 62.273 61.300 -0.814 0.000 1.392 459 I CB 0.053 37.319 38.000 -1.223 0.000 1.065 459 I HN 0.084 nan 8.210 nan 0.000 0.418 460 E N 0.283 120.192 120.200 -0.484 0.000 2.152 460 E HA -0.223 4.127 4.350 0.000 0.000 0.192 460 E C 1.906 178.372 176.600 -0.223 0.000 0.983 460 E CA 1.001 57.233 56.400 -0.280 0.000 0.818 460 E CB -0.412 29.084 29.700 -0.340 0.000 0.758 460 E HN 0.545 nan 8.360 nan 0.000 0.467 461 F N 0.592 120.278 119.950 -0.441 0.000 2.102 461 F HA -0.257 4.270 4.527 0.000 0.000 0.298 461 F C 2.002 177.491 175.800 -0.518 0.000 1.105 461 F CA 1.531 59.235 58.000 -0.492 0.000 1.239 461 F CB -0.497 38.108 39.000 -0.660 0.000 0.991 461 F HN -0.004 nan 8.300 nan 0.000 0.474 462 Y N -0.183 119.928 120.300 -0.314 0.000 2.263 462 Y HA -0.121 4.429 4.550 0.000 0.000 0.292 462 Y C 2.745 178.321 175.900 -0.539 0.000 1.130 462 Y CA 1.286 59.122 58.100 -0.439 0.000 1.179 462 Y CB -0.481 37.784 38.460 -0.326 0.000 0.998 462 Y HN -0.040 nan 8.280 nan 0.000 0.532 463 R N 1.153 121.446 120.500 -0.345 0.000 2.096 463 R HA -0.153 4.187 4.340 0.000 0.000 0.235 463 R C 2.115 178.196 176.300 -0.365 0.000 1.127 463 R CA 1.306 57.117 56.100 -0.482 0.000 0.968 463 R CB -0.526 29.727 30.300 -0.078 0.000 0.861 463 R HN 0.335 nan 8.270 nan 0.000 0.440 464 A N 0.990 123.627 122.820 -0.306 0.000 2.070 464 A HA -0.108 4.212 4.320 0.000 0.000 0.220 464 A C 1.750 179.158 177.584 -0.293 0.000 1.159 464 A CA 1.258 53.138 52.037 -0.261 0.000 0.656 464 A CB -0.141 18.701 19.000 -0.263 0.000 0.800 464 A HN 0.336 nan 8.150 nan 0.000 0.453 465 K N -1.613 118.558 120.400 -0.381 0.000 2.374 465 K HA 0.270 4.590 4.320 0.000 0.000 0.196 465 K C 0.889 177.336 176.600 -0.255 0.000 1.023 465 K CA 0.418 56.513 56.287 -0.321 0.000 1.103 465 K CB 0.177 32.445 32.500 -0.386 0.000 0.848 465 K HN 0.579 nan 8.250 nan 0.000 0.528 466 G N 2.056 110.668 108.800 -0.313 0.000 2.143 466 G HA2 -0.262 3.698 3.960 0.000 0.000 0.248 466 G HA3 -0.262 3.698 3.960 0.000 0.000 0.248 466 G C -0.507 174.172 174.900 -0.368 0.000 0.991 466 G CA -0.012 44.935 45.100 -0.255 0.000 0.689 466 G HN 0.375 nan 8.290 nan 0.000 0.522 467 E N -0.950 118.900 120.200 -0.585 0.000 2.183 467 E HA 0.632 4.982 4.350 0.000 0.000 0.271 467 E C -0.914 175.223 176.600 -0.771 0.000 0.919 467 E CA -0.841 55.289 56.400 -0.449 0.000 0.781 467 E CB 1.031 30.604 29.700 -0.211 0.000 1.140 467 E HN 0.164 nan 8.360 nan 0.000 0.402 468 F N 3.050 122.961 119.950 -0.066 0.000 2.531 468 F HA 0.239 4.766 4.527 0.000 0.000 0.333 468 F C -1.607 174.129 175.800 -0.106 0.000 1.292 468 F CA -1.502 56.473 58.000 -0.042 0.000 1.184 468 F CB 1.306 40.297 39.000 -0.016 0.000 1.426 468 F HN 0.352 nan 8.300 nan 0.000 0.559 469 P HA 0.030 nan 4.420 nan 0.000 0.241 469 P C -0.120 177.074 177.300 -0.176 0.000 1.191 469 P CA 0.825 63.801 63.100 -0.207 0.000 0.771 469 P CB 0.792 32.271 31.700 -0.367 0.000 0.929 470 L N 1.471 122.631 121.223 -0.105 0.000 2.377 470 L HA 0.336 4.676 4.340 0.000 0.000 0.270 470 L C 0.372 177.322 176.870 0.132 0.000 0.991 470 L CA -0.508 54.311 54.840 -0.035 0.000 0.851 470 L CB 1.355 43.283 42.059 -0.218 0.000 1.218 470 L HN -0.173 nan 8.230 nan 0.000 0.420 471 N N 0.420 119.231 118.700 0.185 0.000 2.170 471 N HA 0.214 4.954 4.740 0.000 0.000 0.222 471 N C 0.177 175.929 175.510 0.404 0.000 1.218 471 N CA -0.253 52.983 53.050 0.310 0.000 0.889 471 N CB 1.147 39.784 38.487 0.250 0.000 1.083 471 N HN 0.470 nan 8.380 nan 0.000 0.520 472 G N 0.266 109.249 108.800 0.306 0.000 2.568 472 G HA2 0.639 4.599 3.960 0.000 0.000 0.313 472 G HA3 0.639 4.599 3.960 0.000 0.000 0.313 472 G C -3.030 171.988 174.900 0.196 0.000 1.227 472 G CA -1.792 43.500 45.100 0.319 0.000 0.979 472 G HN -0.025 nan 8.290 nan 0.000 0.486 473 P HA 0.315 nan 4.420 nan 0.000 0.276 473 P C -0.427 176.827 177.300 -0.078 0.000 1.252 473 P CA -0.349 62.716 63.100 -0.059 0.000 0.802 473 P CB 1.827 33.355 31.700 -0.288 0.000 1.035 474 V N 1.739 121.548 119.914 -0.175 0.000 2.498 474 V HA 0.218 4.338 4.120 0.000 0.000 0.279 474 V C 0.595 176.711 176.094 0.037 0.000 1.048 474 V CA 0.050 62.259 62.300 -0.152 0.000 0.967 474 V CB 0.574 32.246 31.823 -0.253 0.000 0.988 474 V HN 0.635 nan 8.190 nan 0.000 0.473 475 E N 5.064 125.299 120.200 0.059 0.000 2.224 475 E HA 0.642 4.992 4.350 0.000 0.000 0.265 475 E C -1.539 175.126 176.600 0.107 0.000 0.878 475 E CA -0.584 55.882 56.400 0.110 0.000 0.759 475 E CB 1.616 31.384 29.700 0.112 0.000 1.164 475 E HN 0.629 nan 8.360 nan 0.000 0.414 476 I N 4.958 125.628 120.570 0.166 0.000 2.533 476 I HA 0.534 4.704 4.170 0.000 0.000 0.290 476 I C -0.530 175.766 176.117 0.299 0.000 1.056 476 I CA -0.763 60.610 61.300 0.121 0.000 1.057 476 I CB 1.743 39.712 38.000 -0.052 0.000 1.240 476 I HN 0.570 nan 8.210 nan 0.000 0.423 477 R N 4.117 124.799 120.500 0.304 0.000 2.692 477 R HA 0.822 5.162 4.340 0.000 0.000 0.269 477 R C -1.897 174.655 176.300 0.421 0.000 1.030 477 R CA -0.718 55.648 56.100 0.444 0.000 0.882 477 R CB 1.538 32.082 30.300 0.408 0.000 1.250 477 R HN 0.538 nan 8.270 nan 0.000 0.465 478 C N 0.576 120.120 119.300 0.407 0.000 2.667 478 C HA 0.915 5.375 4.460 0.000 0.000 0.323 478 C C 0.263 175.445 174.990 0.320 0.000 1.214 478 C CA -0.351 58.846 59.018 0.299 0.000 1.721 478 C CB 1.079 28.932 27.740 0.189 0.000 2.275 478 C HN 1.101 nan 8.230 nan 0.000 0.491 479 C N -0.127 119.339 119.300 0.277 0.000 3.293 479 C HA 0.960 5.420 4.460 0.000 0.000 0.362 479 C C 0.353 175.449 174.990 0.176 0.000 1.539 479 C CA -0.014 59.159 59.018 0.258 0.000 1.201 479 C CB 0.821 28.757 27.740 0.327 0.000 1.770 479 C HN 1.236 nan 8.230 nan 0.000 0.440 480 G N -0.180 108.740 108.800 0.199 0.000 2.525 480 G HA2 0.634 4.594 3.960 0.000 0.000 0.287 480 G HA3 0.634 4.594 3.960 0.000 0.000 0.287 480 G C -0.752 174.227 174.900 0.132 0.000 1.350 480 G CA -0.859 44.332 45.100 0.152 0.000 1.039 480 G HN 0.929 nan 8.290 nan 0.000 0.513 481 L N -0.991 120.296 121.223 0.107 0.000 2.347 481 L HA 0.339 4.679 4.340 0.000 0.000 0.268 481 L C -0.337 176.592 176.870 0.098 0.000 1.019 481 L CA -0.971 53.925 54.840 0.093 0.000 0.806 481 L CB 1.223 43.327 42.059 0.075 0.000 1.339 481 L HN 0.326 nan 8.230 nan 0.000 0.463 482 D N 1.760 122.212 120.400 0.087 0.000 2.600 482 D HA 0.043 4.683 4.640 0.000 0.000 0.226 482 D C -0.053 176.284 176.300 0.062 0.000 1.119 482 D CA 0.034 54.076 54.000 0.069 0.000 1.051 482 D CB 0.175 41.015 40.800 0.067 0.000 1.106 482 D HN 0.258 nan 8.370 nan 0.000 0.491 483 Q N 0.442 120.282 119.800 0.067 0.000 2.337 483 Q HA 0.142 4.482 4.340 0.000 0.000 0.270 483 Q C 1.086 177.114 176.000 0.047 0.000 1.002 483 Q CA -0.121 55.719 55.803 0.062 0.000 0.888 483 Q CB 1.301 30.084 28.738 0.076 0.000 1.222 483 Q HN 0.331 nan 8.270 nan 0.000 0.400 484 A N 3.045 125.889 122.820 0.039 0.000 1.930 484 A HA -0.124 4.196 4.320 0.000 0.000 0.217 484 A C 1.947 179.549 177.584 0.030 0.000 1.175 484 A CA 1.666 53.721 52.037 0.030 0.000 0.627 484 A CB -0.415 18.600 19.000 0.025 0.000 0.815 484 A HN 0.796 nan 8.150 nan 0.000 0.443 485 A N 0.134 122.975 122.820 0.036 0.000 2.024 485 A HA -0.175 4.145 4.320 0.000 0.000 0.220 485 A C 1.553 179.160 177.584 0.039 0.000 1.164 485 A CA 1.797 53.856 52.037 0.037 0.000 0.643 485 A CB -0.465 18.561 19.000 0.043 0.000 0.806 485 A HN 0.476 nan 8.150 nan 0.000 0.451 486 D N -0.410 120.017 120.400 0.044 0.000 2.277 486 D HA 0.031 4.671 4.640 0.000 0.000 0.208 486 D C 0.484 176.798 176.300 0.023 0.000 0.962 486 D CA 0.469 54.493 54.000 0.040 0.000 0.865 486 D CB -0.241 40.584 40.800 0.041 0.000 0.939 486 D HN 0.211 nan 8.370 nan 0.000 0.510 487 V N 2.290 122.216 119.914 0.020 0.000 2.470 487 V HA 0.047 4.167 4.120 0.000 0.000 0.276 487 V C 1.132 177.235 176.094 0.015 0.000 1.040 487 V CA -0.031 62.277 62.300 0.013 0.000 1.008 487 V CB 1.311 33.141 31.823 0.012 0.000 0.990 487 V HN -0.091 nan 8.190 nan 0.000 0.477 488 K N 3.587 123.995 120.400 0.013 0.000 2.437 488 K HA 0.257 4.577 4.320 0.000 0.000 0.205 488 K C -0.135 176.472 176.600 0.012 0.000 1.026 488 K CA 0.174 56.468 56.287 0.012 0.000 1.153 488 K CB 0.608 33.114 32.500 0.009 0.000 0.863 488 K HN 0.673 nan 8.250 nan 0.000 0.502 489 V N -2.277 117.645 119.914 0.013 0.000 3.102 489 V HA 0.621 4.741 4.120 0.000 0.000 0.312 489 V C -2.865 173.238 176.094 0.014 0.000 1.135 489 V CA -2.971 59.337 62.300 0.014 0.000 1.022 489 V CB 1.721 33.554 31.823 0.016 0.000 1.056 489 V HN -0.184 nan 8.190 nan 0.000 0.436 490 P HA 0.302 nan 4.420 nan 0.000 0.262 490 P C -0.552 176.758 177.300 0.016 0.000 1.182 490 P CA 0.736 63.844 63.100 0.014 0.000 0.761 490 P CB 0.559 32.267 31.700 0.013 0.000 0.795 491 S N 1.620 117.329 115.700 0.015 0.000 2.536 491 S HA 0.330 4.800 4.470 0.000 0.000 0.271 491 S C 0.601 175.209 174.600 0.013 0.000 1.134 491 S CA -0.709 57.500 58.200 0.015 0.000 0.897 491 S CB 1.071 64.279 63.200 0.014 0.000 1.094 491 S HN 0.169 nan 8.310 nan 0.000 0.473 492 V N 1.691 121.613 119.914 0.013 0.000 3.406 492 V HA 0.684 4.804 4.120 0.000 0.000 0.263 492 V C 1.083 177.181 176.094 0.008 0.000 1.172 492 V CA 1.035 63.340 62.300 0.010 0.000 1.140 492 V CB -0.922 30.906 31.823 0.009 0.000 0.784 492 V HN 1.350 nan 8.190 nan 0.000 0.467 493 G N 0.284 109.090 108.800 0.010 0.000 2.362 493 G HA2 0.275 4.235 3.960 0.000 0.000 0.288 493 G HA3 0.275 4.235 3.960 0.000 0.000 0.288 493 G C -3.415 171.494 174.900 0.015 0.000 1.305 493 G CA -0.202 44.906 45.100 0.013 0.000 0.910 493 G HN 0.260 nan 8.290 nan 0.000 0.518 494 P HA 0.486 nan 4.420 nan 0.000 0.281 494 P C -2.849 174.470 177.300 0.031 0.000 1.281 494 P CA -1.473 61.646 63.100 0.032 0.000 0.811 494 P CB 0.603 32.332 31.700 0.048 0.000 1.154 495 P HA 0.032 nan 4.420 nan 0.000 0.265 495 P C 1.004 178.337 177.300 0.056 0.000 1.193 495 P CA 0.585 63.706 63.100 0.035 0.000 0.765 495 P CB -0.139 31.592 31.700 0.051 0.000 0.823 496 T N 3.154 117.724 114.554 0.026 0.000 2.708 496 T HA -0.141 4.209 4.350 0.000 0.000 0.266 496 T C 1.320 176.091 174.700 0.118 0.000 1.037 496 T CA 1.597 63.722 62.100 0.043 0.000 1.146 496 T CB -0.574 68.272 68.868 -0.036 0.000 0.865 496 T HN 0.576 nan 8.240 nan 0.000 0.435 497 I N 0.230 120.853 120.570 0.088 0.000 3.877 497 I HA 0.386 4.556 4.170 0.000 0.000 0.332 497 I C 0.288 176.527 176.117 0.203 0.000 1.525 497 I CA -0.886 60.466 61.300 0.086 0.000 1.146 497 I CB 0.063 38.052 38.000 -0.018 0.000 1.137 497 I HN -0.016 nan 8.210 nan 0.000 0.424 498 S N 0.878 116.730 115.700 0.254 0.000 2.576 498 S HA 0.543 5.013 4.470 0.000 0.000 0.276 498 S C 1.326 176.159 174.600 0.388 0.000 1.339 498 S CA -0.079 58.320 58.200 0.332 0.000 1.039 498 S CB 1.988 65.319 63.200 0.218 0.000 0.902 498 S HN 0.416 nan 8.310 nan 0.000 0.516 499 A N 1.813 124.850 122.820 0.362 0.000 2.119 499 A HA 0.062 4.382 4.320 0.000 0.000 0.217 499 A C 1.984 179.626 177.584 0.097 0.000 1.153 499 A CA 1.180 53.328 52.037 0.184 0.000 0.692 499 A CB -1.195 17.839 19.000 0.057 0.000 0.799 499 A HN 1.049 nan 8.150 nan 0.000 0.458 500 T N -2.460 112.204 114.554 0.183 0.000 3.144 500 T HA 0.185 4.535 4.350 0.000 0.000 0.249 500 T C 0.739 175.506 174.700 0.112 0.000 1.089 500 T CA -0.306 61.872 62.100 0.129 0.000 0.989 500 T CB -0.326 68.656 68.868 0.190 0.000 0.992 500 T HN 0.439 nan 8.240 nan 0.000 0.540 501 R N 2.452 123.036 120.500 0.138 0.000 2.442 501 R HA 0.253 4.593 4.340 0.000 0.000 0.291 501 R C -2.712 173.652 176.300 0.105 0.000 1.069 501 R CA -1.538 54.637 56.100 0.126 0.000 1.022 501 R CB 0.016 30.412 30.300 0.160 0.000 0.976 501 R HN 0.091 nan 8.270 nan 0.000 0.443 502 P HA 0.034 nan 4.420 nan 0.000 0.269 502 P C -0.959 176.392 177.300 0.086 0.000 1.215 502 P CA 0.026 63.181 63.100 0.093 0.000 0.780 502 P CB 0.557 32.300 31.700 0.072 0.000 0.898 503 R N 3.965 124.524 120.500 0.098 0.000 2.198 503 R HA 0.206 4.546 4.340 0.000 0.000 0.339 503 R C -1.860 174.405 176.300 -0.058 0.000 1.020 503 R CA -1.885 54.238 56.100 0.039 0.000 0.864 503 R CB 0.479 30.826 30.300 0.078 0.000 1.105 503 R HN 0.363 nan 8.270 nan 0.000 0.463 504 P HA -0.179 nan 4.420 nan 0.000 0.216 504 P C 0.630 177.814 177.300 -0.193 0.000 1.150 504 P CA 1.247 64.288 63.100 -0.099 0.000 0.843 504 P CB 0.269 31.927 31.700 -0.070 0.000 0.787 505 D N -2.768 117.463 120.400 -0.281 0.000 2.363 505 D HA -0.127 4.513 4.640 0.000 0.000 0.226 505 D C 0.211 175.974 176.300 -0.894 0.000 1.020 505 D CA 0.924 54.626 54.000 -0.497 0.000 0.892 505 D CB -0.704 39.802 40.800 -0.491 0.000 0.900 505 D HN 0.287 nan 8.370 nan 0.000 0.531 506 H N -0.226 118.532 119.070 -0.521 0.000 2.538 506 H HA 0.215 4.771 4.556 0.000 0.000 0.239 506 H C -1.989 173.080 175.328 -0.431 0.000 1.401 506 H CA -1.216 54.373 56.048 -0.765 0.000 1.499 506 H CB 1.766 30.365 29.762 -1.939 0.000 1.624 506 H HN -0.014 nan 8.280 nan 0.000 0.524 507 P HA -0.162 nan 4.420 nan 0.000 0.218 507 P C 1.388 178.696 177.300 0.013 0.000 1.146 507 P CA 1.288 64.352 63.100 -0.060 0.000 0.813 507 P CB 0.365 32.027 31.700 -0.064 0.000 0.778 508 D N -2.991 117.428 120.400 0.030 0.000 2.347 508 D HA -0.107 4.533 4.640 0.000 0.000 0.213 508 D C -0.001 176.462 176.300 0.271 0.000 0.985 508 D CA 0.125 54.200 54.000 0.125 0.000 0.879 508 D CB -0.536 40.341 40.800 0.127 0.000 0.919 508 D HN 0.102 nan 8.370 nan 0.000 0.526 509 W N 2.833 124.141 121.300 0.013 0.000 2.419 509 W HA 0.266 4.926 4.660 0.000 0.000 0.312 509 W C 0.253 176.756 176.519 -0.027 0.000 1.323 509 W CA -0.914 56.412 57.345 -0.031 0.000 1.293 509 W CB 0.503 29.933 29.460 -0.051 0.000 1.324 509 W HN 0.061 nan 8.180 nan 0.000 0.512 510 D N 0.996 121.485 120.400 0.148 0.000 2.594 510 D HA 0.175 4.815 4.640 0.000 0.000 0.256 510 D C -0.499 175.818 176.300 0.028 0.000 1.393 510 D CA -0.087 53.963 54.000 0.084 0.000 0.797 510 D CB -0.672 40.173 40.800 0.074 0.000 1.110 510 D HN 0.005 nan 8.370 nan 0.000 0.495 511 V N -3.151 116.744 119.914 -0.032 0.000 3.049 511 V HA 0.975 5.095 4.120 0.000 0.000 0.309 511 V C -1.288 174.685 176.094 -0.201 0.000 1.148 511 V CA -1.161 61.092 62.300 -0.077 0.000 0.990 511 V CB 1.702 33.481 31.823 -0.073 0.000 1.039 511 V HN 0.246 nan 8.190 nan 0.000 0.430 512 A N 3.979 126.650 122.820 -0.247 0.000 2.304 512 A HA 0.892 5.212 4.320 0.000 0.000 0.314 512 A C -0.644 176.531 177.584 -0.682 0.000 1.187 512 A CA -0.613 51.085 52.037 -0.565 0.000 0.810 512 A CB 0.702 19.326 19.000 -0.627 0.000 1.183 512 A HN 0.941 nan 8.150 nan 0.000 0.487 513 I N 2.188 122.309 120.570 -0.748 0.000 2.330 513 I HA 0.234 4.404 4.170 0.000 0.000 0.289 513 I C -1.071 174.626 176.117 -0.701 0.000 1.001 513 I CA -0.275 60.689 61.300 -0.560 0.000 1.193 513 I CB 1.031 38.769 38.000 -0.437 0.000 1.345 513 I HN 0.703 nan 8.210 nan 0.000 0.461 514 W N 7.559 128.741 121.300 -0.196 0.000 2.342 514 W HA 0.491 5.151 4.660 0.000 0.000 0.310 514 W C -0.620 175.769 176.519 -0.217 0.000 1.128 514 W CA -0.446 56.799 57.345 -0.167 0.000 1.322 514 W CB 0.355 29.794 29.460 -0.034 0.000 1.251 514 W HN 0.241 nan 8.180 nan 0.000 0.439 515 L N 5.125 126.225 121.223 -0.204 0.000 2.313 515 L HA 0.366 4.707 4.340 0.000 0.000 0.273 515 L C -0.408 176.283 176.870 -0.297 0.000 1.028 515 L CA -0.384 54.152 54.840 -0.506 0.000 0.871 515 L CB -0.020 41.374 42.059 -1.108 0.000 1.242 515 L HN 0.441 nan 8.230 nan 0.000 0.434 516 N N 1.565 120.203 118.700 -0.103 0.000 2.384 516 N HA 0.718 5.458 4.740 0.000 0.000 0.301 516 N C -1.211 174.319 175.510 0.033 0.000 1.133 516 N CA -0.699 52.353 53.050 0.004 0.000 0.853 516 N CB 2.940 41.460 38.487 0.056 0.000 1.241 516 N HN 0.078 nan 8.380 nan 0.000 0.502 517 V N 1.940 121.871 119.914 0.028 0.000 2.638 517 V HA 0.456 4.576 4.120 0.000 0.000 0.306 517 V C -0.994 175.159 176.094 0.099 0.000 1.052 517 V CA -0.706 61.633 62.300 0.064 0.000 0.885 517 V CB 1.464 33.406 31.823 0.197 0.000 0.999 517 V HN 0.410 nan 8.190 nan 0.000 0.424 518 L N 3.430 124.767 121.223 0.189 0.000 2.330 518 L HA 1.024 5.364 4.340 0.000 0.000 0.271 518 L C 0.557 177.642 176.870 0.358 0.000 1.013 518 L CA 0.131 55.138 54.840 0.279 0.000 0.816 518 L CB 1.852 44.069 42.059 0.262 0.000 1.287 518 L HN 0.840 nan 8.230 nan 0.000 0.435 519 G N 0.123 109.149 108.800 0.377 0.000 2.698 519 G HA2 0.534 4.494 3.960 0.000 0.000 0.293 519 G HA3 0.534 4.494 3.960 0.000 0.000 0.293 519 G C -1.778 173.247 174.900 0.209 0.000 1.437 519 G CA -0.627 44.639 45.100 0.277 0.000 0.852 519 G HN 0.279 nan 8.290 nan 0.000 0.499 520 V N 2.134 122.125 119.914 0.128 0.000 2.521 520 V HA 0.206 4.326 4.120 0.000 0.000 0.286 520 V C -1.738 174.347 176.094 -0.014 0.000 1.034 520 V CA -0.801 61.539 62.300 0.067 0.000 1.045 520 V CB 1.180 33.004 31.823 0.003 0.000 0.974 520 V HN 0.512 nan 8.190 nan 0.000 0.480 521 P HA 0.191 nan 4.420 nan 0.000 0.264 521 P C 0.930 178.172 177.300 -0.096 0.000 1.183 521 P CA 1.418 64.503 63.100 -0.025 0.000 0.763 521 P CB 0.556 32.295 31.700 0.065 0.000 0.807 522 G N 1.521 110.211 108.800 -0.184 0.000 2.175 522 G HA2 -0.219 3.741 3.960 0.000 0.000 0.244 522 G HA3 -0.219 3.741 3.960 0.000 0.000 0.244 522 G C 0.286 175.077 174.900 -0.181 0.000 0.982 522 G CA -0.075 44.934 45.100 -0.152 0.000 0.641 522 G HN 0.574 nan 8.290 nan 0.000 0.527 523 T N 3.595 118.012 114.554 -0.229 0.000 2.829 523 T HA 0.425 4.775 4.350 0.000 0.000 0.293 523 T C -1.976 172.596 174.700 -0.215 0.000 0.970 523 T CA -0.071 61.914 62.100 -0.192 0.000 1.168 523 T CB 1.173 69.933 68.868 -0.179 0.000 0.911 523 T HN 0.140 nan 8.240 nan 0.000 0.535 524 P HA 0.205 nan 4.420 nan 0.000 0.264 524 P C 1.087 178.298 177.300 -0.147 0.000 1.193 524 P CA 0.716 63.743 63.100 -0.122 0.000 0.763 524 P CB 0.320 31.975 31.700 -0.075 0.000 0.810 525 G N 3.067 111.779 108.800 -0.146 0.000 2.205 525 G HA2 -0.393 3.567 3.960 0.000 0.000 0.261 525 G HA3 -0.393 3.567 3.960 0.000 0.000 0.261 525 G C 0.937 175.715 174.900 -0.204 0.000 0.980 525 G CA 0.478 45.481 45.100 -0.162 0.000 0.632 525 G HN 0.542 nan 8.290 nan 0.000 0.533 526 M N -0.306 119.112 119.600 -0.304 0.000 2.086 526 M HA 0.153 4.633 4.480 0.000 0.000 0.261 526 M C 2.325 178.311 176.300 -0.523 0.000 1.067 526 M CA 2.151 57.170 55.300 -0.469 0.000 1.116 526 M CB -0.196 32.016 32.600 -0.646 0.000 1.348 526 M HN 0.330 nan 8.290 nan 0.000 0.407 527 F N 0.341 120.065 119.950 -0.378 0.000 2.234 527 F HA -0.176 4.351 4.527 0.000 0.000 0.299 527 F C 2.068 177.771 175.800 -0.161 0.000 1.087 527 F CA 0.392 58.221 58.000 -0.285 0.000 1.340 527 F CB -0.136 38.850 39.000 -0.023 0.000 1.031 527 F HN 0.207 nan 8.300 nan 0.000 0.500 528 E N 0.268 120.513 120.200 0.075 0.000 2.077 528 E HA -0.225 4.125 4.350 0.000 0.000 0.193 528 E C 1.748 178.365 176.600 0.028 0.000 0.989 528 E CA 1.138 57.569 56.400 0.052 0.000 0.800 528 E CB -0.551 29.157 29.700 0.013 0.000 0.746 528 E HN 0.386 nan 8.360 nan 0.000 0.452 529 F N -0.331 119.546 119.950 -0.122 0.000 2.206 529 F HA -0.182 4.345 4.527 0.000 0.000 0.298 529 F C 1.643 177.519 175.800 0.127 0.000 1.090 529 F CA 1.074 59.044 58.000 -0.049 0.000 1.323 529 F CB -0.093 38.828 39.000 -0.133 0.000 1.028 529 F HN 0.024 nan 8.300 nan 0.000 0.492 530 Y N 0.770 120.947 120.300 -0.206 0.000 2.274 530 Y HA -0.173 4.377 4.550 0.000 0.000 0.290 530 Y C 2.706 178.266 175.900 -0.567 0.000 1.145 530 Y CA 1.362 59.116 58.100 -0.576 0.000 1.203 530 Y CB -1.237 36.446 38.460 -1.294 0.000 0.984 530 Y HN 0.159 nan 8.280 nan 0.000 0.533 531 R N 0.728 121.132 120.500 -0.161 0.000 2.075 531 R HA -0.170 4.170 4.340 0.000 0.000 0.232 531 R C 2.201 178.506 176.300 0.009 0.000 1.126 531 R CA 1.597 57.731 56.100 0.056 0.000 0.963 531 R CB -0.287 30.091 30.300 0.129 0.000 0.858 531 R HN 0.396 nan 8.270 nan 0.000 0.435 532 E N 0.406 120.564 120.200 -0.071 0.000 2.085 532 E HA -0.275 4.075 4.350 0.000 0.000 0.194 532 E C 2.043 178.622 176.600 -0.036 0.000 0.994 532 E CA 1.700 58.072 56.400 -0.046 0.000 0.801 532 E CB -0.120 29.527 29.700 -0.089 0.000 0.743 532 E HN 0.409 nan 8.360 nan 0.000 0.453 533 M N 0.494 119.982 119.600 -0.187 0.000 2.132 533 M HA -0.166 4.314 4.480 0.000 0.000 0.263 533 M C 2.202 178.454 176.300 -0.079 0.000 1.065 533 M CA 1.790 57.033 55.300 -0.095 0.000 1.122 533 M CB -0.047 32.543 32.600 -0.018 0.000 1.365 533 M HN 0.085 nan 8.290 nan 0.000 0.411 534 E N -0.054 120.133 120.200 -0.022 0.000 2.077 534 E HA -0.265 4.085 4.350 0.000 0.000 0.193 534 E C 1.935 178.466 176.600 -0.114 0.000 0.989 534 E CA 1.688 58.086 56.400 -0.003 0.000 0.800 534 E CB -0.087 29.777 29.700 0.272 0.000 0.746 534 E HN 0.679 nan 8.360 nan 0.000 0.452 535 Q N -0.650 119.132 119.800 -0.030 0.000 2.084 535 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 535 Q C 1.754 177.682 176.000 -0.120 0.000 0.978 535 Q CA 1.626 57.404 55.803 -0.041 0.000 0.844 535 Q CB -0.291 28.462 28.738 0.025 0.000 0.898 535 Q HN 0.466 nan 8.270 nan 0.000 0.426 536 W N 0.987 122.089 121.300 -0.330 0.000 2.381 536 W HA -0.132 4.528 4.660 0.000 0.000 0.301 536 W C 1.799 178.007 176.519 -0.518 0.000 1.205 536 W CA 1.361 58.415 57.345 -0.485 0.000 1.285 536 W CB -0.090 28.822 29.460 -0.914 0.000 1.133 536 W HN 0.026 nan 8.180 nan 0.000 0.521 537 M N 0.252 119.492 119.600 -0.600 0.000 2.117 537 M HA -0.199 4.281 4.480 0.000 0.000 0.262 537 M C 2.150 177.992 176.300 -0.764 0.000 1.065 537 M CA 1.870 56.690 55.300 -0.799 0.000 1.114 537 M CB -0.629 31.388 32.600 -0.972 0.000 1.361 537 M HN -0.039 nan 8.290 nan 0.000 0.408 538 R N 0.056 120.164 120.500 -0.652 0.000 2.096 538 R HA -0.112 4.228 4.340 0.000 0.000 0.235 538 R C 2.462 178.607 176.300 -0.259 0.000 1.127 538 R CA 1.897 57.822 56.100 -0.293 0.000 0.968 538 R CB -0.463 29.764 30.300 -0.122 0.000 0.861 538 R HN 0.470 nan 8.270 nan 0.000 0.440 539 S N -0.801 114.693 115.700 -0.344 0.000 2.458 539 S HA -0.082 4.388 4.470 0.000 0.000 0.223 539 S C 1.776 176.117 174.600 -0.432 0.000 1.019 539 S CA 0.695 58.710 58.200 -0.307 0.000 0.937 539 S CB -0.123 62.936 63.200 -0.235 0.000 0.788 539 S HN 0.400 nan 8.310 nan 0.000 0.511 540 H N 0.773 119.331 119.070 -0.854 0.000 2.317 540 H HA 0.204 4.760 4.556 0.000 0.000 0.304 540 H C -0.241 174.572 175.328 -0.857 0.000 1.067 540 H CA 1.091 56.495 56.048 -1.074 0.000 1.352 540 H CB -0.162 28.357 29.762 -2.071 0.000 1.398 540 H HN 0.491 nan 8.280 nan 0.000 0.510 541 Y N 0.808 120.790 120.300 -0.529 0.000 2.724 541 Y HA 0.211 4.761 4.550 0.000 0.000 0.332 541 Y C -0.043 175.677 175.900 -0.300 0.000 1.276 541 Y CA -0.499 57.357 58.100 -0.406 0.000 1.597 541 Y CB 0.001 38.277 38.460 -0.307 0.000 1.584 541 Y HN 0.239 nan 8.280 nan 0.000 0.478 542 N N 2.995 121.577 118.700 -0.196 0.000 2.700 542 N HA 0.116 4.856 4.740 0.000 0.000 0.242 542 N C -1.673 173.776 175.510 -0.101 0.000 1.541 542 N CA -0.422 52.554 53.050 -0.123 0.000 0.764 542 N CB -0.017 38.388 38.487 -0.137 0.000 1.319 542 N HN 0.656 nan 8.380 nan 0.000 0.518 543 N N -1.461 117.204 118.700 -0.058 0.000 3.449 543 N HA 0.255 4.995 4.740 0.000 0.000 0.312 543 N C -0.104 175.460 175.510 0.089 0.000 1.582 543 N CA -0.656 52.386 53.050 -0.014 0.000 0.850 543 N CB 0.156 38.599 38.487 -0.074 0.000 1.822 543 N HN -0.161 nan 8.380 nan 0.000 0.577 544 D N -1.624 118.838 120.400 0.104 0.000 2.348 544 D HA 0.021 4.661 4.640 0.000 0.000 0.216 544 D C 0.077 176.534 176.300 0.260 0.000 0.970 544 D CA 0.967 55.086 54.000 0.199 0.000 0.889 544 D CB 0.030 40.922 40.800 0.153 0.000 0.912 544 D HN 0.421 nan 8.370 nan 0.000 0.524 545 D N -0.638 119.853 120.400 0.152 0.000 2.338 545 D HA 0.247 4.887 4.640 0.000 0.000 0.208 545 D C 0.450 176.614 176.300 -0.227 0.000 0.997 545 D CA 0.412 54.465 54.000 0.089 0.000 0.880 545 D CB 0.782 41.576 40.800 -0.010 0.000 0.980 545 D HN 0.166 nan 8.370 nan 0.000 0.509 546 A N -0.471 122.132 122.820 -0.362 0.000 2.586 546 A HA 0.560 4.880 4.320 0.000 0.000 0.291 546 A C -1.072 176.169 177.584 -0.572 0.000 1.062 546 A CA -0.464 51.080 52.037 -0.823 0.000 0.666 546 A CB 1.968 20.682 19.000 -0.477 0.000 1.281 546 A HN -0.098 nan 8.150 nan 0.000 0.421 547 T N -0.317 113.833 114.554 -0.673 0.000 2.883 547 T HA 0.642 4.992 4.350 0.000 0.000 0.301 547 T C -1.782 172.762 174.700 -0.259 0.000 1.158 547 T CA -0.273 61.650 62.100 -0.295 0.000 1.007 547 T CB 0.962 69.752 68.868 -0.130 0.000 1.186 547 T HN 1.273 nan 8.240 nan 0.000 0.499 548 F N 3.032 122.804 119.950 -0.297 0.000 2.421 548 F HA 0.790 5.317 4.527 0.000 0.000 0.337 548 F C -0.155 175.438 175.800 -0.346 0.000 1.105 548 F CA -0.836 56.972 58.000 -0.321 0.000 1.049 548 F CB 0.925 39.802 39.000 -0.205 0.000 1.139 548 F HN 0.467 nan 8.300 nan 0.000 0.479 549 R N 5.983 125.706 120.500 -1.294 0.000 2.538 549 R HA 0.370 4.710 4.340 0.000 0.000 0.292 549 R C -2.777 172.714 176.300 -1.348 0.000 1.008 549 R CA -1.930 53.458 56.100 -1.186 0.000 0.896 549 R CB 2.048 31.896 30.300 -0.753 0.000 1.187 549 R HN 0.403 nan 8.270 nan 0.000 0.440 550 P HA -0.077 nan 4.420 nan 0.000 0.269 550 P C -0.907 176.072 177.300 -0.534 0.000 1.215 550 P CA -0.139 62.520 63.100 -0.735 0.000 0.780 550 P CB 0.599 31.875 31.700 -0.706 0.000 0.898 551 E N 1.801 121.949 120.200 -0.088 0.000 2.105 551 E HA 0.028 4.378 4.350 0.000 0.000 0.285 551 E C 0.251 177.006 176.600 0.259 0.000 1.055 551 E CA -0.284 56.226 56.400 0.182 0.000 0.843 551 E CB 0.040 29.981 29.700 0.402 0.000 1.067 551 E HN 0.409 nan 8.360 nan 0.000 0.398 552 W N 2.556 123.990 121.300 0.224 0.000 2.290 552 W HA -0.328 4.332 4.660 0.000 0.000 0.318 552 W C 2.546 179.402 176.519 0.563 0.000 1.248 552 W CA 1.273 58.813 57.345 0.325 0.000 1.263 552 W CB -0.173 29.410 29.460 0.206 0.000 1.147 552 W HN 0.622 nan 8.180 nan 0.000 0.494 553 S N -0.624 115.464 115.700 0.647 0.000 2.481 553 S HA -0.027 4.444 4.470 0.000 0.000 0.231 553 S C 0.951 175.893 174.600 0.571 0.000 0.996 553 S CA 0.528 59.063 58.200 0.559 0.000 0.942 553 S CB -0.153 63.309 63.200 0.435 0.000 0.768 553 S HN -0.058 nan 8.310 nan 0.000 0.520 554 K N 1.030 121.712 120.400 0.471 0.000 2.583 554 K HA 0.579 4.899 4.320 0.000 0.000 0.263 554 K C 0.640 177.433 176.600 0.322 0.000 1.038 554 K CA -0.321 56.099 56.287 0.221 0.000 1.031 554 K CB -0.443 32.123 32.500 0.109 0.000 1.399 554 K HN 0.198 nan 8.250 nan 0.000 0.531 555 G N 0.422 109.283 108.800 0.102 0.000 2.444 555 G HA2 0.458 4.418 3.960 0.000 0.000 0.268 555 G HA3 0.458 4.418 3.960 0.000 0.000 0.268 555 G C -0.645 174.088 174.900 -0.278 0.000 1.203 555 G CA -0.534 44.366 45.100 -0.333 0.000 0.835 555 G HN 0.534 nan 8.290 nan 0.000 0.543 556 W N -1.951 118.818 121.300 -0.885 0.000 2.926 556 W HA 0.489 5.149 4.660 0.000 0.000 0.361 556 W C 0.274 176.452 176.519 -0.568 0.000 1.195 556 W CA -0.957 56.107 57.345 -0.468 0.000 1.177 556 W CB 0.876 30.335 29.460 -0.002 0.000 1.453 556 W HN 1.762 nan 8.180 nan 0.000 0.571 557 A N 0.084 123.023 122.820 0.198 0.000 2.791 557 A HA -0.221 4.099 4.320 0.000 0.000 0.292 557 A C -0.550 176.967 177.584 -0.112 0.000 1.487 557 A CA 0.939 53.069 52.037 0.154 0.000 0.760 557 A CB -2.624 16.572 19.000 0.326 0.000 1.031 557 A HN 0.574 nan 8.150 nan 0.000 0.503 558 F N -0.550 119.402 119.950 0.003 0.000 2.533 558 F HA 0.406 4.933 4.527 0.000 0.000 0.378 558 F C 1.522 177.319 175.800 -0.005 0.000 1.070 558 F CA 1.335 59.290 58.000 -0.075 0.000 1.172 558 F CB 0.984 39.987 39.000 0.005 0.000 1.085 558 F HN 0.388 nan 8.300 nan 0.000 0.552 559 G N 4.203 113.074 108.800 0.118 0.000 4.543 559 G HA2 0.161 4.121 3.960 0.000 0.000 0.286 559 G HA3 0.161 4.121 3.960 0.000 0.000 0.286 559 G C -1.525 173.434 174.900 0.099 0.000 1.112 559 G CA -0.347 44.819 45.100 0.110 0.000 0.870 559 G HN 0.476 nan 8.290 nan 0.000 0.540 560 P HA 0.077 nan 4.420 nan 0.000 0.230 560 P C -0.378 177.024 177.300 0.170 0.000 1.168 560 P CA 0.112 63.318 63.100 0.177 0.000 0.793 560 P CB 0.674 32.477 31.700 0.172 0.000 0.851 561 D N 2.841 123.269 120.400 0.046 0.000 2.443 561 D HA 0.091 4.731 4.640 0.000 0.000 0.239 561 D C -1.949 174.104 176.300 -0.411 0.000 1.136 561 D CA -1.352 52.524 54.000 -0.206 0.000 0.879 561 D CB -0.098 40.651 40.800 -0.086 0.000 1.195 561 D HN 0.226 nan 8.370 nan 0.000 0.443 562 P HA -0.071 nan 4.420 nan 0.000 0.269 562 P C -0.331 176.297 177.300 -1.120 0.000 1.209 562 P CA 0.060 62.302 63.100 -1.430 0.000 0.776 562 P CB 0.188 30.777 31.700 -1.851 0.000 0.876 563 Y N -0.934 118.969 120.300 -0.662 0.000 4.668 563 Y HA -0.262 4.288 4.550 0.000 0.000 0.234 563 Y C 1.365 177.165 175.900 -0.167 0.000 1.056 563 Y CA 0.881 58.673 58.100 -0.512 0.000 2.025 563 Y CB -3.030 34.873 38.460 -0.928 0.000 1.613 563 Y HN 0.517 nan 8.280 nan 0.000 0.653 564 T N -4.522 110.002 114.554 -0.051 0.000 2.975 564 T HA 0.065 4.415 4.350 0.000 0.000 0.257 564 T C 0.268 175.019 174.700 0.086 0.000 1.003 564 T CA 0.289 62.414 62.100 0.042 0.000 0.932 564 T CB 0.392 69.263 68.868 0.005 0.000 1.087 564 T HN 0.313 nan 8.240 nan 0.000 0.512 565 D N 2.013 122.468 120.400 0.092 0.000 2.344 565 D HA 0.123 4.764 4.640 0.000 0.000 0.253 565 D C 0.851 177.241 176.300 0.150 0.000 1.255 565 D CA -0.037 54.034 54.000 0.119 0.000 0.894 565 D CB 0.769 41.649 40.800 0.134 0.000 1.067 565 D HN 0.177 nan 8.370 nan 0.000 0.492 566 N N 3.593 122.371 118.700 0.131 0.000 2.104 566 N HA -0.227 4.513 4.740 0.000 0.000 0.190 566 N C 1.270 176.857 175.510 0.127 0.000 1.024 566 N CA 1.511 54.641 53.050 0.134 0.000 0.853 566 N CB 0.088 38.639 38.487 0.107 0.000 1.008 566 N HN 0.469 nan 8.380 nan 0.000 0.424 567 D N -0.495 119.969 120.400 0.108 0.000 2.117 567 D HA -0.074 4.566 4.640 0.000 0.000 0.197 567 D C 1.885 178.246 176.300 0.102 0.000 0.987 567 D CA 1.027 55.082 54.000 0.091 0.000 0.829 567 D CB -0.061 40.783 40.800 0.075 0.000 0.961 567 D HN 0.377 nan 8.370 nan 0.000 0.460 568 I N -0.447 120.204 120.570 0.135 0.000 2.202 568 I HA -0.198 3.972 4.170 0.000 0.000 0.242 568 I C 2.337 178.575 176.117 0.203 0.000 1.091 568 I CA 0.455 61.850 61.300 0.158 0.000 1.368 568 I CB -0.159 37.969 38.000 0.214 0.000 1.058 568 I HN -0.005 nan 8.210 nan 0.000 0.410 569 V N 0.870 120.950 119.914 0.276 0.000 2.295 569 V HA -0.270 3.850 4.120 0.000 0.000 0.246 569 V C 2.558 178.774 176.094 0.203 0.000 1.049 569 V CA 2.596 65.097 62.300 0.336 0.000 1.024 569 V CB -1.049 30.984 31.823 0.350 0.000 0.648 569 V HN 0.644 nan 8.190 nan 0.000 0.447 570 T N -3.351 111.293 114.554 0.150 0.000 3.065 570 T HA 0.026 4.376 4.350 0.000 0.000 0.252 570 T C 1.508 176.261 174.700 0.087 0.000 1.099 570 T CA 0.971 63.143 62.100 0.120 0.000 1.063 570 T CB 0.013 68.945 68.868 0.105 0.000 0.948 570 T HN 0.461 nan 8.240 nan 0.000 0.506 571 N N 0.305 119.038 118.700 0.056 0.000 2.663 571 N HA 0.084 4.824 4.740 0.000 0.000 0.250 571 N C 1.386 176.871 175.510 -0.042 0.000 1.043 571 N CA 0.113 53.173 53.050 0.017 0.000 0.929 571 N CB 0.409 38.914 38.487 0.030 0.000 1.665 571 N HN 0.005 nan 8.380 nan 0.000 0.484 572 K N 0.931 121.315 120.400 -0.028 0.000 2.155 572 K HA 0.058 4.378 4.320 0.000 0.000 0.203 572 K C 1.910 178.407 176.600 -0.172 0.000 1.052 572 K CA 0.677 56.922 56.287 -0.070 0.000 0.948 572 K CB -0.160 32.334 32.500 -0.010 0.000 0.728 572 K HN 0.301 nan 8.250 nan 0.000 0.448 573 M N 0.363 119.843 119.600 -0.199 0.000 2.132 573 M HA -0.094 4.386 4.480 0.000 0.000 0.263 573 M C 2.210 178.104 176.300 -0.677 0.000 1.065 573 M CA 1.346 56.420 55.300 -0.376 0.000 1.122 573 M CB -0.908 31.511 32.600 -0.302 0.000 1.365 573 M HN 0.139 nan 8.290 nan 0.000 0.411 574 R N 0.521 120.568 120.500 -0.756 0.000 2.073 574 R HA -0.098 4.242 4.340 0.000 0.000 0.234 574 R C 2.186 178.241 176.300 -0.408 0.000 1.134 574 R CA 1.787 57.316 56.100 -0.952 0.000 0.952 574 R CB -0.298 29.760 30.300 -0.403 0.000 0.850 574 R HN 0.270 nan 8.270 nan 0.000 0.433 575 A N 0.302 122.970 122.820 -0.253 0.000 1.892 575 A HA -0.181 4.139 4.320 0.000 0.000 0.218 575 A C 2.234 179.694 177.584 -0.206 0.000 1.188 575 A CA 2.218 54.160 52.037 -0.159 0.000 0.631 575 A CB -1.169 17.761 19.000 -0.117 0.000 0.822 575 A HN 0.526 nan 8.150 nan 0.000 0.447 576 T N -1.379 112.986 114.554 -0.314 0.000 2.720 576 T HA -0.171 4.179 4.350 0.000 0.000 0.268 576 T C 1.168 175.512 174.700 -0.594 0.000 1.037 576 T CA 1.787 63.598 62.100 -0.481 0.000 1.144 576 T CB -0.420 68.043 68.868 -0.675 0.000 0.864 576 T HN 0.593 nan 8.240 nan 0.000 0.444 577 Y N 0.881 121.055 120.300 -0.209 0.000 2.495 577 Y HA 0.371 4.921 4.550 0.000 0.000 0.293 577 Y C 1.605 177.556 175.900 0.084 0.000 1.186 577 Y CA -0.405 57.689 58.100 -0.010 0.000 1.266 577 Y CB -0.383 38.185 38.460 0.180 0.000 1.101 577 Y HN 0.343 nan 8.280 nan 0.000 0.517 578 I N -4.388 116.224 120.570 0.070 0.000 4.439 578 I HA 0.273 4.443 4.170 0.000 0.000 0.331 578 I C 0.387 176.516 176.117 0.020 0.000 1.345 578 I CA -0.216 61.136 61.300 0.088 0.000 1.193 578 I CB 0.362 38.412 38.000 0.084 0.000 1.221 578 I HN -0.143 nan 8.210 nan 0.000 0.429 579 E N 2.475 122.657 120.200 -0.031 0.000 2.290 579 E HA 0.317 4.667 4.350 0.000 0.000 0.277 579 E C 1.215 177.803 176.600 -0.021 0.000 1.035 579 E CA 0.706 57.084 56.400 -0.038 0.000 0.873 579 E CB 0.640 30.299 29.700 -0.068 0.000 1.029 579 E HN 0.525 nan 8.360 nan 0.000 0.419 580 G N 2.710 111.494 108.800 -0.025 0.000 2.175 580 G HA2 -0.288 3.672 3.960 0.000 0.000 0.265 580 G HA3 -0.288 3.672 3.960 0.000 0.000 0.265 580 G C 0.172 175.048 174.900 -0.040 0.000 0.979 580 G CA 0.597 45.668 45.100 -0.048 0.000 0.663 580 G HN 0.688 nan 8.290 nan 0.000 0.533 581 V N -2.797 117.113 119.914 -0.008 0.000 2.919 581 V HA 0.923 5.043 4.120 0.000 0.000 0.316 581 V C -1.677 174.422 176.094 0.008 0.000 1.077 581 V CA -2.327 59.978 62.300 0.009 0.000 0.977 581 V CB 1.827 33.681 31.823 0.051 0.000 1.039 581 V HN 0.160 nan 8.190 nan 0.000 0.441 582 P HA 0.163 nan 4.420 nan 0.000 0.272 582 P C 0.843 178.152 177.300 0.015 0.000 1.223 582 P CA 0.278 63.379 63.100 0.002 0.000 0.784 582 P CB 0.982 32.679 31.700 -0.004 0.000 0.923 583 T N -2.949 111.611 114.554 0.011 0.000 3.155 583 T HA -0.085 4.265 4.350 0.000 0.000 0.264 583 T C 1.221 175.927 174.700 0.011 0.000 1.160 583 T CA 1.346 63.456 62.100 0.018 0.000 1.075 583 T CB -1.237 67.639 68.868 0.013 0.000 0.921 583 T HN 0.557 nan 8.240 nan 0.000 0.533 584 T N -1.821 112.736 114.554 0.004 0.000 3.086 584 T HA 0.295 4.645 4.350 0.000 0.000 0.250 584 T C 0.409 175.104 174.700 -0.008 0.000 1.074 584 T CA -0.073 62.025 62.100 -0.005 0.000 0.988 584 T CB -0.005 68.859 68.868 -0.007 0.000 0.988 584 T HN 0.397 nan 8.240 nan 0.000 0.530 585 E N 1.726 121.928 120.200 0.004 0.000 2.934 585 E HA 0.297 4.647 4.350 0.000 0.000 0.343 585 E C -0.883 175.740 176.600 0.039 0.000 1.148 585 E CA -0.510 55.893 56.400 0.005 0.000 0.803 585 E CB 0.056 29.759 29.700 0.005 0.000 1.541 585 E HN 0.537 nan 8.360 nan 0.000 0.380 586 N N 0.050 118.781 118.700 0.051 0.000 3.506 586 N HA 0.178 4.918 4.740 0.000 0.000 0.331 586 N C 0.574 176.186 175.510 0.169 0.000 1.631 586 N CA -0.786 52.346 53.050 0.136 0.000 0.786 586 N CB -0.321 38.255 38.487 0.148 0.000 2.023 586 N HN 0.201 nan 8.380 nan 0.000 0.621 587 W N 0.600 121.942 121.300 0.071 0.000 2.318 587 W HA -0.185 4.475 4.660 0.000 0.000 0.313 587 W C 0.138 176.658 176.519 0.002 0.000 1.221 587 W CA 2.360 59.744 57.345 0.064 0.000 1.266 587 W CB -0.190 29.355 29.460 0.141 0.000 1.150 587 W HN 0.472 nan 8.180 nan 0.000 0.496 588 D N -0.390 120.105 120.400 0.159 0.000 2.117 588 D HA -0.173 4.467 4.640 0.000 0.000 0.198 588 D C 2.242 178.483 176.300 -0.099 0.000 0.982 588 D CA 2.692 56.703 54.000 0.019 0.000 0.828 588 D CB -0.826 40.025 40.800 0.085 0.000 0.967 588 D HN 0.261 nan 8.370 nan 0.000 0.464 589 T N -1.075 113.429 114.554 -0.083 0.000 2.951 589 T HA 0.064 4.414 4.350 0.000 0.000 0.268 589 T C 2.066 176.609 174.700 -0.262 0.000 1.073 589 T CA 1.167 63.189 62.100 -0.129 0.000 1.134 589 T CB -0.153 68.666 68.868 -0.082 0.000 0.884 589 T HN 0.080 nan 8.240 nan 0.000 0.479 590 A N 2.182 124.790 122.820 -0.353 0.000 1.873 590 A HA 0.033 4.353 4.320 0.000 0.000 0.215 590 A C 2.614 179.624 177.584 -0.957 0.000 1.186 590 A CA 1.124 52.759 52.037 -0.671 0.000 0.616 590 A CB -0.586 18.049 19.000 -0.608 0.000 0.823 590 A HN 0.498 nan 8.150 nan 0.000 0.442 591 R N -0.492 119.624 120.500 -0.640 0.000 2.096 591 R HA -0.067 4.273 4.340 0.000 0.000 0.235 591 R C 2.432 178.579 176.300 -0.255 0.000 1.127 591 R CA 1.104 56.968 56.100 -0.394 0.000 0.968 591 R CB -0.449 29.658 30.300 -0.322 0.000 0.861 591 R HN 0.514 nan 8.270 nan 0.000 0.440 592 A N 1.212 123.889 122.820 -0.238 0.000 1.933 592 A HA -0.206 4.114 4.320 0.000 0.000 0.218 592 A C 2.130 179.624 177.584 -0.150 0.000 1.175 592 A CA 1.508 53.457 52.037 -0.148 0.000 0.628 592 A CB -0.337 18.593 19.000 -0.116 0.000 0.814 592 A HN 0.104 nan 8.150 nan 0.000 0.444 593 R N -0.878 119.468 120.500 -0.256 0.000 2.075 593 R HA -0.072 4.269 4.340 0.000 0.000 0.232 593 R C 1.801 178.040 176.300 -0.103 0.000 1.126 593 R CA 1.823 57.795 56.100 -0.213 0.000 0.963 593 R CB -1.014 29.089 30.300 -0.328 0.000 0.858 593 R HN 0.679 nan 8.270 nan 0.000 0.435 594 Y N 0.265 120.499 120.300 -0.109 0.000 2.165 594 Y HA -0.197 4.353 4.550 0.000 0.000 0.286 594 Y C 1.897 177.769 175.900 -0.045 0.000 1.155 594 Y CA 0.846 58.893 58.100 -0.088 0.000 1.164 594 Y CB -0.166 38.208 38.460 -0.144 0.000 0.978 594 Y HN 0.186 nan 8.280 nan 0.000 0.513 595 N N -0.023 118.723 118.700 0.078 0.000 2.331 595 N HA -0.167 4.574 4.740 0.000 0.000 0.180 595 N C 1.823 177.321 175.510 -0.019 0.000 1.019 595 N CA 0.777 53.831 53.050 0.006 0.000 0.881 595 N CB -0.349 38.116 38.487 -0.036 0.000 0.972 595 N HN 0.444 nan 8.380 nan 0.000 0.435 596 Q N 1.155 120.961 119.800 0.011 0.000 2.083 596 Q HA 0.015 4.355 4.340 0.000 0.000 0.198 596 Q C 1.876 177.945 176.000 0.115 0.000 0.969 596 Q CA 0.816 56.642 55.803 0.038 0.000 0.838 596 Q CB -0.072 28.688 28.738 0.037 0.000 0.900 596 Q HN 0.377 nan 8.270 nan 0.000 0.436 597 I N 0.568 121.230 120.570 0.152 0.000 2.761 597 I HA -0.122 4.048 4.170 0.000 0.000 0.261 597 I C 0.227 176.543 176.117 0.331 0.000 1.198 597 I CA 0.847 62.298 61.300 0.252 0.000 1.482 597 I CB 0.214 38.361 38.000 0.246 0.000 1.100 597 I HN 0.103 nan 8.210 nan 0.000 0.445 598 D N -0.102 120.425 120.400 0.212 0.000 2.823 598 D HA 0.102 4.743 4.640 0.000 0.000 0.255 598 D C -1.810 174.444 176.300 -0.077 0.000 1.257 598 D CA -1.390 52.744 54.000 0.223 0.000 0.803 598 D CB 0.796 41.845 40.800 0.416 0.000 1.384 598 D HN -0.090 nan 8.370 nan 0.000 0.541 599 P HA -0.124 nan 4.420 nan 0.000 0.223 599 P C 0.721 177.673 177.300 -0.580 0.000 1.151 599 P CA 0.841 63.618 63.100 -0.538 0.000 0.787 599 P CB 0.171 31.404 31.700 -0.779 0.000 0.788 600 H N -0.052 118.800 119.070 -0.364 0.000 2.539 600 H HA 0.231 4.787 4.556 0.000 0.000 0.267 600 H C 0.507 175.750 175.328 -0.143 0.000 0.982 600 H CA 0.128 56.007 56.048 -0.281 0.000 1.146 600 H CB -0.218 29.268 29.762 -0.460 0.000 1.382 600 H HN 0.139 nan 8.280 nan 0.000 0.577 601 R N 0.068 120.542 120.500 -0.043 0.000 3.333 601 R HA -0.140 4.200 4.340 0.000 0.000 0.256 601 R C 0.907 177.173 176.300 -0.056 0.000 1.010 601 R CA 0.334 56.422 56.100 -0.021 0.000 0.680 601 R CB -2.208 28.081 30.300 -0.018 0.000 1.102 601 R HN 0.109 nan 8.270 nan 0.000 0.440 602 V N -0.612 119.200 119.914 -0.171 0.000 2.427 602 V HA -0.166 3.954 4.120 0.000 0.000 0.248 602 V C 1.233 177.092 176.094 -0.393 0.000 1.051 602 V CA 1.849 63.921 62.300 -0.380 0.000 1.048 602 V CB -0.234 31.114 31.823 -0.792 0.000 0.666 602 V HN 0.322 nan 8.190 nan 0.000 0.456 603 F N 1.451 121.422 119.950 0.036 0.000 2.640 603 F HA 0.399 4.926 4.527 0.000 0.000 0.331 603 F C 0.683 176.479 175.800 -0.006 0.000 1.200 603 F CA -0.165 57.861 58.000 0.044 0.000 1.278 603 F CB -0.195 38.843 39.000 0.063 0.000 1.571 603 F HN 0.165 nan 8.300 nan 0.000 0.576 604 T N -2.096 112.519 114.554 0.100 0.000 2.787 604 T HA 0.688 5.038 4.350 0.000 0.000 0.297 604 T C -0.974 173.751 174.700 0.040 0.000 1.221 604 T CA -0.948 61.181 62.100 0.047 0.000 1.006 604 T CB 2.616 71.493 68.868 0.016 0.000 1.328 604 T HN 0.220 nan 8.240 nan 0.000 0.509 605 N N -1.464 117.257 118.700 0.035 0.000 2.972 605 N HA 0.508 5.248 4.740 0.000 0.000 0.262 605 N C 1.335 176.877 175.510 0.055 0.000 1.478 605 N CA -0.364 52.711 53.050 0.041 0.000 0.841 605 N CB 0.420 38.934 38.487 0.043 0.000 1.512 605 N HN 0.879 nan 8.380 nan 0.000 0.548 606 G N -0.253 108.587 108.800 0.066 0.000 2.469 606 G HA2 -0.269 3.691 3.960 0.000 0.000 0.220 606 G HA3 -0.269 3.691 3.960 0.000 0.000 0.220 606 G C 0.865 175.843 174.900 0.130 0.000 1.136 606 G CA 0.893 46.042 45.100 0.081 0.000 0.759 606 G HN 0.473 nan 8.290 nan 0.000 0.562 607 F N 1.091 121.044 119.950 0.004 0.000 2.146 607 F HA 0.128 4.655 4.527 0.000 0.000 0.298 607 F C 2.716 178.544 175.800 0.047 0.000 1.096 607 F CA 1.265 59.276 58.000 0.017 0.000 1.275 607 F CB -0.181 38.801 39.000 -0.031 0.000 1.008 607 F HN 0.072 nan 8.300 nan 0.000 0.480 608 M N -0.113 119.452 119.600 -0.057 0.000 2.279 608 M HA -0.182 4.298 4.480 0.000 0.000 0.264 608 M C 1.364 177.595 176.300 -0.115 0.000 1.062 608 M CA 1.366 56.577 55.300 -0.148 0.000 1.099 608 M CB -0.482 32.084 32.600 -0.057 0.000 1.394 608 M HN 0.002 nan 8.290 nan 0.000 0.426 609 D N 0.562 120.930 120.400 -0.053 0.000 2.224 609 D HA -0.080 4.560 4.640 0.000 0.000 0.205 609 D C 1.818 178.105 176.300 -0.022 0.000 0.965 609 D CA 1.069 55.054 54.000 -0.024 0.000 0.852 609 D CB -0.029 40.774 40.800 0.004 0.000 0.947 609 D HN 0.387 nan 8.370 nan 0.000 0.494 610 K N -0.192 120.176 120.400 -0.054 0.000 2.128 610 K HA 0.025 4.345 4.320 0.000 0.000 0.202 610 K C 1.953 178.540 176.600 -0.022 0.000 1.050 610 K CA 0.132 56.405 56.287 -0.022 0.000 0.966 610 K CB 0.139 32.640 32.500 0.002 0.000 0.759 610 K HN 0.015 nan 8.250 nan 0.000 0.454 611 L N 0.734 121.868 121.223 -0.149 0.000 2.068 611 L HA 0.027 4.367 4.340 0.000 0.000 0.204 611 L C 0.715 177.701 176.870 0.192 0.000 1.076 611 L CA 1.569 56.417 54.840 0.012 0.000 0.753 611 L CB 0.201 42.159 42.059 -0.167 0.000 0.910 611 L HN 0.009 nan 8.230 nan 0.000 0.439 612 L N 2.077 123.312 121.223 0.020 0.000 2.679 612 L HA 0.364 4.704 4.340 0.000 0.000 0.238 612 L C -2.137 174.720 176.870 -0.021 0.000 1.330 612 L CA -1.659 53.163 54.840 -0.030 0.000 0.935 612 L CB 0.247 42.218 42.059 -0.147 0.000 1.243 612 L HN 0.106 nan 8.230 nan 0.000 0.484 613 P HA 0.000 nan 4.420 nan 0.000 0.216 613 P CA 0.000 63.110 63.100 0.016 0.000 0.800 613 P CB 0.000 31.727 31.700 0.045 0.000 0.726