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 3lt2_1_B DATA FIRST_RESID 96 DATA SEQUENCE NEDICFIAGI GDTNGYGWGI AKELSKRNVK IIFGIWPPVY NIFMKNYKNG DATA SEQUENCE KFDNDMIIDK DKKMNILDML PFDASFDTAN DIDEETKNNK RYNMLQNYTI DATA SEQUENCE EDVANLIHQK YGKINMLVHS LANAKEVQKD LLNTSRKGYL DALSKSSYSL DATA SEQUENCE ISLCKYFVNI MKPQSSIISL TYHASQKVVP GYGGGMSSAK AALESDTRVL DATA SEQUENCE AYHLGRNYNI RINTISAGPL KSRAATAINX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XTFIDYAIEY SEKYAPLRQK LLSTDIGSVA DATA SEQUENCE SFLLSRESRA ITGQTIYVDN GLNIMFLPD 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 96 N HA 0.000 nan 4.740 nan 0.000 0.220 96 N C 0.000 175.518 175.510 0.014 0.000 1.280 96 N CA 0.000 53.056 53.050 0.011 0.000 0.885 96 N CB 0.000 38.494 38.487 0.011 0.000 1.341 97 E N -1.085 119.125 120.200 0.017 0.000 3.763 97 E HA -0.126 4.224 4.350 -0.000 0.000 0.319 97 E C -0.641 175.970 176.600 0.018 0.000 0.804 97 E CA 1.136 57.550 56.400 0.023 0.000 1.196 97 E CB -2.611 nan 29.700 nan 0.000 1.607 97 E HN 0.927 nan 8.360 nan 0.000 0.431 98 D N -0.235 120.170 120.400 0.008 0.000 2.347 98 D HA 0.579 5.218 4.640 -0.000 0.000 0.235 98 D C 0.269 176.565 176.300 -0.007 0.000 1.149 98 D CA -0.031 53.971 54.000 0.002 0.000 0.850 98 D CB 0.522 41.320 40.800 -0.003 0.000 1.061 98 D HN 0.641 nan 8.370 nan 0.000 0.487 99 I N 1.738 122.308 120.570 -0.000 0.000 2.436 99 I HA 0.258 4.428 4.170 -0.000 0.000 0.289 99 I C -0.286 175.839 176.117 0.013 0.000 1.010 99 I CA -0.832 60.460 61.300 -0.014 0.000 1.098 99 I CB 2.167 40.155 38.000 -0.019 0.000 1.266 99 I HN 0.231 nan 8.210 nan 0.000 0.434 100 C N 6.946 126.250 119.300 0.006 0.000 2.379 100 C HA 0.532 4.992 4.460 -0.000 0.000 0.323 100 C C -0.458 174.588 174.990 0.093 0.000 1.262 100 C CA -0.710 58.327 59.018 0.032 0.000 1.581 100 C CB 0.357 28.092 27.740 -0.008 0.000 2.221 100 C HN 0.721 nan 8.230 nan 0.000 0.497 101 F N 7.106 127.021 119.950 -0.057 0.000 2.404 101 F HA 0.666 5.193 4.527 -0.000 0.000 0.354 101 F C -0.265 175.456 175.800 -0.132 0.000 1.122 101 F CA -0.577 57.376 58.000 -0.078 0.000 1.080 101 F CB 0.525 39.479 39.000 -0.076 0.000 1.131 101 F HN 0.486 nan 8.300 nan 0.000 0.471 102 I N 6.912 127.112 120.570 -0.616 0.000 2.328 102 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 102 I C -0.202 175.333 176.117 -0.971 0.000 1.012 102 I CA -0.630 60.303 61.300 -0.611 0.000 1.195 102 I CB 1.278 39.100 38.000 -0.295 0.000 1.350 102 I HN 0.704 nan 8.210 nan 0.000 0.464 103 A N 5.222 127.492 122.820 -0.917 0.000 2.260 103 A HA 0.717 5.037 4.320 -0.000 0.000 0.312 103 A C 0.618 177.992 177.584 -0.350 0.000 1.321 103 A CA -0.161 51.453 52.037 -0.705 0.000 0.928 103 A CB 0.231 18.887 19.000 -0.573 0.000 1.158 103 A HN 1.049 nan 8.150 nan 0.000 0.542 104 G N 1.937 110.590 108.800 -0.244 0.000 2.867 104 G HA2 0.024 3.984 3.960 -0.000 0.000 0.182 104 G HA3 0.024 3.984 3.960 -0.000 0.000 0.182 104 G C -0.801 173.953 174.900 -0.245 0.000 1.029 104 G CA -0.436 44.536 45.100 -0.215 0.000 1.093 104 G HN 0.764 nan 8.290 nan 0.000 0.585 105 I N 0.373 120.776 120.570 -0.279 0.000 2.569 105 I HA 0.638 4.808 4.170 -0.000 0.000 0.290 105 I C 0.993 176.892 176.117 -0.364 0.000 1.088 105 I CA -0.288 60.779 61.300 -0.388 0.000 1.047 105 I CB 2.236 39.791 38.000 -0.742 0.000 1.237 105 I HN 0.350 nan 8.210 nan 0.000 0.421 106 G N 3.630 112.294 108.800 -0.227 0.000 2.663 106 G HA2 0.267 4.227 3.960 -0.000 0.000 0.200 106 G HA3 0.267 4.227 3.960 -0.000 0.000 0.200 106 G C -0.423 174.590 174.900 0.189 0.000 1.114 106 G CA 0.332 45.399 45.100 -0.055 0.000 0.861 106 G HN 0.682 nan 8.290 nan 0.000 0.702 107 D N -2.100 118.342 120.400 0.069 0.000 2.992 107 D HA 0.279 4.919 4.640 -0.000 0.000 0.349 107 D C 0.490 176.571 176.300 -0.365 0.000 1.393 107 D CA 0.346 54.318 54.000 -0.048 0.000 0.887 107 D CB 0.050 40.835 40.800 -0.024 0.000 1.447 107 D HN -0.009 nan 8.370 nan 0.000 0.524 108 T N -3.225 110.896 114.554 -0.722 0.000 3.145 108 T HA 0.242 4.592 4.350 -0.000 0.000 0.255 108 T C 0.060 174.480 174.700 -0.467 0.000 1.039 108 T CA -0.249 61.214 62.100 -1.061 0.000 0.928 108 T CB -0.579 67.249 68.868 -1.733 0.000 1.029 108 T HN 0.344 nan 8.240 nan 0.000 0.554 109 N N 0.969 119.519 118.700 -0.250 0.000 2.254 109 N HA 0.199 4.939 4.740 -0.000 0.000 0.190 109 N C 0.994 176.420 175.510 -0.140 0.000 1.107 109 N CA 0.091 53.048 53.050 -0.156 0.000 0.869 109 N CB 0.823 39.238 38.487 -0.119 0.000 0.983 109 N HN 0.595 nan 8.380 nan 0.000 0.487 110 G N -0.660 108.073 108.800 -0.110 0.000 2.642 110 G HA2 0.274 4.234 3.960 -0.000 0.000 0.291 110 G HA3 0.274 4.234 3.960 -0.000 0.000 0.291 110 G C 0.042 174.874 174.900 -0.113 0.000 1.345 110 G CA -0.297 44.719 45.100 -0.140 0.000 1.043 110 G HN -0.037 nan 8.290 nan 0.000 0.528 111 Y N 0.500 120.801 120.300 0.001 0.000 2.337 111 Y HA 0.056 4.606 4.550 -0.000 0.000 0.293 111 Y C 2.892 178.777 175.900 -0.026 0.000 1.123 111 Y CA 1.044 59.144 58.100 0.000 0.000 1.201 111 Y CB -0.515 37.940 38.460 -0.009 0.000 1.011 111 Y HN 0.520 nan 8.280 nan 0.000 0.545 112 G N -0.068 108.776 108.800 0.074 0.000 2.513 112 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 112 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 112 G C 1.696 176.554 174.900 -0.071 0.000 1.160 112 G CA 0.909 45.970 45.100 -0.066 0.000 0.767 112 G HN 0.541 nan 8.290 nan 0.000 0.571 113 W N 1.689 122.881 121.300 -0.179 0.000 2.379 113 W HA -0.072 4.588 4.660 -0.000 0.000 0.307 113 W C 2.493 178.989 176.519 -0.039 0.000 1.200 113 W CA 1.530 58.791 57.345 -0.140 0.000 1.297 113 W CB -0.531 28.843 29.460 -0.143 0.000 1.140 113 W HN 0.255 nan 8.180 nan 0.000 0.507 114 G N 1.050 109.947 108.800 0.162 0.000 2.469 114 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 114 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 114 G C 1.497 176.412 174.900 0.027 0.000 1.136 114 G CA 1.387 46.552 45.100 0.109 0.000 0.759 114 G HN 0.299 nan 8.290 nan 0.000 0.562 115 I N 1.302 121.879 120.570 0.013 0.000 2.202 115 I HA -0.105 4.065 4.170 -0.000 0.000 0.242 115 I C 3.282 179.352 176.117 -0.079 0.000 1.091 115 I CA 0.929 62.213 61.300 -0.027 0.000 1.368 115 I CB -0.244 37.736 38.000 -0.033 0.000 1.058 115 I HN 0.228 nan 8.210 nan 0.000 0.410 116 A N 0.910 123.644 122.820 -0.143 0.000 1.873 116 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 116 A C 2.337 179.793 177.584 -0.213 0.000 1.193 116 A CA 1.937 53.872 52.037 -0.171 0.000 0.629 116 A CB -0.584 18.274 19.000 -0.236 0.000 0.826 116 A HN 0.311 nan 8.150 nan 0.000 0.447 117 K N -0.732 119.491 120.400 -0.295 0.000 2.009 117 K HA -0.169 4.150 4.320 -0.000 0.000 0.210 117 K C 2.053 178.603 176.600 -0.083 0.000 1.049 117 K CA 1.517 57.687 56.287 -0.195 0.000 0.929 117 K CB -0.225 32.197 32.500 -0.130 0.000 0.714 117 K HN 0.411 nan 8.250 nan 0.000 0.440 118 E N 1.006 121.175 120.200 -0.050 0.000 2.085 118 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 118 E C 2.150 178.738 176.600 -0.020 0.000 0.994 118 E CA 1.043 57.433 56.400 -0.016 0.000 0.801 118 E CB -0.271 29.433 29.700 0.006 0.000 0.743 118 E HN 0.307 nan 8.360 nan 0.000 0.453 119 L N 0.466 121.668 121.223 -0.036 0.000 2.046 119 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 119 L C 2.618 179.466 176.870 -0.036 0.000 1.077 119 L CA 0.883 55.704 54.840 -0.032 0.000 0.747 119 L CB -0.379 41.657 42.059 -0.039 0.000 0.896 119 L HN 0.029 nan 8.230 nan 0.000 0.432 120 S N -0.369 115.298 115.700 -0.055 0.000 2.370 120 S HA -0.198 4.272 4.470 -0.000 0.000 0.226 120 S C 1.944 176.527 174.600 -0.028 0.000 1.033 120 S CA 1.277 59.446 58.200 -0.052 0.000 1.011 120 S CB -0.105 63.050 63.200 -0.074 0.000 0.852 120 S HN 0.293 nan 8.310 nan 0.000 0.457 121 K N 0.146 120.534 120.400 -0.020 0.000 2.286 121 K HA -0.052 4.268 4.320 -0.000 0.000 0.203 121 K C 1.322 177.922 176.600 0.000 0.000 1.045 121 K CA 0.946 57.231 56.287 -0.004 0.000 0.935 121 K CB -0.055 32.447 32.500 0.002 0.000 0.737 121 K HN 0.096 nan 8.250 nan 0.000 0.460 122 R N 0.445 120.944 120.500 -0.003 0.000 2.468 122 R HA 0.138 4.478 4.340 -0.000 0.000 0.280 122 R C -0.226 176.072 176.300 -0.002 0.000 0.963 122 R CA -0.039 56.063 56.100 0.003 0.000 1.083 122 R CB 0.106 30.411 30.300 0.008 0.000 1.200 122 R HN 0.160 nan 8.270 nan 0.000 0.541 123 N N -0.934 117.762 118.700 -0.008 0.000 2.782 123 N HA -0.153 4.587 4.740 -0.000 0.000 0.251 123 N C -0.755 174.745 175.510 -0.016 0.000 1.101 123 N CA 0.844 53.888 53.050 -0.010 0.000 0.764 123 N CB -1.610 36.876 38.487 -0.002 0.000 1.122 123 N HN 0.019 nan 8.380 nan 0.000 0.561 124 V N 0.737 120.638 119.914 -0.022 0.000 2.614 124 V HA 0.100 4.220 4.120 -0.000 0.000 0.291 124 V C 1.031 177.097 176.094 -0.047 0.000 1.049 124 V CA -0.162 62.121 62.300 -0.028 0.000 1.038 124 V CB 1.215 33.022 31.823 -0.027 0.000 0.980 124 V HN 0.048 nan 8.190 nan 0.000 0.481 125 K N 4.407 124.775 120.400 -0.053 0.000 2.322 125 K HA 0.381 4.701 4.320 -0.000 0.000 0.283 125 K C -0.559 175.977 176.600 -0.105 0.000 1.042 125 K CA -0.019 56.216 56.287 -0.087 0.000 0.958 125 K CB 0.407 32.849 32.500 -0.097 0.000 0.984 125 K HN 0.409 nan 8.250 nan 0.000 0.473 126 I N 5.577 126.058 120.570 -0.148 0.000 2.378 126 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 126 I C -0.127 175.857 176.117 -0.222 0.000 0.992 126 I CA -0.555 60.652 61.300 -0.154 0.000 1.154 126 I CB 1.061 38.947 38.000 -0.191 0.000 1.315 126 I HN 0.506 nan 8.210 nan 0.000 0.448 127 I N 6.253 126.779 120.570 -0.074 0.000 2.389 127 I HA 0.379 4.549 4.170 -0.000 0.000 0.288 127 I C -0.410 175.832 176.117 0.210 0.000 0.999 127 I CA -0.481 60.823 61.300 0.007 0.000 1.129 127 I CB 1.430 39.510 38.000 0.132 0.000 1.288 127 I HN 0.290 nan 8.210 nan 0.000 0.444 128 F N 3.314 123.271 119.950 0.013 0.000 2.394 128 F HA 0.508 5.035 4.527 -0.000 0.000 0.340 128 F C 1.037 176.857 175.800 0.034 0.000 1.105 128 F CA -0.864 57.081 58.000 -0.092 0.000 1.124 128 F CB 1.782 40.718 39.000 -0.106 0.000 1.145 128 F HN 0.474 nan 8.300 nan 0.000 0.505 129 G N 4.854 113.658 108.800 0.006 0.000 2.468 129 G HA2 0.624 4.584 3.960 -0.000 0.000 0.315 129 G HA3 0.624 4.584 3.960 -0.000 0.000 0.315 129 G C -1.037 173.989 174.900 0.211 0.000 1.203 129 G CA -0.466 44.760 45.100 0.211 0.000 0.962 129 G HN 0.573 nan 8.290 nan 0.000 0.476 130 I N 1.939 122.695 120.570 0.311 0.000 2.378 130 I HA 0.251 4.421 4.170 -0.000 0.000 0.291 130 I C -0.372 175.938 176.117 0.321 0.000 0.992 130 I CA -0.997 60.438 61.300 0.225 0.000 1.154 130 I CB 1.970 40.095 38.000 0.210 0.000 1.315 130 I HN 0.431 nan 8.210 nan 0.000 0.448 131 W N 9.492 130.816 121.300 0.041 0.000 2.347 131 W HA 0.147 4.807 4.660 -0.000 0.000 0.333 131 W C -1.916 174.562 176.519 -0.068 0.000 1.383 131 W CA -1.581 55.746 57.345 -0.029 0.000 1.283 131 W CB 0.344 29.779 29.460 -0.042 0.000 1.253 131 W HN 0.389 nan 8.180 nan 0.000 0.563 132 P HA -0.194 nan 4.420 nan 0.000 0.216 132 P C -1.220 175.742 177.300 -0.563 0.000 1.150 132 P CA 2.509 65.225 63.100 -0.640 0.000 0.843 132 P CB -0.647 30.181 31.700 -1.453 0.000 0.787 133 P HA -0.125 nan 4.420 nan 0.000 0.220 133 P C 1.080 178.253 177.300 -0.212 0.000 1.144 133 P CA 1.369 64.160 63.100 -0.515 0.000 0.800 133 P CB -0.342 30.866 31.700 -0.819 0.000 0.772 134 V N -6.516 113.349 119.914 -0.081 0.000 3.346 134 V HA 0.224 4.344 4.120 -0.000 0.000 0.309 134 V C 1.726 177.925 176.094 0.175 0.000 1.457 134 V CA -0.342 62.003 62.300 0.075 0.000 1.069 134 V CB -1.273 30.634 31.823 0.140 0.000 0.944 134 V HN -0.052 nan 8.190 nan 0.000 0.449 135 Y N 2.669 122.980 120.300 0.018 0.000 2.145 135 Y HA -0.111 4.439 4.550 -0.000 0.000 0.286 135 Y C 2.223 178.221 175.900 0.163 0.000 1.145 135 Y CA 2.571 60.727 58.100 0.093 0.000 1.148 135 Y CB -0.257 38.206 38.460 0.005 0.000 0.981 135 Y HN 0.365 nan 8.280 nan 0.000 0.507 136 N N 0.671 119.425 118.700 0.091 0.000 2.084 136 N HA -0.218 4.522 4.740 -0.000 0.000 0.190 136 N C 2.059 177.569 175.510 -0.000 0.000 1.030 136 N CA 1.709 54.761 53.050 0.002 0.000 0.849 136 N CB -0.592 37.931 38.487 0.060 0.000 1.012 136 N HN 0.610 nan 8.380 nan 0.000 0.423 137 I N -0.587 120.014 120.570 0.051 0.000 2.286 137 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 137 I C 1.859 178.032 176.117 0.093 0.000 1.115 137 I CA 1.078 62.410 61.300 0.054 0.000 1.392 137 I CB -0.102 37.938 38.000 0.066 0.000 1.065 137 I HN 0.019 nan 8.210 nan 0.000 0.418 138 F N 1.297 121.270 119.950 0.039 0.000 2.075 138 F HA -0.297 4.230 4.527 -0.000 0.000 0.297 138 F C 2.427 178.295 175.800 0.113 0.000 1.113 138 F CA 1.912 59.998 58.000 0.142 0.000 1.218 138 F CB -0.252 38.829 39.000 0.134 0.000 0.984 138 F HN 0.002 nan 8.300 nan 0.000 0.472 139 M N 1.066 120.705 119.600 0.066 0.000 2.080 139 M HA -0.209 4.271 4.480 -0.000 0.000 0.260 139 M C 2.506 178.790 176.300 -0.027 0.000 1.068 139 M CA 2.421 57.722 55.300 0.002 0.000 1.109 139 M CB -1.894 30.614 32.600 -0.153 0.000 1.342 139 M HN 0.242 nan 8.290 nan 0.000 0.405 140 K N 0.781 121.136 120.400 -0.075 0.000 2.009 140 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 140 K C 1.712 178.188 176.600 -0.206 0.000 1.049 140 K CA 1.952 58.176 56.287 -0.106 0.000 0.929 140 K CB -1.617 30.833 32.500 -0.083 0.000 0.714 140 K HN 0.474 nan 8.250 nan 0.000 0.440 141 N N -0.781 117.734 118.700 -0.309 0.000 2.094 141 N HA -0.159 4.581 4.740 -0.000 0.000 0.191 141 N C 1.789 176.841 175.510 -0.762 0.000 1.023 141 N CA 1.824 54.512 53.050 -0.604 0.000 0.857 141 N CB -0.466 37.504 38.487 -0.862 0.000 1.013 141 N HN 0.636 nan 8.380 nan 0.000 0.426 142 Y N 2.144 121.997 120.300 -0.746 0.000 2.114 142 Y HA -0.244 4.306 4.550 -0.000 0.000 0.284 142 Y C 2.647 178.407 175.900 -0.233 0.000 1.143 142 Y CA 2.692 60.530 58.100 -0.437 0.000 1.135 142 Y CB -0.757 37.608 38.460 -0.157 0.000 0.980 142 Y HN 0.088 nan 8.280 nan 0.000 0.499 143 K N 0.556 120.786 120.400 -0.283 0.000 2.063 143 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 143 K C 1.525 177.962 176.600 -0.272 0.000 1.048 143 K CA 1.859 57.971 56.287 -0.292 0.000 0.928 143 K CB -1.306 31.122 32.500 -0.120 0.000 0.713 143 K HN 0.578 nan 8.250 nan 0.000 0.442 144 N N 0.089 118.640 118.700 -0.249 0.000 2.567 144 N HA 0.078 4.818 4.740 -0.000 0.000 0.195 144 N C 1.088 176.456 175.510 -0.236 0.000 1.242 144 N CA 0.838 53.758 53.050 -0.215 0.000 0.884 144 N CB -0.100 38.269 38.487 -0.195 0.000 1.007 144 N HN 0.692 nan 8.380 nan 0.000 0.450 145 G N 0.114 108.741 108.800 -0.289 0.000 2.258 145 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.274 145 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.274 145 G C 1.229 175.999 174.900 -0.216 0.000 1.021 145 G CA 1.114 46.074 45.100 -0.234 0.000 0.798 145 G HN 0.640 nan 8.290 nan 0.000 0.507 146 K N -0.949 119.229 120.400 -0.370 0.000 2.365 146 K HA 0.401 4.721 4.320 -0.000 0.000 0.199 146 K C 1.618 178.078 176.600 -0.232 0.000 1.045 146 K CA 1.676 57.735 56.287 -0.380 0.000 0.962 146 K CB -0.354 31.798 32.500 -0.579 0.000 0.759 146 K HN 0.558 nan 8.250 nan 0.000 0.469 147 F N 1.107 121.017 119.950 -0.065 0.000 2.678 147 F HA 0.187 4.714 4.527 -0.000 0.000 0.305 147 F C 1.169 177.019 175.800 0.083 0.000 1.090 147 F CA -1.153 56.822 58.000 -0.041 0.000 1.272 147 F CB 0.277 39.264 39.000 -0.022 0.000 1.060 147 F HN 0.114 nan 8.300 nan 0.000 0.576 148 D N 0.978 121.491 120.400 0.189 0.000 2.133 148 D HA -0.217 4.423 4.640 -0.000 0.000 0.192 148 D C 1.622 178.016 176.300 0.157 0.000 1.001 148 D CA 1.645 55.736 54.000 0.151 0.000 0.844 148 D CB -0.371 40.461 40.800 0.052 0.000 0.944 148 D HN 0.236 nan 8.370 nan 0.000 0.447 149 N N 0.975 119.747 118.700 0.120 0.000 2.069 149 N HA -0.122 4.618 4.740 -0.000 0.000 0.191 149 N C 1.191 176.793 175.510 0.153 0.000 1.031 149 N CA 1.096 54.209 53.050 0.106 0.000 0.852 149 N CB -0.263 38.264 38.487 0.067 0.000 1.018 149 N HN 0.207 nan 8.380 nan 0.000 0.423 150 D N -0.178 120.336 120.400 0.190 0.000 2.348 150 D HA -0.005 4.635 4.640 -0.000 0.000 0.216 150 D C 1.282 177.883 176.300 0.502 0.000 0.970 150 D CA 0.573 54.725 54.000 0.252 0.000 0.889 150 D CB -0.011 40.791 40.800 0.004 0.000 0.912 150 D HN 0.401 nan 8.370 nan 0.000 0.524 151 M N 0.086 119.954 119.600 0.446 0.000 2.556 151 M HA 0.119 4.599 4.480 -0.000 0.000 0.245 151 M C 0.540 176.968 176.300 0.214 0.000 1.128 151 M CA 0.052 55.586 55.300 0.390 0.000 1.069 151 M CB 0.636 33.470 32.600 0.389 0.000 1.469 151 M HN -0.186 nan 8.290 nan 0.000 0.494 152 I N 0.960 121.638 120.570 0.181 0.000 2.581 152 I HA -0.091 4.079 4.170 -0.000 0.000 0.285 152 I C 0.948 177.126 176.117 0.102 0.000 1.129 152 I CA -0.133 61.238 61.300 0.118 0.000 1.397 152 I CB 0.568 38.626 38.000 0.097 0.000 1.399 152 I HN 0.139 nan 8.210 nan 0.000 0.537 153 I N 4.998 125.612 120.570 0.073 0.000 2.404 153 I HA -0.101 4.069 4.170 -0.000 0.000 0.231 153 I C 2.312 178.456 176.117 0.046 0.000 1.064 153 I CA 2.142 63.474 61.300 0.054 0.000 1.383 153 I CB -0.299 37.722 38.000 0.035 0.000 1.171 153 I HN 0.724 nan 8.210 nan 0.000 0.422 154 D N -0.502 119.920 120.400 0.038 0.000 2.392 154 D HA 0.290 4.930 4.640 -0.000 0.000 0.206 154 D C 1.624 177.943 176.300 0.031 0.000 1.046 154 D CA 1.217 55.236 54.000 0.031 0.000 0.865 154 D CB 0.095 40.910 40.800 0.024 0.000 0.969 154 D HN 0.328 nan 8.370 nan 0.000 0.509 155 K N -2.118 118.303 120.400 0.035 0.000 3.606 155 K HA -0.286 4.034 4.320 -0.000 0.000 0.289 155 K C 1.508 178.123 176.600 0.026 0.000 1.221 155 K CA 2.728 59.034 56.287 0.032 0.000 1.028 155 K CB -2.913 29.604 32.500 0.027 0.000 1.299 155 K HN 1.228 nan 8.250 nan 0.000 0.454 156 D N -0.634 119.781 120.400 0.025 0.000 2.183 156 D HA 0.460 5.100 4.640 -0.000 0.000 0.205 156 D C 1.296 177.610 176.300 0.023 0.000 0.962 156 D CA 2.661 56.674 54.000 0.021 0.000 0.849 156 D CB -0.148 nan 40.800 nan 0.000 0.978 156 D HN 1.627 nan 8.370 nan 0.000 0.488 157 K N -0.502 119.915 120.400 0.027 0.000 2.444 157 K HA 0.733 5.053 4.320 -0.000 0.000 0.252 157 K C -1.000 175.623 176.600 0.038 0.000 0.993 157 K CA -0.723 55.581 56.287 0.028 0.000 0.847 157 K CB 1.894 34.407 32.500 0.022 0.000 1.340 157 K HN 0.278 nan 8.250 nan 0.000 0.446 158 K N 1.737 122.161 120.400 0.039 0.000 2.482 158 K HA 0.455 4.775 4.320 -0.000 0.000 0.251 158 K C -0.493 176.134 176.600 0.045 0.000 0.936 158 K CA -0.679 55.642 56.287 0.056 0.000 0.791 158 K CB 1.598 34.137 32.500 0.065 0.000 1.213 158 K HN 0.763 nan 8.250 nan 0.000 0.428 159 M N 1.923 121.552 119.600 0.049 0.000 2.234 159 M HA -0.102 4.378 4.480 -0.000 0.000 0.326 159 M C 0.342 176.648 176.300 0.010 0.000 1.077 159 M CA 1.218 56.520 55.300 0.004 0.000 1.052 159 M CB 0.058 32.643 32.600 -0.025 0.000 1.607 159 M HN 0.791 nan 8.290 nan 0.000 0.445 160 N N 4.466 123.145 118.700 -0.035 0.000 2.346 160 N HA 0.668 5.408 4.740 -0.000 0.000 0.289 160 N C -1.230 174.214 175.510 -0.111 0.000 1.027 160 N CA -0.703 52.326 53.050 -0.035 0.000 0.864 160 N CB 1.152 39.626 38.487 -0.021 0.000 1.370 160 N HN 0.662 nan 8.380 nan 0.000 0.481 161 I N 2.422 122.914 120.570 -0.129 0.000 2.354 161 I HA 0.220 4.389 4.170 -0.000 0.000 0.286 161 I C 1.143 177.140 176.117 -0.200 0.000 1.007 161 I CA -0.502 60.623 61.300 -0.292 0.000 1.167 161 I CB 2.042 39.763 38.000 -0.464 0.000 1.320 161 I HN 0.625 nan 8.210 nan 0.000 0.458 162 L N 4.677 125.770 121.223 -0.216 0.000 2.083 162 L HA 0.094 4.434 4.340 -0.000 0.000 0.209 162 L C 0.234 177.049 176.870 -0.092 0.000 1.083 162 L CA 2.094 56.839 54.840 -0.160 0.000 0.752 162 L CB -0.137 41.745 42.059 -0.294 0.000 0.899 162 L HN 0.645 nan 8.230 nan 0.000 0.433 163 D N -2.167 118.150 120.400 -0.139 0.000 2.683 163 D HA 0.363 5.003 4.640 -0.000 0.000 0.246 163 D C -1.444 174.854 176.300 -0.003 0.000 1.238 163 D CA -0.324 53.681 54.000 0.007 0.000 0.759 163 D CB 1.243 42.121 40.800 0.130 0.000 1.349 163 D HN -0.078 nan 8.370 nan 0.000 0.426 164 M N 1.837 121.519 119.600 0.135 0.000 2.259 164 M HA 0.536 5.016 4.480 -0.000 0.000 0.304 164 M C -1.424 175.103 176.300 0.379 0.000 1.019 164 M CA -0.514 54.940 55.300 0.256 0.000 0.922 164 M CB 1.899 34.659 32.600 0.266 0.000 1.600 164 M HN 0.132 nan 8.290 nan 0.000 0.433 165 L N 5.662 127.135 121.223 0.417 0.000 2.408 165 L HA 0.693 5.033 4.340 -0.000 0.000 0.268 165 L C -2.297 174.747 176.870 0.289 0.000 0.986 165 L CA -1.997 53.051 54.840 0.347 0.000 0.820 165 L CB 2.086 44.336 42.059 0.320 0.000 1.303 165 L HN 0.406 nan 8.230 nan 0.000 0.411 166 P HA 0.217 nan 4.420 nan 0.000 0.271 166 P C -1.181 176.290 177.300 0.285 0.000 1.216 166 P CA -0.003 62.998 63.100 -0.165 0.000 0.771 166 P CB 0.655 32.037 31.700 -0.530 0.000 0.864 167 F N 2.608 122.664 119.950 0.177 0.000 2.605 167 F HA 0.388 4.915 4.527 -0.000 0.000 0.320 167 F C -1.848 174.178 175.800 0.376 0.000 1.159 167 F CA -0.870 57.322 58.000 0.321 0.000 0.999 167 F CB 1.798 41.021 39.000 0.372 0.000 1.258 167 F HN 0.113 nan 8.300 nan 0.000 0.464 168 D N 4.528 124.818 120.400 -0.183 0.000 2.471 168 D HA 0.480 5.120 4.640 -0.000 0.000 0.245 168 D C 0.160 176.115 176.300 -0.574 0.000 1.116 168 D CA -0.084 53.833 54.000 -0.139 0.000 0.853 168 D CB 2.171 43.258 40.800 0.479 0.000 1.123 168 D HN 0.724 nan 8.370 nan 0.000 0.540 169 A N 2.634 124.972 122.820 -0.804 0.000 2.235 169 A HA 0.019 4.339 4.320 -0.000 0.000 0.208 169 A C 1.796 179.239 177.584 -0.234 0.000 1.172 169 A CA 0.406 52.138 52.037 -0.509 0.000 0.786 169 A CB 0.013 18.833 19.000 -0.300 0.000 0.804 169 A HN 0.464 nan 8.150 nan 0.000 0.479 170 S N -0.466 115.018 115.700 -0.360 0.000 2.428 170 S HA 0.114 4.584 4.470 -0.000 0.000 0.230 170 S C -0.121 174.229 174.600 -0.416 0.000 1.014 170 S CA 0.523 58.429 58.200 -0.489 0.000 0.957 170 S CB -0.208 62.424 63.200 -0.948 0.000 0.784 170 S HN 0.493 nan 8.310 nan 0.000 0.499 171 F N 1.923 121.919 119.950 0.077 0.000 2.426 171 F HA 0.420 4.947 4.527 -0.000 0.000 0.348 171 F C 0.833 176.673 175.800 0.067 0.000 1.124 171 F CA -1.915 56.130 58.000 0.075 0.000 1.008 171 F CB 0.974 40.022 39.000 0.080 0.000 1.139 171 F HN -0.107 nan 8.300 nan 0.000 0.452 172 D N 0.578 121.131 120.400 0.255 0.000 2.120 172 D HA -0.040 4.600 4.640 -0.000 0.000 0.202 172 D C 0.998 177.259 176.300 -0.066 0.000 0.972 172 D CA 1.512 55.602 54.000 0.150 0.000 0.837 172 D CB 0.186 41.154 40.800 0.280 0.000 0.989 172 D HN 0.554 nan 8.370 nan 0.000 0.469 173 T N -3.701 110.851 114.554 -0.004 0.000 2.896 173 T HA 0.612 4.962 4.350 -0.000 0.000 0.297 173 T C 1.070 175.725 174.700 -0.075 0.000 1.108 173 T CA -0.245 61.804 62.100 -0.085 0.000 1.004 173 T CB 2.256 71.098 68.868 -0.044 0.000 1.159 173 T HN -0.060 nan 8.240 nan 0.000 0.499 174 A N 1.791 124.532 122.820 -0.133 0.000 1.985 174 A HA -0.217 4.103 4.320 -0.000 0.000 0.223 174 A C 2.064 179.564 177.584 -0.141 0.000 1.189 174 A CA 2.157 54.088 52.037 -0.176 0.000 0.658 174 A CB -1.195 17.715 19.000 -0.151 0.000 0.820 174 A HN 0.881 nan 8.150 nan 0.000 0.464 175 N N -0.004 118.649 118.700 -0.078 0.000 2.459 175 N HA -0.085 4.655 4.740 -0.000 0.000 0.181 175 N C 0.536 176.024 175.510 -0.038 0.000 1.046 175 N CA 1.163 54.183 53.050 -0.051 0.000 0.904 175 N CB -0.249 38.228 38.487 -0.017 0.000 0.964 175 N HN 0.536 nan 8.380 nan 0.000 0.444 176 D N 0.915 121.302 120.400 -0.021 0.000 2.289 176 D HA 0.072 4.712 4.640 -0.000 0.000 0.207 176 D C 0.735 177.011 176.300 -0.040 0.000 0.966 176 D CA 0.114 54.143 54.000 0.047 0.000 0.868 176 D CB 0.630 41.539 40.800 0.182 0.000 0.943 176 D HN 0.263 nan 8.370 nan 0.000 0.514 177 I N 4.159 124.545 120.570 -0.307 0.000 2.581 177 I HA -0.061 4.109 4.170 -0.000 0.000 0.285 177 I C 0.793 176.729 176.117 -0.302 0.000 1.129 177 I CA -0.135 60.777 61.300 -0.647 0.000 1.397 177 I CB 0.213 37.817 38.000 -0.660 0.000 1.399 177 I HN -0.069 nan 8.210 nan 0.000 0.537 178 D N 5.373 125.652 120.400 -0.202 0.000 2.414 178 D HA 0.042 4.682 4.640 -0.000 0.000 0.242 178 D C 1.123 177.361 176.300 -0.104 0.000 1.129 178 D CA 0.167 54.117 54.000 -0.084 0.000 0.885 178 D CB 1.042 41.840 40.800 -0.004 0.000 1.198 178 D HN 0.670 nan 8.370 nan 0.000 0.437 179 E N 2.224 122.383 120.200 -0.067 0.000 2.108 179 E HA -0.336 4.014 4.350 -0.000 0.000 0.203 179 E C 1.751 178.317 176.600 -0.056 0.000 1.022 179 E CA 2.160 58.527 56.400 -0.056 0.000 0.823 179 E CB -0.908 28.771 29.700 -0.035 0.000 0.744 179 E HN 0.834 nan 8.360 nan 0.000 0.456 180 E N -0.528 119.643 120.200 -0.050 0.000 2.031 180 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 180 E C 2.457 179.007 176.600 -0.083 0.000 0.994 180 E CA 1.716 58.088 56.400 -0.047 0.000 0.800 180 E CB -0.257 29.424 29.700 -0.031 0.000 0.752 180 E HN 0.525 nan 8.360 nan 0.000 0.447 181 T N 0.433 114.907 114.554 -0.133 0.000 2.684 181 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 181 T C 2.187 176.745 174.700 -0.237 0.000 1.036 181 T CA 2.561 64.492 62.100 -0.282 0.000 1.148 181 T CB -0.465 68.206 68.868 -0.329 0.000 0.863 181 T HN 0.348 nan 8.240 nan 0.000 0.436 182 K N 1.899 122.220 120.400 -0.132 0.000 2.209 182 K HA -0.024 4.296 4.320 -0.000 0.000 0.204 182 K C 1.815 178.435 176.600 0.033 0.000 1.048 182 K CA 1.334 57.616 56.287 -0.009 0.000 0.940 182 K CB -0.627 31.850 32.500 -0.038 0.000 0.729 182 K HN 0.427 nan 8.250 nan 0.000 0.451 183 N N 0.416 119.115 118.700 -0.002 0.000 2.280 183 N HA -0.044 4.696 4.740 -0.000 0.000 0.192 183 N C -0.035 175.491 175.510 0.026 0.000 1.109 183 N CA -0.207 52.853 53.050 0.016 0.000 0.855 183 N CB 0.051 38.539 38.487 0.001 0.000 0.974 183 N HN 0.544 nan 8.380 nan 0.000 0.482 184 N N 2.362 121.076 118.700 0.023 0.000 2.454 184 N HA -0.074 4.666 4.740 -0.000 0.000 0.254 184 N C 1.137 176.702 175.510 0.093 0.000 1.228 184 N CA 0.218 53.297 53.050 0.047 0.000 0.900 184 N CB 1.120 39.619 38.487 0.021 0.000 1.089 184 N HN 0.008 nan 8.380 nan 0.000 0.449 185 K N 3.318 123.754 120.400 0.061 0.000 2.144 185 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 185 K C 1.244 177.869 176.600 0.041 0.000 1.047 185 K CA 1.412 57.726 56.287 0.044 0.000 0.927 185 K CB 0.125 32.641 32.500 0.026 0.000 0.716 185 K HN 0.596 nan 8.250 nan 0.000 0.454 186 R N -1.302 119.231 120.500 0.056 0.000 2.246 186 R HA -0.038 4.302 4.340 -0.000 0.000 0.199 186 R C 1.476 177.681 176.300 -0.158 0.000 0.984 186 R CA 0.656 56.725 56.100 -0.052 0.000 1.015 186 R CB 0.127 30.352 30.300 -0.124 0.000 0.930 186 R HN 0.297 nan 8.270 nan 0.000 0.475 187 Y N -0.048 120.176 120.300 -0.126 0.000 2.558 187 Y HA 0.103 4.653 4.550 -0.000 0.000 0.273 187 Y C 2.043 177.907 175.900 -0.059 0.000 1.100 187 Y CA -0.348 57.645 58.100 -0.177 0.000 1.276 187 Y CB -0.423 37.921 38.460 -0.194 0.000 1.196 187 Y HN 0.043 nan 8.280 nan 0.000 0.527 188 N N 1.216 119.996 118.700 0.134 0.000 2.089 188 N HA -0.270 4.470 4.740 -0.000 0.000 0.198 188 N C 1.953 177.511 175.510 0.079 0.000 1.017 188 N CA 2.237 55.343 53.050 0.094 0.000 0.880 188 N CB -0.222 38.303 38.487 0.063 0.000 1.042 188 N HN 0.438 nan 8.380 nan 0.000 0.446 189 M N 0.295 119.927 119.600 0.054 0.000 2.558 189 M HA 0.103 4.583 4.480 -0.000 0.000 0.255 189 M C -0.245 176.087 176.300 0.053 0.000 1.113 189 M CA 0.606 55.937 55.300 0.050 0.000 1.097 189 M CB 0.167 32.794 32.600 0.045 0.000 1.426 189 M HN -0.037 nan 8.290 nan 0.000 0.488 190 L N 1.942 123.190 121.223 0.042 0.000 2.352 190 L HA 0.492 4.831 4.340 -0.000 0.000 0.269 190 L C -0.503 176.503 176.870 0.227 0.000 1.034 190 L CA -0.902 53.962 54.840 0.041 0.000 0.806 190 L CB 1.857 43.809 42.059 -0.178 0.000 1.244 190 L HN 0.289 nan 8.230 nan 0.000 0.447 191 Q N 0.192 120.127 119.800 0.224 0.000 2.553 191 Q HA 0.445 4.784 4.340 -0.000 0.000 0.293 191 Q C -1.013 175.074 176.000 0.145 0.000 1.038 191 Q CA -1.157 54.757 55.803 0.185 0.000 0.777 191 Q CB 1.412 30.197 28.738 0.077 0.000 1.487 191 Q HN 0.490 nan 8.270 nan 0.000 0.426 192 N N 0.211 118.893 118.700 -0.030 0.000 2.688 192 N HA -0.221 4.519 4.740 -0.000 0.000 0.258 192 N C -0.682 174.868 175.510 0.067 0.000 1.016 192 N CA 1.441 54.465 53.050 -0.043 0.000 0.747 192 N CB -1.206 37.283 38.487 0.004 0.000 0.895 192 N HN 0.802 nan 8.380 nan 0.000 0.543 193 Y N -2.383 117.980 120.300 0.105 0.000 2.500 193 Y HA 0.241 4.791 4.550 -0.000 0.000 0.246 193 Y C 1.279 177.339 175.900 0.267 0.000 1.146 193 Y CA -0.149 58.066 58.100 0.192 0.000 1.230 193 Y CB -0.354 38.191 38.460 0.143 0.000 1.214 193 Y HN 0.103 nan 8.280 nan 0.000 0.526 194 T N -1.328 113.268 114.554 0.070 0.000 2.813 194 T HA 0.191 4.541 4.350 -0.000 0.000 0.297 194 T C 1.332 176.182 174.700 0.250 0.000 1.036 194 T CA -0.234 61.962 62.100 0.160 0.000 1.044 194 T CB 0.952 69.812 68.868 -0.012 0.000 0.993 194 T HN 0.319 nan 8.240 nan 0.000 0.535 195 I N 0.337 121.070 120.570 0.272 0.000 2.163 195 I HA -0.174 3.996 4.170 -0.000 0.000 0.243 195 I C 2.875 179.000 176.117 0.014 0.000 1.085 195 I CA 1.991 63.508 61.300 0.363 0.000 1.347 195 I CB -0.511 37.706 38.000 0.361 0.000 1.044 195 I HN 0.881 nan 8.210 nan 0.000 0.408 196 E N 1.133 121.112 120.200 -0.368 0.000 2.047 196 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 196 E C 1.701 178.169 176.600 -0.219 0.000 0.987 196 E CA 1.574 57.660 56.400 -0.522 0.000 0.799 196 E CB 0.079 29.356 29.700 -0.705 0.000 0.752 196 E HN 0.413 nan 8.360 nan 0.000 0.449 197 D N 0.181 120.495 120.400 -0.143 0.000 2.117 197 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 197 D C 2.088 178.349 176.300 -0.065 0.000 0.987 197 D CA 0.846 54.790 54.000 -0.092 0.000 0.829 197 D CB -0.196 40.548 40.800 -0.093 0.000 0.961 197 D HN 0.120 nan 8.370 nan 0.000 0.460 198 V N 1.468 121.376 119.914 -0.009 0.000 2.358 198 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 198 V C 2.524 178.458 176.094 -0.267 0.000 1.047 198 V CA 1.649 63.924 62.300 -0.042 0.000 1.035 198 V CB -0.714 31.162 31.823 0.088 0.000 0.658 198 V HN 0.172 nan 8.190 nan 0.000 0.452 199 A N 0.584 123.148 122.820 -0.427 0.000 1.851 199 A HA -0.312 4.008 4.320 -0.000 0.000 0.216 199 A C 2.030 179.389 177.584 -0.375 0.000 1.195 199 A CA 2.503 54.064 52.037 -0.794 0.000 0.622 199 A CB -0.979 17.526 19.000 -0.825 0.000 0.831 199 A HN 0.690 nan 8.150 nan 0.000 0.444 200 N N -0.519 118.062 118.700 -0.199 0.000 2.104 200 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 200 N C 1.673 177.152 175.510 -0.051 0.000 1.024 200 N CA 1.280 54.286 53.050 -0.074 0.000 0.853 200 N CB -0.267 38.187 38.487 -0.054 0.000 1.008 200 N HN 0.386 nan 8.380 nan 0.000 0.424 201 L N 1.591 122.771 121.223 -0.072 0.000 1.989 201 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 201 L C 1.841 178.700 176.870 -0.018 0.000 1.071 201 L CA 1.486 56.301 54.840 -0.041 0.000 0.749 201 L CB -0.572 41.477 42.059 -0.016 0.000 0.890 201 L HN 0.213 nan 8.230 nan 0.000 0.431 202 I N -1.227 119.332 120.570 -0.018 0.000 2.226 202 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 202 I C 2.530 178.727 176.117 0.133 0.000 1.100 202 I CA 1.428 62.785 61.300 0.096 0.000 1.374 202 I CB -0.511 37.470 38.000 -0.032 0.000 1.057 202 I HN 0.437 nan 8.210 nan 0.000 0.413 203 H N 1.293 120.319 119.070 -0.073 0.000 2.321 203 H HA -0.184 4.372 4.556 -0.000 0.000 0.300 203 H C 2.313 177.612 175.328 -0.048 0.000 1.087 203 H CA 2.500 58.514 56.048 -0.057 0.000 1.319 203 H CB -0.419 29.284 29.762 -0.099 0.000 1.379 203 H HN 0.353 nan 8.280 nan 0.000 0.501 204 Q N 1.406 121.107 119.800 -0.166 0.000 2.061 204 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 204 Q C 2.414 178.277 176.000 -0.227 0.000 0.984 204 Q CA 2.027 57.693 55.803 -0.229 0.000 0.846 204 Q CB -0.519 28.132 28.738 -0.145 0.000 0.902 204 Q HN 0.637 nan 8.270 nan 0.000 0.421 205 K N -1.683 118.577 120.400 -0.233 0.000 2.116 205 K HA 0.018 4.338 4.320 -0.000 0.000 0.203 205 K C 1.167 177.397 176.600 -0.616 0.000 1.052 205 K CA 1.431 57.421 56.287 -0.494 0.000 0.952 205 K CB 0.226 32.287 32.500 -0.732 0.000 0.729 205 K HN 0.692 nan 8.250 nan 0.000 0.446 206 Y N -0.783 119.502 120.300 -0.024 0.000 2.563 206 Y HA 0.243 4.793 4.550 -0.000 0.000 0.250 206 Y C 0.883 176.794 175.900 0.018 0.000 1.126 206 Y CA -0.111 57.990 58.100 0.001 0.000 1.231 206 Y CB 1.148 39.620 38.460 0.020 0.000 1.288 206 Y HN 0.164 nan 8.280 nan 0.000 0.537 207 G N 1.421 110.292 108.800 0.120 0.000 2.593 207 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.237 207 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.237 207 G C -0.474 174.631 174.900 0.343 0.000 1.312 207 G CA -0.743 44.474 45.100 0.195 0.000 0.896 207 G HN 0.146 nan 8.290 nan 0.000 0.574 208 K N 0.527 121.076 120.400 0.248 0.000 2.326 208 K HA 0.470 4.790 4.320 -0.000 0.000 0.275 208 K C 0.925 177.581 176.600 0.093 0.000 1.018 208 K CA 0.430 56.784 56.287 0.111 0.000 0.962 208 K CB 0.829 33.359 32.500 0.051 0.000 0.953 208 K HN 0.666 nan 8.250 nan 0.000 0.475 209 I N -0.396 120.218 120.570 0.073 0.000 2.947 209 I HA 0.325 4.495 4.170 -0.000 0.000 0.314 209 I C 0.412 176.564 176.117 0.058 0.000 1.028 209 I CA -0.818 60.528 61.300 0.077 0.000 1.077 209 I CB 1.606 39.673 38.000 0.112 0.000 1.274 209 I HN 0.578 nan 8.210 nan 0.000 0.485 210 N N 2.640 121.367 118.700 0.046 0.000 2.143 210 N HA 0.291 5.031 4.740 -0.000 0.000 0.222 210 N C -0.643 174.877 175.510 0.017 0.000 1.264 210 N CA -0.163 52.903 53.050 0.027 0.000 0.897 210 N CB 0.682 39.179 38.487 0.016 0.000 1.092 210 N HN 0.730 nan 8.380 nan 0.000 0.516 211 M N 1.050 120.667 119.600 0.028 0.000 2.324 211 M HA 0.404 4.884 4.480 -0.000 0.000 0.288 211 M C -2.012 174.298 176.300 0.016 0.000 1.097 211 M CA -0.813 54.490 55.300 0.006 0.000 0.928 211 M CB 3.077 35.672 32.600 -0.008 0.000 1.648 211 M HN -0.020 nan 8.290 nan 0.000 0.460 212 L N 4.086 125.295 121.223 -0.023 0.000 2.438 212 L HA 0.763 5.103 4.340 -0.000 0.000 0.270 212 L C -1.742 175.068 176.870 -0.100 0.000 0.972 212 L CA -0.506 54.295 54.840 -0.065 0.000 0.831 212 L CB 2.104 44.105 42.059 -0.097 0.000 1.273 212 L HN 0.503 nan 8.230 nan 0.000 0.405 213 V N 4.722 124.545 119.914 -0.151 0.000 2.409 213 V HA 0.379 4.499 4.120 -0.000 0.000 0.291 213 V C -0.585 175.409 176.094 -0.166 0.000 1.020 213 V CA -0.616 61.598 62.300 -0.143 0.000 0.848 213 V CB 1.307 33.041 31.823 -0.150 0.000 0.990 213 V HN 0.755 nan 8.190 nan 0.000 0.430 214 H N 3.830 122.795 119.070 -0.174 0.000 2.640 214 H HA 0.425 4.981 4.556 -0.000 0.000 0.297 214 H C -0.343 174.915 175.328 -0.118 0.000 1.073 214 H CA 0.059 56.023 56.048 -0.140 0.000 1.305 214 H CB 1.621 31.322 29.762 -0.102 0.000 1.404 214 H HN 0.607 nan 8.280 nan 0.000 0.459 215 S N 6.790 122.343 115.700 -0.245 0.000 2.526 215 S HA 0.305 4.775 4.470 -0.000 0.000 0.220 215 S C -1.261 173.212 174.600 -0.211 0.000 1.159 215 S CA -0.682 57.431 58.200 -0.145 0.000 1.196 215 S CB -0.972 62.152 63.200 -0.127 0.000 1.225 215 S HN 0.633 nan 8.310 nan 0.000 0.432 216 L N -0.447 120.581 121.223 -0.325 0.000 2.465 216 L HA 1.124 5.464 4.340 -0.000 0.000 0.257 216 L C -0.893 175.863 176.870 -0.190 0.000 0.988 216 L CA -0.880 53.771 54.840 -0.315 0.000 0.827 216 L CB 1.494 43.291 42.059 -0.436 0.000 1.397 216 L HN 0.122 nan 8.230 nan 0.000 0.410 217 A N 1.483 124.191 122.820 -0.186 0.000 2.605 217 A HA 0.851 5.171 4.320 -0.000 0.000 0.294 217 A C -1.625 175.831 177.584 -0.214 0.000 1.062 217 A CA -0.473 51.485 52.037 -0.132 0.000 0.682 217 A CB 1.592 20.566 19.000 -0.043 0.000 1.278 217 A HN 0.943 nan 8.150 nan 0.000 0.410 218 N N -1.204 117.376 118.700 -0.201 0.000 2.598 218 N HA 0.723 5.463 4.740 -0.000 0.000 0.263 218 N C -1.300 174.120 175.510 -0.151 0.000 1.254 218 N CA 0.027 52.955 53.050 -0.203 0.000 0.863 218 N CB 2.223 40.531 38.487 -0.299 0.000 1.586 218 N HN 1.454 nan 8.380 nan 0.000 0.491 219 A N 1.415 124.162 122.820 -0.122 0.000 2.500 219 A HA 0.272 4.592 4.320 -0.000 0.000 0.288 219 A C 0.058 177.601 177.584 -0.067 0.000 1.045 219 A CA -0.555 51.419 52.037 -0.106 0.000 0.830 219 A CB 1.006 19.915 19.000 -0.152 0.000 1.337 219 A HN 0.744 nan 8.150 nan 0.000 0.400 220 K N 0.824 121.202 120.400 -0.036 0.000 2.152 220 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 220 K C 0.449 177.037 176.600 -0.020 0.000 1.048 220 K CA 1.763 58.043 56.287 -0.011 0.000 0.933 220 K CB 0.201 32.704 32.500 0.005 0.000 0.721 220 K HN 0.777 nan 8.250 nan 0.000 0.447 221 E N 0.581 120.761 120.200 -0.033 0.000 2.609 221 E HA 0.006 4.356 4.350 -0.000 0.000 0.208 221 E C 0.744 177.308 176.600 -0.060 0.000 1.013 221 E CA -0.158 56.223 56.400 -0.032 0.000 1.093 221 E CB 0.872 30.566 29.700 -0.010 0.000 1.129 221 E HN -0.012 nan 8.360 nan 0.000 0.450 222 V N 0.668 120.526 119.914 -0.093 0.000 2.720 222 V HA -0.280 3.840 4.120 -0.000 0.000 0.256 222 V C 1.776 177.789 176.094 -0.135 0.000 1.082 222 V CA 1.938 64.145 62.300 -0.154 0.000 1.101 222 V CB -0.060 31.642 31.823 -0.202 0.000 0.693 222 V HN 0.374 nan 8.190 nan 0.000 0.479 223 Q N -0.354 119.394 119.800 -0.086 0.000 2.369 223 Q HA -0.005 4.335 4.340 -0.000 0.000 0.206 223 Q C 0.457 176.429 176.000 -0.048 0.000 0.963 223 Q CA 0.652 56.417 55.803 -0.064 0.000 0.894 223 Q CB 0.161 28.877 28.738 -0.036 0.000 0.965 223 Q HN 0.599 nan 8.270 nan 0.000 0.475 224 K N 1.772 122.146 120.400 -0.043 0.000 2.110 224 K HA 0.124 4.444 4.320 -0.000 0.000 0.263 224 K C -0.690 175.895 176.600 -0.026 0.000 0.975 224 K CA -0.704 55.567 56.287 -0.026 0.000 0.895 224 K CB 0.993 33.484 32.500 -0.014 0.000 1.060 224 K HN 0.001 nan 8.250 nan 0.000 0.448 225 D N 1.126 121.519 120.400 -0.012 0.000 2.360 225 D HA -0.055 4.585 4.640 -0.000 0.000 0.242 225 D C 0.955 177.261 176.300 0.010 0.000 1.184 225 D CA -0.603 53.397 54.000 -0.001 0.000 0.930 225 D CB 0.525 41.328 40.800 0.006 0.000 1.161 225 D HN 0.267 nan 8.370 nan 0.000 0.447 226 L N 0.631 121.870 121.223 0.026 0.000 1.990 226 L HA -0.153 4.187 4.340 -0.000 0.000 0.213 226 L C 2.070 178.952 176.870 0.021 0.000 1.072 226 L CA 1.634 56.501 54.840 0.046 0.000 0.755 226 L CB -0.770 41.329 42.059 0.067 0.000 0.889 226 L HN 0.668 nan 8.230 nan 0.000 0.432 227 L N -0.389 120.839 121.223 0.008 0.000 2.129 227 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 227 L C 1.545 178.408 176.870 -0.012 0.000 1.087 227 L CA 1.603 56.438 54.840 -0.008 0.000 0.757 227 L CB -0.421 41.636 42.059 -0.004 0.000 0.896 227 L HN 0.516 nan 8.230 nan 0.000 0.434 228 N N -1.035 117.663 118.700 -0.004 0.000 2.280 228 N HA 0.022 4.762 4.740 -0.000 0.000 0.192 228 N C 0.113 175.622 175.510 -0.001 0.000 1.109 228 N CA 0.148 53.195 53.050 -0.005 0.000 0.855 228 N CB 0.269 38.754 38.487 -0.004 0.000 0.974 228 N HN 0.183 nan 8.380 nan 0.000 0.482 229 T N 1.157 115.716 114.554 0.008 0.000 2.870 229 T HA 0.114 4.464 4.350 -0.000 0.000 0.300 229 T C 0.945 175.653 174.700 0.013 0.000 0.989 229 T CA -0.241 61.874 62.100 0.025 0.000 1.139 229 T CB 0.955 69.868 68.868 0.074 0.000 0.920 229 T HN 0.178 nan 8.240 nan 0.000 0.537 230 S N 3.300 119.012 115.700 0.020 0.000 2.624 230 S HA 0.276 4.746 4.470 -0.000 0.000 0.263 230 S C 1.416 176.034 174.600 0.029 0.000 1.287 230 S CA -0.870 57.337 58.200 0.011 0.000 0.990 230 S CB 0.993 64.201 63.200 0.012 0.000 0.950 230 S HN 0.765 nan 8.310 nan 0.000 0.561 231 R N 0.936 121.441 120.500 0.009 0.000 2.080 231 R HA -0.105 4.235 4.340 -0.000 0.000 0.236 231 R C 2.681 179.026 176.300 0.075 0.000 1.137 231 R CA 2.074 58.190 56.100 0.026 0.000 0.943 231 R CB -1.226 29.074 30.300 0.000 0.000 0.846 231 R HN 0.833 nan 8.270 nan 0.000 0.431 232 K N 0.020 120.448 120.400 0.047 0.000 2.044 232 K HA -0.108 4.212 4.320 -0.000 0.000 0.210 232 K C 2.191 178.823 176.600 0.053 0.000 1.049 232 K CA 1.914 58.227 56.287 0.043 0.000 0.927 232 K CB -1.896 30.620 32.500 0.026 0.000 0.713 232 K HN 0.598 nan 8.250 nan 0.000 0.443 233 G N -0.879 107.955 108.800 0.056 0.000 2.421 233 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 233 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 233 G C 1.717 176.662 174.900 0.075 0.000 1.171 233 G CA 1.224 46.352 45.100 0.048 0.000 0.775 233 G HN 0.676 nan 8.290 nan 0.000 0.543 234 Y N 1.006 121.291 120.300 -0.024 0.000 2.145 234 Y HA -0.053 4.497 4.550 -0.000 0.000 0.286 234 Y C 2.627 178.516 175.900 -0.018 0.000 1.145 234 Y CA 1.470 59.556 58.100 -0.023 0.000 1.148 234 Y CB -0.141 38.309 38.460 -0.016 0.000 0.981 234 Y HN 0.101 nan 8.280 nan 0.000 0.507 235 L N -0.161 121.150 121.223 0.148 0.000 2.093 235 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 235 L C 2.122 178.980 176.870 -0.019 0.000 1.085 235 L CA 1.716 56.589 54.840 0.054 0.000 0.755 235 L CB -0.632 41.473 42.059 0.077 0.000 0.904 235 L HN 0.278 nan 8.230 nan 0.000 0.435 236 D N 0.204 120.597 120.400 -0.012 0.000 2.123 236 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 236 D C 2.173 178.431 176.300 -0.070 0.000 0.992 236 D CA 1.451 55.430 54.000 -0.034 0.000 0.833 236 D CB 0.169 40.957 40.800 -0.020 0.000 0.954 236 D HN 0.256 nan 8.370 nan 0.000 0.455 237 A N 0.204 122.963 122.820 -0.101 0.000 1.902 237 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 237 A C 2.235 179.733 177.584 -0.143 0.000 1.181 237 A CA 0.894 52.846 52.037 -0.141 0.000 0.623 237 A CB -0.674 18.214 19.000 -0.187 0.000 0.818 237 A HN 0.348 nan 8.150 nan 0.000 0.443 238 L N -0.347 120.769 121.223 -0.178 0.000 2.093 238 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 238 L C 2.829 179.687 176.870 -0.019 0.000 1.085 238 L CA 2.090 56.854 54.840 -0.127 0.000 0.755 238 L CB -1.355 40.606 42.059 -0.165 0.000 0.904 238 L HN 0.538 nan 8.230 nan 0.000 0.435 239 S N -0.146 115.544 115.700 -0.016 0.000 2.356 239 S HA -0.199 4.271 4.470 -0.000 0.000 0.223 239 S C 1.974 176.607 174.600 0.054 0.000 1.032 239 S CA 1.485 59.706 58.200 0.037 0.000 1.005 239 S CB 0.139 63.330 63.200 -0.015 0.000 0.867 239 S HN 0.398 nan 8.310 nan 0.000 0.449 240 K N 0.200 120.585 120.400 -0.024 0.000 2.137 240 K HA 0.161 4.481 4.320 -0.000 0.000 0.202 240 K C 2.298 178.880 176.600 -0.029 0.000 1.052 240 K CA 1.273 57.519 56.287 -0.068 0.000 0.961 240 K CB -0.083 32.326 32.500 -0.151 0.000 0.741 240 K HN 0.272 nan 8.250 nan 0.000 0.452 241 S N 0.104 115.792 115.700 -0.021 0.000 2.458 241 S HA 0.051 4.521 4.470 -0.000 0.000 0.223 241 S C 1.687 176.316 174.600 0.049 0.000 1.019 241 S CA 0.572 58.789 58.200 0.028 0.000 0.937 241 S CB 0.353 63.540 63.200 -0.022 0.000 0.788 241 S HN 0.116 nan 8.310 nan 0.000 0.511 242 S N 0.039 115.748 115.700 0.015 0.000 2.811 242 S HA 0.198 4.668 4.470 -0.000 0.000 0.237 242 S C 1.453 176.046 174.600 -0.011 0.000 1.038 242 S CA -0.207 57.979 58.200 -0.023 0.000 0.881 242 S CB -0.708 62.482 63.200 -0.017 0.000 0.815 242 S HN 0.443 nan 8.310 nan 0.000 0.582 243 Y N 3.979 124.270 120.300 -0.015 0.000 2.207 243 Y HA -0.228 4.322 4.550 -0.000 0.000 0.287 243 Y C 2.628 178.558 175.900 0.050 0.000 1.156 243 Y CA 1.499 59.606 58.100 0.012 0.000 1.182 243 Y CB -0.637 37.832 38.460 0.015 0.000 0.979 243 Y HN 0.392 nan 8.280 nan 0.000 0.521 244 S N 0.001 115.723 115.700 0.036 0.000 2.402 244 S HA -0.263 4.207 4.470 -0.000 0.000 0.233 244 S C 2.108 176.736 174.600 0.047 0.000 1.030 244 S CA 1.540 59.791 58.200 0.085 0.000 1.003 244 S CB -1.100 62.211 63.200 0.185 0.000 0.813 244 S HN 0.600 nan 8.310 nan 0.000 0.477 245 L N 0.767 121.931 121.223 -0.098 0.000 2.056 245 L HA 0.006 4.346 4.340 -0.000 0.000 0.207 245 L C 2.480 179.234 176.870 -0.193 0.000 1.078 245 L CA 1.679 56.381 54.840 -0.230 0.000 0.749 245 L CB -0.456 41.315 42.059 -0.481 0.000 0.901 245 L HN 0.378 nan 8.230 nan 0.000 0.433 246 I N -1.049 119.336 120.570 -0.309 0.000 2.179 246 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 246 I C 2.767 178.714 176.117 -0.284 0.000 1.088 246 I CA 1.304 62.416 61.300 -0.314 0.000 1.357 246 I CB -0.324 37.429 38.000 -0.412 0.000 1.051 246 I HN 0.212 nan 8.210 nan 0.000 0.409 247 S N 0.827 116.273 115.700 -0.423 0.000 2.368 247 S HA -0.140 4.329 4.470 -0.000 0.000 0.225 247 S C 2.090 176.812 174.600 0.204 0.000 1.030 247 S CA 1.266 59.432 58.200 -0.058 0.000 0.999 247 S CB -0.295 62.928 63.200 0.038 0.000 0.844 247 S HN 0.306 nan 8.310 nan 0.000 0.459 248 L N 0.571 121.896 121.223 0.170 0.000 2.042 248 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 248 L C 2.666 179.656 176.870 0.200 0.000 1.076 248 L CA 1.332 56.315 54.840 0.238 0.000 0.749 248 L CB -0.611 41.507 42.059 0.098 0.000 0.893 248 L HN 0.494 nan 8.230 nan 0.000 0.432 249 C N -0.625 118.706 119.300 0.052 0.000 2.462 249 C HA -0.187 4.273 4.460 -0.000 0.000 0.278 249 C C 2.845 177.818 174.990 -0.029 0.000 1.253 249 C CA 0.765 59.781 59.018 -0.004 0.000 1.713 249 C CB -0.700 27.004 27.740 -0.060 0.000 2.049 249 C HN 0.455 nan 8.230 nan 0.000 0.477 250 K N -0.468 119.890 120.400 -0.070 0.000 2.074 250 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 250 K C 1.701 178.147 176.600 -0.258 0.000 1.048 250 K CA 2.015 58.180 56.287 -0.203 0.000 0.926 250 K CB -0.294 32.031 32.500 -0.291 0.000 0.713 250 K HN 0.669 nan 8.250 nan 0.000 0.444 251 Y N -1.449 118.887 120.300 0.059 0.000 2.397 251 Y HA 0.013 4.563 4.550 -0.000 0.000 0.292 251 Y C 1.805 177.669 175.900 -0.059 0.000 1.115 251 Y CA 0.483 58.595 58.100 0.020 0.000 1.208 251 Y CB 0.089 38.588 38.460 0.065 0.000 1.046 251 Y HN -0.030 nan 8.280 nan 0.000 0.552 252 F N -0.950 119.018 119.950 0.031 0.000 2.512 252 F HA -0.101 4.426 4.527 -0.000 0.000 0.296 252 F C 2.222 177.945 175.800 -0.127 0.000 1.110 252 F CA 0.562 58.535 58.000 -0.046 0.000 1.446 252 F CB -0.193 38.790 39.000 -0.028 0.000 1.092 252 F HN -0.091 nan 8.300 nan 0.000 0.554 253 V N -2.024 117.856 119.914 -0.056 0.000 2.720 253 V HA -0.214 3.906 4.120 -0.000 0.000 0.256 253 V C 1.699 177.649 176.094 -0.240 0.000 1.082 253 V CA 1.826 63.966 62.300 -0.266 0.000 1.101 253 V CB -0.759 30.662 31.823 -0.671 0.000 0.693 253 V HN 0.312 nan 8.190 nan 0.000 0.479 254 N N 1.555 120.148 118.700 -0.178 0.000 2.457 254 N HA 0.112 4.852 4.740 -0.000 0.000 0.180 254 N C 1.524 176.894 175.510 -0.234 0.000 1.050 254 N CA 1.795 54.752 53.050 -0.154 0.000 0.906 254 N CB 0.096 38.508 38.487 -0.124 0.000 0.968 254 N HN 0.864 nan 8.380 nan 0.000 0.445 255 I N -3.179 117.234 120.570 -0.262 0.000 3.927 255 I HA 0.350 4.520 4.170 -0.000 0.000 0.332 255 I C -0.066 175.960 176.117 -0.151 0.000 1.485 255 I CA -0.157 60.932 61.300 -0.353 0.000 1.131 255 I CB 0.069 37.826 38.000 -0.406 0.000 1.092 255 I HN -0.232 nan 8.210 nan 0.000 0.410 256 M N 1.073 120.621 119.600 -0.087 0.000 2.598 256 M HA 0.525 5.005 4.480 -0.000 0.000 0.317 256 M C -0.421 175.872 176.300 -0.011 0.000 1.179 256 M CA -0.598 54.691 55.300 -0.019 0.000 0.936 256 M CB 2.370 34.974 32.600 0.007 0.000 1.713 256 M HN -0.029 nan 8.290 nan 0.000 0.460 257 K N 1.201 121.607 120.400 0.010 0.000 2.090 257 K HA 0.477 4.797 4.320 -0.000 0.000 0.250 257 K C -2.491 174.127 176.600 0.029 0.000 1.004 257 K CA -1.607 54.692 56.287 0.021 0.000 0.919 257 K CB 0.064 32.578 32.500 0.022 0.000 1.045 257 K HN 0.237 nan 8.250 nan 0.000 0.471 258 P HA -0.044 nan 4.420 nan 0.000 0.269 258 P C -0.763 176.551 177.300 0.023 0.000 1.217 258 P CA 0.284 63.409 63.100 0.042 0.000 0.783 258 P CB 0.414 32.134 31.700 0.034 0.000 0.898 259 Q N -2.308 117.503 119.800 0.018 0.000 2.416 259 Q HA -0.172 4.168 4.340 -0.000 0.000 0.235 259 Q C -0.065 175.931 176.000 -0.007 0.000 0.773 259 Q CA 0.648 56.452 55.803 0.001 0.000 1.286 259 Q CB -2.293 26.443 28.738 -0.003 0.000 1.556 259 Q HN 0.413 nan 8.270 nan 0.000 0.650 260 S N -0.113 115.588 115.700 0.001 0.000 2.580 260 S HA 0.365 4.835 4.470 -0.000 0.000 0.266 260 S C 0.094 174.680 174.600 -0.023 0.000 1.354 260 S CA -0.068 58.128 58.200 -0.007 0.000 1.008 260 S CB 1.584 64.785 63.200 0.002 0.000 0.898 260 S HN 0.314 nan 8.310 nan 0.000 0.555 261 S N 0.486 116.167 115.700 -0.032 0.000 2.548 261 S HA 0.717 5.187 4.470 -0.000 0.000 0.286 261 S C -1.230 173.340 174.600 -0.049 0.000 1.098 261 S CA -0.763 57.407 58.200 -0.050 0.000 0.930 261 S CB 0.394 63.549 63.200 -0.074 0.000 1.070 261 S HN 0.544 nan 8.310 nan 0.000 0.480 262 I N 5.005 125.541 120.570 -0.056 0.000 2.499 262 I HA 0.535 4.705 4.170 -0.000 0.000 0.288 262 I C -0.622 175.455 176.117 -0.066 0.000 1.048 262 I CA -0.856 60.408 61.300 -0.060 0.000 1.062 262 I CB 1.800 39.764 38.000 -0.060 0.000 1.238 262 I HN 0.658 nan 8.210 nan 0.000 0.426 263 I N 2.791 123.321 120.570 -0.066 0.000 2.785 263 I HA 0.854 5.024 4.170 -0.000 0.000 0.302 263 I C -0.202 175.886 176.117 -0.050 0.000 1.069 263 I CA -0.340 60.921 61.300 -0.065 0.000 1.045 263 I CB 2.309 40.270 38.000 -0.065 0.000 1.236 263 I HN 0.602 nan 8.210 nan 0.000 0.429 264 S N 4.603 120.269 115.700 -0.056 0.000 2.704 264 S HA 0.801 5.271 4.470 -0.000 0.000 0.296 264 S C -0.984 173.595 174.600 -0.035 0.000 1.138 264 S CA -0.926 57.263 58.200 -0.019 0.000 0.875 264 S CB 1.768 64.900 63.200 -0.113 0.000 1.151 264 S HN 0.707 nan 8.310 nan 0.000 0.500 265 L N 0.965 122.194 121.223 0.009 0.000 2.346 265 L HA 0.776 5.116 4.340 -0.000 0.000 0.276 265 L C 0.165 177.039 176.870 0.008 0.000 1.006 265 L CA -0.354 54.467 54.840 -0.031 0.000 0.817 265 L CB 2.126 44.165 42.059 -0.033 0.000 1.272 265 L HN 0.922 nan 8.230 nan 0.000 0.421 266 T N 0.365 114.909 114.554 -0.016 0.000 2.716 266 T HA 0.610 4.960 4.350 -0.000 0.000 0.286 266 T C -2.009 172.757 174.700 0.109 0.000 1.052 266 T CA -0.333 61.790 62.100 0.038 0.000 1.024 266 T CB 1.560 70.409 68.868 -0.031 0.000 1.349 266 T HN 0.394 nan 8.240 nan 0.000 0.525 267 Y N 0.109 120.388 120.300 -0.034 0.000 2.504 267 Y HA 0.445 4.994 4.550 -0.000 0.000 0.344 267 Y C 0.684 176.578 175.900 -0.010 0.000 1.023 267 Y CA -0.931 57.138 58.100 -0.051 0.000 1.020 267 Y CB 1.553 39.929 38.460 -0.139 0.000 1.282 267 Y HN 0.905 nan 8.280 nan 0.000 0.454 268 H N 3.594 122.204 119.070 -0.767 0.000 2.518 268 H HA -0.040 4.516 4.556 -0.000 0.000 0.292 268 H C 1.737 176.806 175.328 -0.433 0.000 1.068 268 H CA 1.788 57.571 56.048 -0.441 0.000 1.275 268 H CB 0.085 29.641 29.762 -0.342 0.000 1.375 268 H HN 0.732 nan 8.280 nan 0.000 0.563 269 A N -0.260 122.168 122.820 -0.654 0.000 2.131 269 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 269 A C 2.568 180.079 177.584 -0.121 0.000 1.158 269 A CA 1.547 53.398 52.037 -0.310 0.000 0.665 269 A CB -0.804 18.050 19.000 -0.243 0.000 0.795 269 A HN 0.647 nan 8.150 nan 0.000 0.460 270 S N -0.855 114.785 115.700 -0.099 0.000 2.382 270 S HA -0.192 4.278 4.470 -0.000 0.000 0.228 270 S C 1.756 176.304 174.600 -0.087 0.000 1.027 270 S CA 1.391 59.571 58.200 -0.033 0.000 0.991 270 S CB -0.241 62.957 63.200 -0.003 0.000 0.823 270 S HN 0.607 nan 8.310 nan 0.000 0.469 271 Q N 0.421 120.098 119.800 -0.205 0.000 2.394 271 Q HA 0.381 4.721 4.340 -0.000 0.000 0.218 271 Q C 0.031 175.850 176.000 -0.301 0.000 0.907 271 Q CA 0.733 56.398 55.803 -0.230 0.000 0.919 271 Q CB 0.187 28.805 28.738 -0.200 0.000 1.051 271 Q HN 0.428 nan 8.270 nan 0.000 0.538 272 K N 0.467 120.596 120.400 -0.452 0.000 2.443 272 K HA 0.445 4.765 4.320 -0.000 0.000 0.251 272 K C -0.673 175.829 176.600 -0.164 0.000 0.972 272 K CA -0.948 55.167 56.287 -0.287 0.000 0.833 272 K CB 2.559 34.877 32.500 -0.303 0.000 1.317 272 K HN -0.228 nan 8.250 nan 0.000 0.441 273 V N 1.841 121.719 119.914 -0.059 0.000 2.470 273 V HA 0.145 4.265 4.120 -0.000 0.000 0.276 273 V C -0.055 176.064 176.094 0.041 0.000 1.040 273 V CA -0.523 61.779 62.300 0.003 0.000 1.008 273 V CB 0.942 32.780 31.823 0.024 0.000 0.990 273 V HN 0.349 nan 8.190 nan 0.000 0.477 274 V N 7.896 127.866 119.914 0.093 0.000 2.325 274 V HA 0.318 4.438 4.120 -0.000 0.000 0.280 274 V C -2.287 173.936 176.094 0.214 0.000 1.016 274 V CA -1.737 60.675 62.300 0.187 0.000 0.818 274 V CB 1.508 33.497 31.823 0.277 0.000 1.019 274 V HN 0.768 nan 8.190 nan 0.000 0.434 275 P HA 0.373 nan 4.420 nan 0.000 0.268 275 P C 1.028 178.430 177.300 0.170 0.000 1.204 275 P CA 1.038 64.217 63.100 0.132 0.000 0.768 275 P CB 0.948 32.701 31.700 0.088 0.000 0.842 276 G N 1.994 110.830 108.800 0.061 0.000 2.259 276 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 276 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 276 G C -0.141 174.597 174.900 -0.271 0.000 1.001 276 G CA -0.502 44.545 45.100 -0.088 0.000 0.627 276 G HN 0.511 nan 8.290 nan 0.000 0.501 277 Y N 3.346 123.489 120.300 -0.262 0.000 2.724 277 Y HA 0.544 5.094 4.550 -0.000 0.000 0.332 277 Y C 1.125 176.963 175.900 -0.103 0.000 1.276 277 Y CA 0.029 57.992 58.100 -0.228 0.000 1.597 277 Y CB -0.130 38.319 38.460 -0.018 0.000 1.584 277 Y HN 0.376 nan 8.280 nan 0.000 0.478 278 G N 0.467 109.140 108.800 -0.211 0.000 2.583 278 G HA2 0.450 4.410 3.960 -0.000 0.000 0.280 278 G HA3 0.450 4.410 3.960 -0.000 0.000 0.280 278 G C 0.731 175.529 174.900 -0.169 0.000 1.376 278 G CA -0.451 44.571 45.100 -0.131 0.000 1.043 278 G HN 0.985 nan 8.290 nan 0.000 0.538 279 G N -2.319 106.433 108.800 -0.081 0.000 2.162 279 G HA2 0.217 4.177 3.960 -0.000 0.000 0.260 279 G HA3 0.217 4.177 3.960 -0.000 0.000 0.260 279 G C 1.487 176.363 174.900 -0.039 0.000 0.976 279 G CA 1.107 46.167 45.100 -0.066 0.000 0.655 279 G HN 2.555 nan 8.290 nan 0.000 0.533 280 G N -1.280 107.519 108.800 -0.003 0.000 2.143 280 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.248 280 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.248 280 G C 1.219 176.019 174.900 -0.165 0.000 0.991 280 G CA 1.173 46.244 45.100 -0.048 0.000 0.689 280 G HN 0.677 nan 8.290 nan 0.000 0.522 281 M N 1.408 120.882 119.600 -0.211 0.000 2.117 281 M HA -0.082 4.398 4.480 -0.000 0.000 0.262 281 M C 2.877 179.189 176.300 0.021 0.000 1.065 281 M CA 2.366 57.494 55.300 -0.286 0.000 1.114 281 M CB -1.377 30.729 32.600 -0.823 0.000 1.361 281 M HN 0.737 nan 8.290 nan 0.000 0.408 282 S N -0.256 115.548 115.700 0.174 0.000 2.368 282 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 282 S C 2.037 176.718 174.600 0.135 0.000 1.030 282 S CA 1.673 60.057 58.200 0.307 0.000 0.999 282 S CB -0.776 62.587 63.200 0.273 0.000 0.844 282 S HN 0.444 nan 8.310 nan 0.000 0.459 283 S N 3.032 118.768 115.700 0.060 0.000 2.356 283 S HA 0.023 4.493 4.470 -0.000 0.000 0.223 283 S C 2.380 176.950 174.600 -0.050 0.000 1.032 283 S CA 1.109 59.313 58.200 0.006 0.000 1.005 283 S CB -1.035 62.126 63.200 -0.067 0.000 0.867 283 S HN 0.792 nan 8.310 nan 0.000 0.449 284 A N 2.248 125.010 122.820 -0.096 0.000 1.877 284 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 284 A C 2.109 179.690 177.584 -0.005 0.000 1.186 284 A CA 1.367 53.357 52.037 -0.079 0.000 0.620 284 A CB -0.399 18.540 19.000 -0.101 0.000 0.822 284 A HN 0.233 nan 8.150 nan 0.000 0.443 285 K N -0.013 120.425 120.400 0.063 0.000 2.097 285 K HA -0.007 4.312 4.320 -0.000 0.000 0.206 285 K C 2.232 178.854 176.600 0.037 0.000 1.049 285 K CA 1.317 57.653 56.287 0.082 0.000 0.933 285 K CB -0.967 31.645 32.500 0.186 0.000 0.717 285 K HN 0.457 nan 8.250 nan 0.000 0.442 286 A N 1.447 124.289 122.820 0.037 0.000 1.908 286 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 286 A C 2.412 180.001 177.584 0.008 0.000 1.181 286 A CA 2.215 54.263 52.037 0.019 0.000 0.627 286 A CB -0.593 18.422 19.000 0.026 0.000 0.818 286 A HN 0.303 nan 8.150 nan 0.000 0.445 287 A N -0.576 122.245 122.820 0.003 0.000 1.873 287 A HA 0.010 4.330 4.320 -0.000 0.000 0.215 287 A C 2.130 179.705 177.584 -0.015 0.000 1.186 287 A CA 1.557 53.593 52.037 -0.001 0.000 0.616 287 A CB -0.696 18.301 19.000 -0.005 0.000 0.823 287 A HN 0.688 nan 8.150 nan 0.000 0.442 288 L N -0.016 121.189 121.223 -0.030 0.000 2.043 288 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 288 L C 2.204 179.041 176.870 -0.055 0.000 1.075 288 L CA 2.531 57.333 54.840 -0.062 0.000 0.752 288 L CB -0.367 41.649 42.059 -0.071 0.000 0.891 288 L HN 0.537 nan 8.230 nan 0.000 0.432 289 E N -1.779 118.401 120.200 -0.034 0.000 2.112 289 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 289 E C 2.239 178.826 176.600 -0.021 0.000 0.979 289 E CA 0.934 57.315 56.400 -0.032 0.000 0.814 289 E CB 0.023 29.709 29.700 -0.022 0.000 0.762 289 E HN 0.491 nan 8.360 nan 0.000 0.460 290 S N 0.736 116.429 115.700 -0.012 0.000 2.368 290 S HA -0.144 4.326 4.470 -0.000 0.000 0.224 290 S C 1.389 175.986 174.600 -0.005 0.000 1.029 290 S CA 1.253 59.449 58.200 -0.006 0.000 0.988 290 S CB -0.122 63.080 63.200 0.002 0.000 0.838 290 S HN 0.169 nan 8.310 nan 0.000 0.462 291 D N 0.763 121.158 120.400 -0.009 0.000 2.219 291 D HA -0.036 4.604 4.640 -0.000 0.000 0.205 291 D C 1.933 178.225 176.300 -0.013 0.000 0.970 291 D CA 1.103 55.101 54.000 -0.004 0.000 0.851 291 D CB -0.833 39.956 40.800 -0.019 0.000 0.943 291 D HN 0.375 nan 8.370 nan 0.000 0.488 292 T N 0.767 115.301 114.554 -0.033 0.000 2.788 292 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 292 T C 1.995 176.687 174.700 -0.013 0.000 1.044 292 T CA 0.947 63.025 62.100 -0.036 0.000 1.139 292 T CB 0.084 68.922 68.868 -0.051 0.000 0.867 292 T HN 0.185 nan 8.240 nan 0.000 0.454 293 R N 0.258 120.753 120.500 -0.008 0.000 2.057 293 R HA 0.001 4.341 4.340 -0.000 0.000 0.229 293 R C 2.572 178.877 176.300 0.007 0.000 1.136 293 R CA 1.003 57.101 56.100 -0.002 0.000 0.952 293 R CB -0.751 29.542 30.300 -0.012 0.000 0.848 293 R HN 0.228 nan 8.270 nan 0.000 0.430 294 V N 1.870 121.788 119.914 0.005 0.000 2.332 294 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 294 V C 2.316 178.447 176.094 0.061 0.000 1.055 294 V CA 1.752 64.058 62.300 0.010 0.000 1.038 294 V CB -0.500 31.352 31.823 0.049 0.000 0.651 294 V HN 0.288 nan 8.190 nan 0.000 0.450 295 L N -0.039 121.239 121.223 0.091 0.000 2.201 295 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 295 L C 2.668 179.585 176.870 0.078 0.000 1.105 295 L CA 1.155 56.066 54.840 0.118 0.000 0.775 295 L CB -0.718 41.373 42.059 0.053 0.000 0.913 295 L HN 0.352 nan 8.230 nan 0.000 0.440 296 A N -0.489 122.359 122.820 0.047 0.000 1.930 296 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 296 A C 2.161 179.773 177.584 0.046 0.000 1.175 296 A CA 1.393 53.451 52.037 0.035 0.000 0.627 296 A CB -0.742 18.271 19.000 0.023 0.000 0.815 296 A HN 0.454 nan 8.150 nan 0.000 0.443 297 Y N 0.588 120.831 120.300 -0.095 0.000 2.049 297 Y HA -0.290 4.260 4.550 -0.000 0.000 0.277 297 Y C 2.595 178.435 175.900 -0.099 0.000 1.143 297 Y CA 2.335 60.345 58.100 -0.150 0.000 1.115 297 Y CB -0.628 37.657 38.460 -0.291 0.000 0.975 297 Y HN 0.483 nan 8.280 nan 0.000 0.487 298 H N 0.072 119.087 119.070 -0.091 0.000 2.321 298 H HA -0.129 4.427 4.556 -0.000 0.000 0.300 298 H C 2.455 177.754 175.328 -0.049 0.000 1.087 298 H CA 2.021 57.972 56.048 -0.161 0.000 1.319 298 H CB -0.686 29.102 29.762 0.045 0.000 1.379 298 H HN 0.392 nan 8.280 nan 0.000 0.501 299 L N -0.184 121.138 121.223 0.164 0.000 2.141 299 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 299 L C 2.763 179.712 176.870 0.133 0.000 1.094 299 L CA 0.953 55.917 54.840 0.207 0.000 0.763 299 L CB -0.609 41.503 42.059 0.089 0.000 0.908 299 L HN 0.278 nan 8.230 nan 0.000 0.437 300 G N -0.323 108.489 108.800 0.020 0.000 2.394 300 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.214 300 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.214 300 G C 1.764 176.626 174.900 -0.063 0.000 1.176 300 G CA 0.060 45.150 45.100 -0.016 0.000 0.786 300 G HN 0.114 nan 8.290 nan 0.000 0.533 301 R N 0.803 121.207 120.500 -0.160 0.000 2.066 301 R HA -0.000 4.340 4.340 -0.000 0.000 0.232 301 R C 2.161 178.349 176.300 -0.186 0.000 1.131 301 R CA 1.181 57.161 56.100 -0.198 0.000 0.955 301 R CB -0.749 29.342 30.300 -0.350 0.000 0.851 301 R HN 0.309 nan 8.270 nan 0.000 0.432 302 N N -0.347 118.223 118.700 -0.217 0.000 2.416 302 N HA -0.065 4.675 4.740 -0.000 0.000 0.177 302 N C 0.869 175.994 175.510 -0.640 0.000 1.036 302 N CA 1.013 53.798 53.050 -0.443 0.000 0.901 302 N CB 0.044 38.179 38.487 -0.586 0.000 0.976 302 N HN 0.349 nan 8.380 nan 0.000 0.444 303 Y N -0.864 119.404 120.300 -0.053 0.000 2.540 303 Y HA 0.278 4.828 4.550 -0.000 0.000 0.257 303 Y C 0.245 176.124 175.900 -0.036 0.000 1.090 303 Y CA -0.632 57.444 58.100 -0.040 0.000 1.242 303 Y CB 0.067 38.507 38.460 -0.033 0.000 1.325 303 Y HN -0.052 nan 8.280 nan 0.000 0.544 304 N N 1.264 120.012 118.700 0.081 0.000 2.754 304 N HA -0.206 4.534 4.740 -0.000 0.000 0.248 304 N C -0.924 174.615 175.510 0.049 0.000 1.093 304 N CA 0.066 53.139 53.050 0.040 0.000 0.699 304 N CB -0.842 37.656 38.487 0.018 0.000 1.016 304 N HN 0.282 nan 8.380 nan 0.000 0.552 305 I N 1.308 121.920 120.570 0.069 0.000 2.404 305 I HA 0.348 4.518 4.170 -0.000 0.000 0.293 305 I C 0.487 176.610 176.117 0.010 0.000 0.992 305 I CA -0.683 60.638 61.300 0.034 0.000 1.149 305 I CB 1.549 39.565 38.000 0.026 0.000 1.315 305 I HN 0.050 nan 8.210 nan 0.000 0.446 306 R N 5.962 126.454 120.500 -0.014 0.000 2.457 306 R HA 0.717 5.057 4.340 -0.000 0.000 0.284 306 R C -0.821 175.458 176.300 -0.036 0.000 1.024 306 R CA -0.704 55.380 56.100 -0.028 0.000 1.025 306 R CB 2.009 32.280 30.300 -0.048 0.000 1.063 306 R HN 0.532 nan 8.270 nan 0.000 0.493 307 I N 1.381 121.930 120.570 -0.035 0.000 2.607 307 I HA 0.361 4.531 4.170 -0.000 0.000 0.290 307 I C -1.508 174.581 176.117 -0.045 0.000 1.129 307 I CA -0.583 60.690 61.300 -0.044 0.000 1.042 307 I CB 1.844 39.821 38.000 -0.039 0.000 1.242 307 I HN 0.653 nan 8.210 nan 0.000 0.421 308 N N 3.353 122.019 118.700 -0.057 0.000 2.647 308 N HA 0.440 5.180 4.740 -0.000 0.000 0.266 308 N C -1.553 173.916 175.510 -0.067 0.000 1.373 308 N CA -0.520 52.497 53.050 -0.055 0.000 0.807 308 N CB 2.469 40.924 38.487 -0.053 0.000 1.513 308 N HN 0.485 nan 8.380 nan 0.000 0.505 309 T N 0.276 114.787 114.554 -0.072 0.000 2.893 309 T HA 0.645 4.995 4.350 -0.000 0.000 0.293 309 T C -0.898 173.733 174.700 -0.115 0.000 1.027 309 T CA -0.510 61.535 62.100 -0.091 0.000 0.988 309 T CB 0.646 69.457 68.868 -0.096 0.000 1.043 309 T HN 0.285 nan 8.240 nan 0.000 0.461 310 I N 3.298 123.791 120.570 -0.128 0.000 2.336 310 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 310 I C 0.418 176.404 176.117 -0.218 0.000 0.991 310 I CA -0.557 60.644 61.300 -0.164 0.000 1.227 310 I CB 1.829 39.738 38.000 -0.152 0.000 1.366 310 I HN 0.481 nan 8.210 nan 0.000 0.466 311 S N 5.881 121.379 115.700 -0.337 0.000 2.473 311 S HA 0.586 5.056 4.470 -0.000 0.000 0.312 311 S C 0.049 174.525 174.600 -0.207 0.000 1.087 311 S CA -0.615 57.356 58.200 -0.383 0.000 1.077 311 S CB 0.067 62.687 63.200 -0.966 0.000 1.065 311 S HN 0.648 nan 8.310 nan 0.000 0.510 312 A N 4.002 126.760 122.820 -0.103 0.000 2.302 312 A HA 0.758 5.078 4.320 -0.000 0.000 0.285 312 A C 0.907 178.586 177.584 0.159 0.000 1.105 312 A CA -0.266 51.717 52.037 -0.090 0.000 0.816 312 A CB 0.291 19.029 19.000 -0.437 0.000 1.067 312 A HN 0.848 nan 8.150 nan 0.000 0.489 313 G N 0.408 109.318 108.800 0.184 0.000 2.611 313 G HA2 0.507 4.467 3.960 -0.000 0.000 0.273 313 G HA3 0.507 4.467 3.960 -0.000 0.000 0.273 313 G C -2.464 172.608 174.900 0.287 0.000 1.305 313 G CA -1.103 44.150 45.100 0.256 0.000 1.010 313 G HN 0.606 nan 8.290 nan 0.000 0.509 314 P HA 0.265 nan 4.420 nan 0.000 0.276 314 P C -0.947 176.408 177.300 0.091 0.000 1.243 314 P CA -0.147 63.022 63.100 0.116 0.000 0.768 314 P CB 1.459 33.186 31.700 0.045 0.000 0.856 315 L N 2.931 124.169 121.223 0.025 0.000 2.386 315 L HA 0.453 4.793 4.340 -0.000 0.000 0.271 315 L C 0.293 177.096 176.870 -0.113 0.000 0.993 315 L CA -0.845 53.923 54.840 -0.120 0.000 0.819 315 L CB 2.015 43.786 42.059 -0.480 0.000 1.294 315 L HN 0.156 nan 8.230 nan 0.000 0.414 316 K N 3.128 123.474 120.400 -0.090 0.000 2.243 316 K HA 0.241 4.561 4.320 -0.000 0.000 0.232 316 K C -0.173 176.380 176.600 -0.079 0.000 1.237 316 K CA 0.001 56.254 56.287 -0.058 0.000 1.161 316 K CB -0.226 32.252 32.500 -0.036 0.000 1.505 316 K HN 0.780 nan 8.250 nan 0.000 0.271 317 S N 1.079 116.726 115.700 -0.090 0.000 2.713 317 S HA 0.250 4.720 4.470 -0.000 0.000 0.277 317 S C 1.178 175.756 174.600 -0.038 0.000 1.168 317 S CA -0.820 57.325 58.200 -0.092 0.000 0.994 317 S CB 1.561 64.691 63.200 -0.118 0.000 1.054 317 S HN 0.610 nan 8.310 nan 0.000 0.555 318 R N 0.086 120.568 120.500 -0.030 0.000 2.080 318 R HA -0.126 4.214 4.340 -0.000 0.000 0.236 318 R C 2.579 178.886 176.300 0.012 0.000 1.137 318 R CA 1.671 57.771 56.100 -0.000 0.000 0.943 318 R CB -1.173 29.134 30.300 0.012 0.000 0.846 318 R HN 0.852 nan 8.270 nan 0.000 0.431 319 A N 0.595 123.418 122.820 0.005 0.000 1.940 319 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 319 A C 2.298 179.895 177.584 0.022 0.000 1.176 319 A CA 1.770 53.812 52.037 0.007 0.000 0.631 319 A CB -0.668 18.325 19.000 -0.012 0.000 0.814 319 A HN 0.516 nan 8.150 nan 0.000 0.446 320 A N -0.794 122.047 122.820 0.034 0.000 1.940 320 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 320 A C 2.270 179.919 177.584 0.108 0.000 1.176 320 A CA 2.338 54.425 52.037 0.084 0.000 0.631 320 A CB -1.222 17.819 19.000 0.068 0.000 0.814 320 A HN 0.467 nan 8.150 nan 0.000 0.446 321 T N 0.208 114.802 114.554 0.067 0.000 2.904 321 T HA 0.095 4.445 4.350 -0.000 0.000 0.267 321 T C 2.093 176.830 174.700 0.060 0.000 1.059 321 T CA 1.103 63.244 62.100 0.068 0.000 1.137 321 T CB -0.360 68.534 68.868 0.044 0.000 0.879 321 T HN 0.589 nan 8.240 nan 0.000 0.467 322 A N 1.313 124.159 122.820 0.042 0.000 2.131 322 A HA 0.034 4.354 4.320 -0.000 0.000 0.220 322 A C 2.102 179.693 177.584 0.012 0.000 1.158 322 A CA 0.846 52.899 52.037 0.027 0.000 0.665 322 A CB -0.910 18.102 19.000 0.019 0.000 0.795 322 A HN 0.575 nan 8.150 nan 0.000 0.460 323 I N -1.014 119.568 120.570 0.020 0.000 3.001 323 I HA -0.074 4.096 4.170 -0.000 0.000 0.268 323 I C 0.143 176.278 176.117 0.030 0.000 1.267 323 I CA 0.288 61.573 61.300 -0.024 0.000 1.472 323 I CB -0.373 37.573 38.000 -0.089 0.000 1.089 323 I HN 0.381 nan 8.210 nan 0.000 0.468 368 F N 1.582 121.581 119.950 0.082 0.000 2.065 368 F HA 0.030 4.557 4.527 -0.000 0.000 0.298 368 F C 1.929 177.827 175.800 0.164 0.000 1.112 368 F CA 1.801 59.872 58.000 0.117 0.000 1.212 368 F CB -0.190 38.865 39.000 0.091 0.000 0.975 368 F HN 0.577 nan 8.300 nan 0.000 0.476 369 I N 0.611 121.181 120.570 -0.001 0.000 2.353 369 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 369 I C 1.818 177.882 176.117 -0.087 0.000 1.119 369 I CA 1.609 62.845 61.300 -0.107 0.000 1.417 369 I CB -0.975 37.072 38.000 0.080 0.000 1.078 369 I HN 0.247 nan 8.210 nan 0.000 0.421 370 D N -0.169 120.230 120.400 -0.002 0.000 2.117 370 D HA -0.276 4.364 4.640 -0.000 0.000 0.197 370 D C 1.988 178.298 176.300 0.016 0.000 0.987 370 D CA 1.323 55.331 54.000 0.014 0.000 0.829 370 D CB -0.554 40.273 40.800 0.046 0.000 0.961 370 D HN 0.356 nan 8.370 nan 0.000 0.460 371 Y N 2.153 122.403 120.300 -0.084 0.000 2.053 371 Y HA -0.274 4.276 4.550 -0.000 0.000 0.277 371 Y C 2.480 178.332 175.900 -0.079 0.000 1.159 371 Y CA 1.993 60.051 58.100 -0.069 0.000 1.125 371 Y CB -0.580 37.827 38.460 -0.088 0.000 0.969 371 Y HN -0.040 nan 8.280 nan 0.000 0.492 372 A N 0.364 123.034 122.820 -0.250 0.000 1.892 372 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 372 A C 2.331 179.846 177.584 -0.115 0.000 1.188 372 A CA 2.279 54.158 52.037 -0.263 0.000 0.631 372 A CB -1.291 17.475 19.000 -0.389 0.000 0.822 372 A HN 0.605 nan 8.150 nan 0.000 0.447 373 I N -0.920 119.593 120.570 -0.094 0.000 2.179 373 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 373 I C 2.604 178.690 176.117 -0.051 0.000 1.088 373 I CA 1.925 63.200 61.300 -0.043 0.000 1.357 373 I CB -0.361 37.618 38.000 -0.034 0.000 1.051 373 I HN 0.511 nan 8.210 nan 0.000 0.409 374 E N 0.232 120.385 120.200 -0.079 0.000 2.051 374 E HA -0.282 4.068 4.350 -0.000 0.000 0.192 374 E C 2.266 178.794 176.600 -0.120 0.000 0.991 374 E CA 1.283 57.627 56.400 -0.094 0.000 0.799 374 E CB -0.184 29.471 29.700 -0.076 0.000 0.748 374 E HN 0.448 nan 8.360 nan 0.000 0.449 375 Y N 0.639 120.772 120.300 -0.278 0.000 2.165 375 Y HA -0.264 4.286 4.550 -0.000 0.000 0.286 375 Y C 2.663 178.544 175.900 -0.032 0.000 1.155 375 Y CA 1.995 59.994 58.100 -0.168 0.000 1.164 375 Y CB -0.416 37.834 38.460 -0.349 0.000 0.978 375 Y HN 0.051 nan 8.280 nan 0.000 0.513 376 S N -0.258 115.511 115.700 0.114 0.000 2.368 376 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 376 S C 1.807 176.393 174.600 -0.024 0.000 1.029 376 S CA 1.626 59.883 58.200 0.095 0.000 0.988 376 S CB -0.366 62.894 63.200 0.099 0.000 0.838 376 S HN 0.655 nan 8.310 nan 0.000 0.462 377 E N 0.342 120.501 120.200 -0.069 0.000 2.268 377 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 377 E C 2.032 178.516 176.600 -0.193 0.000 0.995 377 E CA 0.653 56.992 56.400 -0.102 0.000 0.836 377 E CB -0.005 29.645 29.700 -0.083 0.000 0.763 377 E HN 0.465 nan 8.360 nan 0.000 0.491 378 K N -0.334 119.866 120.400 -0.333 0.000 2.242 378 K HA -0.016 4.304 4.320 -0.000 0.000 0.200 378 K C 0.869 177.049 176.600 -0.700 0.000 1.050 378 K CA 0.652 56.587 56.287 -0.587 0.000 0.981 378 K CB 0.355 32.335 32.500 -0.867 0.000 0.795 378 K HN 0.146 nan 8.250 nan 0.000 0.477 379 Y N -0.315 119.807 120.300 -0.298 0.000 2.426 379 Y HA 0.354 4.904 4.550 -0.000 0.000 0.249 379 Y C 0.484 176.302 175.900 -0.136 0.000 1.103 379 Y CA -0.645 57.287 58.100 -0.280 0.000 1.256 379 Y CB 0.906 39.048 38.460 -0.529 0.000 1.208 379 Y HN -0.044 nan 8.280 nan 0.000 0.519 380 A N 1.328 124.161 122.820 0.022 0.000 2.445 380 A HA 0.169 4.489 4.320 -0.000 0.000 0.242 380 A C -1.567 176.021 177.584 0.006 0.000 1.075 380 A CA -1.064 50.990 52.037 0.030 0.000 0.777 380 A CB 0.023 19.036 19.000 0.022 0.000 1.013 380 A HN 0.091 nan 8.150 nan 0.000 0.493 381 P HA -0.114 nan 4.420 nan 0.000 0.216 381 P C -0.080 177.214 177.300 -0.011 0.000 1.157 381 P CA 1.147 64.246 63.100 -0.002 0.000 0.880 381 P CB -0.013 31.684 31.700 -0.004 0.000 0.791 382 L N -0.013 121.205 121.223 -0.008 0.000 2.255 382 L HA 0.263 4.603 4.340 -0.000 0.000 0.289 382 L C 0.747 177.606 176.870 -0.018 0.000 1.046 382 L CA -0.414 54.419 54.840 -0.012 0.000 0.816 382 L CB 0.769 42.825 42.059 -0.005 0.000 1.197 382 L HN -0.190 nan 8.230 nan 0.000 0.427 383 R N 4.741 125.222 120.500 -0.031 0.000 3.235 383 R HA 0.157 4.497 4.340 -0.000 0.000 0.232 383 R C -0.503 175.775 176.300 -0.036 0.000 1.475 383 R CA -0.139 55.933 56.100 -0.047 0.000 1.405 383 R CB 0.259 30.519 30.300 -0.068 0.000 1.266 383 R HN 0.638 nan 8.270 nan 0.000 0.650 384 Q N -0.012 119.774 119.800 -0.023 0.000 2.501 384 Q HA 0.345 4.685 4.340 -0.000 0.000 0.288 384 Q C -1.229 174.768 176.000 -0.006 0.000 1.051 384 Q CA -1.209 54.586 55.803 -0.014 0.000 0.788 384 Q CB 1.902 30.637 28.738 -0.005 0.000 1.469 384 Q HN -0.012 nan 8.270 nan 0.000 0.416 385 K N 1.407 121.806 120.400 -0.002 0.000 2.349 385 K HA 0.185 4.505 4.320 -0.000 0.000 0.288 385 K C -0.697 175.917 176.600 0.024 0.000 1.058 385 K CA -0.524 55.766 56.287 0.005 0.000 0.953 385 K CB 0.499 32.999 32.500 0.001 0.000 0.997 385 K HN 0.609 nan 8.250 nan 0.000 0.477 386 L N 6.753 127.999 121.223 0.038 0.000 2.500 386 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 386 L C -0.960 175.955 176.870 0.076 0.000 1.149 386 L CA 0.506 55.389 54.840 0.071 0.000 0.897 386 L CB 0.110 42.231 42.059 0.103 0.000 1.178 386 L HN 0.555 nan 8.230 nan 0.000 0.473 387 L N 4.142 125.416 121.223 0.086 0.000 2.360 387 L HA 0.390 4.730 4.340 -0.000 0.000 0.271 387 L C 1.557 178.518 176.870 0.152 0.000 1.057 387 L CA -0.201 54.689 54.840 0.084 0.000 0.803 387 L CB 1.575 43.674 42.059 0.068 0.000 1.207 387 L HN 0.801 nan 8.230 nan 0.000 0.445 388 S N -0.660 115.106 115.700 0.109 0.000 2.383 388 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 388 S C 1.668 176.407 174.600 0.233 0.000 1.030 388 S CA 1.665 59.983 58.200 0.196 0.000 1.002 388 S CB -0.769 62.462 63.200 0.051 0.000 0.829 388 S HN 0.891 nan 8.310 nan 0.000 0.467 389 T N -1.098 113.542 114.554 0.144 0.000 3.072 389 T HA -0.001 4.349 4.350 -0.000 0.000 0.266 389 T C 1.197 175.950 174.700 0.089 0.000 1.127 389 T CA 1.044 63.207 62.100 0.104 0.000 1.107 389 T CB -0.466 68.450 68.868 0.079 0.000 0.910 389 T HN 0.282 nan 8.240 nan 0.000 0.513 390 D N 1.103 121.565 120.400 0.104 0.000 2.149 390 D HA 0.060 4.700 4.640 -0.000 0.000 0.201 390 D C 1.790 178.127 176.300 0.062 0.000 0.972 390 D CA 0.562 54.607 54.000 0.075 0.000 0.835 390 D CB -0.143 40.706 40.800 0.081 0.000 0.966 390 D HN 0.361 nan 8.370 nan 0.000 0.476 391 I N 0.905 121.526 120.570 0.085 0.000 2.406 391 I HA -0.040 4.130 4.170 -0.000 0.000 0.249 391 I C 2.501 178.625 176.117 0.012 0.000 1.122 391 I CA 0.809 62.102 61.300 -0.011 0.000 1.431 391 I CB -0.736 37.142 38.000 -0.203 0.000 1.087 391 I HN -0.035 nan 8.210 nan 0.000 0.424 392 G N -0.040 108.797 108.800 0.061 0.000 2.469 392 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 392 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 392 G C 1.798 176.718 174.900 0.033 0.000 1.150 392 G CA 1.383 46.507 45.100 0.041 0.000 0.763 392 G HN 0.511 nan 8.290 nan 0.000 0.561 393 S N 0.036 115.760 115.700 0.041 0.000 2.406 393 S HA -0.021 4.449 4.470 -0.000 0.000 0.228 393 S C 2.278 176.923 174.600 0.076 0.000 1.020 393 S CA 1.194 59.422 58.200 0.047 0.000 0.965 393 S CB -0.288 62.931 63.200 0.032 0.000 0.798 393 S HN 0.123 nan 8.310 nan 0.000 0.488 394 V N 2.712 122.666 119.914 0.066 0.000 2.343 394 V HA -0.094 4.026 4.120 -0.000 0.000 0.247 394 V C 3.157 179.329 176.094 0.130 0.000 1.051 394 V CA 1.614 63.983 62.300 0.115 0.000 1.036 394 V CB -1.569 30.291 31.823 0.062 0.000 0.654 394 V HN 0.654 nan 8.190 nan 0.000 0.451 395 A N -0.551 122.297 122.820 0.048 0.000 1.933 395 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 395 A C 2.559 180.152 177.584 0.016 0.000 1.175 395 A CA 2.231 54.274 52.037 0.009 0.000 0.628 395 A CB -0.716 18.271 19.000 -0.022 0.000 0.814 395 A HN 0.481 nan 8.150 nan 0.000 0.444 396 S N -1.518 114.209 115.700 0.046 0.000 2.368 396 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 396 S C 1.756 176.399 174.600 0.073 0.000 1.029 396 S CA 1.471 59.697 58.200 0.043 0.000 0.988 396 S CB -0.518 62.711 63.200 0.049 0.000 0.838 396 S HN 0.641 nan 8.310 nan 0.000 0.462 397 F N 2.175 122.115 119.950 -0.017 0.000 2.102 397 F HA 0.040 4.567 4.527 -0.000 0.000 0.298 397 F C 1.722 177.514 175.800 -0.015 0.000 1.105 397 F CA 1.486 59.478 58.000 -0.013 0.000 1.239 397 F CB -0.549 38.444 39.000 -0.011 0.000 0.991 397 F HN 0.187 nan 8.300 nan 0.000 0.474 398 L N -0.083 120.956 121.223 -0.306 0.000 2.201 398 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 398 L C 2.295 179.013 176.870 -0.255 0.000 1.105 398 L CA 0.816 55.426 54.840 -0.383 0.000 0.775 398 L CB -0.551 41.419 42.059 -0.149 0.000 0.913 398 L HN 0.262 nan 8.230 nan 0.000 0.440 399 L N -1.059 120.071 121.223 -0.155 0.000 2.341 399 L HA -0.002 4.338 4.340 -0.000 0.000 0.214 399 L C 1.664 178.472 176.870 -0.104 0.000 1.115 399 L CA -0.043 54.733 54.840 -0.107 0.000 0.820 399 L CB -0.258 41.763 42.059 -0.063 0.000 0.944 399 L HN 0.288 nan 8.230 nan 0.000 0.452 400 S N -0.363 115.264 115.700 -0.121 0.000 2.655 400 S HA 0.301 4.771 4.470 -0.000 0.000 0.265 400 S C 1.367 175.895 174.600 -0.120 0.000 1.240 400 S CA -0.087 58.061 58.200 -0.087 0.000 0.986 400 S CB 1.240 64.419 63.200 -0.035 0.000 0.985 400 S HN 0.202 nan 8.310 nan 0.000 0.562 401 R N 0.052 120.511 120.500 -0.067 0.000 2.316 401 R HA 0.118 4.458 4.340 -0.000 0.000 0.202 401 R C 1.613 177.875 176.300 -0.063 0.000 1.029 401 R CA 1.552 57.617 56.100 -0.059 0.000 1.018 401 R CB -1.635 28.650 30.300 -0.024 0.000 0.888 401 R HN 0.921 nan 8.270 nan 0.000 0.471 402 E N 0.576 120.735 120.200 -0.068 0.000 2.347 402 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 402 E C 1.162 177.714 176.600 -0.081 0.000 1.008 402 E CA 1.361 57.765 56.400 0.008 0.000 0.852 402 E CB 0.255 30.065 29.700 0.184 0.000 0.783 402 E HN 0.694 nan 8.360 nan 0.000 0.505 403 S N -0.213 115.277 115.700 -0.349 0.000 2.651 403 S HA 0.259 4.729 4.470 -0.000 0.000 0.246 403 S C 1.136 175.617 174.600 -0.198 0.000 1.039 403 S CA -0.634 57.317 58.200 -0.414 0.000 1.013 403 S CB 0.482 63.144 63.200 -0.896 0.000 0.861 403 S HN 0.052 nan 8.310 nan 0.000 0.485 404 R N 1.244 121.674 120.500 -0.117 0.000 2.208 404 R HA -0.222 4.118 4.340 -0.000 0.000 0.262 404 R C 1.709 177.982 176.300 -0.045 0.000 1.166 404 R CA 2.016 58.077 56.100 -0.065 0.000 0.987 404 R CB -0.496 29.784 30.300 -0.033 0.000 0.887 404 R HN 0.622 nan 8.270 nan 0.000 0.459 405 A N -0.419 122.382 122.820 -0.031 0.000 2.423 405 A HA 0.275 4.595 4.320 -0.000 0.000 0.246 405 A C 0.320 177.898 177.584 -0.010 0.000 1.278 405 A CA -0.293 51.737 52.037 -0.011 0.000 0.903 405 A CB 0.354 19.358 19.000 0.006 0.000 0.997 405 A HN 0.146 nan 8.150 nan 0.000 0.510 406 I N 0.010 120.561 120.570 -0.031 0.000 2.354 406 I HA 0.476 4.646 4.170 -0.000 0.000 0.292 406 I C -0.103 175.993 176.117 -0.035 0.000 0.989 406 I CA -0.248 61.038 61.300 -0.023 0.000 1.188 406 I CB 1.999 39.983 38.000 -0.026 0.000 1.342 406 I HN 0.030 nan 8.210 nan 0.000 0.457 407 T N 3.233 117.776 114.554 -0.017 0.000 2.957 407 T HA 0.507 4.857 4.350 -0.000 0.000 0.336 407 T C 0.363 175.059 174.700 -0.007 0.000 1.462 407 T CA 0.332 62.421 62.100 -0.018 0.000 1.073 407 T CB 1.454 70.314 68.868 -0.014 0.000 1.319 407 T HN 0.997 nan 8.240 nan 0.000 0.485 408 G N 2.555 111.349 108.800 -0.010 0.000 2.168 408 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.263 408 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.263 408 G C 0.004 174.899 174.900 -0.007 0.000 0.977 408 G CA 0.417 45.514 45.100 -0.006 0.000 0.659 408 G HN 0.745 nan 8.290 nan 0.000 0.533 409 Q N 0.309 120.105 119.800 -0.007 0.000 2.227 409 Q HA 0.556 4.896 4.340 -0.000 0.000 0.245 409 Q C -0.012 175.978 176.000 -0.016 0.000 0.926 409 Q CA -0.012 55.792 55.803 0.002 0.000 0.895 409 Q CB 1.198 29.946 28.738 0.016 0.000 1.230 409 Q HN 0.178 nan 8.270 nan 0.000 0.450 410 T N 2.798 117.347 114.554 -0.008 0.000 2.753 410 T HA 0.411 4.761 4.350 -0.000 0.000 0.297 410 T C 0.129 174.807 174.700 -0.038 0.000 0.981 410 T CA -0.426 61.637 62.100 -0.062 0.000 0.956 410 T CB 0.160 68.989 68.868 -0.065 0.000 0.936 410 T HN 0.231 nan 8.240 nan 0.000 0.463 411 I N 3.977 124.503 120.570 -0.073 0.000 2.321 411 I HA 0.289 4.459 4.170 -0.000 0.000 0.291 411 I C -0.266 175.804 176.117 -0.078 0.000 0.998 411 I CA -0.960 60.340 61.300 0.001 0.000 1.227 411 I CB 0.701 38.719 38.000 0.029 0.000 1.368 411 I HN 0.597 nan 8.210 nan 0.000 0.466 412 Y N 5.012 125.299 120.300 -0.022 0.000 2.365 412 Y HA 0.321 4.871 4.550 -0.000 0.000 0.340 412 Y C 0.421 176.300 175.900 -0.036 0.000 1.016 412 Y CA -0.272 57.803 58.100 -0.041 0.000 1.196 412 Y CB 1.368 39.788 38.460 -0.068 0.000 1.167 412 Y HN 0.230 nan 8.280 nan 0.000 0.509 413 V N 4.283 124.237 119.914 0.066 0.000 2.320 413 V HA 0.217 4.337 4.120 -0.000 0.000 0.268 413 V C -0.669 175.459 176.094 0.056 0.000 1.021 413 V CA -0.586 61.736 62.300 0.038 0.000 0.813 413 V CB 0.688 32.499 31.823 -0.020 0.000 1.054 413 V HN 0.902 nan 8.190 nan 0.000 0.444 414 D N 1.648 122.099 120.400 0.084 0.000 2.704 414 D HA 0.055 4.695 4.640 -0.000 0.000 0.291 414 D C 0.438 176.780 176.300 0.069 0.000 1.610 414 D CA -0.410 53.648 54.000 0.098 0.000 0.807 414 D CB -0.314 40.566 40.800 0.134 0.000 1.233 414 D HN 0.252 nan 8.370 nan 0.000 0.445 415 N N 0.796 119.525 118.700 0.049 0.000 2.753 415 N HA -0.166 4.574 4.740 -0.000 0.000 0.251 415 N C 1.254 176.772 175.510 0.014 0.000 1.097 415 N CA 1.726 54.793 53.050 0.029 0.000 0.786 415 N CB -1.530 36.975 38.487 0.030 0.000 1.137 415 N HN 0.848 nan 8.380 nan 0.000 0.566 416 G N -0.846 107.958 108.800 0.006 0.000 2.159 416 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.256 416 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.256 416 G C 0.862 175.737 174.900 -0.043 0.000 0.977 416 G CA 0.597 45.679 45.100 -0.029 0.000 0.652 416 G HN 0.450 nan 8.290 nan 0.000 0.531 417 L N 2.031 123.246 121.223 -0.013 0.000 2.081 417 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 417 L C 2.558 179.386 176.870 -0.069 0.000 1.080 417 L CA 3.203 58.050 54.840 0.012 0.000 0.754 417 L CB -0.806 41.299 42.059 0.077 0.000 0.893 417 L HN 0.698 nan 8.230 nan 0.000 0.433 418 N N 0.362 118.927 118.700 -0.226 0.000 2.258 418 N HA -0.259 4.481 4.740 -0.000 0.000 0.187 418 N C 1.791 177.121 175.510 -0.299 0.000 1.012 418 N CA 1.990 54.745 53.050 -0.492 0.000 0.870 418 N CB -0.989 36.893 38.487 -1.008 0.000 0.977 418 N HN 0.698 nan 8.380 nan 0.000 0.434 419 I N -3.627 116.824 120.570 -0.197 0.000 3.291 419 I HA 0.124 4.294 4.170 -0.000 0.000 0.279 419 I C 0.147 176.245 176.117 -0.031 0.000 1.294 419 I CA -0.005 61.222 61.300 -0.121 0.000 1.428 419 I CB -0.172 37.769 38.000 -0.099 0.000 1.070 419 I HN 0.016 nan 8.210 nan 0.000 0.478 420 M N 0.449 120.056 119.600 0.011 0.000 2.274 420 M HA 0.223 4.703 4.480 -0.000 0.000 0.344 420 M C 0.308 176.716 176.300 0.181 0.000 1.161 420 M CA -0.066 55.284 55.300 0.083 0.000 1.126 420 M CB 1.534 34.184 32.600 0.084 0.000 1.522 420 M HN 0.190 nan 8.290 nan 0.000 0.461 421 F N 1.610 121.556 119.950 -0.007 0.000 2.484 421 F HA 0.341 4.868 4.527 -0.000 0.000 0.268 421 F C 0.004 175.798 175.800 -0.009 0.000 0.965 421 F CA -0.137 57.861 58.000 -0.004 0.000 1.119 421 F CB 0.696 39.691 39.000 -0.009 0.000 1.153 421 F HN 0.307 nan 8.300 nan 0.000 0.689 422 L N 2.529 123.681 121.223 -0.119 0.000 2.309 422 L HA 0.383 4.723 4.340 -0.000 0.000 0.282 422 L C -2.057 174.714 176.870 -0.164 0.000 1.036 422 L CA -2.221 52.455 54.840 -0.273 0.000 0.806 422 L CB 0.760 42.615 42.059 -0.340 0.000 1.220 422 L HN 0.109 nan 8.230 nan 0.000 0.429 423 P HA 0.145 nan 4.420 nan 0.000 0.274 423 P C -1.074 176.125 177.300 -0.168 0.000 1.264 423 P CA -0.405 62.428 63.100 -0.444 0.000 0.795 423 P CB 0.730 31.855 31.700 -0.959 0.000 1.064 424 D N 0.000 120.412 120.400 0.020 0.000 6.856 424 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 424 D CA 0.000 54.059 54.000 0.099 0.000 0.868 424 D CB 0.000 40.880 40.800 0.133 0.000 0.688 424 D HN 0.000 nan 8.370 nan 0.000 0.683