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_A 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 0.000 176.509 176.600 -0.152 0.000 1.382 76 E CA 0.000 56.331 56.400 -0.116 0.000 0.976 76 E CB 0.000 29.618 29.700 -0.136 0.000 0.812 77 P HA 0.061 nan 4.420 nan 0.000 0.269 77 P C -0.897 176.267 177.300 -0.227 0.000 1.215 77 P CA -0.345 62.669 63.100 -0.143 0.000 0.780 77 P CB 0.578 32.220 31.700 -0.097 0.000 0.898 78 E N -0.240 119.885 120.200 -0.125 0.000 2.383 78 E HA -0.101 nan 4.350 nan 0.000 0.264 78 E C -0.144 176.433 176.600 -0.039 0.000 1.050 78 E CA 0.152 56.495 56.400 -0.096 0.000 0.896 78 E CB 1.586 31.299 29.700 0.022 0.000 0.982 78 E HN 0.193 8.513 8.360 -0.067 0.000 0.424 79 W N -0.410 120.914 121.300 0.041 0.000 2.181 79 W HA -0.066 nan 4.660 nan 0.000 0.335 79 W C 0.328 176.824 176.519 -0.038 0.000 1.310 79 W CA -0.462 56.861 57.345 -0.037 0.000 1.226 79 W CB 0.698 30.096 29.460 -0.103 0.000 1.155 79 W HN -0.142 8.082 8.180 0.074 0.000 0.565 80 T N 4.037 118.688 114.554 0.162 0.000 2.919 80 T HA 0.168 nan 4.350 nan 0.000 0.302 80 T C -1.351 173.209 174.700 -0.233 0.000 1.031 80 T CA 1.284 63.412 62.100 0.047 0.000 1.127 80 T CB 0.911 69.815 68.868 0.060 0.000 0.952 80 T HN 0.293 8.567 8.240 0.227 0.102 0.540 81 Y N 1.514 121.780 120.300 -0.056 0.000 2.545 81 Y HA 0.400 nan 4.550 nan 0.000 0.348 81 Y C -2.046 173.708 175.900 -0.242 0.000 1.002 81 Y CA -3.546 54.440 58.100 -0.190 0.000 1.039 81 Y CB 2.175 40.551 38.460 -0.139 0.000 1.271 81 Y HN 0.024 8.421 8.280 0.195 0.000 0.467 82 P HA 0.115 nan 4.420 nan 0.000 0.268 82 P C -1.507 175.761 177.300 -0.053 0.000 1.205 82 P CA -0.027 62.962 63.100 -0.184 0.000 0.771 82 P CB 0.469 31.983 31.700 -0.311 0.000 0.858 83 R N 0.835 121.330 120.500 -0.009 0.000 2.939 83 R HA 0.373 nan 4.340 nan 0.000 0.254 83 R C -0.804 175.502 176.300 0.010 0.000 1.123 83 R CA -2.504 53.596 56.100 0.000 0.000 1.020 83 R CB 3.454 33.759 30.300 0.009 0.000 1.206 83 R HN 0.376 8.975 8.270 0.005 -0.326 0.491 84 L N 0.413 121.643 121.223 0.011 0.000 2.483 84 L HA 0.068 nan 4.340 nan 0.000 0.276 84 L C 0.442 177.329 176.870 0.029 0.000 1.213 84 L CA 0.495 55.350 54.840 0.025 0.000 0.843 84 L CB 0.238 42.309 42.059 0.021 0.000 1.107 84 L HN 0.329 8.561 8.230 0.003 0.000 0.487 85 S N 1.983 117.710 115.700 0.045 0.000 2.593 85 S HA -0.002 nan 4.470 nan 0.000 0.269 85 S C 0.334 174.947 174.600 0.021 0.000 1.334 85 S CA 0.918 59.139 58.200 0.035 0.000 1.015 85 S CB 0.678 63.915 63.200 0.062 0.000 0.912 85 S HN -0.026 8.215 8.310 0.062 0.106 0.541 86 c N 1.849 120.446 118.600 -0.005 0.000 2.700 86 c HA -0.014 nan 4.570 nan 0.000 0.397 86 c C 0.485 174.575 174.090 0.000 0.000 1.301 86 c CA 0.084 56.406 56.329 -0.012 0.000 2.219 86 c CB 0.079 42.566 42.510 -0.039 0.000 2.699 86 c HN 0.206 8.326 8.230 -0.022 0.096 0.669 87 Q N 3.757 123.559 119.800 0.004 0.000 2.395 87 Q HA -0.100 nan 4.340 nan 0.000 0.271 87 Q C -0.185 175.823 176.000 0.014 0.000 1.026 87 Q CA 0.559 56.374 55.803 0.019 0.000 0.900 87 Q CB 0.903 29.648 28.738 0.012 0.000 1.266 87 Q HN 0.392 8.661 8.270 -0.003 0.000 0.430 88 G N 0.073 108.900 108.800 0.046 0.000 2.340 88 G HA2 -0.022 nan 3.960 nan 0.000 0.300 88 G HA3 -0.022 nan 3.960 nan 0.000 0.300 88 G C -1.926 173.059 174.900 0.142 0.000 1.488 88 G CA 0.112 45.242 45.100 0.050 0.000 0.878 88 G HN -0.221 8.111 8.290 0.070 0.000 0.618 89 S N -2.036 113.773 115.700 0.182 0.000 2.820 89 S HA 0.179 nan 4.470 nan 0.000 0.265 89 S C -0.547 174.311 174.600 0.430 0.000 1.043 89 S CA -0.784 57.610 58.200 0.323 0.000 1.245 89 S CB 2.654 65.984 63.200 0.216 0.000 1.187 89 S HN 0.550 8.938 8.310 0.130 0.000 0.673 90 T N 0.793 115.525 114.554 0.297 0.000 2.883 90 T HA 0.403 nan 4.350 nan 0.000 0.301 90 T C -2.291 172.519 174.700 0.185 0.000 1.158 90 T CA -0.480 61.820 62.100 0.333 0.000 1.007 90 T CB 2.597 71.608 68.868 0.239 0.000 1.186 90 T HN -0.795 7.548 8.240 0.172 0.000 0.499 91 F N 1.609 121.483 119.950 -0.126 0.000 2.377 91 F HA 0.710 nan 4.527 nan 0.000 0.328 91 F C -0.695 175.126 175.800 0.035 0.000 1.094 91 F CA -1.222 56.686 58.000 -0.154 0.000 1.093 91 F CB 1.592 40.465 39.000 -0.212 0.000 1.214 91 F HN 0.387 8.908 8.300 0.368 0.000 0.518 92 Q N -1.301 118.587 119.800 0.146 0.000 2.495 92 Q HA 0.354 nan 4.340 nan 0.000 0.287 92 Q C -1.610 174.322 176.000 -0.112 0.000 1.078 92 Q CA -2.530 53.342 55.803 0.115 0.000 0.793 92 Q CB 4.557 33.302 28.738 0.011 0.000 1.459 92 Q HN 0.670 8.935 8.270 -0.010 0.000 0.422 93 K N 1.541 121.761 120.400 -0.300 0.000 2.447 93 K HA -0.180 nan 4.320 nan 0.000 0.281 93 K C -0.868 175.485 176.600 -0.411 0.000 1.031 93 K CA 1.065 56.855 56.287 -0.829 0.000 1.019 93 K CB 0.292 32.596 32.500 -0.326 0.000 0.918 93 K HN 0.406 8.650 8.250 -0.011 0.000 0.476 94 A N 7.978 130.533 122.820 -0.441 0.000 1.983 94 A HA 0.272 nan 4.320 nan 0.000 0.207 94 A C -1.377 176.139 177.584 -0.112 0.000 1.412 94 A CA 0.782 52.699 52.037 -0.199 0.000 0.750 94 A CB 1.580 20.494 19.000 -0.144 0.000 1.047 94 A HN 0.854 8.606 8.150 -0.663 0.000 0.504 95 L N -3.880 117.286 121.223 -0.095 0.000 2.612 95 L HA 0.330 nan 4.340 nan 0.000 0.256 95 L C -2.782 174.092 176.870 0.006 0.000 0.949 95 L CA 0.211 55.039 54.840 -0.020 0.000 0.867 95 L CB 3.777 45.841 42.059 0.009 0.000 1.417 95 L HN -0.523 7.621 8.230 -0.142 0.000 0.414 96 L N 3.931 125.173 121.223 0.032 0.000 2.356 96 L HA 0.761 nan 4.340 nan 0.000 0.277 96 L C -1.799 175.117 176.870 0.076 0.000 0.996 96 L CA -0.667 54.208 54.840 0.058 0.000 0.822 96 L CB 2.398 44.488 42.059 0.052 0.000 1.256 96 L HN 0.164 8.416 8.230 0.036 0.000 0.413 97 I N 7.964 128.594 120.570 0.101 0.000 2.328 97 I HA 0.246 nan 4.170 nan 0.000 0.287 97 I C -1.533 174.671 176.117 0.145 0.000 1.012 97 I CA -1.246 60.137 61.300 0.137 0.000 1.195 97 I CB -0.167 37.956 38.000 0.206 0.000 1.350 97 I HN 0.848 9.121 8.210 0.105 0.000 0.464 98 S N 7.388 123.158 115.700 0.117 0.000 2.252 98 S HA 0.488 nan 4.470 nan 0.000 0.187 98 S C -1.245 173.373 174.600 0.030 0.000 1.587 98 S CA -4.555 53.704 58.200 0.098 0.000 1.215 98 S CB 0.472 63.701 63.200 0.049 0.000 1.085 98 S HN 0.536 8.918 8.310 0.121 0.000 0.466 99 P HA -0.091 nan 4.420 nan 0.000 0.221 99 P C 0.654 177.778 177.300 -0.293 0.000 1.150 99 P CA 1.572 64.608 63.100 -0.108 0.000 0.800 99 P CB 0.191 31.727 31.700 -0.274 0.000 0.787 100 H N -4.303 114.722 119.070 -0.074 0.000 2.547 100 H HA 0.061 nan 4.556 nan 0.000 0.266 100 H C 1.730 176.886 175.328 -0.286 0.000 0.988 100 H CA 1.621 57.531 56.048 -0.230 0.000 1.147 100 H CB -0.854 28.705 29.762 -0.338 0.000 1.365 100 H HN 0.177 8.398 8.280 -0.030 0.040 0.589 101 R N -0.366 119.909 120.500 -0.374 0.000 2.285 101 R HA -0.191 nan 4.340 nan 0.000 0.213 101 R C 1.041 176.882 176.300 -0.765 0.000 1.068 101 R CA 1.922 57.653 56.100 -0.616 0.000 1.004 101 R CB -0.407 29.357 30.300 -0.894 0.000 0.873 101 R HN -0.420 7.585 8.270 -0.353 0.054 0.467 102 F N -4.585 115.316 119.950 -0.081 0.000 2.683 102 F HA 0.247 nan 4.527 nan 0.000 0.306 102 F C -0.588 175.152 175.800 -0.100 0.000 1.102 102 F CA -0.961 56.989 58.000 -0.083 0.000 1.244 102 F CB 0.622 39.566 39.000 -0.092 0.000 1.029 102 F HN -0.594 7.361 8.300 -0.309 0.160 0.545 103 G N -1.994 106.787 108.800 -0.031 0.000 3.233 103 G HA2 -0.072 nan 3.960 nan 0.000 0.227 103 G HA3 -0.072 nan 3.960 nan 0.000 0.227 103 G C -0.848 174.014 174.900 -0.064 0.000 1.175 103 G CA -0.525 44.527 45.100 -0.079 0.000 0.781 103 G HN -0.727 7.363 8.290 -0.094 0.143 0.542 104 E N 1.054 121.244 120.200 -0.018 0.000 2.413 104 E HA -0.200 nan 4.350 nan 0.000 0.263 104 E C 0.155 176.764 176.600 0.016 0.000 1.015 104 E CA 0.349 56.752 56.400 0.005 0.000 0.916 104 E CB 0.363 30.073 29.700 0.016 0.000 0.947 104 E HN -0.726 7.558 8.360 -0.002 0.075 0.440 105 A N 6.677 129.516 122.820 0.031 0.000 2.024 105 A HA -0.214 nan 4.320 nan 0.000 0.220 105 A C 0.271 177.868 177.584 0.023 0.000 1.164 105 A CA 2.365 54.422 52.037 0.033 0.000 0.643 105 A CB -0.769 18.260 19.000 0.047 0.000 0.806 105 A HN 0.369 8.434 8.150 0.043 0.111 0.451 106 R N -2.649 117.865 120.500 0.023 0.000 2.310 106 R HA 0.038 nan 4.340 nan 0.000 0.202 106 R C 0.333 176.645 176.300 0.020 0.000 0.933 106 R CA -0.171 55.941 56.100 0.019 0.000 1.054 106 R CB -0.065 30.247 30.300 0.019 0.000 0.985 106 R HN -0.002 8.270 8.270 0.026 0.013 0.489 107 G N 1.187 110.002 108.800 0.025 0.000 2.543 107 G HA2 -0.059 nan 3.960 nan 0.000 0.290 107 G HA3 -0.059 nan 3.960 nan 0.000 0.290 107 G C -0.778 174.133 174.900 0.019 0.000 1.310 107 G CA -0.532 44.587 45.100 0.033 0.000 1.025 107 G HN -0.081 8.029 8.290 0.024 0.194 0.502 108 N N -1.683 117.026 118.700 0.015 0.000 2.351 108 N HA 0.238 nan 4.740 nan 0.000 0.254 108 N C -0.981 174.519 175.510 -0.016 0.000 1.241 108 N CA -0.154 52.895 53.050 -0.003 0.000 0.883 108 N CB 0.611 39.091 38.487 -0.012 0.000 1.202 108 N HN 0.228 8.623 8.380 0.026 0.000 0.512 109 S N -0.126 115.570 115.700 -0.007 0.000 2.689 109 S HA 0.253 nan 4.470 nan 0.000 0.306 109 S C -1.646 172.941 174.600 -0.021 0.000 1.104 109 S CA -0.687 57.496 58.200 -0.028 0.000 0.973 109 S CB 2.475 65.658 63.200 -0.027 0.000 1.121 109 S HN -0.226 8.091 8.310 0.012 0.000 0.523 110 A N 1.341 124.139 122.820 -0.038 0.000 3.258 110 A HA 0.387 nan 4.320 nan 0.000 0.318 110 A C -2.698 174.855 177.584 -0.052 0.000 0.990 110 A CA -2.887 49.134 52.037 -0.028 0.000 0.885 110 A CB -0.038 18.955 19.000 -0.012 0.000 1.090 110 A HN 0.264 8.381 8.150 -0.055 0.000 0.479 111 P HA 0.058 nan 4.420 nan 0.000 0.265 111 P C -1.222 176.015 177.300 -0.104 0.000 1.193 111 P CA -0.005 62.991 63.100 -0.174 0.000 0.765 111 P CB 0.317 31.790 31.700 -0.379 0.000 0.823 112 L N 1.984 123.155 121.223 -0.087 0.000 2.417 112 L HA 0.244 nan 4.340 nan 0.000 0.268 112 L C 0.019 176.953 176.870 0.107 0.000 1.158 112 L CA -0.490 54.350 54.840 0.001 0.000 0.819 112 L CB 0.780 42.799 42.059 -0.066 0.000 1.112 112 L HN -0.128 8.021 8.230 -0.134 0.000 0.458 113 I N 1.236 121.914 120.570 0.180 0.000 2.416 113 I HA 0.032 nan 4.170 nan 0.000 0.288 113 I C -1.081 175.166 176.117 0.216 0.000 1.051 113 I CA 0.696 62.141 61.300 0.241 0.000 1.375 113 I CB -0.216 37.939 38.000 0.258 0.000 1.407 113 I HN 0.346 8.659 8.210 0.171 0.000 0.516 114 I N 2.035 122.724 120.570 0.198 0.000 3.095 114 I HA 0.928 nan 4.170 nan 0.000 0.310 114 I C -1.804 174.385 176.117 0.120 0.000 1.196 114 I CA -1.950 59.427 61.300 0.128 0.000 0.985 114 I CB 4.348 42.367 38.000 0.032 0.000 1.250 114 I HN 0.022 8.362 8.210 0.217 0.000 0.446 115 R N -0.753 119.804 120.500 0.095 0.000 2.781 115 R HA 0.324 nan 4.340 nan 0.000 0.268 115 R C -1.412 174.933 176.300 0.076 0.000 1.047 115 R CA -0.990 55.139 56.100 0.049 0.000 0.925 115 R CB 4.402 34.742 30.300 0.067 0.000 1.246 115 R HN 0.023 8.345 8.270 0.087 0.000 0.456 116 E N -2.651 117.589 120.200 0.067 0.000 2.228 116 E HA -0.304 nan 4.350 nan 0.000 0.213 116 E C -2.267 174.477 176.600 0.240 0.000 1.282 116 E CA 0.696 57.213 56.400 0.196 0.000 0.707 116 E CB -2.202 27.651 29.700 0.254 0.000 1.150 116 E HN -0.143 8.480 8.360 -0.027 -0.279 0.362 117 P HA 0.003 nan 4.420 nan 0.000 0.269 117 P C -1.704 175.580 177.300 -0.028 0.000 1.215 117 P CA 0.309 63.493 63.100 0.140 0.000 0.780 117 P CB 0.730 32.602 31.700 0.286 0.000 0.898 118 F N -4.513 115.231 119.950 -0.342 0.000 2.741 118 F HA 0.313 nan 4.527 nan 0.000 0.311 118 F C -2.569 172.958 175.800 -0.455 0.000 1.149 118 F CA -2.064 55.256 58.000 -1.133 0.000 0.930 118 F CB 2.557 41.124 39.000 -0.722 0.000 1.312 118 F HN 0.304 8.392 8.300 -0.355 0.000 0.450 119 I N -0.553 119.850 120.570 -0.277 0.000 2.689 119 I HA 0.720 nan 4.170 nan 0.000 0.299 119 I C -1.599 174.590 176.117 0.120 0.000 1.059 119 I CA -1.516 59.655 61.300 -0.215 0.000 1.055 119 I CB 4.241 41.736 38.000 -0.842 0.000 1.243 119 I HN 0.228 8.244 8.210 -0.323 0.000 0.425 120 A N 3.941 126.956 122.820 0.325 0.000 2.486 120 A HA 0.593 nan 4.320 nan 0.000 0.300 120 A C -2.634 175.266 177.584 0.527 0.000 1.048 120 A CA -1.305 51.034 52.037 0.503 0.000 0.696 120 A CB 3.449 22.873 19.000 0.707 0.000 1.278 120 A HN 0.196 8.520 8.150 0.290 0.000 0.405 121 c N 0.593 119.444 118.600 0.419 0.000 2.561 121 c HA 0.939 nan 4.570 nan 0.000 0.319 121 c C 0.326 174.466 174.090 0.083 0.000 1.198 121 c CA -1.783 54.730 56.329 0.306 0.000 1.665 121 c CB 2.812 45.476 42.510 0.256 0.000 2.258 121 c HN 0.654 9.114 8.230 0.384 0.000 0.493 122 G N 0.774 109.505 108.800 -0.114 0.000 2.642 122 G HA2 0.496 nan 3.960 nan 0.000 0.291 122 G HA3 0.496 nan 3.960 nan 0.000 0.291 122 G C -1.984 172.790 174.900 -0.211 0.000 1.345 122 G CA -1.436 43.365 45.100 -0.498 0.000 1.043 122 G HN 0.689 9.004 8.290 0.042 0.000 0.528 123 P HA -0.074 nan 4.420 nan 0.000 0.219 123 P C -0.026 177.249 177.300 -0.042 0.000 1.146 123 P CA 2.035 65.093 63.100 -0.070 0.000 0.808 123 P CB 0.300 31.974 31.700 -0.043 0.000 0.779 124 K N -5.539 114.826 120.400 -0.057 0.000 2.425 124 K HA 0.242 nan 4.320 nan 0.000 0.201 124 K C -0.392 176.218 176.600 0.016 0.000 1.128 124 K CA -0.586 55.694 56.287 -0.012 0.000 1.000 124 K CB 0.902 33.397 32.500 -0.007 0.000 0.961 124 K HN -0.229 7.924 8.250 -0.116 0.028 0.555 125 E N -0.478 119.740 120.200 0.031 0.000 2.392 125 E HA 0.134 nan 4.350 nan 0.000 0.279 125 E C -2.515 174.176 176.600 0.151 0.000 0.964 125 E CA -0.720 55.729 56.400 0.082 0.000 0.777 125 E CB 2.739 32.496 29.700 0.096 0.000 1.249 125 E HN -0.647 7.712 8.360 -0.002 0.000 0.449 126 c N 1.097 119.781 118.600 0.140 0.000 2.435 126 c HA 0.844 nan 4.570 nan 0.000 0.333 126 c C -0.997 173.133 174.090 0.068 0.000 1.202 126 c CA -1.744 54.692 56.329 0.178 0.000 1.830 126 c CB 2.613 45.203 42.510 0.133 0.000 2.326 126 c HN 0.714 9.000 8.230 0.092 0.000 0.507 127 K N 1.188 121.594 120.400 0.010 0.000 2.203 127 K HA 0.654 nan 4.320 nan 0.000 0.251 127 K C -1.864 174.512 176.600 -0.372 0.000 0.944 127 K CA -1.375 54.692 56.287 -0.366 0.000 0.829 127 K CB 3.085 35.022 32.500 -0.938 0.000 1.125 127 K HN 0.758 9.136 8.250 0.214 0.000 0.430 128 H N 3.510 122.242 119.070 -0.563 0.000 2.623 128 H HA 0.464 nan 4.556 nan 0.000 0.299 128 H C -1.083 173.850 175.328 -0.657 0.000 1.052 128 H CA -2.423 53.350 56.048 -0.459 0.000 1.231 128 H CB 1.515 31.111 29.762 -0.277 0.000 1.389 128 H HN 0.613 8.648 8.280 -0.409 0.000 0.469 129 F N 6.806 126.464 119.950 -0.488 0.000 2.408 129 F HA 0.550 nan 4.527 nan 0.000 0.325 129 F C -1.507 173.941 175.800 -0.587 0.000 1.082 129 F CA -0.861 56.722 58.000 -0.695 0.000 1.032 129 F CB 2.565 40.798 39.000 -1.279 0.000 1.259 129 F HN 0.558 8.664 8.300 -0.324 0.000 0.503 130 A N -1.455 121.246 122.820 -0.198 0.000 2.566 130 A HA 0.740 nan 4.320 nan 0.000 0.290 130 A C -2.658 174.913 177.584 -0.023 0.000 1.071 130 A CA -0.112 51.866 52.037 -0.099 0.000 0.658 130 A CB 3.328 22.242 19.000 -0.142 0.000 1.285 130 A HN 0.527 8.602 8.150 -0.125 0.000 0.427 131 L N -1.393 119.852 121.223 0.035 0.000 2.277 131 L HA 0.562 nan 4.340 nan 0.000 0.284 131 L C -0.601 176.269 176.870 0.000 0.000 1.028 131 L CA -1.347 53.518 54.840 0.042 0.000 0.835 131 L CB 0.478 42.597 42.059 0.099 0.000 1.215 131 L HN 0.116 8.384 8.230 0.063 0.000 0.425 132 T N 5.378 119.914 114.554 -0.030 0.000 2.913 132 T HA 0.286 nan 4.350 nan 0.000 0.287 132 T C 0.360 175.081 174.700 0.035 0.000 1.008 132 T CA -1.031 61.068 62.100 -0.002 0.000 1.067 132 T CB 1.506 70.310 68.868 -0.107 0.000 0.996 132 T HN 0.616 8.830 8.240 -0.042 0.000 0.513 133 H N 7.125 126.305 119.070 0.183 0.000 2.526 133 H HA 0.019 nan 4.556 nan 0.000 0.274 133 H C -0.155 175.358 175.328 0.308 0.000 0.999 133 H CA -0.175 56.016 56.048 0.239 0.000 1.157 133 H CB 0.214 30.107 29.762 0.217 0.000 1.407 133 H HN 0.526 8.974 8.280 0.280 0.000 0.568 134 Y N -2.944 117.485 120.300 0.215 0.000 3.305 134 Y HA -0.566 nan 4.550 nan 0.000 0.209 134 Y C -1.519 174.459 175.900 0.131 0.000 1.354 134 Y CA 0.264 58.471 58.100 0.177 0.000 1.392 134 Y CB -1.981 36.535 38.460 0.094 0.000 1.446 134 Y HN -0.421 7.927 8.280 0.241 0.077 0.553 135 A N -2.475 120.538 122.820 0.323 0.000 2.594 135 A HA 0.271 nan 4.320 nan 0.000 0.295 135 A C -2.868 174.872 177.584 0.260 0.000 1.071 135 A CA -0.562 51.667 52.037 0.319 0.000 0.685 135 A CB 3.566 22.799 19.000 0.388 0.000 1.285 135 A HN -0.385 7.929 8.150 0.275 0.000 0.405 136 A N -0.173 122.792 122.820 0.241 0.000 2.386 136 A HA 0.912 nan 4.320 nan 0.000 0.308 136 A C -2.107 175.583 177.584 0.177 0.000 1.128 136 A CA -1.045 51.088 52.037 0.161 0.000 0.789 136 A CB 2.944 22.007 19.000 0.104 0.000 1.325 136 A HN 0.167 8.482 8.150 0.275 0.000 0.437 137 Q N -0.541 119.293 119.800 0.057 0.000 2.331 137 Q HA 0.485 nan 4.340 nan 0.000 0.267 137 Q C -2.771 173.206 176.000 -0.038 0.000 1.006 137 Q CA -4.049 51.731 55.803 -0.038 0.000 0.818 137 Q CB 2.914 31.382 28.738 -0.451 0.000 1.276 137 Q HN -0.211 8.071 8.270 0.020 0.000 0.450 138 P HA 0.263 nan 4.420 nan 0.000 0.272 138 P C -1.924 175.421 177.300 0.074 0.000 1.223 138 P CA -0.316 62.830 63.100 0.077 0.000 0.784 138 P CB 0.904 32.630 31.700 0.043 0.000 0.923 139 G N 0.148 108.955 108.800 0.012 0.000 2.489 139 G HA2 0.005 nan 3.960 nan 0.000 0.305 139 G HA3 0.005 nan 3.960 nan 0.000 0.305 139 G C -1.147 173.475 174.900 -0.464 0.000 1.311 139 G CA 0.527 45.561 45.100 -0.110 0.000 0.813 139 G HN -0.625 7.670 8.290 0.007 0.000 0.480 140 G N -1.646 106.858 108.800 -0.495 0.000 3.377 140 G HA2 0.255 nan 3.960 nan 0.000 0.257 140 G HA3 0.255 nan 3.960 nan 0.000 0.257 140 G C -0.191 174.274 174.900 -0.724 0.000 1.038 140 G CA 0.197 44.886 45.100 -0.684 0.000 0.809 140 G HN 0.041 8.124 8.290 -0.345 0.000 0.526 141 Y N -1.079 119.131 120.300 -0.150 0.000 2.722 141 Y HA 0.310 nan 4.550 nan 0.000 0.314 141 Y C -0.208 175.800 175.900 0.180 0.000 1.008 141 Y CA -2.299 55.815 58.100 0.023 0.000 1.294 141 Y CB -0.909 37.601 38.460 0.083 0.000 1.231 141 Y HN -0.067 8.132 8.280 -0.134 0.000 0.558 142 Y N -1.683 118.711 120.300 0.158 0.000 2.373 142 Y HA -0.210 nan 4.550 nan 0.000 0.293 142 Y C 0.560 176.516 175.900 0.095 0.000 1.129 142 Y CA -0.410 57.781 58.100 0.152 0.000 1.226 142 Y CB -0.347 38.214 38.460 0.169 0.000 1.000 142 Y HN -0.300 7.833 8.280 -0.140 0.063 0.549 143 N N -0.412 118.426 118.700 0.230 0.000 2.452 143 N HA -0.213 nan 4.740 nan 0.000 0.266 143 N C 0.805 176.374 175.510 0.098 0.000 1.209 143 N CA 1.311 54.440 53.050 0.132 0.000 0.929 143 N CB -0.059 38.485 38.487 0.096 0.000 1.063 143 N HN -0.502 7.970 8.380 0.195 0.026 0.472 144 G N 4.206 113.027 108.800 0.034 0.000 2.176 144 G HA2 -0.342 nan 3.960 nan 0.000 0.232 144 G HA3 -0.342 nan 3.960 nan 0.000 0.232 144 G C 0.685 175.495 174.900 -0.150 0.000 0.986 144 G CA 0.399 45.498 45.100 -0.001 0.000 0.643 144 G HN 0.609 8.910 8.290 0.019 0.000 0.522 145 T N -3.470 110.953 114.554 -0.219 0.000 3.160 145 T HA -0.142 nan 4.350 nan 0.000 0.257 145 T C 0.656 175.083 174.700 -0.454 0.000 1.147 145 T CA 1.088 62.804 62.100 -0.639 0.000 1.064 145 T CB -0.353 68.393 68.868 -0.204 0.000 0.949 145 T HN -0.201 7.954 8.240 -0.057 0.051 0.526 146 R N -0.971 119.360 120.500 -0.281 0.000 2.393 146 R HA 0.063 nan 4.340 nan 0.000 0.244 146 R C -0.619 175.588 176.300 -0.155 0.000 0.920 146 R CA -0.290 55.592 56.100 -0.364 0.000 1.076 146 R CB 0.228 30.260 30.300 -0.447 0.000 1.119 146 R HN -0.119 7.969 8.270 -0.206 0.059 0.524 147 E N -0.370 119.802 120.200 -0.046 0.000 2.283 147 E HA 0.041 nan 4.350 nan 0.000 0.267 147 E C -0.023 176.685 176.600 0.181 0.000 1.045 147 E CA -0.622 55.808 56.400 0.051 0.000 0.884 147 E CB 2.044 31.776 29.700 0.053 0.000 1.106 147 E HN -0.638 7.491 8.360 -0.107 0.167 0.408 148 D N 2.093 122.545 120.400 0.085 0.000 2.277 148 D HA 0.038 nan 4.640 nan 0.000 0.209 148 D C 0.344 176.630 176.300 -0.023 0.000 0.970 148 D CA 1.655 55.700 54.000 0.074 0.000 0.874 148 D CB 0.725 41.535 40.800 0.018 0.000 0.982 148 D HN 0.269 8.650 8.370 0.018 0.000 0.504 149 R N -0.911 119.490 120.500 -0.165 0.000 2.628 149 R HA 0.193 nan 4.340 nan 0.000 0.288 149 R C -1.749 174.457 176.300 -0.157 0.000 0.980 149 R CA -0.375 55.479 56.100 -0.410 0.000 0.891 149 R CB 2.220 31.865 30.300 -1.091 0.000 1.188 149 R HN -0.068 8.124 8.270 -0.131 0.000 0.450 150 N N 2.227 120.945 118.700 0.031 0.000 3.339 150 N HA 0.020 nan 4.740 nan 0.000 0.275 150 N C -0.955 174.690 175.510 0.224 0.000 1.514 150 N CA -0.817 52.304 53.050 0.119 0.000 0.879 150 N CB 0.830 39.401 38.487 0.139 0.000 1.557 150 N HN 0.017 8.491 8.380 0.156 0.000 0.524 151 K N -1.988 118.513 120.400 0.169 0.000 2.444 151 K HA 0.054 nan 4.320 nan 0.000 0.193 151 K C -0.019 176.679 176.600 0.164 0.000 1.024 151 K CA 1.292 57.673 56.287 0.157 0.000 1.077 151 K CB -0.112 32.445 32.500 0.094 0.000 0.833 151 K HN 0.285 8.613 8.250 0.130 0.000 0.517 152 L N -2.312 119.027 121.223 0.193 0.000 2.556 152 L HA 0.021 nan 4.340 nan 0.000 0.226 152 L C 0.052 177.191 176.870 0.449 0.000 1.089 152 L CA -0.216 54.771 54.840 0.244 0.000 0.864 152 L CB 1.000 43.141 42.059 0.138 0.000 1.067 152 L HN -0.090 8.506 8.230 0.195 -0.249 0.477 153 R N -1.058 119.633 120.500 0.318 0.000 2.623 153 R HA -0.131 nan 4.340 nan 0.000 0.271 153 R C -0.666 175.844 176.300 0.350 0.000 1.043 153 R CA 1.132 57.391 56.100 0.265 0.000 1.083 153 R CB 0.336 30.707 30.300 0.118 0.000 0.974 153 R HN -0.672 7.931 8.270 0.264 -0.175 0.436 154 H N 0.947 120.110 119.070 0.155 0.000 2.895 154 H HA 0.566 nan 4.556 nan 0.000 0.373 154 H C -1.826 173.515 175.328 0.022 0.000 1.174 154 H CA -0.903 55.227 56.048 0.137 0.000 1.144 154 H CB 3.802 33.712 29.762 0.247 0.000 1.793 154 H HN 0.031 8.481 8.280 0.283 0.000 0.551 155 L N 2.684 123.985 121.223 0.130 0.000 2.319 155 L HA 0.501 nan 4.340 nan 0.000 0.280 155 L C -1.896 175.005 176.870 0.051 0.000 1.099 155 L CA -0.035 54.871 54.840 0.109 0.000 0.828 155 L CB 0.825 42.976 42.059 0.154 0.000 1.150 155 L HN 0.331 8.630 8.230 0.115 0.000 0.442 156 I N 1.725 122.246 120.570 -0.082 0.000 3.108 156 I HA 1.041 nan 4.170 nan 0.000 0.312 156 I C -2.350 173.644 176.117 -0.206 0.000 1.095 156 I CA -2.563 58.549 61.300 -0.314 0.000 1.000 156 I CB 3.855 41.419 38.000 -0.727 0.000 1.229 156 I HN 0.748 8.922 8.210 -0.060 0.000 0.454 157 S N -1.150 114.334 115.700 -0.360 0.000 2.596 157 S HA 0.734 nan 4.470 nan 0.000 0.270 157 S C -1.814 172.506 174.600 -0.467 0.000 1.155 157 S CA -1.267 56.599 58.200 -0.556 0.000 0.827 157 S CB 3.110 65.747 63.200 -0.938 0.000 1.130 157 S HN -0.033 8.011 8.310 -0.443 0.000 0.467 158 V N -7.190 112.449 119.914 -0.459 0.000 3.160 158 V HA 0.489 nan 4.120 nan 0.000 0.310 158 V C -1.954 173.972 176.094 -0.280 0.000 1.181 158 V CA -2.897 59.214 62.300 -0.314 0.000 1.047 158 V CB 3.513 35.190 31.823 -0.243 0.000 1.068 158 V HN 0.296 8.168 8.190 -0.530 0.000 0.441 159 K N 0.227 120.517 120.400 -0.184 0.000 2.401 159 K HA 0.106 nan 4.320 nan 0.000 0.278 159 K C -0.267 176.286 176.600 -0.078 0.000 1.018 159 K CA 0.468 56.680 56.287 -0.125 0.000 0.981 159 K CB 0.861 33.316 32.500 -0.075 0.000 0.933 159 K HN 0.202 8.355 8.250 -0.161 0.000 0.477 160 L N 5.966 127.157 121.223 -0.053 0.000 2.540 160 L HA -0.310 nan 4.340 nan 0.000 0.276 160 L C 0.025 176.897 176.870 0.002 0.000 1.212 160 L CA 1.952 56.783 54.840 -0.015 0.000 0.893 160 L CB 0.021 42.068 42.059 -0.021 0.000 1.138 160 L HN 0.307 8.403 8.230 -0.058 0.099 0.491 161 G N 5.080 113.893 108.800 0.022 0.000 2.213 161 G HA2 -0.279 nan 3.960 nan 0.000 0.226 161 G HA3 -0.279 nan 3.960 nan 0.000 0.226 161 G C -0.132 174.775 174.900 0.011 0.000 0.992 161 G CA -0.035 45.077 45.100 0.020 0.000 0.632 161 G HN 0.436 8.755 8.290 0.048 0.000 0.511 162 K N 0.924 121.321 120.400 -0.005 0.000 2.095 162 K HA 0.512 nan 4.320 nan 0.000 0.252 162 K C -0.693 175.884 176.600 -0.037 0.000 0.977 162 K CA -1.570 54.695 56.287 -0.036 0.000 0.900 162 K CB 1.392 33.849 32.500 -0.072 0.000 1.060 162 K HN -0.298 7.872 8.250 -0.009 0.075 0.449 163 I N 2.006 122.536 120.570 -0.068 0.000 2.371 163 I HA 0.158 nan 4.170 nan 0.000 0.290 163 I C -1.507 174.543 176.117 -0.112 0.000 1.028 163 I CA -3.805 57.459 61.300 -0.061 0.000 1.345 163 I CB -0.766 37.191 38.000 -0.071 0.000 1.407 163 I HN -0.380 7.905 8.210 -0.093 -0.130 0.501 164 P HA 0.084 nan 4.420 nan 0.000 0.259 164 P C -1.271 175.923 177.300 -0.176 0.000 1.635 164 P CA -0.424 62.548 63.100 -0.214 0.000 1.199 164 P CB -1.704 29.811 31.700 -0.309 0.000 1.850 165 T N -1.772 112.695 114.554 -0.144 0.000 2.910 165 T HA 0.510 nan 4.350 nan 0.000 0.279 165 T C 1.364 176.016 174.700 -0.080 0.000 0.989 165 T CA -2.422 59.613 62.100 -0.108 0.000 0.968 165 T CB 2.700 71.508 68.868 -0.101 0.000 1.135 165 T HN -0.334 7.822 8.240 -0.141 0.000 0.562 166 V N 0.409 120.303 119.914 -0.032 0.000 2.250 166 V HA -0.439 nan 4.120 nan 0.000 0.250 166 V C 1.769 177.870 176.094 0.013 0.000 1.060 166 V CA 4.009 66.322 62.300 0.022 0.000 1.030 166 V CB -0.696 31.137 31.823 0.018 0.000 0.643 166 V HN 0.374 8.543 8.190 -0.034 0.000 0.445 167 E N -2.391 117.792 120.200 -0.028 0.000 2.230 167 E HA -0.148 nan 4.350 nan 0.000 0.192 167 E C 1.210 177.776 176.600 -0.057 0.000 0.987 167 E CA 1.780 58.157 56.400 -0.038 0.000 0.841 167 E CB -0.139 29.532 29.700 -0.048 0.000 0.783 167 E HN -0.079 8.257 8.360 -0.039 0.000 0.481 168 N N -0.991 117.660 118.700 -0.082 0.000 2.354 168 N HA -0.083 nan 4.740 nan 0.000 0.179 168 N C 0.110 175.540 175.510 -0.133 0.000 1.021 168 N CA 1.548 54.535 53.050 -0.105 0.000 0.887 168 N CB 0.841 39.256 38.487 -0.121 0.000 0.974 168 N HN -0.566 7.763 8.380 -0.085 0.000 0.437 169 S N -1.613 113.999 115.700 -0.147 0.000 2.617 169 S HA 0.124 nan 4.470 nan 0.000 0.269 169 S C -0.991 173.499 174.600 -0.182 0.000 1.292 169 S CA 1.133 59.192 58.200 -0.235 0.000 1.010 169 S CB 1.232 64.224 63.200 -0.347 0.000 0.944 169 S HN -0.554 7.686 8.310 -0.117 0.000 0.536 170 I N 2.252 122.632 120.570 -0.316 0.000 2.474 170 I HA 0.123 nan 4.170 nan 0.000 0.294 170 I C -1.285 174.527 176.117 -0.508 0.000 1.005 170 I CA -0.790 60.319 61.300 -0.318 0.000 1.113 170 I CB 2.919 40.659 38.000 -0.433 0.000 1.289 170 I HN 0.143 8.112 8.210 -0.401 0.000 0.436 171 F N 6.348 126.042 119.950 -0.427 0.000 2.385 171 F HA 0.291 nan 4.527 nan 0.000 0.360 171 F C -0.498 175.127 175.800 -0.292 0.000 1.122 171 F CA -0.353 57.467 58.000 -0.301 0.000 1.090 171 F CB 0.101 38.978 39.000 -0.205 0.000 1.150 171 F HN 0.165 8.541 8.300 0.127 0.000 0.472 172 H N 2.947 122.025 119.070 0.014 0.000 2.399 172 H HA 0.144 nan 4.556 nan 0.000 0.300 172 H C -0.566 174.807 175.328 0.074 0.000 1.048 172 H CA 2.370 58.355 56.048 -0.104 0.000 1.370 172 H CB 2.429 31.986 29.762 -0.342 0.000 1.428 172 H HN 0.725 8.963 8.280 -0.071 0.000 0.534 173 M N -6.743 113.016 119.600 0.266 0.000 2.660 173 M HA 0.196 nan 4.480 nan 0.000 0.281 173 M C -3.007 173.252 176.300 -0.069 0.000 1.131 173 M CA -0.525 54.897 55.300 0.203 0.000 0.858 173 M CB 2.811 35.557 32.600 0.244 0.000 1.732 173 M HN -0.782 7.665 8.290 0.262 0.000 0.516 174 A N -0.101 122.502 122.820 -0.362 0.000 2.492 174 A HA 0.375 nan 4.320 nan 0.000 0.254 174 A C -1.503 175.897 177.584 -0.307 0.000 1.091 174 A CA 0.432 52.036 52.037 -0.721 0.000 0.768 174 A CB -0.407 18.327 19.000 -0.444 0.000 1.028 174 A HN 0.504 8.560 8.150 -0.158 0.000 0.498 175 A N 4.375 127.062 122.820 -0.221 0.000 2.582 175 A HA 0.538 nan 4.320 nan 0.000 0.297 175 A C -2.137 175.449 177.584 0.002 0.000 1.059 175 A CA 0.364 52.297 52.037 -0.174 0.000 0.705 175 A CB 2.388 21.340 19.000 -0.080 0.000 1.279 175 A HN 0.285 8.202 8.150 -0.196 0.116 0.404 176 W N -2.499 118.813 121.300 0.020 0.000 2.846 176 W HA 0.374 nan 4.660 nan 0.000 0.391 176 W C -1.641 174.908 176.519 0.050 0.000 1.011 176 W CA -2.023 55.338 57.345 0.027 0.000 1.832 176 W CB 1.299 30.775 29.460 0.026 0.000 1.151 176 W HN 0.780 8.625 8.180 -0.559 0.000 0.582 177 S N -0.650 115.211 115.700 0.267 0.000 2.533 177 S HA 0.352 nan 4.470 nan 0.000 0.271 177 S C -2.098 172.550 174.600 0.081 0.000 1.143 177 S CA 0.244 58.580 58.200 0.227 0.000 0.891 177 S CB 1.956 65.330 63.200 0.291 0.000 1.105 177 S HN -0.828 7.495 8.310 0.022 0.000 0.468 178 G N 1.881 110.739 108.800 0.097 0.000 2.682 178 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 -3.311 171.562 174.900 -0.044 0.000 1.425 178 G CA -0.641 44.502 45.100 0.071 0.000 0.807 178 G HN 0.298 8.992 8.290 0.122 -0.331 0.482 179 S N -2.438 113.217 115.700 -0.075 0.000 2.595 179 S HA 0.425 nan 4.470 nan 0.000 0.270 179 S C -2.557 171.957 174.600 -0.144 0.000 1.145 179 S CA -0.657 57.347 58.200 -0.326 0.000 0.825 179 S CB 1.705 64.729 63.200 -0.293 0.000 1.107 179 S HN 0.170 8.486 8.310 0.010 0.000 0.461 180 A N -0.414 122.295 122.820 -0.186 0.000 2.597 180 A HA 0.870 nan 4.320 nan 0.000 0.292 180 A C -2.226 175.385 177.584 0.045 0.000 1.057 180 A CA -0.285 51.650 52.037 -0.170 0.000 0.674 180 A CB 3.003 21.586 19.000 -0.696 0.000 1.278 180 A HN -0.058 7.927 8.150 -0.275 0.000 0.416 181 c N -3.324 115.359 118.600 0.139 0.000 3.307 181 c HA 0.571 nan 4.570 nan 0.000 0.333 181 c C -2.142 171.939 174.090 -0.015 0.000 1.291 181 c CA -1.316 55.110 56.329 0.161 0.000 1.273 181 c CB 3.364 45.919 42.510 0.075 0.000 1.580 181 c HN 0.436 8.710 8.230 0.073 0.000 0.481 182 H N 1.944 120.810 119.070 -0.339 0.000 2.469 182 H HA 0.494 nan 4.556 nan 0.000 0.342 182 H C -0.958 174.224 175.328 -0.243 0.000 1.115 182 H CA -0.115 55.560 56.048 -0.622 0.000 1.204 182 H CB 3.230 32.309 29.762 -1.138 0.000 1.492 182 H HN 0.498 8.756 8.280 -0.037 0.000 0.499 183 D N 2.180 122.361 120.400 -0.365 0.000 2.363 183 D HA 0.059 nan 4.640 nan 0.000 0.214 183 D C 0.539 176.914 176.300 0.125 0.000 1.093 183 D CA -1.169 52.800 54.000 -0.052 0.000 0.837 183 D CB 0.884 41.701 40.800 0.028 0.000 0.948 183 D HN -0.099 7.909 8.370 -0.604 0.000 0.507 184 G N -0.617 108.219 108.800 0.061 0.000 2.307 184 G HA2 -0.375 nan 3.960 nan 0.000 0.210 184 G HA3 -0.375 nan 3.960 nan 0.000 0.210 184 G C -0.416 174.537 174.900 0.087 0.000 1.005 184 G CA 0.735 45.942 45.100 0.178 0.000 0.634 184 G HN -0.299 7.781 8.290 -0.257 0.056 0.496 185 R N -0.818 119.633 120.500 -0.081 0.000 2.194 185 R HA 0.138 nan 4.340 nan 0.000 0.194 185 R C -0.910 175.232 176.300 -0.264 0.000 0.985 185 R CA 0.667 56.688 56.100 -0.131 0.000 1.104 185 R CB 2.330 32.532 30.300 -0.163 0.000 1.092 185 R HN 0.161 8.648 8.270 -0.016 -0.227 0.555 186 E N -1.277 118.583 120.200 -0.565 0.000 2.430 186 E HA 0.197 nan 4.350 nan 0.000 0.279 186 E C -2.666 173.422 176.600 -0.853 0.000 1.003 186 E CA -1.460 54.569 56.400 -0.618 0.000 0.801 186 E CB 3.069 32.322 29.700 -0.746 0.000 1.313 186 E HN -0.121 8.316 8.360 -0.483 -0.366 0.459 187 W N -0.407 120.615 121.300 -0.463 0.000 2.272 187 W HA 0.326 nan 4.660 nan 0.000 0.318 187 W C -0.326 175.827 176.519 -0.611 0.000 1.255 187 W CA -0.472 56.595 57.345 -0.464 0.000 1.200 187 W CB 1.240 30.402 29.460 -0.496 0.000 1.170 187 W HN 0.087 8.205 8.180 -0.103 0.000 0.549 188 T N 5.574 120.003 114.554 -0.209 0.000 2.794 188 T HA 0.694 nan 4.350 nan 0.000 0.280 188 T C -1.477 173.036 174.700 -0.313 0.000 0.987 188 T CA -0.136 61.900 62.100 -0.106 0.000 0.993 188 T CB 1.060 69.958 68.868 0.050 0.000 0.939 188 T HN 0.772 8.939 8.240 -0.121 0.000 0.449 189 Y N 4.918 125.248 120.300 0.050 0.000 2.409 189 Y HA 0.702 nan 4.550 nan 0.000 0.343 189 Y C -1.442 174.443 175.900 -0.026 0.000 0.973 189 Y CA -1.960 56.110 58.100 -0.050 0.000 1.064 189 Y CB 3.056 41.448 38.460 -0.114 0.000 1.207 189 Y HN 0.831 9.168 8.280 0.096 0.000 0.452 190 I N 2.304 122.924 120.570 0.084 0.000 2.465 190 I HA 0.561 nan 4.170 nan 0.000 0.291 190 I C -1.356 174.777 176.117 0.026 0.000 1.014 190 I CA -1.042 60.280 61.300 0.036 0.000 1.093 190 I CB 2.986 40.968 38.000 -0.031 0.000 1.267 190 I HN 0.672 8.914 8.210 0.053 0.000 0.431 191 G N 4.519 113.323 108.800 0.007 0.000 2.659 191 G HA2 0.693 nan 3.960 nan 0.000 0.296 191 G HA3 0.693 nan 3.960 nan 0.000 0.296 191 G C -3.018 171.792 174.900 -0.150 0.000 1.369 191 G CA -1.043 44.029 45.100 -0.047 0.000 0.937 191 G HN 0.306 8.607 8.290 0.017 0.000 0.485 192 V N 1.419 121.152 119.914 -0.301 0.000 2.540 192 V HA 0.808 nan 4.120 nan 0.000 0.302 192 V C -1.761 173.723 176.094 -1.016 0.000 1.035 192 V CA -2.043 59.933 62.300 -0.540 0.000 0.873 192 V CB 1.813 33.285 31.823 -0.584 0.000 0.992 192 V HN 0.377 8.405 8.190 -0.271 0.000 0.428 193 D N 3.608 123.492 120.400 -0.860 0.000 2.812 193 D HA 0.348 nan 4.640 nan 0.000 0.318 193 D C -1.600 174.490 176.300 -0.349 0.000 1.234 193 D CA -2.254 51.150 54.000 -0.995 0.000 0.989 193 D CB 3.361 43.866 40.800 -0.492 0.000 1.442 193 D HN 0.175 8.234 8.370 -0.518 0.000 0.537 194 G N -4.892 103.916 108.800 0.015 0.000 2.479 194 G HA2 -0.206 nan 3.960 nan 0.000 0.686 194 G HA3 -0.206 nan 3.960 nan 0.000 0.686 194 G C -2.853 172.233 174.900 0.309 0.000 1.295 194 G CA -0.934 44.241 45.100 0.125 0.000 0.922 194 G HN -0.025 8.327 8.290 0.103 0.000 0.582 195 P HA 0.171 nan 4.420 nan 0.000 0.269 195 P C 0.243 177.657 177.300 0.191 0.000 1.209 195 P CA -0.334 62.866 63.100 0.165 0.000 0.776 195 P CB 0.530 32.282 31.700 0.085 0.000 0.876 196 D N 2.776 123.242 120.400 0.111 0.000 2.149 196 D HA -0.373 nan 4.640 nan 0.000 0.194 196 D C 1.847 178.187 176.300 0.067 0.000 1.001 196 D CA 3.962 58.000 54.000 0.063 0.000 0.849 196 D CB -0.436 40.344 40.800 -0.035 0.000 0.939 196 D HN 0.579 8.990 8.370 0.068 0.000 0.449 197 S N -5.320 110.406 115.700 0.044 0.000 2.607 197 S HA -0.081 nan 4.470 nan 0.000 0.224 197 S C -0.123 174.496 174.600 0.030 0.000 0.969 197 S CA 1.498 59.713 58.200 0.026 0.000 0.927 197 S CB -0.167 63.041 63.200 0.014 0.000 0.772 197 S HN -0.157 8.177 8.310 0.039 0.000 0.533 198 N N -0.069 118.663 118.700 0.054 0.000 2.679 198 N HA 0.047 nan 4.740 nan 0.000 0.240 198 N C -2.063 173.482 175.510 0.059 0.000 1.537 198 N CA 0.402 53.473 53.050 0.035 0.000 0.793 198 N CB 0.994 39.485 38.487 0.007 0.000 1.391 198 N HN -0.428 7.821 8.380 0.086 0.183 0.524 199 A N -0.213 122.666 122.820 0.098 0.000 2.250 199 A HA 0.454 nan 4.320 nan 0.000 0.283 199 A C -2.462 175.138 177.584 0.026 0.000 1.206 199 A CA -0.741 51.353 52.037 0.095 0.000 0.840 199 A CB 2.372 21.495 19.000 0.206 0.000 1.220 199 A HN 0.337 8.547 8.150 0.100 0.000 0.505 200 L N -2.908 118.284 121.223 -0.050 0.000 2.543 200 L HA 0.481 nan 4.340 nan 0.000 0.265 200 L C -1.925 174.912 176.870 -0.054 0.000 0.945 200 L CA -0.451 54.387 54.840 -0.003 0.000 0.869 200 L CB 3.866 45.927 42.059 0.004 0.000 1.294 200 L HN 0.057 8.190 8.230 -0.162 0.000 0.405 201 I N 4.925 125.516 120.570 0.034 0.000 2.496 201 I HA 0.119 nan 4.170 nan 0.000 0.285 201 I C -1.166 174.971 176.117 0.033 0.000 1.080 201 I CA 0.027 61.336 61.300 0.015 0.000 1.404 201 I CB -0.729 37.316 38.000 0.074 0.000 1.403 201 I HN 0.407 8.688 8.210 0.117 0.000 0.539 202 K N 6.874 127.285 120.400 0.017 0.000 2.316 202 K HA 0.776 nan 4.320 nan 0.000 0.251 202 K C -1.658 175.002 176.600 0.100 0.000 0.934 202 K CA -1.320 55.012 56.287 0.074 0.000 0.802 202 K CB 3.422 35.972 32.500 0.083 0.000 1.171 202 K HN 0.751 8.992 8.250 -0.016 0.000 0.426 203 I N 2.493 123.140 120.570 0.128 0.000 2.509 203 I HA 0.622 nan 4.170 nan 0.000 0.293 203 I C -2.015 174.194 176.117 0.152 0.000 1.020 203 I CA -1.285 60.084 61.300 0.114 0.000 1.088 203 I CB 3.297 41.334 38.000 0.063 0.000 1.267 203 I HN 0.581 8.876 8.210 0.143 0.000 0.430 204 K N 5.381 125.870 120.400 0.149 0.000 2.378 204 K HA 0.674 nan 4.320 nan 0.000 0.252 204 K C -2.359 174.370 176.600 0.214 0.000 0.931 204 K CA -1.691 54.650 56.287 0.088 0.000 0.794 204 K CB 4.328 36.812 32.500 -0.026 0.000 1.181 204 K HN 0.565 8.915 8.250 0.167 0.000 0.425 205 Y N 6.459 126.781 120.300 0.037 0.000 2.345 205 Y HA 0.306 nan 4.550 nan 0.000 0.331 205 Y C -0.472 175.483 175.900 0.092 0.000 0.959 205 Y CA -1.374 56.750 58.100 0.041 0.000 1.204 205 Y CB 1.773 40.243 38.460 0.016 0.000 1.135 205 Y HN 0.529 8.918 8.280 0.183 0.000 0.477 206 G N 9.817 118.556 108.800 -0.102 0.000 2.591 206 G HA2 -0.529 nan 3.960 nan 0.000 0.298 206 G HA3 -0.529 nan 3.960 nan 0.000 0.298 206 G C -0.730 174.250 174.900 0.134 0.000 1.195 206 G CA 1.417 46.547 45.100 0.050 0.000 0.989 206 G HN 0.665 8.850 8.290 -0.176 0.000 0.551 207 E N 2.778 123.007 120.200 0.049 0.000 2.442 207 E HA 0.016 nan 4.350 nan 0.000 0.195 207 E C -0.616 175.929 176.600 -0.092 0.000 1.030 207 E CA 0.299 56.697 56.400 -0.005 0.000 0.869 207 E CB 0.417 30.133 29.700 0.026 0.000 0.857 207 E HN 0.250 8.635 8.360 0.041 0.000 0.505 208 A N 0.067 122.860 122.820 -0.045 0.000 2.301 208 A HA 0.288 nan 4.320 nan 0.000 0.312 208 A C -1.591 175.926 177.584 -0.112 0.000 1.182 208 A CA -0.709 51.310 52.037 -0.030 0.000 0.826 208 A CB 1.436 20.486 19.000 0.082 0.000 1.134 208 A HN -0.606 7.511 8.150 0.016 0.043 0.501 209 Y N 2.171 122.540 120.300 0.114 0.000 2.402 209 Y HA -0.070 nan 4.550 nan 0.000 0.333 209 Y C 0.318 176.273 175.900 0.093 0.000 1.076 209 Y CA 1.005 59.166 58.100 0.103 0.000 1.299 209 Y CB 0.185 38.690 38.460 0.076 0.000 1.197 209 Y HN 0.415 8.836 8.280 0.235 0.000 0.517 210 T N 0.059 114.722 114.554 0.182 0.000 2.955 210 T HA 0.192 nan 4.350 nan 0.000 0.251 210 T C -1.127 173.627 174.700 0.090 0.000 1.002 210 T CA -0.554 61.617 62.100 0.120 0.000 0.970 210 T CB 2.107 71.029 68.868 0.091 0.000 1.091 210 T HN 0.679 9.025 8.240 0.177 0.000 0.495 211 D N -0.185 120.275 120.400 0.100 0.000 2.710 211 D HA 0.206 nan 4.640 nan 0.000 0.276 211 D C -2.533 173.816 176.300 0.081 0.000 1.267 211 D CA -0.070 53.972 54.000 0.069 0.000 0.772 211 D CB 3.130 43.952 40.800 0.036 0.000 1.299 211 D HN -0.775 7.673 8.370 0.132 0.000 0.421 212 T N -4.081 110.512 114.554 0.064 0.000 2.843 212 T HA 0.583 nan 4.350 nan 0.000 0.302 212 T C -2.170 172.575 174.700 0.075 0.000 1.232 212 T CA -1.653 60.495 62.100 0.079 0.000 1.009 212 T CB 2.861 71.782 68.868 0.089 0.000 1.254 212 T HN -0.103 8.162 8.240 0.042 0.000 0.504 213 Y N 0.011 120.279 120.300 -0.053 0.000 2.457 213 Y HA 0.400 nan 4.550 nan 0.000 0.343 213 Y C -1.728 174.180 175.900 0.014 0.000 0.994 213 Y CA -1.147 56.892 58.100 -0.102 0.000 1.031 213 Y CB 4.074 42.503 38.460 -0.052 0.000 1.246 213 Y HN 0.164 8.550 8.280 0.176 0.000 0.449 214 H N 5.702 124.587 119.070 -0.308 0.000 2.488 214 H HA 0.381 nan 4.556 nan 0.000 0.347 214 H C -1.111 174.202 175.328 -0.024 0.000 1.174 214 H CA -1.488 54.480 56.048 -0.135 0.000 1.307 214 H CB 1.519 31.188 29.762 -0.155 0.000 1.517 214 H HN 0.290 7.983 8.280 -0.980 0.000 0.554 215 S N -0.318 115.466 115.700 0.141 0.000 2.537 215 S HA -0.144 nan 4.470 nan 0.000 0.286 215 S C -0.024 174.628 174.600 0.087 0.000 1.299 215 S CA 0.855 59.084 58.200 0.049 0.000 1.067 215 S CB 0.524 63.725 63.200 0.002 0.000 0.864 215 S HN 0.288 8.671 8.310 0.121 0.000 0.494 216 Y N 2.201 122.547 120.300 0.076 0.000 2.430 216 Y HA 0.311 nan 4.550 nan 0.000 0.248 216 Y C -1.028 174.910 175.900 0.064 0.000 1.108 216 Y CA -1.198 56.943 58.100 0.068 0.000 1.264 216 Y CB 0.164 38.682 38.460 0.097 0.000 1.172 216 Y HN 0.099 8.330 8.280 -0.474 -0.235 0.520 217 A N -2.179 120.530 122.820 -0.186 0.000 2.508 217 A HA 0.170 nan 4.320 nan 0.000 0.250 217 A C -0.717 176.827 177.584 -0.067 0.000 1.208 217 A CA -0.664 51.324 52.037 -0.082 0.000 0.960 217 A CB 1.308 20.220 19.000 -0.147 0.000 1.099 217 A HN -0.386 7.815 8.150 -0.476 -0.337 0.542 218 N N -3.018 115.639 118.700 -0.072 0.000 2.727 218 N HA -0.419 nan 4.740 nan 0.000 0.249 218 N C -1.544 173.951 175.510 -0.026 0.000 1.048 218 N CA 1.095 54.126 53.050 -0.031 0.000 0.714 218 N CB -0.722 37.761 38.487 -0.006 0.000 0.959 218 N HN -0.194 8.235 8.380 -0.107 -0.113 0.544 219 N N -1.458 117.213 118.700 -0.048 0.000 2.751 219 N HA 0.141 nan 4.740 nan 0.000 0.238 219 N C -1.342 174.152 175.510 -0.027 0.000 1.351 219 N CA -0.164 52.867 53.050 -0.032 0.000 0.751 219 N CB 0.973 39.438 38.487 -0.036 0.000 1.342 219 N HN -0.226 8.434 8.380 -0.090 -0.334 0.540 220 I N 0.656 121.242 120.570 0.026 0.000 7.474 220 I HA -0.530 nan 4.170 nan 0.000 0.126 220 I C -1.440 174.751 176.117 0.123 0.000 1.805 220 I CA 0.795 62.157 61.300 0.103 0.000 2.128 220 I CB -1.613 36.388 38.000 0.001 0.000 3.592 220 I HN 0.500 8.731 8.210 0.036 0.000 0.196 221 L N 4.400 125.694 121.223 0.119 0.000 2.525 221 L HA 0.020 nan 4.340 nan 0.000 0.278 221 L C -1.040 175.925 176.870 0.159 0.000 1.218 221 L CA 1.097 55.965 54.840 0.047 0.000 0.878 221 L CB 0.274 42.348 42.059 0.026 0.000 1.127 221 L HN -0.074 8.232 8.230 0.126 0.000 0.492 222 R N 2.006 122.559 120.500 0.087 0.000 2.728 222 R HA 0.526 nan 4.340 nan 0.000 0.274 222 R C -2.405 173.911 176.300 0.026 0.000 1.030 222 R CA -1.197 54.982 56.100 0.132 0.000 0.876 222 R CB 2.845 33.271 30.300 0.209 0.000 1.259 222 R HN 0.247 8.530 8.270 0.021 0.000 0.468 223 T N -2.661 111.904 114.554 0.018 0.000 2.565 223 T HA 0.512 nan 4.350 nan 0.000 0.266 223 T C 0.138 174.806 174.700 -0.053 0.000 0.905 223 T CA -1.332 60.733 62.100 -0.058 0.000 1.122 223 T CB 2.003 70.817 68.868 -0.090 0.000 1.437 223 T HN 0.302 8.586 8.240 0.074 0.000 0.506 224 Q N 0.481 120.212 119.800 -0.115 0.000 2.172 224 Q HA -0.176 nan 4.340 nan 0.000 0.200 224 Q C 0.732 176.674 176.000 -0.098 0.000 0.964 224 Q CA 2.885 58.616 55.803 -0.119 0.000 0.855 224 Q CB 0.605 29.241 28.738 -0.170 0.000 0.918 224 Q HN 0.448 8.628 8.270 -0.148 0.000 0.444 225 E N -5.495 114.620 120.200 -0.142 0.000 2.868 225 E HA -0.346 nan 4.350 nan 0.000 0.278 225 E C -1.338 175.049 176.600 -0.355 0.000 1.009 225 E CA 1.060 57.410 56.400 -0.084 0.000 0.856 225 E CB -2.564 27.268 29.700 0.220 0.000 1.428 225 E HN 0.103 8.374 8.360 -0.148 0.000 0.423 226 S N -5.379 109.863 115.700 -0.763 0.000 2.672 226 S HA 0.197 nan 4.470 nan 0.000 0.271 226 S C -1.926 172.146 174.600 -0.880 0.000 1.171 226 S CA -1.852 55.837 58.200 -0.852 0.000 0.817 226 S CB 3.017 66.144 63.200 -0.122 0.000 1.150 226 S HN -0.844 7.032 8.310 -0.672 0.031 0.478 227 A N -0.692 121.895 122.820 -0.390 0.000 2.540 227 A HA 0.046 nan 4.320 nan 0.000 0.239 227 A C -0.111 177.418 177.584 -0.092 0.000 1.061 227 A CA 0.325 52.288 52.037 -0.123 0.000 0.758 227 A CB 0.035 19.137 19.000 0.169 0.000 0.991 227 A HN 0.345 8.420 8.150 -0.125 0.000 0.502 228 c N 0.388 118.945 118.600 -0.072 0.000 2.560 228 c HA 0.312 nan 4.570 nan 0.000 0.334 228 c C -0.219 173.893 174.090 0.036 0.000 1.404 228 c CA -2.382 53.931 56.329 -0.026 0.000 2.410 228 c CB 0.196 42.687 42.510 -0.033 0.000 2.268 228 c HN -0.230 7.846 8.230 -0.074 0.109 0.673 229 N N -0.236 118.496 118.700 0.052 0.000 2.410 229 N HA 0.222 nan 4.740 nan 0.000 0.287 229 N C -1.579 174.076 175.510 0.242 0.000 1.044 229 N CA -0.007 53.095 53.050 0.086 0.000 0.881 229 N CB 3.522 41.842 38.487 -0.277 0.000 1.405 229 N HN -0.270 8.149 8.380 0.065 0.000 0.490 230 c N 1.593 120.374 118.600 0.303 0.000 2.411 230 c HA 0.417 nan 4.570 nan 0.000 0.330 230 c C -1.156 173.020 174.090 0.143 0.000 1.224 230 c CA -1.473 54.970 56.329 0.190 0.000 1.770 230 c CB 1.686 44.200 42.510 0.007 0.000 2.297 230 c HN 0.419 8.833 8.230 0.307 0.000 0.507 231 I N 3.010 123.567 120.570 -0.021 0.000 2.534 231 I HA 0.181 nan 4.170 nan 0.000 0.286 231 I C -0.605 175.189 176.117 -0.538 0.000 1.094 231 I CA -1.005 60.073 61.300 -0.370 0.000 1.055 231 I CB 3.140 40.999 38.000 -0.234 0.000 1.225 231 I HN 0.748 8.975 8.210 0.030 0.000 0.435 232 G N 8.980 117.190 108.800 -0.984 0.000 2.283 232 G HA2 -0.461 nan 3.960 nan 0.000 0.280 232 G HA3 -0.461 nan 3.960 nan 0.000 0.280 232 G C -0.344 173.889 174.900 -1.111 0.000 1.029 232 G CA 1.239 45.868 45.100 -0.785 0.000 0.840 232 G HN 0.959 8.476 8.290 -1.289 0.000 0.505 233 G N -2.736 105.340 108.800 -1.206 0.000 2.234 233 G HA2 -0.505 nan 3.960 nan 0.000 0.235 233 G HA3 -0.505 nan 3.960 nan 0.000 0.235 233 G C -0.800 173.605 174.900 -0.825 0.000 0.997 233 G CA -0.259 43.812 45.100 -1.715 0.000 0.623 233 G HN 0.227 8.032 8.290 -0.747 0.037 0.514 234 D N 3.365 123.444 120.400 -0.534 0.000 2.316 234 D HA 0.305 nan 4.640 nan 0.000 0.245 234 D C -0.996 175.156 176.300 -0.247 0.000 1.171 234 D CA -0.177 53.601 54.000 -0.371 0.000 0.856 234 D CB 0.295 40.939 40.800 -0.260 0.000 1.090 234 D HN -0.474 7.525 8.370 -0.501 0.070 0.476 235 c N 3.618 122.040 118.600 -0.296 0.000 2.391 235 c HA 0.494 nan 4.570 nan 0.000 0.339 235 c C -1.543 172.401 174.090 -0.243 0.000 1.205 235 c CA -1.187 55.057 56.329 -0.141 0.000 1.937 235 c CB 2.570 45.019 42.510 -0.102 0.000 2.341 235 c HN 0.885 8.908 8.230 -0.345 0.000 0.516 236 Y N 0.107 120.385 120.300 -0.036 0.000 2.425 236 Y HA 0.701 nan 4.550 nan 0.000 0.344 236 Y C -1.944 173.972 175.900 0.027 0.000 0.969 236 Y CA -0.885 57.215 58.100 0.001 0.000 1.052 236 Y CB 3.507 41.968 38.460 0.003 0.000 1.215 236 Y HN 0.484 8.830 8.280 0.110 0.000 0.451 237 L N 2.154 123.477 121.223 0.167 0.000 2.464 237 L HA 0.640 nan 4.340 nan 0.000 0.266 237 L C -2.516 174.190 176.870 -0.274 0.000 0.965 237 L CA -0.860 53.960 54.840 -0.032 0.000 0.833 237 L CB 4.846 46.835 42.059 -0.116 0.000 1.296 237 L HN 0.454 8.801 8.230 0.194 0.000 0.405 238 M N 6.091 125.379 119.600 -0.521 0.000 2.211 238 M HA 0.603 nan 4.480 nan 0.000 0.356 238 M C -1.641 174.357 176.300 -0.504 0.000 1.216 238 M CA 0.143 54.850 55.300 -0.987 0.000 1.134 238 M CB 1.137 33.233 32.600 -0.840 0.000 1.564 238 M HN 0.637 9.149 8.290 -0.294 -0.399 0.463 239 I N -2.045 118.255 120.570 -0.450 0.000 3.002 239 I HA 0.944 nan 4.170 nan 0.000 0.310 239 I C -2.313 173.726 176.117 -0.131 0.000 1.087 239 I CA -2.295 58.870 61.300 -0.225 0.000 1.017 239 I CB 3.749 41.644 38.000 -0.175 0.000 1.226 239 I HN 0.663 8.533 8.210 -0.566 0.000 0.443 240 T N 1.218 115.745 114.554 -0.045 0.000 2.821 240 T HA 0.502 nan 4.350 nan 0.000 0.306 240 T C -2.972 171.670 174.700 -0.098 0.000 1.313 240 T CA -0.654 61.438 62.100 -0.014 0.000 1.012 240 T CB 2.691 71.513 68.868 -0.075 0.000 1.298 240 T HN 0.253 8.466 8.240 -0.045 0.000 0.502 241 D N 1.421 121.705 120.400 -0.193 0.000 2.769 241 D HA 0.583 nan 4.640 nan 0.000 0.219 241 D C -2.258 173.907 176.300 -0.225 0.000 1.245 241 D CA -0.413 53.385 54.000 -0.336 0.000 0.801 241 D CB 3.450 43.715 40.800 -0.891 0.000 1.598 241 D HN -0.071 8.239 8.370 -0.101 0.000 0.485 242 G N 1.671 110.382 108.800 -0.148 0.000 2.361 242 G HA2 -0.136 nan 3.960 nan 0.000 0.331 242 G HA3 -0.136 nan 3.960 nan 0.000 0.331 242 G C -2.316 172.550 174.900 -0.057 0.000 1.324 242 G CA -0.168 44.881 45.100 -0.085 0.000 0.984 242 G HN 0.222 8.332 8.290 -0.132 0.101 0.586 243 S N -0.551 115.137 115.700 -0.019 0.000 2.533 243 S HA 0.084 nan 4.470 nan 0.000 0.282 243 S C 1.576 176.204 174.600 0.045 0.000 1.304 243 S CA -1.378 56.825 58.200 0.006 0.000 1.063 243 S CB 0.541 63.752 63.200 0.018 0.000 0.881 243 S HN -0.111 8.196 8.310 -0.005 0.000 0.493 244 A N 8.477 131.325 122.820 0.047 0.000 2.125 244 A HA -0.058 nan 4.320 nan 0.000 0.219 244 A C 0.514 178.130 177.584 0.053 0.000 1.156 244 A CA 2.295 54.395 52.037 0.103 0.000 0.671 244 A CB -0.333 18.692 19.000 0.041 0.000 0.794 244 A HN 0.693 8.852 8.150 0.016 0.000 0.459 245 S N -4.580 111.113 115.700 -0.011 0.000 2.554 245 S HA 0.297 nan 4.470 nan 0.000 0.226 245 S C -0.251 174.262 174.600 -0.146 0.000 0.980 245 S CA 0.313 58.453 58.200 -0.100 0.000 0.939 245 S CB 1.102 64.261 63.200 -0.067 0.000 0.832 245 S HN -0.487 7.776 8.310 0.005 0.050 0.486 246 G N 1.127 109.891 108.800 -0.061 0.000 3.255 246 G HA2 0.265 nan 3.960 nan 0.000 0.161 246 G HA3 0.265 nan 3.960 nan 0.000 0.161 246 G C -2.890 172.113 174.900 0.173 0.000 1.173 246 G CA 0.381 45.477 45.100 -0.008 0.000 1.106 246 G HN -0.523 7.632 8.290 0.040 0.159 0.650 247 I N 1.036 121.728 120.570 0.204 0.000 2.371 247 I HA 0.130 nan 4.170 nan 0.000 0.290 247 I C -1.599 174.547 176.117 0.047 0.000 1.028 247 I CA 0.691 62.113 61.300 0.203 0.000 1.345 247 I CB 0.679 38.783 38.000 0.173 0.000 1.407 247 I HN 0.017 8.321 8.210 0.156 0.000 0.501 248 S N 7.609 123.269 115.700 -0.066 0.000 2.496 248 S HA 0.318 nan 4.470 nan 0.000 0.221 248 S C -1.969 172.580 174.600 -0.085 0.000 1.260 248 S CA -0.795 57.291 58.200 -0.190 0.000 1.181 248 S CB 0.914 63.790 63.200 -0.540 0.000 1.136 248 S HN 0.671 8.990 8.310 0.016 0.000 0.467 249 K N 5.291 125.726 120.400 0.058 0.000 2.312 249 K HA 0.411 nan 4.320 nan 0.000 0.287 249 K C -1.024 175.645 176.600 0.115 0.000 1.062 249 K CA -0.547 55.800 56.287 0.100 0.000 0.934 249 K CB 0.981 33.568 32.500 0.145 0.000 1.027 249 K HN 0.054 8.364 8.250 0.099 0.000 0.478 250 C N 1.479 120.809 119.300 0.050 0.000 2.403 250 C HA 0.687 nan 4.460 nan 0.000 0.361 250 C C -0.319 174.633 174.990 -0.063 0.000 1.274 250 C CA -2.992 56.025 59.018 -0.001 0.000 2.433 250 C CB 1.404 29.102 27.740 -0.070 0.000 2.323 250 C HN 0.549 8.811 8.230 0.054 0.000 0.614 251 R N -2.852 117.533 120.500 -0.191 0.000 2.799 251 R HA 0.616 nan 4.340 nan 0.000 0.270 251 R C -2.002 174.103 176.300 -0.326 0.000 1.010 251 R CA -1.438 54.483 56.100 -0.299 0.000 0.916 251 R CB 4.704 34.645 30.300 -0.599 0.000 1.228 251 R HN 0.290 8.428 8.270 -0.220 0.000 0.469 252 F N -0.952 118.868 119.950 -0.215 0.000 2.495 252 F HA 0.767 nan 4.527 nan 0.000 0.327 252 F C -1.290 174.396 175.800 -0.190 0.000 1.103 252 F CA -1.107 56.810 58.000 -0.138 0.000 0.949 252 F CB 3.250 42.236 39.000 -0.024 0.000 1.142 252 F HN 0.478 8.804 8.300 0.044 0.000 0.457 253 L N 0.962 122.130 121.223 -0.091 0.000 2.317 253 L HA 0.652 nan 4.340 nan 0.000 0.281 253 L C -1.680 175.095 176.870 -0.158 0.000 1.024 253 L CA -1.223 53.505 54.840 -0.187 0.000 0.810 253 L CB 2.209 44.081 42.059 -0.311 0.000 1.240 253 L HN 0.910 9.081 8.230 -0.099 0.000 0.427 254 K N 3.587 123.845 120.400 -0.237 0.000 2.293 254 K HA 0.537 nan 4.320 nan 0.000 0.267 254 K C -1.816 174.580 176.600 -0.341 0.000 1.010 254 K CA -0.936 55.070 56.287 -0.467 0.000 0.875 254 K CB 1.764 34.005 32.500 -0.433 0.000 1.106 254 K HN 0.668 8.811 8.250 -0.180 0.000 0.450 255 I N 6.682 127.040 120.570 -0.354 0.000 2.465 255 I HA 0.618 nan 4.170 nan 0.000 0.291 255 I C -2.348 173.590 176.117 -0.297 0.000 1.014 255 I CA -1.306 59.839 61.300 -0.258 0.000 1.093 255 I CB 3.220 41.102 38.000 -0.196 0.000 1.267 255 I HN 0.861 8.695 8.210 -0.454 0.103 0.431 256 R N 5.106 125.435 120.500 -0.285 0.000 2.502 256 R HA 0.326 nan 4.340 nan 0.000 0.300 256 R C -0.451 175.617 176.300 -0.386 0.000 0.984 256 R CA -0.893 55.006 56.100 -0.335 0.000 0.882 256 R CB 2.630 32.757 30.300 -0.289 0.000 1.180 256 R HN 0.838 8.963 8.270 -0.243 0.000 0.444 257 E N 6.043 125.894 120.200 -0.582 0.000 2.328 257 E HA -0.426 nan 4.350 nan 0.000 0.233 257 E C -0.805 175.205 176.600 -0.983 0.000 1.219 257 E CA 0.963 56.683 56.400 -1.134 0.000 0.717 257 E CB -1.852 27.514 29.700 -0.557 0.000 1.210 257 E HN 1.106 9.159 8.360 -0.512 0.000 0.381 258 G N -6.831 101.579 108.800 -0.650 0.000 2.179 258 G HA2 -0.515 nan 3.960 nan 0.000 0.260 258 G HA3 -0.515 nan 3.960 nan 0.000 0.260 258 G C -0.864 173.958 174.900 -0.129 0.000 0.977 258 G CA 0.183 45.153 45.100 -0.217 0.000 0.641 258 G HN 0.528 8.459 8.290 -0.586 0.007 0.533 259 R N -0.670 119.730 120.500 -0.167 0.000 2.670 259 R HA 0.586 nan 4.340 nan 0.000 0.289 259 R C -1.173 175.062 176.300 -0.108 0.000 0.965 259 R CA -2.050 53.991 56.100 -0.098 0.000 0.899 259 R CB 2.949 33.199 30.300 -0.084 0.000 1.173 259 R HN -0.254 7.708 8.270 -0.239 0.165 0.456 260 I N 4.603 125.132 120.570 -0.068 0.000 2.452 260 I HA -0.075 nan 4.170 nan 0.000 0.287 260 I C 0.390 176.467 176.117 -0.066 0.000 1.079 260 I CA 1.937 63.193 61.300 -0.073 0.000 1.387 260 I CB 0.015 38.005 38.000 -0.016 0.000 1.404 260 I HN 0.265 8.800 8.210 -0.037 -0.347 0.522 261 I N 2.224 122.735 120.570 -0.099 0.000 4.139 261 I HA 0.335 nan 4.170 nan 0.000 0.335 261 I C -1.015 175.068 176.117 -0.057 0.000 1.327 261 I CA -0.623 60.630 61.300 -0.079 0.000 1.112 261 I CB 1.140 39.075 38.000 -0.108 0.000 1.058 261 I HN 0.743 8.869 8.210 -0.140 0.000 0.396 262 K N -0.516 119.848 120.400 -0.060 0.000 2.572 262 K HA 0.157 nan 4.320 nan 0.000 0.263 262 K C -2.745 173.852 176.600 -0.006 0.000 0.932 262 K CA -0.052 56.226 56.287 -0.014 0.000 0.838 262 K CB 3.676 36.165 32.500 -0.019 0.000 1.366 262 K HN -0.734 7.463 8.250 -0.088 0.000 0.425 263 E N 3.648 123.888 120.200 0.068 0.000 2.171 263 E HA 0.719 nan 4.350 nan 0.000 0.271 263 E C -0.872 175.815 176.600 0.146 0.000 0.916 263 E CA -1.138 55.294 56.400 0.053 0.000 0.774 263 E CB 2.436 32.229 29.700 0.154 0.000 1.128 263 E HN 0.207 8.633 8.360 0.110 0.000 0.403 264 I N 3.867 124.474 120.570 0.063 0.000 2.389 264 I HA 0.221 nan 4.170 nan 0.000 0.288 264 I C -1.451 174.716 176.117 0.085 0.000 0.999 264 I CA -0.917 60.483 61.300 0.167 0.000 1.129 264 I CB 2.801 40.901 38.000 0.166 0.000 1.288 264 I HN 0.837 9.017 8.210 -0.050 0.000 0.444 265 F N 7.703 127.682 119.950 0.049 0.000 2.334 265 F HA 0.332 nan 4.527 nan 0.000 0.367 265 F C -1.836 173.996 175.800 0.054 0.000 1.115 265 F CA -3.024 54.997 58.000 0.035 0.000 1.116 265 F CB -0.242 38.761 39.000 0.004 0.000 1.230 265 F HN 0.420 9.041 8.300 0.535 0.000 0.484 266 P HA 0.256 nan 4.420 nan 0.000 0.272 266 P C -1.483 175.893 177.300 0.127 0.000 1.230 266 P CA -0.465 62.724 63.100 0.148 0.000 0.788 266 P CB 0.635 32.430 31.700 0.159 0.000 0.949 267 T N 1.153 115.761 114.554 0.091 0.000 2.949 267 T HA 0.288 nan 4.350 nan 0.000 0.287 267 T C -0.217 174.495 174.700 0.020 0.000 1.034 267 T CA -1.400 60.734 62.100 0.057 0.000 1.018 267 T CB 2.481 71.377 68.868 0.046 0.000 1.135 267 T HN 0.297 8.592 8.240 0.090 0.000 0.532 268 G N 1.191 109.981 108.800 -0.017 0.000 2.601 268 G HA2 -0.314 nan 3.960 nan 0.000 0.224 268 G HA3 -0.314 nan 3.960 nan 0.000 0.224 268 G C -1.528 173.328 174.900 -0.073 0.000 1.171 268 G CA -0.129 44.922 45.100 -0.081 0.000 1.009 268 G HN -0.091 8.196 8.290 -0.005 0.000 0.589 269 R N 4.741 125.177 120.500 -0.107 0.000 2.296 269 R HA 0.217 nan 4.340 nan 0.000 0.327 269 R C -0.149 176.144 176.300 -0.011 0.000 1.137 269 R CA -0.399 55.655 56.100 -0.076 0.000 1.020 269 R CB -0.866 29.364 30.300 -0.117 0.000 1.110 269 R HN 0.291 8.360 8.270 -0.158 0.106 0.499 270 V N 1.011 120.935 119.914 0.017 0.000 3.427 270 V HA 0.389 nan 4.120 nan 0.000 0.305 270 V C 0.243 176.390 176.094 0.089 0.000 1.412 270 V CA -0.428 61.909 62.300 0.062 0.000 1.086 270 V CB -0.148 31.717 31.823 0.070 0.000 0.964 270 V HN -0.243 7.947 8.190 0.000 0.000 0.439 271 E N -0.780 119.471 120.200 0.086 0.000 2.160 271 E HA -0.261 nan 4.350 nan 0.000 0.195 271 E C -0.133 176.653 176.600 0.310 0.000 0.991 271 E CA 2.117 58.607 56.400 0.150 0.000 0.810 271 E CB 0.038 29.758 29.700 0.032 0.000 0.742 271 E HN 0.175 8.560 8.360 0.042 0.000 0.466 272 H N -4.002 115.183 119.070 0.191 0.000 3.235 272 H HA 0.296 nan 4.556 nan 0.000 0.324 272 H C -2.289 173.101 175.328 0.103 0.000 1.059 272 H CA -0.809 55.335 56.048 0.160 0.000 1.497 272 H CB 2.377 32.250 29.762 0.186 0.000 1.986 272 H HN -0.798 7.629 8.280 0.270 0.015 0.444 273 T N 9.131 123.733 114.554 0.080 0.000 2.937 273 T HA 0.548 nan 4.350 nan 0.000 0.297 273 T C -2.159 172.556 174.700 0.025 0.000 0.991 273 T CA -0.424 61.745 62.100 0.116 0.000 0.990 273 T CB 1.669 70.594 68.868 0.095 0.000 0.991 273 T HN 0.408 8.601 8.240 -0.079 0.000 0.440 274 E N 2.226 122.471 120.200 0.076 0.000 2.458 274 E HA 0.476 nan 4.350 nan 0.000 0.278 274 E C -1.032 175.576 176.600 0.014 0.000 1.004 274 E CA -2.159 54.251 56.400 0.016 0.000 0.823 274 E CB 3.505 33.227 29.700 0.037 0.000 1.396 274 E HN 0.708 9.152 8.360 0.140 0.000 0.463 275 E N -3.531 116.662 120.200 -0.012 0.000 2.238 275 E HA -0.469 nan 4.350 nan 0.000 0.219 275 E C -0.691 175.895 176.600 -0.022 0.000 1.275 275 E CA 0.706 57.088 56.400 -0.029 0.000 0.714 275 E CB -1.792 27.867 29.700 -0.069 0.000 1.154 275 E HN 0.479 8.832 8.360 -0.012 0.000 0.363 276 c N -1.620 116.967 118.600 -0.020 0.000 2.653 276 c HA -0.023 nan 4.570 nan 0.000 0.421 276 c C 0.427 174.546 174.090 0.047 0.000 1.334 276 c CA 0.775 57.117 56.329 0.022 0.000 1.885 276 c CB 0.024 42.560 42.510 0.043 0.000 2.645 276 c HN -0.424 7.775 8.230 -0.053 0.000 0.601 277 T N 7.171 121.790 114.554 0.109 0.000 2.743 277 T HA 0.257 nan 4.350 nan 0.000 0.292 277 T C -1.358 173.492 174.700 0.250 0.000 0.972 277 T CA 0.352 62.562 62.100 0.182 0.000 0.967 277 T CB 0.513 69.535 68.868 0.258 0.000 0.926 277 T HN 0.445 8.747 8.240 0.103 0.000 0.459 278 c N 5.631 124.334 118.600 0.172 0.000 2.529 278 c HA 0.932 nan 4.570 nan 0.000 0.329 278 c C -0.764 173.362 174.090 0.060 0.000 1.194 278 c CA -2.297 54.115 56.329 0.139 0.000 1.779 278 c CB 3.226 45.777 42.510 0.068 0.000 2.322 278 c HN 0.666 8.969 8.230 0.122 0.000 0.500 279 G N -0.286 108.525 108.800 0.018 0.000 2.660 279 G HA2 0.440 nan 3.960 nan 0.000 0.290 279 G HA3 0.440 nan 3.960 nan 0.000 0.290 279 G C -2.890 171.812 174.900 -0.330 0.000 1.432 279 G CA -0.490 44.566 45.100 -0.072 0.000 0.807 279 G HN 0.684 9.030 8.290 0.093 0.000 0.485 280 F N -0.608 119.222 119.950 -0.200 0.000 2.424 280 F HA 0.224 nan 4.527 nan 0.000 0.356 280 F C -0.212 175.197 175.800 -0.652 0.000 1.110 280 F CA -0.414 57.398 58.000 -0.314 0.000 1.161 280 F CB 0.437 39.341 39.000 -0.159 0.000 1.115 280 F HN 0.306 8.638 8.300 0.053 0.000 0.507 281 A N 6.027 128.551 122.820 -0.493 0.000 2.016 281 A HA 0.062 nan 4.320 nan 0.000 0.217 281 A C -0.769 176.758 177.584 -0.095 0.000 1.162 281 A CA 1.380 53.172 52.037 -0.407 0.000 0.662 281 A CB 0.592 19.511 19.000 -0.136 0.000 0.812 281 A HN 0.666 8.635 8.150 -0.302 0.000 0.450 282 S N -4.794 110.902 115.700 -0.007 0.000 2.671 282 S HA 0.033 nan 4.470 nan 0.000 0.270 282 S C -0.838 173.779 174.600 0.028 0.000 1.166 282 S CA -0.761 57.445 58.200 0.011 0.000 0.868 282 S CB 0.376 63.579 63.200 0.005 0.000 1.190 282 S HN -0.650 7.665 8.310 0.045 0.023 0.494 283 N N 0.094 118.787 118.700 -0.011 0.000 2.550 283 N HA -0.138 nan 4.740 nan 0.000 0.186 283 N C -0.086 175.439 175.510 0.025 0.000 1.110 283 N CA 1.772 54.810 53.050 -0.020 0.000 0.912 283 N CB -0.257 38.222 38.487 -0.012 0.000 0.968 283 N HN 0.306 8.676 8.380 -0.016 0.000 0.448 284 K N -1.190 119.224 120.400 0.023 0.000 2.348 284 K HA 0.100 nan 4.320 nan 0.000 0.194 284 K C -1.317 175.275 176.600 -0.013 0.000 1.052 284 K CA 0.995 57.286 56.287 0.008 0.000 1.004 284 K CB 1.894 34.392 32.500 -0.003 0.000 0.873 284 K HN -0.462 7.735 8.250 0.018 0.064 0.523 285 T N 0.249 114.802 114.554 -0.001 0.000 2.921 285 T HA 0.533 nan 4.350 nan 0.000 0.297 285 T C -1.798 172.839 174.700 -0.104 0.000 1.013 285 T CA -0.216 61.843 62.100 -0.069 0.000 0.990 285 T CB 2.672 71.502 68.868 -0.063 0.000 1.023 285 T HN -0.748 7.517 8.240 0.042 0.000 0.447 286 I N 5.182 125.599 120.570 -0.255 0.000 2.392 286 I HA 0.577 nan 4.170 nan 0.000 0.295 286 I C -1.788 174.178 176.117 -0.251 0.000 0.985 286 I CA -0.845 60.222 61.300 -0.387 0.000 1.221 286 I CB 1.770 39.417 38.000 -0.587 0.000 1.366 286 I HN 0.834 8.875 8.210 -0.282 0.000 0.467 287 E N 5.057 125.185 120.200 -0.120 0.000 2.277 287 E HA 0.759 nan 4.350 nan 0.000 0.266 287 E C -1.765 174.843 176.600 0.013 0.000 0.901 287 E CA -1.967 54.382 56.400 -0.085 0.000 0.782 287 E CB 4.142 33.928 29.700 0.143 0.000 1.228 287 E HN 0.596 8.895 8.360 -0.102 0.000 0.424 288 c N -0.113 118.290 118.600 -0.328 0.000 2.609 288 c HA 0.864 nan 4.570 nan 0.000 0.313 288 c C -1.512 172.255 174.090 -0.537 0.000 1.175 288 c CA -1.600 54.629 56.329 -0.165 0.000 1.434 288 c CB 3.467 45.989 42.510 0.021 0.000 2.005 288 c HN 0.405 8.235 8.230 -0.667 0.000 0.471 289 A N 2.759 125.349 122.820 -0.384 0.000 2.271 289 A HA 0.826 nan 4.320 nan 0.000 0.317 289 A C -1.623 175.947 177.584 -0.023 0.000 1.245 289 A CA -1.810 50.082 52.037 -0.242 0.000 0.857 289 A CB 1.287 20.148 19.000 -0.232 0.000 1.175 289 A HN 0.434 8.529 8.150 -0.091 0.000 0.512 290 c N 3.054 121.668 118.600 0.023 0.000 2.857 290 c HA 0.916 nan 4.570 nan 0.000 0.397 290 c C -1.283 172.835 174.090 0.047 0.000 1.558 290 c CA -2.119 54.236 56.329 0.044 0.000 1.694 290 c CB 4.541 47.090 42.510 0.065 0.000 2.120 290 c HN 0.852 9.108 8.230 0.044 0.000 0.475 291 R N 0.319 120.849 120.500 0.048 0.000 2.562 291 R HA 0.261 nan 4.340 nan 0.000 0.298 291 R C -2.717 173.639 176.300 0.093 0.000 0.961 291 R CA -0.960 55.163 56.100 0.038 0.000 0.881 291 R CB 3.040 33.340 30.300 -0.000 0.000 1.159 291 R HN 0.723 9.025 8.270 0.053 0.000 0.450 292 D N 5.860 126.274 120.400 0.023 0.000 2.414 292 D HA 0.157 nan 4.640 nan 0.000 0.232 292 D C -0.694 175.432 176.300 -0.289 0.000 1.070 292 D CA -1.405 52.551 54.000 -0.073 0.000 0.839 292 D CB 0.974 41.764 40.800 -0.015 0.000 1.079 292 D HN 0.326 8.694 8.370 -0.004 0.000 0.521 293 N N 6.088 124.447 118.700 -0.569 0.000 2.467 293 N HA -0.043 nan 4.740 nan 0.000 0.184 293 N C 0.426 175.648 175.510 -0.480 0.000 1.106 293 N CA 1.605 54.417 53.050 -0.398 0.000 0.892 293 N CB 1.243 39.625 38.487 -0.175 0.000 0.969 293 N HN -0.119 7.783 8.380 -0.797 0.000 0.454 294 S N 0.241 115.484 115.700 -0.763 0.000 2.748 294 S HA 0.156 nan 4.470 nan 0.000 0.241 294 S C 1.037 175.311 174.600 -0.542 0.000 1.064 294 S CA 1.928 59.690 58.200 -0.729 0.000 0.892 294 S CB 1.102 63.639 63.200 -1.106 0.000 0.810 294 S HN -0.061 7.926 8.310 -0.969 -0.259 0.555 295 Y N -3.739 116.451 120.300 -0.183 0.000 2.498 295 Y HA 0.192 nan 4.550 nan 0.000 0.259 295 Y C -0.227 175.604 175.900 -0.115 0.000 1.086 295 Y CA 0.318 58.350 58.100 -0.114 0.000 1.287 295 Y CB 1.676 40.091 38.460 -0.075 0.000 1.146 295 Y HN -0.290 8.120 8.280 -0.409 -0.375 0.523 296 T N -3.853 110.704 114.554 0.006 0.000 2.821 296 T HA 0.224 nan 4.350 nan 0.000 0.306 296 T C -2.009 172.639 174.700 -0.086 0.000 1.313 296 T CA -1.633 60.438 62.100 -0.049 0.000 1.012 296 T CB 2.529 71.381 68.868 -0.027 0.000 1.298 296 T HN -0.778 7.440 8.240 -0.037 0.000 0.502 297 A N 0.811 123.552 122.820 -0.131 0.000 2.303 297 A HA 0.366 nan 4.320 nan 0.000 0.217 297 A C -0.621 176.922 177.584 -0.069 0.000 1.205 297 A CA -0.164 51.806 52.037 -0.111 0.000 0.875 297 A CB 1.249 20.160 19.000 -0.148 0.000 0.910 297 A HN 0.518 8.557 8.150 -0.185 0.000 0.501 298 K N -0.069 120.281 120.400 -0.084 0.000 2.237 298 K HA -0.072 nan 4.320 nan 0.000 0.270 298 K C -0.924 175.687 176.600 0.018 0.000 1.015 298 K CA -0.092 56.199 56.287 0.007 0.000 0.949 298 K CB 0.549 33.047 32.500 -0.004 0.000 0.976 298 K HN -0.636 7.493 8.250 -0.127 0.044 0.472 299 R N 1.586 122.108 120.500 0.037 0.000 2.308 299 R HA 0.269 nan 4.340 nan 0.000 0.305 299 R C -2.068 174.299 176.300 0.112 0.000 1.053 299 R CA -2.710 53.426 56.100 0.061 0.000 0.957 299 R CB -0.076 30.260 30.300 0.060 0.000 1.022 299 R HN 0.252 8.539 8.270 0.028 0.000 0.461 300 P HA -0.078 nan 4.420 nan 0.000 0.262 300 P C -1.956 175.482 177.300 0.229 0.000 1.182 300 P CA 0.869 64.061 63.100 0.153 0.000 0.761 300 P CB 0.123 31.902 31.700 0.132 0.000 0.795 301 F N 5.423 125.473 119.950 0.166 0.000 2.499 301 F HA 0.473 nan 4.527 nan 0.000 0.333 301 F C -1.636 174.385 175.800 0.369 0.000 1.138 301 F CA -1.464 56.665 58.000 0.215 0.000 0.945 301 F CB 3.197 42.353 39.000 0.259 0.000 1.181 301 F HN 0.258 8.807 8.300 0.416 0.000 0.435 302 V N 8.967 128.877 119.914 -0.007 0.000 2.509 302 V HA 0.357 nan 4.120 nan 0.000 0.284 302 V C -1.288 174.780 176.094 -0.043 0.000 1.047 302 V CA -0.857 61.490 62.300 0.078 0.000 0.952 302 V CB 0.668 32.497 31.823 0.010 0.000 0.988 302 V HN 0.883 8.870 8.190 -0.338 0.000 0.469 303 K N 6.158 126.614 120.400 0.094 0.000 2.450 303 K HA 0.713 nan 4.320 nan 0.000 0.257 303 K C -2.094 174.442 176.600 -0.107 0.000 0.953 303 K CA -1.231 55.021 56.287 -0.059 0.000 0.844 303 K CB 2.378 34.803 32.500 -0.126 0.000 1.103 303 K HN 0.351 8.776 8.250 0.291 0.000 0.429 304 L N 4.718 125.799 121.223 -0.237 0.000 2.325 304 L HA 0.519 nan 4.340 nan 0.000 0.281 304 L C -2.581 174.136 176.870 -0.254 0.000 1.004 304 L CA -1.528 53.117 54.840 -0.325 0.000 0.823 304 L CB 3.069 44.767 42.059 -0.601 0.000 1.236 304 L HN 0.899 8.982 8.230 -0.245 0.000 0.415 305 N N 6.606 125.208 118.700 -0.163 0.000 2.406 305 N HA 0.221 nan 4.740 nan 0.000 0.251 305 N C 0.247 175.682 175.510 -0.126 0.000 1.069 305 N CA -0.135 52.848 53.050 -0.113 0.000 0.947 305 N CB 1.276 39.735 38.487 -0.048 0.000 1.111 305 N HN 0.452 8.754 8.380 -0.131 0.000 0.497 306 V N 6.109 125.932 119.914 -0.151 0.000 2.667 306 V HA -0.312 nan 4.120 nan 0.000 0.252 306 V C 0.609 176.709 176.094 0.011 0.000 1.065 306 V CA 2.995 65.212 62.300 -0.139 0.000 1.083 306 V CB -0.157 31.571 31.823 -0.159 0.000 0.692 306 V HN 0.637 8.750 8.190 -0.129 0.000 0.468 307 E N -3.216 116.987 120.200 0.005 0.000 2.112 307 E HA -0.124 nan 4.350 nan 0.000 0.190 307 E C 1.283 177.901 176.600 0.029 0.000 0.979 307 E CA 1.936 58.352 56.400 0.026 0.000 0.814 307 E CB 0.365 30.075 29.700 0.016 0.000 0.762 307 E HN 0.041 8.578 8.360 -0.016 -0.186 0.460 308 T N -8.124 106.442 114.554 0.020 0.000 3.040 308 T HA 0.211 nan 4.350 nan 0.000 0.250 308 T C 0.132 174.855 174.700 0.039 0.000 1.058 308 T CA -0.639 61.476 62.100 0.026 0.000 0.988 308 T CB 0.806 69.685 68.868 0.018 0.000 0.993 308 T HN -0.401 8.145 8.240 0.006 -0.303 0.519 309 D N 0.686 121.113 120.400 0.046 0.000 2.737 309 D HA -0.380 nan 4.640 nan 0.000 0.238 309 D C -1.343 174.991 176.300 0.056 0.000 1.157 309 D CA 1.425 55.472 54.000 0.078 0.000 0.694 309 D CB -1.711 39.160 40.800 0.119 0.000 1.021 309 D HN -0.053 8.289 8.370 0.035 0.049 0.420 310 T N -8.256 106.306 114.554 0.015 0.000 2.907 310 T HA 0.478 nan 4.350 nan 0.000 0.292 310 T C -2.503 172.183 174.700 -0.024 0.000 1.043 310 T CA -2.705 59.408 62.100 0.022 0.000 1.003 310 T CB 3.986 72.873 68.868 0.032 0.000 1.084 310 T HN -0.684 7.548 8.240 -0.013 0.000 0.483 311 A N 0.257 123.075 122.820 -0.004 0.000 2.498 311 A HA 0.879 nan 4.320 nan 0.000 0.298 311 A C -2.691 174.931 177.584 0.065 0.000 1.075 311 A CA -1.192 50.824 52.037 -0.034 0.000 0.714 311 A CB 3.118 22.022 19.000 -0.160 0.000 1.299 311 A HN 0.352 8.526 8.150 0.040 0.000 0.407 312 E N 0.440 120.724 120.200 0.139 0.000 2.314 312 E HA 0.891 nan 4.350 nan 0.000 0.272 312 E C -2.148 174.614 176.600 0.270 0.000 0.884 312 E CA -1.726 54.790 56.400 0.194 0.000 0.753 312 E CB 4.433 34.306 29.700 0.289 0.000 1.213 312 E HN 0.085 8.532 8.360 0.145 0.000 0.432 313 I N 3.521 124.144 120.570 0.089 0.000 2.509 313 I HA 0.693 nan 4.170 nan 0.000 0.293 313 I C -1.724 174.243 176.117 -0.250 0.000 1.020 313 I CA -1.149 60.206 61.300 0.092 0.000 1.088 313 I CB 2.624 40.684 38.000 0.100 0.000 1.267 313 I HN 0.699 8.907 8.210 -0.003 0.000 0.430 314 R N 3.377 123.627 120.500 -0.416 0.000 2.774 314 R HA 0.430 nan 4.340 nan 0.000 0.272 314 R C -1.813 174.345 176.300 -0.237 0.000 1.000 314 R CA -2.801 52.902 56.100 -0.662 0.000 0.906 314 R CB 4.243 33.649 30.300 -1.490 0.000 1.227 314 R HN 0.137 8.410 8.270 0.005 0.000 0.468 315 L N 1.397 122.539 121.223 -0.134 0.000 2.456 315 L HA 0.103 nan 4.340 nan 0.000 0.272 315 L C 0.018 176.928 176.870 0.067 0.000 1.189 315 L CA 0.188 55.032 54.840 0.007 0.000 0.846 315 L CB 0.365 42.412 42.059 -0.020 0.000 1.111 315 L HN 0.363 8.477 8.230 -0.193 0.000 0.475 316 M N 0.423 120.083 119.600 0.100 0.000 2.248 316 M HA -0.272 nan 4.480 nan 0.000 0.345 316 M C -0.148 176.152 176.300 0.000 0.000 1.243 316 M CA 1.482 56.793 55.300 0.019 0.000 1.090 316 M CB 0.326 32.883 32.600 -0.072 0.000 1.683 316 M HN 0.093 8.452 8.290 0.115 0.000 0.450 317 c N 4.871 123.460 118.600 -0.019 0.000 2.594 317 c HA 0.131 nan 4.570 nan 0.000 0.265 317 c C 0.388 174.457 174.090 -0.035 0.000 1.351 317 c CA -0.390 55.934 56.329 -0.008 0.000 1.744 317 c CB -0.775 41.733 42.510 -0.003 0.000 1.890 317 c HN 0.441 8.654 8.230 -0.029 0.000 0.551 318 T N 1.325 115.813 114.554 -0.111 0.000 2.946 318 T HA -0.142 nan 4.350 nan 0.000 0.311 318 T C 0.721 175.282 174.700 -0.232 0.000 1.063 318 T CA 1.521 63.512 62.100 -0.182 0.000 1.139 318 T CB 0.992 69.693 68.868 -0.279 0.000 0.994 318 T HN -0.294 7.861 8.240 -0.143 0.000 0.547 319 E N 4.051 124.071 120.200 -0.299 0.000 2.338 319 E HA -0.160 nan 4.350 nan 0.000 0.197 319 E C 1.376 177.405 176.600 -0.952 0.000 1.007 319 E CA 1.495 57.566 56.400 -0.549 0.000 0.849 319 E CB 0.004 29.514 29.700 -0.318 0.000 0.774 319 E HN -0.163 8.063 8.360 -0.224 0.000 0.506 320 T N 3.456 117.630 114.554 -0.633 0.000 3.842 320 T HA -0.045 nan 4.350 nan 0.000 0.267 320 T C -0.583 173.768 174.700 -0.582 0.000 1.173 320 T CA 0.343 62.069 62.100 -0.624 0.000 1.142 320 T CB -1.677 66.841 68.868 -0.583 0.000 1.191 320 T HN -0.679 7.254 8.240 -0.466 0.028 0.895 321 Y N 3.425 123.600 120.300 -0.208 0.000 2.620 321 Y HA -0.172 nan 4.550 nan 0.000 0.330 321 Y C 0.853 176.643 175.900 -0.184 0.000 1.186 321 Y CA -1.419 56.577 58.100 -0.173 0.000 1.467 321 Y CB -0.197 38.195 38.460 -0.114 0.000 1.262 321 Y HN -0.438 7.261 8.280 -1.130 -0.097 0.550 322 L N 2.200 123.401 121.223 -0.036 0.000 2.585 322 L HA 0.031 nan 4.340 nan 0.000 0.226 322 L C -0.045 176.821 176.870 -0.006 0.000 1.113 322 L CA 0.120 54.918 54.840 -0.070 0.000 0.876 322 L CB 0.139 42.132 42.059 -0.110 0.000 1.072 322 L HN 0.319 8.543 8.230 -0.010 0.000 0.468 323 D N -0.113 120.294 120.400 0.012 0.000 2.411 323 D HA 0.008 nan 4.640 nan 0.000 0.251 323 D C -1.732 174.567 176.300 -0.002 0.000 1.201 323 D CA 0.237 54.237 54.000 0.000 0.000 0.996 323 D CB 2.475 43.266 40.800 -0.016 0.000 1.101 323 D HN -0.769 7.620 8.370 0.033 0.000 0.504 324 T N 1.229 115.773 114.554 -0.017 0.000 2.937 324 T HA 0.479 nan 4.350 nan 0.000 0.297 324 T C -2.347 172.324 174.700 -0.048 0.000 0.991 324 T CA -2.887 59.196 62.100 -0.028 0.000 0.990 324 T CB 2.114 70.961 68.868 -0.036 0.000 0.991 324 T HN 0.162 8.389 8.240 -0.022 0.000 0.440 325 P HA 0.537 nan 4.420 nan 0.000 0.276 325 P C -1.712 175.567 177.300 -0.035 0.000 1.252 325 P CA -0.878 62.196 63.100 -0.043 0.000 0.802 325 P CB 1.021 32.692 31.700 -0.049 0.000 1.035 326 R N -3.591 116.898 120.500 -0.017 0.000 2.680 326 R HA 0.498 nan 4.340 nan 0.000 0.269 326 R C -2.637 173.668 176.300 0.008 0.000 1.026 326 R CA -3.090 53.008 56.100 -0.004 0.000 0.889 326 R CB 0.797 31.136 30.300 0.065 0.000 1.241 326 R HN 0.179 8.442 8.270 -0.012 0.000 0.463 327 P HA -0.046 nan 4.420 nan 0.000 0.286 327 P C -1.111 176.263 177.300 0.124 0.000 1.293 327 P CA -0.387 62.728 63.100 0.025 0.000 0.770 327 P CB 0.321 31.997 31.700 -0.039 0.000 1.206 328 D N -1.420 119.042 120.400 0.104 0.000 2.382 328 D HA -0.067 nan 4.640 nan 0.000 0.240 328 D C 0.149 176.547 176.300 0.163 0.000 1.146 328 D CA 0.021 54.080 54.000 0.098 0.000 0.897 328 D CB 0.617 41.448 40.800 0.052 0.000 1.197 328 D HN -0.000 8.410 8.370 0.067 0.000 0.432 329 D N 0.165 120.573 120.400 0.013 0.000 2.455 329 D HA -0.282 nan 4.640 nan 0.000 0.241 329 D C 0.960 177.194 176.300 -0.109 0.000 1.138 329 D CA 1.802 55.682 54.000 -0.200 0.000 0.877 329 D CB 0.102 40.758 40.800 -0.239 0.000 1.187 329 D HN -0.150 8.218 8.370 -0.005 0.000 0.451 330 G N 5.716 114.393 108.800 -0.205 0.000 2.189 330 G HA2 -0.414 nan 3.960 nan 0.000 0.267 330 G HA3 -0.414 nan 3.960 nan 0.000 0.267 330 G C 0.758 175.739 174.900 0.135 0.000 0.975 330 G CA 0.910 46.001 45.100 -0.014 0.000 0.644 330 G HN 0.045 7.834 8.290 -0.682 0.092 0.537 331 S N 0.503 116.338 115.700 0.224 0.000 2.522 331 S HA -0.142 nan 4.470 nan 0.000 0.227 331 S C 0.880 175.529 174.600 0.083 0.000 0.986 331 S CA 1.883 60.159 58.200 0.126 0.000 0.929 331 S CB 0.829 64.086 63.200 0.096 0.000 0.769 331 S HN -0.267 8.185 8.310 0.341 0.063 0.529 332 I N 5.067 125.700 120.570 0.106 0.000 2.308 332 I HA -0.052 nan 4.170 nan 0.000 0.293 332 I C -0.732 175.400 176.117 0.025 0.000 1.078 332 I CA -0.081 61.205 61.300 -0.024 0.000 1.292 332 I CB -0.542 37.344 38.000 -0.189 0.000 1.423 332 I HN -0.453 7.903 8.210 0.317 0.044 0.493 333 T N 6.894 121.450 114.554 0.003 0.000 2.904 333 T HA 0.174 nan 4.350 nan 0.000 0.290 333 T C -0.171 174.524 174.700 -0.008 0.000 1.018 333 T CA -0.435 61.668 62.100 0.005 0.000 1.075 333 T CB 0.678 69.546 68.868 -0.001 0.000 0.986 333 T HN -0.035 8.201 8.240 -0.007 0.000 0.523 334 G N 1.246 110.043 108.800 -0.005 0.000 2.434 334 G HA2 -0.076 nan 3.960 nan 0.000 0.671 334 G HA3 -0.076 nan 3.960 nan 0.000 0.671 334 G C -2.764 172.129 174.900 -0.011 0.000 1.280 334 G CA -1.179 43.913 45.100 -0.013 0.000 0.975 334 G HN -0.171 8.119 8.290 0.001 0.000 0.510 335 P HA 0.203 nan 4.420 nan 0.000 0.270 335 P C 0.671 177.960 177.300 -0.018 0.000 1.227 335 P CA -0.909 62.181 63.100 -0.017 0.000 0.788 335 P CB 0.736 32.422 31.700 -0.024 0.000 0.926 336 c N -0.054 118.536 118.600 -0.016 0.000 2.403 336 c HA -0.257 nan 4.570 nan 0.000 0.282 336 c C 2.474 176.544 174.090 -0.034 0.000 1.297 336 c CA 2.428 58.749 56.329 -0.014 0.000 1.785 336 c CB -1.192 41.312 42.510 -0.009 0.000 1.963 336 c HN 0.416 8.639 8.230 -0.013 0.000 0.507 337 E N -1.859 118.310 120.200 -0.052 0.000 2.482 337 E HA -0.155 nan 4.350 nan 0.000 0.196 337 E C -0.219 176.341 176.600 -0.066 0.000 1.047 337 E CA 0.584 56.942 56.400 -0.070 0.000 0.869 337 E CB -0.521 29.129 29.700 -0.083 0.000 0.836 337 E HN 0.165 8.479 8.360 -0.049 0.017 0.520 338 S N 2.161 117.828 115.700 -0.056 0.000 2.525 338 S HA -0.060 nan 4.470 nan 0.000 0.285 338 S C 0.988 175.540 174.600 -0.080 0.000 1.283 338 S CA 1.444 59.606 58.200 -0.063 0.000 1.072 338 S CB 0.255 63.423 63.200 -0.053 0.000 0.867 338 S HN -0.052 8.091 8.310 -0.046 0.140 0.492 339 N N 5.227 123.879 118.700 -0.081 0.000 2.171 339 N HA -0.203 nan 4.740 nan 0.000 0.184 339 N C 0.069 175.508 175.510 -0.119 0.000 1.021 339 N CA 2.197 55.198 53.050 -0.082 0.000 0.854 339 N CB 0.345 38.803 38.487 -0.049 0.000 0.994 339 N HN 0.497 8.831 8.380 -0.076 0.000 0.426 340 G N -2.114 106.619 108.800 -0.112 0.000 2.698 340 G HA2 -0.465 nan 3.960 nan 0.000 0.233 340 G HA3 -0.465 nan 3.960 nan 0.000 0.233 340 G C -1.963 172.867 174.900 -0.116 0.000 1.352 340 G CA -0.136 44.881 45.100 -0.139 0.000 0.879 340 G HN -0.183 8.055 8.290 -0.087 0.000 0.567 341 D N 0.250 120.570 120.400 -0.133 0.000 2.332 341 D HA 0.054 nan 4.640 nan 0.000 0.252 341 D C -0.316 175.919 176.300 -0.107 0.000 1.050 341 D CA -0.990 52.951 54.000 -0.097 0.000 0.970 341 D CB 1.005 41.759 40.800 -0.077 0.000 1.141 341 D HN -0.102 8.164 8.370 -0.173 0.000 0.485 342 K N -0.369 119.984 120.400 -0.077 0.000 3.077 342 K HA -0.258 nan 4.320 nan 0.000 0.264 342 K C -0.229 176.318 176.600 -0.088 0.000 1.008 342 K CA 0.653 56.895 56.287 -0.074 0.000 0.740 342 K CB -1.534 30.926 32.500 -0.066 0.000 1.273 342 K HN 0.387 8.600 8.250 -0.063 0.000 0.477 343 G N -4.153 104.596 108.800 -0.085 0.000 2.430 343 G HA2 -0.213 nan 3.960 nan 0.000 0.216 343 G HA3 -0.213 nan 3.960 nan 0.000 0.216 343 G C -1.068 173.762 174.900 -0.117 0.000 1.146 343 G CA -0.151 44.895 45.100 -0.091 0.000 0.793 343 G HN 0.299 8.535 8.290 -0.072 0.010 0.537 344 R N -0.368 120.065 120.500 -0.112 0.000 2.489 344 R HA -0.229 nan 4.340 nan 0.000 0.287 344 R C 0.281 176.513 176.300 -0.112 0.000 1.053 344 R CA 0.037 56.057 56.100 -0.133 0.000 1.036 344 R CB -0.318 29.919 30.300 -0.106 0.000 0.966 344 R HN -0.726 7.490 8.270 -0.090 0.000 0.432 345 G N 5.079 113.805 108.800 -0.123 0.000 2.710 345 G HA2 -0.294 nan 3.960 nan 0.000 0.668 345 G HA3 -0.294 nan 3.960 nan 0.000 0.668 345 G C -2.421 172.425 174.900 -0.090 0.000 1.320 345 G CA -0.691 44.355 45.100 -0.090 0.000 0.860 345 G HN 0.615 8.733 8.290 -0.154 0.079 0.538 346 G N -3.669 105.096 108.800 -0.058 0.000 2.322 346 G HA2 0.394 nan 3.960 nan 0.000 0.295 346 G HA3 0.394 nan 3.960 nan 0.000 0.295 346 G C -3.065 171.824 174.900 -0.018 0.000 1.369 346 G CA -0.152 44.920 45.100 -0.047 0.000 0.821 346 G HN -0.333 7.929 8.290 -0.046 0.000 0.536 347 I N -2.208 118.344 120.570 -0.029 0.000 2.841 347 I HA 0.324 nan 4.170 nan 0.000 0.298 347 I C -2.345 173.678 176.117 -0.157 0.000 1.304 347 I CA -1.699 59.581 61.300 -0.034 0.000 1.019 347 I CB 4.272 42.289 38.000 0.028 0.000 1.282 347 I HN 0.526 8.993 8.210 -0.037 -0.280 0.432 348 K N 6.423 126.532 120.400 -0.484 0.000 2.401 348 K HA 0.009 nan 4.320 nan 0.000 0.278 348 K C -1.149 175.394 176.600 -0.096 0.000 1.018 348 K CA 0.698 56.752 56.287 -0.388 0.000 0.981 348 K CB 1.055 33.111 32.500 -0.739 0.000 0.933 348 K HN 0.399 8.067 8.250 -0.971 0.000 0.477 349 G N 3.014 111.828 108.800 0.024 0.000 2.448 349 G HA2 0.479 nan 3.960 nan 0.000 0.324 349 G HA3 0.479 nan 3.960 nan 0.000 0.324 349 G C -1.798 173.217 174.900 0.192 0.000 1.203 349 G CA -1.619 43.548 45.100 0.113 0.000 0.954 349 G HN 0.091 8.395 8.290 0.023 0.000 0.480 350 G N 0.660 109.581 108.800 0.201 0.000 2.467 350 G HA2 0.082 nan 3.960 nan 0.000 0.257 350 G HA3 0.082 nan 3.960 nan 0.000 0.257 350 G C -2.387 172.698 174.900 0.308 0.000 1.227 350 G CA -0.928 44.300 45.100 0.215 0.000 0.835 350 G HN -0.292 8.101 8.290 0.172 0.000 0.556 351 F N 2.640 122.622 119.950 0.054 0.000 2.639 351 F HA 0.392 nan 4.527 nan 0.000 0.326 351 F C -2.659 173.094 175.800 -0.079 0.000 1.150 351 F CA -0.787 57.165 58.000 -0.080 0.000 1.057 351 F CB 2.580 41.564 39.000 -0.026 0.000 1.300 351 F HN -0.186 8.262 8.300 0.246 0.000 0.486 352 V N 5.277 124.820 119.914 -0.619 0.000 3.120 352 V HA 0.447 nan 4.120 nan 0.000 0.303 352 V C -2.609 173.160 176.094 -0.543 0.000 1.238 352 V CA -1.937 60.063 62.300 -0.501 0.000 1.008 352 V CB 4.772 36.530 31.823 -0.107 0.000 1.064 352 V HN 0.594 8.467 8.190 -0.529 0.000 0.434 353 H N 5.374 124.284 119.070 -0.266 0.000 2.463 353 H HA 0.636 nan 4.556 nan 0.000 0.332 353 H C -1.432 173.938 175.328 0.071 0.000 1.127 353 H CA -1.272 54.720 56.048 -0.094 0.000 1.238 353 H CB 1.894 31.604 29.762 -0.085 0.000 1.478 353 H HN 0.466 8.713 8.280 -0.054 0.000 0.499 354 Q N 3.339 123.321 119.800 0.304 0.000 2.381 354 Q HA 0.221 nan 4.340 nan 0.000 0.263 354 Q C -1.136 175.014 176.000 0.250 0.000 1.030 354 Q CA -1.578 54.403 55.803 0.296 0.000 0.772 354 Q CB 1.464 30.500 28.738 0.496 0.000 1.232 354 Q HN 0.742 9.192 8.270 0.299 0.000 0.476 355 R N 7.421 128.027 120.500 0.177 0.000 2.198 355 R HA 0.546 nan 4.340 nan 0.000 0.339 355 R C -0.903 175.466 176.300 0.115 0.000 1.020 355 R CA -0.533 55.648 56.100 0.136 0.000 0.864 355 R CB 1.107 31.461 30.300 0.090 0.000 1.105 355 R HN 0.854 9.213 8.270 0.148 0.000 0.463 356 M N 4.182 123.854 119.600 0.120 0.000 2.706 356 M HA 0.165 nan 4.480 nan 0.000 0.304 356 M C 0.133 176.469 176.300 0.060 0.000 1.217 356 M CA -0.707 54.646 55.300 0.089 0.000 0.922 356 M CB 2.062 34.719 32.600 0.095 0.000 1.637 356 M HN 0.564 8.935 8.290 0.135 0.000 0.492 357 A N 1.633 124.477 122.820 0.040 0.000 1.908 357 A HA -0.184 nan 4.320 nan 0.000 0.218 357 A C 0.904 178.503 177.584 0.025 0.000 1.181 357 A CA 2.731 54.783 52.037 0.025 0.000 0.627 357 A CB -0.714 18.295 19.000 0.015 0.000 0.818 357 A HN 0.421 8.593 8.150 0.037 0.000 0.445 358 S N -3.870 111.846 115.700 0.027 0.000 2.512 358 S HA 0.052 nan 4.470 nan 0.000 0.216 358 S C -0.515 174.109 174.600 0.039 0.000 1.006 358 S CA -0.128 58.087 58.200 0.024 0.000 0.915 358 S CB 0.948 64.155 63.200 0.012 0.000 0.824 358 S HN -0.034 8.292 8.310 0.026 0.000 0.497 359 K N -0.732 119.706 120.400 0.062 0.000 2.533 359 K HA 0.429 nan 4.320 nan 0.000 0.272 359 K C -2.642 174.052 176.600 0.157 0.000 0.985 359 K CA -1.547 54.799 56.287 0.098 0.000 0.876 359 K CB 2.519 35.069 32.500 0.084 0.000 1.452 359 K HN -0.844 7.341 8.250 0.065 0.105 0.439 360 I N 0.170 120.860 120.570 0.199 0.000 2.447 360 I HA 0.470 nan 4.170 nan 0.000 0.287 360 I C -1.886 174.365 176.117 0.222 0.000 1.023 360 I CA -1.925 59.502 61.300 0.212 0.000 1.083 360 I CB 3.171 41.273 38.000 0.170 0.000 1.245 360 I HN 0.338 8.980 8.210 0.189 -0.319 0.434 361 G N 8.226 117.147 108.800 0.202 0.000 2.338 361 G HA2 0.584 nan 3.960 nan 0.000 0.298 361 G HA3 0.584 nan 3.960 nan 0.000 0.298 361 G C -2.055 172.741 174.900 -0.173 0.000 1.140 361 G CA -1.228 43.739 45.100 -0.221 0.000 0.860 361 G HN 0.909 9.258 8.290 0.274 0.105 0.470 362 R N 5.032 125.327 120.500 -0.342 0.000 2.310 362 R HA 0.563 nan 4.340 nan 0.000 0.324 362 R C -1.228 174.770 176.300 -0.503 0.000 0.955 362 R CA -1.323 54.600 56.100 -0.294 0.000 0.830 362 R CB 2.329 32.611 30.300 -0.029 0.000 1.154 362 R HN 0.783 8.787 8.270 -0.443 0.000 0.458 363 W N 5.141 126.130 121.300 -0.518 0.000 2.433 363 W HA 0.411 nan 4.660 nan 0.000 0.315 363 W C -1.020 175.234 176.519 -0.442 0.000 1.087 363 W CA -0.698 56.397 57.345 -0.418 0.000 1.205 363 W CB 1.791 30.988 29.460 -0.438 0.000 1.288 363 W HN 0.702 8.767 8.180 -0.191 0.000 0.504 364 Y N 1.662 122.071 120.300 0.182 0.000 2.545 364 Y HA 0.406 nan 4.550 nan 0.000 0.348 364 Y C -1.428 174.549 175.900 0.128 0.000 1.002 364 Y CA -1.774 56.433 58.100 0.179 0.000 1.039 364 Y CB 4.116 42.652 38.460 0.127 0.000 1.271 364 Y HN 0.957 9.405 8.280 0.280 0.000 0.467 365 S N 0.190 116.051 115.700 0.269 0.000 2.566 365 S HA 0.920 nan 4.470 nan 0.000 0.298 365 S C -1.401 173.304 174.600 0.175 0.000 1.083 365 S CA -1.487 56.821 58.200 0.180 0.000 0.978 365 S CB 2.713 65.959 63.200 0.076 0.000 1.073 365 S HN 0.103 8.584 8.310 0.284 0.000 0.491 366 R N -1.948 118.653 120.500 0.168 0.000 2.739 366 R HA 0.597 nan 4.340 nan 0.000 0.271 366 R C -0.570 175.799 176.300 0.115 0.000 1.010 366 R CA -1.605 54.565 56.100 0.116 0.000 0.897 366 R CB 3.335 33.670 30.300 0.059 0.000 1.236 366 R HN 0.355 8.742 8.270 0.196 0.000 0.466 367 T N -3.911 110.693 114.554 0.083 0.000 2.903 367 T HA 0.123 nan 4.350 nan 0.000 0.314 367 T C 0.934 175.685 174.700 0.084 0.000 1.078 367 T CA 0.153 62.296 62.100 0.073 0.000 1.114 367 T CB 0.714 69.606 68.868 0.039 0.000 0.987 367 T HN 0.489 8.769 8.240 0.066 0.000 0.548 368 M N 2.909 122.556 119.600 0.079 0.000 2.123 368 M HA -0.229 nan 4.480 nan 0.000 0.263 368 M C 0.191 176.528 176.300 0.061 0.000 1.069 368 M CA 2.920 58.271 55.300 0.085 0.000 1.133 368 M CB 0.775 33.419 32.600 0.073 0.000 1.356 368 M HN -0.000 8.222 8.290 0.069 0.110 0.415 369 S N -1.749 113.976 115.700 0.041 0.000 2.576 369 S HA -0.105 nan 4.470 nan 0.000 0.276 369 S C 0.824 175.435 174.600 0.019 0.000 1.339 369 S CA -0.475 57.740 58.200 0.025 0.000 1.039 369 S CB 0.806 64.014 63.200 0.013 0.000 0.902 369 S HN -0.559 7.775 8.310 0.041 0.000 0.516 370 K N 5.139 125.548 120.400 0.015 0.000 2.366 370 K HA -0.134 nan 4.320 nan 0.000 0.198 370 K C 0.761 177.358 176.600 -0.006 0.000 1.044 370 K CA 2.869 59.163 56.287 0.012 0.000 0.973 370 K CB 0.045 32.556 32.500 0.018 0.000 0.767 370 K HN 0.699 8.958 8.250 0.016 0.000 0.475 371 T N -9.144 105.401 114.554 -0.016 0.000 2.954 371 T HA 0.260 nan 4.350 nan 0.000 0.252 371 T C 0.011 174.679 174.700 -0.053 0.000 0.983 371 T CA 0.039 62.120 62.100 -0.032 0.000 0.941 371 T CB 0.928 69.781 68.868 -0.025 0.000 1.141 371 T HN -0.495 7.700 8.240 -0.010 0.039 0.500 372 E N 1.478 121.647 120.200 -0.052 0.000 2.320 372 E HA 0.303 nan 4.350 nan 0.000 0.264 372 E C -1.334 175.200 176.600 -0.111 0.000 0.923 372 E CA -2.343 54.009 56.400 -0.081 0.000 0.796 372 E CB 2.752 32.428 29.700 -0.038 0.000 1.262 372 E HN -0.330 8.011 8.360 -0.032 0.000 0.428 373 R N 1.204 121.576 120.500 -0.213 0.000 4.138 373 R HA 0.041 nan 4.340 nan 0.000 0.206 373 R C -1.323 174.953 176.300 -0.040 0.000 1.667 373 R CA -0.363 55.570 56.100 -0.279 0.000 1.481 373 R CB -0.731 29.008 30.300 -0.936 0.000 1.388 373 R HN 0.688 8.806 8.270 -0.252 0.000 0.776 374 M N 0.479 120.092 119.600 0.021 0.000 2.393 374 M HA 0.454 nan 4.480 nan 0.000 0.299 374 M C -0.642 175.700 176.300 0.070 0.000 1.103 374 M CA -2.180 53.165 55.300 0.074 0.000 0.910 374 M CB 3.282 35.915 32.600 0.056 0.000 1.659 374 M HN -0.105 8.137 8.290 -0.003 0.045 0.445 375 G N 4.654 113.503 108.800 0.082 0.000 2.860 375 G HA2 -0.383 nan 3.960 nan 0.000 0.553 375 G HA3 -0.383 nan 3.960 nan 0.000 0.553 375 G C -2.419 172.521 174.900 0.067 0.000 1.439 375 G CA 0.018 45.158 45.100 0.066 0.000 0.879 375 G HN 0.622 8.970 8.290 0.096 0.000 0.545 376 M N 1.710 121.335 119.600 0.041 0.000 2.307 376 M HA 0.243 nan 4.480 nan 0.000 0.279 376 M C -2.657 173.625 176.300 -0.029 0.000 1.080 376 M CA -0.023 55.292 55.300 0.025 0.000 0.964 376 M CB 3.658 36.264 32.600 0.011 0.000 1.825 376 M HN 0.192 8.412 8.290 0.027 0.086 0.489 377 E N 3.646 123.842 120.200 -0.007 0.000 2.244 377 E HA 0.846 nan 4.350 nan 0.000 0.266 377 E C -2.043 174.448 176.600 -0.180 0.000 0.914 377 E CA -1.970 54.350 56.400 -0.134 0.000 0.794 377 E CB 4.083 33.726 29.700 -0.095 0.000 1.210 377 E HN 0.700 9.100 8.360 0.066 0.000 0.414 378 L N 0.388 121.357 121.223 -0.423 0.000 2.325 378 L HA 0.714 nan 4.340 nan 0.000 0.278 378 L C -1.875 174.695 176.870 -0.500 0.000 1.023 378 L CA -0.926 53.734 54.840 -0.301 0.000 0.811 378 L CB 2.563 44.453 42.059 -0.281 0.000 1.249 378 L HN 0.391 8.271 8.230 -0.584 0.000 0.431 379 Y N 1.518 121.768 120.300 -0.085 0.000 2.553 379 Y HA 0.608 nan 4.550 nan 0.000 0.347 379 Y C -2.281 173.540 175.900 -0.131 0.000 1.019 379 Y CA -0.959 57.084 58.100 -0.095 0.000 1.032 379 Y CB 4.177 42.607 38.460 -0.050 0.000 1.284 379 Y HN 0.559 8.943 8.280 0.174 0.000 0.466 380 V N 0.717 120.532 119.914 -0.165 0.000 3.049 380 V HA 0.806 nan 4.120 nan 0.000 0.309 380 V C -2.837 173.036 176.094 -0.368 0.000 1.148 380 V CA -1.926 60.024 62.300 -0.583 0.000 0.990 380 V CB 4.598 35.531 31.823 -1.483 0.000 1.039 380 V HN 0.668 8.801 8.190 -0.095 0.000 0.430 381 R N 5.169 125.417 120.500 -0.420 0.000 2.533 381 R HA 0.435 nan 4.340 nan 0.000 0.288 381 R C -2.586 173.471 176.300 -0.404 0.000 1.039 381 R CA -1.419 54.523 56.100 -0.262 0.000 0.909 381 R CB 4.195 34.453 30.300 -0.071 0.000 1.195 381 R HN 0.200 8.160 8.270 -0.516 0.000 0.438 382 Y N 5.857 126.107 120.300 -0.084 0.000 2.323 382 Y HA 0.224 nan 4.550 nan 0.000 0.331 382 Y C -0.272 175.618 175.900 -0.017 0.000 1.092 382 Y CA 0.605 58.676 58.100 -0.049 0.000 1.150 382 Y CB 0.594 39.028 38.460 -0.044 0.000 1.200 382 Y HN 0.222 8.517 8.280 0.025 0.000 0.472 383 D N 1.290 121.768 120.400 0.130 0.000 3.565 383 D HA -0.433 nan 4.640 nan 0.000 0.257 383 D C 0.430 176.749 176.300 0.033 0.000 1.938 383 D CA 1.490 55.541 54.000 0.084 0.000 1.130 383 D CB -0.126 40.727 40.800 0.089 0.000 0.859 383 D HN 0.589 9.049 8.370 0.150 0.000 1.039 384 G N -2.457 106.353 108.800 0.016 0.000 2.741 384 G HA2 -0.380 nan 3.960 nan 0.000 0.222 384 G HA3 -0.380 nan 3.960 nan 0.000 0.222 384 G C -2.286 172.588 174.900 -0.044 0.000 1.364 384 G CA -0.386 44.707 45.100 -0.012 0.000 0.866 384 G HN 0.157 8.462 8.290 0.025 0.000 0.555 385 D N -0.246 120.115 120.400 -0.066 0.000 2.471 385 D HA 0.484 nan 4.640 nan 0.000 0.245 385 D C -0.807 175.395 176.300 -0.163 0.000 1.116 385 D CA -3.392 50.536 54.000 -0.120 0.000 0.853 385 D CB 0.950 41.713 40.800 -0.061 0.000 1.123 385 D HN -0.687 8.033 8.370 -0.049 -0.380 0.540 386 P HA -0.165 nan 4.420 nan 0.000 0.218 386 P C 0.883 178.081 177.300 -0.170 0.000 1.146 386 P CA 2.112 64.947 63.100 -0.440 0.000 0.813 386 P CB 0.100 31.118 31.700 -1.136 0.000 0.778 387 W N -5.208 115.946 121.300 -0.243 0.000 2.518 387 W HA 0.023 nan 4.660 nan 0.000 0.273 387 W C 0.574 177.038 176.519 -0.090 0.000 1.247 387 W CA 1.563 58.831 57.345 -0.128 0.000 1.288 387 W CB -0.550 28.879 29.460 -0.052 0.000 1.107 387 W HN 0.151 8.572 8.180 -0.114 -0.309 0.586 388 T N -7.798 106.833 114.554 0.129 0.000 2.971 388 T HA 0.142 nan 4.350 nan 0.000 0.252 388 T C -0.013 174.695 174.700 0.012 0.000 1.022 388 T CA -0.462 61.677 62.100 0.065 0.000 0.980 388 T CB 1.444 70.352 68.868 0.068 0.000 1.044 388 T HN -0.632 7.556 8.240 0.089 0.106 0.501 389 D N 4.726 125.115 120.400 -0.018 0.000 2.316 389 D HA 0.141 nan 4.640 nan 0.000 0.245 389 D C 0.078 176.346 176.300 -0.054 0.000 1.171 389 D CA 0.111 54.087 54.000 -0.040 0.000 0.856 389 D CB 0.250 41.014 40.800 -0.060 0.000 1.090 389 D HN -0.176 8.177 8.370 -0.028 0.000 0.476 390 S N 1.841 117.515 115.700 -0.044 0.000 2.528 390 S HA -0.131 nan 4.470 nan 0.000 0.219 390 S C -0.021 174.532 174.600 -0.078 0.000 0.985 390 S CA 0.646 58.816 58.200 -0.052 0.000 0.914 390 S CB 0.508 63.691 63.200 -0.030 0.000 0.776 390 S HN 0.303 8.593 8.310 -0.034 0.000 0.526 391 D N 2.779 123.136 120.400 -0.073 0.000 2.506 391 D HA -0.182 nan 4.640 nan 0.000 0.234 391 D C -0.904 175.329 176.300 -0.110 0.000 1.143 391 D CA 1.227 55.182 54.000 -0.075 0.000 0.871 391 D CB 0.113 40.879 40.800 -0.056 0.000 1.190 391 D HN -0.078 8.204 8.370 -0.060 0.052 0.459 392 A N 2.277 125.036 122.820 -0.102 0.000 2.498 392 A HA 0.083 nan 4.320 nan 0.000 0.239 392 A C -0.657 176.870 177.584 -0.094 0.000 1.068 392 A CA 0.153 52.117 52.037 -0.123 0.000 0.766 392 A CB 0.614 19.566 19.000 -0.081 0.000 1.003 392 A HN 0.190 8.293 8.150 -0.079 0.000 0.497 393 L N 0.149 121.294 121.223 -0.130 0.000 2.436 393 L HA 0.050 nan 4.340 nan 0.000 0.265 393 L C -0.172 176.773 176.870 0.126 0.000 1.168 393 L CA -0.417 54.394 54.840 -0.049 0.000 0.815 393 L CB 0.544 42.525 42.059 -0.130 0.000 1.109 393 L HN 0.105 8.203 8.230 -0.221 0.000 0.462 394 A N 1.352 124.234 122.820 0.102 0.000 2.347 394 A HA 0.085 nan 4.320 nan 0.000 0.287 394 A C -1.049 176.593 177.584 0.097 0.000 1.199 394 A CA -0.789 51.307 52.037 0.099 0.000 0.851 394 A CB 0.564 19.570 19.000 0.009 0.000 1.118 394 A HN 0.374 8.538 8.150 0.025 0.000 0.525 395 H N 5.972 125.029 119.070 -0.021 0.000 3.070 395 H HA -0.180 nan 4.556 nan 0.000 0.313 395 H C -0.484 174.692 175.328 -0.253 0.000 0.997 395 H CA 0.724 56.530 56.048 -0.404 0.000 1.438 395 H CB 0.290 29.892 29.762 -0.267 0.000 1.455 395 H HN 0.503 8.930 8.280 0.244 0.000 0.575 396 S N 7.171 122.521 115.700 -0.583 0.000 2.749 396 S HA 0.193 nan 4.470 nan 0.000 0.246 396 S C -1.488 172.996 174.600 -0.193 0.000 1.023 396 S CA 0.007 58.080 58.200 -0.212 0.000 1.012 396 S CB 1.634 64.807 63.200 -0.045 0.000 0.942 396 S HN 0.769 8.407 8.310 -0.943 0.106 0.531 397 G N -1.349 107.223 108.800 -0.380 0.000 2.375 397 G HA2 -0.196 nan 3.960 nan 0.000 0.663 397 G HA3 -0.196 nan 3.960 nan 0.000 0.663 397 G C -3.048 171.761 174.900 -0.152 0.000 1.391 397 G CA -0.493 44.567 45.100 -0.066 0.000 0.949 397 G HN -0.948 6.680 8.290 -1.103 0.000 0.646 398 V N 2.083 122.006 119.914 0.013 0.000 2.364 398 V HA 0.259 nan 4.120 nan 0.000 0.272 398 V C 0.092 176.139 176.094 -0.079 0.000 1.036 398 V CA -0.096 62.198 62.300 -0.009 0.000 0.880 398 V CB -0.609 31.256 31.823 0.069 0.000 0.991 398 V HN 0.501 8.743 8.190 0.085 0.000 0.460 399 M N 7.139 126.607 119.600 -0.221 0.000 2.325 399 M HA 0.087 nan 4.480 nan 0.000 0.265 399 M C -0.360 175.860 176.300 -0.133 0.000 1.094 399 M CA 2.922 57.960 55.300 -0.436 0.000 1.161 399 M CB 1.758 33.868 32.600 -0.817 0.000 1.358 399 M HN 0.379 8.548 8.290 -0.201 0.000 0.446 400 V N -3.220 116.655 119.914 -0.065 0.000 2.577 400 V HA 0.344 nan 4.120 nan 0.000 0.303 400 V C -0.769 175.336 176.094 0.018 0.000 1.042 400 V CA -2.217 60.087 62.300 0.006 0.000 0.872 400 V CB 1.710 33.551 31.823 0.031 0.000 0.998 400 V HN -0.252 7.891 8.190 -0.078 0.000 0.423 401 S N 5.545 121.258 115.700 0.022 0.000 2.634 401 S HA 0.288 nan 4.470 nan 0.000 0.261 401 S C 0.822 175.444 174.600 0.037 0.000 1.271 401 S CA 0.132 58.349 58.200 0.028 0.000 0.985 401 S CB 1.514 64.725 63.200 0.018 0.000 0.968 401 S HN 0.436 8.756 8.310 0.016 0.000 0.568 402 M N 1.011 120.634 119.600 0.038 0.000 2.549 402 M HA -0.162 nan 4.480 nan 0.000 0.260 402 M C 0.575 176.899 176.300 0.040 0.000 1.076 402 M CA 2.474 57.799 55.300 0.041 0.000 1.090 402 M CB 0.029 32.651 32.600 0.036 0.000 1.418 402 M HN 0.678 8.989 8.290 0.035 0.000 0.486 403 K N -2.312 118.109 120.400 0.034 0.000 2.418 403 K HA -0.110 nan 4.320 nan 0.000 0.195 403 K C -0.014 176.610 176.600 0.041 0.000 1.035 403 K CA 0.788 57.094 56.287 0.032 0.000 1.003 403 K CB 0.505 33.018 32.500 0.021 0.000 0.793 403 K HN -0.688 7.519 8.250 0.029 0.061 0.494 404 E N -1.041 119.188 120.200 0.049 0.000 2.221 404 E HA 0.485 nan 4.350 nan 0.000 0.268 404 E C -2.411 174.244 176.600 0.093 0.000 0.933 404 E CA -3.215 53.220 56.400 0.058 0.000 0.809 404 E CB 1.153 30.880 29.700 0.044 0.000 1.190 404 E HN -0.443 7.878 8.360 0.049 0.068 0.406 405 P HA -0.013 nan 4.420 nan 0.000 0.268 405 P C -1.165 176.286 177.300 0.251 0.000 1.204 405 P CA -0.258 62.974 63.100 0.220 0.000 0.768 405 P CB 0.092 31.869 31.700 0.127 0.000 0.842 406 G N 0.967 109.983 108.800 0.361 0.000 3.003 406 G HA2 0.230 nan 3.960 nan 0.000 0.293 406 G HA3 0.230 nan 3.960 nan 0.000 0.293 406 G C -2.203 172.938 174.900 0.401 0.000 1.553 406 G CA -0.022 45.252 45.100 0.290 0.000 1.078 406 G HN 0.027 8.446 8.290 0.405 0.114 0.550 407 W N 3.916 125.281 121.300 0.108 0.000 3.349 407 W HA 0.401 nan 4.660 nan 0.000 0.645 407 W C -0.604 176.114 176.519 0.331 0.000 2.564 407 W CA -0.602 56.848 57.345 0.175 0.000 1.006 407 W CB 1.220 30.727 29.460 0.078 0.000 2.966 407 W HN 0.407 8.888 8.180 0.502 0.000 0.601 408 Y N -2.270 118.285 120.300 0.426 0.000 2.480 408 Y HA -0.140 nan 4.550 nan 0.000 0.338 408 Y C -0.071 176.025 175.900 0.327 0.000 1.220 408 Y CA -0.262 58.043 58.100 0.341 0.000 1.430 408 Y CB 0.155 38.840 38.460 0.376 0.000 1.311 408 Y HN -0.398 8.562 8.280 0.667 -0.280 0.575 409 S N 0.019 115.961 115.700 0.403 0.000 2.632 409 S HA 0.873 nan 4.470 nan 0.000 0.289 409 S C -1.859 172.933 174.600 0.320 0.000 1.115 409 S CA -1.598 56.742 58.200 0.234 0.000 0.889 409 S CB 3.323 66.591 63.200 0.114 0.000 1.116 409 S HN -0.070 8.430 8.310 0.317 0.000 0.486 410 F N -5.547 114.569 119.950 0.278 0.000 2.693 410 F HA 0.436 nan 4.527 nan 0.000 0.309 410 F C -1.938 174.050 175.800 0.314 0.000 1.129 410 F CA -0.961 57.206 58.000 0.279 0.000 0.948 410 F CB 2.091 41.276 39.000 0.309 0.000 1.315 410 F HN 0.413 8.479 8.300 -0.390 0.000 0.447 411 G N -1.895 107.170 108.800 0.442 0.000 2.441 411 G HA2 0.813 nan 3.960 nan 0.000 0.334 411 G HA3 0.813 nan 3.960 nan 0.000 0.334 411 G C -2.343 172.889 174.900 0.554 0.000 1.161 411 G CA -1.377 43.914 45.100 0.318 0.000 0.935 411 G HN -0.011 8.555 8.290 0.459 0.000 0.488 412 F N -3.854 116.241 119.950 0.241 0.000 2.773 412 F HA 0.521 nan 4.527 nan 0.000 0.314 412 F C -3.079 172.814 175.800 0.155 0.000 1.160 412 F CA -1.678 56.468 58.000 0.244 0.000 0.920 412 F CB 2.077 41.285 39.000 0.346 0.000 1.323 412 F HN 0.444 8.732 8.300 -0.019 0.000 0.457 413 E N -1.041 119.311 120.200 0.254 0.000 2.272 413 E HA 0.671 nan 4.350 nan 0.000 0.269 413 E C -1.096 175.613 176.600 0.183 0.000 0.877 413 E CA -1.576 54.870 56.400 0.076 0.000 0.755 413 E CB 4.058 33.818 29.700 0.101 0.000 1.192 413 E HN -0.077 8.566 8.360 0.472 0.000 0.422 414 I N 3.924 124.539 120.570 0.075 0.000 2.392 414 I HA 0.092 nan 4.170 nan 0.000 0.295 414 I C -0.777 175.375 176.117 0.058 0.000 0.985 414 I CA -0.877 60.492 61.300 0.115 0.000 1.221 414 I CB 2.082 40.128 38.000 0.076 0.000 1.366 414 I HN 0.966 9.038 8.210 -0.044 0.111 0.467 415 K N 6.898 127.336 120.400 0.063 0.000 2.263 415 K HA 0.125 nan 4.320 nan 0.000 0.282 415 K C -0.674 175.938 176.600 0.020 0.000 1.089 415 K CA -1.006 55.303 56.287 0.037 0.000 0.907 415 K CB -0.883 31.638 32.500 0.036 0.000 1.148 415 K HN 0.296 8.595 8.250 0.082 0.000 0.470 416 D N 4.827 125.231 120.400 0.007 0.000 2.433 416 D HA 0.064 nan 4.640 nan 0.000 0.255 416 D C 1.027 177.328 176.300 0.003 0.000 1.226 416 D CA -0.454 53.546 54.000 -0.000 0.000 1.015 416 D CB 2.510 43.302 40.800 -0.012 0.000 1.091 416 D HN 0.083 8.455 8.370 0.003 0.000 0.527 417 K N 1.703 122.103 120.400 -0.000 0.000 2.020 417 K HA -0.246 nan 4.320 nan 0.000 0.212 417 K C 1.691 178.292 176.600 0.002 0.000 1.050 417 K CA 3.389 59.676 56.287 0.001 0.000 0.929 417 K CB -0.119 32.380 32.500 -0.002 0.000 0.714 417 K HN 0.602 8.851 8.250 -0.003 0.000 0.443 418 K N -4.975 115.425 120.400 -0.000 0.000 2.438 418 K HA 0.158 nan 4.320 nan 0.000 0.206 418 K C -1.490 175.111 176.600 0.002 0.000 1.081 418 K CA -0.187 56.100 56.287 0.000 0.000 1.053 418 K CB 0.960 33.459 32.500 -0.003 0.000 0.908 418 K HN 0.151 8.400 8.250 -0.002 0.000 0.556 419 c N -5.226 113.375 118.600 0.002 0.000 3.311 419 c HA 0.469 nan 4.570 nan 0.000 0.325 419 c C -1.933 172.158 174.090 0.001 0.000 1.352 419 c CA -2.982 53.349 56.329 0.002 0.000 1.308 419 c CB 3.081 45.591 42.510 -0.001 0.000 1.619 419 c HN -0.643 7.587 8.230 0.000 0.000 0.469 420 D N -0.384 120.019 120.400 0.004 0.000 2.163 420 D HA 0.543 nan 4.640 nan 0.000 0.248 420 D C -1.031 175.250 176.300 -0.032 0.000 1.035 420 D CA -1.002 52.999 54.000 0.002 0.000 0.872 420 D CB 1.913 42.728 40.800 0.026 0.000 1.183 420 D HN -0.137 8.239 8.370 0.009 0.000 0.445 421 V N 2.895 122.771 119.914 -0.064 0.000 2.328 421 V HA 0.370 nan 4.120 nan 0.000 0.278 421 V C -2.108 173.856 176.094 -0.216 0.000 1.021 421 V CA -3.742 58.470 62.300 -0.147 0.000 0.838 421 V CB 1.441 33.172 31.823 -0.154 0.000 0.999 421 V HN 0.855 8.914 8.190 -0.039 0.107 0.447 422 P HA 0.513 nan 4.420 nan 0.000 0.276 422 P C -1.479 175.491 177.300 -0.550 0.000 1.230 422 P CA -0.623 62.296 63.100 -0.301 0.000 0.776 422 P CB 0.276 31.872 31.700 -0.174 0.000 0.888 423 c N 1.591 119.864 118.600 -0.544 0.000 3.090 423 c HA 0.882 nan 4.570 nan 0.000 0.305 423 c C -1.142 172.782 174.090 -0.276 0.000 1.292 423 c CA -1.058 54.912 56.329 -0.598 0.000 1.482 423 c CB 4.677 46.504 42.510 -1.138 0.000 1.897 423 c HN 0.689 8.624 8.230 -0.491 0.000 0.469 424 I N 0.464 121.050 120.570 0.026 0.000 2.498 424 I HA 0.597 nan 4.170 nan 0.000 0.290 424 I C -1.581 174.541 176.117 0.009 0.000 1.032 424 I CA -1.204 60.119 61.300 0.038 0.000 1.073 424 I CB 3.777 41.812 38.000 0.058 0.000 1.251 424 I HN 0.902 9.188 8.210 0.126 0.000 0.426 425 G N 5.312 113.910 108.800 -0.337 0.000 2.417 425 G HA2 0.883 nan 3.960 nan 0.000 0.334 425 G HA3 0.883 nan 3.960 nan 0.000 0.334 425 G C -2.564 171.937 174.900 -0.665 0.000 1.150 425 G CA -2.032 42.732 45.100 -0.559 0.000 0.923 425 G HN 0.696 8.637 8.290 -0.582 0.000 0.485 426 I N 0.068 120.553 120.570 -0.143 0.000 2.466 426 I HA 0.408 nan 4.170 nan 0.000 0.289 426 I C -1.782 174.454 176.117 0.199 0.000 1.026 426 I CA -0.942 60.388 61.300 0.050 0.000 1.078 426 I CB 3.567 41.617 38.000 0.084 0.000 1.249 426 I HN 0.837 9.046 8.210 -0.000 0.000 0.429 427 E N 7.615 127.998 120.200 0.304 0.000 2.259 427 E HA 0.288 nan 4.350 nan 0.000 0.281 427 E C -1.540 175.145 176.600 0.142 0.000 1.037 427 E CA -0.661 55.897 56.400 0.264 0.000 0.854 427 E CB 1.814 31.704 29.700 0.316 0.000 1.051 427 E HN 0.847 9.415 8.360 0.346 0.000 0.409 428 M N 7.318 126.913 119.600 -0.009 0.000 2.006 428 M HA 0.247 nan 4.480 nan 0.000 0.314 428 M C -1.638 174.390 176.300 -0.454 0.000 0.926 428 M CA -1.185 54.047 55.300 -0.114 0.000 0.906 428 M CB 1.486 34.061 32.600 -0.042 0.000 1.422 428 M HN 0.688 8.969 8.290 -0.015 0.000 0.397 429 V N 4.061 123.518 119.914 -0.761 0.000 2.614 429 V HA 0.028 nan 4.120 nan 0.000 0.291 429 V C 0.006 175.563 176.094 -0.894 0.000 1.049 429 V CA -0.406 61.236 62.300 -1.097 0.000 1.038 429 V CB 0.232 30.817 31.823 -2.062 0.000 0.980 429 V HN 0.420 8.124 8.190 -0.809 0.000 0.481 430 H N 6.666 125.431 119.070 -0.508 0.000 2.761 430 H HA 0.107 nan 4.556 nan 0.000 0.284 430 H C -1.403 173.574 175.328 -0.586 0.000 1.105 430 H CA -1.092 54.691 56.048 -0.441 0.000 1.352 430 H CB -0.156 29.377 29.762 -0.382 0.000 1.423 430 H HN 0.834 8.526 8.280 -0.796 0.111 0.464 431 D N 4.142 124.360 120.400 -0.304 0.000 2.425 431 D HA 0.110 nan 4.640 nan 0.000 0.240 431 D C -0.551 175.681 176.300 -0.113 0.000 1.080 431 D CA -0.938 52.975 54.000 -0.145 0.000 0.836 431 D CB 0.969 41.830 40.800 0.103 0.000 1.125 431 D HN -0.056 8.197 8.370 -0.195 0.000 0.525 432 G N 4.486 113.183 108.800 -0.172 0.000 3.651 432 G HA2 0.271 nan 3.960 nan 0.000 0.279 432 G HA3 0.271 nan 3.960 nan 0.000 0.279 432 G C -0.979 173.861 174.900 -0.100 0.000 1.024 432 G CA -0.972 44.020 45.100 -0.181 0.000 0.813 432 G HN 0.330 8.526 8.290 -0.157 0.000 0.518 433 G N 0.665 109.444 108.800 -0.035 0.000 2.760 433 G HA2 -0.318 nan 3.960 nan 0.000 0.246 433 G HA3 -0.318 nan 3.960 nan 0.000 0.246 433 G C -0.724 174.136 174.900 -0.068 0.000 1.359 433 G CA -0.464 44.614 45.100 -0.036 0.000 0.861 433 G HN -0.565 7.991 8.290 0.019 -0.255 0.541 434 K N -2.250 118.114 120.400 -0.061 0.000 2.439 434 K HA -0.190 nan 4.320 nan 0.000 0.197 434 K C 0.603 177.189 176.600 -0.023 0.000 1.041 434 K CA 1.666 57.918 56.287 -0.059 0.000 0.970 434 K CB -0.374 32.097 32.500 -0.047 0.000 0.773 434 K HN 0.367 8.589 8.250 -0.047 0.000 0.479 435 K N -2.252 118.136 120.400 -0.021 0.000 2.487 435 K HA 0.014 nan 4.320 nan 0.000 0.192 435 K C 0.179 176.796 176.600 0.028 0.000 1.027 435 K CA 0.475 56.767 56.287 0.008 0.000 1.054 435 K CB 0.037 32.538 32.500 0.001 0.000 0.824 435 K HN 0.054 8.234 8.250 -0.034 0.049 0.510 436 T N -0.529 114.010 114.554 -0.025 0.000 2.716 436 T HA 0.272 nan 4.350 nan 0.000 0.286 436 T C -1.556 173.067 174.700 -0.129 0.000 1.052 436 T CA -1.786 60.283 62.100 -0.052 0.000 1.024 436 T CB 1.698 70.426 68.868 -0.233 0.000 1.349 436 T HN -0.669 7.479 8.240 -0.060 0.056 0.525 437 W N -0.720 120.340 121.300 -0.399 0.000 2.123 437 W HA 0.056 nan 4.660 nan 0.000 0.351 437 W C -1.514 174.878 176.519 -0.212 0.000 1.292 437 W CA -1.289 55.755 57.345 -0.502 0.000 1.263 437 W CB 0.485 29.302 29.460 -1.072 0.000 1.165 437 W HN 0.119 8.000 8.180 -0.499 0.000 0.590 438 H N 2.404 121.466 119.070 -0.014 0.000 3.013 438 H HA 0.210 nan 4.556 nan 0.000 0.326 438 H C -2.098 173.252 175.328 0.036 0.000 0.973 438 H CA -0.101 55.878 56.048 -0.116 0.000 1.369 438 H CB 2.190 31.874 29.762 -0.130 0.000 1.598 438 H HN -0.359 8.064 8.280 0.239 0.000 0.518 439 S N 4.673 120.289 115.700 -0.141 0.000 2.843 439 S HA 0.630 nan 4.470 nan 0.000 0.301 439 S C -2.716 171.790 174.600 -0.157 0.000 1.206 439 S CA -1.997 56.184 58.200 -0.032 0.000 0.875 439 S CB 2.898 66.123 63.200 0.042 0.000 1.248 439 S HN -0.349 7.776 8.310 -0.309 0.000 0.555 440 A N -1.843 120.982 122.820 0.008 0.000 2.589 440 A HA 0.521 nan 4.320 nan 0.000 0.296 440 A C -1.931 175.677 177.584 0.039 0.000 1.062 440 A CA -0.634 51.282 52.037 -0.201 0.000 0.686 440 A CB 2.838 21.720 19.000 -0.197 0.000 1.282 440 A HN 0.089 8.366 8.150 0.213 0.000 0.404 441 A N 1.226 124.008 122.820 -0.065 0.000 2.269 441 A HA 0.604 nan 4.320 nan 0.000 0.319 441 A C -1.331 176.327 177.584 0.124 0.000 1.110 441 A CA -1.536 50.571 52.037 0.116 0.000 0.847 441 A CB 2.488 21.565 19.000 0.128 0.000 1.161 441 A HN 0.741 8.588 8.150 -0.321 0.110 0.497 442 T N 0.724 115.389 114.554 0.185 0.000 2.809 442 T HA 0.658 nan 4.350 nan 0.000 0.284 442 T C -2.012 172.779 174.700 0.153 0.000 0.992 442 T CA -0.508 61.718 62.100 0.209 0.000 0.957 442 T CB 1.342 70.356 68.868 0.243 0.000 0.942 442 T HN 0.397 8.750 8.240 0.188 0.000 0.439 443 A N 6.838 129.753 122.820 0.158 0.000 2.324 443 A HA 1.141 nan 4.320 nan 0.000 0.330 443 A C -2.443 175.257 177.584 0.193 0.000 1.165 443 A CA -2.399 49.738 52.037 0.168 0.000 0.813 443 A CB 2.289 21.419 19.000 0.216 0.000 1.197 443 A HN 1.138 9.280 8.150 0.166 0.107 0.484 444 I N 1.156 121.825 120.570 0.165 0.000 2.465 444 I HA 0.623 nan 4.170 nan 0.000 0.291 444 I C -1.913 174.249 176.117 0.075 0.000 1.014 444 I CA -0.712 60.703 61.300 0.191 0.000 1.093 444 I CB 3.062 41.180 38.000 0.197 0.000 1.267 444 I HN 0.638 8.902 8.210 0.090 0.000 0.431 445 Y N 5.192 125.527 120.300 0.057 0.000 2.409 445 Y HA 0.610 nan 4.550 nan 0.000 0.343 445 Y C -1.618 174.233 175.900 -0.082 0.000 0.973 445 Y CA -1.347 56.789 58.100 0.060 0.000 1.064 445 Y CB 3.536 42.104 38.460 0.180 0.000 1.207 445 Y HN 0.613 9.100 8.280 0.345 0.000 0.452 446 c N 1.260 119.707 118.600 -0.255 0.000 2.889 446 c HA 0.744 nan 4.570 nan 0.000 0.307 446 c C -1.371 172.052 174.090 -1.112 0.000 1.251 446 c CA -1.582 54.292 56.329 -0.757 0.000 1.593 446 c CB 4.417 46.633 42.510 -0.490 0.000 2.104 446 c HN 0.539 8.648 8.230 -0.202 0.000 0.476 447 L N 3.275 123.507 121.223 -1.653 0.000 2.615 447 L HA 0.055 nan 4.340 nan 0.000 0.271 447 L C -1.481 175.106 176.870 -0.472 0.000 1.183 447 L CA 1.674 55.880 54.840 -1.058 0.000 0.933 447 L CB 0.232 41.837 42.059 -0.756 0.000 1.199 447 L HN 0.178 7.353 8.230 -1.758 0.000 0.487 448 M N 3.470 122.911 119.600 -0.266 0.000 2.294 448 M HA 0.262 nan 4.480 nan 0.000 0.280 448 M C -1.232 175.031 176.300 -0.061 0.000 1.085 448 M CA -0.702 54.511 55.300 -0.146 0.000 0.969 448 M CB 2.381 34.895 32.600 -0.143 0.000 1.770 448 M HN 0.419 8.577 8.290 -0.221 0.000 0.485 449 G N 1.530 110.310 108.800 -0.034 0.000 2.645 449 G HA2 -0.363 nan 3.960 nan 0.000 0.246 449 G HA3 -0.363 nan 3.960 nan 0.000 0.246 449 G C -1.529 173.391 174.900 0.034 0.000 1.322 449 G CA -0.114 44.985 45.100 -0.001 0.000 0.898 449 G HN 0.385 8.648 8.290 -0.045 0.000 0.573 450 S N -0.440 115.286 115.700 0.043 0.000 2.759 450 S HA 0.821 nan 4.470 nan 0.000 0.310 450 S C 0.062 174.705 174.600 0.071 0.000 1.123 450 S CA -0.774 57.467 58.200 0.068 0.000 0.959 450 S CB 2.947 66.178 63.200 0.051 0.000 1.172 450 S HN 0.199 8.527 8.310 0.029 0.000 0.539 451 G N 0.742 109.592 108.800 0.083 0.000 2.464 451 G HA2 -0.237 nan 3.960 nan 0.000 0.216 451 G HA3 -0.237 nan 3.960 nan 0.000 0.216 451 G C -1.786 173.177 174.900 0.105 0.000 1.186 451 G CA -0.359 44.787 45.100 0.077 0.000 1.010 451 G HN 0.139 8.484 8.290 0.092 0.000 0.585 452 Q N -0.015 119.844 119.800 0.098 0.000 2.399 452 Q HA 0.265 nan 4.340 nan 0.000 0.276 452 Q C -0.788 175.290 176.000 0.130 0.000 1.098 452 Q CA -1.688 54.186 55.803 0.117 0.000 0.827 452 Q CB 2.569 31.366 28.738 0.097 0.000 1.386 452 Q HN 0.091 8.409 8.270 0.080 0.000 0.443 453 L N 0.754 122.070 121.223 0.155 0.000 2.455 453 L HA -0.030 nan 4.340 nan 0.000 0.272 453 L C -0.218 176.758 176.870 0.176 0.000 1.174 453 L CA 0.862 55.814 54.840 0.186 0.000 0.869 453 L CB 0.372 42.547 42.059 0.192 0.000 1.130 453 L HN 0.328 8.649 8.230 0.153 0.000 0.474 454 L N 5.295 126.633 121.223 0.190 0.000 2.388 454 L HA 0.178 nan 4.340 nan 0.000 0.209 454 L C 0.105 177.163 176.870 0.314 0.000 1.061 454 L CA 0.667 55.608 54.840 0.169 0.000 0.834 454 L CB 1.066 43.158 42.059 0.056 0.000 1.029 454 L HN 0.190 8.831 8.230 0.200 -0.291 0.473 455 W N -2.135 119.249 121.300 0.140 0.000 3.033 455 W HA 0.167 nan 4.660 nan 0.000 0.336 455 W C -1.901 174.749 176.519 0.219 0.000 1.173 455 W CA -1.696 55.729 57.345 0.133 0.000 1.185 455 W CB 2.874 32.386 29.460 0.086 0.000 1.425 455 W HN -0.461 7.979 8.180 0.434 0.000 0.536 456 D N 0.357 120.870 120.400 0.188 0.000 2.437 456 D HA 0.470 nan 4.640 nan 0.000 0.259 456 D C -1.422 174.895 176.300 0.028 0.000 1.118 456 D CA -1.270 52.804 54.000 0.124 0.000 1.017 456 D CB 2.103 42.915 40.800 0.021 0.000 1.120 456 D HN 0.008 8.387 8.370 0.015 0.000 0.541 457 T N -0.273 114.334 114.554 0.090 0.000 2.807 457 T HA 0.420 nan 4.350 nan 0.000 0.279 457 T C -1.267 173.435 174.700 0.004 0.000 0.993 457 T CA -0.128 62.005 62.100 0.055 0.000 0.970 457 T CB 1.462 70.447 68.868 0.196 0.000 0.950 457 T HN 0.116 8.424 8.240 0.115 0.000 0.441 458 V N -0.817 119.075 119.914 -0.037 0.000 2.815 458 V HA 0.701 nan 4.120 nan 0.000 0.314 458 V C -0.256 175.845 176.094 0.012 0.000 1.064 458 V CA -2.712 59.576 62.300 -0.021 0.000 0.952 458 V CB 2.172 33.959 31.823 -0.060 0.000 1.020 458 V HN 0.093 8.246 8.190 -0.063 0.000 0.439 459 T N -2.398 112.185 114.554 0.049 0.000 3.014 459 T HA 0.089 nan 4.350 nan 0.000 0.263 459 T C 1.511 176.239 174.700 0.047 0.000 1.078 459 T CA 1.418 63.574 62.100 0.092 0.000 1.135 459 T CB 0.864 69.871 68.868 0.232 0.000 0.895 459 T HN 0.328 8.859 8.240 0.052 -0.260 0.480 460 G N 1.520 110.330 108.800 0.016 0.000 2.155 460 G HA2 -0.379 nan 3.960 nan 0.000 0.257 460 G HA3 -0.379 nan 3.960 nan 0.000 0.257 460 G C -0.790 174.093 174.900 -0.028 0.000 0.983 460 G CA 0.834 45.923 45.100 -0.019 0.000 0.676 460 G HN 0.198 8.470 8.290 0.020 0.031 0.528 461 V N 0.136 120.048 119.914 -0.004 0.000 2.481 461 V HA 0.118 nan 4.120 nan 0.000 0.286 461 V C -0.607 175.470 176.094 -0.029 0.000 1.042 461 V CA -0.120 62.148 62.300 -0.054 0.000 0.928 461 V CB 0.717 32.433 31.823 -0.179 0.000 0.986 461 V HN -0.565 7.638 8.190 0.045 0.014 0.462 462 D N 5.519 125.907 120.400 -0.020 0.000 2.392 462 D HA 0.164 nan 4.640 nan 0.000 0.228 462 D C 0.551 176.871 176.300 0.033 0.000 1.074 462 D CA -1.144 52.854 54.000 -0.002 0.000 0.838 462 D CB 1.153 41.955 40.800 0.002 0.000 1.067 462 D HN 0.249 8.603 8.370 -0.027 0.000 0.511 463 M N 4.729 124.329 119.600 0.001 0.000 2.549 463 M HA -0.240 nan 4.480 nan 0.000 0.260 463 M C 0.721 177.065 176.300 0.072 0.000 1.076 463 M CA 1.988 57.298 55.300 0.017 0.000 1.090 463 M CB -0.075 32.352 32.600 -0.288 0.000 1.418 463 M HN 0.571 8.838 8.290 -0.039 0.000 0.486 464 A N -1.353 121.493 122.820 0.043 0.000 2.119 464 A HA -0.049 nan 4.320 nan 0.000 0.216 464 A C 0.109 177.749 177.584 0.094 0.000 1.152 464 A CA 1.001 53.073 52.037 0.058 0.000 0.708 464 A CB 0.088 19.105 19.000 0.028 0.000 0.805 464 A HN -0.263 8.206 8.150 0.021 -0.306 0.460 465 L N 0.000 121.281 121.223 0.096 0.000 2.949 465 L HA 0.000 nan 4.340 nan 0.000 0.249 465 L CA 0.000 54.886 54.840 0.076 0.000 0.813 465 L CB 0.000 42.085 42.059 0.043 0.000 0.961 465 L HN 0.000 8.248 8.230 0.092 0.038 0.502