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 1nsc_1_B DATA FIRST_RESID 76 DATA SEQUENCE EPEWTYPRLS cQGSTFQKAL LISPHRFGEA RGNSAPLIIR EPFIAcGPKE DATA SEQUENCE cKHFALTHYA AQPGGYYNGT REDRNKLRHL ISVKLGKIPT VENSIFHMAA DATA SEQUENCE WSGSAcHDGR EWTYIGVDGP DSNALIKIKY GEAYTDTYHS YANNILRTQE DATA SEQUENCE SAcNcIGGDc YLMITDGSAS GISKCRFLKI REGRIIKEIF PTGRVEHTEE DATA SEQUENCE cTcGFASNKT IEcAcRDNSY TAKRPFVKLN VETDTAEIRL McTETYLDTP DATA SEQUENCE RPDDGSITGP cESNGDKGRG GIKGGFVHQR MASKIGRWYS RTMSKTERMG DATA SEQUENCE MELYVRYDGD PWTDSDALAH SGVMVSMKEP GWYSFGFEIK DKKcDVPcIG DATA SEQUENCE IEMVHDGGKK TWHSAATAIY cLMGSGQLLW DTVTGVDMAL 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 76 E HA 0.000 nan 4.350 nan 0.000 0.291 76 E C 0.000 176.516 176.600 -0.140 0.000 1.382 76 E CA 0.000 56.325 56.400 -0.126 0.000 0.976 76 E CB 0.000 29.590 29.700 -0.183 0.000 0.812 77 P HA 0.059 nan 4.420 nan 0.000 0.268 77 P C -1.172 175.987 177.300 -0.235 0.000 1.208 77 P CA -0.252 62.764 63.100 -0.141 0.000 0.777 77 P CB 0.619 32.254 31.700 -0.109 0.000 0.875 78 E N -0.972 119.137 120.200 -0.152 0.000 2.254 78 E HA 0.057 nan 4.350 nan 0.000 0.261 78 E C -0.932 175.617 176.600 -0.085 0.000 1.051 78 E CA -1.472 54.823 56.400 -0.175 0.000 0.902 78 E CB 1.585 31.272 29.700 -0.021 0.000 1.168 78 E HN 0.016 8.329 8.360 -0.078 0.000 0.423 79 W N -1.291 120.034 121.300 0.041 0.000 2.158 79 W HA -0.075 nan 4.660 nan 0.000 0.339 79 W C 0.584 177.070 176.519 -0.054 0.000 1.294 79 W CA -0.523 56.792 57.345 -0.049 0.000 1.231 79 W CB 0.734 30.121 29.460 -0.121 0.000 1.143 79 W HN -0.111 8.126 8.180 0.094 0.000 0.571 80 T N 3.759 118.401 114.554 0.146 0.000 2.918 80 T HA 0.132 nan 4.350 nan 0.000 0.302 80 T C -1.360 173.163 174.700 -0.296 0.000 1.045 80 T CA 1.330 63.447 62.100 0.029 0.000 1.114 80 T CB 0.735 69.633 68.868 0.049 0.000 0.965 80 T HN 0.444 8.698 8.240 0.215 0.115 0.540 81 Y N 0.666 120.938 120.300 -0.047 0.000 2.524 81 Y HA 0.353 nan 4.550 nan 0.000 0.347 81 Y C -2.091 173.676 175.900 -0.221 0.000 1.005 81 Y CA -3.608 54.384 58.100 -0.179 0.000 1.025 81 Y CB 2.429 40.808 38.460 -0.134 0.000 1.275 81 Y HN 0.015 8.406 8.280 0.186 0.000 0.460 82 P HA 0.140 nan 4.420 nan 0.000 0.268 82 P C -1.573 175.697 177.300 -0.051 0.000 1.204 82 P CA -0.137 62.861 63.100 -0.170 0.000 0.768 82 P CB 0.442 31.954 31.700 -0.313 0.000 0.842 83 R N 1.520 122.016 120.500 -0.007 0.000 2.893 83 R HA 0.370 nan 4.340 nan 0.000 0.245 83 R C -0.646 175.659 176.300 0.008 0.000 1.192 83 R CA -2.501 53.600 56.100 0.001 0.000 1.077 83 R CB 2.834 33.141 30.300 0.012 0.000 1.253 83 R HN 0.318 8.931 8.270 0.007 -0.339 0.505 84 L N 0.288 121.517 121.223 0.009 0.000 2.483 84 L HA 0.062 nan 4.340 nan 0.000 0.276 84 L C 0.491 177.376 176.870 0.026 0.000 1.213 84 L CA 0.542 55.395 54.840 0.022 0.000 0.843 84 L CB 0.118 42.189 42.059 0.019 0.000 1.107 84 L HN 0.328 8.560 8.230 0.002 0.000 0.487 85 S N 2.114 117.839 115.700 0.041 0.000 2.593 85 S HA 0.054 nan 4.470 nan 0.000 0.269 85 S C -0.000 174.610 174.600 0.018 0.000 1.334 85 S CA 0.796 59.015 58.200 0.032 0.000 1.015 85 S CB 0.526 63.762 63.200 0.059 0.000 0.912 85 S HN 0.013 8.358 8.310 0.057 0.000 0.541 86 c N 2.439 121.034 118.600 -0.008 0.000 2.689 86 c HA -0.060 nan 4.570 nan 0.000 0.409 86 c C -0.787 173.301 174.090 -0.004 0.000 1.293 86 c CA 0.672 56.992 56.329 -0.015 0.000 2.136 86 c CB -0.133 42.353 42.510 -0.040 0.000 2.719 86 c HN 0.362 8.479 8.230 -0.025 0.098 0.644 87 Q N 3.239 123.039 119.800 0.001 0.000 2.364 87 Q HA -0.094 nan 4.340 nan 0.000 0.267 87 Q C -0.253 175.752 176.000 0.009 0.000 0.999 87 Q CA 1.140 56.953 55.803 0.016 0.000 0.886 87 Q CB 0.915 29.660 28.738 0.011 0.000 1.243 87 Q HN 0.397 8.664 8.270 -0.004 0.000 0.415 88 G N 0.536 109.360 108.800 0.040 0.000 2.328 88 G HA2 0.037 nan 3.960 nan 0.000 0.299 88 G HA3 0.037 nan 3.960 nan 0.000 0.299 88 G C -2.010 172.966 174.900 0.126 0.000 1.435 88 G CA -0.017 45.108 45.100 0.041 0.000 0.865 88 G HN -0.159 8.172 8.290 0.069 0.000 0.601 89 S N -3.427 112.369 115.700 0.159 0.000 2.820 89 S HA 0.123 nan 4.470 nan 0.000 0.265 89 S C -0.658 174.187 174.600 0.407 0.000 1.043 89 S CA -0.480 57.903 58.200 0.303 0.000 1.245 89 S CB 2.157 65.480 63.200 0.205 0.000 1.187 89 S HN 0.404 8.780 8.310 0.111 0.000 0.673 90 T N 1.410 116.124 114.554 0.266 0.000 2.883 90 T HA 0.299 nan 4.350 nan 0.000 0.301 90 T C -2.033 172.760 174.700 0.155 0.000 1.158 90 T CA -0.677 61.607 62.100 0.306 0.000 1.007 90 T CB 2.004 71.008 68.868 0.227 0.000 1.186 90 T HN -0.801 7.523 8.240 0.141 0.000 0.499 91 F N 1.499 121.356 119.950 -0.155 0.000 2.378 91 F HA 0.737 nan 4.527 nan 0.000 0.325 91 F C -0.676 175.143 175.800 0.032 0.000 1.097 91 F CA -1.213 56.691 58.000 -0.160 0.000 1.079 91 F CB 1.626 40.502 39.000 -0.206 0.000 1.240 91 F HN 0.404 8.920 8.300 0.361 0.000 0.519 92 Q N -2.348 117.569 119.800 0.195 0.000 2.462 92 Q HA 0.312 nan 4.340 nan 0.000 0.285 92 Q C -1.850 174.134 176.000 -0.027 0.000 1.035 92 Q CA -2.153 53.746 55.803 0.161 0.000 0.799 92 Q CB 4.726 33.485 28.738 0.035 0.000 1.452 92 Q HN 0.488 8.795 8.270 0.062 0.000 0.404 93 K N 1.944 122.217 120.400 -0.212 0.000 2.436 93 K HA -0.173 nan 4.320 nan 0.000 0.282 93 K C -0.872 175.510 176.600 -0.363 0.000 1.044 93 K CA 1.047 56.883 56.287 -0.752 0.000 1.028 93 K CB 0.260 32.563 32.500 -0.327 0.000 0.919 93 K HN 0.472 8.750 8.250 0.047 0.000 0.474 94 A N 7.803 130.389 122.820 -0.390 0.000 1.969 94 A HA 0.224 nan 4.320 nan 0.000 0.205 94 A C -1.136 176.387 177.584 -0.103 0.000 1.364 94 A CA 0.496 52.428 52.037 -0.175 0.000 0.756 94 A CB 1.414 20.342 19.000 -0.119 0.000 0.988 94 A HN 0.689 8.480 8.150 -0.599 0.000 0.490 95 L N -1.354 119.810 121.223 -0.097 0.000 2.592 95 L HA 0.262 nan 4.340 nan 0.000 0.258 95 L C -2.718 174.149 176.870 -0.005 0.000 0.926 95 L CA 0.838 55.663 54.840 -0.025 0.000 0.885 95 L CB 4.029 46.092 42.059 0.006 0.000 1.380 95 L HN -0.654 7.484 8.230 -0.153 0.000 0.415 96 L N 4.010 125.246 121.223 0.021 0.000 2.333 96 L HA 0.703 nan 4.340 nan 0.000 0.280 96 L C -1.268 175.643 176.870 0.069 0.000 1.004 96 L CA -0.693 54.177 54.840 0.049 0.000 0.820 96 L CB 1.858 43.945 42.059 0.046 0.000 1.247 96 L HN 0.106 8.348 8.230 0.020 0.000 0.416 97 I N 7.926 128.552 120.570 0.093 0.000 2.330 97 I HA 0.220 nan 4.170 nan 0.000 0.286 97 I C -1.516 174.681 176.117 0.134 0.000 1.025 97 I CA -1.324 60.054 61.300 0.130 0.000 1.197 97 I CB -0.693 37.429 38.000 0.203 0.000 1.358 97 I HN 0.818 9.084 8.210 0.094 0.000 0.467 98 S N 7.513 123.275 115.700 0.103 0.000 2.269 98 S HA 0.481 nan 4.470 nan 0.000 0.194 98 S C -1.174 173.434 174.600 0.013 0.000 1.547 98 S CA -4.621 53.630 58.200 0.086 0.000 1.186 98 S CB 0.451 63.677 63.200 0.043 0.000 1.069 98 S HN 0.513 8.886 8.310 0.104 0.000 0.473 99 P HA -0.111 nan 4.420 nan 0.000 0.219 99 P C 0.749 177.872 177.300 -0.295 0.000 1.150 99 P CA 1.687 64.707 63.100 -0.133 0.000 0.814 99 P CB 0.191 31.701 31.700 -0.316 0.000 0.787 100 H N -4.476 114.558 119.070 -0.060 0.000 2.547 100 H HA 0.047 nan 4.556 nan 0.000 0.266 100 H C 1.700 176.867 175.328 -0.269 0.000 0.988 100 H CA 1.671 57.596 56.048 -0.205 0.000 1.147 100 H CB -0.821 28.774 29.762 -0.279 0.000 1.365 100 H HN 0.186 8.385 8.280 -0.067 0.041 0.589 101 R N -0.522 119.764 120.500 -0.358 0.000 2.285 101 R HA -0.202 nan 4.340 nan 0.000 0.213 101 R C 1.069 176.928 176.300 -0.735 0.000 1.068 101 R CA 1.876 57.621 56.100 -0.592 0.000 1.004 101 R CB -0.381 29.402 30.300 -0.861 0.000 0.873 101 R HN -0.381 7.535 8.270 -0.340 0.150 0.467 102 F N -4.272 115.634 119.950 -0.073 0.000 2.698 102 F HA 0.239 nan 4.527 nan 0.000 0.304 102 F C -0.758 174.986 175.800 -0.093 0.000 1.108 102 F CA -1.089 56.866 58.000 -0.076 0.000 1.263 102 F CB 0.459 39.408 39.000 -0.085 0.000 1.013 102 F HN -0.622 7.324 8.300 -0.324 0.160 0.532 103 G N -2.120 106.668 108.800 -0.020 0.000 3.434 103 G HA2 -0.005 nan 3.960 nan 0.000 0.258 103 G HA3 -0.005 nan 3.960 nan 0.000 0.258 103 G C -1.021 173.840 174.900 -0.065 0.000 1.128 103 G CA -0.638 44.421 45.100 -0.069 0.000 0.792 103 G HN -0.800 7.371 8.290 -0.079 0.071 0.539 104 E N 0.931 121.120 120.200 -0.017 0.000 2.413 104 E HA -0.168 nan 4.350 nan 0.000 0.263 104 E C 0.178 176.787 176.600 0.015 0.000 1.015 104 E CA 0.122 56.525 56.400 0.005 0.000 0.916 104 E CB 0.374 30.084 29.700 0.016 0.000 0.947 104 E HN -0.738 7.551 8.360 0.001 0.072 0.440 105 A N 6.219 129.057 122.820 0.030 0.000 2.024 105 A HA -0.219 nan 4.320 nan 0.000 0.220 105 A C 0.229 177.827 177.584 0.023 0.000 1.164 105 A CA 2.394 54.450 52.037 0.033 0.000 0.643 105 A CB -0.746 18.282 19.000 0.046 0.000 0.806 105 A HN 0.361 8.424 8.150 0.041 0.112 0.451 106 R N -3.461 117.053 120.500 0.023 0.000 2.334 106 R HA 0.080 nan 4.340 nan 0.000 0.216 106 R C 0.160 176.472 176.300 0.020 0.000 0.905 106 R CA -0.333 55.778 56.100 0.019 0.000 1.064 106 R CB 0.043 30.354 30.300 0.019 0.000 1.046 106 R HN 0.015 8.278 8.270 0.025 0.023 0.508 107 G N 1.002 109.817 108.800 0.024 0.000 2.537 107 G HA2 0.034 nan 3.960 nan 0.000 0.297 107 G HA3 0.034 nan 3.960 nan 0.000 0.297 107 G C -1.456 173.455 174.900 0.019 0.000 1.310 107 G CA -0.782 44.337 45.100 0.032 0.000 1.027 107 G HN -0.374 7.747 8.290 0.023 0.184 0.505 108 N N -1.833 116.876 118.700 0.015 0.000 2.291 108 N HA 0.125 nan 4.740 nan 0.000 0.244 108 N C -1.182 174.320 175.510 -0.013 0.000 1.216 108 N CA 0.130 53.179 53.050 -0.002 0.000 0.879 108 N CB 1.144 39.624 38.487 -0.011 0.000 1.167 108 N HN 0.153 8.548 8.380 0.025 0.000 0.515 109 S N 0.993 116.692 115.700 -0.001 0.000 2.718 109 S HA 0.178 nan 4.470 nan 0.000 0.300 109 S C -1.580 173.010 174.600 -0.017 0.000 1.117 109 S CA -0.649 57.539 58.200 -0.020 0.000 1.002 109 S CB 1.628 64.823 63.200 -0.007 0.000 1.092 109 S HN -0.547 7.773 8.310 0.018 0.000 0.542 110 A N 1.666 124.466 122.820 -0.033 0.000 3.258 110 A HA 0.395 nan 4.320 nan 0.000 0.318 110 A C -2.721 174.834 177.584 -0.048 0.000 0.990 110 A CA -3.228 48.794 52.037 -0.025 0.000 0.885 110 A CB 0.151 19.145 19.000 -0.010 0.000 1.090 110 A HN 0.148 8.268 8.150 -0.050 0.000 0.479 111 P HA 0.093 nan 4.420 nan 0.000 0.268 111 P C -1.265 175.979 177.300 -0.094 0.000 1.204 111 P CA -0.175 62.825 63.100 -0.165 0.000 0.768 111 P CB 0.355 31.832 31.700 -0.372 0.000 0.842 112 L N 2.023 123.198 121.223 -0.080 0.000 2.397 112 L HA 0.165 nan 4.340 nan 0.000 0.271 112 L C 0.020 176.951 176.870 0.103 0.000 1.148 112 L CA -0.386 54.454 54.840 0.001 0.000 0.825 112 L CB 0.692 42.706 42.059 -0.074 0.000 1.117 112 L HN -0.237 7.917 8.230 -0.127 0.000 0.456 113 I N 1.894 122.573 120.570 0.182 0.000 2.379 113 I HA 0.019 nan 4.170 nan 0.000 0.290 113 I C -1.037 175.218 176.117 0.230 0.000 1.063 113 I CA 0.731 62.180 61.300 0.249 0.000 1.351 113 I CB -0.629 37.529 38.000 0.263 0.000 1.410 113 I HN 0.347 8.660 8.210 0.173 0.000 0.505 114 I N 2.489 123.184 120.570 0.208 0.000 3.145 114 I HA 0.993 nan 4.170 nan 0.000 0.313 114 I C -1.695 174.502 176.117 0.133 0.000 1.122 114 I CA -2.392 58.991 61.300 0.138 0.000 0.987 114 I CB 4.173 42.197 38.000 0.041 0.000 1.236 114 I HN 0.500 8.858 8.210 0.246 0.000 0.453 115 R N -1.135 119.425 120.500 0.099 0.000 2.766 115 R HA 0.291 nan 4.340 nan 0.000 0.270 115 R C -1.546 174.800 176.300 0.076 0.000 1.035 115 R CA -0.832 55.300 56.100 0.054 0.000 0.911 115 R CB 4.448 34.787 30.300 0.066 0.000 1.243 115 R HN -0.236 8.086 8.270 0.086 0.000 0.460 116 E N -2.651 117.591 120.200 0.070 0.000 2.252 116 E HA -0.299 nan 4.350 nan 0.000 0.218 116 E C -2.347 174.393 176.600 0.234 0.000 1.253 116 E CA 0.714 57.225 56.400 0.186 0.000 0.705 116 E CB -2.039 27.794 29.700 0.222 0.000 1.172 116 E HN -0.114 8.546 8.360 -0.012 -0.308 0.369 117 P HA 0.034 nan 4.420 nan 0.000 0.271 117 P C -1.670 175.600 177.300 -0.050 0.000 1.218 117 P CA 0.005 63.185 63.100 0.132 0.000 0.780 117 P CB 0.788 32.651 31.700 0.272 0.000 0.901 118 F N -4.510 115.249 119.950 -0.318 0.000 2.713 118 F HA 0.433 nan 4.527 nan 0.000 0.311 118 F C -2.519 173.084 175.800 -0.328 0.000 1.141 118 F CA -2.214 55.200 58.000 -0.977 0.000 0.939 118 F CB 2.301 40.892 39.000 -0.682 0.000 1.325 118 F HN 0.179 8.158 8.300 -0.360 0.105 0.453 119 I N -0.385 120.039 120.570 -0.243 0.000 2.569 119 I HA 0.680 nan 4.170 nan 0.000 0.296 119 I C -1.506 174.695 176.117 0.141 0.000 1.028 119 I CA -1.400 59.781 61.300 -0.198 0.000 1.082 119 I CB 3.629 41.105 38.000 -0.873 0.000 1.264 119 I HN 0.230 8.269 8.210 -0.286 0.000 0.429 120 A N 5.017 128.056 122.820 0.365 0.000 2.449 120 A HA 0.608 nan 4.320 nan 0.000 0.302 120 A C -2.611 175.312 177.584 0.565 0.000 1.048 120 A CA -1.430 50.927 52.037 0.533 0.000 0.708 120 A CB 3.528 22.954 19.000 0.710 0.000 1.274 120 A HN 0.171 8.532 8.150 0.351 0.000 0.410 121 c N 0.534 119.390 118.600 0.426 0.000 2.563 121 c HA 0.933 nan 4.570 nan 0.000 0.314 121 c C 0.339 174.465 174.090 0.060 0.000 1.199 121 c CA -1.715 54.800 56.329 0.309 0.000 1.564 121 c CB 2.986 45.651 42.510 0.258 0.000 2.173 121 c HN 0.646 9.104 8.230 0.379 0.000 0.485 122 G N 0.644 109.356 108.800 -0.146 0.000 2.671 122 G HA2 0.480 nan 3.960 nan 0.000 0.275 122 G HA3 0.480 nan 3.960 nan 0.000 0.275 122 G C -2.154 172.605 174.900 -0.235 0.000 1.368 122 G CA -1.271 43.507 45.100 -0.537 0.000 1.044 122 G HN 0.675 8.986 8.290 0.035 0.000 0.543 123 P HA -0.104 nan 4.420 nan 0.000 0.216 123 P C -0.204 177.066 177.300 -0.049 0.000 1.150 123 P CA 1.985 65.038 63.100 -0.079 0.000 0.837 123 P CB 0.334 32.003 31.700 -0.053 0.000 0.786 124 K N -5.355 115.007 120.400 -0.063 0.000 2.399 124 K HA 0.146 nan 4.320 nan 0.000 0.196 124 K C -0.158 176.449 176.600 0.012 0.000 1.103 124 K CA -0.066 56.212 56.287 -0.016 0.000 0.986 124 K CB 0.991 33.484 32.500 -0.010 0.000 0.952 124 K HN -0.123 8.023 8.250 -0.126 0.028 0.541 125 E N -1.942 118.276 120.200 0.030 0.000 2.430 125 E HA 0.149 nan 4.350 nan 0.000 0.279 125 E C -2.420 174.271 176.600 0.151 0.000 1.003 125 E CA -0.982 55.466 56.400 0.080 0.000 0.801 125 E CB 2.490 32.242 29.700 0.087 0.000 1.313 125 E HN -0.520 7.837 8.360 -0.005 0.000 0.459 126 c N 0.053 118.736 118.600 0.137 0.000 2.493 126 c HA 0.765 nan 4.570 nan 0.000 0.326 126 c C -0.713 173.410 174.090 0.054 0.000 1.200 126 c CA -1.293 55.137 56.329 0.168 0.000 1.739 126 c CB 2.167 44.751 42.510 0.123 0.000 2.300 126 c HN 0.631 8.913 8.230 0.087 0.000 0.500 127 K N 1.521 121.910 120.400 -0.019 0.000 2.259 127 K HA 0.650 nan 4.320 nan 0.000 0.252 127 K C -1.983 174.367 176.600 -0.417 0.000 0.936 127 K CA -1.372 54.671 56.287 -0.408 0.000 0.810 127 K CB 3.296 35.204 32.500 -0.988 0.000 1.143 127 K HN 0.751 9.110 8.250 0.181 0.000 0.427 128 H N 3.752 122.485 119.070 -0.561 0.000 2.597 128 H HA 0.517 nan 4.556 nan 0.000 0.303 128 H C -1.183 173.765 175.328 -0.634 0.000 1.057 128 H CA -2.360 53.418 56.048 -0.449 0.000 1.261 128 H CB 1.726 31.325 29.762 -0.271 0.000 1.397 128 H HN 0.586 8.636 8.280 -0.382 0.000 0.461 129 F N 6.737 126.407 119.950 -0.466 0.000 2.440 129 F HA 0.596 nan 4.527 nan 0.000 0.328 129 F C -1.432 174.032 175.800 -0.559 0.000 1.070 129 F CA -1.165 56.427 58.000 -0.680 0.000 1.011 129 F CB 2.751 40.980 39.000 -1.285 0.000 1.226 129 F HN 0.792 8.937 8.300 -0.258 0.000 0.491 130 A N -1.301 121.406 122.820 -0.188 0.000 2.586 130 A HA 0.738 nan 4.320 nan 0.000 0.290 130 A C -2.643 174.930 177.584 -0.019 0.000 1.086 130 A CA -0.153 51.833 52.037 -0.086 0.000 0.665 130 A CB 3.431 22.349 19.000 -0.136 0.000 1.279 130 A HN 0.361 8.434 8.150 -0.129 0.000 0.423 131 L N -1.057 120.189 121.223 0.039 0.000 2.262 131 L HA 0.564 nan 4.340 nan 0.000 0.288 131 L C -0.496 176.369 176.870 -0.008 0.000 1.035 131 L CA -1.311 53.551 54.840 0.036 0.000 0.820 131 L CB 0.464 42.573 42.059 0.084 0.000 1.204 131 L HN 0.211 8.482 8.230 0.067 0.000 0.424 132 T N 5.480 120.014 114.554 -0.032 0.000 2.899 132 T HA 0.287 nan 4.350 nan 0.000 0.284 132 T C 0.402 175.123 174.700 0.036 0.000 1.004 132 T CA -0.976 61.122 62.100 -0.003 0.000 1.043 132 T CB 1.514 70.326 68.868 -0.094 0.000 1.013 132 T HN 0.853 9.067 8.240 -0.044 0.000 0.518 133 H N 7.211 126.391 119.070 0.184 0.000 2.526 133 H HA 0.012 nan 4.556 nan 0.000 0.274 133 H C -0.160 175.353 175.328 0.309 0.000 0.999 133 H CA -0.145 56.046 56.048 0.239 0.000 1.157 133 H CB 0.253 30.145 29.762 0.217 0.000 1.407 133 H HN 0.545 8.993 8.280 0.280 0.000 0.568 134 Y N -2.809 117.631 120.300 0.234 0.000 3.305 134 Y HA -0.565 nan 4.550 nan 0.000 0.209 134 Y C -1.550 174.432 175.900 0.137 0.000 1.354 134 Y CA 0.282 58.498 58.100 0.193 0.000 1.392 134 Y CB -1.950 36.577 38.460 0.112 0.000 1.446 134 Y HN -0.315 8.035 8.280 0.237 0.073 0.553 135 A N -2.968 120.033 122.820 0.302 0.000 2.604 135 A HA 0.244 nan 4.320 nan 0.000 0.295 135 A C -3.018 174.714 177.584 0.248 0.000 1.067 135 A CA -0.569 51.652 52.037 0.307 0.000 0.683 135 A CB 3.918 23.144 19.000 0.377 0.000 1.281 135 A HN -0.590 7.709 8.150 0.248 0.000 0.407 136 A N 0.118 123.078 122.820 0.234 0.000 2.346 136 A HA 0.849 nan 4.320 nan 0.000 0.313 136 A C -1.510 176.178 177.584 0.173 0.000 1.140 136 A CA -1.649 50.482 52.037 0.157 0.000 0.826 136 A CB 2.697 21.757 19.000 0.099 0.000 1.332 136 A HN 0.183 8.493 8.150 0.267 0.000 0.457 137 Q N -0.739 119.091 119.800 0.051 0.000 2.331 137 Q HA 0.434 nan 4.340 nan 0.000 0.267 137 Q C -2.738 173.241 176.000 -0.036 0.000 1.006 137 Q CA -3.707 52.070 55.803 -0.044 0.000 0.818 137 Q CB 2.810 31.257 28.738 -0.484 0.000 1.276 137 Q HN -0.182 8.098 8.270 0.017 0.000 0.450 138 P HA 0.333 nan 4.420 nan 0.000 0.274 138 P C -1.566 175.789 177.300 0.092 0.000 1.231 138 P CA -0.586 62.568 63.100 0.090 0.000 0.790 138 P CB 0.703 32.434 31.700 0.052 0.000 0.951 139 G N -0.516 108.307 108.800 0.038 0.000 2.488 139 G HA2 0.045 nan 3.960 nan 0.000 0.301 139 G HA3 0.045 nan 3.960 nan 0.000 0.301 139 G C -1.223 173.368 174.900 -0.515 0.000 1.339 139 G CA 0.310 45.340 45.100 -0.116 0.000 0.803 139 G HN -0.593 7.728 8.290 0.052 0.000 0.482 140 G N -1.850 106.639 108.800 -0.517 0.000 3.519 140 G HA2 0.239 nan 3.960 nan 0.000 0.269 140 G HA3 0.239 nan 3.960 nan 0.000 0.269 140 G C -0.199 174.270 174.900 -0.719 0.000 1.028 140 G CA 0.110 44.800 45.100 -0.684 0.000 0.809 140 G HN 0.057 8.120 8.290 -0.378 0.000 0.521 141 Y N -1.250 118.944 120.300 -0.176 0.000 2.722 141 Y HA 0.313 nan 4.550 nan 0.000 0.314 141 Y C -0.201 175.803 175.900 0.172 0.000 1.008 141 Y CA -2.258 55.849 58.100 0.012 0.000 1.294 141 Y CB -0.915 37.594 38.460 0.081 0.000 1.231 141 Y HN -0.095 8.083 8.280 -0.170 0.000 0.558 142 Y N -2.236 118.155 120.300 0.153 0.000 2.373 142 Y HA -0.205 nan 4.550 nan 0.000 0.293 142 Y C 0.398 176.352 175.900 0.090 0.000 1.129 142 Y CA -0.320 57.868 58.100 0.147 0.000 1.226 142 Y CB -0.583 37.976 38.460 0.164 0.000 1.000 142 Y HN -0.133 8.002 8.280 -0.142 0.060 0.549 143 N N -0.153 118.680 118.700 0.220 0.000 2.483 143 N HA -0.263 nan 4.740 nan 0.000 0.264 143 N C 0.798 176.365 175.510 0.094 0.000 1.197 143 N CA 1.215 54.340 53.050 0.126 0.000 0.927 143 N CB 0.025 38.567 38.487 0.092 0.000 1.065 143 N HN -0.415 8.054 8.380 0.187 0.023 0.461 144 G N 2.625 111.443 108.800 0.031 0.000 2.195 144 G HA2 -0.365 nan 3.960 nan 0.000 0.246 144 G HA3 -0.365 nan 3.960 nan 0.000 0.246 144 G C 0.915 175.721 174.900 -0.158 0.000 0.984 144 G CA 0.571 45.668 45.100 -0.006 0.000 0.633 144 G HN 0.684 8.984 8.290 0.017 0.000 0.525 145 T N -3.452 110.969 114.554 -0.222 0.000 3.160 145 T HA -0.154 nan 4.350 nan 0.000 0.257 145 T C 0.742 175.209 174.700 -0.388 0.000 1.147 145 T CA 1.242 62.982 62.100 -0.600 0.000 1.064 145 T CB -0.412 68.341 68.868 -0.192 0.000 0.949 145 T HN -0.283 7.866 8.240 -0.059 0.055 0.526 146 R N -0.606 119.739 120.500 -0.258 0.000 2.362 146 R HA 0.017 nan 4.340 nan 0.000 0.227 146 R C -0.454 175.757 176.300 -0.148 0.000 0.905 146 R CA -0.222 55.668 56.100 -0.351 0.000 1.067 146 R CB 0.118 30.150 30.300 -0.446 0.000 1.078 146 R HN 0.040 8.147 8.270 -0.194 0.046 0.516 147 E N -0.436 119.737 120.200 -0.044 0.000 2.318 147 E HA -0.013 nan 4.350 nan 0.000 0.265 147 E C -0.023 176.677 176.600 0.167 0.000 1.069 147 E CA -0.481 55.946 56.400 0.044 0.000 0.893 147 E CB 0.702 30.439 29.700 0.062 0.000 1.076 147 E HN -0.518 7.621 8.360 -0.095 0.164 0.414 148 D N 0.374 120.824 120.400 0.084 0.000 2.301 148 D HA -0.053 nan 4.640 nan 0.000 0.206 148 D C 0.093 176.397 176.300 0.008 0.000 0.979 148 D CA 1.963 56.011 54.000 0.081 0.000 0.874 148 D CB 1.065 41.880 40.800 0.025 0.000 0.968 148 D HN 0.417 8.803 8.370 0.026 0.000 0.510 149 R N -1.286 119.144 120.500 -0.116 0.000 2.621 149 R HA 0.194 nan 4.340 nan 0.000 0.284 149 R C -1.835 174.393 176.300 -0.121 0.000 0.998 149 R CA -0.383 55.520 56.100 -0.328 0.000 0.895 149 R CB 2.533 32.191 30.300 -1.070 0.000 1.195 149 R HN -0.114 8.101 8.270 -0.090 0.000 0.450 150 N N 1.482 120.221 118.700 0.066 0.000 3.261 150 N HA 0.010 nan 4.740 nan 0.000 0.248 150 N C -0.863 174.793 175.510 0.243 0.000 1.498 150 N CA -0.850 52.282 53.050 0.137 0.000 0.884 150 N CB 0.861 39.440 38.487 0.154 0.000 1.428 150 N HN 0.032 8.543 8.380 0.217 0.000 0.517 151 K N -1.834 118.672 120.400 0.176 0.000 2.504 151 K HA -0.094 nan 4.320 nan 0.000 0.195 151 K C -0.297 176.398 176.600 0.159 0.000 1.036 151 K CA 1.944 58.325 56.287 0.156 0.000 0.984 151 K CB -0.426 32.131 32.500 0.094 0.000 0.788 151 K HN 0.312 8.643 8.250 0.134 0.000 0.488 152 L N -2.023 119.316 121.223 0.194 0.000 2.470 152 L HA 0.067 nan 4.340 nan 0.000 0.219 152 L C 0.072 177.208 176.870 0.443 0.000 1.071 152 L CA -0.424 54.561 54.840 0.242 0.000 0.850 152 L CB 0.816 42.977 42.059 0.170 0.000 1.040 152 L HN -0.126 8.458 8.230 0.203 -0.232 0.475 153 R N -0.788 119.897 120.500 0.309 0.000 2.585 153 R HA -0.176 nan 4.340 nan 0.000 0.275 153 R C -0.678 175.786 176.300 0.274 0.000 1.018 153 R CA 1.368 57.613 56.100 0.242 0.000 1.072 153 R CB -0.127 30.238 30.300 0.108 0.000 0.953 153 R HN -0.368 8.299 8.270 0.260 -0.241 0.419 154 H N 2.202 121.366 119.070 0.158 0.000 2.768 154 H HA 0.546 nan 4.556 nan 0.000 0.371 154 H C -1.798 173.543 175.328 0.021 0.000 1.151 154 H CA -0.845 55.288 56.048 0.141 0.000 1.165 154 H CB 3.782 33.715 29.762 0.286 0.000 1.722 154 H HN 0.268 8.714 8.280 0.277 0.000 0.543 155 L N 3.414 124.697 121.223 0.100 0.000 2.315 155 L HA 0.435 nan 4.340 nan 0.000 0.283 155 L C -1.868 175.032 176.870 0.050 0.000 1.089 155 L CA -0.128 54.766 54.840 0.090 0.000 0.833 155 L CB 0.521 42.656 42.059 0.128 0.000 1.170 155 L HN 0.211 8.485 8.230 0.074 0.000 0.442 156 I N 2.242 122.759 120.570 -0.088 0.000 2.957 156 I HA 1.029 nan 4.170 nan 0.000 0.310 156 I C -2.237 173.765 176.117 -0.191 0.000 1.063 156 I CA -2.616 58.506 61.300 -0.296 0.000 1.033 156 I CB 3.561 41.130 38.000 -0.719 0.000 1.230 156 I HN 0.673 8.837 8.210 -0.076 0.000 0.447 157 S N -0.941 114.570 115.700 -0.313 0.000 2.607 157 S HA 0.768 nan 4.470 nan 0.000 0.273 157 S C -1.657 172.678 174.600 -0.440 0.000 1.148 157 S CA -1.480 56.419 58.200 -0.501 0.000 0.833 157 S CB 3.190 65.913 63.200 -0.795 0.000 1.130 157 S HN 0.153 8.225 8.310 -0.397 0.000 0.470 158 V N -6.831 112.814 119.914 -0.449 0.000 3.040 158 V HA 0.497 nan 4.120 nan 0.000 0.312 158 V C -1.694 174.227 176.094 -0.289 0.000 1.115 158 V CA -3.008 59.102 62.300 -0.316 0.000 0.998 158 V CB 3.265 34.939 31.823 -0.249 0.000 1.042 158 V HN 0.359 8.232 8.190 -0.527 0.000 0.433 159 K N 0.998 121.280 120.400 -0.197 0.000 2.451 159 K HA -0.026 nan 4.320 nan 0.000 0.280 159 K C -0.301 176.246 176.600 -0.089 0.000 1.020 159 K CA 0.565 56.769 56.287 -0.138 0.000 1.008 159 K CB 0.768 33.217 32.500 -0.085 0.000 0.917 159 K HN 0.277 8.424 8.250 -0.171 0.000 0.478 160 L N 6.077 127.264 121.223 -0.060 0.000 2.559 160 L HA -0.306 nan 4.340 nan 0.000 0.274 160 L C -0.137 176.733 176.870 -0.001 0.000 1.205 160 L CA 1.897 56.727 54.840 -0.016 0.000 0.907 160 L CB -0.074 41.967 42.059 -0.031 0.000 1.153 160 L HN 0.070 8.161 8.230 -0.067 0.099 0.490 161 G N 5.324 114.137 108.800 0.021 0.000 2.278 161 G HA2 -0.231 nan 3.960 nan 0.000 0.210 161 G HA3 -0.231 nan 3.960 nan 0.000 0.210 161 G C -0.480 174.423 174.900 0.006 0.000 1.000 161 G CA -0.273 44.837 45.100 0.016 0.000 0.635 161 G HN 0.547 8.870 8.290 0.055 0.000 0.495 162 K N 1.380 121.773 120.400 -0.012 0.000 2.144 162 K HA 0.319 nan 4.320 nan 0.000 0.270 162 K C -0.501 176.079 176.600 -0.033 0.000 1.005 162 K CA -1.514 54.749 56.287 -0.041 0.000 0.932 162 K CB 0.753 33.206 32.500 -0.077 0.000 1.021 162 K HN -0.222 7.944 8.250 -0.017 0.074 0.462 163 I N 2.040 122.579 120.570 -0.052 0.000 2.452 163 I HA 0.070 nan 4.170 nan 0.000 0.287 163 I C -1.381 174.670 176.117 -0.110 0.000 1.079 163 I CA -4.332 56.939 61.300 -0.048 0.000 1.387 163 I CB -1.132 36.837 38.000 -0.050 0.000 1.404 163 I HN 0.318 8.485 8.210 -0.072 0.000 0.522 164 P HA 0.145 nan 4.420 nan 0.000 0.252 164 P C -1.408 175.786 177.300 -0.177 0.000 1.727 164 P CA -0.578 62.393 63.100 -0.215 0.000 1.134 164 P CB -1.385 30.129 31.700 -0.309 0.000 1.876 165 T N -1.454 113.014 114.554 -0.144 0.000 2.910 165 T HA 0.525 nan 4.350 nan 0.000 0.279 165 T C 1.279 175.930 174.700 -0.082 0.000 0.989 165 T CA -2.376 59.659 62.100 -0.108 0.000 0.968 165 T CB 2.638 71.448 68.868 -0.097 0.000 1.135 165 T HN -0.435 7.720 8.240 -0.142 0.000 0.562 166 V N 0.248 120.139 119.914 -0.037 0.000 2.332 166 V HA -0.391 nan 4.120 nan 0.000 0.248 166 V C 1.623 177.722 176.094 0.008 0.000 1.055 166 V CA 3.866 66.175 62.300 0.015 0.000 1.038 166 V CB -0.639 31.193 31.823 0.015 0.000 0.651 166 V HN 0.394 8.561 8.190 -0.037 0.000 0.450 167 E N -2.629 117.553 120.200 -0.031 0.000 2.250 167 E HA -0.119 nan 4.350 nan 0.000 0.192 167 E C 1.207 177.772 176.600 -0.058 0.000 0.986 167 E CA 1.591 57.967 56.400 -0.039 0.000 0.849 167 E CB -0.098 29.573 29.700 -0.048 0.000 0.797 167 E HN -0.107 8.227 8.360 -0.042 0.000 0.482 168 N N -0.675 117.976 118.700 -0.083 0.000 2.331 168 N HA -0.104 nan 4.740 nan 0.000 0.180 168 N C 0.191 175.619 175.510 -0.136 0.000 1.019 168 N CA 1.701 54.687 53.050 -0.107 0.000 0.881 168 N CB 0.782 39.196 38.487 -0.122 0.000 0.972 168 N HN -0.554 7.776 8.380 -0.084 0.000 0.435 169 S N -2.084 113.526 115.700 -0.149 0.000 2.617 169 S HA 0.097 nan 4.470 nan 0.000 0.269 169 S C -0.995 173.488 174.600 -0.194 0.000 1.292 169 S CA 1.052 59.108 58.200 -0.239 0.000 1.010 169 S CB 1.176 64.164 63.200 -0.354 0.000 0.944 169 S HN -0.483 7.758 8.310 -0.116 0.000 0.536 170 I N 2.106 122.482 120.570 -0.322 0.000 2.404 170 I HA 0.135 nan 4.170 nan 0.000 0.293 170 I C -1.252 174.574 176.117 -0.485 0.000 0.992 170 I CA -0.924 60.177 61.300 -0.333 0.000 1.149 170 I CB 2.395 40.079 38.000 -0.526 0.000 1.315 170 I HN 0.457 8.426 8.210 -0.401 0.000 0.446 171 F N 6.508 126.216 119.950 -0.404 0.000 2.350 171 F HA 0.253 nan 4.527 nan 0.000 0.365 171 F C -0.453 175.172 175.800 -0.292 0.000 1.122 171 F CA -0.516 57.317 58.000 -0.277 0.000 1.139 171 F CB -0.216 38.674 39.000 -0.183 0.000 1.220 171 F HN 0.224 8.597 8.300 0.121 0.000 0.499 172 H N 3.037 122.102 119.070 -0.009 0.000 2.372 172 H HA 0.022 nan 4.556 nan 0.000 0.301 172 H C -0.545 174.815 175.328 0.052 0.000 1.065 172 H CA 2.962 58.940 56.048 -0.117 0.000 1.364 172 H CB 1.836 31.384 29.762 -0.357 0.000 1.406 172 H HN 0.588 8.787 8.280 -0.135 0.000 0.521 173 M N -7.417 112.333 119.600 0.249 0.000 2.822 173 M HA 0.197 nan 4.480 nan 0.000 0.275 173 M C -2.998 173.250 176.300 -0.087 0.000 1.084 173 M CA -0.588 54.831 55.300 0.198 0.000 0.814 173 M CB 2.700 35.435 32.600 0.224 0.000 1.693 173 M HN -0.788 7.653 8.290 0.251 0.000 0.531 174 A N -0.711 121.913 122.820 -0.327 0.000 2.454 174 A HA 0.501 nan 4.320 nan 0.000 0.260 174 A C -1.567 175.820 177.584 -0.328 0.000 1.106 174 A CA 0.115 51.735 52.037 -0.695 0.000 0.780 174 A CB -0.251 18.514 19.000 -0.391 0.000 1.044 174 A HN 0.464 8.548 8.150 -0.110 0.000 0.498 175 A N 4.246 126.906 122.820 -0.266 0.000 2.565 175 A HA 0.534 nan 4.320 nan 0.000 0.298 175 A C -2.114 175.420 177.584 -0.083 0.000 1.062 175 A CA 0.376 52.271 52.037 -0.238 0.000 0.723 175 A CB 2.394 21.315 19.000 -0.133 0.000 1.282 175 A HN 0.343 8.228 8.150 -0.250 0.115 0.400 176 W N -2.500 118.803 121.300 0.004 0.000 2.846 176 W HA 0.369 nan 4.660 nan 0.000 0.391 176 W C -1.642 174.898 176.519 0.035 0.000 1.011 176 W CA -1.990 55.363 57.345 0.013 0.000 1.832 176 W CB 1.294 30.764 29.460 0.018 0.000 1.151 176 W HN 0.774 8.479 8.180 -0.792 0.000 0.582 177 S N -0.601 115.205 115.700 0.178 0.000 2.533 177 S HA 0.381 nan 4.470 nan 0.000 0.271 177 S C -2.055 172.566 174.600 0.036 0.000 1.143 177 S CA -0.004 58.301 58.200 0.175 0.000 0.891 177 S CB 2.023 65.360 63.200 0.229 0.000 1.105 177 S HN -0.817 7.433 8.310 -0.099 0.000 0.468 178 G N 1.846 110.680 108.800 0.056 0.000 2.695 178 G HA2 0.673 nan 3.960 nan 0.000 0.290 178 G HA3 0.673 nan 3.960 nan 0.000 0.290 178 G C -3.295 171.518 174.900 -0.144 0.000 1.410 178 G CA -0.696 44.421 45.100 0.029 0.000 0.844 178 G HN 0.399 9.091 8.290 0.082 -0.353 0.478 179 S N -2.043 113.563 115.700 -0.156 0.000 2.587 179 S HA 0.460 nan 4.470 nan 0.000 0.269 179 S C -2.573 171.938 174.600 -0.148 0.000 1.154 179 S CA -0.984 56.979 58.200 -0.394 0.000 0.824 179 S CB 1.820 64.831 63.200 -0.316 0.000 1.118 179 S HN 0.301 8.589 8.310 -0.037 0.000 0.462 180 A N -0.514 122.212 122.820 -0.158 0.000 2.597 180 A HA 0.882 nan 4.320 nan 0.000 0.292 180 A C -2.309 175.303 177.584 0.047 0.000 1.057 180 A CA -0.407 51.548 52.037 -0.138 0.000 0.674 180 A CB 3.060 21.710 19.000 -0.583 0.000 1.278 180 A HN -0.078 7.941 8.150 -0.219 0.000 0.416 181 c N -3.828 114.849 118.600 0.129 0.000 3.303 181 c HA 0.521 nan 4.570 nan 0.000 0.340 181 c C -2.130 171.940 174.090 -0.034 0.000 1.274 181 c CA -1.209 55.204 56.329 0.140 0.000 1.234 181 c CB 3.105 45.655 42.510 0.066 0.000 1.532 181 c HN 0.487 8.759 8.230 0.070 0.000 0.483 182 H N 2.269 121.119 119.070 -0.367 0.000 2.457 182 H HA 0.497 nan 4.556 nan 0.000 0.335 182 H C -1.003 174.176 175.328 -0.250 0.000 1.115 182 H CA 0.064 55.730 56.048 -0.636 0.000 1.219 182 H CB 3.055 32.108 29.762 -1.181 0.000 1.471 182 H HN 0.520 8.757 8.280 -0.073 0.000 0.491 183 D N 1.837 122.006 120.400 -0.385 0.000 2.369 183 D HA 0.073 nan 4.640 nan 0.000 0.211 183 D C 0.609 176.983 176.300 0.125 0.000 1.077 183 D CA -1.191 52.786 54.000 -0.038 0.000 0.842 183 D CB 1.147 41.992 40.800 0.075 0.000 0.947 183 D HN -0.159 7.803 8.370 -0.681 0.000 0.509 184 G N -0.221 108.594 108.800 0.025 0.000 2.339 184 G HA2 -0.379 nan 3.960 nan 0.000 0.209 184 G HA3 -0.379 nan 3.960 nan 0.000 0.209 184 G C -0.387 174.532 174.900 0.032 0.000 1.015 184 G CA 0.809 45.996 45.100 0.145 0.000 0.635 184 G HN -0.177 7.876 8.290 -0.290 0.063 0.499 185 R N -0.393 120.003 120.500 -0.175 0.000 2.225 185 R HA 0.112 nan 4.340 nan 0.000 0.194 185 R C -0.801 175.320 176.300 -0.299 0.000 0.949 185 R CA 0.750 56.726 56.100 -0.208 0.000 1.088 185 R CB 2.174 32.306 30.300 -0.279 0.000 1.106 185 R HN 0.140 8.574 8.270 -0.117 -0.234 0.566 186 E N -1.224 118.619 120.200 -0.595 0.000 2.412 186 E HA 0.192 nan 4.350 nan 0.000 0.279 186 E C -2.610 173.488 176.600 -0.836 0.000 0.984 186 E CA -1.320 54.690 56.400 -0.651 0.000 0.788 186 E CB 3.040 32.228 29.700 -0.852 0.000 1.277 186 E HN -0.085 8.339 8.360 -0.527 -0.381 0.455 187 W N 0.217 121.236 121.300 -0.467 0.000 2.266 187 W HA 0.251 nan 4.660 nan 0.000 0.317 187 W C -0.293 175.841 176.519 -0.642 0.000 1.310 187 W CA -0.217 56.837 57.345 -0.485 0.000 1.207 187 W CB 0.934 30.074 29.460 -0.533 0.000 1.199 187 W HN 0.134 8.250 8.180 -0.107 0.000 0.544 188 T N 6.396 120.810 114.554 -0.232 0.000 2.771 188 T HA 0.632 nan 4.350 nan 0.000 0.281 188 T C -1.397 173.127 174.700 -0.293 0.000 0.982 188 T CA -0.058 61.974 62.100 -0.113 0.000 0.978 188 T CB 0.644 69.539 68.868 0.045 0.000 0.930 188 T HN 0.870 9.022 8.240 -0.147 0.000 0.447 189 Y N 5.472 125.806 120.300 0.058 0.000 2.377 189 Y HA 0.766 nan 4.550 nan 0.000 0.339 189 Y C -1.329 174.552 175.900 -0.032 0.000 1.011 189 Y CA -2.180 55.895 58.100 -0.043 0.000 1.093 189 Y CB 2.581 40.982 38.460 -0.098 0.000 1.201 189 Y HN 0.801 9.144 8.280 0.105 0.000 0.455 190 I N 1.534 122.159 120.570 0.092 0.000 2.466 190 I HA 0.606 nan 4.170 nan 0.000 0.289 190 I C -1.262 174.860 176.117 0.008 0.000 1.026 190 I CA -1.427 59.888 61.300 0.024 0.000 1.078 190 I CB 2.287 40.263 38.000 -0.041 0.000 1.249 190 I HN 0.629 8.884 8.210 0.074 0.000 0.429 191 G N 4.906 113.696 108.800 -0.017 0.000 2.620 191 G HA2 0.628 nan 3.960 nan 0.000 0.301 191 G HA3 0.628 nan 3.960 nan 0.000 0.301 191 G C -2.917 171.871 174.900 -0.187 0.000 1.347 191 G CA -0.938 44.115 45.100 -0.078 0.000 0.971 191 G HN 0.465 8.752 8.290 -0.005 0.000 0.488 192 V N 2.071 121.778 119.914 -0.344 0.000 2.459 192 V HA 0.787 nan 4.120 nan 0.000 0.295 192 V C -1.650 173.809 176.094 -1.059 0.000 1.029 192 V CA -1.845 60.107 62.300 -0.579 0.000 0.874 192 V CB 1.194 32.636 31.823 -0.635 0.000 0.985 192 V HN 0.440 8.440 8.190 -0.317 0.000 0.438 193 D N 3.909 123.801 120.400 -0.846 0.000 2.895 193 D HA 0.311 nan 4.640 nan 0.000 0.320 193 D C -1.591 174.550 176.300 -0.266 0.000 1.249 193 D CA -2.190 51.247 54.000 -0.939 0.000 0.997 193 D CB 3.358 43.858 40.800 -0.500 0.000 1.430 193 D HN 0.208 8.270 8.370 -0.514 0.000 0.558 194 G N -4.749 104.100 108.800 0.082 0.000 2.541 194 G HA2 -0.213 nan 3.960 nan 0.000 0.686 194 G HA3 -0.213 nan 3.960 nan 0.000 0.686 194 G C -2.795 172.312 174.900 0.345 0.000 1.286 194 G CA -0.982 44.222 45.100 0.173 0.000 0.894 194 G HN -0.025 8.353 8.290 0.147 0.000 0.575 195 P HA 0.188 nan 4.420 nan 0.000 0.269 195 P C -0.277 177.131 177.300 0.180 0.000 1.215 195 P CA -0.932 62.269 63.100 0.167 0.000 0.780 195 P CB 0.712 32.471 31.700 0.099 0.000 0.898 196 D N 2.484 122.936 120.400 0.087 0.000 2.149 196 D HA -0.267 nan 4.640 nan 0.000 0.198 196 D C 1.906 178.241 176.300 0.058 0.000 0.990 196 D CA 3.862 57.885 54.000 0.038 0.000 0.839 196 D CB -0.647 40.124 40.800 -0.049 0.000 0.948 196 D HN 0.443 8.840 8.370 0.044 0.000 0.460 197 S N -4.796 110.934 115.700 0.049 0.000 2.603 197 S HA -0.039 nan 4.470 nan 0.000 0.220 197 S C -0.079 174.552 174.600 0.051 0.000 0.967 197 S CA 1.640 59.862 58.200 0.037 0.000 0.920 197 S CB -0.131 63.084 63.200 0.025 0.000 0.773 197 S HN -0.162 8.168 8.310 0.044 0.006 0.529 198 N N 0.489 119.239 118.700 0.083 0.000 2.658 198 N HA 0.084 nan 4.740 nan 0.000 0.238 198 N C -1.948 173.633 175.510 0.118 0.000 1.495 198 N CA 0.391 53.494 53.050 0.089 0.000 0.883 198 N CB 1.558 40.091 38.487 0.076 0.000 1.463 198 N HN -0.393 7.863 8.380 0.109 0.189 0.531 199 A N -0.904 122.000 122.820 0.141 0.000 2.259 199 A HA 0.538 nan 4.320 nan 0.000 0.278 199 A C -2.157 175.453 177.584 0.043 0.000 1.107 199 A CA -0.684 51.437 52.037 0.141 0.000 0.828 199 A CB 2.311 21.481 19.000 0.284 0.000 1.111 199 A HN -0.135 8.095 8.150 0.134 0.000 0.498 200 L N -2.239 118.950 121.223 -0.057 0.000 2.470 200 L HA 0.594 nan 4.340 nan 0.000 0.268 200 L C -2.094 174.694 176.870 -0.137 0.000 0.964 200 L CA -0.490 54.286 54.840 -0.107 0.000 0.839 200 L CB 4.277 46.258 42.059 -0.129 0.000 1.276 200 L HN 0.063 8.218 8.230 -0.125 0.000 0.403 201 I N 6.026 126.556 120.570 -0.067 0.000 2.471 201 I HA 0.151 nan 4.170 nan 0.000 0.286 201 I C -1.170 174.919 176.117 -0.047 0.000 1.079 201 I CA -0.208 61.062 61.300 -0.051 0.000 1.398 201 I CB -0.466 37.551 38.000 0.029 0.000 1.403 201 I HN 0.771 8.969 8.210 -0.019 0.000 0.530 202 K N 6.971 127.348 120.400 -0.039 0.000 2.324 202 K HA 0.763 nan 4.320 nan 0.000 0.253 202 K C -1.588 175.048 176.600 0.061 0.000 0.932 202 K CA -1.282 55.018 56.287 0.022 0.000 0.799 202 K CB 3.065 35.591 32.500 0.043 0.000 1.154 202 K HN 0.636 8.850 8.250 -0.060 0.000 0.425 203 I N 3.199 123.822 120.570 0.088 0.000 2.474 203 I HA 0.641 nan 4.170 nan 0.000 0.294 203 I C -1.986 174.199 176.117 0.113 0.000 1.005 203 I CA -1.354 59.996 61.300 0.083 0.000 1.113 203 I CB 3.241 41.266 38.000 0.043 0.000 1.289 203 I HN 0.712 8.982 8.210 0.100 0.000 0.436 204 K N 5.290 125.760 120.400 0.117 0.000 2.378 204 K HA 0.650 nan 4.320 nan 0.000 0.252 204 K C -2.336 174.398 176.600 0.223 0.000 0.931 204 K CA -1.584 54.747 56.287 0.073 0.000 0.794 204 K CB 4.325 36.788 32.500 -0.062 0.000 1.181 204 K HN 0.555 8.891 8.250 0.142 0.000 0.425 205 Y N 7.024 127.347 120.300 0.038 0.000 2.388 205 Y HA 0.285 nan 4.550 nan 0.000 0.328 205 Y C -0.496 175.462 175.900 0.096 0.000 0.963 205 Y CA -1.315 56.811 58.100 0.044 0.000 1.240 205 Y CB 1.597 40.068 38.460 0.019 0.000 1.118 205 Y HN 0.618 9.017 8.280 0.197 0.000 0.484 206 G N 9.833 118.612 108.800 -0.035 0.000 2.596 206 G HA2 -0.542 nan 3.960 nan 0.000 0.304 206 G HA3 -0.542 nan 3.960 nan 0.000 0.304 206 G C -0.797 174.206 174.900 0.172 0.000 1.189 206 G CA 1.560 46.717 45.100 0.095 0.000 0.986 206 G HN 0.647 8.868 8.290 -0.115 0.000 0.548 207 E N 2.835 123.081 120.200 0.076 0.000 2.385 207 E HA 0.009 nan 4.350 nan 0.000 0.194 207 E C -0.544 176.025 176.600 -0.052 0.000 1.013 207 E CA 0.348 56.761 56.400 0.022 0.000 0.866 207 E CB 0.470 30.197 29.700 0.045 0.000 0.832 207 E HN 0.241 8.639 8.360 0.064 0.000 0.500 208 A N 0.129 122.948 122.820 -0.002 0.000 2.309 208 A HA 0.258 nan 4.320 nan 0.000 0.298 208 A C -1.591 175.951 177.584 -0.070 0.000 1.165 208 A CA -0.520 51.533 52.037 0.026 0.000 0.821 208 A CB 1.350 20.417 19.000 0.111 0.000 1.102 208 A HN -0.407 7.729 8.150 0.052 0.045 0.500 209 Y N 2.100 122.469 120.300 0.114 0.000 2.393 209 Y HA -0.026 nan 4.550 nan 0.000 0.338 209 Y C 0.247 176.198 175.900 0.085 0.000 1.029 209 Y CA 0.777 58.936 58.100 0.098 0.000 1.239 209 Y CB 0.280 38.781 38.460 0.067 0.000 1.170 209 Y HN 0.367 8.834 8.280 0.311 0.000 0.515 210 T N 0.137 114.793 114.554 0.170 0.000 2.955 210 T HA 0.197 nan 4.350 nan 0.000 0.251 210 T C -1.101 173.649 174.700 0.082 0.000 1.002 210 T CA -0.583 61.583 62.100 0.111 0.000 0.970 210 T CB 2.119 71.031 68.868 0.074 0.000 1.091 210 T HN 0.706 9.038 8.240 0.154 0.000 0.495 211 D N -0.282 120.170 120.400 0.086 0.000 2.694 211 D HA 0.218 nan 4.640 nan 0.000 0.260 211 D C -2.520 173.812 176.300 0.053 0.000 1.250 211 D CA -0.137 53.899 54.000 0.060 0.000 0.763 211 D CB 3.184 44.007 40.800 0.037 0.000 1.311 211 D HN -0.763 7.672 8.370 0.109 0.000 0.420 212 T N -3.448 111.124 114.554 0.031 0.000 2.865 212 T HA 0.693 nan 4.350 nan 0.000 0.294 212 T C -2.106 172.607 174.700 0.021 0.000 1.119 212 T CA -1.927 60.162 62.100 -0.019 0.000 1.007 212 T CB 2.899 71.690 68.868 -0.129 0.000 1.225 212 T HN -0.099 8.166 8.240 0.042 0.000 0.515 213 Y N 0.295 120.488 120.300 -0.178 0.000 2.479 213 Y HA 0.333 nan 4.550 nan 0.000 0.338 213 Y C -1.783 174.023 175.900 -0.158 0.000 1.055 213 Y CA -0.617 57.424 58.100 -0.098 0.000 1.023 213 Y CB 3.823 42.267 38.460 -0.027 0.000 1.287 213 Y HN 0.211 8.470 8.280 -0.034 0.000 0.447 214 H N 4.261 123.139 119.070 -0.320 0.000 2.488 214 H HA 0.318 nan 4.556 nan 0.000 0.347 214 H C -0.638 174.677 175.328 -0.022 0.000 1.174 214 H CA -0.156 55.812 56.048 -0.134 0.000 1.307 214 H CB 1.742 31.413 29.762 -0.152 0.000 1.517 214 H HN 0.027 7.936 8.280 -0.618 0.000 0.554 215 S N 0.590 116.380 115.700 0.149 0.000 2.546 215 S HA -0.144 nan 4.470 nan 0.000 0.290 215 S C -0.127 174.533 174.600 0.100 0.000 1.290 215 S CA 0.988 59.233 58.200 0.075 0.000 1.069 215 S CB 0.337 63.561 63.200 0.039 0.000 0.846 215 S HN 0.060 8.462 8.310 0.153 0.000 0.495 216 Y N 2.499 122.860 120.300 0.102 0.000 2.462 216 Y HA 0.273 nan 4.550 nan 0.000 0.253 216 Y C -0.966 174.980 175.900 0.076 0.000 1.095 216 Y CA -1.080 57.073 58.100 0.089 0.000 1.283 216 Y CB 0.114 38.662 38.460 0.148 0.000 1.138 216 Y HN 0.149 8.435 8.280 -0.374 -0.231 0.522 217 A N -2.277 120.425 122.820 -0.197 0.000 2.508 217 A HA 0.179 nan 4.320 nan 0.000 0.250 217 A C -0.919 176.623 177.584 -0.070 0.000 1.208 217 A CA -0.655 51.335 52.037 -0.079 0.000 0.960 217 A CB 1.306 20.225 19.000 -0.134 0.000 1.099 217 A HN -0.269 7.956 8.150 -0.489 -0.368 0.542 218 N N -3.095 115.561 118.700 -0.073 0.000 2.725 218 N HA -0.416 nan 4.740 nan 0.000 0.251 218 N C -1.609 173.886 175.510 -0.024 0.000 1.031 218 N CA 1.001 54.035 53.050 -0.026 0.000 0.720 218 N CB -0.814 37.674 38.487 0.001 0.000 0.930 218 N HN -0.166 8.269 8.380 -0.109 -0.121 0.543 219 N N -1.578 117.094 118.700 -0.047 0.000 2.976 219 N HA 0.124 nan 4.740 nan 0.000 0.220 219 N C -1.452 174.039 175.510 -0.031 0.000 1.428 219 N CA -0.025 53.006 53.050 -0.031 0.000 0.748 219 N CB 1.016 39.483 38.487 -0.032 0.000 1.484 219 N HN -0.141 8.551 8.380 -0.088 -0.365 0.578 220 I N 0.725 121.302 120.570 0.011 0.000 7.474 220 I HA -0.541 nan 4.170 nan 0.000 0.126 220 I C -1.334 174.844 176.117 0.102 0.000 1.805 220 I CA 0.812 62.153 61.300 0.069 0.000 2.128 220 I CB -1.792 36.192 38.000 -0.026 0.000 3.592 220 I HN 0.597 8.820 8.210 0.021 0.000 0.196 221 L N 4.018 125.306 121.223 0.108 0.000 2.559 221 L HA -0.090 nan 4.340 nan 0.000 0.282 221 L C -1.071 175.905 176.870 0.177 0.000 1.232 221 L CA 1.334 56.211 54.840 0.062 0.000 0.885 221 L CB 0.180 42.271 42.059 0.054 0.000 1.131 221 L HN -0.013 8.283 8.230 0.110 0.000 0.498 222 R N 1.829 122.391 120.500 0.104 0.000 2.728 222 R HA 0.521 nan 4.340 nan 0.000 0.274 222 R C -2.370 173.951 176.300 0.035 0.000 1.030 222 R CA -1.335 54.849 56.100 0.140 0.000 0.876 222 R CB 2.761 33.180 30.300 0.199 0.000 1.259 222 R HN 0.333 8.629 8.270 0.044 0.000 0.468 223 T N -2.526 112.039 114.554 0.019 0.000 2.565 223 T HA 0.504 nan 4.350 nan 0.000 0.266 223 T C -0.177 174.488 174.700 -0.059 0.000 0.905 223 T CA -1.409 60.657 62.100 -0.057 0.000 1.122 223 T CB 1.851 70.664 68.868 -0.092 0.000 1.437 223 T HN 0.212 8.492 8.240 0.067 0.000 0.506 224 Q N 0.139 119.865 119.800 -0.124 0.000 2.119 224 Q HA -0.188 nan 4.340 nan 0.000 0.201 224 Q C 0.730 176.661 176.000 -0.115 0.000 0.972 224 Q CA 2.760 58.484 55.803 -0.131 0.000 0.847 224 Q CB 0.608 29.234 28.738 -0.187 0.000 0.903 224 Q HN 0.429 8.605 8.270 -0.157 0.000 0.433 225 E N -5.431 114.665 120.200 -0.175 0.000 2.791 225 E HA -0.334 nan 4.350 nan 0.000 0.271 225 E C -1.374 174.972 176.600 -0.423 0.000 1.044 225 E CA 1.070 57.385 56.400 -0.142 0.000 0.814 225 E CB -2.605 27.212 29.700 0.194 0.000 1.400 225 E HN 0.042 8.292 8.360 -0.183 0.000 0.423 226 S N -5.941 109.276 115.700 -0.806 0.000 2.636 226 S HA 0.213 nan 4.470 nan 0.000 0.268 226 S C -1.973 172.173 174.600 -0.757 0.000 1.159 226 S CA -1.745 55.984 58.200 -0.785 0.000 0.815 226 S CB 3.186 66.321 63.200 -0.109 0.000 1.130 226 S HN -0.883 6.960 8.310 -0.735 0.027 0.471 227 A N -0.655 121.999 122.820 -0.278 0.000 2.540 227 A HA 0.103 nan 4.320 nan 0.000 0.239 227 A C -0.095 177.452 177.584 -0.063 0.000 1.061 227 A CA 0.197 52.199 52.037 -0.059 0.000 0.758 227 A CB 0.104 19.229 19.000 0.208 0.000 0.991 227 A HN 0.362 8.498 8.150 -0.024 0.000 0.502 228 c N 0.461 119.026 118.600 -0.058 0.000 2.641 228 c HA 0.316 nan 4.570 nan 0.000 0.318 228 c C -0.274 173.834 174.090 0.031 0.000 1.490 228 c CA -2.412 53.904 56.329 -0.022 0.000 2.260 228 c CB 0.264 42.753 42.510 -0.035 0.000 2.103 228 c HN -0.191 8.001 8.230 -0.063 0.000 0.641 229 N N -0.746 117.979 118.700 0.042 0.000 2.454 229 N HA 0.307 nan 4.740 nan 0.000 0.291 229 N C -1.755 173.885 175.510 0.216 0.000 1.079 229 N CA 0.092 53.185 53.050 0.071 0.000 0.893 229 N CB 4.016 42.339 38.487 -0.272 0.000 1.512 229 N HN -0.184 8.228 8.380 0.054 0.000 0.497 230 c N 2.207 120.976 118.600 0.281 0.000 2.417 230 c HA 0.819 nan 4.570 nan 0.000 0.324 230 c C -1.101 173.072 174.090 0.138 0.000 1.240 230 c CA -1.536 54.891 56.329 0.164 0.000 1.632 230 c CB 1.550 44.062 42.510 0.003 0.000 2.241 230 c HN 0.603 9.012 8.230 0.298 0.000 0.499 231 I N 3.445 124.006 120.570 -0.015 0.000 2.512 231 I HA 0.203 nan 4.170 nan 0.000 0.287 231 I C -0.673 175.131 176.117 -0.521 0.000 1.069 231 I CA -1.110 59.983 61.300 -0.344 0.000 1.056 231 I CB 3.299 41.185 38.000 -0.190 0.000 1.229 231 I HN 0.811 9.032 8.210 0.019 0.000 0.429 232 G N 9.038 117.256 108.800 -0.968 0.000 2.258 232 G HA2 -0.466 nan 3.960 nan 0.000 0.274 232 G HA3 -0.466 nan 3.960 nan 0.000 0.274 232 G C -0.258 173.971 174.900 -1.118 0.000 1.021 232 G CA 1.179 45.814 45.100 -0.775 0.000 0.798 232 G HN 0.850 8.337 8.290 -1.338 0.000 0.507 233 G N -3.046 105.018 108.800 -1.226 0.000 2.217 233 G HA2 -0.550 nan 3.960 nan 0.000 0.246 233 G HA3 -0.550 nan 3.960 nan 0.000 0.246 233 G C -1.470 172.932 174.900 -0.830 0.000 0.990 233 G CA -0.169 43.899 45.100 -1.720 0.000 0.627 233 G HN 0.198 8.002 8.290 -0.758 0.031 0.522 234 D N 1.424 121.497 120.400 -0.545 0.000 2.274 234 D HA 0.496 nan 4.640 nan 0.000 0.239 234 D C -1.221 174.883 176.300 -0.326 0.000 1.104 234 D CA -0.669 53.080 54.000 -0.419 0.000 0.840 234 D CB 1.161 41.751 40.800 -0.350 0.000 1.100 234 D HN -0.340 7.567 8.370 -0.507 0.159 0.477 235 c N 3.634 122.018 118.600 -0.360 0.000 2.355 235 c HA 0.761 nan 4.570 nan 0.000 0.332 235 c C -1.101 172.801 174.090 -0.314 0.000 1.255 235 c CA -0.811 55.400 56.329 -0.197 0.000 1.792 235 c CB 1.336 43.765 42.510 -0.136 0.000 2.300 235 c HN 0.859 8.847 8.230 -0.403 0.000 0.515 236 Y N 1.912 122.185 120.300 -0.045 0.000 2.429 236 Y HA 0.708 nan 4.550 nan 0.000 0.342 236 Y C -1.881 174.027 175.900 0.013 0.000 1.004 236 Y CA -1.461 56.633 58.100 -0.009 0.000 1.075 236 Y CB 2.929 41.380 38.460 -0.015 0.000 1.214 236 Y HN 0.893 9.208 8.280 0.234 0.106 0.455 237 L N 1.962 123.286 121.223 0.168 0.000 2.438 237 L HA 0.604 nan 4.340 nan 0.000 0.270 237 L C -2.327 174.414 176.870 -0.216 0.000 0.972 237 L CA -1.011 53.824 54.840 -0.009 0.000 0.831 237 L CB 4.538 46.534 42.059 -0.105 0.000 1.273 237 L HN 0.523 8.864 8.230 0.185 0.000 0.405 238 M N 6.893 126.227 119.600 -0.445 0.000 2.217 238 M HA 0.553 nan 4.480 nan 0.000 0.354 238 M C -1.704 174.315 176.300 -0.469 0.000 1.225 238 M CA 0.294 55.035 55.300 -0.932 0.000 1.137 238 M CB 1.133 33.253 32.600 -0.800 0.000 1.576 238 M HN 0.560 9.089 8.290 -0.234 -0.379 0.461 239 I N -2.174 118.145 120.570 -0.419 0.000 2.892 239 I HA 0.958 nan 4.170 nan 0.000 0.306 239 I C -2.380 173.689 176.117 -0.080 0.000 1.078 239 I CA -2.269 58.921 61.300 -0.183 0.000 1.032 239 I CB 3.750 41.680 38.000 -0.116 0.000 1.229 239 I HN 0.559 8.440 8.210 -0.548 0.000 0.435 240 T N 1.711 116.268 114.554 0.005 0.000 2.816 240 T HA 0.512 nan 4.350 nan 0.000 0.299 240 T C -2.932 171.739 174.700 -0.048 0.000 1.230 240 T CA -0.876 61.253 62.100 0.048 0.000 1.007 240 T CB 2.911 71.756 68.868 -0.037 0.000 1.289 240 T HN 0.474 8.711 8.240 -0.005 0.000 0.508 241 D N 0.785 121.096 120.400 -0.150 0.000 2.878 241 D HA 0.491 nan 4.640 nan 0.000 0.211 241 D C -2.332 173.842 176.300 -0.210 0.000 1.271 241 D CA -0.378 53.432 54.000 -0.317 0.000 0.845 241 D CB 3.098 43.371 40.800 -0.878 0.000 1.679 241 D HN 0.049 8.391 8.370 -0.046 0.000 0.536 242 G N 2.142 110.859 108.800 -0.138 0.000 2.368 242 G HA2 -0.131 nan 3.960 nan 0.000 0.302 242 G HA3 -0.131 nan 3.960 nan 0.000 0.302 242 G C -2.277 172.592 174.900 -0.052 0.000 1.329 242 G CA 0.074 45.127 45.100 -0.078 0.000 0.935 242 G HN 0.234 8.451 8.290 -0.122 0.000 0.590 243 S N -0.570 115.123 115.700 -0.011 0.000 2.533 243 S HA 0.043 nan 4.470 nan 0.000 0.282 243 S C 1.714 176.346 174.600 0.052 0.000 1.304 243 S CA -1.284 56.924 58.200 0.014 0.000 1.063 243 S CB 0.746 63.964 63.200 0.029 0.000 0.881 243 S HN -0.156 8.157 8.310 0.005 0.000 0.493 244 A N 7.402 130.253 122.820 0.052 0.000 2.070 244 A HA -0.079 nan 4.320 nan 0.000 0.220 244 A C 0.000 177.621 177.584 0.062 0.000 1.159 244 A CA 2.334 54.435 52.037 0.107 0.000 0.656 244 A CB -0.291 18.734 19.000 0.042 0.000 0.800 244 A HN 0.508 8.669 8.150 0.020 0.000 0.453 245 S N -6.098 109.598 115.700 -0.007 0.000 2.711 245 S HA 0.257 nan 4.470 nan 0.000 0.247 245 S C -0.484 174.044 174.600 -0.120 0.000 1.079 245 S CA -1.620 56.516 58.200 -0.106 0.000 1.050 245 S CB 1.029 64.185 63.200 -0.074 0.000 0.885 245 S HN -0.558 7.727 8.310 0.007 0.030 0.498 246 G N 0.173 108.945 108.800 -0.047 0.000 2.827 246 G HA2 0.263 nan 3.960 nan 0.000 0.202 246 G HA3 0.263 nan 3.960 nan 0.000 0.202 246 G C -2.883 172.140 174.900 0.205 0.000 1.185 246 G CA -0.169 44.962 45.100 0.051 0.000 0.920 246 G HN -0.646 7.507 8.290 0.044 0.163 0.550 247 I N 0.659 121.368 120.570 0.231 0.000 2.452 247 I HA -0.034 nan 4.170 nan 0.000 0.287 247 I C -1.404 174.757 176.117 0.073 0.000 1.079 247 I CA 1.165 62.600 61.300 0.225 0.000 1.387 247 I CB 0.323 38.429 38.000 0.176 0.000 1.404 247 I HN 0.062 8.381 8.210 0.181 0.000 0.522 248 S N 8.299 123.969 115.700 -0.050 0.000 2.524 248 S HA 0.324 nan 4.470 nan 0.000 0.227 248 S C -1.952 172.614 174.600 -0.056 0.000 1.304 248 S CA -0.879 57.214 58.200 -0.178 0.000 1.185 248 S CB 0.728 63.597 63.200 -0.551 0.000 1.104 248 S HN 0.610 8.937 8.310 0.028 0.000 0.475 249 K N 5.461 125.919 120.400 0.097 0.000 2.285 249 K HA 0.490 nan 4.320 nan 0.000 0.286 249 K C -0.774 175.945 176.600 0.198 0.000 1.072 249 K CA -1.050 55.326 56.287 0.149 0.000 0.913 249 K CB 0.596 33.204 32.500 0.181 0.000 1.067 249 K HN 0.036 8.368 8.250 0.136 0.000 0.479 250 C N 2.422 121.792 119.300 0.118 0.000 2.563 250 C HA 0.575 nan 4.460 nan 0.000 0.358 250 C C -0.274 174.740 174.990 0.039 0.000 1.336 250 C CA -2.369 56.693 59.018 0.073 0.000 2.454 250 C CB 0.866 28.582 27.740 -0.040 0.000 2.448 250 C HN 0.598 8.884 8.230 0.095 0.000 0.670 251 R N -2.605 117.835 120.500 -0.099 0.000 2.855 251 R HA 0.636 nan 4.340 nan 0.000 0.266 251 R C -1.915 174.196 176.300 -0.316 0.000 1.034 251 R CA -1.621 54.373 56.100 -0.178 0.000 0.944 251 R CB 4.588 34.662 30.300 -0.376 0.000 1.219 251 R HN 0.309 8.490 8.270 -0.148 0.000 0.474 252 F N -1.521 118.289 119.950 -0.233 0.000 2.508 252 F HA 0.767 nan 4.527 nan 0.000 0.325 252 F C -1.194 174.458 175.800 -0.247 0.000 1.090 252 F CA -1.084 56.814 58.000 -0.170 0.000 0.945 252 F CB 3.197 42.157 39.000 -0.067 0.000 1.156 252 F HN 0.179 8.473 8.300 -0.011 0.000 0.463 253 L N 0.715 121.869 121.223 -0.115 0.000 2.325 253 L HA 0.683 nan 4.340 nan 0.000 0.278 253 L C -1.699 175.081 176.870 -0.151 0.000 1.023 253 L CA -1.257 53.458 54.840 -0.209 0.000 0.811 253 L CB 2.239 44.104 42.059 -0.323 0.000 1.249 253 L HN 0.811 8.974 8.230 -0.112 0.000 0.431 254 K N 2.851 123.111 120.400 -0.234 0.000 2.307 254 K HA 0.655 nan 4.320 nan 0.000 0.263 254 K C -1.778 174.621 176.600 -0.335 0.000 0.973 254 K CA -0.951 55.070 56.287 -0.443 0.000 0.846 254 K CB 2.133 34.388 32.500 -0.408 0.000 1.100 254 K HN 0.544 8.673 8.250 -0.202 0.000 0.438 255 I N 6.643 126.998 120.570 -0.359 0.000 2.498 255 I HA 0.624 nan 4.170 nan 0.000 0.290 255 I C -2.421 173.521 176.117 -0.292 0.000 1.032 255 I CA -1.202 59.942 61.300 -0.259 0.000 1.073 255 I CB 3.382 41.263 38.000 -0.198 0.000 1.251 255 I HN 0.866 8.796 8.210 -0.468 0.000 0.426 256 R N 5.037 125.373 120.500 -0.273 0.000 2.538 256 R HA 0.340 nan 4.340 nan 0.000 0.292 256 R C -0.459 175.633 176.300 -0.346 0.000 1.008 256 R CA -0.881 55.031 56.100 -0.313 0.000 0.896 256 R CB 2.957 33.088 30.300 -0.282 0.000 1.187 256 R HN 0.877 9.007 8.270 -0.233 0.000 0.440 257 E N 5.928 125.830 120.200 -0.495 0.000 2.328 257 E HA -0.426 nan 4.350 nan 0.000 0.233 257 E C -0.873 175.171 176.600 -0.928 0.000 1.219 257 E CA 0.996 56.790 56.400 -1.009 0.000 0.717 257 E CB -1.807 27.563 29.700 -0.549 0.000 1.210 257 E HN 1.110 9.222 8.360 -0.413 0.000 0.381 258 G N -7.065 101.390 108.800 -0.575 0.000 2.179 258 G HA2 -0.508 nan 3.960 nan 0.000 0.260 258 G HA3 -0.508 nan 3.960 nan 0.000 0.260 258 G C -0.946 173.876 174.900 -0.130 0.000 0.977 258 G CA 0.163 45.135 45.100 -0.213 0.000 0.641 258 G HN 0.506 8.498 8.290 -0.482 0.009 0.533 259 R N -0.635 119.770 120.500 -0.159 0.000 2.670 259 R HA 0.569 nan 4.340 nan 0.000 0.289 259 R C -1.246 174.994 176.300 -0.101 0.000 0.965 259 R CA -1.953 54.092 56.100 -0.092 0.000 0.899 259 R CB 3.050 33.303 30.300 -0.079 0.000 1.173 259 R HN -0.297 7.679 8.270 -0.223 0.160 0.456 260 I N 5.199 125.733 120.570 -0.060 0.000 2.436 260 I HA -0.100 nan 4.170 nan 0.000 0.289 260 I C 0.394 176.476 176.117 -0.058 0.000 1.083 260 I CA 1.965 63.224 61.300 -0.068 0.000 1.372 260 I CB -0.162 37.834 38.000 -0.006 0.000 1.408 260 I HN 0.273 8.817 8.210 -0.023 -0.348 0.516 261 I N 3.144 123.655 120.570 -0.098 0.000 4.070 261 I HA 0.280 nan 4.170 nan 0.000 0.328 261 I C -0.343 175.738 176.117 -0.060 0.000 1.298 261 I CA 0.121 61.375 61.300 -0.076 0.000 1.173 261 I CB 1.247 39.183 38.000 -0.106 0.000 1.051 261 I HN 0.873 8.998 8.210 -0.142 0.000 0.409 262 K N 0.174 120.525 120.400 -0.080 0.000 2.562 262 K HA 0.236 nan 4.320 nan 0.000 0.267 262 K C -2.301 174.242 176.600 -0.096 0.000 0.938 262 K CA -0.639 55.615 56.287 -0.055 0.000 0.840 262 K CB 4.043 36.514 32.500 -0.049 0.000 1.390 262 K HN -0.654 7.526 8.250 -0.115 0.000 0.428 263 E N 3.044 123.186 120.200 -0.097 0.000 2.166 263 E HA 0.626 nan 4.350 nan 0.000 0.275 263 E C -0.894 175.479 176.600 -0.378 0.000 0.941 263 E CA -0.999 55.227 56.400 -0.291 0.000 0.784 263 E CB 2.184 31.687 29.700 -0.329 0.000 1.115 263 E HN 0.216 8.563 8.360 -0.022 0.000 0.399 264 I N 4.482 124.801 120.570 -0.417 0.000 2.389 264 I HA 0.205 nan 4.170 nan 0.000 0.288 264 I C -1.423 174.465 176.117 -0.382 0.000 0.999 264 I CA -0.837 60.324 61.300 -0.233 0.000 1.129 264 I CB 2.558 40.547 38.000 -0.018 0.000 1.288 264 I HN 0.621 8.599 8.210 -0.387 0.000 0.444 265 F N 7.117 127.098 119.950 0.052 0.000 2.361 265 F HA 0.342 nan 4.527 nan 0.000 0.364 265 F C -1.737 174.098 175.800 0.058 0.000 1.117 265 F CA -3.180 54.843 58.000 0.038 0.000 1.071 265 F CB -0.052 38.950 39.000 0.005 0.000 1.188 265 F HN 0.304 8.714 8.300 0.184 0.000 0.464 266 P HA -0.015 nan 4.420 nan 0.000 0.269 266 P C -1.352 176.025 177.300 0.128 0.000 1.215 266 P CA -0.487 62.703 63.100 0.150 0.000 0.780 266 P CB 0.333 32.138 31.700 0.175 0.000 0.898 267 T N 2.169 116.777 114.554 0.089 0.000 2.949 267 T HA 0.300 nan 4.350 nan 0.000 0.287 267 T C -0.630 174.081 174.700 0.017 0.000 1.034 267 T CA -1.643 60.490 62.100 0.055 0.000 1.018 267 T CB 2.212 71.109 68.868 0.049 0.000 1.135 267 T HN 0.202 8.494 8.240 0.085 0.000 0.532 268 G N 2.084 110.871 108.800 -0.021 0.000 2.501 268 G HA2 -0.245 nan 3.960 nan 0.000 0.213 268 G HA3 -0.245 nan 3.960 nan 0.000 0.213 268 G C -1.867 172.989 174.900 -0.073 0.000 1.158 268 G CA -0.203 44.846 45.100 -0.085 0.000 1.079 268 G HN -0.112 8.171 8.290 -0.011 0.000 0.586 269 R N 3.762 124.203 120.500 -0.099 0.000 2.230 269 R HA 0.236 nan 4.340 nan 0.000 0.337 269 R C -1.095 175.205 176.300 -0.000 0.000 1.063 269 R CA -0.435 55.625 56.100 -0.067 0.000 0.935 269 R CB -0.907 29.330 30.300 -0.105 0.000 1.121 269 R HN 0.331 8.400 8.270 -0.140 0.117 0.486 270 V N 4.935 124.864 119.914 0.026 0.000 3.477 270 V HA 0.202 nan 4.120 nan 0.000 0.297 270 V C 0.273 176.429 176.094 0.104 0.000 1.433 270 V CA -0.031 62.312 62.300 0.072 0.000 1.052 270 V CB 0.724 32.585 31.823 0.062 0.000 0.895 270 V HN 0.191 8.385 8.190 0.006 0.000 0.438 271 E N -1.326 118.938 120.200 0.107 0.000 2.204 271 E HA -0.177 nan 4.350 nan 0.000 0.194 271 E C -0.603 176.196 176.600 0.331 0.000 0.989 271 E CA 2.011 58.516 56.400 0.176 0.000 0.824 271 E CB 0.196 29.943 29.700 0.079 0.000 0.756 271 E HN 0.193 8.593 8.360 0.067 0.000 0.477 272 H N -2.459 116.733 119.070 0.203 0.000 3.240 272 H HA 0.284 nan 4.556 nan 0.000 0.329 272 H C -2.384 173.008 175.328 0.105 0.000 1.024 272 H CA -0.512 55.630 56.048 0.156 0.000 1.487 272 H CB 2.106 31.954 29.762 0.143 0.000 1.909 272 H HN -0.744 7.714 8.280 0.297 0.000 0.465 273 T N 9.186 123.803 114.554 0.106 0.000 2.937 273 T HA 0.527 nan 4.350 nan 0.000 0.297 273 T C -2.130 172.586 174.700 0.027 0.000 0.991 273 T CA -0.330 61.843 62.100 0.122 0.000 0.990 273 T CB 1.591 70.522 68.868 0.105 0.000 0.991 273 T HN 0.511 8.722 8.240 -0.048 0.000 0.440 274 E N 2.278 122.517 120.200 0.065 0.000 2.446 274 E HA 0.479 nan 4.350 nan 0.000 0.276 274 E C -0.835 175.774 176.600 0.015 0.000 0.969 274 E CA -2.220 54.188 56.400 0.013 0.000 0.800 274 E CB 3.387 33.106 29.700 0.032 0.000 1.341 274 E HN 0.418 8.856 8.360 0.130 0.000 0.460 275 E N -3.701 116.494 120.200 -0.008 0.000 2.328 275 E HA -0.472 nan 4.350 nan 0.000 0.233 275 E C -0.619 175.970 176.600 -0.018 0.000 1.219 275 E CA 0.767 57.153 56.400 -0.023 0.000 0.717 275 E CB -1.665 28.004 29.700 -0.052 0.000 1.210 275 E HN 0.487 8.842 8.360 -0.008 0.000 0.381 276 c N -1.695 116.898 118.600 -0.013 0.000 2.611 276 c HA -0.125 nan 4.570 nan 0.000 0.416 276 c C 0.487 174.607 174.090 0.051 0.000 1.366 276 c CA 1.066 57.413 56.329 0.030 0.000 1.761 276 c CB -0.231 42.312 42.510 0.055 0.000 2.619 276 c HN -0.541 7.649 8.230 -0.040 0.016 0.606 277 T N 6.728 121.350 114.554 0.113 0.000 2.756 277 T HA 0.275 nan 4.350 nan 0.000 0.290 277 T C -1.450 173.390 174.700 0.234 0.000 0.985 277 T CA 0.375 62.582 62.100 0.177 0.000 0.955 277 T CB 0.587 69.604 68.868 0.248 0.000 0.930 277 T HN 0.355 8.665 8.240 0.116 0.000 0.451 278 c N 5.533 124.222 118.600 0.149 0.000 2.561 278 c HA 0.948 nan 4.570 nan 0.000 0.319 278 c C -0.837 173.259 174.090 0.011 0.000 1.198 278 c CA -2.235 54.157 56.329 0.105 0.000 1.665 278 c CB 3.393 45.935 42.510 0.053 0.000 2.258 278 c HN 0.688 8.982 8.230 0.107 0.000 0.493 279 G N -0.196 108.583 108.800 -0.035 0.000 2.645 279 G HA2 0.544 nan 3.960 nan 0.000 0.292 279 G HA3 0.544 nan 3.960 nan 0.000 0.292 279 G C -2.898 171.834 174.900 -0.279 0.000 1.415 279 G CA -0.351 44.693 45.100 -0.094 0.000 0.785 279 G HN 0.512 8.822 8.290 0.033 0.000 0.483 280 F N -0.533 119.339 119.950 -0.131 0.000 2.424 280 F HA 0.291 nan 4.527 nan 0.000 0.356 280 F C -0.297 175.136 175.800 -0.613 0.000 1.110 280 F CA -0.649 57.188 58.000 -0.272 0.000 1.161 280 F CB 0.577 39.495 39.000 -0.138 0.000 1.115 280 F HN 0.251 8.610 8.300 0.098 0.000 0.507 281 A N 4.940 127.474 122.820 -0.477 0.000 2.072 281 A HA 0.096 nan 4.320 nan 0.000 0.216 281 A C -0.842 176.665 177.584 -0.129 0.000 1.156 281 A CA 1.061 52.805 52.037 -0.488 0.000 0.701 281 A CB 0.808 19.665 19.000 -0.238 0.000 0.816 281 A HN 0.538 8.529 8.150 -0.264 0.000 0.458 282 S N -4.209 111.475 115.700 -0.027 0.000 2.694 282 S HA 0.133 nan 4.470 nan 0.000 0.273 282 S C -0.937 173.667 174.600 0.006 0.000 1.180 282 S CA -0.966 57.229 58.200 -0.008 0.000 0.864 282 S CB 0.697 63.891 63.200 -0.011 0.000 1.198 282 S HN -0.822 7.507 8.310 0.032 0.000 0.499 283 N N -0.412 118.268 118.700 -0.032 0.000 2.550 283 N HA -0.109 nan 4.740 nan 0.000 0.186 283 N C -0.316 175.199 175.510 0.008 0.000 1.110 283 N CA 1.687 54.709 53.050 -0.046 0.000 0.912 283 N CB -0.247 38.224 38.487 -0.027 0.000 0.968 283 N HN 0.308 8.669 8.380 -0.031 0.000 0.448 284 K N -1.584 118.824 120.400 0.014 0.000 2.391 284 K HA 0.157 nan 4.320 nan 0.000 0.197 284 K C -1.436 175.156 176.600 -0.013 0.000 1.087 284 K CA 0.544 56.833 56.287 0.003 0.000 1.012 284 K CB 2.206 34.702 32.500 -0.007 0.000 0.925 284 K HN -0.459 7.721 8.250 0.010 0.076 0.547 285 T N 1.144 115.699 114.554 0.001 0.000 2.879 285 T HA 0.498 nan 4.350 nan 0.000 0.290 285 T C -1.758 172.888 174.700 -0.090 0.000 0.993 285 T CA -0.130 61.931 62.100 -0.063 0.000 0.975 285 T CB 2.424 71.254 68.868 -0.062 0.000 0.981 285 T HN -0.675 7.589 8.240 0.039 0.000 0.439 286 I N 6.061 126.488 120.570 -0.238 0.000 2.353 286 I HA 0.471 nan 4.170 nan 0.000 0.293 286 I C -1.602 174.372 176.117 -0.238 0.000 0.992 286 I CA -0.396 60.686 61.300 -0.362 0.000 1.268 286 I CB 1.181 38.846 38.000 -0.558 0.000 1.387 286 I HN 0.812 8.851 8.210 -0.284 0.000 0.478 287 E N 5.672 125.812 120.200 -0.101 0.000 2.244 287 E HA 0.739 nan 4.350 nan 0.000 0.266 287 E C -1.756 174.855 176.600 0.019 0.000 0.914 287 E CA -1.832 54.538 56.400 -0.049 0.000 0.794 287 E CB 3.944 33.787 29.700 0.239 0.000 1.210 287 E HN 0.486 8.798 8.360 -0.080 0.000 0.414 288 c N 0.177 118.592 118.600 -0.308 0.000 2.609 288 c HA 0.847 nan 4.570 nan 0.000 0.313 288 c C -1.537 172.283 174.090 -0.450 0.000 1.175 288 c CA -1.512 54.745 56.329 -0.119 0.000 1.434 288 c CB 3.403 45.928 42.510 0.023 0.000 2.005 288 c HN 0.340 8.157 8.230 -0.689 0.000 0.471 289 A N 3.056 125.723 122.820 -0.255 0.000 2.271 289 A HA 0.812 nan 4.320 nan 0.000 0.317 289 A C -1.594 175.991 177.584 0.002 0.000 1.245 289 A CA -1.840 50.081 52.037 -0.193 0.000 0.857 289 A CB 1.209 20.073 19.000 -0.228 0.000 1.175 289 A HN 0.641 8.840 8.150 0.082 0.000 0.512 290 c N 3.311 121.929 118.600 0.029 0.000 2.803 290 c HA 0.905 nan 4.570 nan 0.000 0.389 290 c C -1.214 172.905 174.090 0.047 0.000 1.433 290 c CA -2.155 54.202 56.329 0.047 0.000 1.714 290 c CB 4.312 46.862 42.510 0.067 0.000 2.106 290 c HN 0.930 9.185 8.230 0.043 0.000 0.480 291 R N 0.347 120.876 120.500 0.048 0.000 2.514 291 R HA 0.265 nan 4.340 nan 0.000 0.301 291 R C -2.544 173.811 176.300 0.092 0.000 0.962 291 R CA -0.938 55.185 56.100 0.037 0.000 0.882 291 R CB 2.667 32.970 30.300 0.005 0.000 1.143 291 R HN 0.648 8.950 8.270 0.053 0.000 0.452 292 D N 6.008 126.425 120.400 0.027 0.000 2.414 292 D HA 0.146 nan 4.640 nan 0.000 0.232 292 D C -0.809 175.316 176.300 -0.292 0.000 1.070 292 D CA -1.229 52.739 54.000 -0.053 0.000 0.839 292 D CB 1.211 41.995 40.800 -0.027 0.000 1.079 292 D HN 0.318 8.685 8.370 -0.005 0.000 0.521 293 N N 6.123 124.476 118.700 -0.578 0.000 2.398 293 N HA 0.013 nan 4.740 nan 0.000 0.188 293 N C 0.068 175.271 175.510 -0.511 0.000 1.122 293 N CA 1.189 54.009 53.050 -0.383 0.000 0.866 293 N CB 1.503 39.918 38.487 -0.120 0.000 0.970 293 N HN 0.010 7.969 8.380 -0.702 0.000 0.462 294 S N -0.544 114.661 115.700 -0.825 0.000 2.891 294 S HA 0.160 nan 4.470 nan 0.000 0.247 294 S C 1.113 175.347 174.600 -0.609 0.000 1.063 294 S CA 1.586 59.312 58.200 -0.790 0.000 0.857 294 S CB 0.993 63.469 63.200 -1.206 0.000 0.800 294 S HN 0.051 8.017 8.310 -1.025 -0.271 0.540 295 Y N -3.852 116.335 120.300 -0.188 0.000 2.498 295 Y HA 0.196 nan 4.550 nan 0.000 0.259 295 Y C -0.364 175.469 175.900 -0.112 0.000 1.086 295 Y CA -0.066 57.966 58.100 -0.115 0.000 1.287 295 Y CB 1.528 39.942 38.460 -0.076 0.000 1.146 295 Y HN -0.211 8.142 8.280 -0.498 -0.372 0.523 296 T N -3.582 110.970 114.554 -0.004 0.000 2.840 296 T HA 0.212 nan 4.350 nan 0.000 0.317 296 T C -2.080 172.569 174.700 -0.086 0.000 1.401 296 T CA -1.387 60.683 62.100 -0.049 0.000 1.028 296 T CB 2.537 71.389 68.868 -0.027 0.000 1.317 296 T HN -0.771 7.573 8.240 -0.054 -0.137 0.495 297 A N 1.293 124.037 122.820 -0.127 0.000 2.308 297 A HA 0.338 nan 4.320 nan 0.000 0.217 297 A C -0.632 176.907 177.584 -0.074 0.000 1.216 297 A CA -0.165 51.806 52.037 -0.110 0.000 0.864 297 A CB 0.986 19.902 19.000 -0.140 0.000 0.902 297 A HN 0.539 8.585 8.150 -0.174 0.000 0.499 298 K N -0.170 120.178 120.400 -0.085 0.000 2.270 298 K HA -0.074 nan 4.320 nan 0.000 0.276 298 K C -0.917 175.693 176.600 0.016 0.000 1.023 298 K CA -0.165 56.119 56.287 -0.005 0.000 0.955 298 K CB 0.578 33.070 32.500 -0.012 0.000 0.975 298 K HN -0.589 7.540 8.250 -0.120 0.049 0.471 299 R N 1.823 122.344 120.500 0.035 0.000 2.308 299 R HA 0.241 nan 4.340 nan 0.000 0.305 299 R C -2.024 174.347 176.300 0.118 0.000 1.053 299 R CA -2.600 53.536 56.100 0.060 0.000 0.957 299 R CB -0.213 30.119 30.300 0.054 0.000 1.022 299 R HN 0.266 8.551 8.270 0.025 0.000 0.461 300 P HA -0.114 nan 4.420 nan 0.000 0.262 300 P C -1.949 175.488 177.300 0.228 0.000 1.182 300 P CA 0.979 64.175 63.100 0.161 0.000 0.761 300 P CB 0.116 31.899 31.700 0.138 0.000 0.795 301 F N 5.658 125.719 119.950 0.184 0.000 2.460 301 F HA 0.478 nan 4.527 nan 0.000 0.341 301 F C -1.511 174.524 175.800 0.391 0.000 1.130 301 F CA -1.525 56.616 58.000 0.234 0.000 0.962 301 F CB 3.033 42.187 39.000 0.257 0.000 1.171 301 F HN 0.363 8.918 8.300 0.425 0.000 0.436 302 V N 8.905 128.803 119.914 -0.025 0.000 2.567 302 V HA 0.362 nan 4.120 nan 0.000 0.289 302 V C -1.168 174.896 176.094 -0.050 0.000 1.049 302 V CA -0.838 61.505 62.300 0.072 0.000 0.969 302 V CB 0.630 32.466 31.823 0.023 0.000 0.995 302 V HN 0.705 8.699 8.190 -0.325 0.000 0.471 303 K N 5.420 125.884 120.400 0.108 0.000 2.535 303 K HA 0.626 nan 4.320 nan 0.000 0.253 303 K C -1.969 174.577 176.600 -0.091 0.000 0.953 303 K CA -1.185 55.085 56.287 -0.029 0.000 0.863 303 K CB 2.157 34.616 32.500 -0.069 0.000 1.111 303 K HN 0.564 8.986 8.250 0.285 0.000 0.431 304 L N 5.434 126.514 121.223 -0.239 0.000 2.280 304 L HA 0.439 nan 4.340 nan 0.000 0.287 304 L C -2.381 174.330 176.870 -0.264 0.000 1.023 304 L CA -1.487 53.151 54.840 -0.336 0.000 0.819 304 L CB 2.544 44.223 42.059 -0.633 0.000 1.212 304 L HN 0.879 8.956 8.230 -0.255 0.000 0.420 305 N N 6.964 125.559 118.700 -0.176 0.000 2.401 305 N HA 0.114 nan 4.740 nan 0.000 0.255 305 N C 0.116 175.535 175.510 -0.152 0.000 1.110 305 N CA 0.234 53.209 53.050 -0.124 0.000 0.949 305 N CB 1.097 39.550 38.487 -0.057 0.000 1.110 305 N HN 0.354 8.645 8.380 -0.147 0.000 0.490 306 V N 6.092 125.908 119.914 -0.163 0.000 2.667 306 V HA -0.328 nan 4.120 nan 0.000 0.252 306 V C 0.520 176.609 176.094 -0.008 0.000 1.065 306 V CA 2.898 65.109 62.300 -0.148 0.000 1.083 306 V CB -0.200 31.550 31.823 -0.121 0.000 0.692 306 V HN 0.616 8.724 8.190 -0.137 0.000 0.468 307 E N -3.615 116.580 120.200 -0.008 0.000 2.152 307 E HA -0.168 nan 4.350 nan 0.000 0.192 307 E C 1.113 177.723 176.600 0.018 0.000 0.983 307 E CA 2.026 58.434 56.400 0.014 0.000 0.818 307 E CB 0.340 30.045 29.700 0.008 0.000 0.758 307 E HN -0.098 8.440 8.360 -0.027 -0.194 0.467 308 T N -8.536 106.023 114.554 0.007 0.000 3.023 308 T HA 0.223 nan 4.350 nan 0.000 0.253 308 T C 0.183 174.897 174.700 0.022 0.000 1.038 308 T CA -0.915 61.195 62.100 0.015 0.000 0.962 308 T CB 0.760 69.635 68.868 0.012 0.000 1.018 308 T HN -0.649 7.791 8.240 -0.010 -0.206 0.521 309 D N 0.629 121.040 120.400 0.018 0.000 2.697 309 D HA -0.357 nan 4.640 nan 0.000 0.238 309 D C -1.282 175.026 176.300 0.013 0.000 1.152 309 D CA 1.440 55.462 54.000 0.036 0.000 0.666 309 D CB -1.726 39.125 40.800 0.084 0.000 1.037 309 D HN -0.031 8.340 8.370 0.002 0.000 0.423 310 T N -8.363 106.177 114.554 -0.023 0.000 2.906 310 T HA 0.453 nan 4.350 nan 0.000 0.295 310 T C -2.524 172.142 174.700 -0.057 0.000 1.061 310 T CA -2.720 59.375 62.100 -0.008 0.000 1.000 310 T CB 3.971 72.851 68.868 0.020 0.000 1.103 310 T HN -0.723 7.488 8.240 -0.048 0.000 0.486 311 A N 0.822 123.621 122.820 -0.035 0.000 2.435 311 A HA 0.881 nan 4.320 nan 0.000 0.304 311 A C -2.621 174.994 177.584 0.052 0.000 1.064 311 A CA -1.412 50.587 52.037 -0.062 0.000 0.727 311 A CB 2.918 21.812 19.000 -0.177 0.000 1.284 311 A HN 0.382 8.539 8.150 0.012 0.000 0.415 312 E N 1.337 121.615 120.200 0.131 0.000 2.293 312 E HA 0.918 nan 4.350 nan 0.000 0.270 312 E C -2.162 174.592 176.600 0.258 0.000 0.879 312 E CA -1.752 54.751 56.400 0.172 0.000 0.756 312 E CB 4.353 34.200 29.700 0.245 0.000 1.208 312 E HN 0.163 8.612 8.360 0.148 0.000 0.428 313 I N 3.509 124.130 120.570 0.085 0.000 2.509 313 I HA 0.706 nan 4.170 nan 0.000 0.293 313 I C -1.615 174.357 176.117 -0.241 0.000 1.020 313 I CA -1.147 60.210 61.300 0.095 0.000 1.088 313 I CB 2.737 40.802 38.000 0.107 0.000 1.267 313 I HN 0.574 8.779 8.210 -0.008 0.000 0.430 314 R N 3.160 123.429 120.500 -0.384 0.000 2.739 314 R HA 0.431 nan 4.340 nan 0.000 0.271 314 R C -1.781 174.413 176.300 -0.176 0.000 1.010 314 R CA -2.665 53.076 56.100 -0.598 0.000 0.897 314 R CB 4.073 33.566 30.300 -1.345 0.000 1.236 314 R HN 0.257 8.555 8.270 0.048 0.000 0.466 315 L N 1.079 122.247 121.223 -0.093 0.000 2.461 315 L HA 0.083 nan 4.340 nan 0.000 0.272 315 L C 0.011 176.952 176.870 0.118 0.000 1.197 315 L CA 0.279 55.145 54.840 0.044 0.000 0.836 315 L CB 0.345 42.405 42.059 0.002 0.000 1.105 315 L HN 0.358 8.494 8.230 -0.156 0.000 0.477 316 M N 0.053 119.734 119.600 0.136 0.000 2.239 316 M HA -0.219 nan 4.480 nan 0.000 0.348 316 M C -0.266 176.049 176.300 0.025 0.000 1.239 316 M CA 1.319 56.651 55.300 0.054 0.000 1.114 316 M CB 0.467 33.039 32.600 -0.048 0.000 1.641 316 M HN 0.016 8.387 8.290 0.136 0.000 0.453 317 c N 4.946 123.548 118.600 0.003 0.000 2.594 317 c HA 0.156 nan 4.570 nan 0.000 0.265 317 c C 0.476 174.556 174.090 -0.017 0.000 1.351 317 c CA -0.494 55.842 56.329 0.011 0.000 1.744 317 c CB -0.623 41.894 42.510 0.013 0.000 1.890 317 c HN 0.389 8.611 8.230 -0.013 0.000 0.551 318 T N 0.998 115.495 114.554 -0.096 0.000 2.933 318 T HA -0.153 nan 4.350 nan 0.000 0.306 318 T C 1.044 175.611 174.700 -0.222 0.000 1.045 318 T CA 1.696 63.695 62.100 -0.168 0.000 1.143 318 T CB 0.640 69.348 68.868 -0.265 0.000 1.003 318 T HN -0.234 7.930 8.240 -0.127 0.000 0.540 319 E N 4.874 124.903 120.200 -0.286 0.000 2.472 319 E HA -0.126 nan 4.350 nan 0.000 0.200 319 E C 0.802 176.846 176.600 -0.928 0.000 1.046 319 E CA 1.455 57.535 56.400 -0.532 0.000 0.871 319 E CB 0.113 29.635 29.700 -0.297 0.000 0.806 319 E HN -0.042 8.191 8.360 -0.211 0.000 0.533 320 T N 3.248 117.423 114.554 -0.632 0.000 3.688 320 T HA 0.004 nan 4.350 nan 0.000 0.307 320 T C -0.627 173.738 174.700 -0.558 0.000 1.382 320 T CA 0.165 61.898 62.100 -0.612 0.000 1.136 320 T CB -1.440 67.088 68.868 -0.567 0.000 1.207 320 T HN -0.734 7.192 8.240 -0.460 0.038 0.854 321 Y N 3.796 123.972 120.300 -0.206 0.000 2.620 321 Y HA -0.187 nan 4.550 nan 0.000 0.330 321 Y C 0.996 176.779 175.900 -0.195 0.000 1.186 321 Y CA -1.331 56.663 58.100 -0.176 0.000 1.467 321 Y CB -0.185 38.205 38.460 -0.117 0.000 1.262 321 Y HN -0.438 7.306 8.280 -1.085 -0.115 0.550 322 L N 2.284 123.477 121.223 -0.051 0.000 2.585 322 L HA 0.022 nan 4.340 nan 0.000 0.226 322 L C 0.019 176.873 176.870 -0.026 0.000 1.113 322 L CA 0.226 55.011 54.840 -0.092 0.000 0.876 322 L CB 0.229 42.207 42.059 -0.135 0.000 1.072 322 L HN 0.248 8.463 8.230 -0.025 0.000 0.468 323 D N -0.183 120.214 120.400 -0.004 0.000 2.383 323 D HA 0.009 nan 4.640 nan 0.000 0.248 323 D C -1.660 174.632 176.300 -0.013 0.000 1.170 323 D CA 0.245 54.238 54.000 -0.012 0.000 0.977 323 D CB 2.453 43.239 40.800 -0.025 0.000 1.120 323 D HN -0.761 7.619 8.370 0.017 0.000 0.481 324 T N 1.373 115.911 114.554 -0.026 0.000 2.937 324 T HA 0.485 nan 4.350 nan 0.000 0.297 324 T C -2.346 172.323 174.700 -0.053 0.000 0.991 324 T CA -2.790 59.289 62.100 -0.036 0.000 0.990 324 T CB 2.201 71.042 68.868 -0.044 0.000 0.991 324 T HN 0.173 8.395 8.240 -0.030 0.000 0.440 325 P HA 0.527 nan 4.420 nan 0.000 0.276 325 P C -1.464 175.813 177.300 -0.038 0.000 1.261 325 P CA -0.672 62.401 63.100 -0.045 0.000 0.800 325 P CB 1.097 32.767 31.700 -0.049 0.000 1.066 326 R N -4.290 116.197 120.500 -0.022 0.000 2.692 326 R HA 0.485 nan 4.340 nan 0.000 0.269 326 R C -2.339 173.964 176.300 0.005 0.000 1.030 326 R CA -2.346 53.747 56.100 -0.011 0.000 0.882 326 R CB 0.580 30.909 30.300 0.049 0.000 1.250 326 R HN 0.253 8.514 8.270 -0.016 0.000 0.465 327 P HA 0.007 nan 4.420 nan 0.000 0.279 327 P C -1.443 175.934 177.300 0.128 0.000 1.282 327 P CA -0.737 62.381 63.100 0.030 0.000 0.788 327 P CB 0.449 32.132 31.700 -0.027 0.000 1.139 328 D N -1.738 118.722 120.400 0.100 0.000 2.472 328 D HA -0.149 nan 4.640 nan 0.000 0.237 328 D C 0.228 176.620 176.300 0.155 0.000 1.141 328 D CA 0.987 55.044 54.000 0.095 0.000 0.875 328 D CB 0.683 41.514 40.800 0.053 0.000 1.192 328 D HN 0.105 8.512 8.370 0.063 0.000 0.450 329 D N 1.358 121.768 120.400 0.017 0.000 2.533 329 D HA -0.337 nan 4.640 nan 0.000 0.236 329 D C 0.987 177.224 176.300 -0.104 0.000 1.137 329 D CA 2.067 55.950 54.000 -0.195 0.000 0.867 329 D CB -0.090 40.567 40.800 -0.239 0.000 1.170 329 D HN -0.067 8.302 8.370 -0.002 0.000 0.474 330 G N 4.929 113.610 108.800 -0.197 0.000 2.184 330 G HA2 -0.420 nan 3.960 nan 0.000 0.264 330 G HA3 -0.420 nan 3.960 nan 0.000 0.264 330 G C 0.418 175.400 174.900 0.136 0.000 0.975 330 G CA 0.829 45.923 45.100 -0.010 0.000 0.642 330 G HN 0.241 8.080 8.290 -0.752 0.000 0.536 331 S N -0.553 115.278 115.700 0.220 0.000 2.522 331 S HA -0.127 nan 4.470 nan 0.000 0.227 331 S C 0.778 175.430 174.600 0.087 0.000 0.986 331 S CA 1.606 59.880 58.200 0.124 0.000 0.929 331 S CB 0.701 63.959 63.200 0.096 0.000 0.769 331 S HN -0.230 8.212 8.310 0.330 0.065 0.529 332 I N 4.305 124.950 120.570 0.126 0.000 2.308 332 I HA -0.077 nan 4.170 nan 0.000 0.293 332 I C -0.552 175.584 176.117 0.032 0.000 1.078 332 I CA -0.152 61.144 61.300 -0.005 0.000 1.292 332 I CB -0.514 37.377 38.000 -0.182 0.000 1.423 332 I HN -0.518 7.850 8.210 0.341 0.047 0.493 333 T N 8.874 123.432 114.554 0.006 0.000 2.860 333 T HA 0.041 nan 4.350 nan 0.000 0.299 333 T C -0.202 174.494 174.700 -0.006 0.000 1.045 333 T CA 1.192 63.294 62.100 0.004 0.000 1.071 333 T CB 0.623 69.489 68.868 -0.003 0.000 0.985 333 T HN 0.111 8.346 8.240 -0.008 0.000 0.537 334 G N 1.992 110.789 108.800 -0.004 0.000 2.631 334 G HA2 -0.100 nan 3.960 nan 0.000 0.504 334 G HA3 -0.100 nan 3.960 nan 0.000 0.504 334 G C -2.833 172.062 174.900 -0.008 0.000 1.306 334 G CA -1.099 43.994 45.100 -0.011 0.000 0.897 334 G HN -0.184 8.106 8.290 0.000 0.000 0.520 335 P HA 0.198 nan 4.420 nan 0.000 0.271 335 P C 0.727 178.019 177.300 -0.012 0.000 1.244 335 P CA -0.945 62.148 63.100 -0.013 0.000 0.793 335 P CB 0.752 32.440 31.700 -0.020 0.000 0.984 336 c N 0.046 118.641 118.600 -0.008 0.000 2.396 336 c HA -0.270 nan 4.570 nan 0.000 0.277 336 c C 2.410 176.488 174.090 -0.020 0.000 1.231 336 c CA 2.665 58.992 56.329 -0.003 0.000 1.775 336 c CB -1.186 41.327 42.510 0.004 0.000 2.036 336 c HN 0.416 8.642 8.230 -0.006 0.000 0.484 337 E N -2.100 118.076 120.200 -0.041 0.000 2.482 337 E HA -0.207 nan 4.350 nan 0.000 0.196 337 E C -0.033 176.533 176.600 -0.056 0.000 1.047 337 E CA 0.896 57.260 56.400 -0.059 0.000 0.869 337 E CB -0.900 28.754 29.700 -0.077 0.000 0.836 337 E HN 0.290 8.602 8.360 -0.039 0.024 0.520 338 S N 2.141 117.812 115.700 -0.049 0.000 2.537 338 S HA -0.097 nan 4.470 nan 0.000 0.286 338 S C 0.595 175.152 174.600 -0.072 0.000 1.299 338 S CA 0.845 59.011 58.200 -0.057 0.000 1.067 338 S CB 0.687 63.858 63.200 -0.049 0.000 0.864 338 S HN -0.257 7.862 8.310 -0.038 0.169 0.494 339 N N 5.793 124.449 118.700 -0.073 0.000 2.142 339 N HA -0.181 nan 4.740 nan 0.000 0.186 339 N C 1.081 176.524 175.510 -0.112 0.000 1.023 339 N CA 1.330 54.337 53.050 -0.073 0.000 0.852 339 N CB 0.069 38.531 38.487 -0.041 0.000 0.998 339 N HN 0.549 8.887 8.380 -0.069 0.000 0.424 340 G N -2.267 106.468 108.800 -0.109 0.000 2.796 340 G HA2 -0.395 nan 3.960 nan 0.000 0.226 340 G HA3 -0.395 nan 3.960 nan 0.000 0.226 340 G C -1.672 173.159 174.900 -0.114 0.000 1.381 340 G CA -0.506 44.510 45.100 -0.141 0.000 0.867 340 G HN -0.468 7.771 8.290 -0.084 0.000 0.552 341 D N -0.781 119.547 120.400 -0.120 0.000 2.388 341 D HA 0.036 nan 4.640 nan 0.000 0.254 341 D C 0.021 176.262 176.300 -0.098 0.000 1.111 341 D CA -1.009 52.939 54.000 -0.086 0.000 0.993 341 D CB 1.167 41.926 40.800 -0.069 0.000 1.118 341 D HN 0.058 8.341 8.370 -0.145 0.000 0.502 342 K N -1.976 118.381 120.400 -0.071 0.000 3.035 342 K HA -0.267 nan 4.320 nan 0.000 0.262 342 K C -0.270 176.280 176.600 -0.084 0.000 1.024 342 K CA 0.761 57.006 56.287 -0.070 0.000 0.748 342 K CB -1.726 30.737 32.500 -0.063 0.000 1.247 342 K HN 0.383 8.598 8.250 -0.057 0.000 0.482 343 G N -2.083 106.667 108.800 -0.083 0.000 2.511 343 G HA2 -0.174 nan 3.960 nan 0.000 0.217 343 G HA3 -0.174 nan 3.960 nan 0.000 0.217 343 G C -0.407 174.422 174.900 -0.118 0.000 1.133 343 G CA 0.030 45.075 45.100 -0.092 0.000 0.792 343 G HN 0.330 8.559 8.290 -0.069 0.019 0.539 344 R N -0.078 120.355 120.500 -0.110 0.000 2.543 344 R HA -0.157 nan 4.340 nan 0.000 0.277 344 R C -0.205 176.027 176.300 -0.112 0.000 1.074 344 R CA 0.958 56.979 56.100 -0.133 0.000 1.076 344 R CB 0.323 30.561 30.300 -0.103 0.000 0.993 344 R HN -0.547 7.671 8.270 -0.086 0.000 0.459 345 G N 2.653 111.380 108.800 -0.121 0.000 2.712 345 G HA2 -0.291 nan 3.960 nan 0.000 0.683 345 G HA3 -0.291 nan 3.960 nan 0.000 0.683 345 G C -2.395 172.452 174.900 -0.087 0.000 1.320 345 G CA -0.721 44.327 45.100 -0.087 0.000 0.847 345 G HN 0.408 8.608 8.290 -0.150 0.000 0.553 346 G N -3.667 105.099 108.800 -0.056 0.000 2.349 346 G HA2 0.413 nan 3.960 nan 0.000 0.294 346 G HA3 0.413 nan 3.960 nan 0.000 0.294 346 G C -3.051 171.838 174.900 -0.018 0.000 1.380 346 G CA -0.155 44.918 45.100 -0.045 0.000 0.811 346 G HN -0.340 7.924 8.290 -0.044 0.000 0.519 347 I N -2.455 118.095 120.570 -0.033 0.000 2.841 347 I HA 0.324 nan 4.170 nan 0.000 0.298 347 I C -2.461 173.551 176.117 -0.175 0.000 1.304 347 I CA -1.839 59.435 61.300 -0.043 0.000 1.019 347 I CB 4.243 42.248 38.000 0.009 0.000 1.282 347 I HN 0.607 9.082 8.210 -0.042 -0.290 0.432 348 K N 6.222 126.302 120.400 -0.532 0.000 2.350 348 K HA 0.021 nan 4.320 nan 0.000 0.279 348 K C -1.208 175.312 176.600 -0.132 0.000 1.027 348 K CA 0.596 56.614 56.287 -0.448 0.000 0.969 348 K CB 1.250 33.239 32.500 -0.853 0.000 0.954 348 K HN 0.337 7.967 8.250 -1.033 0.000 0.474 349 G N 2.695 111.495 108.800 -0.000 0.000 2.452 349 G HA2 0.366 nan 3.960 nan 0.000 0.324 349 G HA3 0.366 nan 3.960 nan 0.000 0.324 349 G C -1.458 173.551 174.900 0.181 0.000 1.214 349 G CA -1.722 43.436 45.100 0.097 0.000 0.947 349 G HN 0.017 8.306 8.290 -0.002 0.000 0.478 350 G N 1.900 110.815 108.800 0.192 0.000 2.441 350 G HA2 -0.008 nan 3.960 nan 0.000 0.243 350 G HA3 -0.008 nan 3.960 nan 0.000 0.243 350 G C -2.420 172.661 174.900 0.302 0.000 1.281 350 G CA -0.363 44.859 45.100 0.205 0.000 0.854 350 G HN -0.112 8.274 8.290 0.160 0.000 0.560 351 F N 3.407 123.386 119.950 0.048 0.000 2.639 351 F HA 0.466 nan 4.527 nan 0.000 0.320 351 F C -2.622 173.116 175.800 -0.103 0.000 1.128 351 F CA -1.170 56.778 58.000 -0.087 0.000 1.037 351 F CB 2.653 41.635 39.000 -0.030 0.000 1.288 351 F HN -0.237 8.207 8.300 0.241 0.000 0.463 352 V N 4.972 124.541 119.914 -0.575 0.000 3.120 352 V HA 0.450 nan 4.120 nan 0.000 0.303 352 V C -2.578 173.163 176.094 -0.588 0.000 1.238 352 V CA -2.164 59.798 62.300 -0.563 0.000 1.008 352 V CB 4.739 36.476 31.823 -0.143 0.000 1.064 352 V HN 0.768 8.708 8.190 -0.417 0.000 0.434 353 H N 4.609 123.508 119.070 -0.285 0.000 2.472 353 H HA 0.633 nan 4.556 nan 0.000 0.335 353 H C -1.373 173.999 175.328 0.074 0.000 1.136 353 H CA -1.140 54.848 56.048 -0.100 0.000 1.264 353 H CB 1.728 31.436 29.762 -0.091 0.000 1.486 353 H HN 0.404 8.602 8.280 -0.137 0.000 0.517 354 Q N 3.133 123.111 119.800 0.297 0.000 2.381 354 Q HA 0.244 nan 4.340 nan 0.000 0.263 354 Q C -1.183 174.960 176.000 0.237 0.000 1.030 354 Q CA -1.585 54.390 55.803 0.287 0.000 0.772 354 Q CB 1.664 30.691 28.738 0.482 0.000 1.232 354 Q HN 0.918 9.246 8.270 0.274 0.106 0.476 355 R N 7.229 127.830 120.500 0.169 0.000 2.202 355 R HA 0.555 nan 4.340 nan 0.000 0.334 355 R C -0.954 175.414 176.300 0.113 0.000 1.036 355 R CA -0.385 55.791 56.100 0.127 0.000 0.878 355 R CB 1.203 31.550 30.300 0.079 0.000 1.067 355 R HN 0.859 9.215 8.270 0.143 0.000 0.457 356 M N 4.603 124.275 119.600 0.119 0.000 2.811 356 M HA 0.256 nan 4.480 nan 0.000 0.303 356 M C 0.725 177.062 176.300 0.063 0.000 1.227 356 M CA -0.588 54.767 55.300 0.093 0.000 0.874 356 M CB 2.200 34.866 32.600 0.110 0.000 1.681 356 M HN 0.034 8.401 8.290 0.130 0.000 0.500 357 A N 1.137 123.983 122.820 0.043 0.000 1.877 357 A HA -0.035 nan 4.320 nan 0.000 0.216 357 A C 0.400 178.001 177.584 0.028 0.000 1.186 357 A CA 2.394 54.447 52.037 0.027 0.000 0.620 357 A CB -0.387 18.623 19.000 0.017 0.000 0.822 357 A HN 0.474 8.649 8.150 0.042 0.000 0.443 358 S N -4.116 111.602 115.700 0.031 0.000 2.730 358 S HA 0.064 nan 4.470 nan 0.000 0.244 358 S C -1.036 173.590 174.600 0.043 0.000 1.022 358 S CA 0.041 58.258 58.200 0.029 0.000 1.014 358 S CB 0.602 63.812 63.200 0.016 0.000 0.963 358 S HN -0.071 8.259 8.310 0.033 0.000 0.540 359 K N 1.692 122.135 120.400 0.071 0.000 2.527 359 K HA 0.351 nan 4.320 nan 0.000 0.260 359 K C -2.697 174.001 176.600 0.164 0.000 0.937 359 K CA -0.098 56.256 56.287 0.111 0.000 0.826 359 K CB 2.934 35.490 32.500 0.092 0.000 1.359 359 K HN -0.950 7.345 8.250 0.075 0.000 0.434 360 I N 2.893 123.579 120.570 0.194 0.000 2.436 360 I HA 0.611 nan 4.170 nan 0.000 0.289 360 I C -2.142 174.077 176.117 0.171 0.000 1.010 360 I CA -2.353 59.062 61.300 0.192 0.000 1.098 360 I CB 3.774 41.863 38.000 0.148 0.000 1.266 360 I HN 0.420 9.062 8.210 0.182 -0.323 0.434 361 G N 7.119 115.968 108.800 0.081 0.000 2.343 361 G HA2 0.650 nan 3.960 nan 0.000 0.319 361 G HA3 0.650 nan 3.960 nan 0.000 0.319 361 G C -2.265 172.478 174.900 -0.262 0.000 1.126 361 G CA -1.233 43.578 45.100 -0.482 0.000 0.889 361 G HN 0.863 9.272 8.290 0.199 0.000 0.457 362 R N 4.814 125.067 120.500 -0.412 0.000 2.310 362 R HA 0.549 nan 4.340 nan 0.000 0.324 362 R C -1.207 174.783 176.300 -0.517 0.000 0.955 362 R CA -1.290 54.625 56.100 -0.309 0.000 0.830 362 R CB 2.108 32.391 30.300 -0.029 0.000 1.154 362 R HN 0.837 8.788 8.270 -0.532 0.000 0.458 363 W N 5.258 126.272 121.300 -0.477 0.000 2.469 363 W HA 0.442 nan 4.660 nan 0.000 0.320 363 W C -1.062 175.216 176.519 -0.402 0.000 1.086 363 W CA -0.699 56.422 57.345 -0.372 0.000 1.211 363 W CB 2.111 31.356 29.460 -0.358 0.000 1.298 363 W HN 0.804 8.876 8.180 -0.179 0.000 0.525 364 Y N 0.969 121.387 120.300 0.196 0.000 2.553 364 Y HA 0.407 nan 4.550 nan 0.000 0.347 364 Y C -1.611 174.364 175.900 0.124 0.000 1.019 364 Y CA -1.612 56.593 58.100 0.176 0.000 1.032 364 Y CB 4.327 42.853 38.460 0.109 0.000 1.284 364 Y HN 0.874 9.342 8.280 0.313 0.000 0.466 365 S N 0.482 116.343 115.700 0.269 0.000 2.542 365 S HA 0.920 nan 4.470 nan 0.000 0.293 365 S C -1.334 173.358 174.600 0.154 0.000 1.089 365 S CA -1.356 56.945 58.200 0.169 0.000 0.961 365 S CB 2.644 65.886 63.200 0.069 0.000 1.062 365 S HN 0.165 8.646 8.310 0.285 0.000 0.483 366 R N -1.208 119.379 120.500 0.145 0.000 2.739 366 R HA 0.600 nan 4.340 nan 0.000 0.271 366 R C -0.517 175.840 176.300 0.095 0.000 1.010 366 R CA -1.830 54.325 56.100 0.090 0.000 0.897 366 R CB 3.529 33.842 30.300 0.021 0.000 1.236 366 R HN 0.542 8.920 8.270 0.180 0.000 0.466 367 T N -3.717 110.875 114.554 0.065 0.000 2.903 367 T HA 0.128 nan 4.350 nan 0.000 0.314 367 T C 0.914 175.657 174.700 0.072 0.000 1.078 367 T CA 0.095 62.231 62.100 0.059 0.000 1.114 367 T CB 0.759 69.642 68.868 0.025 0.000 0.987 367 T HN 0.457 8.725 8.240 0.047 0.000 0.548 368 M N 2.953 122.595 119.600 0.070 0.000 2.156 368 M HA -0.234 nan 4.480 nan 0.000 0.264 368 M C 0.250 176.584 176.300 0.056 0.000 1.067 368 M CA 2.925 58.272 55.300 0.078 0.000 1.131 368 M CB 0.675 33.316 32.600 0.068 0.000 1.368 368 M HN 0.009 8.223 8.290 0.062 0.113 0.416 369 S N -1.907 113.815 115.700 0.036 0.000 2.549 369 S HA -0.080 nan 4.470 nan 0.000 0.279 369 S C 0.837 175.444 174.600 0.012 0.000 1.321 369 S CA -0.344 57.868 58.200 0.020 0.000 1.054 369 S CB 0.682 63.886 63.200 0.007 0.000 0.899 369 S HN -0.452 7.879 8.310 0.035 0.000 0.497 370 K N 5.699 126.106 120.400 0.011 0.000 2.366 370 K HA -0.122 nan 4.320 nan 0.000 0.198 370 K C 0.737 177.331 176.600 -0.009 0.000 1.044 370 K CA 2.648 58.940 56.287 0.008 0.000 0.973 370 K CB 0.094 32.603 32.500 0.015 0.000 0.767 370 K HN 0.653 8.911 8.250 0.013 0.000 0.475 371 T N -9.503 105.040 114.554 -0.018 0.000 2.958 371 T HA 0.276 nan 4.350 nan 0.000 0.256 371 T C -0.008 174.659 174.700 -0.054 0.000 0.983 371 T CA -0.078 62.003 62.100 -0.033 0.000 0.924 371 T CB 0.769 69.622 68.868 -0.025 0.000 1.136 371 T HN -0.520 7.688 8.240 -0.012 0.025 0.506 372 E N 1.387 121.556 120.200 -0.053 0.000 2.320 372 E HA 0.285 nan 4.350 nan 0.000 0.264 372 E C -1.438 175.093 176.600 -0.115 0.000 0.923 372 E CA -2.208 54.142 56.400 -0.083 0.000 0.796 372 E CB 2.954 32.628 29.700 -0.044 0.000 1.262 372 E HN -0.515 7.824 8.360 -0.034 0.000 0.428 373 R N 1.268 121.637 120.500 -0.218 0.000 3.701 373 R HA 0.032 nan 4.340 nan 0.000 0.210 373 R C -1.279 174.983 176.300 -0.063 0.000 1.598 373 R CA -0.191 55.726 56.100 -0.305 0.000 1.427 373 R CB -0.562 29.137 30.300 -1.002 0.000 1.339 373 R HN 0.646 8.768 8.270 -0.246 0.000 0.720 374 M N 0.969 120.574 119.600 0.007 0.000 2.326 374 M HA 0.396 nan 4.480 nan 0.000 0.292 374 M C -0.959 175.378 176.300 0.062 0.000 1.081 374 M CA -1.959 53.380 55.300 0.065 0.000 0.919 374 M CB 3.512 36.142 32.600 0.049 0.000 1.634 374 M HN -0.033 8.208 8.290 -0.016 0.040 0.451 375 G N 4.622 113.469 108.800 0.078 0.000 2.860 375 G HA2 -0.346 nan 3.960 nan 0.000 0.553 375 G HA3 -0.346 nan 3.960 nan 0.000 0.553 375 G C -2.096 172.843 174.900 0.064 0.000 1.439 375 G CA -0.059 45.080 45.100 0.064 0.000 0.879 375 G HN 0.465 8.812 8.290 0.096 0.000 0.545 376 M N 1.875 121.500 119.600 0.041 0.000 2.307 376 M HA 0.356 nan 4.480 nan 0.000 0.279 376 M C -2.810 173.475 176.300 -0.024 0.000 1.080 376 M CA -0.291 55.024 55.300 0.025 0.000 0.964 376 M CB 3.471 36.078 32.600 0.012 0.000 1.825 376 M HN 0.021 8.328 8.290 0.029 0.000 0.489 377 E N 3.589 123.791 120.200 0.004 0.000 2.336 377 E HA 0.910 nan 4.350 nan 0.000 0.267 377 E C -2.795 173.737 176.600 -0.114 0.000 0.906 377 E CA -2.343 53.992 56.400 -0.109 0.000 0.781 377 E CB 4.267 33.919 29.700 -0.081 0.000 1.261 377 E HN 0.862 9.267 8.360 0.074 0.000 0.436 378 L N 0.332 121.344 121.223 -0.350 0.000 2.322 378 L HA 0.677 nan 4.340 nan 0.000 0.279 378 L C -2.045 174.555 176.870 -0.450 0.000 1.036 378 L CA -1.086 53.600 54.840 -0.257 0.000 0.807 378 L CB 2.676 44.567 42.059 -0.280 0.000 1.226 378 L HN 0.317 8.245 8.230 -0.504 0.000 0.433 379 Y N 3.423 123.684 120.300 -0.065 0.000 2.553 379 Y HA 0.597 nan 4.550 nan 0.000 0.347 379 Y C -2.174 173.667 175.900 -0.099 0.000 1.019 379 Y CA -1.024 57.035 58.100 -0.069 0.000 1.032 379 Y CB 4.387 42.825 38.460 -0.035 0.000 1.284 379 Y HN 0.660 9.061 8.280 0.201 0.000 0.466 380 V N 0.327 120.165 119.914 -0.128 0.000 3.049 380 V HA 0.793 nan 4.120 nan 0.000 0.309 380 V C -2.744 173.172 176.094 -0.296 0.000 1.148 380 V CA -2.004 59.989 62.300 -0.512 0.000 0.990 380 V CB 4.654 35.648 31.823 -1.382 0.000 1.039 380 V HN 0.693 8.847 8.190 -0.059 0.000 0.430 381 R N 4.056 124.327 120.500 -0.381 0.000 2.548 381 R HA 0.434 nan 4.340 nan 0.000 0.280 381 R C -2.600 173.476 176.300 -0.374 0.000 1.061 381 R CA -0.873 55.092 56.100 -0.225 0.000 0.915 381 R CB 4.773 35.036 30.300 -0.060 0.000 1.210 381 R HN 0.188 8.162 8.270 -0.493 0.000 0.442 382 Y N 5.139 125.383 120.300 -0.093 0.000 2.320 382 Y HA 0.336 nan 4.550 nan 0.000 0.334 382 Y C -0.361 175.525 175.900 -0.024 0.000 1.055 382 Y CA 0.716 58.783 58.100 -0.055 0.000 1.143 382 Y CB 0.638 39.069 38.460 -0.048 0.000 1.193 382 Y HN 0.218 8.578 8.280 0.133 0.000 0.477 383 D N 1.034 121.507 120.400 0.121 0.000 3.582 383 D HA -0.398 nan 4.640 nan 0.000 0.258 383 D C 0.242 176.555 176.300 0.022 0.000 1.930 383 D CA 1.374 55.417 54.000 0.072 0.000 1.144 383 D CB -0.225 40.621 40.800 0.077 0.000 0.858 383 D HN 0.589 9.035 8.370 0.126 0.000 1.045 384 G N -1.825 106.979 108.800 0.006 0.000 2.782 384 G HA2 -0.399 nan 3.960 nan 0.000 0.228 384 G HA3 -0.399 nan 3.960 nan 0.000 0.228 384 G C -2.126 172.739 174.900 -0.059 0.000 1.372 384 G CA -0.439 44.647 45.100 -0.023 0.000 0.862 384 G HN 0.113 8.412 8.290 0.016 0.000 0.547 385 D N -0.089 120.263 120.400 -0.080 0.000 2.471 385 D HA 0.538 nan 4.640 nan 0.000 0.245 385 D C -1.093 175.098 176.300 -0.181 0.000 1.116 385 D CA -3.488 50.428 54.000 -0.139 0.000 0.853 385 D CB 1.091 41.847 40.800 -0.073 0.000 1.123 385 D HN -0.594 8.153 8.370 -0.061 -0.413 0.540 386 P HA -0.185 nan 4.420 nan 0.000 0.217 386 P C 0.943 178.134 177.300 -0.181 0.000 1.148 386 P CA 2.249 65.072 63.100 -0.462 0.000 0.834 386 P CB 0.086 31.092 31.700 -1.156 0.000 0.783 387 W N -5.418 115.746 121.300 -0.226 0.000 2.467 387 W HA -0.021 nan 4.660 nan 0.000 0.275 387 W C 0.566 177.037 176.519 -0.080 0.000 1.239 387 W CA 1.555 58.834 57.345 -0.111 0.000 1.266 387 W CB -0.476 28.960 29.460 -0.039 0.000 1.112 387 W HN 0.132 8.536 8.180 -0.167 -0.324 0.576 388 T N -8.366 106.266 114.554 0.131 0.000 2.958 388 T HA 0.171 nan 4.350 nan 0.000 0.256 388 T C -0.129 174.580 174.700 0.015 0.000 0.983 388 T CA -0.537 61.604 62.100 0.068 0.000 0.924 388 T CB 1.851 70.763 68.868 0.073 0.000 1.136 388 T HN -0.699 7.470 8.240 0.084 0.122 0.506 389 D N 5.353 125.742 120.400 -0.017 0.000 2.338 389 D HA 0.140 nan 4.640 nan 0.000 0.255 389 D C -0.227 176.045 176.300 -0.048 0.000 1.237 389 D CA 0.579 54.557 54.000 -0.037 0.000 0.883 389 D CB -0.143 40.621 40.800 -0.059 0.000 1.087 389 D HN -0.087 8.266 8.370 -0.029 0.000 0.485 390 S N 1.815 117.494 115.700 -0.036 0.000 2.527 390 S HA -0.157 nan 4.470 nan 0.000 0.222 390 S C 0.357 174.914 174.600 -0.071 0.000 0.985 390 S CA 1.075 59.248 58.200 -0.044 0.000 0.921 390 S CB 0.544 63.730 63.200 -0.024 0.000 0.772 390 S HN 0.029 8.324 8.310 -0.024 0.000 0.529 391 D N 2.551 122.912 120.400 -0.065 0.000 2.506 391 D HA -0.169 nan 4.640 nan 0.000 0.234 391 D C -0.258 175.981 176.300 -0.101 0.000 1.143 391 D CA 0.724 54.683 54.000 -0.068 0.000 0.871 391 D CB 0.372 41.143 40.800 -0.048 0.000 1.190 391 D HN -0.064 8.233 8.370 -0.052 0.042 0.459 392 A N 1.742 124.505 122.820 -0.095 0.000 2.483 392 A HA 0.087 nan 4.320 nan 0.000 0.238 392 A C -0.461 177.079 177.584 -0.072 0.000 1.070 392 A CA 0.210 52.179 52.037 -0.113 0.000 0.770 392 A CB 0.762 19.719 19.000 -0.071 0.000 1.008 392 A HN 0.220 8.325 8.150 -0.075 0.000 0.497 393 L N -0.445 120.724 121.223 -0.089 0.000 2.453 393 L HA 0.161 nan 4.340 nan 0.000 0.261 393 L C -0.326 176.647 176.870 0.172 0.000 1.179 393 L CA -0.609 54.234 54.840 0.005 0.000 0.813 393 L CB 0.507 42.535 42.059 -0.052 0.000 1.110 393 L HN -0.073 8.053 8.230 -0.173 0.000 0.466 394 A N -0.010 122.889 122.820 0.132 0.000 2.309 394 A HA 0.158 nan 4.320 nan 0.000 0.290 394 A C -1.137 176.482 177.584 0.060 0.000 1.206 394 A CA -1.035 51.064 52.037 0.104 0.000 0.850 394 A CB 0.889 19.909 19.000 0.032 0.000 1.118 394 A HN 0.516 8.702 8.150 0.061 0.000 0.523 395 H N 5.504 124.505 119.070 -0.114 0.000 3.070 395 H HA -0.183 nan 4.556 nan 0.000 0.313 395 H C -0.651 174.508 175.328 -0.281 0.000 0.997 395 H CA 0.755 56.508 56.048 -0.491 0.000 1.438 395 H CB 0.315 29.884 29.762 -0.323 0.000 1.455 395 H HN 0.543 8.929 8.280 0.177 0.000 0.575 396 S N 7.501 122.870 115.700 -0.552 0.000 2.754 396 S HA 0.183 nan 4.470 nan 0.000 0.247 396 S C -1.709 172.779 174.600 -0.186 0.000 1.031 396 S CA -0.503 57.587 58.200 -0.184 0.000 1.014 396 S CB 1.244 64.457 63.200 0.022 0.000 0.918 396 S HN 0.754 8.456 8.310 -0.818 0.118 0.519 397 G N -2.271 106.283 108.800 -0.409 0.000 2.348 397 G HA2 -0.175 nan 3.960 nan 0.000 0.606 397 G HA3 -0.175 nan 3.960 nan 0.000 0.606 397 G C -2.832 171.952 174.900 -0.195 0.000 1.466 397 G CA -0.587 44.443 45.100 -0.116 0.000 0.950 397 G HN -1.022 6.595 8.290 -1.123 0.000 0.657 398 V N 2.336 122.245 119.914 -0.009 0.000 2.364 398 V HA 0.272 nan 4.120 nan 0.000 0.272 398 V C 0.033 176.079 176.094 -0.081 0.000 1.036 398 V CA -0.104 62.186 62.300 -0.017 0.000 0.880 398 V CB -0.633 31.231 31.823 0.069 0.000 0.991 398 V HN 0.504 8.736 8.190 0.069 0.000 0.460 399 M N 6.942 126.414 119.600 -0.212 0.000 2.447 399 M HA 0.098 nan 4.480 nan 0.000 0.266 399 M C -0.414 175.818 176.300 -0.114 0.000 1.120 399 M CA 2.728 57.779 55.300 -0.415 0.000 1.166 399 M CB 1.808 33.941 32.600 -0.778 0.000 1.349 399 M HN 0.337 8.512 8.290 -0.192 0.000 0.463 400 V N -2.979 116.905 119.914 -0.050 0.000 2.623 400 V HA 0.300 nan 4.120 nan 0.000 0.304 400 V C -0.940 175.169 176.094 0.024 0.000 1.054 400 V CA -2.224 60.086 62.300 0.017 0.000 0.882 400 V CB 1.885 33.733 31.823 0.042 0.000 1.002 400 V HN -0.370 7.782 8.190 -0.063 0.000 0.424 401 S N 6.218 121.933 115.700 0.025 0.000 2.589 401 S HA 0.169 nan 4.470 nan 0.000 0.265 401 S C 1.063 175.686 174.600 0.038 0.000 1.342 401 S CA 0.469 58.687 58.200 0.029 0.000 1.005 401 S CB 1.437 64.648 63.200 0.018 0.000 0.909 401 S HN 0.342 8.663 8.310 0.017 0.000 0.555 402 M N 2.839 122.462 119.600 0.039 0.000 2.260 402 M HA -0.288 nan 4.480 nan 0.000 0.261 402 M C 0.982 177.306 176.300 0.042 0.000 1.066 402 M CA 2.633 57.958 55.300 0.041 0.000 1.082 402 M CB -0.026 32.595 32.600 0.035 0.000 1.388 402 M HN 0.621 8.933 8.290 0.038 0.000 0.419 403 K N -2.109 118.313 120.400 0.036 0.000 2.362 403 K HA -0.137 nan 4.320 nan 0.000 0.200 403 K C -0.214 176.412 176.600 0.043 0.000 1.046 403 K CA 1.202 57.508 56.287 0.033 0.000 0.952 403 K CB 0.361 32.874 32.500 0.022 0.000 0.753 403 K HN -0.196 8.008 8.250 0.031 0.065 0.466 404 E N -2.048 118.183 120.200 0.052 0.000 2.244 404 E HA 0.467 nan 4.350 nan 0.000 0.266 404 E C -2.559 174.102 176.600 0.102 0.000 0.914 404 E CA -3.190 53.249 56.400 0.065 0.000 0.794 404 E CB 1.341 31.071 29.700 0.050 0.000 1.210 404 E HN -0.454 7.766 8.360 0.052 0.171 0.414 405 P HA 0.019 nan 4.420 nan 0.000 0.267 405 P C -1.178 176.284 177.300 0.271 0.000 1.205 405 P CA -0.491 62.755 63.100 0.243 0.000 0.765 405 P CB -0.060 31.736 31.700 0.159 0.000 0.828 406 G N 2.651 111.658 108.800 0.345 0.000 2.990 406 G HA2 0.201 nan 3.960 nan 0.000 0.300 406 G HA3 0.201 nan 3.960 nan 0.000 0.300 406 G C -2.019 173.102 174.900 0.367 0.000 1.498 406 G CA -0.412 44.854 45.100 0.277 0.000 1.074 406 G HN -0.066 8.316 8.290 0.351 0.119 0.542 407 W N 3.909 125.281 121.300 0.119 0.000 3.875 407 W HA 0.371 nan 4.660 nan 0.000 0.644 407 W C -0.401 176.322 176.519 0.340 0.000 2.986 407 W CA -0.402 57.056 57.345 0.188 0.000 1.069 407 W CB 1.214 30.735 29.460 0.103 0.000 2.633 407 W HN 0.464 8.956 8.180 0.521 0.000 0.508 408 Y N -1.966 118.590 120.300 0.427 0.000 2.397 408 Y HA -0.083 nan 4.550 nan 0.000 0.335 408 Y C -0.119 175.987 175.900 0.344 0.000 1.213 408 Y CA -0.707 57.599 58.100 0.344 0.000 1.391 408 Y CB 0.315 38.996 38.460 0.369 0.000 1.293 408 Y HN -0.410 8.591 8.280 0.740 -0.277 0.557 409 S N 0.037 115.977 115.700 0.400 0.000 2.627 409 S HA 0.874 nan 4.470 nan 0.000 0.283 409 S C -1.925 172.881 174.600 0.344 0.000 1.127 409 S CA -1.371 56.991 58.200 0.269 0.000 0.863 409 S CB 3.459 66.734 63.200 0.125 0.000 1.121 409 S HN -0.024 8.461 8.310 0.291 0.000 0.479 410 F N -5.373 114.735 119.950 0.263 0.000 2.668 410 F HA 0.470 nan 4.527 nan 0.000 0.309 410 F C -1.946 174.034 175.800 0.300 0.000 1.117 410 F CA -0.999 57.161 58.000 0.267 0.000 0.951 410 F CB 2.142 41.324 39.000 0.302 0.000 1.323 410 F HN 0.434 8.474 8.300 -0.434 0.000 0.451 411 G N -1.914 107.136 108.800 0.416 0.000 2.434 411 G HA2 0.799 nan 3.960 nan 0.000 0.330 411 G HA3 0.799 nan 3.960 nan 0.000 0.330 411 G C -2.345 172.873 174.900 0.530 0.000 1.155 411 G CA -1.351 43.922 45.100 0.288 0.000 0.917 411 G HN 0.023 8.579 8.290 0.443 0.000 0.493 412 F N -4.488 115.601 119.950 0.230 0.000 2.773 412 F HA 0.477 nan 4.527 nan 0.000 0.314 412 F C -3.248 172.643 175.800 0.152 0.000 1.160 412 F CA -1.713 56.429 58.000 0.238 0.000 0.920 412 F CB 2.094 41.302 39.000 0.346 0.000 1.323 412 F HN 0.080 8.336 8.300 -0.074 0.000 0.457 413 E N -0.897 119.419 120.200 0.193 0.000 2.248 413 E HA 0.683 nan 4.350 nan 0.000 0.267 413 E C -1.338 175.358 176.600 0.160 0.000 0.877 413 E CA -1.552 54.870 56.400 0.036 0.000 0.759 413 E CB 3.567 33.312 29.700 0.075 0.000 1.182 413 E HN 0.044 8.636 8.360 0.387 0.000 0.418 414 I N 3.431 124.042 120.570 0.069 0.000 2.385 414 I HA 0.066 nan 4.170 nan 0.000 0.294 414 I C -0.892 175.260 176.117 0.058 0.000 0.988 414 I CA -0.625 60.745 61.300 0.118 0.000 1.265 414 I CB 1.671 39.727 38.000 0.093 0.000 1.388 414 I HN 0.722 8.898 8.210 -0.057 0.000 0.480 415 K N 6.197 126.634 120.400 0.061 0.000 2.273 415 K HA 0.072 nan 4.320 nan 0.000 0.287 415 K C -1.220 175.391 176.600 0.019 0.000 1.089 415 K CA -0.943 55.365 56.287 0.035 0.000 0.909 415 K CB -0.332 32.188 32.500 0.032 0.000 1.123 415 K HN 0.479 8.776 8.250 0.078 0.000 0.473 416 D N 5.777 126.181 120.400 0.007 0.000 2.447 416 D HA 0.057 nan 4.640 nan 0.000 0.265 416 D C 0.670 176.971 176.300 0.002 0.000 1.250 416 D CA -1.221 52.779 54.000 -0.000 0.000 1.046 416 D CB 2.205 42.998 40.800 -0.011 0.000 1.095 416 D HN 0.053 8.425 8.370 0.003 0.000 0.555 417 K N 0.875 121.275 120.400 -0.000 0.000 2.032 417 K HA -0.226 nan 4.320 nan 0.000 0.209 417 K C 1.669 178.270 176.600 0.002 0.000 1.048 417 K CA 3.543 59.831 56.287 0.001 0.000 0.927 417 K CB 0.010 32.508 32.500 -0.002 0.000 0.712 417 K HN 0.574 8.822 8.250 -0.003 0.000 0.441 418 K N -5.400 115.000 120.400 0.000 0.000 2.438 418 K HA 0.169 nan 4.320 nan 0.000 0.206 418 K C -1.506 175.095 176.600 0.002 0.000 1.081 418 K CA -0.319 55.968 56.287 0.001 0.000 1.053 418 K CB 1.112 33.611 32.500 -0.002 0.000 0.908 418 K HN 0.125 8.373 8.250 -0.002 0.000 0.556 419 c N -4.912 113.689 118.600 0.001 0.000 3.291 419 c HA 0.540 nan 4.570 nan 0.000 0.316 419 c C -1.972 172.118 174.090 0.001 0.000 1.391 419 c CA -3.094 53.236 56.329 0.002 0.000 1.394 419 c CB 3.225 45.734 42.510 -0.002 0.000 1.744 419 c HN -0.607 7.623 8.230 -0.000 0.000 0.461 420 D N -0.516 119.886 120.400 0.003 0.000 2.192 420 D HA 0.552 nan 4.640 nan 0.000 0.246 420 D C -1.043 175.237 176.300 -0.032 0.000 1.042 420 D CA -0.986 53.014 54.000 0.001 0.000 0.847 420 D CB 2.084 42.898 40.800 0.023 0.000 1.186 420 D HN -0.079 8.295 8.370 0.007 0.000 0.461 421 V N 2.930 122.807 119.914 -0.063 0.000 2.333 421 V HA 0.366 nan 4.120 nan 0.000 0.274 421 V C -2.112 173.855 176.094 -0.213 0.000 1.028 421 V CA -3.680 58.534 62.300 -0.142 0.000 0.851 421 V CB 1.172 32.907 31.823 -0.146 0.000 1.000 421 V HN 0.690 8.856 8.190 -0.039 0.000 0.456 422 P HA 0.544 nan 4.420 nan 0.000 0.281 422 P C -1.495 175.503 177.300 -0.505 0.000 1.252 422 P CA -0.822 62.103 63.100 -0.292 0.000 0.778 422 P CB 0.364 31.963 31.700 -0.168 0.000 0.895 423 c N 2.222 120.511 118.600 -0.518 0.000 2.889 423 c HA 0.920 nan 4.570 nan 0.000 0.307 423 c C -0.927 173.001 174.090 -0.269 0.000 1.251 423 c CA -1.324 54.679 56.329 -0.543 0.000 1.593 423 c CB 4.374 46.235 42.510 -1.081 0.000 2.104 423 c HN 0.690 8.610 8.230 -0.518 0.000 0.476 424 I N 0.369 120.953 120.570 0.023 0.000 2.509 424 I HA 0.616 nan 4.170 nan 0.000 0.293 424 I C -1.575 174.531 176.117 -0.019 0.000 1.020 424 I CA -1.270 60.029 61.300 -0.003 0.000 1.088 424 I CB 3.696 41.697 38.000 0.002 0.000 1.267 424 I HN 0.912 9.217 8.210 0.159 0.000 0.430 425 G N 4.814 113.364 108.800 -0.417 0.000 2.420 425 G HA2 0.869 nan 3.960 nan 0.000 0.331 425 G HA3 0.869 nan 3.960 nan 0.000 0.331 425 G C -2.655 171.859 174.900 -0.644 0.000 1.168 425 G CA -1.961 42.777 45.100 -0.603 0.000 0.936 425 G HN 0.736 8.595 8.290 -0.719 0.000 0.479 426 I N 0.833 121.343 120.570 -0.099 0.000 2.447 426 I HA 0.372 nan 4.170 nan 0.000 0.287 426 I C -1.619 174.640 176.117 0.236 0.000 1.023 426 I CA -0.966 60.385 61.300 0.086 0.000 1.083 426 I CB 3.465 41.527 38.000 0.104 0.000 1.245 426 I HN 0.783 9.013 8.210 0.033 0.000 0.434 427 E N 8.021 128.431 120.200 0.349 0.000 2.299 427 E HA 0.153 nan 4.350 nan 0.000 0.272 427 E C -1.441 175.262 176.600 0.172 0.000 1.043 427 E CA -0.114 56.460 56.400 0.291 0.000 0.895 427 E CB 1.444 31.355 29.700 0.351 0.000 1.011 427 E HN 0.785 9.291 8.360 0.415 0.103 0.432 428 M N 7.305 126.915 119.600 0.015 0.000 2.065 428 M HA 0.241 nan 4.480 nan 0.000 0.332 428 M C -1.626 174.422 176.300 -0.420 0.000 0.988 428 M CA -1.170 54.077 55.300 -0.087 0.000 0.944 428 M CB 1.296 33.876 32.600 -0.032 0.000 1.357 428 M HN 0.696 8.987 8.290 0.002 0.000 0.388 429 V N 4.052 123.547 119.914 -0.698 0.000 2.583 429 V HA 0.048 nan 4.120 nan 0.000 0.287 429 V C 0.031 175.613 176.094 -0.855 0.000 1.051 429 V CA -0.504 61.155 62.300 -1.068 0.000 1.010 429 V CB 0.279 30.893 31.823 -2.015 0.000 0.988 429 V HN 0.410 8.184 8.190 -0.692 0.000 0.478 430 H N 7.241 125.992 119.070 -0.532 0.000 2.911 430 H HA 0.072 nan 4.556 nan 0.000 0.273 430 H C -1.333 173.624 175.328 -0.618 0.000 1.157 430 H CA -1.144 54.626 56.048 -0.464 0.000 1.402 430 H CB -0.548 28.964 29.762 -0.415 0.000 1.463 430 H HN 0.759 8.457 8.280 -0.791 0.108 0.475 431 D N 4.218 124.426 120.400 -0.321 0.000 2.414 431 D HA 0.103 nan 4.640 nan 0.000 0.232 431 D C -0.471 175.754 176.300 -0.125 0.000 1.070 431 D CA -0.999 52.901 54.000 -0.167 0.000 0.839 431 D CB 0.797 41.641 40.800 0.073 0.000 1.079 431 D HN -0.171 8.080 8.370 -0.198 0.000 0.521 432 G N 4.638 113.321 108.800 -0.195 0.000 3.690 432 G HA2 0.256 nan 3.960 nan 0.000 0.283 432 G HA3 0.256 nan 3.960 nan 0.000 0.283 432 G C -0.962 173.876 174.900 -0.104 0.000 1.057 432 G CA -1.009 43.979 45.100 -0.186 0.000 0.821 432 G HN 0.309 8.472 8.290 -0.211 0.000 0.526 433 G N 0.371 109.150 108.800 -0.035 0.000 2.828 433 G HA2 -0.358 nan 3.960 nan 0.000 0.463 433 G HA3 -0.358 nan 3.960 nan 0.000 0.463 433 G C -0.715 174.145 174.900 -0.067 0.000 1.394 433 G CA -0.561 44.519 45.100 -0.033 0.000 0.862 433 G HN -0.662 7.843 8.290 0.018 -0.204 0.540 434 K N 1.173 121.536 120.400 -0.062 0.000 2.360 434 K HA -0.276 nan 4.320 nan 0.000 0.201 434 K C 0.437 177.021 176.600 -0.026 0.000 1.046 434 K CA 2.217 58.467 56.287 -0.061 0.000 0.945 434 K CB -0.374 32.097 32.500 -0.048 0.000 0.750 434 K HN 0.419 8.640 8.250 -0.048 0.000 0.464 435 K N -6.036 114.351 120.400 -0.022 0.000 2.418 435 K HA 0.006 nan 4.320 nan 0.000 0.195 435 K C 0.577 177.191 176.600 0.024 0.000 1.035 435 K CA 0.515 56.804 56.287 0.004 0.000 1.003 435 K CB -0.016 32.482 32.500 -0.004 0.000 0.793 435 K HN -0.110 8.046 8.250 -0.036 0.073 0.494 436 T N -0.131 114.405 114.554 -0.030 0.000 2.669 436 T HA 0.255 nan 4.350 nan 0.000 0.283 436 T C -1.456 173.170 174.700 -0.124 0.000 1.019 436 T CA -1.332 60.735 62.100 -0.054 0.000 1.039 436 T CB 1.611 70.342 68.868 -0.228 0.000 1.374 436 T HN -0.477 7.678 8.240 -0.067 0.044 0.523 437 W N -1.216 119.853 121.300 -0.384 0.000 2.126 437 W HA 0.132 nan 4.660 nan 0.000 0.346 437 W C -1.470 174.932 176.519 -0.195 0.000 1.279 437 W CA -1.631 55.435 57.345 -0.466 0.000 1.259 437 W CB 0.689 29.549 29.460 -1.001 0.000 1.133 437 W HN 0.116 7.990 8.180 -0.511 0.000 0.592 438 H N 1.972 121.023 119.070 -0.032 0.000 3.013 438 H HA 0.199 nan 4.556 nan 0.000 0.326 438 H C -2.115 173.229 175.328 0.027 0.000 0.973 438 H CA -0.193 55.771 56.048 -0.139 0.000 1.369 438 H CB 2.092 31.768 29.762 -0.142 0.000 1.598 438 H HN -0.379 8.040 8.280 0.232 0.000 0.518 439 S N 4.761 120.394 115.700 -0.112 0.000 2.973 439 S HA 0.650 nan 4.470 nan 0.000 0.317 439 S C -2.702 171.818 174.600 -0.132 0.000 1.196 439 S CA -2.214 55.991 58.200 0.008 0.000 0.894 439 S CB 2.891 66.168 63.200 0.128 0.000 1.292 439 S HN -0.406 7.735 8.310 -0.282 0.000 0.614 440 A N -2.180 120.660 122.820 0.032 0.000 2.594 440 A HA 0.611 nan 4.320 nan 0.000 0.295 440 A C -2.585 175.026 177.584 0.045 0.000 1.071 440 A CA -0.919 51.020 52.037 -0.163 0.000 0.685 440 A CB 3.215 22.128 19.000 -0.143 0.000 1.285 440 A HN 0.073 8.366 8.150 0.238 0.000 0.405 441 A N -0.067 122.717 122.820 -0.059 0.000 2.281 441 A HA 0.726 nan 4.320 nan 0.000 0.329 441 A C -1.490 176.166 177.584 0.119 0.000 1.122 441 A CA -2.112 49.990 52.037 0.109 0.000 0.850 441 A CB 2.475 21.548 19.000 0.122 0.000 1.207 441 A HN 0.585 8.458 8.150 -0.277 0.110 0.495 442 T N 0.638 115.298 114.554 0.176 0.000 2.840 442 T HA 0.640 nan 4.350 nan 0.000 0.287 442 T C -2.016 172.771 174.700 0.144 0.000 0.991 442 T CA -0.359 61.861 62.100 0.200 0.000 0.964 442 T CB 1.321 70.324 68.868 0.224 0.000 0.954 442 T HN 0.391 8.737 8.240 0.177 0.000 0.438 443 A N 7.044 129.958 122.820 0.156 0.000 2.312 443 A HA 1.143 nan 4.320 nan 0.000 0.328 443 A C -2.388 175.305 177.584 0.181 0.000 1.158 443 A CA -2.438 49.695 52.037 0.160 0.000 0.821 443 A CB 2.243 21.375 19.000 0.221 0.000 1.170 443 A HN 1.016 9.164 8.150 0.172 0.106 0.490 444 I N 0.889 121.543 120.570 0.140 0.000 2.498 444 I HA 0.593 nan 4.170 nan 0.000 0.290 444 I C -2.062 174.094 176.117 0.065 0.000 1.032 444 I CA -0.502 60.904 61.300 0.177 0.000 1.073 444 I CB 3.382 41.496 38.000 0.190 0.000 1.251 444 I HN 0.556 8.798 8.210 0.053 0.000 0.426 445 Y N 5.316 125.664 120.300 0.080 0.000 2.376 445 Y HA 0.589 nan 4.550 nan 0.000 0.340 445 Y C -1.616 174.288 175.900 0.006 0.000 0.965 445 Y CA -1.308 56.850 58.100 0.097 0.000 1.078 445 Y CB 3.437 42.008 38.460 0.185 0.000 1.193 445 Y HN 0.656 9.150 8.280 0.356 0.000 0.452 446 c N 1.915 120.421 118.600 -0.157 0.000 2.707 446 c HA 0.786 nan 4.570 nan 0.000 0.313 446 c C -1.235 172.217 174.090 -1.063 0.000 1.209 446 c CA -1.574 54.372 56.329 -0.639 0.000 1.635 446 c CB 4.021 46.286 42.510 -0.409 0.000 2.206 446 c HN 0.539 8.693 8.230 -0.127 0.000 0.485 447 L N 2.165 122.409 121.223 -1.631 0.000 2.513 447 L HA -0.002 nan 4.340 nan 0.000 0.272 447 L C -1.373 175.191 176.870 -0.511 0.000 1.187 447 L CA 1.658 55.806 54.840 -1.154 0.000 0.895 447 L CB 0.611 42.147 42.059 -0.872 0.000 1.147 447 L HN 0.361 7.610 8.230 -1.635 0.000 0.483 448 M N 7.644 127.066 119.600 -0.295 0.000 2.284 448 M HA 0.104 nan 4.480 nan 0.000 0.229 448 M C -1.258 174.996 176.300 -0.076 0.000 0.984 448 M CA -0.130 55.072 55.300 -0.164 0.000 1.016 448 M CB 1.397 33.907 32.600 -0.149 0.000 2.379 448 M HN 0.617 8.756 8.290 -0.251 0.000 0.459 449 G N 5.085 113.856 108.800 -0.048 0.000 2.569 449 G HA2 -0.439 nan 3.960 nan 0.000 0.259 449 G HA3 -0.439 nan 3.960 nan 0.000 0.259 449 G C -2.259 172.653 174.900 0.020 0.000 1.263 449 G CA 0.231 45.324 45.100 -0.012 0.000 0.928 449 G HN 0.370 8.625 8.290 -0.059 0.000 0.572 450 S N -0.945 114.774 115.700 0.032 0.000 2.811 450 S HA 0.843 nan 4.470 nan 0.000 0.311 450 S C -0.522 174.115 174.600 0.061 0.000 1.152 450 S CA -1.348 56.887 58.200 0.058 0.000 0.864 450 S CB 2.970 66.198 63.200 0.046 0.000 1.226 450 S HN 0.102 8.424 8.310 0.020 0.000 0.541 451 G N 0.659 109.502 108.800 0.073 0.000 2.464 451 G HA2 -0.220 nan 3.960 nan 0.000 0.216 451 G HA3 -0.220 nan 3.960 nan 0.000 0.216 451 G C -2.115 172.842 174.900 0.095 0.000 1.186 451 G CA -0.380 44.760 45.100 0.067 0.000 1.010 451 G HN 0.127 8.465 8.290 0.080 0.000 0.585 452 Q N -1.172 118.683 119.800 0.091 0.000 2.484 452 Q HA 0.275 nan 4.340 nan 0.000 0.285 452 Q C -1.065 175.008 176.000 0.122 0.000 1.097 452 Q CA -1.906 53.965 55.803 0.115 0.000 0.802 452 Q CB 2.380 31.177 28.738 0.098 0.000 1.444 452 Q HN -0.016 8.297 8.270 0.072 0.000 0.429 453 L N 0.612 121.923 121.223 0.147 0.000 2.455 453 L HA -0.023 nan 4.340 nan 0.000 0.272 453 L C -0.763 176.208 176.870 0.168 0.000 1.174 453 L CA 0.975 55.920 54.840 0.175 0.000 0.869 453 L CB 0.435 42.598 42.059 0.174 0.000 1.130 453 L HN 0.436 8.755 8.230 0.149 0.000 0.474 454 L N 5.276 126.608 121.223 0.181 0.000 2.470 454 L HA 0.185 nan 4.340 nan 0.000 0.219 454 L C 0.007 177.058 176.870 0.303 0.000 1.071 454 L CA 0.491 55.425 54.840 0.157 0.000 0.850 454 L CB 1.034 43.114 42.059 0.035 0.000 1.040 454 L HN 0.154 8.782 8.230 0.193 -0.282 0.475 455 W N -2.256 119.130 121.300 0.144 0.000 3.167 455 W HA 0.150 nan 4.660 nan 0.000 0.324 455 W C -2.012 174.643 176.519 0.226 0.000 1.230 455 W CA -1.437 55.991 57.345 0.138 0.000 1.184 455 W CB 2.971 32.487 29.460 0.093 0.000 1.414 455 W HN -0.503 7.940 8.180 0.439 0.000 0.551 456 D N -0.038 120.489 120.400 0.213 0.000 2.440 456 D HA 0.508 nan 4.640 nan 0.000 0.258 456 D C -1.490 174.827 176.300 0.028 0.000 1.092 456 D CA -1.410 52.671 54.000 0.134 0.000 1.016 456 D CB 2.375 43.188 40.800 0.022 0.000 1.141 456 D HN 0.009 8.375 8.370 -0.008 0.000 0.552 457 T N -0.190 114.422 114.554 0.096 0.000 2.829 457 T HA 0.426 nan 4.350 nan 0.000 0.280 457 T C -1.186 173.513 174.700 -0.001 0.000 0.999 457 T CA -0.136 61.995 62.100 0.052 0.000 0.983 457 T CB 1.457 70.439 68.868 0.191 0.000 0.968 457 T HN 0.048 8.366 8.240 0.130 0.000 0.446 458 V N -1.308 118.582 119.914 -0.040 0.000 2.960 458 V HA 0.707 nan 4.120 nan 0.000 0.315 458 V C -0.218 175.885 176.094 0.015 0.000 1.087 458 V CA -2.673 59.616 62.300 -0.018 0.000 0.982 458 V CB 2.391 34.181 31.823 -0.054 0.000 1.039 458 V HN 0.071 8.221 8.190 -0.066 0.000 0.437 459 T N -2.904 111.682 114.554 0.053 0.000 2.942 459 T HA 0.072 nan 4.350 nan 0.000 0.265 459 T C 1.490 176.221 174.700 0.052 0.000 1.062 459 T CA 1.532 63.692 62.100 0.100 0.000 1.139 459 T CB 0.833 69.852 68.868 0.251 0.000 0.883 459 T HN 0.271 8.780 8.240 0.058 -0.234 0.468 460 G N 1.380 110.193 108.800 0.022 0.000 2.155 460 G HA2 -0.373 nan 3.960 nan 0.000 0.257 460 G HA3 -0.373 nan 3.960 nan 0.000 0.257 460 G C -0.751 174.134 174.900 -0.026 0.000 0.983 460 G CA 0.645 45.736 45.100 -0.016 0.000 0.676 460 G HN 0.212 8.519 8.290 0.029 0.000 0.528 461 V N 0.262 120.174 119.914 -0.004 0.000 2.509 461 V HA 0.086 nan 4.120 nan 0.000 0.284 461 V C -0.626 175.445 176.094 -0.039 0.000 1.047 461 V CA 0.039 62.303 62.300 -0.060 0.000 0.952 461 V CB 0.506 32.209 31.823 -0.201 0.000 0.988 461 V HN -0.590 7.596 8.190 0.050 0.033 0.469 462 D N 5.206 125.589 120.400 -0.028 0.000 2.349 462 D HA 0.138 nan 4.640 nan 0.000 0.232 462 D C 0.394 176.705 176.300 0.019 0.000 1.071 462 D CA -1.056 52.938 54.000 -0.010 0.000 0.832 462 D CB 1.395 42.194 40.800 -0.002 0.000 1.086 462 D HN 0.171 8.522 8.370 -0.032 0.000 0.504 463 M N 4.682 124.274 119.600 -0.013 0.000 2.557 463 M HA -0.184 nan 4.480 nan 0.000 0.259 463 M C 0.602 176.945 176.300 0.072 0.000 1.086 463 M CA 1.775 57.076 55.300 0.001 0.000 1.096 463 M CB -0.020 32.416 32.600 -0.274 0.000 1.424 463 M HN 0.586 8.847 8.290 -0.047 0.000 0.488 464 A N -1.415 121.432 122.820 0.044 0.000 2.169 464 A HA -0.020 nan 4.320 nan 0.000 0.212 464 A C 0.033 177.672 177.584 0.091 0.000 1.153 464 A CA 0.801 52.873 52.037 0.060 0.000 0.756 464 A CB 0.098 19.114 19.000 0.027 0.000 0.813 464 A HN -0.313 8.128 8.150 0.023 -0.276 0.471 465 L N 0.000 121.279 121.223 0.093 0.000 2.949 465 L HA 0.000 nan 4.340 nan 0.000 0.249 465 L CA 0.000 54.882 54.840 0.071 0.000 0.813 465 L CB 0.000 42.083 42.059 0.040 0.000 0.961 465 L HN 0.000 8.241 8.230 0.099 0.049 0.502