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 2xgt_1_B DATA FIRST_RESID 114 DATA SEQUENCE VKIRDLVKHR NERVCIKGWI HRMRRQGKSL MFFILRDGTG FLQVLLMDKL DATA SEQUENCE CQTYDALTVN TECTVEIYGA IKEVPEXXEA PNGHELIADF WKIIGNAPPG DATA SEQUENCE GIDNVLNEEA SVDKMLDNRH LVIRGENAAA LLRLRAAATR AMREHFYNAG DATA SEQUENCE YVEVAPPTLV QTQVEGGSTL FNLDYFGEQS FLTQSSQLYL ETCIPTLGDV DATA SEQUENCE FCIAQSYRAE KSRTRRHLAE YAHVEAECPF ITLDDLMEKI EELVCDTVDR DATA SEQUENCE LLADEEAKKL LEHINPKFQP PERPFLRMEY KDAIKWLQEH NVENEFGNTF DATA SEQUENCE TYGEDIAEAA ERFMTDTINK PILLNRFPSE IKAFYMQRDA QDNTLTESVD DATA SEQUENCE LLMPGVGEIV GGSMRIWKFD ELSKAFKNVE IDPKPYYWYL DQRLYGTCPH DATA SEQUENCE GGYGLGLERF ICWLTNTNHI RDVCLYPRFV GRCVP 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 114 V HA 0.000 nan 4.120 nan 0.000 0.244 114 V C 0.000 176.072 176.094 -0.037 0.000 1.182 114 V CA 0.000 62.264 62.300 -0.060 0.000 1.235 114 V CB 0.000 31.735 31.823 -0.146 0.000 1.184 115 K N 3.500 123.900 120.400 0.000 0.000 2.090 115 K HA 0.598 4.918 4.320 -0.001 0.000 0.250 115 K C 1.199 177.809 176.600 0.016 0.000 1.004 115 K CA -0.458 55.832 56.287 0.006 0.000 0.919 115 K CB 2.013 34.522 32.500 0.015 0.000 1.045 115 K HN 0.787 nan 8.250 nan 0.000 0.471 116 I N 1.487 122.063 120.570 0.010 0.000 2.194 116 I HA -0.358 3.811 4.170 -0.001 0.000 0.246 116 I C 2.479 178.633 176.117 0.062 0.000 1.093 116 I CA 1.599 62.916 61.300 0.028 0.000 1.355 116 I CB -0.267 37.738 38.000 0.009 0.000 1.046 116 I HN 0.605 nan 8.210 nan 0.000 0.413 117 R N 0.611 121.136 120.500 0.041 0.000 2.200 117 R HA -0.165 4.174 4.340 -0.001 0.000 0.234 117 R C 0.962 177.309 176.300 0.078 0.000 1.127 117 R CA 1.677 57.808 56.100 0.052 0.000 0.989 117 R CB -0.590 29.725 30.300 0.025 0.000 0.869 117 R HN 0.355 nan 8.270 nan 0.000 0.459 118 D N 0.924 121.378 120.400 0.090 0.000 2.349 118 D HA 0.048 4.688 4.640 -0.001 0.000 0.215 118 D C 1.845 178.268 176.300 0.205 0.000 1.016 118 D CA 0.322 54.400 54.000 0.129 0.000 0.870 118 D CB 0.167 41.059 40.800 0.153 0.000 0.917 118 D HN 0.279 nan 8.370 nan 0.000 0.524 119 L N 0.988 122.317 121.223 0.176 0.000 2.131 119 L HA -0.137 4.202 4.340 -0.001 0.000 0.210 119 L C 2.551 179.538 176.870 0.194 0.000 1.092 119 L CA 0.688 55.619 54.840 0.151 0.000 0.759 119 L CB -0.656 41.383 42.059 -0.032 0.000 0.903 119 L HN 0.019 nan 8.230 nan 0.000 0.435 120 V N -0.738 119.346 119.914 0.282 0.000 2.660 120 V HA -0.257 3.862 4.120 -0.001 0.000 0.257 120 V C 1.947 178.088 176.094 0.079 0.000 1.088 120 V CA 2.087 64.521 62.300 0.223 0.000 1.106 120 V CB -1.139 30.757 31.823 0.122 0.000 0.686 120 V HN 0.697 nan 8.190 nan 0.000 0.481 121 K N -0.742 119.648 120.400 -0.016 0.000 2.437 121 K HA 0.169 4.489 4.320 -0.001 0.000 0.205 121 K C 0.446 176.824 176.600 -0.370 0.000 1.026 121 K CA 0.143 56.322 56.287 -0.180 0.000 1.153 121 K CB -0.181 32.181 32.500 -0.230 0.000 0.863 121 K HN 0.607 nan 8.250 nan 0.000 0.502 122 H N 0.304 119.387 119.070 0.021 0.000 2.575 122 H HA 0.290 4.845 4.556 -0.001 0.000 0.256 122 H C -0.694 174.630 175.328 -0.006 0.000 1.162 122 H CA -0.791 55.257 56.048 -0.000 0.000 0.969 122 H CB 0.566 30.316 29.762 -0.019 0.000 1.796 122 H HN -0.031 nan 8.280 nan 0.000 0.607 123 R N 1.686 122.234 120.500 0.080 0.000 2.640 123 R HA -0.014 4.325 4.340 -0.001 0.000 0.270 123 R C 0.520 176.854 176.300 0.056 0.000 1.024 123 R CA 0.295 56.435 56.100 0.067 0.000 1.085 123 R CB -0.086 30.259 30.300 0.074 0.000 0.963 123 R HN 0.410 nan 8.270 nan 0.000 0.426 124 N N 0.325 119.053 118.700 0.046 0.000 2.741 124 N HA -0.203 4.536 4.740 -0.001 0.000 0.251 124 N C -1.019 174.518 175.510 0.044 0.000 1.112 124 N CA 1.431 54.505 53.050 0.040 0.000 0.750 124 N CB -0.965 37.544 38.487 0.035 0.000 1.119 124 N HN 0.683 nan 8.380 nan 0.000 0.561 125 E N -0.223 120.010 120.200 0.055 0.000 2.339 125 E HA 0.464 4.813 4.350 -0.001 0.000 0.262 125 E C 0.047 176.670 176.600 0.037 0.000 0.934 125 E CA -0.906 55.529 56.400 0.058 0.000 0.802 125 E CB 2.057 31.816 29.700 0.099 0.000 1.275 125 E HN 0.112 nan 8.360 nan 0.000 0.427 126 R N 1.204 121.724 120.500 0.033 0.000 2.297 126 R HA 0.397 4.736 4.340 -0.001 0.000 0.308 126 R C -0.765 175.532 176.300 -0.006 0.000 1.029 126 R CA -0.421 55.698 56.100 0.031 0.000 0.929 126 R CB 0.717 31.052 30.300 0.058 0.000 1.046 126 R HN 0.383 nan 8.270 nan 0.000 0.461 127 V N 1.259 121.152 119.914 -0.036 0.000 3.040 127 V HA 0.598 4.718 4.120 -0.001 0.000 0.312 127 V C -0.967 175.016 176.094 -0.185 0.000 1.115 127 V CA -1.248 60.975 62.300 -0.128 0.000 0.998 127 V CB 1.607 33.325 31.823 -0.175 0.000 1.042 127 V HN 0.944 nan 8.190 nan 0.000 0.433 128 C N 4.074 123.185 119.300 -0.316 0.000 2.329 128 C HA 0.893 5.352 4.460 -0.001 0.000 0.329 128 C C -0.479 174.324 174.990 -0.311 0.000 1.275 128 C CA -0.197 58.489 59.018 -0.553 0.000 1.726 128 C CB -0.266 27.015 27.740 -0.765 0.000 2.291 128 C HN 0.992 nan 8.230 nan 0.000 0.514 129 I N 4.838 125.262 120.570 -0.243 0.000 2.769 129 I HA 0.593 4.763 4.170 -0.001 0.000 0.298 129 I C -0.970 175.091 176.117 -0.094 0.000 1.128 129 I CA -0.245 60.976 61.300 -0.131 0.000 1.031 129 I CB 1.865 39.817 38.000 -0.081 0.000 1.235 129 I HN 0.720 nan 8.210 nan 0.000 0.423 130 K N 4.277 124.629 120.400 -0.079 0.000 2.378 130 K HA 0.878 5.197 4.320 -0.001 0.000 0.252 130 K C -0.728 175.810 176.600 -0.103 0.000 0.931 130 K CA -0.838 55.391 56.287 -0.097 0.000 0.794 130 K CB 2.169 34.601 32.500 -0.114 0.000 1.181 130 K HN 0.832 nan 8.250 nan 0.000 0.425 131 G N 1.124 109.823 108.800 -0.168 0.000 2.489 131 G HA2 0.300 4.259 3.960 -0.001 0.000 0.305 131 G HA3 0.300 4.259 3.960 -0.001 0.000 0.305 131 G C -1.859 172.896 174.900 -0.243 0.000 1.311 131 G CA -0.815 44.210 45.100 -0.124 0.000 0.813 131 G HN 0.368 nan 8.290 nan 0.000 0.480 132 W N 0.451 121.738 121.300 -0.021 0.000 2.438 132 W HA 0.459 5.119 4.660 -0.001 0.000 0.324 132 W C -0.096 176.414 176.519 -0.015 0.000 1.119 132 W CA -0.672 56.664 57.345 -0.014 0.000 1.221 132 W CB 1.543 31.013 29.460 0.016 0.000 1.253 132 W HN 0.141 nan 8.180 nan 0.000 0.555 133 I N 3.423 124.056 120.570 0.104 0.000 2.311 133 I HA -0.086 4.083 4.170 -0.001 0.000 0.297 133 I C 1.221 177.419 176.117 0.136 0.000 1.131 133 I CA 0.166 61.459 61.300 -0.011 0.000 1.289 133 I CB -0.010 37.834 38.000 -0.261 0.000 1.446 133 I HN 0.570 nan 8.210 nan 0.000 0.524 134 H N 7.863 127.014 119.070 0.135 0.000 2.333 134 H HA 0.126 4.682 4.556 -0.001 0.000 0.302 134 H C 0.303 175.689 175.328 0.095 0.000 1.075 134 H CA 1.631 57.777 56.048 0.163 0.000 1.348 134 H CB 0.504 30.449 29.762 0.305 0.000 1.393 134 H HN 0.503 nan 8.280 nan 0.000 0.509 135 R N -0.460 120.104 120.500 0.108 0.000 2.707 135 R HA 0.455 4.795 4.340 -0.001 0.000 0.272 135 R C -1.159 175.210 176.300 0.115 0.000 1.011 135 R CA -0.769 55.354 56.100 0.038 0.000 0.893 135 R CB 2.578 32.897 30.300 0.032 0.000 1.233 135 R HN 0.251 nan 8.270 nan 0.000 0.464 136 M N -0.345 119.318 119.600 0.106 0.000 2.622 136 M HA 0.651 5.131 4.480 -0.001 0.000 0.276 136 M C -1.303 175.087 176.300 0.150 0.000 1.265 136 M CA -0.997 54.426 55.300 0.206 0.000 0.850 136 M CB 3.206 35.956 32.600 0.250 0.000 1.720 136 M HN 0.482 nan 8.290 nan 0.000 0.465 137 R N 0.766 121.380 120.500 0.190 0.000 2.548 137 R HA 0.560 4.899 4.340 -0.001 0.000 0.280 137 R C -1.606 174.789 176.300 0.158 0.000 1.061 137 R CA -0.647 55.538 56.100 0.142 0.000 0.915 137 R CB 2.525 32.891 30.300 0.109 0.000 1.210 137 R HN 0.890 nan 8.270 nan 0.000 0.442 138 R N 2.371 122.935 120.500 0.107 0.000 2.368 138 R HA 0.206 4.545 4.340 -0.001 0.000 0.302 138 R C -0.625 175.726 176.300 0.086 0.000 1.002 138 R CA -0.563 55.588 56.100 0.084 0.000 0.929 138 R CB 1.921 32.257 30.300 0.060 0.000 1.073 138 R HN 0.481 nan 8.270 nan 0.000 0.464 139 Q N 2.035 121.889 119.800 0.089 0.000 2.558 139 Q HA 0.294 4.633 4.340 -0.001 0.000 0.252 139 Q C -0.198 175.832 176.000 0.050 0.000 1.015 139 Q CA -0.017 55.834 55.803 0.080 0.000 0.720 139 Q CB 1.325 30.141 28.738 0.130 0.000 1.215 139 Q HN 0.937 nan 8.270 nan 0.000 0.500 140 G N 2.740 111.562 108.800 0.037 0.000 2.553 140 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.242 140 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.242 140 G C -0.041 174.872 174.900 0.021 0.000 1.277 140 G CA 0.070 45.185 45.100 0.026 0.000 0.910 140 G HN 0.601 nan 8.290 nan 0.000 0.576 141 K N -0.261 120.148 120.400 0.016 0.000 2.413 141 K HA 0.416 4.735 4.320 -0.001 0.000 0.204 141 K C 1.088 177.692 176.600 0.007 0.000 1.041 141 K CA 0.666 56.962 56.287 0.015 0.000 1.082 141 K CB 0.842 33.352 32.500 0.018 0.000 0.871 141 K HN 0.260 nan 8.250 nan 0.000 0.535 142 S N 0.631 116.328 115.700 -0.005 0.000 2.847 142 S HA 0.200 4.669 4.470 -0.001 0.000 0.254 142 S C -0.656 173.909 174.600 -0.057 0.000 1.039 142 S CA -0.390 57.798 58.200 -0.020 0.000 1.113 142 S CB 0.454 63.647 63.200 -0.012 0.000 1.092 142 S HN 0.060 nan 8.310 nan 0.000 0.620 143 L N 1.729 122.911 121.223 -0.068 0.000 2.455 143 L HA 0.753 5.093 4.340 -0.001 0.000 0.264 143 L C -1.266 175.509 176.870 -0.159 0.000 0.968 143 L CA -0.352 54.399 54.840 -0.148 0.000 0.827 143 L CB 2.023 44.023 42.059 -0.097 0.000 1.317 143 L HN 0.245 nan 8.230 nan 0.000 0.407 144 M N 3.717 123.112 119.600 -0.343 0.000 2.413 144 M HA 0.578 5.057 4.480 -0.001 0.000 0.287 144 M C -2.014 173.931 176.300 -0.591 0.000 1.186 144 M CA -0.231 54.887 55.300 -0.303 0.000 0.927 144 M CB 1.890 34.316 32.600 -0.290 0.000 1.715 144 M HN 0.470 nan 8.290 nan 0.000 0.478 145 F N 3.619 123.428 119.950 -0.236 0.000 2.495 145 F HA 0.621 5.147 4.527 -0.001 0.000 0.327 145 F C -1.071 174.680 175.800 -0.081 0.000 1.103 145 F CA -0.314 57.560 58.000 -0.211 0.000 0.949 145 F CB 1.597 40.555 39.000 -0.070 0.000 1.142 145 F HN 0.369 nan 8.300 nan 0.000 0.457 146 F N 3.695 123.680 119.950 0.058 0.000 2.480 146 F HA 0.524 5.050 4.527 -0.001 0.000 0.329 146 F C -0.179 175.684 175.800 0.105 0.000 1.091 146 F CA -1.290 56.731 58.000 0.034 0.000 0.972 146 F CB 1.644 40.605 39.000 -0.064 0.000 1.150 146 F HN 0.060 nan 8.300 nan 0.000 0.467 147 I N 4.360 125.127 120.570 0.328 0.000 2.306 147 I HA 0.200 4.369 4.170 -0.001 0.000 0.288 147 I C -0.272 176.039 176.117 0.324 0.000 1.036 147 I CA -0.466 61.013 61.300 0.299 0.000 1.221 147 I CB 0.751 38.914 38.000 0.272 0.000 1.385 147 I HN 0.378 nan 8.210 nan 0.000 0.472 148 L N 7.810 129.199 121.223 0.276 0.000 2.375 148 L HA 0.475 4.815 4.340 -0.001 0.000 0.271 148 L C 0.178 177.153 176.870 0.176 0.000 1.107 148 L CA 0.024 54.987 54.840 0.206 0.000 0.806 148 L CB 0.723 42.870 42.059 0.146 0.000 1.146 148 L HN 0.610 nan 8.230 nan 0.000 0.447 149 R N 2.247 122.821 120.500 0.124 0.000 2.574 149 R HA 0.382 4.722 4.340 -0.001 0.000 0.288 149 R C -1.136 175.198 176.300 0.057 0.000 1.004 149 R CA -0.377 55.656 56.100 -0.112 0.000 0.895 149 R CB 1.196 31.452 30.300 -0.072 0.000 1.191 149 R HN 0.782 nan 8.270 nan 0.000 0.444 150 D N 2.686 123.050 120.400 -0.060 0.000 2.556 150 D HA 0.176 4.815 4.640 -0.001 0.000 0.237 150 D C 0.902 177.193 176.300 -0.014 0.000 1.296 150 D CA 0.414 54.483 54.000 0.115 0.000 0.807 150 D CB 0.952 41.817 40.800 0.108 0.000 1.084 150 D HN 0.824 nan 8.370 nan 0.000 0.510 151 G N 0.698 109.388 108.800 -0.184 0.000 2.268 151 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.240 151 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.240 151 G C 1.122 175.925 174.900 -0.161 0.000 1.010 151 G CA 0.752 45.743 45.100 -0.180 0.000 0.618 151 G HN 0.773 nan 8.290 nan 0.000 0.516 152 T N -1.481 112.987 114.554 -0.144 0.000 3.092 152 T HA 0.602 4.951 4.350 -0.001 0.000 0.258 152 T C 1.177 175.806 174.700 -0.119 0.000 1.031 152 T CA 1.227 63.269 62.100 -0.097 0.000 0.925 152 T CB 0.903 69.747 68.868 -0.040 0.000 1.036 152 T HN 2.280 nan 8.240 nan 0.000 0.544 153 G N 0.368 109.011 108.800 -0.262 0.000 2.369 153 G HA2 0.380 4.339 3.960 -0.001 0.000 0.293 153 G HA3 0.380 4.339 3.960 -0.001 0.000 0.293 153 G C -1.913 172.666 174.900 -0.536 0.000 1.301 153 G CA -1.152 43.803 45.100 -0.242 0.000 0.913 153 G HN 0.186 nan 8.290 nan 0.000 0.540 154 F N -0.672 119.275 119.950 -0.005 0.000 2.546 154 F HA 0.856 5.383 4.527 -0.001 0.000 0.320 154 F C -0.053 175.786 175.800 0.065 0.000 1.076 154 F CA -0.940 57.065 58.000 0.007 0.000 0.928 154 F CB 2.382 41.360 39.000 -0.037 0.000 1.189 154 F HN 0.507 nan 8.300 nan 0.000 0.465 155 L N 2.248 123.629 121.223 0.263 0.000 2.470 155 L HA 0.419 4.758 4.340 -0.001 0.000 0.268 155 L C -0.896 176.099 176.870 0.209 0.000 0.964 155 L CA -0.394 54.576 54.840 0.216 0.000 0.839 155 L CB 1.981 44.130 42.059 0.150 0.000 1.276 155 L HN 0.685 nan 8.230 nan 0.000 0.403 156 Q N 3.134 123.054 119.800 0.199 0.000 2.296 156 Q HA 0.590 4.929 4.340 -0.001 0.000 0.262 156 Q C -1.521 174.566 176.000 0.144 0.000 0.981 156 Q CA -0.298 55.617 55.803 0.188 0.000 0.905 156 Q CB 1.007 29.854 28.738 0.180 0.000 1.186 156 Q HN 0.644 nan 8.270 nan 0.000 0.399 157 V N 5.409 125.393 119.914 0.117 0.000 2.540 157 V HA 0.411 4.530 4.120 -0.001 0.000 0.302 157 V C -0.892 175.088 176.094 -0.189 0.000 1.035 157 V CA -0.937 61.345 62.300 -0.030 0.000 0.873 157 V CB 1.550 33.350 31.823 -0.038 0.000 0.992 157 V HN 0.707 nan 8.190 nan 0.000 0.428 158 L N 6.316 127.376 121.223 -0.272 0.000 2.313 158 L HA 0.763 5.102 4.340 -0.001 0.000 0.283 158 L C -1.109 175.471 176.870 -0.485 0.000 1.013 158 L CA -0.006 54.530 54.840 -0.506 0.000 0.816 158 L CB 1.351 43.189 42.059 -0.369 0.000 1.236 158 L HN 0.554 nan 8.230 nan 0.000 0.419 159 L N 6.043 126.897 121.223 -0.615 0.000 2.362 159 L HA 0.672 5.011 4.340 -0.001 0.000 0.275 159 L C -0.363 176.305 176.870 -0.338 0.000 0.998 159 L CA -0.131 54.429 54.840 -0.467 0.000 0.820 159 L CB 1.887 43.562 42.059 -0.640 0.000 1.270 159 L HN 0.626 nan 8.230 nan 0.000 0.415 160 M N 1.532 121.017 119.600 -0.192 0.000 2.591 160 M HA 0.471 4.950 4.480 -0.001 0.000 0.306 160 M C -0.559 175.710 176.300 -0.052 0.000 1.190 160 M CA -0.628 54.594 55.300 -0.129 0.000 0.889 160 M CB 2.150 34.682 32.600 -0.112 0.000 1.728 160 M HN 0.700 nan 8.290 nan 0.000 0.458 161 D N 0.708 121.087 120.400 -0.036 0.000 3.955 161 D HA -0.238 4.401 4.640 -0.001 0.000 0.142 161 D C 0.780 177.092 176.300 0.019 0.000 0.877 161 D CA 1.632 55.629 54.000 -0.005 0.000 1.100 161 D CB -0.608 40.191 40.800 -0.002 0.000 0.533 161 D HN 0.721 nan 8.370 nan 0.000 0.546 162 K N 0.639 121.058 120.400 0.031 0.000 2.113 162 K HA -0.074 4.245 4.320 -0.001 0.000 0.208 162 K C 2.263 178.908 176.600 0.076 0.000 1.047 162 K CA 1.357 57.672 56.287 0.046 0.000 0.928 162 K CB -0.294 32.233 32.500 0.045 0.000 0.716 162 K HN 0.365 nan 8.250 nan 0.000 0.446 163 L N 0.257 121.542 121.223 0.105 0.000 2.456 163 L HA -0.151 4.188 4.340 -0.001 0.000 0.224 163 L C 1.701 178.736 176.870 0.276 0.000 1.148 163 L CA 0.399 55.377 54.840 0.231 0.000 0.825 163 L CB -0.373 41.824 42.059 0.229 0.000 0.937 163 L HN 0.290 nan 8.230 nan 0.000 0.450 164 C N -0.808 118.564 119.300 0.121 0.000 2.791 164 C HA 0.097 4.556 4.460 -0.001 0.000 0.270 164 C C 2.053 177.102 174.990 0.099 0.000 1.257 164 C CA -0.150 58.925 59.018 0.094 0.000 1.699 164 C CB -0.535 27.209 27.740 0.007 0.000 1.904 164 C HN 0.531 nan 8.230 nan 0.000 0.603 165 Q N 0.186 120.044 119.800 0.096 0.000 2.185 165 Q HA 0.056 4.395 4.340 -0.001 0.000 0.234 165 Q C 0.910 176.948 176.000 0.063 0.000 0.819 165 Q CA 0.077 55.919 55.803 0.066 0.000 0.961 165 Q CB 0.668 29.435 28.738 0.048 0.000 1.140 165 Q HN 0.715 nan 8.270 nan 0.000 0.492 166 T N -2.514 112.077 114.554 0.061 0.000 2.788 166 T HA 0.017 4.367 4.350 -0.001 0.000 0.287 166 T C 0.752 175.487 174.700 0.058 0.000 1.007 166 T CA -0.513 61.604 62.100 0.028 0.000 1.005 166 T CB 0.668 69.487 68.868 -0.082 0.000 1.012 166 T HN 0.138 nan 8.240 nan 0.000 0.530 167 Y N 1.230 121.499 120.300 -0.052 0.000 2.114 167 Y HA -0.223 4.326 4.550 -0.001 0.000 0.282 167 Y C 2.031 177.908 175.900 -0.039 0.000 1.165 167 Y CA 2.452 60.529 58.100 -0.039 0.000 1.148 167 Y CB -0.668 37.761 38.460 -0.051 0.000 0.972 167 Y HN 0.721 nan 8.280 nan 0.000 0.504 168 D N -0.094 120.228 120.400 -0.131 0.000 2.117 168 D HA -0.186 4.453 4.640 -0.001 0.000 0.197 168 D C 2.348 178.670 176.300 0.038 0.000 0.987 168 D CA 1.516 55.382 54.000 -0.223 0.000 0.829 168 D CB -0.792 39.674 40.800 -0.558 0.000 0.961 168 D HN 0.473 nan 8.370 nan 0.000 0.460 169 A N 0.701 123.625 122.820 0.174 0.000 1.917 169 A HA -0.163 4.157 4.320 -0.001 0.000 0.219 169 A C 2.285 179.974 177.584 0.176 0.000 1.182 169 A CA 1.145 53.428 52.037 0.410 0.000 0.633 169 A CB -0.768 18.436 19.000 0.340 0.000 0.819 169 A HN 0.269 nan 8.150 nan 0.000 0.448 170 L N -0.589 120.651 121.223 0.027 0.000 2.492 170 L HA -0.017 4.322 4.340 -0.001 0.000 0.223 170 L C 2.148 178.960 176.870 -0.096 0.000 1.132 170 L CA 1.399 56.223 54.840 -0.028 0.000 0.850 170 L CB -0.269 41.765 42.059 -0.042 0.000 0.966 170 L HN 0.649 nan 8.230 nan 0.000 0.454 171 T N -4.924 109.529 114.554 -0.170 0.000 3.003 171 T HA 0.146 4.496 4.350 -0.001 0.000 0.261 171 T C 0.501 175.162 174.700 -0.065 0.000 1.003 171 T CA -0.177 61.806 62.100 -0.196 0.000 0.917 171 T CB 0.095 68.689 68.868 -0.457 0.000 1.084 171 T HN -0.046 nan 8.240 nan 0.000 0.522 172 V N 2.769 122.706 119.914 0.039 0.000 2.740 172 V HA 0.382 4.502 4.120 -0.001 0.000 0.303 172 V C -0.727 175.381 176.094 0.022 0.000 1.054 172 V CA -0.149 62.196 62.300 0.075 0.000 1.106 172 V CB 0.516 32.465 31.823 0.209 0.000 0.957 172 V HN 0.499 nan 8.190 nan 0.000 0.486 173 N N 2.206 120.897 118.700 -0.015 0.000 2.469 173 N HA 0.443 5.183 4.740 -0.001 0.000 0.286 173 N C -0.685 174.794 175.510 -0.052 0.000 1.275 173 N CA -0.123 52.916 53.050 -0.020 0.000 0.790 173 N CB 1.878 40.361 38.487 -0.006 0.000 1.446 173 N HN 0.829 nan 8.380 nan 0.000 0.501 174 T N -0.727 113.807 114.554 -0.033 0.000 2.932 174 T HA 0.087 4.436 4.350 -0.001 0.000 0.312 174 T C 0.432 175.138 174.700 0.010 0.000 1.071 174 T CA 0.147 62.230 62.100 -0.029 0.000 1.128 174 T CB 0.495 69.345 68.868 -0.031 0.000 0.984 174 T HN 0.529 nan 8.240 nan 0.000 0.549 175 E N -1.836 118.401 120.200 0.060 0.000 3.799 175 E HA -0.199 4.150 4.350 -0.001 0.000 0.320 175 E C 0.451 177.149 176.600 0.163 0.000 0.760 175 E CA 0.667 57.166 56.400 0.165 0.000 1.153 175 E CB -2.553 27.222 29.700 0.125 0.000 1.589 175 E HN 0.831 nan 8.360 nan 0.000 0.448 176 C N 1.911 121.232 119.300 0.034 0.000 2.703 176 C HA 0.267 4.727 4.460 -0.001 0.000 0.411 176 C C 1.474 176.394 174.990 -0.116 0.000 1.290 176 C CA 0.583 59.586 59.018 -0.026 0.000 2.054 176 C CB 0.018 27.721 27.740 -0.061 0.000 2.732 176 C HN 0.427 nan 8.230 nan 0.000 0.650 177 T N 0.704 115.129 114.554 -0.216 0.000 2.867 177 T HA 0.692 5.041 4.350 -0.001 0.000 0.282 177 T C -0.526 174.046 174.700 -0.213 0.000 1.000 177 T CA -0.568 61.282 62.100 -0.417 0.000 1.042 177 T CB 1.180 69.660 68.868 -0.646 0.000 0.973 177 T HN 0.973 nan 8.240 nan 0.000 0.465 178 V N -0.765 119.039 119.914 -0.184 0.000 3.114 178 V HA 0.767 4.886 4.120 -0.001 0.000 0.308 178 V C -0.955 175.142 176.094 0.004 0.000 1.168 178 V CA -1.190 61.108 62.300 -0.003 0.000 1.015 178 V CB 1.930 33.818 31.823 0.109 0.000 1.050 178 V HN 1.133 nan 8.190 nan 0.000 0.433 179 E N 1.874 122.135 120.200 0.102 0.000 2.176 179 E HA 0.728 5.077 4.350 -0.001 0.000 0.267 179 E C -1.558 175.180 176.600 0.229 0.000 0.893 179 E CA -0.805 55.664 56.400 0.116 0.000 0.761 179 E CB 1.848 31.638 29.700 0.149 0.000 1.133 179 E HN 0.782 nan 8.360 nan 0.000 0.409 180 I N 4.030 124.697 120.570 0.161 0.000 2.498 180 I HA 0.334 4.504 4.170 -0.001 0.000 0.290 180 I C -1.228 174.972 176.117 0.139 0.000 1.032 180 I CA -0.969 60.469 61.300 0.231 0.000 1.073 180 I CB 1.289 39.373 38.000 0.140 0.000 1.251 180 I HN 0.502 nan 8.210 nan 0.000 0.426 181 Y N 3.217 123.659 120.300 0.237 0.000 2.409 181 Y HA 0.869 5.419 4.550 -0.001 0.000 0.339 181 Y C 0.666 176.645 175.900 0.132 0.000 1.033 181 Y CA -0.625 57.587 58.100 0.187 0.000 1.094 181 Y CB 2.216 40.824 38.460 0.245 0.000 1.210 181 Y HN 0.750 nan 8.280 nan 0.000 0.456 182 G N 0.122 109.041 108.800 0.199 0.000 2.317 182 G HA2 0.523 4.482 3.960 -0.001 0.000 0.293 182 G HA3 0.523 4.482 3.960 -0.001 0.000 0.293 182 G C -2.073 172.859 174.900 0.053 0.000 1.287 182 G CA -0.380 44.788 45.100 0.115 0.000 0.850 182 G HN 0.741 nan 8.290 nan 0.000 0.515 183 A N -0.113 122.725 122.820 0.031 0.000 2.317 183 A HA 0.724 5.043 4.320 -0.001 0.000 0.327 183 A C -0.031 177.548 177.584 -0.008 0.000 1.178 183 A CA -0.598 51.448 52.037 0.016 0.000 0.817 183 A CB 0.566 19.580 19.000 0.023 0.000 1.189 183 A HN 0.683 nan 8.150 nan 0.000 0.489 184 I N 2.424 122.981 120.570 -0.022 0.000 2.352 184 I HA 0.254 4.423 4.170 -0.001 0.000 0.290 184 I C 0.173 176.287 176.117 -0.005 0.000 1.036 184 I CA 0.299 61.564 61.300 -0.059 0.000 1.336 184 I CB 0.465 38.391 38.000 -0.122 0.000 1.407 184 I HN 0.623 nan 8.210 nan 0.000 0.497 185 K N 5.553 125.966 120.400 0.021 0.000 2.378 185 K HA 0.407 4.726 4.320 -0.001 0.000 0.252 185 K C -0.527 176.133 176.600 0.101 0.000 0.931 185 K CA -0.823 55.497 56.287 0.054 0.000 0.794 185 K CB 2.510 35.035 32.500 0.041 0.000 1.181 185 K HN 0.482 nan 8.250 nan 0.000 0.425 186 E N 1.144 121.404 120.200 0.100 0.000 2.392 186 E HA 0.067 4.416 4.350 -0.001 0.000 0.264 186 E C -0.539 176.111 176.600 0.083 0.000 1.024 186 E CA -0.148 56.318 56.400 0.109 0.000 0.903 186 E CB 0.827 30.571 29.700 0.074 0.000 0.963 186 E HN 0.105 nan 8.360 nan 0.000 0.432 187 V N 5.188 125.150 119.914 0.080 0.000 2.239 187 V HA 0.158 4.277 4.120 -0.001 0.000 0.267 187 V C -2.007 174.106 176.094 0.032 0.000 1.056 187 V CA -1.482 60.851 62.300 0.056 0.000 0.830 187 V CB 0.670 32.530 31.823 0.063 0.000 1.090 187 V HN 0.599 nan 8.190 nan 0.000 0.459 188 P HA 0.167 nan 4.420 nan 0.000 0.235 188 P C 0.460 177.765 177.300 0.009 0.000 1.765 188 P CA -0.079 63.029 63.100 0.015 0.000 1.034 188 P CB -0.069 31.641 31.700 0.016 0.000 1.984 193 A N 4.366 127.188 122.820 0.003 0.000 2.414 193 A HA 0.839 5.159 4.320 -0.001 0.000 0.306 193 A C -2.668 174.922 177.584 0.011 0.000 1.054 193 A CA -1.680 50.373 52.037 0.026 0.000 0.724 193 A CB 1.357 20.401 19.000 0.073 0.000 1.267 193 A HN 0.257 nan 8.150 nan 0.000 0.418 194 P HA 0.044 nan 4.420 nan 0.000 0.261 194 P C -0.186 177.082 177.300 -0.054 0.000 1.173 194 P CA 0.770 63.880 63.100 0.017 0.000 0.760 194 P CB 0.133 31.891 31.700 0.096 0.000 0.783 195 N N 2.221 120.846 118.700 -0.125 0.000 2.782 195 N HA -0.188 4.552 4.740 -0.001 0.000 0.251 195 N C 0.861 176.084 175.510 -0.478 0.000 1.101 195 N CA 1.445 54.322 53.050 -0.288 0.000 0.764 195 N CB -1.868 36.425 38.487 -0.324 0.000 1.122 195 N HN 0.853 nan 8.380 nan 0.000 0.561 196 G N 0.247 108.899 108.800 -0.246 0.000 2.168 196 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.257 196 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.257 196 G C -0.024 174.831 174.900 -0.074 0.000 0.997 196 G CA 1.472 46.483 45.100 -0.148 0.000 0.708 196 G HN 1.107 nan 8.290 nan 0.000 0.520 197 H N -2.195 116.897 119.070 0.037 0.000 2.942 197 H HA 0.824 5.379 4.556 -0.001 0.000 0.316 197 H C -0.469 174.889 175.328 0.051 0.000 1.323 197 H CA -0.592 55.480 56.048 0.041 0.000 1.144 197 H CB 1.387 31.174 29.762 0.042 0.000 1.866 197 H HN 0.467 nan 8.280 nan 0.000 0.545 198 E N 1.000 121.338 120.200 0.230 0.000 2.412 198 E HA 0.386 4.735 4.350 -0.001 0.000 0.279 198 E C -1.868 174.749 176.600 0.028 0.000 0.984 198 E CA -1.142 55.338 56.400 0.134 0.000 0.788 198 E CB 2.980 32.756 29.700 0.125 0.000 1.277 198 E HN 0.372 nan 8.360 nan 0.000 0.455 199 L N 2.229 123.455 121.223 0.005 0.000 2.265 199 L HA 0.433 4.772 4.340 -0.001 0.000 0.289 199 L C -1.407 175.439 176.870 -0.039 0.000 1.033 199 L CA -0.491 54.330 54.840 -0.031 0.000 0.814 199 L CB 0.830 42.868 42.059 -0.034 0.000 1.203 199 L HN 0.564 nan 8.230 nan 0.000 0.423 200 I N 5.992 126.543 120.570 -0.032 0.000 2.291 200 I HA 0.442 4.611 4.170 -0.001 0.000 0.290 200 I C 0.638 176.737 176.117 -0.029 0.000 1.050 200 I CA 0.003 61.272 61.300 -0.051 0.000 1.245 200 I CB 1.095 39.077 38.000 -0.030 0.000 1.405 200 I HN 0.761 nan 8.210 nan 0.000 0.478 201 A N 4.294 127.077 122.820 -0.061 0.000 2.488 201 A HA 0.266 4.585 4.320 -0.001 0.000 0.249 201 A C 0.727 178.350 177.584 0.064 0.000 1.083 201 A CA -0.098 51.944 52.037 0.007 0.000 0.768 201 A CB -0.033 18.925 19.000 -0.071 0.000 1.017 201 A HN 0.849 nan 8.150 nan 0.000 0.496 202 D N 0.251 120.740 120.400 0.149 0.000 2.407 202 D HA 0.304 4.943 4.640 -0.001 0.000 0.208 202 D C -0.206 176.270 176.300 0.294 0.000 1.083 202 D CA 0.023 54.125 54.000 0.171 0.000 0.844 202 D CB 0.161 41.041 40.800 0.132 0.000 0.967 202 D HN 0.366 nan 8.370 nan 0.000 0.506 203 F N 0.893 120.956 119.950 0.187 0.000 2.708 203 F HA 0.501 5.027 4.527 -0.001 0.000 0.309 203 F C -2.234 173.802 175.800 0.394 0.000 1.120 203 F CA -0.956 57.161 58.000 0.195 0.000 0.978 203 F CB 1.192 40.204 39.000 0.019 0.000 1.283 203 F HN 0.057 nan 8.300 nan 0.000 0.439 204 W N 4.600 125.292 121.300 -1.013 0.000 3.153 204 W HA 0.637 5.296 4.660 -0.001 0.000 0.316 204 W C -2.445 173.624 176.519 -0.750 0.000 1.255 204 W CA -1.073 55.877 57.345 -0.660 0.000 1.192 204 W CB 1.144 30.502 29.460 -0.171 0.000 1.400 204 W HN 0.819 nan 8.180 nan 0.000 0.568 205 K N 1.160 121.328 120.400 -0.387 0.000 2.536 205 K HA 0.691 5.011 4.320 -0.001 0.000 0.269 205 K C -0.916 175.631 176.600 -0.088 0.000 0.965 205 K CA -1.071 54.923 56.287 -0.488 0.000 0.860 205 K CB 2.684 35.001 32.500 -0.306 0.000 1.423 205 K HN 0.431 nan 8.250 nan 0.000 0.438 206 I N 2.768 123.250 120.570 -0.148 0.000 2.533 206 I HA -0.012 4.157 4.170 -0.001 0.000 0.284 206 I C 0.947 177.049 176.117 -0.026 0.000 1.109 206 I CA -0.068 61.229 61.300 -0.004 0.000 1.412 206 I CB 0.312 38.303 38.000 -0.014 0.000 1.396 206 I HN 0.597 nan 8.210 nan 0.000 0.543 207 I N 4.641 125.192 120.570 -0.033 0.000 2.364 207 I HA 0.124 4.293 4.170 -0.001 0.000 0.241 207 I C 1.261 177.352 176.117 -0.045 0.000 1.082 207 I CA 0.481 61.752 61.300 -0.049 0.000 1.401 207 I CB -0.105 37.836 38.000 -0.097 0.000 1.126 207 I HN 0.636 nan 8.210 nan 0.000 0.429 208 G N 0.170 108.931 108.800 -0.064 0.000 2.542 208 G HA2 0.470 4.429 3.960 -0.001 0.000 0.311 208 G HA3 0.470 4.429 3.960 -0.001 0.000 0.311 208 G C -1.269 173.621 174.900 -0.016 0.000 1.298 208 G CA -0.472 44.610 45.100 -0.031 0.000 0.973 208 G HN 0.085 nan 8.290 nan 0.000 0.487 209 N N -0.513 118.193 118.700 0.010 0.000 2.408 209 N HA 0.690 5.429 4.740 -0.001 0.000 0.260 209 N C 0.083 175.612 175.510 0.032 0.000 1.242 209 N CA 0.138 53.198 53.050 0.017 0.000 0.959 209 N CB 1.544 40.045 38.487 0.023 0.000 1.201 209 N HN 0.810 nan 8.380 nan 0.000 0.511 210 A N 0.120 122.958 122.820 0.030 0.000 2.587 210 A HA 0.647 4.966 4.320 -0.001 0.000 0.293 210 A C -2.785 174.816 177.584 0.027 0.000 1.087 210 A CA -1.246 50.816 52.037 0.041 0.000 0.692 210 A CB 0.785 19.819 19.000 0.055 0.000 1.291 210 A HN 0.426 nan 8.150 nan 0.000 0.407 211 P HA 0.338 nan 4.420 nan 0.000 0.269 211 P C -2.592 174.715 177.300 0.012 0.000 1.215 211 P CA -0.833 62.279 63.100 0.020 0.000 0.780 211 P CB -0.359 31.354 31.700 0.021 0.000 0.898 212 P HA -0.006 nan 4.420 nan 0.000 0.260 212 P C 1.025 178.327 177.300 0.003 0.000 1.172 212 P CA 1.666 64.769 63.100 0.005 0.000 0.760 212 P CB -0.164 31.539 31.700 0.006 0.000 0.773 213 G N 2.612 111.412 108.800 -0.000 0.000 2.176 213 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.253 213 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.253 213 G C 0.822 175.715 174.900 -0.011 0.000 0.979 213 G CA 0.260 45.356 45.100 -0.006 0.000 0.641 213 G HN 0.926 nan 8.290 nan 0.000 0.530 214 G N 0.150 108.947 108.800 -0.004 0.000 2.660 214 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.321 214 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.321 214 G C 1.225 176.118 174.900 -0.011 0.000 1.246 214 G CA 1.607 46.706 45.100 -0.002 0.000 1.000 214 G HN 1.245 nan 8.290 nan 0.000 0.550 215 I N 1.894 122.448 120.570 -0.025 0.000 2.400 215 I HA 0.080 4.249 4.170 -0.001 0.000 0.248 215 I C 2.395 178.493 176.117 -0.033 0.000 1.109 215 I CA 1.648 62.926 61.300 -0.037 0.000 1.425 215 I CB -0.502 37.468 38.000 -0.051 0.000 1.094 215 I HN 0.611 nan 8.210 nan 0.000 0.425 216 D N 1.024 121.403 120.400 -0.034 0.000 2.411 216 D HA -0.217 4.423 4.640 -0.001 0.000 0.226 216 D C 1.233 177.521 176.300 -0.020 0.000 0.988 216 D CA 1.038 55.020 54.000 -0.031 0.000 0.938 216 D CB -0.622 40.156 40.800 -0.037 0.000 0.883 216 D HN 0.506 nan 8.370 nan 0.000 0.525 217 N N -0.477 118.214 118.700 -0.015 0.000 2.210 217 N HA -0.015 4.724 4.740 -0.001 0.000 0.203 217 N C 1.296 176.803 175.510 -0.004 0.000 1.175 217 N CA 0.015 53.060 53.050 -0.008 0.000 0.894 217 N CB -0.230 38.254 38.487 -0.005 0.000 1.041 217 N HN 0.167 nan 8.380 nan 0.000 0.506 218 V N 1.143 121.053 119.914 -0.007 0.000 2.307 218 V HA 0.024 4.143 4.120 -0.001 0.000 0.245 218 V C 1.026 177.118 176.094 -0.004 0.000 1.045 218 V CA 1.143 63.441 62.300 -0.003 0.000 1.024 218 V CB -0.317 31.502 31.823 -0.007 0.000 0.651 218 V HN 0.253 nan 8.190 nan 0.000 0.449 219 L N 3.092 124.307 121.223 -0.013 0.000 2.397 219 L HA 0.309 4.648 4.340 -0.001 0.000 0.263 219 L C 0.213 177.077 176.870 -0.010 0.000 1.136 219 L CA -0.337 54.497 54.840 -0.010 0.000 1.019 219 L CB -0.279 41.769 42.059 -0.018 0.000 1.352 219 L HN 0.440 nan 8.230 nan 0.000 0.420 220 N N 1.041 119.738 118.700 -0.005 0.000 2.434 220 N HA 0.084 4.824 4.740 -0.001 0.000 0.266 220 N C 0.568 176.075 175.510 -0.005 0.000 1.223 220 N CA -0.458 52.588 53.050 -0.006 0.000 0.972 220 N CB 1.020 39.506 38.487 -0.003 0.000 1.207 220 N HN 0.340 nan 8.380 nan 0.000 0.525 221 E N -0.212 119.984 120.200 -0.006 0.000 2.147 221 E HA -0.234 4.115 4.350 -0.001 0.000 0.199 221 E C 0.443 177.041 176.600 -0.002 0.000 1.005 221 E CA 1.312 57.709 56.400 -0.005 0.000 0.810 221 E CB 0.029 29.725 29.700 -0.006 0.000 0.736 221 E HN 0.708 nan 8.360 nan 0.000 0.460 222 E N 0.135 120.335 120.200 -0.001 0.000 2.394 222 E HA 0.180 4.529 4.350 -0.001 0.000 0.191 222 E C -0.714 175.888 176.600 0.004 0.000 1.044 222 E CA -0.456 55.945 56.400 0.002 0.000 0.939 222 E CB 0.332 30.034 29.700 0.002 0.000 1.089 222 E HN 0.118 nan 8.360 nan 0.000 0.456 223 A N 1.149 123.971 122.820 0.004 0.000 2.450 223 A HA 0.220 4.539 4.320 -0.001 0.000 0.255 223 A C 0.586 178.175 177.584 0.009 0.000 1.096 223 A CA -0.195 51.846 52.037 0.007 0.000 0.778 223 A CB 0.422 19.426 19.000 0.007 0.000 1.031 223 A HN 0.344 nan 8.150 nan 0.000 0.494 224 S N 1.913 117.621 115.700 0.013 0.000 2.617 224 S HA 0.225 4.695 4.470 -0.001 0.000 0.259 224 S C 1.155 175.764 174.600 0.015 0.000 1.301 224 S CA -0.045 58.163 58.200 0.014 0.000 0.984 224 S CB 0.711 63.921 63.200 0.018 0.000 0.954 224 S HN 0.717 nan 8.310 nan 0.000 0.572 225 V N 1.089 121.010 119.914 0.012 0.000 2.343 225 V HA -0.140 3.980 4.120 -0.001 0.000 0.247 225 V C 2.311 178.426 176.094 0.035 0.000 1.051 225 V CA 2.265 64.570 62.300 0.009 0.000 1.036 225 V CB -0.973 30.841 31.823 -0.014 0.000 0.654 225 V HN 0.854 nan 8.190 nan 0.000 0.451 226 D N -0.338 120.089 120.400 0.044 0.000 2.144 226 D HA -0.161 4.478 4.640 -0.001 0.000 0.200 226 D C 2.204 178.536 176.300 0.053 0.000 0.978 226 D CA 1.279 55.316 54.000 0.061 0.000 0.833 226 D CB -0.099 40.736 40.800 0.058 0.000 0.961 226 D HN 0.409 nan 8.370 nan 0.000 0.470 227 K N -0.115 120.310 120.400 0.041 0.000 2.097 227 K HA -0.061 4.258 4.320 -0.001 0.000 0.205 227 K C 2.029 178.657 176.600 0.046 0.000 1.050 227 K CA 0.820 57.131 56.287 0.040 0.000 0.938 227 K CB 0.099 32.616 32.500 0.029 0.000 0.718 227 K HN -0.015 nan 8.250 nan 0.000 0.442 228 M N 0.543 120.168 119.600 0.042 0.000 2.200 228 M HA -0.101 4.378 4.480 -0.001 0.000 0.265 228 M C 2.111 178.454 176.300 0.072 0.000 1.066 228 M CA 1.292 56.618 55.300 0.043 0.000 1.127 228 M CB -0.487 32.131 32.600 0.029 0.000 1.379 228 M HN 0.205 nan 8.290 nan 0.000 0.420 229 L N -0.186 121.086 121.223 0.081 0.000 2.056 229 L HA -0.209 4.130 4.340 -0.001 0.000 0.207 229 L C 2.016 178.955 176.870 0.114 0.000 1.078 229 L CA 0.928 55.835 54.840 0.111 0.000 0.749 229 L CB -0.745 41.387 42.059 0.122 0.000 0.901 229 L HN 0.226 nan 8.230 nan 0.000 0.433 230 D N 0.146 120.597 120.400 0.085 0.000 2.178 230 D HA -0.131 4.508 4.640 -0.001 0.000 0.201 230 D C 1.096 177.475 176.300 0.131 0.000 0.980 230 D CA 1.096 55.139 54.000 0.072 0.000 0.842 230 D CB -0.109 40.723 40.800 0.053 0.000 0.948 230 D HN 0.291 nan 8.370 nan 0.000 0.472 231 N N 0.312 119.104 118.700 0.153 0.000 2.538 231 N HA 0.072 4.811 4.740 -0.001 0.000 0.291 231 N C 1.105 176.721 175.510 0.177 0.000 1.323 231 N CA -0.090 53.083 53.050 0.205 0.000 0.934 231 N CB 0.940 39.465 38.487 0.064 0.000 1.255 231 N HN 0.088 nan 8.380 nan 0.000 0.509 232 R N 0.951 121.626 120.500 0.293 0.000 2.120 232 R HA -0.138 4.201 4.340 -0.001 0.000 0.234 232 R C 2.262 178.758 176.300 0.328 0.000 1.123 232 R CA 1.429 57.700 56.100 0.284 0.000 0.975 232 R CB -0.122 30.395 30.300 0.363 0.000 0.866 232 R HN 0.399 nan 8.270 nan 0.000 0.446 233 H N -0.097 119.143 119.070 0.283 0.000 2.422 233 H HA -0.134 4.421 4.556 -0.001 0.000 0.298 233 H C 1.684 177.072 175.328 0.099 0.000 1.098 233 H CA 1.556 57.744 56.048 0.233 0.000 1.315 233 H CB -0.508 29.339 29.762 0.141 0.000 1.382 233 H HN 0.320 nan 8.280 nan 0.000 0.523 234 L N 0.294 121.279 121.223 -0.397 0.000 2.249 234 L HA -0.001 4.338 4.340 -0.001 0.000 0.207 234 L C 2.875 179.685 176.870 -0.100 0.000 1.090 234 L CA 0.336 55.015 54.840 -0.268 0.000 0.802 234 L CB -0.241 41.620 42.059 -0.331 0.000 0.947 234 L HN 0.020 nan 8.230 nan 0.000 0.453 235 V N 1.723 121.606 119.914 -0.051 0.000 2.332 235 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 235 V C 2.388 178.482 176.094 0.000 0.000 1.055 235 V CA 2.282 64.577 62.300 -0.009 0.000 1.038 235 V CB -0.536 31.297 31.823 0.016 0.000 0.651 235 V HN 0.547 nan 8.190 nan 0.000 0.450 236 I N -1.502 119.067 120.570 -0.001 0.000 2.916 236 I HA -0.125 4.045 4.170 -0.001 0.000 0.267 236 I C 2.282 178.391 176.117 -0.013 0.000 1.263 236 I CA 1.284 62.575 61.300 -0.015 0.000 1.471 236 I CB -0.553 37.420 38.000 -0.044 0.000 1.089 236 I HN 0.132 nan 8.210 nan 0.000 0.468 237 R N 1.972 122.464 120.500 -0.013 0.000 2.276 237 R HA 0.161 4.500 4.340 -0.001 0.000 0.203 237 R C 1.310 177.687 176.300 0.128 0.000 1.017 237 R CA 0.456 56.559 56.100 0.005 0.000 1.010 237 R CB -0.235 30.044 30.300 -0.036 0.000 0.900 237 R HN 0.512 nan 8.270 nan 0.000 0.469 238 G N 0.643 109.506 108.800 0.105 0.000 2.442 238 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.249 238 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.249 238 G C 0.326 175.325 174.900 0.165 0.000 1.263 238 G CA -0.416 44.777 45.100 0.155 0.000 0.846 238 G HN 0.189 nan 8.290 nan 0.000 0.555 239 E N 1.328 121.650 120.200 0.204 0.000 2.085 239 E HA -0.199 4.150 4.350 -0.001 0.000 0.194 239 E C 1.842 178.504 176.600 0.104 0.000 0.994 239 E CA 1.525 58.001 56.400 0.126 0.000 0.801 239 E CB 0.103 29.805 29.700 0.004 0.000 0.743 239 E HN 0.536 nan 8.360 nan 0.000 0.453 240 N N 0.145 118.905 118.700 0.101 0.000 2.250 240 N HA -0.053 4.686 4.740 -0.001 0.000 0.181 240 N C 1.544 177.089 175.510 0.058 0.000 1.017 240 N CA 1.112 54.223 53.050 0.102 0.000 0.866 240 N CB -0.424 38.106 38.487 0.071 0.000 0.985 240 N HN 0.205 nan 8.380 nan 0.000 0.429 241 A N 1.159 124.004 122.820 0.042 0.000 1.877 241 A HA -0.011 4.308 4.320 -0.001 0.000 0.216 241 A C 2.351 179.944 177.584 0.015 0.000 1.186 241 A CA 1.996 54.045 52.037 0.020 0.000 0.620 241 A CB -0.929 18.078 19.000 0.013 0.000 0.822 241 A HN 0.297 nan 8.150 nan 0.000 0.443 242 A N -0.073 122.765 122.820 0.029 0.000 1.883 242 A HA 0.109 4.429 4.320 -0.001 0.000 0.217 242 A C 2.549 180.149 177.584 0.026 0.000 1.186 242 A CA 2.359 54.408 52.037 0.019 0.000 0.624 242 A CB -1.186 17.834 19.000 0.034 0.000 0.822 242 A HN 1.165 nan 8.150 nan 0.000 0.444 243 A N -0.439 122.413 122.820 0.055 0.000 1.917 243 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 243 A C 2.227 179.832 177.584 0.035 0.000 1.182 243 A CA 1.693 53.768 52.037 0.063 0.000 0.633 243 A CB -0.670 18.411 19.000 0.136 0.000 0.819 243 A HN 0.495 nan 8.150 nan 0.000 0.448 244 L N -0.798 120.438 121.223 0.021 0.000 2.046 244 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 244 L C 2.597 179.465 176.870 -0.002 0.000 1.077 244 L CA 1.201 56.040 54.840 -0.002 0.000 0.747 244 L CB -0.402 41.651 42.059 -0.009 0.000 0.896 244 L HN 0.418 nan 8.230 nan 0.000 0.432 245 L N -0.862 120.357 121.223 -0.006 0.000 2.042 245 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 245 L C 2.764 179.633 176.870 -0.003 0.000 1.076 245 L CA 1.366 56.198 54.840 -0.013 0.000 0.749 245 L CB -0.527 41.513 42.059 -0.033 0.000 0.893 245 L HN 0.209 nan 8.230 nan 0.000 0.432 246 R N -0.512 119.988 120.500 -0.000 0.000 2.081 246 R HA -0.166 4.174 4.340 -0.001 0.000 0.235 246 R C 2.195 178.500 176.300 0.008 0.000 1.131 246 R CA 1.104 57.206 56.100 0.003 0.000 0.960 246 R CB -0.482 29.821 30.300 0.004 0.000 0.856 246 R HN 0.174 nan 8.270 nan 0.000 0.436 247 L N 1.320 122.546 121.223 0.004 0.000 2.093 247 L HA -0.114 4.226 4.340 -0.001 0.000 0.208 247 L C 2.365 179.245 176.870 0.017 0.000 1.085 247 L CA 1.637 56.475 54.840 -0.003 0.000 0.755 247 L CB -0.473 41.568 42.059 -0.030 0.000 0.904 247 L HN 0.009 nan 8.230 nan 0.000 0.435 248 R N -0.510 120.005 120.500 0.025 0.000 2.081 248 R HA -0.138 4.201 4.340 -0.001 0.000 0.235 248 R C 2.170 178.504 176.300 0.058 0.000 1.131 248 R CA 1.460 57.592 56.100 0.053 0.000 0.960 248 R CB -0.403 29.925 30.300 0.047 0.000 0.856 248 R HN 0.436 nan 8.270 nan 0.000 0.436 249 A N 0.619 123.462 122.820 0.038 0.000 1.933 249 A HA -0.100 4.219 4.320 -0.001 0.000 0.218 249 A C 2.345 179.953 177.584 0.040 0.000 1.175 249 A CA 1.691 53.750 52.037 0.037 0.000 0.628 249 A CB -0.761 18.252 19.000 0.023 0.000 0.814 249 A HN 0.571 nan 8.150 nan 0.000 0.444 250 A N -0.175 122.666 122.820 0.035 0.000 1.873 250 A HA 0.215 4.534 4.320 -0.001 0.000 0.215 250 A C 2.520 180.133 177.584 0.049 0.000 1.186 250 A CA 1.946 54.004 52.037 0.033 0.000 0.616 250 A CB -1.046 17.966 19.000 0.021 0.000 0.823 250 A HN 1.036 nan 8.150 nan 0.000 0.442 251 A N -0.834 122.028 122.820 0.070 0.000 1.902 251 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 251 A C 2.306 179.936 177.584 0.078 0.000 1.181 251 A CA 2.369 54.474 52.037 0.113 0.000 0.623 251 A CB -1.333 17.795 19.000 0.213 0.000 0.818 251 A HN 0.435 nan 8.150 nan 0.000 0.443 252 T N -0.709 113.892 114.554 0.079 0.000 2.746 252 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 252 T C 2.058 176.799 174.700 0.069 0.000 1.039 252 T CA 1.601 63.747 62.100 0.076 0.000 1.142 252 T CB -0.245 68.673 68.868 0.084 0.000 0.866 252 T HN 0.614 nan 8.240 nan 0.000 0.444 253 R N 1.081 121.616 120.500 0.058 0.000 2.081 253 R HA -0.028 4.312 4.340 -0.001 0.000 0.235 253 R C 2.563 178.887 176.300 0.041 0.000 1.131 253 R CA 1.456 57.587 56.100 0.051 0.000 0.960 253 R CB -0.478 29.845 30.300 0.039 0.000 0.856 253 R HN 0.358 nan 8.270 nan 0.000 0.436 254 A N 0.916 123.754 122.820 0.030 0.000 1.933 254 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 254 A C 2.228 179.798 177.584 -0.025 0.000 1.175 254 A CA 1.600 53.646 52.037 0.014 0.000 0.628 254 A CB -0.422 18.591 19.000 0.022 0.000 0.814 254 A HN 0.385 nan 8.150 nan 0.000 0.444 255 M N -1.066 118.502 119.600 -0.053 0.000 2.117 255 M HA -0.148 4.331 4.480 -0.001 0.000 0.262 255 M C 2.365 178.623 176.300 -0.069 0.000 1.065 255 M CA 1.469 56.691 55.300 -0.130 0.000 1.114 255 M CB -0.450 32.094 32.600 -0.092 0.000 1.361 255 M HN 0.352 nan 8.290 nan 0.000 0.408 256 R N 0.232 120.761 120.500 0.048 0.000 2.096 256 R HA -0.124 4.216 4.340 -0.001 0.000 0.235 256 R C 2.062 178.409 176.300 0.079 0.000 1.127 256 R CA 1.061 57.216 56.100 0.092 0.000 0.968 256 R CB -0.363 30.042 30.300 0.174 0.000 0.861 256 R HN 0.389 nan 8.270 nan 0.000 0.440 257 E N -0.101 120.136 120.200 0.063 0.000 2.106 257 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 257 E C 1.794 178.430 176.600 0.061 0.000 0.984 257 E CA 1.168 57.627 56.400 0.097 0.000 0.806 257 E CB -0.423 29.320 29.700 0.072 0.000 0.750 257 E HN 0.467 nan 8.360 nan 0.000 0.458 258 H N 0.195 119.177 119.070 -0.147 0.000 2.290 258 H HA -0.119 4.436 4.556 -0.001 0.000 0.298 258 H C 1.900 177.051 175.328 -0.295 0.000 1.087 258 H CA 1.973 57.850 56.048 -0.283 0.000 1.291 258 H CB -0.588 28.863 29.762 -0.518 0.000 1.369 258 H HN 0.110 nan 8.280 nan 0.000 0.492 259 F N -1.152 118.522 119.950 -0.459 0.000 2.146 259 F HA -0.169 4.357 4.527 -0.001 0.000 0.298 259 F C 2.409 178.083 175.800 -0.209 0.000 1.096 259 F CA 1.107 58.724 58.000 -0.638 0.000 1.275 259 F CB -0.529 37.772 39.000 -1.166 0.000 1.008 259 F HN 0.225 nan 8.300 nan 0.000 0.480 260 Y N 1.338 121.644 120.300 0.009 0.000 2.114 260 Y HA -0.300 4.249 4.550 -0.001 0.000 0.284 260 Y C 1.966 177.891 175.900 0.041 0.000 1.143 260 Y CA 2.180 60.328 58.100 0.080 0.000 1.135 260 Y CB -0.673 37.833 38.460 0.076 0.000 0.980 260 Y HN -0.005 nan 8.280 nan 0.000 0.499 261 N N -0.029 118.605 118.700 -0.111 0.000 2.331 261 N HA -0.070 4.669 4.740 -0.001 0.000 0.180 261 N C 1.468 176.880 175.510 -0.163 0.000 1.019 261 N CA 0.870 53.812 53.050 -0.181 0.000 0.881 261 N CB -0.211 38.255 38.487 -0.036 0.000 0.972 261 N HN 0.426 nan 8.380 nan 0.000 0.435 262 A N 0.001 122.727 122.820 -0.157 0.000 2.238 262 A HA 0.401 4.721 4.320 -0.001 0.000 0.208 262 A C 1.503 179.149 177.584 0.103 0.000 1.177 262 A CA 0.594 52.605 52.037 -0.044 0.000 0.804 262 A CB -0.473 18.444 19.000 -0.138 0.000 0.823 262 A HN 0.295 nan 8.150 nan 0.000 0.482 263 G N -2.269 106.550 108.800 0.033 0.000 2.132 263 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.234 263 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.234 263 G C -0.069 174.884 174.900 0.089 0.000 0.989 263 G CA 0.213 45.313 45.100 0.000 0.000 0.676 263 G HN 0.378 nan 8.290 nan 0.000 0.522 264 Y N -0.623 119.710 120.300 0.055 0.000 2.314 264 Y HA 0.505 5.054 4.550 -0.001 0.000 0.334 264 Y C 0.976 176.992 175.900 0.193 0.000 1.266 264 Y CA -0.537 57.648 58.100 0.142 0.000 1.391 264 Y CB 1.311 39.904 38.460 0.222 0.000 1.306 264 Y HN 0.062 nan 8.280 nan 0.000 0.558 265 V N 2.344 122.426 119.914 0.279 0.000 2.435 265 V HA 0.183 4.303 4.120 -0.001 0.000 0.290 265 V C -0.124 176.008 176.094 0.063 0.000 1.030 265 V CA -1.298 61.102 62.300 0.167 0.000 0.881 265 V CB 1.415 33.268 31.823 0.050 0.000 0.983 265 V HN 0.708 nan 8.190 nan 0.000 0.445 266 E N 3.420 123.594 120.200 -0.043 0.000 2.344 266 E HA 0.410 4.760 4.350 -0.001 0.000 0.270 266 E C -1.223 175.158 176.600 -0.366 0.000 1.021 266 E CA -0.189 55.879 56.400 -0.553 0.000 0.887 266 E CB 1.323 30.748 29.700 -0.458 0.000 0.997 266 E HN 0.475 nan 8.360 nan 0.000 0.429 267 V N 2.830 122.475 119.914 -0.449 0.000 2.769 267 V HA 0.565 4.684 4.120 -0.001 0.000 0.312 267 V C -0.450 175.486 176.094 -0.264 0.000 1.061 267 V CA -0.646 61.487 62.300 -0.277 0.000 0.931 267 V CB 1.793 33.487 31.823 -0.216 0.000 1.010 267 V HN 0.795 nan 8.190 nan 0.000 0.433 268 A N 5.458 128.161 122.820 -0.196 0.000 2.654 268 A HA 0.759 5.078 4.320 -0.001 0.000 0.345 268 A C -1.968 175.507 177.584 -0.182 0.000 1.368 268 A CA -1.157 50.778 52.037 -0.170 0.000 0.895 268 A CB -0.184 18.735 19.000 -0.135 0.000 1.143 268 A HN 0.649 nan 8.150 nan 0.000 0.490 269 P HA 0.512 nan 4.420 nan 0.000 0.279 269 P C -2.777 174.356 177.300 -0.279 0.000 1.252 269 P CA -1.186 61.753 63.100 -0.268 0.000 0.811 269 P CB 0.384 31.990 31.700 -0.157 0.000 1.035 270 P HA 0.122 nan 4.420 nan 0.000 0.274 270 P C 0.461 177.670 177.300 -0.153 0.000 1.231 270 P CA -0.106 62.805 63.100 -0.315 0.000 0.790 270 P CB 0.485 31.911 31.700 -0.457 0.000 0.951 271 T N -2.118 112.404 114.554 -0.053 0.000 3.023 271 T HA 0.239 4.588 4.350 -0.001 0.000 0.253 271 T C 0.661 175.374 174.700 0.022 0.000 1.038 271 T CA -0.066 62.070 62.100 0.060 0.000 0.962 271 T CB -0.136 68.814 68.868 0.137 0.000 1.018 271 T HN 0.193 nan 8.240 nan 0.000 0.521 272 L N 3.258 124.445 121.223 -0.060 0.000 2.265 272 L HA 0.763 5.102 4.340 -0.001 0.000 0.289 272 L C -0.283 176.516 176.870 -0.119 0.000 1.033 272 L CA -1.112 53.654 54.840 -0.124 0.000 0.814 272 L CB 1.524 43.444 42.059 -0.232 0.000 1.203 272 L HN 0.159 nan 8.230 nan 0.000 0.423 273 V N 0.847 120.747 119.914 -0.024 0.000 3.160 273 V HA 0.470 4.590 4.120 -0.001 0.000 0.310 273 V C -0.324 175.801 176.094 0.051 0.000 1.181 273 V CA -0.658 61.687 62.300 0.075 0.000 1.047 273 V CB 2.283 34.253 31.823 0.244 0.000 1.068 273 V HN 0.781 nan 8.190 nan 0.000 0.441 274 Q N 0.699 120.558 119.800 0.098 0.000 2.135 274 Q HA 0.311 4.650 4.340 -0.001 0.000 0.222 274 Q C -0.063 176.053 176.000 0.194 0.000 0.808 274 Q CA 0.240 56.081 55.803 0.064 0.000 1.049 274 Q CB 1.193 29.927 28.738 -0.006 0.000 1.168 274 Q HN 1.019 nan 8.270 nan 0.000 0.483 275 T N -2.595 112.091 114.554 0.221 0.000 2.893 275 T HA 0.420 4.769 4.350 -0.001 0.000 0.291 275 T C -0.681 174.125 174.700 0.177 0.000 1.028 275 T CA -0.835 61.269 62.100 0.007 0.000 0.995 275 T CB 2.528 71.218 68.868 -0.297 0.000 1.051 275 T HN 0.036 nan 8.240 nan 0.000 0.470 276 Q N 1.435 121.359 119.800 0.207 0.000 2.245 276 Q HA 0.566 4.905 4.340 -0.001 0.000 0.256 276 Q C -0.720 175.468 176.000 0.313 0.000 0.942 276 Q CA -0.867 55.021 55.803 0.143 0.000 0.896 276 Q CB 1.710 30.467 28.738 0.031 0.000 1.272 276 Q HN 0.611 nan 8.270 nan 0.000 0.442 277 V N 2.070 122.137 119.914 0.255 0.000 3.359 277 V HA 0.151 4.270 4.120 -0.001 0.000 0.245 277 V C 0.055 176.355 176.094 0.344 0.000 1.247 277 V CA 0.340 62.830 62.300 0.316 0.000 1.145 277 V CB 0.725 32.649 31.823 0.169 0.000 0.906 277 V HN 0.735 nan 8.190 nan 0.000 0.464 278 E N 1.111 121.447 120.200 0.227 0.000 4.017 278 E HA 0.487 4.836 4.350 -0.001 0.000 0.205 278 E C 0.318 176.972 176.600 0.091 0.000 1.054 278 E CA 0.571 57.074 56.400 0.172 0.000 1.398 278 E CB 0.943 30.741 29.700 0.163 0.000 1.164 278 E HN 0.494 nan 8.360 nan 0.000 0.445 279 G N -0.558 108.291 108.800 0.082 0.000 2.719 279 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.686 279 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.686 279 G C 0.682 175.560 174.900 -0.036 0.000 1.201 279 G CA -0.460 44.650 45.100 0.016 0.000 0.768 279 G HN 0.298 nan 8.290 nan 0.000 0.629 280 G N -0.300 108.462 108.800 -0.063 0.000 2.572 280 G HA2 0.206 4.165 3.960 -0.001 0.000 0.216 280 G HA3 0.206 4.165 3.960 -0.001 0.000 0.216 280 G C 1.981 176.816 174.900 -0.109 0.000 1.133 280 G CA 1.632 46.663 45.100 -0.115 0.000 0.791 280 G HN 1.776 nan 8.290 nan 0.000 0.538 281 S N 0.743 116.396 115.700 -0.078 0.000 2.442 281 S HA -0.099 4.370 4.470 -0.001 0.000 0.236 281 S C 2.055 176.589 174.600 -0.110 0.000 1.007 281 S CA 2.009 60.162 58.200 -0.077 0.000 0.965 281 S CB -0.244 62.921 63.200 -0.058 0.000 0.773 281 S HN 0.477 nan 8.310 nan 0.000 0.504 282 T N -0.577 113.904 114.554 -0.122 0.000 3.266 282 T HA 0.453 4.802 4.350 -0.001 0.000 0.278 282 T C 0.009 174.575 174.700 -0.224 0.000 1.010 282 T CA -0.484 61.515 62.100 -0.168 0.000 0.909 282 T CB -0.228 68.585 68.868 -0.092 0.000 1.122 282 T HN 0.187 nan 8.240 nan 0.000 0.536 283 L N 2.038 123.130 121.223 -0.218 0.000 2.290 283 L HA 0.488 4.828 4.340 -0.001 0.000 0.284 283 L C -0.458 176.331 176.870 -0.136 0.000 1.078 283 L CA -1.050 53.673 54.840 -0.195 0.000 0.815 283 L CB 0.784 42.615 42.059 -0.381 0.000 1.162 283 L HN 0.285 nan 8.230 nan 0.000 0.435 284 F N 3.196 123.210 119.950 0.107 0.000 2.445 284 F HA 0.165 4.691 4.527 -0.001 0.000 0.359 284 F C 0.908 176.846 175.800 0.230 0.000 1.101 284 F CA -0.493 57.584 58.000 0.128 0.000 1.177 284 F CB 0.504 39.557 39.000 0.089 0.000 1.110 284 F HN 0.512 nan 8.300 nan 0.000 0.522 285 N N 4.298 123.246 118.700 0.414 0.000 2.529 285 N HA 0.396 5.135 4.740 -0.001 0.000 0.278 285 N C -1.212 174.411 175.510 0.189 0.000 1.146 285 N CA -0.440 52.828 53.050 0.362 0.000 0.980 285 N CB 2.218 40.867 38.487 0.269 0.000 1.124 285 N HN 0.393 nan 8.380 nan 0.000 0.458 286 L N 1.341 122.609 121.223 0.076 0.000 2.438 286 L HA 0.300 4.639 4.340 -0.001 0.000 0.270 286 L C -0.910 175.949 176.870 -0.018 0.000 0.972 286 L CA -0.726 54.120 54.840 0.011 0.000 0.831 286 L CB 1.737 43.787 42.059 -0.014 0.000 1.273 286 L HN 0.363 nan 8.230 nan 0.000 0.405 287 D N 3.070 123.456 120.400 -0.023 0.000 2.338 287 D HA 0.069 4.709 4.640 -0.001 0.000 0.255 287 D C -1.375 174.894 176.300 -0.052 0.000 1.237 287 D CA 0.491 54.472 54.000 -0.032 0.000 0.883 287 D CB 0.254 41.025 40.800 -0.048 0.000 1.087 287 D HN 0.456 nan 8.370 nan 0.000 0.485 288 Y N 5.603 125.812 120.300 -0.152 0.000 2.944 288 Y HA 0.258 4.807 4.550 -0.001 0.000 0.335 288 Y C -0.296 175.586 175.900 -0.029 0.000 1.075 288 Y CA -1.129 56.858 58.100 -0.188 0.000 1.240 288 Y CB -0.703 37.715 38.460 -0.070 0.000 1.167 288 Y HN 0.429 nan 8.280 nan 0.000 0.555 289 F N 2.967 122.774 119.950 -0.239 0.000 3.067 289 F HA -0.284 4.242 4.527 -0.001 0.000 0.279 289 F C 1.486 177.228 175.800 -0.097 0.000 0.945 289 F CA 1.158 59.031 58.000 -0.212 0.000 0.948 289 F CB -1.389 37.413 39.000 -0.330 0.000 0.898 289 F HN 0.722 nan 8.300 nan 0.000 0.746 290 G N -1.245 107.586 108.800 0.053 0.000 2.234 290 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.235 290 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.235 290 G C 0.081 175.015 174.900 0.057 0.000 0.997 290 G CA 0.098 45.228 45.100 0.049 0.000 0.623 290 G HN 0.515 nan 8.290 nan 0.000 0.514 291 E N 1.647 121.906 120.200 0.099 0.000 2.249 291 E HA 0.402 4.752 4.350 -0.001 0.000 0.280 291 E C 0.426 177.048 176.600 0.037 0.000 1.016 291 E CA -0.498 55.954 56.400 0.088 0.000 0.830 291 E CB 0.565 30.362 29.700 0.161 0.000 1.081 291 E HN 0.664 nan 8.360 nan 0.000 0.395 292 Q N 1.308 121.086 119.800 -0.037 0.000 2.286 292 Q HA 0.308 4.647 4.340 -0.001 0.000 0.267 292 Q C -0.468 175.344 176.000 -0.314 0.000 1.028 292 Q CA 0.052 55.770 55.803 -0.142 0.000 0.901 292 Q CB 0.830 29.488 28.738 -0.133 0.000 1.183 292 Q HN 0.214 nan 8.270 nan 0.000 0.392 293 S N 1.787 117.259 115.700 -0.380 0.000 2.740 293 S HA 0.773 5.242 4.470 -0.001 0.000 0.300 293 S C -1.019 173.211 174.600 -0.617 0.000 1.147 293 S CA -0.732 57.147 58.200 -0.535 0.000 0.871 293 S CB 0.879 63.895 63.200 -0.308 0.000 1.173 293 S HN 0.540 nan 8.310 nan 0.000 0.510 294 F N 0.455 120.408 119.950 0.004 0.000 2.603 294 F HA 0.552 5.078 4.527 -0.001 0.000 0.317 294 F C -0.511 175.302 175.800 0.021 0.000 1.066 294 F CA -1.182 56.845 58.000 0.044 0.000 0.941 294 F CB 0.944 39.989 39.000 0.074 0.000 1.291 294 F HN 0.191 nan 8.300 nan 0.000 0.472 295 L N 1.244 122.622 121.223 0.257 0.000 2.349 295 L HA 0.264 4.604 4.340 -0.001 0.000 0.275 295 L C 0.609 177.646 176.870 0.279 0.000 1.115 295 L CA -0.330 54.571 54.840 0.102 0.000 0.820 295 L CB 1.058 43.016 42.059 -0.168 0.000 1.135 295 L HN 0.622 nan 8.230 nan 0.000 0.445 296 T N 1.730 116.461 114.554 0.294 0.000 2.902 296 T HA -0.009 4.340 4.350 -0.001 0.000 0.301 296 T C 0.943 175.855 174.700 0.353 0.000 1.012 296 T CA 0.180 62.472 62.100 0.321 0.000 1.151 296 T CB 0.526 69.569 68.868 0.292 0.000 0.946 296 T HN 0.658 nan 8.240 nan 0.000 0.542 297 Q N 2.308 122.267 119.800 0.265 0.000 2.331 297 Q HA 0.175 4.514 4.340 -0.001 0.000 0.203 297 Q C 0.385 176.533 176.000 0.246 0.000 0.944 297 Q CA 0.119 56.065 55.803 0.239 0.000 0.892 297 Q CB 0.439 29.289 28.738 0.187 0.000 0.983 297 Q HN 0.602 nan 8.270 nan 0.000 0.482 298 S N -1.661 114.176 115.700 0.229 0.000 2.578 298 S HA 0.181 4.651 4.470 -0.001 0.000 0.285 298 S C -0.641 174.029 174.600 0.116 0.000 1.126 298 S CA -0.691 57.636 58.200 0.212 0.000 0.878 298 S CB 1.258 64.584 63.200 0.211 0.000 1.091 298 S HN -0.007 nan 8.310 nan 0.000 0.450 299 S N 3.116 118.843 115.700 0.045 0.000 2.605 299 S HA 0.058 4.528 4.470 -0.001 0.000 0.217 299 S C 1.623 176.239 174.600 0.026 0.000 0.958 299 S CA 0.196 58.454 58.200 0.097 0.000 0.919 299 S CB 0.042 63.275 63.200 0.055 0.000 0.780 299 S HN 0.711 nan 8.310 nan 0.000 0.507 300 Q N 1.820 121.581 119.800 -0.066 0.000 2.062 300 Q HA -0.204 4.135 4.340 -0.001 0.000 0.209 300 Q C 1.711 177.681 176.000 -0.051 0.000 0.996 300 Q CA 1.646 57.385 55.803 -0.106 0.000 0.859 300 Q CB -0.351 28.265 28.738 -0.203 0.000 0.920 300 Q HN 0.544 nan 8.270 nan 0.000 0.415 301 L N -0.646 120.519 121.223 -0.098 0.000 2.083 301 L HA -0.195 4.144 4.340 -0.001 0.000 0.209 301 L C 2.307 179.258 176.870 0.135 0.000 1.083 301 L CA 1.142 55.981 54.840 -0.001 0.000 0.752 301 L CB -0.694 41.242 42.059 -0.204 0.000 0.899 301 L HN 0.276 nan 8.230 nan 0.000 0.433 302 Y N -0.540 119.837 120.300 0.128 0.000 2.220 302 Y HA -0.158 4.391 4.550 -0.001 0.000 0.291 302 Y C 2.354 178.240 175.900 -0.023 0.000 1.129 302 Y CA 0.503 58.595 58.100 -0.013 0.000 1.161 302 Y CB -0.602 37.779 38.460 -0.132 0.000 0.997 302 Y HN -0.033 nan 8.280 nan 0.000 0.522 303 L N 0.576 121.861 121.223 0.103 0.000 2.021 303 L HA -0.265 4.074 4.340 -0.001 0.000 0.215 303 L C 2.155 179.024 176.870 -0.001 0.000 1.074 303 L CA 1.768 56.612 54.840 0.007 0.000 0.760 303 L CB -1.092 40.940 42.059 -0.044 0.000 0.889 303 L HN 0.302 nan 8.230 nan 0.000 0.433 304 E N -1.291 118.935 120.200 0.044 0.000 2.160 304 E HA -0.227 4.123 4.350 -0.001 0.000 0.195 304 E C 1.965 178.547 176.600 -0.030 0.000 0.991 304 E CA 1.652 58.042 56.400 -0.017 0.000 0.810 304 E CB -0.251 29.527 29.700 0.131 0.000 0.742 304 E HN 0.689 nan 8.360 nan 0.000 0.466 305 T N -1.706 112.905 114.554 0.096 0.000 2.962 305 T HA -0.099 4.250 4.350 -0.001 0.000 0.270 305 T C 2.038 176.738 174.700 -0.000 0.000 1.088 305 T CA 0.801 62.951 62.100 0.084 0.000 1.127 305 T CB -0.392 68.567 68.868 0.151 0.000 0.883 305 T HN 0.162 nan 8.240 nan 0.000 0.493 306 C N 1.382 120.666 119.300 -0.027 0.000 2.533 306 C HA 0.367 4.826 4.460 -0.001 0.000 0.272 306 C C 2.590 177.534 174.990 -0.076 0.000 1.371 306 C CA -0.423 58.564 59.018 -0.052 0.000 1.758 306 C CB -1.165 26.541 27.740 -0.058 0.000 1.972 306 C HN 0.798 nan 8.230 nan 0.000 0.522 307 I N 1.182 121.683 120.570 -0.115 0.000 2.335 307 I HA -0.056 4.113 4.170 -0.001 0.000 0.251 307 I C -1.036 175.011 176.117 -0.116 0.000 1.129 307 I CA 1.554 62.766 61.300 -0.146 0.000 1.402 307 I CB -1.939 35.919 38.000 -0.236 0.000 1.069 307 I HN 0.122 nan 8.210 nan 0.000 0.424 308 P HA -0.033 nan 4.420 nan 0.000 0.233 308 P C 1.402 178.693 177.300 -0.015 0.000 1.167 308 P CA 1.168 64.240 63.100 -0.047 0.000 0.770 308 P CB 0.170 31.853 31.700 -0.028 0.000 0.837 309 T N -2.463 112.074 114.554 -0.028 0.000 2.989 309 T HA 0.226 4.575 4.350 -0.001 0.000 0.250 309 T C 1.033 175.719 174.700 -0.023 0.000 0.981 309 T CA 0.143 62.232 62.100 -0.019 0.000 0.980 309 T CB -0.146 68.708 68.868 -0.023 0.000 1.133 309 T HN -0.105 nan 8.240 nan 0.000 0.489 310 L N 0.586 121.787 121.223 -0.037 0.000 2.731 310 L HA 0.442 4.781 4.340 -0.001 0.000 0.240 310 L C 1.616 178.457 176.870 -0.049 0.000 1.120 310 L CA 0.128 54.946 54.840 -0.037 0.000 0.913 310 L CB 0.010 42.044 42.059 -0.041 0.000 1.213 310 L HN 0.498 nan 8.230 nan 0.000 0.515 311 G N 0.830 109.595 108.800 -0.058 0.000 2.527 311 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.268 311 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.268 311 G C -0.461 174.359 174.900 -0.134 0.000 1.175 311 G CA -0.197 44.856 45.100 -0.079 0.000 0.962 311 G HN 0.253 nan 8.290 nan 0.000 0.560 312 D N 1.658 121.923 120.400 -0.226 0.000 2.434 312 D HA 0.390 5.029 4.640 -0.001 0.000 0.252 312 D C 0.867 177.029 176.300 -0.230 0.000 1.185 312 D CA 1.171 54.914 54.000 -0.428 0.000 0.886 312 D CB 1.059 41.253 40.800 -1.011 0.000 1.148 312 D HN 1.194 nan 8.370 nan 0.000 0.483 313 V N -0.087 119.813 119.914 -0.024 0.000 2.962 313 V HA 0.874 4.993 4.120 -0.001 0.000 0.313 313 V C -0.631 175.575 176.094 0.188 0.000 1.099 313 V CA -1.149 61.203 62.300 0.087 0.000 0.971 313 V CB 1.952 33.750 31.823 -0.042 0.000 1.028 313 V HN 0.412 nan 8.190 nan 0.000 0.430 314 F N 1.367 121.224 119.950 -0.155 0.000 2.643 314 F HA 0.969 5.495 4.527 -0.001 0.000 0.314 314 F C -0.504 175.120 175.800 -0.294 0.000 1.096 314 F CA -0.580 57.175 58.000 -0.407 0.000 0.953 314 F CB 1.335 39.693 39.000 -1.070 0.000 1.345 314 F HN 1.020 nan 8.300 nan 0.000 0.468 315 C N 1.152 120.177 119.300 -0.459 0.000 2.994 315 C HA 0.827 5.286 4.460 -0.001 0.000 0.305 315 C C -0.902 174.036 174.990 -0.087 0.000 1.251 315 C CA -1.133 57.607 59.018 -0.463 0.000 1.478 315 C CB 1.027 28.587 27.740 -0.300 0.000 1.922 315 C HN 0.926 nan 8.230 nan 0.000 0.472 316 I N 2.588 123.145 120.570 -0.021 0.000 2.371 316 I HA 0.643 4.812 4.170 -0.001 0.000 0.282 316 I C 0.434 176.551 176.117 -0.001 0.000 1.031 316 I CA 0.007 61.348 61.300 0.070 0.000 1.180 316 I CB 0.868 38.968 38.000 0.167 0.000 1.336 316 I HN 1.044 nan 8.210 nan 0.000 0.467 317 A N 5.543 128.350 122.820 -0.022 0.000 2.527 317 A HA 0.705 5.025 4.320 -0.001 0.000 0.293 317 A C -0.841 176.695 177.584 -0.080 0.000 1.117 317 A CA -0.728 51.283 52.037 -0.043 0.000 0.723 317 A CB 1.569 20.537 19.000 -0.054 0.000 1.313 317 A HN 0.500 nan 8.150 nan 0.000 0.411 318 Q N 0.826 120.556 119.800 -0.117 0.000 2.332 318 Q HA 0.424 4.764 4.340 -0.001 0.000 0.263 318 Q C -0.354 175.392 176.000 -0.423 0.000 0.979 318 Q CA 0.424 56.027 55.803 -0.333 0.000 0.885 318 Q CB 1.120 29.636 28.738 -0.369 0.000 1.218 318 Q HN 0.577 nan 8.270 nan 0.000 0.405 319 S N 1.639 116.919 115.700 -0.700 0.000 2.568 319 S HA 0.668 5.137 4.470 -0.001 0.000 0.302 319 S C -1.203 173.037 174.600 -0.600 0.000 1.082 319 S CA -0.546 57.345 58.200 -0.515 0.000 1.009 319 S CB 0.743 63.678 63.200 -0.441 0.000 1.069 319 S HN 0.374 nan 8.310 nan 0.000 0.500 320 Y N 1.351 121.720 120.300 0.114 0.000 2.338 320 Y HA 0.570 5.119 4.550 -0.001 0.000 0.333 320 Y C 0.246 176.344 175.900 0.330 0.000 0.968 320 Y CA -0.955 57.324 58.100 0.297 0.000 1.123 320 Y CB 1.266 39.937 38.460 0.351 0.000 1.165 320 Y HN 0.270 nan 8.280 nan 0.000 0.452 321 R N 2.132 122.910 120.500 0.463 0.000 2.502 321 R HA 0.541 4.880 4.340 -0.001 0.000 0.300 321 R C -0.670 175.603 176.300 -0.044 0.000 0.984 321 R CA -1.056 55.152 56.100 0.180 0.000 0.882 321 R CB 1.850 32.270 30.300 0.199 0.000 1.180 321 R HN 0.791 nan 8.270 nan 0.000 0.444 322 A N 3.216 125.682 122.820 -0.591 0.000 3.077 322 A HA 0.124 4.444 4.320 -0.001 0.000 0.255 322 A C 0.132 177.563 177.584 -0.255 0.000 1.728 322 A CA -0.147 51.405 52.037 -0.809 0.000 1.383 322 A CB -0.479 17.820 19.000 -1.168 0.000 1.097 322 A HN 0.622 nan 8.150 nan 0.000 0.634 323 E N 0.394 120.546 120.200 -0.080 0.000 2.259 323 E HA 0.173 4.522 4.350 -0.001 0.000 0.281 323 E C 0.610 177.201 176.600 -0.014 0.000 1.037 323 E CA -0.078 56.284 56.400 -0.063 0.000 0.854 323 E CB 0.839 30.490 29.700 -0.081 0.000 1.051 323 E HN 0.467 nan 8.360 nan 0.000 0.409 324 K N 1.032 121.410 120.400 -0.036 0.000 2.426 324 K HA 0.035 4.354 4.320 -0.001 0.000 0.193 324 K C 0.236 176.842 176.600 0.010 0.000 1.028 324 K CA 0.097 56.385 56.287 0.001 0.000 1.047 324 K CB 0.393 32.886 32.500 -0.011 0.000 0.821 324 K HN 0.365 nan 8.250 nan 0.000 0.513 325 S N 0.544 116.231 115.700 -0.021 0.000 2.500 325 S HA 0.414 4.883 4.470 -0.001 0.000 0.301 325 S C -0.394 174.201 174.600 -0.008 0.000 1.092 325 S CA -1.102 57.087 58.200 -0.018 0.000 1.030 325 S CB 1.902 65.071 63.200 -0.052 0.000 1.031 325 S HN 0.032 nan 8.310 nan 0.000 0.483 326 R N 1.582 122.089 120.500 0.013 0.000 2.539 326 R HA 0.615 4.954 4.340 -0.001 0.000 0.275 326 R C -0.272 176.020 176.300 -0.012 0.000 1.077 326 R CA -0.143 55.948 56.100 -0.014 0.000 1.097 326 R CB 0.943 31.209 30.300 -0.056 0.000 1.018 326 R HN 0.745 nan 8.270 nan 0.000 0.483 327 T N 0.782 115.330 114.554 -0.009 0.000 2.843 327 T HA 0.243 4.592 4.350 -0.001 0.000 0.302 327 T C 0.664 175.243 174.700 -0.202 0.000 1.232 327 T CA -0.888 61.212 62.100 -0.000 0.000 1.009 327 T CB 1.881 70.904 68.868 0.260 0.000 1.254 327 T HN 0.520 nan 8.240 nan 0.000 0.504 328 R N 0.565 120.869 120.500 -0.327 0.000 2.316 328 R HA 0.020 4.360 4.340 -0.001 0.000 0.202 328 R C 1.666 177.658 176.300 -0.513 0.000 1.029 328 R CA 0.853 56.524 56.100 -0.715 0.000 1.018 328 R CB 0.030 30.071 30.300 -0.432 0.000 0.888 328 R HN 0.432 nan 8.270 nan 0.000 0.471 329 R N -1.455 118.836 120.500 -0.349 0.000 2.566 329 R HA 0.172 4.511 4.340 -0.001 0.000 0.388 329 R C -0.776 175.248 176.300 -0.461 0.000 0.989 329 R CA -0.277 55.598 56.100 -0.375 0.000 1.164 329 R CB 0.250 30.314 30.300 -0.393 0.000 1.459 329 R HN 0.148 nan 8.270 nan 0.000 0.553 330 H N 0.664 119.658 119.070 -0.127 0.000 2.547 330 H HA 0.481 5.036 4.556 -0.001 0.000 0.342 330 H C -0.809 174.533 175.328 0.024 0.000 1.048 330 H CA -0.490 55.513 56.048 -0.076 0.000 1.204 330 H CB 1.965 31.695 29.762 -0.055 0.000 1.493 330 H HN -0.045 nan 8.280 nan 0.000 0.511 331 L N 0.899 122.232 121.223 0.184 0.000 2.286 331 L HA 0.558 4.898 4.340 -0.001 0.000 0.265 331 L C 0.985 178.054 176.870 0.331 0.000 1.012 331 L CA -0.776 54.243 54.840 0.297 0.000 0.818 331 L CB 1.520 43.746 42.059 0.279 0.000 1.337 331 L HN 0.689 nan 8.230 nan 0.000 0.438 332 A N -0.020 123.026 122.820 0.377 0.000 2.095 332 A HA 0.086 4.405 4.320 -0.001 0.000 0.212 332 A C 0.506 178.364 177.584 0.456 0.000 1.162 332 A CA 0.585 52.891 52.037 0.448 0.000 0.753 332 A CB -0.062 19.237 19.000 0.497 0.000 0.840 332 A HN 0.757 nan 8.150 nan 0.000 0.468 333 E N -0.925 119.464 120.200 0.314 0.000 2.292 333 E HA 0.566 4.915 4.350 -0.001 0.000 0.272 333 E C -1.438 175.259 176.600 0.162 0.000 0.881 333 E CA -0.923 55.541 56.400 0.107 0.000 0.754 333 E CB 1.300 31.057 29.700 0.095 0.000 1.201 333 E HN 0.441 nan 8.360 nan 0.000 0.425 334 Y N 0.604 120.835 120.300 -0.114 0.000 2.638 334 Y HA 0.744 5.293 4.550 -0.001 0.000 0.335 334 Y C -1.505 174.367 175.900 -0.046 0.000 1.155 334 Y CA -1.240 56.834 58.100 -0.043 0.000 1.046 334 Y CB 0.930 39.381 38.460 -0.016 0.000 1.303 334 Y HN 0.514 nan 8.280 nan 0.000 0.460 335 A N 2.202 125.087 122.820 0.109 0.000 2.350 335 A HA 0.287 4.606 4.320 -0.001 0.000 0.293 335 A C -1.220 176.467 177.584 0.172 0.000 1.231 335 A CA -0.234 51.841 52.037 0.064 0.000 0.883 335 A CB -0.745 18.328 19.000 0.121 0.000 1.133 335 A HN 0.914 nan 8.150 nan 0.000 0.533 336 H N 2.521 121.532 119.070 -0.100 0.000 2.541 336 H HA 0.472 5.027 4.556 -0.001 0.000 0.316 336 H C -1.118 174.249 175.328 0.064 0.000 1.043 336 H CA -0.730 55.316 56.048 -0.004 0.000 1.232 336 H CB 1.073 30.702 29.762 -0.223 0.000 1.406 336 H HN 0.382 nan 8.280 nan 0.000 0.469 337 V N 6.259 126.358 119.914 0.309 0.000 2.334 337 V HA 0.169 4.288 4.120 -0.001 0.000 0.267 337 V C -0.088 176.057 176.094 0.086 0.000 1.040 337 V CA -0.234 62.189 62.300 0.204 0.000 0.866 337 V CB 0.910 32.899 31.823 0.277 0.000 1.019 337 V HN 0.826 nan 8.190 nan 0.000 0.468 338 E N 3.101 123.240 120.200 -0.102 0.000 2.248 338 E HA 0.823 5.172 4.350 -0.001 0.000 0.267 338 E C -0.600 175.799 176.600 -0.335 0.000 0.877 338 E CA -0.648 55.581 56.400 -0.285 0.000 0.759 338 E CB 2.567 32.038 29.700 -0.381 0.000 1.182 338 E HN 0.763 nan 8.360 nan 0.000 0.418 339 A N 2.628 125.125 122.820 -0.539 0.000 2.475 339 A HA 0.688 5.008 4.320 -0.001 0.000 0.301 339 A C -1.223 176.202 177.584 -0.265 0.000 1.059 339 A CA -0.592 51.204 52.037 -0.402 0.000 0.710 339 A CB 1.970 20.701 19.000 -0.449 0.000 1.288 339 A HN 0.553 nan 8.150 nan 0.000 0.408 340 E N -0.213 119.959 120.200 -0.045 0.000 2.331 340 E HA 0.671 5.020 4.350 -0.001 0.000 0.275 340 E C -1.679 174.928 176.600 0.012 0.000 0.895 340 E CA -0.211 56.181 56.400 -0.013 0.000 0.753 340 E CB 1.881 31.558 29.700 -0.039 0.000 1.216 340 E HN 0.787 nan 8.360 nan 0.000 0.434 341 C N 5.375 124.690 119.300 0.025 0.000 2.535 341 C HA 0.686 5.146 4.460 -0.001 0.000 0.319 341 C C -2.453 172.512 174.990 -0.042 0.000 1.171 341 C CA -1.348 57.657 59.018 -0.021 0.000 1.394 341 C CB 1.652 29.420 27.740 0.046 0.000 1.990 341 C HN 0.600 nan 8.230 nan 0.000 0.466 342 P HA 0.430 nan 4.420 nan 0.000 0.282 342 P C -0.541 176.691 177.300 -0.114 0.000 1.259 342 P CA 0.007 62.954 63.100 -0.256 0.000 0.826 342 P CB 0.326 31.807 31.700 -0.365 0.000 1.064 343 F N -1.710 118.206 119.950 -0.056 0.000 2.969 343 F HA -0.231 4.295 4.527 -0.001 0.000 0.273 343 F C 0.748 176.504 175.800 -0.073 0.000 0.986 343 F CA 0.743 58.689 58.000 -0.089 0.000 0.926 343 F CB -2.139 36.818 39.000 -0.070 0.000 0.887 343 F HN 0.242 nan 8.300 nan 0.000 0.816 344 I N -2.718 117.870 120.570 0.029 0.000 3.170 344 I HA 0.953 5.123 4.170 -0.001 0.000 0.312 344 I C 0.350 176.458 176.117 -0.014 0.000 1.085 344 I CA -0.555 60.763 61.300 0.029 0.000 0.999 344 I CB 2.360 40.391 38.000 0.051 0.000 1.233 344 I HN 0.041 nan 8.210 nan 0.000 0.467 345 T N -0.372 114.187 114.554 0.008 0.000 2.940 345 T HA 0.393 4.742 4.350 -0.001 0.000 0.288 345 T C 0.626 175.341 174.700 0.024 0.000 1.045 345 T CA -0.682 61.420 62.100 0.003 0.000 1.018 345 T CB 1.589 70.464 68.868 0.012 0.000 1.151 345 T HN 0.764 nan 8.240 nan 0.000 0.529 346 L N 0.850 122.089 121.223 0.028 0.000 2.042 346 L HA 0.025 4.364 4.340 -0.001 0.000 0.210 346 L C 2.105 179.000 176.870 0.041 0.000 1.076 346 L CA 2.337 57.204 54.840 0.044 0.000 0.749 346 L CB -1.174 40.912 42.059 0.045 0.000 0.893 346 L HN 0.968 nan 8.230 nan 0.000 0.432 347 D N -0.888 119.531 120.400 0.031 0.000 2.104 347 D HA -0.226 4.413 4.640 -0.001 0.000 0.194 347 D C 1.725 178.040 176.300 0.026 0.000 0.994 347 D CA 1.519 55.534 54.000 0.024 0.000 0.830 347 D CB -0.030 40.780 40.800 0.018 0.000 0.959 347 D HN 0.419 nan 8.370 nan 0.000 0.452 348 D N -0.260 120.161 120.400 0.035 0.000 2.104 348 D HA -0.164 4.475 4.640 -0.001 0.000 0.194 348 D C 2.112 178.452 176.300 0.067 0.000 0.994 348 D CA 0.553 54.582 54.000 0.047 0.000 0.830 348 D CB -0.470 40.363 40.800 0.055 0.000 0.959 348 D HN 0.240 nan 8.370 nan 0.000 0.452 349 L N 0.464 121.736 121.223 0.081 0.000 2.012 349 L HA -0.130 4.209 4.340 -0.001 0.000 0.210 349 L C 2.299 179.206 176.870 0.062 0.000 1.073 349 L CA 1.605 56.515 54.840 0.117 0.000 0.748 349 L CB -0.498 41.638 42.059 0.129 0.000 0.891 349 L HN -0.007 nan 8.230 nan 0.000 0.431 350 M N -1.201 118.419 119.600 0.032 0.000 2.229 350 M HA -0.188 4.291 4.480 -0.001 0.000 0.264 350 M C 2.104 178.371 176.300 -0.054 0.000 1.063 350 M CA 1.564 56.861 55.300 -0.006 0.000 1.114 350 M CB -0.422 32.183 32.600 0.010 0.000 1.387 350 M HN 0.340 nan 8.290 nan 0.000 0.420 351 E N 0.463 120.639 120.200 -0.039 0.000 2.077 351 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 351 E C 1.957 178.509 176.600 -0.080 0.000 0.989 351 E CA 1.085 57.443 56.400 -0.071 0.000 0.800 351 E CB -0.043 29.639 29.700 -0.032 0.000 0.746 351 E HN 0.488 nan 8.360 nan 0.000 0.452 352 K N 0.457 120.853 120.400 -0.007 0.000 2.097 352 K HA -0.115 4.204 4.320 -0.001 0.000 0.206 352 K C 2.145 178.680 176.600 -0.108 0.000 1.049 352 K CA 0.926 57.242 56.287 0.047 0.000 0.933 352 K CB -0.067 32.570 32.500 0.228 0.000 0.717 352 K HN 0.136 nan 8.250 nan 0.000 0.442 353 I N 0.904 121.330 120.570 -0.240 0.000 2.202 353 I HA -0.250 3.919 4.170 -0.001 0.000 0.242 353 I C 2.644 178.573 176.117 -0.314 0.000 1.091 353 I CA 1.194 62.238 61.300 -0.426 0.000 1.368 353 I CB -0.228 37.549 38.000 -0.371 0.000 1.058 353 I HN 0.258 nan 8.210 nan 0.000 0.410 354 E N 1.105 121.109 120.200 -0.327 0.000 2.118 354 E HA -0.318 4.031 4.350 -0.001 0.000 0.195 354 E C 2.015 178.321 176.600 -0.489 0.000 0.992 354 E CA 1.638 57.664 56.400 -0.622 0.000 0.804 354 E CB 0.062 29.217 29.700 -0.909 0.000 0.741 354 E HN 0.354 nan 8.360 nan 0.000 0.458 355 E N 0.473 120.470 120.200 -0.339 0.000 2.072 355 E HA -0.178 4.171 4.350 -0.001 0.000 0.191 355 E C 2.034 178.371 176.600 -0.437 0.000 0.985 355 E CA 0.879 57.116 56.400 -0.271 0.000 0.801 355 E CB -0.370 29.263 29.700 -0.112 0.000 0.750 355 E HN 0.313 nan 8.360 nan 0.000 0.452 356 L N -0.187 120.728 121.223 -0.512 0.000 1.989 356 L HA -0.162 4.177 4.340 -0.001 0.000 0.211 356 L C 2.254 178.809 176.870 -0.525 0.000 1.071 356 L CA 1.748 56.112 54.840 -0.793 0.000 0.749 356 L CB -0.806 40.959 42.059 -0.490 0.000 0.890 356 L HN 0.130 nan 8.230 nan 0.000 0.431 357 V N -1.010 118.742 119.914 -0.270 0.000 2.295 357 V HA -0.360 3.759 4.120 -0.001 0.000 0.246 357 V C 2.604 178.759 176.094 0.103 0.000 1.049 357 V CA 2.024 64.326 62.300 0.004 0.000 1.024 357 V CB -0.871 31.038 31.823 0.144 0.000 0.648 357 V HN 0.671 nan 8.190 nan 0.000 0.447 358 C N -0.194 119.101 119.300 -0.009 0.000 2.466 358 C HA -0.099 4.360 4.460 -0.001 0.000 0.278 358 C C 2.634 177.630 174.990 0.010 0.000 1.288 358 C CA 1.000 60.051 59.018 0.055 0.000 1.722 358 C CB -0.872 26.842 27.740 -0.044 0.000 2.017 358 C HN 0.694 nan 8.230 nan 0.000 0.488 359 D N 0.513 120.836 120.400 -0.128 0.000 2.117 359 D HA -0.111 4.529 4.640 -0.001 0.000 0.198 359 D C 2.102 178.350 176.300 -0.087 0.000 0.982 359 D CA 1.537 55.465 54.000 -0.119 0.000 0.828 359 D CB -0.081 40.607 40.800 -0.186 0.000 0.967 359 D HN 0.325 nan 8.370 nan 0.000 0.464 360 T N -0.670 113.791 114.554 -0.156 0.000 2.746 360 T HA -0.123 4.227 4.350 -0.001 0.000 0.267 360 T C 2.033 176.788 174.700 0.093 0.000 1.039 360 T CA 1.083 63.145 62.100 -0.063 0.000 1.142 360 T CB -0.339 68.442 68.868 -0.145 0.000 0.866 360 T HN -0.009 nan 8.240 nan 0.000 0.444 361 V N 1.896 121.925 119.914 0.191 0.000 2.307 361 V HA -0.158 3.961 4.120 -0.001 0.000 0.245 361 V C 2.334 178.527 176.094 0.166 0.000 1.045 361 V CA 1.746 64.195 62.300 0.249 0.000 1.024 361 V CB -0.556 31.522 31.823 0.424 0.000 0.651 361 V HN 0.409 nan 8.190 nan 0.000 0.449 362 D N -0.102 120.372 120.400 0.123 0.000 2.149 362 D HA -0.166 4.474 4.640 -0.001 0.000 0.198 362 D C 2.391 178.730 176.300 0.065 0.000 0.990 362 D CA 1.249 55.300 54.000 0.086 0.000 0.839 362 D CB -0.257 40.577 40.800 0.056 0.000 0.948 362 D HN 0.393 nan 8.370 nan 0.000 0.460 363 R N -0.132 120.400 120.500 0.053 0.000 2.115 363 R HA 0.064 4.403 4.340 -0.001 0.000 0.226 363 R C 2.481 178.807 176.300 0.044 0.000 1.100 363 R CA 0.336 56.462 56.100 0.044 0.000 0.980 363 R CB -0.152 30.168 30.300 0.034 0.000 0.875 363 R HN 0.215 nan 8.270 nan 0.000 0.445 364 L N 0.473 121.727 121.223 0.051 0.000 2.056 364 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 364 L C 2.225 179.115 176.870 0.034 0.000 1.078 364 L CA 1.180 56.041 54.840 0.036 0.000 0.749 364 L CB -0.292 41.780 42.059 0.022 0.000 0.901 364 L HN 0.213 nan 8.230 nan 0.000 0.433 365 L N -0.548 120.709 121.223 0.057 0.000 2.201 365 L HA -0.130 4.209 4.340 -0.001 0.000 0.212 365 L C 2.518 179.416 176.870 0.046 0.000 1.105 365 L CA 0.821 55.698 54.840 0.062 0.000 0.775 365 L CB -0.514 41.603 42.059 0.097 0.000 0.913 365 L HN 0.226 nan 8.230 nan 0.000 0.440 366 A N -1.674 121.172 122.820 0.043 0.000 2.208 366 A HA -0.076 4.244 4.320 -0.001 0.000 0.209 366 A C 0.769 178.370 177.584 0.028 0.000 1.161 366 A CA 0.185 52.243 52.037 0.034 0.000 0.782 366 A CB -0.251 18.770 19.000 0.035 0.000 0.816 366 A HN 0.299 nan 8.150 nan 0.000 0.477 367 D N -0.088 120.328 120.400 0.026 0.000 2.329 367 D HA 0.124 4.763 4.640 -0.001 0.000 0.232 367 D C 0.531 176.841 176.300 0.017 0.000 1.088 367 D CA -0.239 53.773 54.000 0.021 0.000 0.835 367 D CB 0.935 41.748 40.800 0.020 0.000 1.078 367 D HN 0.365 nan 8.370 nan 0.000 0.495 368 E N 3.028 123.236 120.200 0.014 0.000 2.070 368 E HA -0.249 4.100 4.350 -0.001 0.000 0.197 368 E C 1.431 178.036 176.600 0.009 0.000 1.004 368 E CA 1.234 57.642 56.400 0.012 0.000 0.805 368 E CB 0.253 29.958 29.700 0.009 0.000 0.744 368 E HN 0.696 nan 8.360 nan 0.000 0.451 369 E N -0.028 120.176 120.200 0.007 0.000 2.031 369 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 369 E C 1.996 178.599 176.600 0.004 0.000 0.994 369 E CA 1.180 57.583 56.400 0.005 0.000 0.800 369 E CB -0.206 29.497 29.700 0.005 0.000 0.752 369 E HN 0.276 nan 8.360 nan 0.000 0.447 370 A N 1.519 124.342 122.820 0.005 0.000 1.908 370 A HA -0.260 4.059 4.320 -0.001 0.000 0.218 370 A C 2.146 179.724 177.584 -0.010 0.000 1.181 370 A CA 2.046 54.082 52.037 -0.002 0.000 0.627 370 A CB -0.624 18.378 19.000 0.003 0.000 0.818 370 A HN 0.321 nan 8.150 nan 0.000 0.445 371 K N -0.067 120.333 120.400 -0.000 0.000 2.026 371 K HA -0.184 4.135 4.320 -0.001 0.000 0.208 371 K C 1.977 178.580 176.600 0.004 0.000 1.048 371 K CA 1.853 58.142 56.287 0.003 0.000 0.929 371 K CB -0.208 32.303 32.500 0.018 0.000 0.713 371 K HN 0.430 nan 8.250 nan 0.000 0.439 372 K N 0.565 120.970 120.400 0.009 0.000 2.097 372 K HA -0.108 4.212 4.320 -0.001 0.000 0.206 372 K C 2.141 178.758 176.600 0.028 0.000 1.049 372 K CA 1.497 57.792 56.287 0.014 0.000 0.933 372 K CB -0.138 32.365 32.500 0.005 0.000 0.717 372 K HN 0.154 nan 8.250 nan 0.000 0.442 373 L N 0.417 121.650 121.223 0.018 0.000 2.017 373 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 373 L C 2.364 179.241 176.870 0.012 0.000 1.073 373 L CA 0.641 55.502 54.840 0.035 0.000 0.745 373 L CB -0.390 41.677 42.059 0.013 0.000 0.894 373 L HN 0.175 nan 8.230 nan 0.000 0.432 374 L N 0.082 121.277 121.223 -0.045 0.000 2.046 374 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 374 L C 2.366 179.191 176.870 -0.076 0.000 1.077 374 L CA 1.782 56.548 54.840 -0.122 0.000 0.747 374 L CB -0.496 41.445 42.059 -0.198 0.000 0.896 374 L HN 0.209 nan 8.230 nan 0.000 0.432 375 E N -1.726 118.467 120.200 -0.012 0.000 2.110 375 E HA -0.268 4.081 4.350 -0.001 0.000 0.193 375 E C 2.096 178.716 176.600 0.034 0.000 0.988 375 E CA 1.193 57.603 56.400 0.017 0.000 0.804 375 E CB -0.243 29.477 29.700 0.032 0.000 0.745 375 E HN 0.642 nan 8.360 nan 0.000 0.458 376 H N 0.451 119.497 119.070 -0.041 0.000 2.363 376 H HA -0.047 4.508 4.556 -0.001 0.000 0.301 376 H C 2.031 177.330 175.328 -0.049 0.000 1.074 376 H CA 1.266 57.290 56.048 -0.040 0.000 1.354 376 H CB 0.143 29.884 29.762 -0.035 0.000 1.397 376 H HN 0.136 nan 8.280 nan 0.000 0.516 377 I N 0.389 120.840 120.570 -0.198 0.000 2.406 377 I HA -0.142 4.027 4.170 -0.001 0.000 0.249 377 I C 0.636 176.631 176.117 -0.203 0.000 1.122 377 I CA 0.749 61.897 61.300 -0.255 0.000 1.431 377 I CB 0.013 37.923 38.000 -0.150 0.000 1.087 377 I HN 0.134 nan 8.210 nan 0.000 0.424 378 N N 0.430 119.036 118.700 -0.157 0.000 2.687 378 N HA 0.155 4.894 4.740 -0.001 0.000 0.275 378 N C -1.833 173.646 175.510 -0.052 0.000 1.789 378 N CA -1.787 51.187 53.050 -0.126 0.000 0.806 378 N CB 0.539 38.912 38.487 -0.189 0.000 1.256 378 N HN -0.109 nan 8.380 nan 0.000 0.500 379 P HA -0.167 nan 4.420 nan 0.000 0.217 379 P C 0.502 177.807 177.300 0.008 0.000 1.148 379 P CA 1.255 64.346 63.100 -0.014 0.000 0.828 379 P CB 0.465 32.149 31.700 -0.026 0.000 0.783 380 K N -1.631 118.767 120.400 -0.003 0.000 2.458 380 K HA 0.071 4.390 4.320 -0.001 0.000 0.194 380 K C 0.580 177.177 176.600 -0.006 0.000 1.024 380 K CA -0.474 55.806 56.287 -0.012 0.000 1.108 380 K CB -0.496 31.985 32.500 -0.031 0.000 0.846 380 K HN 0.074 nan 8.250 nan 0.000 0.518 381 F N 2.507 122.380 119.950 -0.129 0.000 2.578 381 F HA -0.040 4.486 4.527 -0.001 0.000 0.376 381 F C 0.030 175.764 175.800 -0.110 0.000 1.085 381 F CA 0.346 58.247 58.000 -0.165 0.000 1.260 381 F CB 0.456 39.323 39.000 -0.221 0.000 1.095 381 F HN -0.039 nan 8.300 nan 0.000 0.573 382 Q N 7.576 126.809 119.800 -0.945 0.000 2.375 382 Q HA 0.369 4.708 4.340 -0.001 0.000 0.271 382 Q C -2.425 172.866 176.000 -1.181 0.000 1.074 382 Q CA -2.034 53.294 55.803 -0.793 0.000 0.808 382 Q CB 1.870 30.392 28.738 -0.361 0.000 1.327 382 Q HN 0.441 nan 8.270 nan 0.000 0.441 383 P HA 0.110 nan 4.420 nan 0.000 0.268 383 P C -2.366 174.874 177.300 -0.100 0.000 1.208 383 P CA -0.800 62.142 63.100 -0.263 0.000 0.777 383 P CB -0.441 31.266 31.700 0.012 0.000 0.875 384 P HA 0.201 nan 4.420 nan 0.000 0.274 384 P C -0.075 177.312 177.300 0.145 0.000 1.231 384 P CA -0.127 63.057 63.100 0.139 0.000 0.790 384 P CB 0.698 32.533 31.700 0.225 0.000 0.951 385 E N 1.509 121.764 120.200 0.091 0.000 2.383 385 E HA 0.106 4.456 4.350 -0.001 0.000 0.264 385 E C -0.177 176.539 176.600 0.193 0.000 1.050 385 E CA -0.295 56.162 56.400 0.095 0.000 0.896 385 E CB 0.498 30.223 29.700 0.041 0.000 0.982 385 E HN 0.243 nan 8.360 nan 0.000 0.424 386 R N 3.428 123.998 120.500 0.116 0.000 2.599 386 R HA 0.401 4.740 4.340 -0.001 0.000 0.295 386 R C -2.199 174.125 176.300 0.041 0.000 0.963 386 R CA -1.767 54.379 56.100 0.077 0.000 0.883 386 R CB 1.416 31.713 30.300 -0.004 0.000 1.171 386 R HN 0.563 nan 8.270 nan 0.000 0.450 387 P HA 0.323 nan 4.420 nan 0.000 0.279 387 P C -0.550 176.851 177.300 0.169 0.000 1.252 387 P CA -0.513 62.599 63.100 0.020 0.000 0.811 387 P CB 0.465 32.159 31.700 -0.009 0.000 1.035 388 F N 0.274 120.192 119.950 -0.053 0.000 2.506 388 F HA 0.087 4.614 4.527 -0.001 0.000 0.351 388 F C 1.137 176.899 175.800 -0.063 0.000 1.136 388 F CA -1.054 56.905 58.000 -0.068 0.000 1.298 388 F CB -0.450 38.497 39.000 -0.088 0.000 1.145 388 F HN 0.133 nan 8.300 nan 0.000 0.593 389 L N 4.660 125.937 121.223 0.091 0.000 2.499 389 L HA 0.126 4.465 4.340 -0.001 0.000 0.273 389 L C 0.109 176.986 176.870 0.013 0.000 1.195 389 L CA 0.278 55.126 54.840 0.014 0.000 0.882 389 L CB 0.030 42.056 42.059 -0.055 0.000 1.133 389 L HN 0.525 nan 8.230 nan 0.000 0.483 390 R N 6.070 126.574 120.500 0.006 0.000 2.474 390 R HA 0.680 5.019 4.340 -0.001 0.000 0.295 390 R C -0.750 175.529 176.300 -0.035 0.000 0.980 390 R CA -0.634 55.462 56.100 -0.008 0.000 0.934 390 R CB 1.558 31.860 30.300 0.003 0.000 1.101 390 R HN 0.725 nan 8.270 nan 0.000 0.469 391 M N 1.841 121.406 119.600 -0.058 0.000 2.255 391 M HA 0.222 4.702 4.480 -0.001 0.000 0.275 391 M C -1.240 174.999 176.300 -0.102 0.000 1.050 391 M CA -0.373 54.879 55.300 -0.079 0.000 0.978 391 M CB 2.059 34.590 32.600 -0.116 0.000 1.761 391 M HN 0.550 nan 8.290 nan 0.000 0.479 392 E N 2.209 122.360 120.200 -0.080 0.000 2.390 392 E HA -0.009 4.340 4.350 -0.001 0.000 0.261 392 E C -0.015 176.508 176.600 -0.128 0.000 1.076 392 E CA 0.048 56.394 56.400 -0.090 0.000 0.905 392 E CB 1.079 30.765 29.700 -0.024 0.000 0.984 392 E HN 0.687 nan 8.360 nan 0.000 0.427 393 Y N 4.086 124.184 120.300 -0.336 0.000 2.139 393 Y HA -0.360 4.189 4.550 -0.001 0.000 0.282 393 Y C 2.231 178.071 175.900 -0.100 0.000 1.179 393 Y CA 2.520 60.416 58.100 -0.339 0.000 1.161 393 Y CB -0.065 38.135 38.460 -0.433 0.000 0.970 393 Y HN 0.532 nan 8.280 nan 0.000 0.511 394 K N -0.709 119.667 120.400 -0.040 0.000 2.103 394 K HA -0.196 4.123 4.320 -0.001 0.000 0.207 394 K C 1.481 178.041 176.600 -0.066 0.000 1.048 394 K CA 1.934 58.239 56.287 0.029 0.000 0.930 394 K CB -0.478 32.131 32.500 0.182 0.000 0.716 394 K HN 0.296 nan 8.250 nan 0.000 0.444 395 D N 1.459 121.820 120.400 -0.064 0.000 2.149 395 D HA -0.054 4.585 4.640 -0.001 0.000 0.201 395 D C 2.114 178.393 176.300 -0.036 0.000 0.972 395 D CA 1.407 55.389 54.000 -0.029 0.000 0.835 395 D CB -0.200 40.592 40.800 -0.013 0.000 0.966 395 D HN 0.411 nan 8.370 nan 0.000 0.476 396 A N 1.524 124.258 122.820 -0.144 0.000 1.908 396 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 396 A C 2.199 179.683 177.584 -0.167 0.000 1.181 396 A CA 0.919 52.857 52.037 -0.166 0.000 0.627 396 A CB -0.524 18.332 19.000 -0.240 0.000 0.818 396 A HN 0.099 nan 8.150 nan 0.000 0.445 397 I N 0.009 120.394 120.570 -0.307 0.000 2.163 397 I HA -0.243 3.927 4.170 -0.001 0.000 0.243 397 I C 2.293 178.383 176.117 -0.046 0.000 1.085 397 I CA 1.831 62.985 61.300 -0.243 0.000 1.347 397 I CB -1.289 36.556 38.000 -0.258 0.000 1.044 397 I HN 0.379 nan 8.210 nan 0.000 0.408 398 K N -0.649 119.753 120.400 0.003 0.000 2.057 398 K HA -0.248 4.071 4.320 -0.001 0.000 0.207 398 K C 2.092 178.756 176.600 0.107 0.000 1.049 398 K CA 1.813 58.131 56.287 0.052 0.000 0.931 398 K CB -0.406 32.119 32.500 0.042 0.000 0.714 398 K HN 0.325 nan 8.250 nan 0.000 0.440 399 W N 1.739 123.022 121.300 -0.029 0.000 2.335 399 W HA -0.217 4.442 4.660 -0.001 0.000 0.311 399 W C 1.605 178.174 176.519 0.082 0.000 1.213 399 W CA 1.401 58.770 57.345 0.041 0.000 1.274 399 W CB -0.205 29.224 29.460 -0.051 0.000 1.148 399 W HN -0.052 nan 8.180 nan 0.000 0.498 400 L N 0.145 121.611 121.223 0.405 0.000 1.994 400 L HA -0.301 4.038 4.340 -0.001 0.000 0.208 400 L C 2.695 179.656 176.870 0.152 0.000 1.071 400 L CA 1.819 56.816 54.840 0.262 0.000 0.745 400 L CB -1.268 40.662 42.059 -0.216 0.000 0.892 400 L HN 0.081 nan 8.230 nan 0.000 0.431 401 Q N -0.078 119.786 119.800 0.108 0.000 1.985 401 Q HA -0.288 4.051 4.340 -0.001 0.000 0.207 401 Q C 2.190 178.204 176.000 0.025 0.000 0.996 401 Q CA 2.152 58.015 55.803 0.100 0.000 0.851 401 Q CB -0.233 28.556 28.738 0.084 0.000 0.921 401 Q HN 0.476 nan 8.270 nan 0.000 0.418 402 E N -0.358 119.819 120.200 -0.039 0.000 2.130 402 E HA -0.215 4.135 4.350 -0.001 0.000 0.196 402 E C 1.348 177.777 176.600 -0.284 0.000 0.998 402 E CA 1.144 57.446 56.400 -0.163 0.000 0.806 402 E CB -0.104 29.463 29.700 -0.222 0.000 0.738 402 E HN 0.457 nan 8.360 nan 0.000 0.459 403 H N 0.068 118.952 119.070 -0.310 0.000 2.524 403 H HA 0.150 4.705 4.556 -0.001 0.000 0.280 403 H C -0.224 175.055 175.328 -0.081 0.000 1.018 403 H CA -0.012 55.855 56.048 -0.303 0.000 1.165 403 H CB 0.098 29.459 29.762 -0.667 0.000 1.411 403 H HN 0.099 nan 8.280 nan 0.000 0.569 404 N N -0.133 118.588 118.700 0.034 0.000 2.754 404 N HA -0.158 4.581 4.740 -0.001 0.000 0.248 404 N C -0.876 174.680 175.510 0.077 0.000 1.093 404 N CA 0.572 53.649 53.050 0.045 0.000 0.699 404 N CB -1.592 36.897 38.487 0.004 0.000 1.016 404 N HN 0.087 nan 8.380 nan 0.000 0.552 405 V N 0.565 120.575 119.914 0.160 0.000 2.509 405 V HA 0.239 4.359 4.120 -0.001 0.000 0.284 405 V C 0.798 177.091 176.094 0.332 0.000 1.047 405 V CA -0.280 62.134 62.300 0.190 0.000 0.952 405 V CB 1.939 33.931 31.823 0.282 0.000 0.988 405 V HN 0.083 nan 8.190 nan 0.000 0.469 406 E N 2.854 123.185 120.200 0.218 0.000 2.191 406 E HA 0.362 4.711 4.350 -0.001 0.000 0.274 406 E C -0.680 175.961 176.600 0.069 0.000 0.948 406 E CA -0.799 55.665 56.400 0.108 0.000 0.802 406 E CB 1.500 31.210 29.700 0.017 0.000 1.137 406 E HN 0.849 nan 8.360 nan 0.000 0.397 407 N N 0.813 119.322 118.700 -0.318 0.000 2.347 407 N HA -0.036 4.703 4.740 -0.001 0.000 0.253 407 N C 0.544 176.032 175.510 -0.037 0.000 1.274 407 N CA -0.186 52.671 53.050 -0.322 0.000 0.941 407 N CB 0.445 38.515 38.487 -0.694 0.000 1.200 407 N HN 0.487 nan 8.380 nan 0.000 0.514 408 E N -0.958 119.266 120.200 0.041 0.000 2.169 408 E HA -0.217 4.132 4.350 -0.001 0.000 0.202 408 E C 0.619 177.120 176.600 -0.164 0.000 1.016 408 E CA 1.572 57.934 56.400 -0.062 0.000 0.817 408 E CB -0.428 29.193 29.700 -0.132 0.000 0.736 408 E HN 0.574 nan 8.360 nan 0.000 0.462 409 F N -0.746 119.149 119.950 -0.092 0.000 2.797 409 F HA 0.219 4.746 4.527 -0.001 0.000 0.302 409 F C 1.498 177.250 175.800 -0.081 0.000 1.130 409 F CA 0.632 58.585 58.000 -0.078 0.000 1.387 409 F CB 0.589 39.540 39.000 -0.082 0.000 1.107 409 F HN 0.032 nan 8.300 nan 0.000 0.577 410 G N 0.782 109.608 108.800 0.044 0.000 2.149 410 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.235 410 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.235 410 G C -0.276 174.619 174.900 -0.008 0.000 1.018 410 G CA -0.352 44.749 45.100 0.003 0.000 0.728 410 G HN 0.306 nan 8.290 nan 0.000 0.508 411 N N 0.183 118.856 118.700 -0.044 0.000 2.265 411 N HA 0.629 5.369 4.740 -0.001 0.000 0.300 411 N C 0.508 175.953 175.510 -0.108 0.000 1.148 411 N CA 0.171 53.185 53.050 -0.061 0.000 0.772 411 N CB 1.432 39.878 38.487 -0.068 0.000 1.434 411 N HN 0.431 nan 8.380 nan 0.000 0.481 412 T N -1.076 113.463 114.554 -0.025 0.000 2.906 412 T HA 0.235 4.584 4.350 -0.001 0.000 0.320 412 T C 0.277 174.992 174.700 0.024 0.000 1.088 412 T CA 0.001 62.137 62.100 0.060 0.000 1.120 412 T CB -0.175 68.747 68.868 0.090 0.000 1.000 412 T HN 0.173 nan 8.240 nan 0.000 0.550 413 F N 1.143 121.128 119.950 0.057 0.000 2.399 413 F HA 0.363 4.889 4.527 -0.001 0.000 0.342 413 F C 1.371 177.208 175.800 0.061 0.000 1.106 413 F CA -0.408 57.630 58.000 0.062 0.000 1.196 413 F CB 0.836 39.877 39.000 0.069 0.000 1.163 413 F HN 0.593 nan 8.300 nan 0.000 0.547 414 T N 3.305 117.981 114.554 0.203 0.000 2.829 414 T HA 0.160 4.510 4.350 -0.001 0.000 0.282 414 T C -0.785 174.059 174.700 0.240 0.000 0.990 414 T CA -0.470 61.739 62.100 0.183 0.000 1.028 414 T CB 0.489 69.422 68.868 0.109 0.000 0.951 414 T HN 0.397 nan 8.240 nan 0.000 0.460 415 Y N 2.137 122.517 120.300 0.134 0.000 2.895 415 Y HA 0.247 4.797 4.550 -0.001 0.000 0.334 415 Y C 1.358 177.396 175.900 0.230 0.000 1.261 415 Y CA 1.857 60.053 58.100 0.159 0.000 1.560 415 Y CB -0.163 38.363 38.460 0.111 0.000 1.253 415 Y HN 0.980 nan 8.280 nan 0.000 0.582 416 G N 3.436 112.060 108.800 -0.294 0.000 2.259 416 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 416 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 416 G C 0.078 174.981 174.900 0.006 0.000 1.001 416 G CA 0.085 45.072 45.100 -0.189 0.000 0.627 416 G HN 0.896 nan 8.290 nan 0.000 0.501 417 E N 1.184 121.465 120.200 0.136 0.000 2.345 417 E HA 0.534 4.883 4.350 -0.001 0.000 0.259 417 E C -0.391 176.349 176.600 0.233 0.000 1.117 417 E CA -0.320 56.160 56.400 0.133 0.000 0.913 417 E CB 0.949 30.713 29.700 0.107 0.000 1.057 417 E HN 0.098 nan 8.360 nan 0.000 0.432 418 D N 0.851 121.350 120.400 0.165 0.000 2.399 418 D HA 0.097 4.736 4.640 -0.001 0.000 0.241 418 D C -0.703 175.800 176.300 0.338 0.000 1.133 418 D CA -0.113 54.002 54.000 0.192 0.000 0.890 418 D CB 0.556 41.417 40.800 0.101 0.000 1.201 418 D HN 0.416 nan 8.370 nan 0.000 0.432 419 I N 3.258 124.034 120.570 0.343 0.000 2.337 419 I HA 0.371 4.540 4.170 -0.001 0.000 0.285 419 I C 0.653 176.916 176.117 0.244 0.000 1.041 419 I CA -0.688 60.827 61.300 0.358 0.000 1.199 419 I CB 0.947 39.097 38.000 0.250 0.000 1.370 419 I HN 0.401 nan 8.210 nan 0.000 0.470 420 A N 5.008 127.982 122.820 0.257 0.000 2.251 420 A HA 0.192 4.511 4.320 -0.001 0.000 0.278 420 A C 1.456 179.122 177.584 0.137 0.000 1.206 420 A CA -0.123 52.013 52.037 0.165 0.000 0.822 420 A CB 0.359 19.448 19.000 0.148 0.000 1.187 420 A HN 0.789 nan 8.150 nan 0.000 0.504 421 E N -0.705 119.556 120.200 0.101 0.000 2.038 421 E HA -0.196 4.153 4.350 -0.001 0.000 0.195 421 E C 2.041 178.687 176.600 0.077 0.000 1.000 421 E CA 1.611 58.056 56.400 0.075 0.000 0.803 421 E CB -0.300 29.443 29.700 0.073 0.000 0.750 421 E HN 0.686 nan 8.360 nan 0.000 0.448 422 A N 1.280 124.153 122.820 0.089 0.000 1.858 422 A HA -0.128 4.192 4.320 -0.001 0.000 0.216 422 A C 2.459 180.131 177.584 0.148 0.000 1.190 422 A CA 2.125 54.220 52.037 0.098 0.000 0.617 422 A CB -1.035 18.010 19.000 0.074 0.000 0.827 422 A HN 0.450 nan 8.150 nan 0.000 0.443 423 A N -0.217 122.713 122.820 0.184 0.000 1.883 423 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 423 A C 2.077 179.743 177.584 0.137 0.000 1.186 423 A CA 2.066 54.235 52.037 0.219 0.000 0.624 423 A CB -0.701 18.494 19.000 0.325 0.000 0.822 423 A HN 0.727 nan 8.150 nan 0.000 0.444 424 E N -0.293 119.957 120.200 0.084 0.000 2.058 424 E HA -0.264 4.085 4.350 -0.001 0.000 0.194 424 E C 2.251 178.833 176.600 -0.030 0.000 0.997 424 E CA 1.434 57.838 56.400 0.008 0.000 0.801 424 E CB -0.173 29.544 29.700 0.029 0.000 0.746 424 E HN 0.616 nan 8.360 nan 0.000 0.450 425 R N -0.534 119.976 120.500 0.016 0.000 2.083 425 R HA -0.151 4.189 4.340 -0.001 0.000 0.237 425 R C 2.398 178.699 176.300 0.002 0.000 1.137 425 R CA 1.643 57.742 56.100 -0.002 0.000 0.951 425 R CB -0.577 29.741 30.300 0.029 0.000 0.851 425 R HN 0.266 nan 8.270 nan 0.000 0.434 426 F N 1.481 121.401 119.950 -0.051 0.000 2.126 426 F HA -0.238 4.288 4.527 -0.001 0.000 0.299 426 F C 2.372 178.100 175.800 -0.121 0.000 1.096 426 F CA 1.774 59.759 58.000 -0.026 0.000 1.255 426 F CB -0.220 38.814 39.000 0.057 0.000 0.997 426 F HN -0.069 nan 8.300 nan 0.000 0.479 427 M N -0.393 119.022 119.600 -0.309 0.000 2.077 427 M HA -0.192 4.288 4.480 -0.001 0.000 0.261 427 M C 1.927 177.763 176.300 -0.772 0.000 1.070 427 M CA 2.445 57.197 55.300 -0.913 0.000 1.125 427 M CB -0.578 31.483 32.600 -0.898 0.000 1.339 427 M HN 0.131 nan 8.290 nan 0.000 0.409 428 T N 0.651 114.924 114.554 -0.468 0.000 2.788 428 T HA -0.141 4.208 4.350 -0.001 0.000 0.268 428 T C 1.199 175.717 174.700 -0.302 0.000 1.044 428 T CA 1.690 63.574 62.100 -0.359 0.000 1.139 428 T CB -0.559 68.160 68.868 -0.248 0.000 0.867 428 T HN 0.452 nan 8.240 nan 0.000 0.454 429 D N 0.856 121.092 120.400 -0.273 0.000 2.144 429 D HA -0.027 4.612 4.640 -0.001 0.000 0.200 429 D C 2.342 178.490 176.300 -0.252 0.000 0.978 429 D CA 1.058 54.932 54.000 -0.209 0.000 0.833 429 D CB -0.554 40.164 40.800 -0.138 0.000 0.961 429 D HN 0.318 nan 8.370 nan 0.000 0.470 430 T N 0.584 114.897 114.554 -0.402 0.000 2.857 430 T HA 0.020 4.370 4.350 -0.001 0.000 0.266 430 T C 2.135 176.723 174.700 -0.186 0.000 1.048 430 T CA 0.463 62.371 62.100 -0.320 0.000 1.139 430 T CB -0.005 68.612 68.868 -0.417 0.000 0.874 430 T HN 0.155 nan 8.240 nan 0.000 0.455 431 I N 0.979 121.388 120.570 -0.269 0.000 2.500 431 I HA -0.038 4.131 4.170 -0.001 0.000 0.252 431 I C 1.248 177.270 176.117 -0.159 0.000 1.142 431 I CA 0.349 61.533 61.300 -0.195 0.000 1.451 431 I CB -0.305 37.510 38.000 -0.308 0.000 1.093 431 I HN 0.231 nan 8.210 nan 0.000 0.430 432 N N 1.782 120.374 118.700 -0.180 0.000 2.741 432 N HA -0.201 4.539 4.740 -0.001 0.000 0.250 432 N C -0.476 174.957 175.510 -0.128 0.000 1.115 432 N CA 0.998 53.969 53.050 -0.132 0.000 0.724 432 N CB -0.815 37.617 38.487 -0.092 0.000 1.090 432 N HN 0.420 nan 8.380 nan 0.000 0.558 433 K N -0.444 119.851 120.400 -0.175 0.000 2.435 433 K HA 0.522 4.841 4.320 -0.001 0.000 0.251 433 K C -2.663 173.754 176.600 -0.305 0.000 0.954 433 K CA -2.036 54.128 56.287 -0.206 0.000 0.820 433 K CB 1.680 34.075 32.500 -0.176 0.000 1.292 433 K HN -0.135 nan 8.250 nan 0.000 0.436 434 P HA 0.033 nan 4.420 nan 0.000 0.264 434 P C -0.933 176.086 177.300 -0.469 0.000 1.183 434 P CA 0.415 63.121 63.100 -0.657 0.000 0.763 434 P CB 0.279 31.150 31.700 -1.381 0.000 0.807 435 I N 3.440 123.810 120.570 -0.335 0.000 2.447 435 I HA 0.245 4.414 4.170 -0.001 0.000 0.287 435 I C 0.039 176.090 176.117 -0.110 0.000 1.023 435 I CA -0.630 60.549 61.300 -0.201 0.000 1.083 435 I CB 1.496 39.372 38.000 -0.208 0.000 1.245 435 I HN 0.063 nan 8.210 nan 0.000 0.434 436 L N 6.843 128.048 121.223 -0.029 0.000 2.375 436 L HA 0.253 4.592 4.340 -0.001 0.000 0.276 436 L C -0.400 176.463 176.870 -0.011 0.000 1.162 436 L CA -0.390 54.462 54.840 0.019 0.000 0.991 436 L CB 0.291 42.389 42.059 0.065 0.000 1.315 436 L HN 0.431 nan 8.230 nan 0.000 0.431 437 L N 4.703 125.923 121.223 -0.005 0.000 2.278 437 L HA 0.298 4.638 4.340 -0.001 0.000 0.287 437 L C 0.012 176.829 176.870 -0.089 0.000 1.072 437 L CA 0.206 55.008 54.840 -0.063 0.000 0.819 437 L CB 0.469 42.523 42.059 -0.009 0.000 1.176 437 L HN 0.644 nan 8.230 nan 0.000 0.435 438 N N 2.424 121.002 118.700 -0.203 0.000 2.469 438 N HA 0.649 5.389 4.740 -0.001 0.000 0.286 438 N C -1.062 174.287 175.510 -0.270 0.000 1.275 438 N CA -1.054 51.907 53.050 -0.150 0.000 0.790 438 N CB 0.890 39.363 38.487 -0.023 0.000 1.446 438 N HN 0.399 nan 8.380 nan 0.000 0.501 439 R N -0.929 119.513 120.500 -0.096 0.000 3.209 439 R HA -0.155 4.184 4.340 -0.001 0.000 0.252 439 R C -1.154 175.084 176.300 -0.104 0.000 0.958 439 R CA 0.171 56.246 56.100 -0.042 0.000 0.651 439 R CB -2.095 28.202 30.300 -0.005 0.000 1.142 439 R HN 0.433 nan 8.270 nan 0.000 0.441 440 F N 1.110 121.015 119.950 -0.075 0.000 2.410 440 F HA 0.262 4.788 4.527 -0.001 0.000 0.334 440 F C -1.235 174.379 175.800 -0.310 0.000 1.134 440 F CA -2.279 55.534 58.000 -0.311 0.000 1.227 440 F CB 0.219 39.050 39.000 -0.281 0.000 1.194 440 F HN -0.019 nan 8.300 nan 0.000 0.571 441 P HA 0.032 nan 4.420 nan 0.000 0.271 441 P C 0.366 177.597 177.300 -0.114 0.000 1.216 441 P CA 0.023 63.015 63.100 -0.179 0.000 0.771 441 P CB 0.875 32.415 31.700 -0.268 0.000 0.864 442 S N 2.656 118.316 115.700 -0.067 0.000 2.400 442 S HA -0.247 4.222 4.470 -0.001 0.000 0.232 442 S C 1.552 176.099 174.600 -0.088 0.000 1.025 442 S CA 1.341 59.496 58.200 -0.074 0.000 0.993 442 S CB -1.004 62.164 63.200 -0.053 0.000 0.808 442 S HN 0.665 nan 8.310 nan 0.000 0.478 443 E N 2.106 122.260 120.200 -0.076 0.000 2.265 443 E HA -0.140 4.209 4.350 -0.001 0.000 0.196 443 E C 1.801 178.349 176.600 -0.086 0.000 0.996 443 E CA 1.279 57.637 56.400 -0.070 0.000 0.832 443 E CB -0.539 29.131 29.700 -0.050 0.000 0.756 443 E HN 0.942 nan 8.360 nan 0.000 0.491 444 I N -2.336 118.164 120.570 -0.117 0.000 3.927 444 I HA 0.380 4.550 4.170 -0.001 0.000 0.332 444 I C -0.276 175.742 176.117 -0.164 0.000 1.485 444 I CA -0.793 60.432 61.300 -0.125 0.000 1.131 444 I CB 0.399 38.323 38.000 -0.126 0.000 1.092 444 I HN -0.200 nan 8.210 nan 0.000 0.410 445 K N 1.619 121.917 120.400 -0.169 0.000 2.433 445 K HA 0.722 5.041 4.320 -0.001 0.000 0.252 445 K C -0.486 175.967 176.600 -0.245 0.000 1.015 445 K CA -0.620 55.535 56.287 -0.221 0.000 0.860 445 K CB 2.119 34.490 32.500 -0.214 0.000 1.359 445 K HN 0.095 nan 8.250 nan 0.000 0.452 446 A N 0.744 123.338 122.820 -0.377 0.000 2.425 446 A HA 0.208 4.527 4.320 -0.001 0.000 0.242 446 A C 1.081 178.310 177.584 -0.592 0.000 1.077 446 A CA 0.005 51.734 52.037 -0.515 0.000 0.781 446 A CB -0.429 18.028 19.000 -0.905 0.000 1.020 446 A HN 0.714 nan 8.150 nan 0.000 0.494 447 F N 0.606 120.297 119.950 -0.432 0.000 2.250 447 F HA -0.231 4.296 4.527 -0.001 0.000 0.301 447 F C 1.448 177.054 175.800 -0.324 0.000 1.077 447 F CA 1.535 59.331 58.000 -0.341 0.000 1.348 447 F CB -1.122 37.684 39.000 -0.323 0.000 1.040 447 F HN 0.627 nan 8.300 nan 0.000 0.509 448 Y N -0.357 119.349 120.300 -0.990 0.000 2.529 448 Y HA 0.371 4.921 4.550 -0.001 0.000 0.290 448 Y C 0.669 176.389 175.900 -0.300 0.000 1.177 448 Y CA -1.336 56.337 58.100 -0.712 0.000 1.305 448 Y CB -1.318 36.656 38.460 -0.809 0.000 1.047 448 Y HN 0.036 nan 8.280 nan 0.000 0.522 449 M N 2.117 121.517 119.600 -0.333 0.000 2.180 449 M HA 0.154 4.633 4.480 -0.001 0.000 0.358 449 M C -0.145 176.122 176.300 -0.055 0.000 1.233 449 M CA -0.464 54.758 55.300 -0.131 0.000 1.114 449 M CB 1.101 33.570 32.600 -0.217 0.000 1.594 449 M HN 0.134 nan 8.290 nan 0.000 0.467 450 Q N 3.310 123.119 119.800 0.014 0.000 2.337 450 Q HA 0.099 4.439 4.340 -0.001 0.000 0.270 450 Q C -0.660 175.359 176.000 0.032 0.000 1.002 450 Q CA 0.339 56.168 55.803 0.044 0.000 0.888 450 Q CB 0.643 29.443 28.738 0.104 0.000 1.222 450 Q HN 0.344 nan 8.270 nan 0.000 0.400 451 R N 3.011 123.527 120.500 0.026 0.000 2.594 451 R HA 0.120 4.459 4.340 -0.001 0.000 0.272 451 R C -0.546 175.781 176.300 0.046 0.000 1.074 451 R CA -0.401 55.713 56.100 0.023 0.000 1.105 451 R CB -0.126 30.179 30.300 0.009 0.000 1.008 451 R HN 0.786 nan 8.270 nan 0.000 0.472 452 D N 0.550 120.975 120.400 0.043 0.000 2.443 452 D HA 0.070 4.709 4.640 -0.001 0.000 0.239 452 D C 0.940 177.271 176.300 0.051 0.000 1.136 452 D CA 0.458 54.488 54.000 0.050 0.000 0.879 452 D CB 0.933 41.761 40.800 0.047 0.000 1.195 452 D HN 0.510 nan 8.370 nan 0.000 0.443 453 A N 3.152 126.008 122.820 0.059 0.000 1.969 453 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 453 A C 1.828 179.438 177.584 0.043 0.000 1.169 453 A CA 1.357 53.428 52.037 0.058 0.000 0.635 453 A CB -0.268 18.773 19.000 0.068 0.000 0.810 453 A HN 0.758 nan 8.150 nan 0.000 0.445 454 Q N -1.679 118.145 119.800 0.040 0.000 2.373 454 Q HA 0.046 4.385 4.340 -0.001 0.000 0.210 454 Q C -0.420 175.599 176.000 0.031 0.000 0.913 454 Q CA 0.652 56.475 55.803 0.033 0.000 0.911 454 Q CB 0.546 29.303 28.738 0.031 0.000 1.040 454 Q HN 0.503 nan 8.270 nan 0.000 0.521 455 D N -0.041 120.381 120.400 0.037 0.000 2.402 455 D HA 0.036 4.676 4.640 -0.001 0.000 0.252 455 D C -0.254 176.070 176.300 0.040 0.000 1.294 455 D CA -0.216 53.808 54.000 0.040 0.000 0.948 455 D CB 0.446 41.277 40.800 0.052 0.000 1.202 455 D HN -0.006 nan 8.370 nan 0.000 0.561 456 N N 2.063 120.782 118.700 0.030 0.000 2.430 456 N HA -0.180 4.560 4.740 -0.001 0.000 0.186 456 N C 1.100 176.624 175.510 0.023 0.000 1.032 456 N CA 1.628 54.692 53.050 0.022 0.000 0.893 456 N CB 0.393 38.888 38.487 0.014 0.000 0.957 456 N HN 0.481 nan 8.380 nan 0.000 0.442 457 T N -2.071 112.505 114.554 0.037 0.000 3.100 457 T HA 0.225 4.574 4.350 -0.001 0.000 0.253 457 T C 1.090 175.813 174.700 0.037 0.000 1.118 457 T CA -0.027 62.098 62.100 0.041 0.000 1.058 457 T CB 0.153 69.064 68.868 0.073 0.000 0.953 457 T HN -0.005 nan 8.240 nan 0.000 0.515 458 L N 1.773 123.022 121.223 0.043 0.000 2.331 458 L HA 0.627 4.967 4.340 -0.001 0.000 0.268 458 L C 0.319 177.204 176.870 0.025 0.000 1.015 458 L CA -1.154 53.709 54.840 0.038 0.000 0.807 458 L CB 1.990 44.089 42.059 0.067 0.000 1.293 458 L HN 0.211 nan 8.230 nan 0.000 0.451 459 T N -3.361 111.210 114.554 0.029 0.000 2.912 459 T HA 0.330 4.679 4.350 -0.001 0.000 0.288 459 T C -0.281 174.453 174.700 0.057 0.000 1.030 459 T CA -0.895 61.224 62.100 0.031 0.000 1.020 459 T CB 1.603 70.476 68.868 0.008 0.000 1.056 459 T HN 0.497 nan 8.240 nan 0.000 0.480 460 E N 2.030 122.264 120.200 0.057 0.000 2.222 460 E HA 0.264 4.613 4.350 -0.001 0.000 0.312 460 E C -0.050 176.605 176.600 0.091 0.000 1.263 460 E CA -0.432 56.009 56.400 0.068 0.000 1.356 460 E CB -0.149 29.588 29.700 0.062 0.000 1.180 460 E HN 0.688 nan 8.360 nan 0.000 0.494 461 S N -0.060 115.717 115.700 0.128 0.000 2.532 461 S HA 0.656 5.125 4.470 -0.001 0.000 0.301 461 S C -0.483 174.260 174.600 0.238 0.000 1.083 461 S CA -0.918 57.397 58.200 0.192 0.000 1.025 461 S CB 2.458 65.813 63.200 0.259 0.000 1.056 461 S HN 0.120 nan 8.310 nan 0.000 0.494 462 V N 1.339 121.396 119.914 0.239 0.000 2.777 462 V HA 0.546 4.666 4.120 -0.001 0.000 0.306 462 V C -2.076 174.162 176.094 0.240 0.000 1.112 462 V CA -0.578 61.864 62.300 0.237 0.000 0.917 462 V CB 2.084 33.985 31.823 0.131 0.000 1.018 462 V HN 1.034 nan 8.190 nan 0.000 0.426 463 D N 4.487 125.064 120.400 0.294 0.000 2.252 463 D HA 0.509 5.148 4.640 -0.001 0.000 0.245 463 D C -0.837 175.524 176.300 0.101 0.000 1.009 463 D CA -0.132 53.974 54.000 0.177 0.000 0.870 463 D CB 2.317 43.228 40.800 0.186 0.000 1.251 463 D HN 0.504 nan 8.370 nan 0.000 0.460 464 L N 2.521 123.768 121.223 0.039 0.000 2.265 464 L HA 0.357 4.696 4.340 -0.001 0.000 0.289 464 L C -1.601 175.224 176.870 -0.076 0.000 1.033 464 L CA -0.514 54.313 54.840 -0.021 0.000 0.814 464 L CB 0.626 42.668 42.059 -0.028 0.000 1.203 464 L HN 0.143 nan 8.230 nan 0.000 0.423 465 L N 6.531 127.681 121.223 -0.122 0.000 2.282 465 L HA 0.581 4.920 4.340 -0.001 0.000 0.288 465 L C -0.235 176.475 176.870 -0.266 0.000 1.033 465 L CA -0.031 54.714 54.840 -0.159 0.000 0.807 465 L CB 1.430 43.403 42.059 -0.144 0.000 1.209 465 L HN 0.560 nan 8.230 nan 0.000 0.423 466 M N 4.743 124.177 119.600 -0.276 0.000 2.393 466 M HA 0.470 4.949 4.480 -0.001 0.000 0.316 466 M C -2.400 173.788 176.300 -0.187 0.000 1.087 466 M CA -2.602 52.471 55.300 -0.379 0.000 0.937 466 M CB 1.594 33.806 32.600 -0.646 0.000 1.668 466 M HN 0.146 nan 8.290 nan 0.000 0.438 467 P HA 0.153 nan 4.420 nan 0.000 0.264 467 P C 0.991 178.329 177.300 0.063 0.000 1.183 467 P CA 1.270 64.352 63.100 -0.031 0.000 0.763 467 P CB 0.484 32.183 31.700 -0.002 0.000 0.807 468 G N 1.218 110.026 108.800 0.013 0.000 2.320 468 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.242 468 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.242 468 G C 0.736 175.640 174.900 0.007 0.000 1.033 468 G CA 0.430 45.544 45.100 0.022 0.000 0.620 468 G HN 0.427 nan 8.290 nan 0.000 0.517 469 V N -0.301 119.616 119.914 0.005 0.000 2.996 469 V HA 0.628 4.748 4.120 -0.001 0.000 0.235 469 V C 2.051 178.106 176.094 -0.065 0.000 1.205 469 V CA 1.847 64.128 62.300 -0.031 0.000 1.225 469 V CB -0.135 31.684 31.823 -0.007 0.000 0.995 469 V HN 2.203 nan 8.190 nan 0.000 0.484 470 G N 0.716 109.471 108.800 -0.076 0.000 2.475 470 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.223 470 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.223 470 G C -0.130 174.714 174.900 -0.094 0.000 1.201 470 G CA 0.112 45.159 45.100 -0.087 0.000 0.962 470 G HN 0.518 nan 8.290 nan 0.000 0.586 471 E N 1.002 121.157 120.200 -0.075 0.000 2.493 471 E HA 0.283 4.632 4.350 -0.001 0.000 0.255 471 E C 1.534 178.097 176.600 -0.062 0.000 0.999 471 E CA 0.572 56.937 56.400 -0.059 0.000 0.934 471 E CB 0.005 29.680 29.700 -0.041 0.000 0.940 471 E HN 0.860 nan 8.360 nan 0.000 0.473 472 I N 1.658 122.204 120.570 -0.040 0.000 4.323 472 I HA 0.234 4.403 4.170 -0.001 0.000 0.328 472 I C -0.573 175.582 176.117 0.063 0.000 1.310 472 I CA -0.372 60.933 61.300 0.008 0.000 1.186 472 I CB 0.944 38.965 38.000 0.037 0.000 1.130 472 I HN 0.117 nan 8.210 nan 0.000 0.411 473 V N 1.636 121.582 119.914 0.053 0.000 2.735 473 V HA 0.841 4.960 4.120 -0.001 0.000 0.310 473 V C -0.023 176.141 176.094 0.116 0.000 1.061 473 V CA -0.442 61.923 62.300 0.109 0.000 0.913 473 V CB 1.662 33.512 31.823 0.044 0.000 1.005 473 V HN 0.301 nan 8.190 nan 0.000 0.428 474 G N 1.210 110.122 108.800 0.187 0.000 2.723 474 G HA2 0.752 4.712 3.960 -0.001 0.000 0.295 474 G HA3 0.752 4.712 3.960 -0.001 0.000 0.295 474 G C -0.489 174.554 174.900 0.239 0.000 1.464 474 G CA -0.060 45.141 45.100 0.169 0.000 1.012 474 G HN 1.164 nan 8.290 nan 0.000 0.522 475 G N -0.260 108.670 108.800 0.217 0.000 2.682 475 G HA2 0.926 4.885 3.960 -0.001 0.000 0.290 475 G HA3 0.926 4.885 3.960 -0.001 0.000 0.290 475 G C -0.706 174.320 174.900 0.210 0.000 1.425 475 G CA 0.088 45.340 45.100 0.253 0.000 0.807 475 G HN 1.800 nan 8.290 nan 0.000 0.482 476 S N -0.900 114.924 115.700 0.207 0.000 2.611 476 S HA 0.571 5.040 4.470 -0.001 0.000 0.270 476 S C -0.812 173.866 174.600 0.129 0.000 1.131 476 S CA -0.898 57.402 58.200 0.167 0.000 0.826 476 S CB 1.334 64.638 63.200 0.173 0.000 1.095 476 S HN 0.625 nan 8.310 nan 0.000 0.461 477 M N 2.253 121.902 119.600 0.082 0.000 2.242 477 M HA 0.478 4.957 4.480 -0.001 0.000 0.344 477 M C 0.198 176.503 176.300 0.008 0.000 1.140 477 M CA -0.006 55.303 55.300 0.015 0.000 1.160 477 M CB 0.202 32.802 32.600 -0.000 0.000 1.491 477 M HN 0.680 nan 8.290 nan 0.000 0.459 478 R N 1.862 122.289 120.500 -0.121 0.000 2.604 478 R HA 0.578 4.918 4.340 -0.001 0.000 0.287 478 R C -0.297 175.979 176.300 -0.041 0.000 0.970 478 R CA -0.954 55.090 56.100 -0.093 0.000 0.946 478 R CB 0.472 30.639 30.300 -0.222 0.000 1.127 478 R HN 0.703 nan 8.270 nan 0.000 0.473 479 I N 3.590 124.179 120.570 0.031 0.000 2.741 479 I HA -0.119 4.050 4.170 -0.001 0.000 0.288 479 I C 1.000 177.183 176.117 0.111 0.000 1.192 479 I CA 0.635 61.971 61.300 0.059 0.000 1.426 479 I CB 0.277 38.268 38.000 -0.015 0.000 1.367 479 I HN 0.700 nan 8.210 nan 0.000 0.563 480 W N 5.380 126.623 121.300 -0.096 0.000 2.870 480 W HA 0.317 4.976 4.660 -0.001 0.000 0.358 480 W C -0.274 176.252 176.519 0.012 0.000 1.043 480 W CA -0.472 56.840 57.345 -0.054 0.000 1.692 480 W CB -0.198 29.221 29.460 -0.069 0.000 1.100 480 W HN 0.227 nan 8.180 nan 0.000 0.557 481 K N 1.755 122.011 120.400 -0.240 0.000 2.213 481 K HA 0.145 4.464 4.320 -0.001 0.000 0.270 481 K C 0.210 176.796 176.600 -0.023 0.000 1.002 481 K CA -0.799 55.370 56.287 -0.198 0.000 0.868 481 K CB 1.857 34.169 32.500 -0.313 0.000 1.093 481 K HN -0.073 nan 8.250 nan 0.000 0.454 482 F N 3.340 123.256 119.950 -0.057 0.000 2.095 482 F HA -0.275 4.251 4.527 -0.001 0.000 0.298 482 F C 1.293 177.093 175.800 -0.000 0.000 1.104 482 F CA 1.883 59.880 58.000 -0.004 0.000 1.232 482 F CB 0.281 39.285 39.000 0.006 0.000 0.987 482 F HN 0.566 nan 8.300 nan 0.000 0.475 483 D N 0.338 120.814 120.400 0.127 0.000 2.104 483 D HA -0.248 4.391 4.640 -0.001 0.000 0.194 483 D C 2.159 178.394 176.300 -0.109 0.000 0.994 483 D CA 1.776 55.793 54.000 0.029 0.000 0.830 483 D CB -0.574 40.264 40.800 0.063 0.000 0.959 483 D HN 0.555 nan 8.370 nan 0.000 0.452 484 E N -0.115 120.021 120.200 -0.106 0.000 2.072 484 E HA -0.157 4.192 4.350 -0.001 0.000 0.191 484 E C 2.164 178.689 176.600 -0.125 0.000 0.985 484 E CA 0.385 56.720 56.400 -0.110 0.000 0.801 484 E CB -0.043 29.585 29.700 -0.119 0.000 0.750 484 E HN 0.064 nan 8.360 nan 0.000 0.452 485 L N 0.573 121.705 121.223 -0.151 0.000 2.056 485 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 485 L C 2.430 179.227 176.870 -0.121 0.000 1.078 485 L CA 2.090 56.846 54.840 -0.141 0.000 0.749 485 L CB -0.841 41.165 42.059 -0.089 0.000 0.901 485 L HN 0.062 nan 8.230 nan 0.000 0.433 486 S N -0.601 114.954 115.700 -0.242 0.000 2.359 486 S HA -0.310 4.159 4.470 -0.001 0.000 0.224 486 S C 2.244 176.820 174.600 -0.040 0.000 1.035 486 S CA 1.930 60.029 58.200 -0.168 0.000 1.018 486 S CB -0.427 62.481 63.200 -0.488 0.000 0.876 486 S HN 0.552 nan 8.310 nan 0.000 0.448 487 K N 0.427 120.779 120.400 -0.081 0.000 2.097 487 K HA -0.065 4.255 4.320 -0.001 0.000 0.206 487 K C 2.183 178.757 176.600 -0.042 0.000 1.049 487 K CA 1.225 57.485 56.287 -0.046 0.000 0.933 487 K CB -0.527 31.942 32.500 -0.051 0.000 0.717 487 K HN 0.420 nan 8.250 nan 0.000 0.442 488 A N 0.591 123.367 122.820 -0.074 0.000 1.902 488 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 488 A C 1.949 179.456 177.584 -0.129 0.000 1.181 488 A CA 1.226 53.207 52.037 -0.095 0.000 0.623 488 A CB -0.787 18.147 19.000 -0.109 0.000 0.818 488 A HN 0.373 nan 8.150 nan 0.000 0.443 489 F N 0.243 120.124 119.950 -0.116 0.000 2.075 489 F HA -0.202 4.324 4.527 -0.001 0.000 0.297 489 F C 2.461 178.145 175.800 -0.193 0.000 1.113 489 F CA 1.892 59.741 58.000 -0.252 0.000 1.218 489 F CB -0.132 38.709 39.000 -0.265 0.000 0.984 489 F HN 0.123 nan 8.300 nan 0.000 0.472 490 K N -0.031 120.415 120.400 0.076 0.000 2.032 490 K HA -0.244 4.076 4.320 -0.001 0.000 0.209 490 K C 1.926 178.519 176.600 -0.012 0.000 1.048 490 K CA 1.525 57.822 56.287 0.016 0.000 0.927 490 K CB -0.495 32.010 32.500 0.007 0.000 0.712 490 K HN 0.197 nan 8.250 nan 0.000 0.441 491 N N 1.169 119.854 118.700 -0.023 0.000 2.104 491 N HA -0.148 4.592 4.740 -0.001 0.000 0.190 491 N C 1.594 177.079 175.510 -0.041 0.000 1.024 491 N CA 1.918 54.949 53.050 -0.032 0.000 0.853 491 N CB 0.140 38.605 38.487 -0.036 0.000 1.008 491 N HN 0.146 nan 8.380 nan 0.000 0.424 492 V N -2.179 117.697 119.914 -0.064 0.000 3.647 492 V HA 0.245 4.364 4.120 -0.001 0.000 0.279 492 V C -0.080 175.968 176.094 -0.078 0.000 1.314 492 V CA 0.100 62.353 62.300 -0.078 0.000 1.125 492 V CB -0.554 31.201 31.823 -0.113 0.000 0.907 492 V HN 0.185 nan 8.190 nan 0.000 0.434 493 E N 0.075 120.242 120.200 -0.055 0.000 2.340 493 E HA -0.198 4.151 4.350 -0.001 0.000 0.240 493 E C -0.224 176.348 176.600 -0.046 0.000 1.154 493 E CA 0.607 56.984 56.400 -0.038 0.000 0.717 493 E CB -1.527 28.156 29.700 -0.028 0.000 1.250 493 E HN 0.711 nan 8.360 nan 0.000 0.386 494 I N 1.021 121.555 120.570 -0.059 0.000 2.377 494 I HA 0.143 4.312 4.170 -0.001 0.000 0.293 494 I C 0.481 176.556 176.117 -0.071 0.000 0.987 494 I CA -0.851 60.413 61.300 -0.060 0.000 1.185 494 I CB 1.162 39.069 38.000 -0.155 0.000 1.341 494 I HN -0.020 nan 8.210 nan 0.000 0.455 495 D N 9.129 129.503 120.400 -0.042 0.000 2.434 495 D HA 0.052 4.692 4.640 -0.001 0.000 0.252 495 D C -1.486 174.697 176.300 -0.195 0.000 1.185 495 D CA -1.791 52.166 54.000 -0.072 0.000 0.886 495 D CB 1.234 42.036 40.800 0.003 0.000 1.148 495 D HN 0.245 nan 8.370 nan 0.000 0.483 496 P HA -0.101 nan 4.420 nan 0.000 0.229 496 P C 1.229 178.401 177.300 -0.215 0.000 1.160 496 P CA 0.459 63.142 63.100 -0.694 0.000 0.777 496 P CB 0.382 31.701 31.700 -0.634 0.000 0.814 497 K N 0.986 121.349 120.400 -0.062 0.000 2.020 497 K HA -0.122 4.198 4.320 -0.001 0.000 0.212 497 K C -0.680 176.000 176.600 0.133 0.000 1.050 497 K CA 1.958 58.269 56.287 0.041 0.000 0.929 497 K CB -1.435 31.085 32.500 0.033 0.000 0.714 497 K HN 0.163 nan 8.250 nan 0.000 0.443 498 P HA -0.114 nan 4.420 nan 0.000 0.234 498 P C 0.029 177.167 177.300 -0.271 0.000 1.167 498 P CA 1.077 64.196 63.100 0.031 0.000 0.763 498 P CB -0.099 31.560 31.700 -0.069 0.000 0.835 499 Y N -1.270 118.835 120.300 -0.325 0.000 2.571 499 Y HA 0.078 4.628 4.550 -0.001 0.000 0.275 499 Y C 2.173 177.680 175.900 -0.654 0.000 1.179 499 Y CA -0.771 56.914 58.100 -0.691 0.000 1.242 499 Y CB -1.120 37.063 38.460 -0.463 0.000 1.126 499 Y HN -0.021 nan 8.280 nan 0.000 0.524 500 Y N -1.444 118.692 120.300 -0.273 0.000 2.165 500 Y HA -0.294 4.255 4.550 -0.001 0.000 0.286 500 Y C 1.980 177.900 175.900 0.034 0.000 1.155 500 Y CA 1.183 59.256 58.100 -0.045 0.000 1.164 500 Y CB -1.302 37.197 38.460 0.064 0.000 0.978 500 Y HN 0.313 nan 8.280 nan 0.000 0.513 501 W N -0.687 120.294 121.300 -0.532 0.000 2.402 501 W HA -0.181 4.478 4.660 -0.001 0.000 0.286 501 W C 1.823 178.374 176.519 0.053 0.000 1.221 501 W CA 0.818 58.006 57.345 -0.261 0.000 1.257 501 W CB -1.639 27.554 29.460 -0.444 0.000 1.120 501 W HN 0.249 nan 8.180 nan 0.000 0.551 502 Y N 1.738 121.784 120.300 -0.422 0.000 2.184 502 Y HA -0.126 4.423 4.550 -0.001 0.000 0.290 502 Y C 2.723 178.668 175.900 0.076 0.000 1.129 502 Y CA 2.006 60.012 58.100 -0.157 0.000 1.144 502 Y CB -0.600 37.604 38.460 -0.427 0.000 0.995 502 Y HN -0.243 nan 8.280 nan 0.000 0.513 503 L N -0.003 121.310 121.223 0.150 0.000 2.079 503 L HA -0.272 4.067 4.340 -0.001 0.000 0.210 503 L C 1.885 178.921 176.870 0.277 0.000 1.081 503 L CA 1.521 56.501 54.840 0.233 0.000 0.752 503 L CB -0.540 41.706 42.059 0.311 0.000 0.896 503 L HN 0.201 nan 8.230 nan 0.000 0.433 504 D N -0.673 119.890 120.400 0.272 0.000 2.221 504 D HA -0.175 4.465 4.640 -0.001 0.000 0.204 504 D C 2.313 178.802 176.300 0.315 0.000 0.982 504 D CA 0.745 54.955 54.000 0.350 0.000 0.857 504 D CB -0.071 40.940 40.800 0.352 0.000 0.934 504 D HN 0.309 nan 8.370 nan 0.000 0.475 505 Q N 0.069 119.977 119.800 0.179 0.000 2.170 505 Q HA -0.088 4.251 4.340 -0.001 0.000 0.203 505 Q C 2.013 178.101 176.000 0.146 0.000 0.976 505 Q CA 0.923 56.796 55.803 0.116 0.000 0.858 505 Q CB -0.161 28.569 28.738 -0.013 0.000 0.907 505 Q HN 0.199 nan 8.270 nan 0.000 0.433 506 R N -0.192 120.406 120.500 0.163 0.000 2.240 506 R HA 0.136 4.475 4.340 -0.001 0.000 0.203 506 R C 1.979 178.386 176.300 0.179 0.000 1.011 506 R CA 0.402 56.620 56.100 0.198 0.000 1.007 506 R CB -0.036 30.401 30.300 0.229 0.000 0.911 506 R HN 0.199 nan 8.270 nan 0.000 0.468 507 L N -1.838 119.484 121.223 0.165 0.000 2.408 507 L HA 0.157 4.497 4.340 -0.001 0.000 0.215 507 L C -0.027 176.771 176.870 -0.120 0.000 1.081 507 L CA 0.279 55.114 54.840 -0.008 0.000 0.840 507 L CB 0.260 42.284 42.059 -0.059 0.000 1.002 507 L HN 0.090 nan 8.230 nan 0.000 0.468 508 Y N 0.766 121.104 120.300 0.062 0.000 2.849 508 Y HA 0.457 5.006 4.550 -0.001 0.000 0.356 508 Y C 0.868 176.806 175.900 0.063 0.000 1.236 508 Y CA -0.629 57.505 58.100 0.057 0.000 1.508 508 Y CB 0.375 38.871 38.460 0.059 0.000 1.619 508 Y HN 0.132 nan 8.280 nan 0.000 0.513 509 G N 1.089 109.976 108.800 0.145 0.000 2.546 509 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.285 509 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.285 509 G C 0.153 175.144 174.900 0.152 0.000 1.105 509 G CA 0.156 45.344 45.100 0.147 0.000 1.189 509 G HN 0.507 nan 8.290 nan 0.000 0.534 510 T N -0.306 114.357 114.554 0.182 0.000 2.855 510 T HA 0.483 4.833 4.350 -0.001 0.000 0.314 510 T C 1.123 175.966 174.700 0.238 0.000 1.077 510 T CA 1.088 63.330 62.100 0.236 0.000 1.095 510 T CB 0.181 69.240 68.868 0.319 0.000 0.987 510 T HN 1.888 nan 8.240 nan 0.000 0.546 511 C N 3.813 123.208 119.300 0.158 0.000 3.086 511 C HA 0.788 5.247 4.460 -0.001 0.000 0.311 511 C C -3.108 171.671 174.990 -0.352 0.000 1.260 511 C CA -2.365 56.559 59.018 -0.157 0.000 1.426 511 C CB 1.057 28.371 27.740 -0.711 0.000 1.826 511 C HN 0.590 nan 8.230 nan 0.000 0.474 512 P HA 0.325 nan 4.420 nan 0.000 0.267 512 P C -0.637 176.386 177.300 -0.461 0.000 1.205 512 P CA 1.003 63.438 63.100 -1.109 0.000 0.765 512 P CB 0.119 31.202 31.700 -1.029 0.000 0.828 513 H N 0.740 119.585 119.070 -0.374 0.000 3.042 513 H HA 0.777 5.332 4.556 -0.001 0.000 0.346 513 H C -1.244 174.021 175.328 -0.104 0.000 1.294 513 H CA -1.157 54.755 56.048 -0.226 0.000 1.141 513 H CB 1.378 30.995 29.762 -0.241 0.000 1.872 513 H HN 0.587 nan 8.280 nan 0.000 0.541 514 G N -0.948 107.906 108.800 0.090 0.000 2.649 514 G HA2 0.629 4.588 3.960 -0.001 0.000 0.290 514 G HA3 0.629 4.588 3.960 -0.001 0.000 0.290 514 G C -1.143 173.835 174.900 0.130 0.000 1.426 514 G CA -0.357 44.794 45.100 0.085 0.000 0.794 514 G HN 0.973 nan 8.290 nan 0.000 0.483 515 G N -1.677 107.205 108.800 0.137 0.000 2.490 515 G HA2 0.819 4.778 3.960 -0.001 0.000 0.308 515 G HA3 0.819 4.778 3.960 -0.001 0.000 0.308 515 G C -1.642 173.376 174.900 0.197 0.000 1.286 515 G CA 0.181 45.347 45.100 0.110 0.000 0.825 515 G HN 1.865 nan 8.290 nan 0.000 0.479 516 Y N -2.531 117.829 120.300 0.100 0.000 2.689 516 Y HA 0.787 5.336 4.550 -0.001 0.000 0.333 516 Y C -0.149 175.802 175.900 0.086 0.000 1.208 516 Y CA -1.166 56.998 58.100 0.107 0.000 1.055 516 Y CB 1.197 39.732 38.460 0.125 0.000 1.304 516 Y HN 1.148 nan 8.280 nan 0.000 0.455 517 G N 1.470 110.479 108.800 0.348 0.000 2.590 517 G HA2 0.568 4.527 3.960 -0.001 0.000 0.310 517 G HA3 0.568 4.527 3.960 -0.001 0.000 0.310 517 G C -2.331 172.888 174.900 0.531 0.000 1.347 517 G CA -0.954 44.350 45.100 0.340 0.000 0.963 517 G HN 0.962 nan 8.290 nan 0.000 0.494 518 L N 2.660 124.192 121.223 0.514 0.000 2.307 518 L HA 0.799 5.138 4.340 -0.001 0.000 0.284 518 L C 0.654 177.769 176.870 0.408 0.000 1.023 518 L CA -0.789 54.282 54.840 0.385 0.000 0.810 518 L CB 1.616 43.849 42.059 0.291 0.000 1.231 518 L HN 0.534 nan 8.230 nan 0.000 0.423 519 G N 4.321 113.285 108.800 0.273 0.000 2.448 519 G HA2 0.239 4.198 3.960 -0.001 0.000 0.309 519 G HA3 0.239 4.198 3.960 -0.001 0.000 0.309 519 G C 0.472 175.517 174.900 0.242 0.000 1.027 519 G CA -0.449 44.779 45.100 0.215 0.000 1.104 519 G HN 0.745 nan 8.290 nan 0.000 0.428 520 L N 2.945 124.341 121.223 0.289 0.000 1.990 520 L HA -0.105 4.234 4.340 -0.001 0.000 0.213 520 L C 2.574 179.607 176.870 0.272 0.000 1.072 520 L CA 2.157 57.156 54.840 0.265 0.000 0.755 520 L CB -0.304 41.887 42.059 0.220 0.000 0.889 520 L HN 0.547 nan 8.230 nan 0.000 0.432 521 E N -0.485 119.837 120.200 0.204 0.000 2.058 521 E HA -0.216 4.133 4.350 -0.001 0.000 0.194 521 E C 2.302 178.972 176.600 0.118 0.000 0.997 521 E CA 1.598 58.085 56.400 0.145 0.000 0.801 521 E CB -0.280 29.487 29.700 0.112 0.000 0.746 521 E HN 0.405 nan 8.360 nan 0.000 0.450 522 R N -0.449 120.101 120.500 0.083 0.000 2.091 522 R HA -0.156 4.183 4.340 -0.001 0.000 0.238 522 R C 2.350 178.743 176.300 0.155 0.000 1.136 522 R CA 1.452 57.585 56.100 0.055 0.000 0.959 522 R CB -0.570 29.723 30.300 -0.013 0.000 0.856 522 R HN 0.231 nan 8.270 nan 0.000 0.437 523 F N 1.582 121.589 119.950 0.096 0.000 2.095 523 F HA -0.184 4.343 4.527 -0.001 0.000 0.298 523 F C 2.036 177.963 175.800 0.211 0.000 1.104 523 F CA 1.481 59.587 58.000 0.176 0.000 1.232 523 F CB -0.196 38.898 39.000 0.157 0.000 0.987 523 F HN -0.114 nan 8.300 nan 0.000 0.475 524 I N -0.703 119.975 120.570 0.179 0.000 2.286 524 I HA -0.341 3.828 4.170 -0.001 0.000 0.248 524 I C 2.484 178.548 176.117 -0.088 0.000 1.115 524 I CA 0.979 62.282 61.300 0.006 0.000 1.392 524 I CB -0.786 37.275 38.000 0.103 0.000 1.065 524 I HN 0.288 nan 8.210 nan 0.000 0.418 525 C N 0.019 119.310 119.300 -0.015 0.000 2.429 525 C HA -0.214 4.245 4.460 -0.001 0.000 0.277 525 C C 2.651 177.612 174.990 -0.048 0.000 1.262 525 C CA 0.493 59.493 59.018 -0.031 0.000 1.733 525 C CB -1.162 26.575 27.740 -0.006 0.000 2.010 525 C HN 0.780 nan 8.230 nan 0.000 0.483 526 W N 1.508 122.690 121.300 -0.197 0.000 2.332 526 W HA -0.158 4.501 4.660 -0.001 0.000 0.321 526 W C 2.201 178.575 176.519 -0.242 0.000 1.219 526 W CA 1.525 58.746 57.345 -0.206 0.000 1.277 526 W CB -1.012 28.311 29.460 -0.230 0.000 1.161 526 W HN 0.248 nan 8.180 nan 0.000 0.476 527 L N 1.349 122.142 121.223 -0.716 0.000 2.081 527 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 527 L C 2.440 178.827 176.870 -0.806 0.000 1.080 527 L CA 3.132 57.305 54.840 -1.111 0.000 0.754 527 L CB -1.177 40.344 42.059 -0.895 0.000 0.893 527 L HN 0.297 nan 8.230 nan 0.000 0.433 528 T N -4.738 109.528 114.554 -0.479 0.000 3.069 528 T HA 0.154 4.503 4.350 -0.001 0.000 0.252 528 T C 0.911 175.466 174.700 -0.243 0.000 1.053 528 T CA 0.296 62.197 62.100 -0.332 0.000 0.964 528 T CB -0.439 68.298 68.868 -0.218 0.000 1.005 528 T HN 0.370 nan 8.240 nan 0.000 0.532 529 N N 1.213 119.766 118.700 -0.245 0.000 2.714 529 N HA -0.140 4.600 4.740 -0.001 0.000 0.253 529 N C -1.105 174.344 175.510 -0.101 0.000 1.024 529 N CA 0.845 53.804 53.050 -0.152 0.000 0.726 529 N CB -1.687 36.720 38.487 -0.133 0.000 0.908 529 N HN 0.551 nan 8.380 nan 0.000 0.542 530 T N 0.135 114.637 114.554 -0.087 0.000 2.767 530 T HA 0.212 4.562 4.350 -0.001 0.000 0.284 530 T C 1.344 176.030 174.700 -0.024 0.000 0.973 530 T CA -0.690 61.381 62.100 -0.049 0.000 0.996 530 T CB 1.397 70.241 68.868 -0.040 0.000 0.927 530 T HN 0.287 nan 8.240 nan 0.000 0.456 531 N N 1.677 120.375 118.700 -0.004 0.000 2.080 531 N HA -0.110 4.630 4.740 -0.001 0.000 0.189 531 N C 0.250 175.765 175.510 0.009 0.000 1.036 531 N CA 0.974 54.027 53.050 0.004 0.000 0.846 531 N CB 0.164 38.664 38.487 0.021 0.000 1.015 531 N HN 0.556 nan 8.380 nan 0.000 0.423 532 H N 0.671 119.724 119.070 -0.030 0.000 2.459 532 H HA 0.142 4.698 4.556 -0.001 0.000 0.332 532 H C 1.086 176.400 175.328 -0.023 0.000 1.094 532 H CA -0.351 55.676 56.048 -0.035 0.000 1.224 532 H CB 1.515 31.255 29.762 -0.036 0.000 1.449 532 H HN 0.120 nan 8.280 nan 0.000 0.484 533 I N 5.051 125.626 120.570 0.008 0.000 2.315 533 I HA -0.306 3.863 4.170 -0.001 0.000 0.251 533 I C 2.560 178.796 176.117 0.198 0.000 1.125 533 I CA 1.235 62.577 61.300 0.070 0.000 1.392 533 I CB -0.042 37.939 38.000 -0.031 0.000 1.065 533 I HN 0.635 nan 8.210 nan 0.000 0.424 534 R N 0.027 120.752 120.500 0.376 0.000 2.200 534 R HA -0.183 4.156 4.340 -0.001 0.000 0.234 534 R C 1.176 177.567 176.300 0.153 0.000 1.127 534 R CA 1.702 57.959 56.100 0.262 0.000 0.989 534 R CB -0.752 29.674 30.300 0.211 0.000 0.869 534 R HN 0.392 nan 8.270 nan 0.000 0.459 535 D N 1.269 121.743 120.400 0.122 0.000 2.363 535 D HA -0.038 4.601 4.640 -0.001 0.000 0.220 535 D C 1.532 177.859 176.300 0.045 0.000 0.994 535 D CA 1.103 55.142 54.000 0.065 0.000 0.890 535 D CB 0.695 41.524 40.800 0.048 0.000 0.906 535 D HN 0.340 nan 8.370 nan 0.000 0.530 536 V N -1.827 118.122 119.914 0.059 0.000 3.542 536 V HA 0.232 4.351 4.120 -0.001 0.000 0.296 536 V C 0.602 176.723 176.094 0.045 0.000 1.364 536 V CA -0.507 61.818 62.300 0.043 0.000 1.118 536 V CB -0.754 31.098 31.823 0.048 0.000 0.972 536 V HN -0.051 nan 8.190 nan 0.000 0.430 537 C N -0.195 119.135 119.300 0.049 0.000 2.358 537 C HA 0.638 5.097 4.460 -0.001 0.000 0.354 537 C C 1.440 176.397 174.990 -0.055 0.000 1.183 537 C CA -0.347 58.691 59.018 0.034 0.000 2.150 537 C CB 1.700 29.494 27.740 0.090 0.000 2.361 537 C HN 0.551 nan 8.230 nan 0.000 0.535 538 L N 1.317 122.465 121.223 -0.124 0.000 1.961 538 L HA 0.080 4.419 4.340 -0.001 0.000 0.209 538 L C -0.022 176.488 176.870 -0.601 0.000 1.075 538 L CA 1.857 56.464 54.840 -0.388 0.000 0.749 538 L CB -0.357 41.489 42.059 -0.355 0.000 0.890 538 L HN 0.750 nan 8.230 nan 0.000 0.433 539 Y N 0.893 121.223 120.300 0.051 0.000 2.488 539 Y HA 0.410 4.960 4.550 -0.001 0.000 0.330 539 Y C -2.119 173.804 175.900 0.038 0.000 1.013 539 Y CA -2.519 55.604 58.100 0.038 0.000 1.304 539 Y CB 0.384 38.853 38.460 0.015 0.000 1.098 539 Y HN 0.181 nan 8.280 nan 0.000 0.498 540 P HA 0.257 nan 4.420 nan 0.000 0.274 540 P C -0.612 176.708 177.300 0.034 0.000 1.231 540 P CA -0.444 62.757 63.100 0.168 0.000 0.790 540 P CB 1.206 33.087 31.700 0.302 0.000 0.951 541 R N 2.251 122.804 120.500 0.088 0.000 2.437 541 R HA 0.644 4.983 4.340 -0.001 0.000 0.310 541 R C -0.250 176.133 176.300 0.139 0.000 0.955 541 R CA -0.417 55.674 56.100 -0.014 0.000 0.851 541 R CB 0.888 31.237 30.300 0.081 0.000 1.161 541 R HN 0.630 nan 8.270 nan 0.000 0.446 542 F N -1.910 118.133 119.950 0.155 0.000 2.817 542 F HA 0.320 4.846 4.527 -0.001 0.000 0.317 542 F C -0.422 175.465 175.800 0.145 0.000 1.168 542 F CA -1.488 56.611 58.000 0.165 0.000 0.911 542 F CB 0.460 39.553 39.000 0.156 0.000 1.337 542 F HN 0.076 nan 8.300 nan 0.000 0.464 543 V N 2.825 122.996 119.914 0.428 0.000 2.506 543 V HA 0.352 4.471 4.120 -0.001 0.000 0.296 543 V C 0.978 177.218 176.094 0.243 0.000 1.004 543 V CA 1.959 64.423 62.300 0.274 0.000 1.150 543 V CB 0.082 32.032 31.823 0.212 0.000 0.911 543 V HN 2.076 nan 8.190 nan 0.000 0.476 544 G N 5.019 113.892 108.800 0.122 0.000 2.194 544 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.236 544 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.236 544 G C 0.336 175.225 174.900 -0.019 0.000 0.987 544 G CA 0.349 45.495 45.100 0.077 0.000 0.635 544 G HN 1.093 nan 8.290 nan 0.000 0.520 545 R N -0.713 119.689 120.500 -0.164 0.000 2.451 545 R HA 0.612 4.951 4.340 -0.001 0.000 0.307 545 R C -0.325 175.824 176.300 -0.252 0.000 0.965 545 R CA -0.125 55.791 56.100 -0.308 0.000 0.865 545 R CB 0.992 30.854 30.300 -0.730 0.000 1.174 545 R HN 0.351 nan 8.270 nan 0.000 0.455 546 C N 5.016 124.227 119.300 -0.148 0.000 3.144 546 C HA 0.458 4.918 4.460 -0.001 0.000 0.253 546 C C -0.999 173.930 174.990 -0.101 0.000 2.010 546 C CA -0.213 58.740 59.018 -0.109 0.000 1.698 546 C CB -0.155 27.538 27.740 -0.078 0.000 3.346 546 C HN 0.565 nan 8.230 nan 0.000 0.449 547 V N 1.880 121.726 119.914 -0.113 0.000 3.012 547 V HA 0.601 4.721 4.120 -0.001 0.000 0.307 547 V C -2.390 173.641 176.094 -0.105 0.000 1.166 547 V CA -1.402 60.827 62.300 -0.118 0.000 0.974 547 V CB 2.818 34.582 31.823 -0.099 0.000 1.040 547 V HN 0.198 nan 8.190 nan 0.000 0.428 548 P HA 0.000 nan 4.420 nan 0.000 0.216 548 P CA 0.000 62.880 63.100 -0.367 0.000 0.800 548 P CB 0.000 31.266 31.700 -0.723 0.000 0.726