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 1q9m_1_A DATA FIRST_RESID 79 DATA SEQUENCE IPRFGVKTEQ EDVLAKELED VNKWGLHVFR IAELSGNRPL TVIMHTIFQE DATA SEQUENCE RDLLKTFKIP VDTLITYLMT LEDHYHADVA YHNNIHAADV VQSTHVLLST DATA SEQUENCE PALEAVFTDL EILAAIFASA IHDVDHPGVS NQFLINTNSE LALMYNDSSV DATA SEQUENCE LENHHLAVGF KLLQEENCDI FQNLTKKQRQ SLRKMVIDIV LATDMSKHMN DATA SEQUENCE LLADLKTMVE TKKVTSSGVL LLDNYSDRIQ VLQNMVHCAD LSNPTKPLQL DATA SEQUENCE YRQWTDRIME EFFRQGDRER ERGMEISPMC DKHNASVEKS QVGFIDYIVH DATA SEQUENCE PLWETWADLV HPDAQDILDT LEDNREWYQS TIPQ 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 79 I HA 0.000 nan 4.170 nan 0.000 0.288 79 I C 0.000 176.089 176.117 -0.046 0.000 1.063 79 I CA 0.000 61.273 61.300 -0.044 0.000 1.566 79 I CB 0.000 37.977 38.000 -0.038 0.000 1.214 80 P HA 0.327 nan 4.420 nan 0.000 0.293 80 P C -1.093 176.159 177.300 -0.081 0.000 1.298 80 P CA 0.019 63.094 63.100 -0.040 0.000 0.757 80 P CB 0.363 32.052 31.700 -0.019 0.000 1.262 81 R N -1.694 118.758 120.500 -0.080 0.000 2.659 81 R HA 0.450 4.788 4.340 -0.004 0.000 0.290 81 R C -1.165 175.085 176.300 -0.084 0.000 1.253 81 R CA -0.686 55.282 56.100 -0.219 0.000 1.010 81 R CB -0.247 29.918 30.300 -0.225 0.000 1.236 81 R HN 0.214 nan 8.270 nan 0.000 0.413 82 F N 1.873 121.823 119.950 -0.000 0.000 2.795 82 F HA -0.187 4.337 4.527 -0.004 0.000 0.297 82 F C 1.323 177.124 175.800 0.002 0.000 0.699 82 F CA 1.489 59.489 58.000 0.001 0.000 1.384 82 F CB -1.735 37.266 39.000 0.001 0.000 1.672 82 F HN 1.156 nan 8.300 nan 0.000 0.345 83 G N -1.101 107.779 108.800 0.133 0.000 2.157 83 G HA2 -0.055 3.902 3.960 -0.004 0.000 0.248 83 G HA3 -0.055 3.902 3.960 -0.004 0.000 0.248 83 G C -0.183 174.763 174.900 0.075 0.000 0.979 83 G CA -0.069 45.084 45.100 0.088 0.000 0.650 83 G HN 0.909 nan 8.290 nan 0.000 0.529 84 V N 0.508 120.474 119.914 0.086 0.000 2.680 84 V HA 0.493 4.611 4.120 -0.004 0.000 0.309 84 V C 0.721 176.841 176.094 0.044 0.000 1.052 84 V CA -1.314 61.026 62.300 0.067 0.000 0.908 84 V CB 1.862 33.736 31.823 0.084 0.000 1.001 84 V HN 0.339 nan 8.190 nan 0.000 0.431 85 K N 1.429 121.848 120.400 0.032 0.000 2.440 85 K HA 0.216 4.534 4.320 -0.004 0.000 0.270 85 K C 0.283 176.893 176.600 0.017 0.000 0.980 85 K CA 0.063 56.361 56.287 0.019 0.000 0.953 85 K CB 0.232 32.743 32.500 0.018 0.000 0.925 85 K HN 0.716 nan 8.250 nan 0.000 0.497 86 T N 1.711 116.268 114.554 0.005 0.000 2.849 86 T HA -0.020 4.327 4.350 -0.004 0.000 0.284 86 T C 1.571 176.275 174.700 0.006 0.000 1.004 86 T CA -0.498 61.603 62.100 0.002 0.000 1.021 86 T CB 1.057 69.919 68.868 -0.010 0.000 1.013 86 T HN 0.709 nan 8.240 nan 0.000 0.527 87 E N 1.333 121.536 120.200 0.006 0.000 2.085 87 E HA -0.260 4.087 4.350 -0.004 0.000 0.194 87 E C 1.832 178.435 176.600 0.005 0.000 0.994 87 E CA 1.613 58.017 56.400 0.007 0.000 0.801 87 E CB -0.163 29.541 29.700 0.006 0.000 0.743 87 E HN 0.631 nan 8.360 nan 0.000 0.453 88 Q N 0.446 120.246 119.800 0.000 0.000 2.050 88 Q HA -0.174 4.163 4.340 -0.004 0.000 0.202 88 Q C 2.252 178.252 176.000 -0.000 0.000 0.980 88 Q CA 1.799 57.601 55.803 -0.001 0.000 0.840 88 Q CB -0.110 28.624 28.738 -0.007 0.000 0.898 88 Q HN 0.529 nan 8.270 nan 0.000 0.424 89 E N 0.784 120.983 120.200 -0.002 0.000 2.077 89 E HA -0.220 4.127 4.350 -0.004 0.000 0.193 89 E C 1.620 178.224 176.600 0.006 0.000 0.989 89 E CA 1.314 57.714 56.400 -0.001 0.000 0.800 89 E CB -0.074 29.624 29.700 -0.002 0.000 0.746 89 E HN 0.309 nan 8.360 nan 0.000 0.452 90 D N 0.341 120.746 120.400 0.009 0.000 2.097 90 D HA -0.147 4.491 4.640 -0.004 0.000 0.195 90 D C 1.921 178.229 176.300 0.013 0.000 0.989 90 D CA 1.019 55.027 54.000 0.013 0.000 0.827 90 D CB 0.105 40.913 40.800 0.014 0.000 0.966 90 D HN -0.047 nan 8.370 nan 0.000 0.456 91 V N 0.752 120.673 119.914 0.011 0.000 2.407 91 V HA -0.192 3.926 4.120 -0.004 0.000 0.248 91 V C 2.576 178.678 176.094 0.014 0.000 1.055 91 V CA 1.328 63.636 62.300 0.013 0.000 1.049 91 V CB -0.543 31.287 31.823 0.012 0.000 0.662 91 V HN 0.366 nan 8.190 nan 0.000 0.455 92 L N 0.059 121.288 121.223 0.010 0.000 2.027 92 L HA -0.152 4.186 4.340 -0.004 0.000 0.206 92 L C 2.620 179.497 176.870 0.011 0.000 1.074 92 L CA 1.818 56.664 54.840 0.009 0.000 0.745 92 L CB -0.553 41.508 42.059 0.003 0.000 0.898 92 L HN 0.350 nan 8.230 nan 0.000 0.433 93 A N 0.099 122.927 122.820 0.013 0.000 1.908 93 A HA -0.267 4.051 4.320 -0.004 0.000 0.218 93 A C 2.214 179.806 177.584 0.014 0.000 1.181 93 A CA 2.053 54.100 52.037 0.017 0.000 0.627 93 A CB -0.433 18.579 19.000 0.020 0.000 0.818 93 A HN 0.473 nan 8.150 nan 0.000 0.445 94 K N -0.651 119.757 120.400 0.013 0.000 2.148 94 K HA -0.093 4.225 4.320 -0.004 0.000 0.204 94 K C 1.879 178.481 176.600 0.002 0.000 1.050 94 K CA 1.163 57.456 56.287 0.010 0.000 0.942 94 K CB -0.084 32.423 32.500 0.012 0.000 0.724 94 K HN 0.392 nan 8.250 nan 0.000 0.446 95 E N 1.078 121.281 120.200 0.005 0.000 2.106 95 E HA -0.096 4.252 4.350 -0.004 0.000 0.192 95 E C 1.946 178.535 176.600 -0.018 0.000 0.984 95 E CA 0.812 57.209 56.400 -0.005 0.000 0.806 95 E CB -0.055 29.656 29.700 0.017 0.000 0.750 95 E HN 0.306 nan 8.360 nan 0.000 0.458 96 L N 0.856 122.078 121.223 -0.003 0.000 2.549 96 L HA -0.118 4.220 4.340 -0.004 0.000 0.229 96 L C 1.890 178.763 176.870 0.005 0.000 1.158 96 L CA 0.576 55.416 54.840 0.000 0.000 0.842 96 L CB -0.222 41.844 42.059 0.012 0.000 0.952 96 L HN 0.063 nan 8.230 nan 0.000 0.452 97 E N -0.153 120.047 120.200 0.001 0.000 2.409 97 E HA -0.156 4.191 4.350 -0.004 0.000 0.198 97 E C 0.566 177.169 176.600 0.006 0.000 1.024 97 E CA 0.542 56.947 56.400 0.007 0.000 0.861 97 E CB 0.148 29.851 29.700 0.004 0.000 0.788 97 E HN 0.419 nan 8.360 nan 0.000 0.521 98 D N -0.261 120.131 120.400 -0.014 0.000 2.358 98 D HA 0.009 4.647 4.640 -0.004 0.000 0.224 98 D C 1.226 177.535 176.300 0.015 0.000 1.123 98 D CA 0.080 54.069 54.000 -0.018 0.000 0.833 98 D CB 0.727 41.476 40.800 -0.085 0.000 0.946 98 D HN 0.002 nan 8.370 nan 0.000 0.505 99 V N 1.153 121.093 119.914 0.043 0.000 2.594 99 V HA -0.189 3.928 4.120 -0.004 0.000 0.253 99 V C 1.629 177.841 176.094 0.198 0.000 1.069 99 V CA 1.205 63.559 62.300 0.090 0.000 1.082 99 V CB -0.278 31.582 31.823 0.063 0.000 0.680 99 V HN 0.280 nan 8.190 nan 0.000 0.469 100 N N 0.141 118.937 118.700 0.160 0.000 2.322 100 N HA 0.082 4.820 4.740 -0.004 0.000 0.194 100 N C 0.269 175.834 175.510 0.093 0.000 1.126 100 N CA 0.258 53.384 53.050 0.127 0.000 0.845 100 N CB 0.299 38.841 38.487 0.093 0.000 0.976 100 N HN 0.550 nan 8.380 nan 0.000 0.475 101 K N -0.149 120.310 120.400 0.099 0.000 2.270 101 K HA 0.189 4.507 4.320 -0.004 0.000 0.255 101 K C -0.609 176.091 176.600 0.167 0.000 0.936 101 K CA -0.696 55.661 56.287 0.116 0.000 0.809 101 K CB 1.979 34.516 32.500 0.061 0.000 1.131 101 K HN 0.055 nan 8.250 nan 0.000 0.427 102 W N 2.386 123.676 121.300 -0.017 0.000 2.368 102 W HA 0.120 4.777 4.660 -0.004 0.000 0.316 102 W C 0.365 176.875 176.519 -0.016 0.000 1.375 102 W CA 1.298 58.628 57.345 -0.024 0.000 1.261 102 W CB 0.640 30.072 29.460 -0.046 0.000 1.298 102 W HN 0.984 nan 8.180 nan 0.000 0.539 103 G N 4.443 113.137 108.800 -0.177 0.000 2.143 103 G HA2 -0.271 3.686 3.960 -0.004 0.000 0.175 103 G HA3 -0.271 3.686 3.960 -0.004 0.000 0.175 103 G C -0.504 174.383 174.900 -0.022 0.000 1.004 103 G CA -0.287 44.768 45.100 -0.075 0.000 0.671 103 G HN 0.597 nan 8.290 nan 0.000 0.512 104 L N 1.482 122.663 121.223 -0.070 0.000 2.543 104 L HA 0.309 4.646 4.340 -0.004 0.000 0.285 104 L C 0.944 177.831 176.870 0.029 0.000 1.236 104 L CA 0.293 55.091 54.840 -0.071 0.000 0.871 104 L CB -0.055 41.964 42.059 -0.066 0.000 1.121 104 L HN 0.359 nan 8.230 nan 0.000 0.501 105 H N 4.484 123.537 119.070 -0.028 0.000 3.195 105 H HA 0.028 4.581 4.556 -0.004 0.000 0.241 105 H C 1.207 176.500 175.328 -0.059 0.000 1.823 105 H CA -0.156 55.881 56.048 -0.018 0.000 1.466 105 H CB 0.451 30.213 29.762 -0.000 0.000 1.819 105 H HN 0.663 nan 8.280 nan 0.000 0.575 106 V N 2.221 122.118 119.914 -0.029 0.000 2.490 106 V HA -0.282 3.835 4.120 -0.004 0.000 0.250 106 V C 1.423 177.357 176.094 -0.267 0.000 1.061 106 V CA 1.778 63.965 62.300 -0.189 0.000 1.064 106 V CB -0.443 31.212 31.823 -0.280 0.000 0.670 106 V HN 0.548 nan 8.190 nan 0.000 0.461 107 F N 0.338 120.246 119.950 -0.071 0.000 2.259 107 F HA 0.016 4.540 4.527 -0.004 0.000 0.298 107 F C 2.474 178.224 175.800 -0.084 0.000 1.088 107 F CA 1.611 59.533 58.000 -0.129 0.000 1.358 107 F CB -0.666 38.199 39.000 -0.225 0.000 1.040 107 F HN 0.132 nan 8.300 nan 0.000 0.505 108 R N 1.239 121.804 120.500 0.109 0.000 2.075 108 R HA -0.092 4.245 4.340 -0.004 0.000 0.232 108 R C 1.974 178.298 176.300 0.040 0.000 1.126 108 R CA 1.580 57.718 56.100 0.065 0.000 0.963 108 R CB -1.025 29.328 30.300 0.088 0.000 0.858 108 R HN 0.325 nan 8.270 nan 0.000 0.435 109 I N 0.451 121.037 120.570 0.026 0.000 2.361 109 I HA -0.216 3.952 4.170 -0.004 0.000 0.251 109 I C 2.174 178.281 176.117 -0.017 0.000 1.133 109 I CA 1.224 62.523 61.300 -0.002 0.000 1.413 109 I CB -0.424 37.564 38.000 -0.021 0.000 1.073 109 I HN 0.327 nan 8.210 nan 0.000 0.424 110 A N 0.581 123.387 122.820 -0.023 0.000 1.930 110 A HA -0.200 4.117 4.320 -0.004 0.000 0.217 110 A C 2.179 179.759 177.584 -0.007 0.000 1.175 110 A CA 1.523 53.546 52.037 -0.023 0.000 0.627 110 A CB -0.422 18.568 19.000 -0.017 0.000 0.815 110 A HN 0.447 nan 8.150 nan 0.000 0.443 111 E N -0.083 120.121 120.200 0.006 0.000 2.046 111 E HA -0.074 4.274 4.350 -0.004 0.000 0.190 111 E C 1.953 178.550 176.600 -0.005 0.000 0.982 111 E CA 0.977 57.377 56.400 0.000 0.000 0.800 111 E CB -0.302 29.399 29.700 0.002 0.000 0.756 111 E HN 0.585 nan 8.360 nan 0.000 0.449 112 L N 1.293 122.515 121.223 -0.002 0.000 2.079 112 L HA -0.161 4.176 4.340 -0.004 0.000 0.210 112 L C 2.506 179.369 176.870 -0.011 0.000 1.081 112 L CA 1.365 56.202 54.840 -0.004 0.000 0.752 112 L CB -0.486 41.575 42.059 0.003 0.000 0.896 112 L HN 0.187 nan 8.230 nan 0.000 0.433 113 S N -0.635 115.055 115.700 -0.016 0.000 2.603 113 S HA 0.148 4.616 4.470 -0.004 0.000 0.220 113 S C 1.369 175.953 174.600 -0.027 0.000 0.967 113 S CA 0.250 58.435 58.200 -0.024 0.000 0.920 113 S CB 0.109 63.291 63.200 -0.031 0.000 0.773 113 S HN 0.543 nan 8.310 nan 0.000 0.529 114 G N 1.975 110.762 108.800 -0.021 0.000 2.225 114 G HA2 -0.325 3.633 3.960 -0.004 0.000 0.264 114 G HA3 -0.325 3.633 3.960 -0.004 0.000 0.264 114 G C 0.190 175.077 174.900 -0.022 0.000 1.060 114 G CA 0.082 45.169 45.100 -0.021 0.000 0.833 114 G HN 1.060 nan 8.290 nan 0.000 0.498 115 N N -1.316 117.371 118.700 -0.021 0.000 2.783 115 N HA -0.189 4.548 4.740 -0.004 0.000 0.247 115 N C 0.705 176.195 175.510 -0.032 0.000 1.089 115 N CA 1.665 54.702 53.050 -0.021 0.000 0.690 115 N CB -0.650 37.830 38.487 -0.012 0.000 0.991 115 N HN 0.766 nan 8.380 nan 0.000 0.552 116 R N -0.352 120.123 120.500 -0.041 0.000 2.776 116 R HA 0.200 4.538 4.340 -0.004 0.000 0.391 116 R C -1.750 174.512 176.300 -0.063 0.000 1.116 116 R CA -0.811 55.258 56.100 -0.053 0.000 1.056 116 R CB 0.818 31.088 30.300 -0.051 0.000 1.369 116 R HN 0.335 nan 8.270 nan 0.000 0.590 117 P HA -0.186 nan 4.420 nan 0.000 0.215 117 P C 1.377 178.617 177.300 -0.101 0.000 1.153 117 P CA 0.820 63.869 63.100 -0.086 0.000 0.853 117 P CB 0.374 32.011 31.700 -0.106 0.000 0.788 118 L N -0.210 120.936 121.223 -0.129 0.000 2.056 118 L HA -0.073 4.265 4.340 -0.004 0.000 0.207 118 L C 2.339 179.149 176.870 -0.100 0.000 1.078 118 L CA 2.174 56.927 54.840 -0.144 0.000 0.749 118 L CB -1.632 40.301 42.059 -0.211 0.000 0.901 118 L HN -0.077 nan 8.230 nan 0.000 0.433 119 T N -0.750 113.752 114.554 -0.087 0.000 2.668 119 T HA -0.160 4.188 4.350 -0.004 0.000 0.262 119 T C 1.947 176.625 174.700 -0.036 0.000 1.045 119 T CA 2.095 64.152 62.100 -0.071 0.000 1.152 119 T CB -0.541 68.281 68.868 -0.077 0.000 0.864 119 T HN 0.378 nan 8.240 nan 0.000 0.419 120 V N 0.465 120.359 119.914 -0.034 0.000 2.343 120 V HA -0.099 4.019 4.120 -0.004 0.000 0.247 120 V C 2.281 178.395 176.094 0.032 0.000 1.051 120 V CA 1.514 63.816 62.300 0.004 0.000 1.036 120 V CB -1.093 30.721 31.823 -0.014 0.000 0.654 120 V HN 0.475 nan 8.190 nan 0.000 0.451 121 I N -0.764 119.799 120.570 -0.012 0.000 2.252 121 I HA -0.160 4.007 4.170 -0.004 0.000 0.245 121 I C 2.877 178.990 176.117 -0.007 0.000 1.102 121 I CA 1.748 63.035 61.300 -0.021 0.000 1.385 121 I CB -0.290 37.677 38.000 -0.054 0.000 1.064 121 I HN 0.277 nan 8.210 nan 0.000 0.414 122 M N -0.321 119.275 119.600 -0.008 0.000 2.117 122 M HA -0.238 4.239 4.480 -0.004 0.000 0.262 122 M C 2.413 178.726 176.300 0.021 0.000 1.065 122 M CA 1.861 57.163 55.300 0.004 0.000 1.114 122 M CB -1.396 31.145 32.600 -0.098 0.000 1.361 122 M HN 0.292 nan 8.290 nan 0.000 0.408 123 H N 0.181 119.203 119.070 -0.080 0.000 2.321 123 H HA -0.099 4.455 4.556 -0.004 0.000 0.300 123 H C 1.799 177.155 175.328 0.047 0.000 1.087 123 H CA 2.631 58.655 56.048 -0.039 0.000 1.319 123 H CB -0.109 29.625 29.762 -0.046 0.000 1.379 123 H HN 0.248 nan 8.280 nan 0.000 0.501 124 T N 0.541 115.113 114.554 0.031 0.000 2.720 124 T HA -0.133 4.214 4.350 -0.004 0.000 0.268 124 T C 2.176 176.841 174.700 -0.058 0.000 1.037 124 T CA 1.660 63.745 62.100 -0.024 0.000 1.144 124 T CB -0.266 68.609 68.868 0.011 0.000 0.864 124 T HN 0.300 nan 8.240 nan 0.000 0.444 125 I N -0.125 120.416 120.570 -0.049 0.000 2.252 125 I HA -0.093 4.075 4.170 -0.004 0.000 0.245 125 I C 1.953 178.093 176.117 0.038 0.000 1.102 125 I CA 1.106 62.327 61.300 -0.131 0.000 1.385 125 I CB -0.296 37.580 38.000 -0.206 0.000 1.064 125 I HN 0.144 nan 8.210 nan 0.000 0.414 126 F N 1.175 121.060 119.950 -0.109 0.000 2.171 126 F HA -0.205 4.319 4.527 -0.005 0.000 0.300 126 F C 2.647 178.402 175.800 -0.074 0.000 1.090 126 F CA 1.383 59.352 58.000 -0.051 0.000 1.293 126 F CB -0.587 38.395 39.000 -0.031 0.000 1.013 126 F HN 0.128 nan 8.300 nan 0.000 0.486 127 Q N -0.758 119.049 119.800 0.012 0.000 2.187 127 Q HA -0.168 4.169 4.340 -0.004 0.000 0.199 127 Q C 1.967 177.958 176.000 -0.016 0.000 0.957 127 Q CA 1.110 56.885 55.803 -0.047 0.000 0.857 127 Q CB -0.185 28.460 28.738 -0.154 0.000 0.929 127 Q HN 0.303 nan 8.270 nan 0.000 0.453 128 E N 1.409 121.602 120.200 -0.012 0.000 2.106 128 E HA -0.107 4.240 4.350 -0.004 0.000 0.192 128 E C 1.309 177.932 176.600 0.038 0.000 0.984 128 E CA 1.096 57.507 56.400 0.019 0.000 0.806 128 E CB 0.177 29.893 29.700 0.026 0.000 0.750 128 E HN 0.116 nan 8.360 nan 0.000 0.458 129 R N -0.057 120.455 120.500 0.021 0.000 2.317 129 R HA 0.064 4.402 4.340 -0.004 0.000 0.208 129 R C -0.008 176.290 176.300 -0.003 0.000 0.914 129 R CA 0.628 56.741 56.100 0.021 0.000 1.060 129 R CB 0.184 30.487 30.300 0.005 0.000 1.015 129 R HN 0.091 nan 8.270 nan 0.000 0.498 130 D N 0.103 120.503 120.400 -0.001 0.000 2.837 130 D HA -0.191 4.447 4.640 -0.004 0.000 0.230 130 D C 0.424 176.723 176.300 -0.003 0.000 1.152 130 D CA 0.450 54.450 54.000 -0.001 0.000 0.736 130 D CB -0.965 39.828 40.800 -0.010 0.000 1.084 130 D HN 0.265 nan 8.370 nan 0.000 0.429 131 L N -0.681 120.542 121.223 -0.001 0.000 2.275 131 L HA -0.086 4.252 4.340 -0.004 0.000 0.215 131 L C 2.319 179.309 176.870 0.200 0.000 1.119 131 L CA 0.494 55.364 54.840 0.051 0.000 0.790 131 L CB -0.212 41.688 42.059 -0.265 0.000 0.919 131 L HN 0.235 nan 8.230 nan 0.000 0.443 132 L N -0.444 120.888 121.223 0.182 0.000 2.027 132 L HA -0.186 4.152 4.340 -0.004 0.000 0.206 132 L C 2.574 179.518 176.870 0.124 0.000 1.074 132 L CA 1.606 56.565 54.840 0.199 0.000 0.745 132 L CB -0.459 41.694 42.059 0.157 0.000 0.898 132 L HN 0.088 nan 8.230 nan 0.000 0.433 133 K N -0.863 119.571 120.400 0.056 0.000 2.025 133 K HA -0.099 4.218 4.320 -0.004 0.000 0.207 133 K C 2.107 178.676 176.600 -0.052 0.000 1.049 133 K CA 1.752 58.044 56.287 0.009 0.000 0.933 133 K CB -0.354 32.140 32.500 -0.010 0.000 0.714 133 K HN 0.263 nan 8.250 nan 0.000 0.438 134 T N 0.734 115.204 114.554 -0.139 0.000 2.699 134 T HA -0.144 4.204 4.350 -0.004 0.000 0.268 134 T C 1.074 175.458 174.700 -0.526 0.000 1.036 134 T CA 1.419 63.278 62.100 -0.403 0.000 1.147 134 T CB -0.161 68.324 68.868 -0.637 0.000 0.862 134 T HN 0.098 nan 8.240 nan 0.000 0.446 135 F N 0.681 120.652 119.950 0.036 0.000 2.668 135 F HA 0.370 4.895 4.527 -0.003 0.000 0.301 135 F C 0.368 176.208 175.800 0.066 0.000 1.106 135 F CA -0.764 57.271 58.000 0.057 0.000 1.289 135 F CB 0.117 39.171 39.000 0.089 0.000 1.006 135 F HN -0.213 nan 8.300 nan 0.000 0.535 136 K N 1.096 121.589 120.400 0.155 0.000 3.311 136 K HA -0.211 4.106 4.320 -0.004 0.000 0.270 136 K C -0.433 176.245 176.600 0.130 0.000 0.927 136 K CA 0.595 56.951 56.287 0.115 0.000 0.706 136 K CB -2.234 30.318 32.500 0.087 0.000 1.418 136 K HN 0.450 nan 8.250 nan 0.000 0.459 137 I N 2.476 123.139 120.570 0.154 0.000 2.297 137 I HA 0.133 4.300 4.170 -0.004 0.000 0.291 137 I C -1.508 174.664 176.117 0.092 0.000 1.033 137 I CA -2.151 59.223 61.300 0.123 0.000 1.253 137 I CB 0.819 38.921 38.000 0.169 0.000 1.396 137 I HN -0.090 nan 8.210 nan 0.000 0.476 138 P HA 0.018 nan 4.420 nan 0.000 0.268 138 P C 1.114 178.450 177.300 0.061 0.000 1.205 138 P CA -0.148 62.985 63.100 0.055 0.000 0.771 138 P CB 1.162 32.885 31.700 0.039 0.000 0.858 139 V N 2.658 122.616 119.914 0.073 0.000 2.287 139 V HA -0.276 3.842 4.120 -0.004 0.000 0.248 139 V C 2.228 178.358 176.094 0.060 0.000 1.053 139 V CA 2.522 64.878 62.300 0.093 0.000 1.027 139 V CB -1.340 30.547 31.823 0.107 0.000 0.646 139 V HN 0.589 nan 8.190 nan 0.000 0.447 140 D N 0.039 120.461 120.400 0.037 0.000 2.144 140 D HA -0.171 4.467 4.640 -0.004 0.000 0.199 140 D C 1.935 178.246 176.300 0.019 0.000 0.984 140 D CA 1.852 55.862 54.000 0.018 0.000 0.834 140 D CB -0.839 39.969 40.800 0.014 0.000 0.955 140 D HN 0.451 nan 8.370 nan 0.000 0.465 141 T N 1.046 115.613 114.554 0.023 0.000 2.777 141 T HA -0.098 4.250 4.350 -0.004 0.000 0.266 141 T C 1.893 176.606 174.700 0.023 0.000 1.040 141 T CA 0.924 63.035 62.100 0.018 0.000 1.141 141 T CB -0.344 68.524 68.868 -0.000 0.000 0.868 141 T HN 0.077 nan 8.240 nan 0.000 0.444 142 L N 1.155 122.386 121.223 0.013 0.000 2.017 142 L HA 0.050 4.387 4.340 -0.004 0.000 0.208 142 L C 2.146 179.024 176.870 0.014 0.000 1.073 142 L CA 1.569 56.405 54.840 -0.006 0.000 0.745 142 L CB -0.691 41.367 42.059 -0.002 0.000 0.894 142 L HN 0.255 nan 8.230 nan 0.000 0.432 143 I N -1.041 119.534 120.570 0.008 0.000 2.226 143 I HA -0.287 3.881 4.170 -0.004 0.000 0.245 143 I C 2.203 178.308 176.117 -0.021 0.000 1.100 143 I CA 1.616 62.898 61.300 -0.031 0.000 1.374 143 I CB -0.670 37.288 38.000 -0.069 0.000 1.057 143 I HN 0.290 nan 8.210 nan 0.000 0.413 144 T N -0.055 114.502 114.554 0.006 0.000 2.708 144 T HA -0.258 4.090 4.350 -0.004 0.000 0.266 144 T C 1.780 176.492 174.700 0.019 0.000 1.037 144 T CA 1.631 63.738 62.100 0.011 0.000 1.146 144 T CB -0.459 68.425 68.868 0.027 0.000 0.865 144 T HN 0.364 nan 8.240 nan 0.000 0.435 145 Y N 1.778 122.047 120.300 -0.051 0.000 2.163 145 Y HA -0.040 4.506 4.550 -0.006 0.000 0.288 145 Y C 2.003 177.878 175.900 -0.041 0.000 1.136 145 Y CA 1.022 59.093 58.100 -0.049 0.000 1.147 145 Y CB -0.551 37.862 38.460 -0.078 0.000 0.987 145 Y HN 0.109 nan 8.280 nan 0.000 0.509 146 L N -0.448 120.720 121.223 -0.091 0.000 1.989 146 L HA -0.323 4.015 4.340 -0.004 0.000 0.211 146 L C 2.593 179.354 176.870 -0.182 0.000 1.071 146 L CA 2.025 56.768 54.840 -0.162 0.000 0.749 146 L CB -0.669 41.340 42.059 -0.082 0.000 0.890 146 L HN 0.321 nan 8.230 nan 0.000 0.431 147 M N -0.995 118.533 119.600 -0.119 0.000 2.108 147 M HA -0.190 4.287 4.480 -0.004 0.000 0.261 147 M C 2.287 178.542 176.300 -0.075 0.000 1.066 147 M CA 1.978 57.229 55.300 -0.082 0.000 1.107 147 M CB -0.794 31.772 32.600 -0.057 0.000 1.356 147 M HN 0.269 nan 8.290 nan 0.000 0.406 148 T N 1.194 115.677 114.554 -0.118 0.000 2.821 148 T HA -0.121 4.227 4.350 -0.004 0.000 0.267 148 T C 1.706 176.355 174.700 -0.085 0.000 1.046 148 T CA 1.134 63.191 62.100 -0.073 0.000 1.139 148 T CB -0.272 68.524 68.868 -0.121 0.000 0.871 148 T HN 0.255 nan 8.240 nan 0.000 0.454 149 L N 1.286 122.304 121.223 -0.342 0.000 2.027 149 L HA 0.021 4.359 4.340 -0.004 0.000 0.206 149 L C 2.438 179.344 176.870 0.059 0.000 1.074 149 L CA 1.923 56.593 54.840 -0.283 0.000 0.745 149 L CB -0.566 41.195 42.059 -0.496 0.000 0.898 149 L HN 0.224 nan 8.230 nan 0.000 0.433 150 E N -0.710 119.506 120.200 0.026 0.000 2.077 150 E HA -0.259 4.089 4.350 -0.004 0.000 0.193 150 E C 1.694 178.388 176.600 0.156 0.000 0.989 150 E CA 1.470 57.931 56.400 0.102 0.000 0.800 150 E CB -0.073 29.615 29.700 -0.021 0.000 0.746 150 E HN 0.520 nan 8.360 nan 0.000 0.452 151 D N -0.404 120.054 120.400 0.096 0.000 2.221 151 D HA -0.153 4.485 4.640 -0.004 0.000 0.204 151 D C 1.052 177.349 176.300 -0.005 0.000 0.982 151 D CA 1.059 55.085 54.000 0.043 0.000 0.857 151 D CB -0.200 40.609 40.800 0.015 0.000 0.934 151 D HN 0.375 nan 8.370 nan 0.000 0.475 152 H N -1.865 117.234 119.070 0.048 0.000 2.533 152 H HA 0.140 4.693 4.556 -0.004 0.000 0.271 152 H C -0.364 175.011 175.328 0.078 0.000 1.000 152 H CA 0.002 56.072 56.048 0.037 0.000 1.149 152 H CB -0.181 29.557 29.762 -0.041 0.000 1.375 152 H HN 0.120 nan 8.280 nan 0.000 0.582 153 Y N 0.648 121.047 120.300 0.165 0.000 2.308 153 Y HA 0.150 4.699 4.550 -0.002 0.000 0.329 153 Y C 0.517 176.571 175.900 0.257 0.000 1.111 153 Y CA -0.594 57.616 58.100 0.183 0.000 1.179 153 Y CB 0.575 39.080 38.460 0.074 0.000 1.201 153 Y HN 0.246 nan 8.280 nan 0.000 0.483 154 H N 2.544 121.719 119.070 0.174 0.000 2.878 154 H HA 0.206 4.759 4.556 -0.005 0.000 0.290 154 H C 0.524 175.920 175.328 0.114 0.000 1.065 154 H CA -0.040 56.077 56.048 0.115 0.000 1.477 154 H CB 1.268 31.096 29.762 0.109 0.000 1.484 154 H HN 0.971 nan 8.280 nan 0.000 0.504 155 A N 3.593 126.518 122.820 0.174 0.000 2.019 155 A HA -0.184 4.134 4.320 -0.004 0.000 0.219 155 A C 1.813 179.462 177.584 0.107 0.000 1.164 155 A CA 1.436 53.540 52.037 0.112 0.000 0.644 155 A CB -0.133 18.901 19.000 0.057 0.000 0.805 155 A HN 0.857 nan 8.150 nan 0.000 0.449 156 D N -0.523 119.950 120.400 0.121 0.000 2.349 156 D HA 0.050 4.687 4.640 -0.004 0.000 0.224 156 D C 0.005 176.382 176.300 0.128 0.000 1.029 156 D CA 0.180 54.243 54.000 0.104 0.000 0.879 156 D CB -0.226 40.625 40.800 0.085 0.000 0.906 156 D HN 0.159 nan 8.370 nan 0.000 0.528 157 V N 1.411 121.423 119.914 0.165 0.000 2.370 157 V HA 0.373 4.490 4.120 -0.004 0.000 0.279 157 V C 1.517 177.688 176.094 0.128 0.000 1.029 157 V CA -0.340 62.051 62.300 0.153 0.000 0.870 157 V CB 1.121 33.048 31.823 0.174 0.000 0.984 157 V HN 0.162 nan 8.190 nan 0.000 0.451 158 A N 4.165 127.051 122.820 0.111 0.000 1.908 158 A HA -0.204 4.113 4.320 -0.004 0.000 0.218 158 A C 1.782 179.445 177.584 0.130 0.000 1.181 158 A CA 2.219 54.315 52.037 0.098 0.000 0.627 158 A CB -0.365 18.681 19.000 0.077 0.000 0.818 158 A HN 0.929 nan 8.150 nan 0.000 0.445 159 Y N -1.281 119.004 120.300 -0.026 0.000 2.439 159 Y HA 0.207 4.754 4.550 -0.005 0.000 0.281 159 Y C 0.903 176.693 175.900 -0.183 0.000 1.145 159 Y CA 0.467 58.502 58.100 -0.109 0.000 1.252 159 Y CB 0.120 38.377 38.460 -0.339 0.000 1.271 159 Y HN 0.350 nan 8.280 nan 0.000 0.516 160 H N 2.277 121.397 119.070 0.084 0.000 3.981 160 H HA 0.125 4.679 4.556 -0.003 0.000 0.208 160 H C -0.725 174.666 175.328 0.105 0.000 1.611 160 H CA 0.123 56.143 56.048 -0.046 0.000 1.470 160 H CB -1.078 28.417 29.762 -0.446 0.000 1.777 160 H HN 0.406 nan 8.280 nan 0.000 0.727 161 N N -0.785 118.027 118.700 0.188 0.000 3.201 161 N HA 0.039 4.776 4.740 -0.004 0.000 0.344 161 N C 1.006 176.503 175.510 -0.021 0.000 1.465 161 N CA -0.928 52.263 53.050 0.235 0.000 0.731 161 N CB 0.316 38.891 38.487 0.146 0.000 1.677 161 N HN 0.120 nan 8.380 nan 0.000 0.631 162 N N 0.103 118.717 118.700 -0.144 0.000 2.289 162 N HA -0.110 4.627 4.740 -0.004 0.000 0.184 162 N C 1.163 176.479 175.510 -0.322 0.000 1.016 162 N CA 1.123 53.885 53.050 -0.479 0.000 0.872 162 N CB -0.452 37.900 38.487 -0.226 0.000 0.973 162 N HN 0.660 nan 8.380 nan 0.000 0.433 163 I N 0.436 120.925 120.570 -0.135 0.000 2.353 163 I HA -0.204 3.963 4.170 -0.004 0.000 0.248 163 I C 2.603 178.691 176.117 -0.047 0.000 1.119 163 I CA 1.223 62.474 61.300 -0.081 0.000 1.417 163 I CB -0.506 37.491 38.000 -0.005 0.000 1.078 163 I HN 0.170 nan 8.210 nan 0.000 0.421 164 H N 1.648 120.609 119.070 -0.182 0.000 2.353 164 H HA -0.090 4.463 4.556 -0.005 0.000 0.300 164 H C 2.145 177.292 175.328 -0.301 0.000 1.090 164 H CA 1.699 57.502 56.048 -0.409 0.000 1.327 164 H CB -0.019 29.406 29.762 -0.560 0.000 1.383 164 H HN 0.255 nan 8.280 nan 0.000 0.508 165 A N 0.992 123.538 122.820 -0.457 0.000 1.902 165 A HA -0.033 4.285 4.320 -0.004 0.000 0.217 165 A C 2.657 180.032 177.584 -0.349 0.000 1.181 165 A CA 1.752 53.520 52.037 -0.447 0.000 0.623 165 A CB -1.389 17.182 19.000 -0.715 0.000 0.818 165 A HN 0.634 nan 8.150 nan 0.000 0.443 166 A N -0.047 122.581 122.820 -0.321 0.000 1.902 166 A HA -0.211 4.107 4.320 -0.004 0.000 0.217 166 A C 1.845 179.299 177.584 -0.217 0.000 1.181 166 A CA 2.237 54.138 52.037 -0.227 0.000 0.623 166 A CB -0.680 18.204 19.000 -0.194 0.000 0.818 166 A HN 0.563 nan 8.150 nan 0.000 0.443 167 D N -0.662 119.578 120.400 -0.266 0.000 2.144 167 D HA -0.096 4.541 4.640 -0.004 0.000 0.200 167 D C 1.689 177.790 176.300 -0.332 0.000 0.978 167 D CA 1.428 55.255 54.000 -0.287 0.000 0.833 167 D CB -0.049 40.552 40.800 -0.332 0.000 0.961 167 D HN 0.148 nan 8.370 nan 0.000 0.470 168 V N -0.292 119.382 119.914 -0.400 0.000 2.548 168 V HA -0.129 3.989 4.120 -0.004 0.000 0.249 168 V C 2.509 178.467 176.094 -0.226 0.000 1.055 168 V CA 0.854 62.935 62.300 -0.365 0.000 1.065 168 V CB -0.004 31.515 31.823 -0.507 0.000 0.681 168 V HN 0.142 nan 8.190 nan 0.000 0.462 169 V N -0.323 119.485 119.914 -0.177 0.000 2.270 169 V HA -0.259 3.858 4.120 -0.004 0.000 0.245 169 V C 2.533 178.615 176.094 -0.019 0.000 1.043 169 V CA 2.182 64.436 62.300 -0.077 0.000 1.014 169 V CB -0.552 31.235 31.823 -0.060 0.000 0.645 169 V HN 0.523 nan 8.190 nan 0.000 0.447 170 Q N -0.064 119.705 119.800 -0.051 0.000 2.084 170 Q HA -0.186 4.152 4.340 -0.004 0.000 0.202 170 Q C 2.398 178.421 176.000 0.040 0.000 0.978 170 Q CA 2.277 58.087 55.803 0.012 0.000 0.844 170 Q CB -0.211 28.495 28.738 -0.053 0.000 0.898 170 Q HN 0.647 nan 8.270 nan 0.000 0.426 171 S N -0.041 115.607 115.700 -0.088 0.000 2.368 171 S HA -0.107 4.361 4.470 -0.004 0.000 0.225 171 S C 1.988 176.667 174.600 0.132 0.000 1.030 171 S CA 1.644 59.798 58.200 -0.078 0.000 0.999 171 S CB -0.413 62.627 63.200 -0.267 0.000 0.844 171 S HN 0.462 nan 8.310 nan 0.000 0.459 172 T N 0.676 115.255 114.554 0.042 0.000 2.788 172 T HA -0.154 4.194 4.350 -0.004 0.000 0.268 172 T C 1.728 176.490 174.700 0.103 0.000 1.044 172 T CA 1.746 63.867 62.100 0.036 0.000 1.139 172 T CB -0.446 68.408 68.868 -0.023 0.000 0.867 172 T HN 0.576 nan 8.240 nan 0.000 0.454 173 H N 0.871 119.965 119.070 0.041 0.000 2.387 173 H HA -0.017 4.536 4.556 -0.004 0.000 0.299 173 H C 1.936 177.324 175.328 0.100 0.000 1.099 173 H CA 1.364 57.447 56.048 0.059 0.000 1.315 173 H CB -0.543 29.249 29.762 0.050 0.000 1.380 173 H HN 0.161 nan 8.280 nan 0.000 0.513 174 V N 0.442 120.372 119.914 0.027 0.000 2.379 174 V HA -0.182 3.935 4.120 -0.004 0.000 0.245 174 V C 2.690 178.836 176.094 0.085 0.000 1.044 174 V CA 1.590 63.913 62.300 0.039 0.000 1.036 174 V CB -0.546 31.473 31.823 0.326 0.000 0.664 174 V HN 0.388 nan 8.190 nan 0.000 0.453 175 L N -0.676 120.646 121.223 0.165 0.000 2.131 175 L HA -0.163 4.175 4.340 -0.004 0.000 0.210 175 L C 2.355 179.319 176.870 0.156 0.000 1.092 175 L CA 1.325 56.258 54.840 0.154 0.000 0.759 175 L CB -0.498 41.602 42.059 0.068 0.000 0.903 175 L HN 0.304 nan 8.230 nan 0.000 0.435 176 L N -1.005 120.270 121.223 0.087 0.000 2.201 176 L HA -0.140 4.198 4.340 -0.004 0.000 0.212 176 L C 1.936 178.863 176.870 0.095 0.000 1.105 176 L CA 0.787 55.684 54.840 0.096 0.000 0.775 176 L CB -0.205 41.886 42.059 0.053 0.000 0.913 176 L HN 0.136 nan 8.230 nan 0.000 0.440 177 S N -1.368 114.343 115.700 0.018 0.000 2.679 177 S HA 0.010 4.477 4.470 -0.004 0.000 0.233 177 S C 0.710 175.328 174.600 0.031 0.000 0.951 177 S CA -0.047 58.156 58.200 0.005 0.000 0.973 177 S CB -0.210 62.941 63.200 -0.080 0.000 0.778 177 S HN 0.277 nan 8.310 nan 0.000 0.477 178 T N 3.059 117.658 114.554 0.075 0.000 2.901 178 T HA 0.154 4.501 4.350 -0.004 0.000 0.301 178 T C -1.680 173.043 174.700 0.039 0.000 1.012 178 T CA -1.729 60.409 62.100 0.065 0.000 1.135 178 T CB 0.740 69.680 68.868 0.120 0.000 0.936 178 T HN -0.009 nan 8.240 nan 0.000 0.539 179 P HA -0.155 nan 4.420 nan 0.000 0.217 179 P C 1.229 178.522 177.300 -0.011 0.000 1.158 179 P CA 1.532 64.631 63.100 -0.002 0.000 0.887 179 P CB -0.015 31.678 31.700 -0.012 0.000 0.792 180 A N -1.599 121.206 122.820 -0.024 0.000 2.186 180 A HA -0.112 4.205 4.320 -0.004 0.000 0.219 180 A C 1.770 179.323 177.584 -0.052 0.000 1.159 180 A CA 1.311 53.317 52.037 -0.052 0.000 0.680 180 A CB -1.251 17.695 19.000 -0.091 0.000 0.787 180 A HN 0.213 nan 8.150 nan 0.000 0.467 181 L N -0.796 120.424 121.223 -0.005 0.000 3.069 181 L HA 0.179 4.517 4.340 -0.004 0.000 0.271 181 L C -0.185 176.697 176.870 0.022 0.000 1.201 181 L CA -0.400 54.449 54.840 0.013 0.000 1.015 181 L CB 0.233 42.384 42.059 0.153 0.000 1.371 181 L HN 0.257 nan 8.230 nan 0.000 0.574 182 E N 1.453 121.659 120.200 0.010 0.000 2.558 182 E HA 0.080 4.428 4.350 -0.004 0.000 0.255 182 E C 1.167 177.762 176.600 -0.010 0.000 0.968 182 E CA 0.626 57.034 56.400 0.013 0.000 0.939 182 E CB 0.489 30.190 29.700 0.002 0.000 0.921 182 E HN 0.327 nan 8.360 nan 0.000 0.477 183 A N 2.510 125.336 122.820 0.010 0.000 2.829 183 A HA -0.243 4.074 4.320 -0.004 0.000 0.267 183 A C 1.225 178.774 177.584 -0.059 0.000 1.370 183 A CA 1.028 53.060 52.037 -0.008 0.000 0.900 183 A CB -2.021 16.970 19.000 -0.016 0.000 1.044 183 A HN 0.438 nan 8.150 nan 0.000 0.691 184 V N -1.989 117.854 119.914 -0.117 0.000 2.446 184 V HA 0.125 4.242 4.120 -0.004 0.000 0.244 184 V C 1.114 176.942 176.094 -0.444 0.000 1.039 184 V CA 1.717 63.816 62.300 -0.334 0.000 1.045 184 V CB -0.327 31.177 31.823 -0.531 0.000 0.681 184 V HN 0.522 nan 8.190 nan 0.000 0.459 185 F N 0.713 120.678 119.950 0.024 0.000 2.425 185 F HA 0.482 5.006 4.527 -0.004 0.000 0.331 185 F C 0.987 176.812 175.800 0.041 0.000 1.085 185 F CA -0.931 57.091 58.000 0.036 0.000 1.028 185 F CB 0.955 39.982 39.000 0.046 0.000 1.177 185 F HN -0.045 nan 8.300 nan 0.000 0.487 186 T N -2.136 112.570 114.554 0.253 0.000 2.788 186 T HA 0.107 4.455 4.350 -0.004 0.000 0.287 186 T C 0.825 175.639 174.700 0.190 0.000 1.007 186 T CA -0.722 61.479 62.100 0.169 0.000 1.005 186 T CB 0.770 69.726 68.868 0.148 0.000 1.012 186 T HN 0.531 nan 8.240 nan 0.000 0.530 187 D N -0.042 120.454 120.400 0.161 0.000 2.178 187 D HA -0.085 4.552 4.640 -0.004 0.000 0.201 187 D C 1.884 178.403 176.300 0.366 0.000 0.980 187 D CA 0.760 54.889 54.000 0.215 0.000 0.842 187 D CB -0.123 40.739 40.800 0.102 0.000 0.948 187 D HN 0.388 nan 8.370 nan 0.000 0.472 188 L N 1.384 122.831 121.223 0.374 0.000 2.056 188 L HA -0.129 4.208 4.340 -0.004 0.000 0.207 188 L C 1.997 178.914 176.870 0.078 0.000 1.078 188 L CA 1.632 56.612 54.840 0.234 0.000 0.749 188 L CB -0.279 41.896 42.059 0.193 0.000 0.901 188 L HN -0.068 nan 8.230 nan 0.000 0.433 189 E N -0.575 119.701 120.200 0.126 0.000 2.150 189 E HA -0.200 4.148 4.350 -0.004 0.000 0.193 189 E C 2.288 178.880 176.600 -0.013 0.000 0.985 189 E CA 1.368 57.816 56.400 0.081 0.000 0.814 189 E CB -0.166 29.656 29.700 0.203 0.000 0.752 189 E HN 0.539 nan 8.360 nan 0.000 0.466 190 I N 0.832 121.425 120.570 0.037 0.000 2.252 190 I HA -0.231 3.936 4.170 -0.004 0.000 0.245 190 I C 2.403 178.511 176.117 -0.015 0.000 1.102 190 I CA 0.462 61.764 61.300 0.003 0.000 1.385 190 I CB -0.059 37.983 38.000 0.071 0.000 1.064 190 I HN 0.139 nan 8.210 nan 0.000 0.414 191 L N 1.172 122.379 121.223 -0.027 0.000 2.046 191 L HA -0.148 4.190 4.340 -0.004 0.000 0.208 191 L C 2.524 179.393 176.870 -0.001 0.000 1.077 191 L CA 2.166 56.942 54.840 -0.107 0.000 0.747 191 L CB -0.791 41.060 42.059 -0.347 0.000 0.896 191 L HN 0.174 nan 8.230 nan 0.000 0.432 192 A N -0.401 122.406 122.820 -0.021 0.000 1.877 192 A HA -0.079 4.239 4.320 -0.004 0.000 0.216 192 A C 2.473 180.107 177.584 0.084 0.000 1.186 192 A CA 1.851 53.918 52.037 0.049 0.000 0.620 192 A CB -1.246 17.765 19.000 0.018 0.000 0.822 192 A HN 0.586 nan 8.150 nan 0.000 0.443 193 A N -0.029 122.793 122.820 0.003 0.000 1.883 193 A HA -0.121 4.197 4.320 -0.004 0.000 0.217 193 A C 2.147 179.747 177.584 0.028 0.000 1.186 193 A CA 1.670 53.689 52.037 -0.029 0.000 0.624 193 A CB -0.621 18.307 19.000 -0.120 0.000 0.822 193 A HN 0.512 nan 8.150 nan 0.000 0.444 194 I N -2.263 118.352 120.570 0.076 0.000 2.233 194 I HA -0.176 3.992 4.170 -0.004 0.000 0.243 194 I C 2.356 178.608 176.117 0.226 0.000 1.093 194 I CA 1.375 62.759 61.300 0.139 0.000 1.380 194 I CB -0.359 37.739 38.000 0.163 0.000 1.067 194 I HN 0.409 nan 8.210 nan 0.000 0.413 195 F N 1.976 122.016 119.950 0.150 0.000 2.134 195 F HA -0.212 4.312 4.527 -0.006 0.000 0.299 195 F C 2.474 178.334 175.800 0.100 0.000 1.097 195 F CA 1.338 59.449 58.000 0.184 0.000 1.264 195 F CB -0.352 38.785 39.000 0.228 0.000 1.001 195 F HN -0.004 nan 8.300 nan 0.000 0.479 196 A N -0.617 122.269 122.820 0.110 0.000 1.902 196 A HA -0.172 4.146 4.320 -0.004 0.000 0.217 196 A C 2.372 179.937 177.584 -0.033 0.000 1.181 196 A CA 2.036 54.074 52.037 0.001 0.000 0.623 196 A CB -1.267 17.768 19.000 0.058 0.000 0.818 196 A HN 0.414 nan 8.150 nan 0.000 0.443 197 S N -0.055 115.626 115.700 -0.032 0.000 2.382 197 S HA -0.063 4.404 4.470 -0.004 0.000 0.228 197 S C 2.226 176.835 174.600 0.014 0.000 1.027 197 S CA 1.203 59.358 58.200 -0.076 0.000 0.991 197 S CB -0.429 62.713 63.200 -0.097 0.000 0.823 197 S HN 0.805 nan 8.310 nan 0.000 0.469 198 A N 1.497 124.295 122.820 -0.037 0.000 2.014 198 A HA 0.068 4.386 4.320 -0.004 0.000 0.218 198 A C 2.014 179.580 177.584 -0.030 0.000 1.163 198 A CA 1.189 53.191 52.037 -0.058 0.000 0.652 198 A CB -0.606 18.356 19.000 -0.063 0.000 0.808 198 A HN 0.692 nan 8.150 nan 0.000 0.449 199 I N -3.683 116.800 120.570 -0.145 0.000 4.057 199 I HA 0.089 4.257 4.170 -0.004 0.000 0.334 199 I C 1.917 177.983 176.117 -0.085 0.000 1.308 199 I CA 0.625 61.835 61.300 -0.150 0.000 1.125 199 I CB -0.538 37.208 38.000 -0.423 0.000 1.034 199 I HN 0.446 nan 8.210 nan 0.000 0.401 200 H N 1.276 120.286 119.070 -0.101 0.000 2.496 200 H HA -0.178 4.375 4.556 -0.004 0.000 0.296 200 H C 0.127 175.273 175.328 -0.304 0.000 1.107 200 H CA 1.842 57.831 56.048 -0.098 0.000 1.263 200 H CB -0.239 29.496 29.762 -0.045 0.000 1.369 200 H HN 0.426 nan 8.280 nan 0.000 0.541 201 D N 0.879 120.739 120.400 -0.900 0.000 2.563 201 D HA 0.120 4.758 4.640 -0.004 0.000 0.237 201 D C -0.083 175.732 176.300 -0.809 0.000 1.282 201 D CA -0.291 53.001 54.000 -1.181 0.000 0.816 201 D CB 0.840 41.363 40.800 -0.462 0.000 1.066 201 D HN 0.117 nan 8.370 nan 0.000 0.501 202 V N 1.555 121.007 119.914 -0.770 0.000 2.694 202 V HA -0.056 4.061 4.120 -0.004 0.000 0.306 202 V C 0.676 176.556 176.094 -0.356 0.000 1.054 202 V CA 0.926 62.577 62.300 -1.083 0.000 1.161 202 V CB 0.654 32.090 31.823 -0.646 0.000 0.916 202 V HN 0.388 nan 8.190 nan 0.000 0.490 203 D N 3.081 123.268 120.400 -0.355 0.000 2.870 203 D HA -0.220 4.418 4.640 -0.004 0.000 0.228 203 D C 0.085 176.333 176.300 -0.086 0.000 1.147 203 D CA 1.226 55.220 54.000 -0.011 0.000 0.757 203 D CB -1.431 39.465 40.800 0.160 0.000 1.091 203 D HN 0.880 nan 8.370 nan 0.000 0.429 204 H N 0.082 119.015 119.070 -0.228 0.000 2.848 204 H HA 0.161 4.715 4.556 -0.002 0.000 0.317 204 H C -1.468 173.622 175.328 -0.396 0.000 1.046 204 H CA -0.601 55.385 56.048 -0.103 0.000 1.470 204 H CB 1.297 31.047 29.762 -0.020 0.000 1.483 204 H HN 0.135 nan 8.280 nan 0.000 0.548 205 P HA 0.044 nan 4.420 nan 0.000 0.241 205 P C 0.652 178.030 177.300 0.131 0.000 1.191 205 P CA 1.235 64.325 63.100 -0.017 0.000 0.771 205 P CB 0.497 32.192 31.700 -0.009 0.000 0.929 206 G N -0.320 108.706 108.800 0.377 0.000 2.141 206 G HA2 -0.161 3.796 3.960 -0.004 0.000 0.242 206 G HA3 -0.161 3.796 3.960 -0.004 0.000 0.242 206 G C 0.034 175.008 174.900 0.123 0.000 0.982 206 G CA 0.075 45.312 45.100 0.228 0.000 0.662 206 G HN 0.578 nan 8.290 nan 0.000 0.527 207 V N -2.011 117.966 119.914 0.104 0.000 3.040 207 V HA 0.953 5.070 4.120 -0.004 0.000 0.312 207 V C 0.526 176.627 176.094 0.011 0.000 1.115 207 V CA -0.123 62.125 62.300 -0.087 0.000 0.998 207 V CB 1.532 33.134 31.823 -0.368 0.000 1.042 207 V HN 1.443 nan 8.190 nan 0.000 0.433 208 S N 1.683 117.372 115.700 -0.018 0.000 2.624 208 S HA 0.273 4.740 4.470 -0.004 0.000 0.263 208 S C 0.796 175.415 174.600 0.032 0.000 1.287 208 S CA -0.091 58.113 58.200 0.006 0.000 0.990 208 S CB 0.516 63.693 63.200 -0.038 0.000 0.950 208 S HN 0.817 nan 8.310 nan 0.000 0.561 209 N N 0.793 119.496 118.700 0.005 0.000 2.104 209 N HA -0.158 4.579 4.740 -0.004 0.000 0.190 209 N C 1.722 177.250 175.510 0.030 0.000 1.024 209 N CA 1.533 54.584 53.050 0.002 0.000 0.853 209 N CB -0.731 37.754 38.487 -0.004 0.000 1.008 209 N HN 0.742 nan 8.380 nan 0.000 0.424 210 Q N 0.341 120.164 119.800 0.038 0.000 2.096 210 Q HA -0.054 4.283 4.340 -0.004 0.000 0.204 210 Q C 1.816 177.846 176.000 0.051 0.000 0.982 210 Q CA 1.204 57.026 55.803 0.032 0.000 0.850 210 Q CB -0.613 28.140 28.738 0.025 0.000 0.901 210 Q HN 0.386 nan 8.270 nan 0.000 0.422 211 F N -0.334 119.588 119.950 -0.048 0.000 2.171 211 F HA -0.094 4.430 4.527 -0.005 0.000 0.300 211 F C 1.516 177.294 175.800 -0.038 0.000 1.090 211 F CA 1.093 59.069 58.000 -0.041 0.000 1.293 211 F CB 0.005 38.980 39.000 -0.042 0.000 1.013 211 F HN 0.089 nan 8.300 nan 0.000 0.486 212 L N -0.441 120.881 121.223 0.165 0.000 2.156 212 L HA -0.185 4.152 4.340 -0.004 0.000 0.208 212 L C 2.349 179.201 176.870 -0.029 0.000 1.095 212 L CA 1.033 55.913 54.840 0.067 0.000 0.770 212 L CB -0.556 41.525 42.059 0.037 0.000 0.914 212 L HN 0.178 nan 8.230 nan 0.000 0.439 213 I N -0.075 120.477 120.570 -0.031 0.000 2.233 213 I HA -0.234 3.934 4.170 -0.004 0.000 0.243 213 I C 2.062 178.128 176.117 -0.085 0.000 1.093 213 I CA 0.983 62.257 61.300 -0.044 0.000 1.380 213 I CB -0.305 37.681 38.000 -0.023 0.000 1.067 213 I HN 0.302 nan 8.210 nan 0.000 0.413 214 N N 0.394 119.016 118.700 -0.129 0.000 2.309 214 N HA -0.122 4.615 4.740 -0.004 0.000 0.182 214 N C 1.661 177.044 175.510 -0.212 0.000 1.018 214 N CA 1.795 54.745 53.050 -0.166 0.000 0.876 214 N CB -0.534 37.837 38.487 -0.192 0.000 0.972 214 N HN 0.448 nan 8.380 nan 0.000 0.434 215 T N -2.316 112.074 114.554 -0.274 0.000 3.144 215 T HA 0.115 4.463 4.350 -0.004 0.000 0.249 215 T C 0.352 174.974 174.700 -0.129 0.000 1.089 215 T CA -0.364 61.591 62.100 -0.242 0.000 0.989 215 T CB -0.094 68.582 68.868 -0.321 0.000 0.992 215 T HN -0.027 nan 8.240 nan 0.000 0.540 216 N N 2.111 120.750 118.700 -0.102 0.000 2.735 216 N HA -0.153 4.585 4.740 -0.004 0.000 0.248 216 N C 0.002 175.478 175.510 -0.055 0.000 1.083 216 N CA 1.039 54.049 53.050 -0.067 0.000 0.703 216 N CB -1.742 36.710 38.487 -0.058 0.000 1.005 216 N HN 0.927 nan 8.380 nan 0.000 0.550 217 S N -0.553 115.115 115.700 -0.053 0.000 2.572 217 S HA 0.113 4.580 4.470 -0.004 0.000 0.279 217 S C 1.517 176.091 174.600 -0.044 0.000 1.341 217 S CA 0.150 58.327 58.200 -0.039 0.000 1.043 217 S CB 1.308 64.494 63.200 -0.024 0.000 0.887 217 S HN 0.407 nan 8.310 nan 0.000 0.516 218 E N 1.090 121.262 120.200 -0.046 0.000 2.265 218 E HA -0.162 4.185 4.350 -0.004 0.000 0.196 218 E C 1.620 178.171 176.600 -0.082 0.000 0.996 218 E CA 0.529 56.893 56.400 -0.060 0.000 0.832 218 E CB -0.319 29.349 29.700 -0.054 0.000 0.756 218 E HN 0.509 nan 8.360 nan 0.000 0.491 219 L N 1.365 122.540 121.223 -0.080 0.000 2.046 219 L HA -0.059 4.278 4.340 -0.004 0.000 0.208 219 L C 2.463 179.324 176.870 -0.014 0.000 1.077 219 L CA 2.026 56.816 54.840 -0.083 0.000 0.747 219 L CB -0.793 41.181 42.059 -0.142 0.000 0.896 219 L HN 0.263 nan 8.230 nan 0.000 0.432 220 A N -1.135 121.675 122.820 -0.017 0.000 1.898 220 A HA -0.177 4.141 4.320 -0.004 0.000 0.216 220 A C 2.216 179.795 177.584 -0.008 0.000 1.181 220 A CA 1.696 53.738 52.037 0.008 0.000 0.620 220 A CB -0.869 18.124 19.000 -0.012 0.000 0.819 220 A HN 0.417 nan 8.150 nan 0.000 0.442 221 L N -1.121 120.076 121.223 -0.043 0.000 2.046 221 L HA -0.131 4.206 4.340 -0.004 0.000 0.208 221 L C 2.424 179.237 176.870 -0.094 0.000 1.077 221 L CA 2.635 57.441 54.840 -0.056 0.000 0.747 221 L CB -0.491 41.532 42.059 -0.059 0.000 0.896 221 L HN 0.443 nan 8.230 nan 0.000 0.432 222 M N -1.319 118.180 119.600 -0.169 0.000 2.159 222 M HA -0.205 4.272 4.480 -0.004 0.000 0.263 222 M C 1.088 177.127 176.300 -0.435 0.000 1.063 222 M CA 1.791 56.889 55.300 -0.337 0.000 1.110 222 M CB -0.461 31.846 32.600 -0.488 0.000 1.374 222 M HN 0.291 nan 8.290 nan 0.000 0.411 223 Y N 0.943 121.234 120.300 -0.014 0.000 2.625 223 Y HA 0.331 4.883 4.550 0.003 0.000 0.285 223 Y C 0.341 176.237 175.900 -0.008 0.000 1.168 223 Y CA -0.759 57.337 58.100 -0.006 0.000 1.250 223 Y CB -0.934 37.520 38.460 -0.009 0.000 1.130 223 Y HN 0.335 nan 8.280 nan 0.000 0.526 224 N N 1.230 119.972 118.700 0.070 0.000 2.708 224 N HA -0.256 4.481 4.740 -0.004 0.000 0.251 224 N C -0.664 174.878 175.510 0.055 0.000 1.017 224 N CA 1.401 54.479 53.050 0.047 0.000 0.742 224 N CB -0.993 37.520 38.487 0.045 0.000 0.943 224 N HN 0.487 nan 8.380 nan 0.000 0.539 225 D N -2.162 118.273 120.400 0.058 0.000 2.955 225 D HA -0.162 4.475 4.640 -0.004 0.000 0.226 225 D C -0.738 175.588 176.300 0.043 0.000 1.178 225 D CA 1.407 55.432 54.000 0.041 0.000 0.808 225 D CB -1.478 39.333 40.800 0.018 0.000 1.099 225 D HN 0.461 nan 8.370 nan 0.000 0.421 226 S N -0.388 115.350 115.700 0.063 0.000 2.566 226 S HA 0.413 4.881 4.470 -0.004 0.000 0.324 226 S C 0.412 175.022 174.600 0.018 0.000 1.081 226 S CA -0.522 57.703 58.200 0.042 0.000 1.105 226 S CB 2.040 65.270 63.200 0.049 0.000 0.981 226 S HN 0.154 nan 8.310 nan 0.000 0.464 227 S N 1.353 117.053 115.700 -0.000 0.000 3.559 227 S HA -0.147 4.321 4.470 -0.004 0.000 0.369 227 S C 1.441 175.981 174.600 -0.101 0.000 0.987 227 S CA 0.450 58.631 58.200 -0.032 0.000 1.187 227 S CB -1.684 61.499 63.200 -0.027 0.000 0.914 227 S HN 0.639 nan 8.310 nan 0.000 0.480 228 V N 0.646 120.521 119.914 -0.065 0.000 2.220 228 V HA -0.303 3.815 4.120 -0.004 0.000 0.250 228 V C 2.290 178.256 176.094 -0.212 0.000 1.056 228 V CA 2.641 64.897 62.300 -0.073 0.000 1.016 228 V CB -0.585 31.236 31.823 -0.002 0.000 0.639 228 V HN 0.686 nan 8.190 nan 0.000 0.446 229 L N -0.539 120.545 121.223 -0.233 0.000 2.012 229 L HA -0.220 4.118 4.340 -0.004 0.000 0.210 229 L C 2.665 179.170 176.870 -0.607 0.000 1.073 229 L CA 1.744 56.309 54.840 -0.458 0.000 0.748 229 L CB -0.723 41.103 42.059 -0.387 0.000 0.891 229 L HN 0.325 nan 8.230 nan 0.000 0.431 230 E N 0.070 120.144 120.200 -0.210 0.000 2.085 230 E HA -0.192 4.156 4.350 -0.004 0.000 0.194 230 E C 2.011 178.527 176.600 -0.140 0.000 0.994 230 E CA 1.045 57.440 56.400 -0.009 0.000 0.801 230 E CB -0.311 29.421 29.700 0.053 0.000 0.743 230 E HN 0.351 nan 8.360 nan 0.000 0.453 231 N N -0.181 118.325 118.700 -0.323 0.000 2.166 231 N HA -0.173 4.565 4.740 -0.004 0.000 0.186 231 N C 1.797 177.015 175.510 -0.487 0.000 1.019 231 N CA 1.204 53.946 53.050 -0.514 0.000 0.856 231 N CB -0.248 37.581 38.487 -1.097 0.000 0.993 231 N HN 0.270 nan 8.380 nan 0.000 0.426 232 H N 0.814 119.533 119.070 -0.585 0.000 2.357 232 H HA -0.040 4.512 4.556 -0.007 0.000 0.301 232 H C 1.830 177.057 175.328 -0.169 0.000 1.082 232 H CA 1.720 57.604 56.048 -0.274 0.000 1.342 232 H CB -0.144 29.469 29.762 -0.249 0.000 1.389 232 H HN 0.282 nan 8.280 nan 0.000 0.511 233 H N -0.049 118.915 119.070 -0.177 0.000 2.352 233 H HA -0.126 4.428 4.556 -0.003 0.000 0.299 233 H C 2.634 177.848 175.328 -0.190 0.000 1.097 233 H CA 1.497 57.411 56.048 -0.223 0.000 1.311 233 H CB -0.531 29.148 29.762 -0.138 0.000 1.377 233 H HN 0.351 nan 8.280 nan 0.000 0.504 234 L N 0.069 121.302 121.223 0.017 0.000 2.005 234 L HA -0.147 4.191 4.340 -0.004 0.000 0.207 234 L C 2.906 179.862 176.870 0.143 0.000 1.072 234 L CA 1.021 55.897 54.840 0.059 0.000 0.744 234 L CB -0.558 41.599 42.059 0.163 0.000 0.895 234 L HN 0.224 nan 8.230 nan 0.000 0.433 235 A N -0.461 122.436 122.820 0.127 0.000 1.903 235 A HA -0.219 4.099 4.320 -0.004 0.000 0.219 235 A C 2.277 179.926 177.584 0.109 0.000 1.191 235 A CA 2.319 54.468 52.037 0.185 0.000 0.638 235 A CB -1.003 18.120 19.000 0.204 0.000 0.823 235 A HN 0.250 nan 8.150 nan 0.000 0.451 236 V N -0.320 119.546 119.914 -0.080 0.000 2.358 236 V HA -0.128 3.989 4.120 -0.004 0.000 0.246 236 V C 2.822 178.873 176.094 -0.071 0.000 1.047 236 V CA 1.819 64.042 62.300 -0.128 0.000 1.035 236 V CB -1.428 30.214 31.823 -0.301 0.000 0.658 236 V HN 0.637 nan 8.190 nan 0.000 0.452 237 G N -0.624 108.113 108.800 -0.105 0.000 2.442 237 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.219 237 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.219 237 G C 1.433 176.367 174.900 0.056 0.000 1.141 237 G CA 0.928 45.954 45.100 -0.123 0.000 0.763 237 G HN 0.458 nan 8.290 nan 0.000 0.554 238 F N 0.725 120.810 119.950 0.225 0.000 2.187 238 F HA 0.187 4.713 4.527 -0.002 0.000 0.295 238 F C 2.462 178.365 175.800 0.171 0.000 1.091 238 F CA 1.149 59.296 58.000 0.245 0.000 1.308 238 F CB -0.302 38.806 39.000 0.181 0.000 1.030 238 F HN 0.015 nan 8.300 nan 0.000 0.487 239 K N 1.093 121.669 120.400 0.293 0.000 2.103 239 K HA -0.125 4.192 4.320 -0.004 0.000 0.207 239 K C 1.764 178.445 176.600 0.135 0.000 1.048 239 K CA 1.390 57.781 56.287 0.173 0.000 0.930 239 K CB -0.715 31.849 32.500 0.106 0.000 0.716 239 K HN 0.277 nan 8.250 nan 0.000 0.444 240 L N 0.391 121.690 121.223 0.126 0.000 2.456 240 L HA -0.086 4.251 4.340 -0.004 0.000 0.224 240 L C 1.873 178.905 176.870 0.269 0.000 1.148 240 L CA 0.453 55.354 54.840 0.101 0.000 0.825 240 L CB -0.347 41.687 42.059 -0.043 0.000 0.937 240 L HN 0.167 nan 8.230 nan 0.000 0.450 241 L N -0.669 120.735 121.223 0.301 0.000 2.275 241 L HA -0.189 4.148 4.340 -0.004 0.000 0.215 241 L C 2.226 179.169 176.870 0.121 0.000 1.119 241 L CA 1.011 55.958 54.840 0.177 0.000 0.790 241 L CB -0.325 41.808 42.059 0.123 0.000 0.919 241 L HN 0.374 nan 8.230 nan 0.000 0.443 242 Q N -0.422 119.451 119.800 0.121 0.000 2.425 242 Q HA 0.044 4.382 4.340 -0.004 0.000 0.204 242 Q C 0.154 176.197 176.000 0.070 0.000 0.933 242 Q CA 0.081 55.934 55.803 0.084 0.000 0.939 242 Q CB 0.259 29.044 28.738 0.078 0.000 1.044 242 Q HN 0.529 nan 8.270 nan 0.000 0.513 243 E N 1.448 121.695 120.200 0.078 0.000 2.371 243 E HA 0.026 4.373 4.350 -0.004 0.000 0.257 243 E C -0.265 176.369 176.600 0.057 0.000 1.134 243 E CA -0.418 56.018 56.400 0.061 0.000 0.919 243 E CB 0.521 30.254 29.700 0.054 0.000 1.025 243 E HN -0.039 nan 8.360 nan 0.000 0.438 244 E N 1.924 122.151 120.200 0.045 0.000 2.694 244 E HA -0.229 4.119 4.350 -0.004 0.000 0.250 244 E C -0.064 176.559 176.600 0.039 0.000 0.963 244 E CA 0.800 57.223 56.400 0.037 0.000 0.949 244 E CB -0.494 29.224 29.700 0.030 0.000 0.911 244 E HN 0.638 nan 8.360 nan 0.000 0.500 245 N N 2.976 121.696 118.700 0.035 0.000 2.727 245 N HA -0.284 4.454 4.740 -0.004 0.000 0.249 245 N C -0.454 175.082 175.510 0.043 0.000 1.048 245 N CA 0.487 53.556 53.050 0.031 0.000 0.714 245 N CB -1.099 37.403 38.487 0.025 0.000 0.959 245 N HN 0.510 nan 8.380 nan 0.000 0.544 246 C N -0.655 118.681 119.300 0.060 0.000 3.228 246 C HA 0.140 4.598 4.460 -0.004 0.000 0.290 246 C C 0.684 175.685 174.990 0.018 0.000 1.301 246 C CA -0.337 58.750 59.018 0.114 0.000 1.703 246 C CB -0.401 27.461 27.740 0.203 0.000 2.141 246 C HN 0.464 nan 8.230 nan 0.000 0.656 247 D N 2.181 122.562 120.400 -0.032 0.000 2.455 247 D HA 0.102 4.739 4.640 -0.004 0.000 0.234 247 D C 1.342 177.511 176.300 -0.218 0.000 1.224 247 D CA -0.164 53.766 54.000 -0.118 0.000 0.999 247 D CB -0.142 40.642 40.800 -0.028 0.000 1.072 247 D HN 0.605 nan 8.370 nan 0.000 0.514 248 I N -1.075 119.203 120.570 -0.486 0.000 2.916 248 I HA -0.059 4.108 4.170 -0.004 0.000 0.267 248 I C 0.355 176.167 176.117 -0.508 0.000 1.263 248 I CA 0.670 61.645 61.300 -0.542 0.000 1.471 248 I CB -0.335 37.196 38.000 -0.781 0.000 1.089 248 I HN 0.023 nan 8.210 nan 0.000 0.468 249 F N 2.046 121.907 119.950 -0.149 0.000 2.639 249 F HA 0.189 4.713 4.527 -0.006 0.000 0.302 249 F C 2.309 178.074 175.800 -0.058 0.000 1.097 249 F CA -0.687 57.236 58.000 -0.128 0.000 1.294 249 F CB -0.654 38.228 39.000 -0.196 0.000 1.027 249 F HN 0.218 nan 8.300 nan 0.000 0.550 250 Q N -0.006 119.839 119.800 0.075 0.000 2.197 250 Q HA -0.220 4.117 4.340 -0.004 0.000 0.207 250 Q C 0.792 176.836 176.000 0.075 0.000 0.984 250 Q CA 1.856 57.696 55.803 0.061 0.000 0.869 250 Q CB -0.418 28.339 28.738 0.031 0.000 0.906 250 Q HN 0.242 nan 8.270 nan 0.000 0.426 251 N N -0.009 118.749 118.700 0.097 0.000 2.336 251 N HA 0.147 4.885 4.740 -0.004 0.000 0.189 251 N C -0.469 175.111 175.510 0.116 0.000 1.113 251 N CA 0.063 53.172 53.050 0.098 0.000 0.858 251 N CB 0.275 38.822 38.487 0.100 0.000 0.970 251 N HN 0.136 nan 8.380 nan 0.000 0.471 252 L N 0.916 122.217 121.223 0.130 0.000 2.418 252 L HA 0.152 4.489 4.340 -0.004 0.000 0.265 252 L C 1.397 178.303 176.870 0.059 0.000 1.143 252 L CA -0.088 54.819 54.840 0.113 0.000 0.809 252 L CB 0.598 42.693 42.059 0.060 0.000 1.124 252 L HN 0.060 nan 8.230 nan 0.000 0.456 253 T N -1.603 112.980 114.554 0.047 0.000 2.828 253 T HA 0.145 4.492 4.350 -0.004 0.000 0.290 253 T C 1.156 175.854 174.700 -0.002 0.000 1.019 253 T CA -0.621 61.492 62.100 0.023 0.000 1.031 253 T CB 0.701 69.582 68.868 0.021 0.000 1.001 253 T HN 0.439 nan 8.240 nan 0.000 0.531 254 K N 0.712 121.106 120.400 -0.009 0.000 2.063 254 K HA -0.103 4.215 4.320 -0.004 0.000 0.208 254 K C 2.152 178.728 176.600 -0.039 0.000 1.048 254 K CA 1.547 57.818 56.287 -0.027 0.000 0.928 254 K CB -0.428 32.058 32.500 -0.023 0.000 0.713 254 K HN 0.658 nan 8.250 nan 0.000 0.442 255 K N 0.443 120.826 120.400 -0.028 0.000 2.032 255 K HA -0.186 4.132 4.320 -0.004 0.000 0.209 255 K C 2.338 178.914 176.600 -0.039 0.000 1.048 255 K CA 1.662 57.931 56.287 -0.032 0.000 0.927 255 K CB -0.046 32.444 32.500 -0.016 0.000 0.712 255 K HN 0.279 nan 8.250 nan 0.000 0.441 256 Q N 0.033 119.818 119.800 -0.026 0.000 2.050 256 Q HA -0.137 4.200 4.340 -0.004 0.000 0.202 256 Q C 2.183 178.111 176.000 -0.120 0.000 0.980 256 Q CA 1.356 57.137 55.803 -0.037 0.000 0.840 256 Q CB -0.063 28.687 28.738 0.019 0.000 0.898 256 Q HN 0.239 nan 8.270 nan 0.000 0.424 257 R N 0.494 120.915 120.500 -0.132 0.000 2.081 257 R HA -0.156 4.182 4.340 -0.004 0.000 0.235 257 R C 2.327 178.520 176.300 -0.178 0.000 1.131 257 R CA 1.422 57.402 56.100 -0.200 0.000 0.960 257 R CB -0.166 30.051 30.300 -0.139 0.000 0.856 257 R HN 0.372 nan 8.270 nan 0.000 0.436 258 Q N -0.183 119.541 119.800 -0.126 0.000 2.124 258 Q HA -0.144 4.194 4.340 -0.004 0.000 0.202 258 Q C 2.251 178.183 176.000 -0.113 0.000 0.977 258 Q CA 1.662 57.394 55.803 -0.117 0.000 0.850 258 Q CB -0.131 28.552 28.738 -0.093 0.000 0.901 258 Q HN 0.228 nan 8.270 nan 0.000 0.429 259 S N 0.766 116.404 115.700 -0.103 0.000 2.355 259 S HA -0.134 4.334 4.470 -0.004 0.000 0.222 259 S C 1.920 176.479 174.600 -0.068 0.000 1.031 259 S CA 0.769 58.919 58.200 -0.083 0.000 0.993 259 S CB -0.172 62.995 63.200 -0.055 0.000 0.859 259 S HN 0.307 nan 8.310 nan 0.000 0.453 260 L N 2.293 123.438 121.223 -0.132 0.000 2.012 260 L HA 0.006 4.344 4.340 -0.004 0.000 0.210 260 L C 2.512 179.334 176.870 -0.080 0.000 1.073 260 L CA 2.271 57.003 54.840 -0.179 0.000 0.748 260 L CB -0.960 40.838 42.059 -0.435 0.000 0.891 260 L HN 0.348 nan 8.230 nan 0.000 0.431 261 R N -0.367 120.071 120.500 -0.103 0.000 2.083 261 R HA -0.239 4.099 4.340 -0.004 0.000 0.237 261 R C 2.509 178.836 176.300 0.045 0.000 1.137 261 R CA 2.067 58.151 56.100 -0.027 0.000 0.951 261 R CB -0.309 29.857 30.300 -0.223 0.000 0.851 261 R HN 0.434 nan 8.270 nan 0.000 0.434 262 K N 0.042 120.441 120.400 -0.001 0.000 2.057 262 K HA -0.137 4.180 4.320 -0.004 0.000 0.207 262 K C 2.129 178.808 176.600 0.132 0.000 1.049 262 K CA 1.751 58.061 56.287 0.038 0.000 0.931 262 K CB -0.021 32.462 32.500 -0.027 0.000 0.714 262 K HN 0.220 nan 8.250 nan 0.000 0.440 263 M N 0.236 119.926 119.600 0.150 0.000 2.132 263 M HA -0.152 4.326 4.480 -0.004 0.000 0.263 263 M C 2.125 178.519 176.300 0.156 0.000 1.065 263 M CA 1.178 56.593 55.300 0.191 0.000 1.122 263 M CB -0.072 32.630 32.600 0.169 0.000 1.365 263 M HN -0.015 nan 8.290 nan 0.000 0.411 264 V N 0.705 120.730 119.914 0.185 0.000 2.407 264 V HA -0.250 3.867 4.120 -0.004 0.000 0.248 264 V C 2.191 178.420 176.094 0.225 0.000 1.055 264 V CA 1.615 64.054 62.300 0.232 0.000 1.049 264 V CB -0.552 31.502 31.823 0.386 0.000 0.662 264 V HN 0.425 nan 8.190 nan 0.000 0.455 265 I N 0.010 120.732 120.570 0.252 0.000 2.202 265 I HA -0.213 3.954 4.170 -0.004 0.000 0.242 265 I C 2.303 178.503 176.117 0.138 0.000 1.091 265 I CA 1.596 63.022 61.300 0.210 0.000 1.368 265 I CB -0.496 37.609 38.000 0.175 0.000 1.058 265 I HN 0.295 nan 8.210 nan 0.000 0.410 266 D N 0.952 121.429 120.400 0.129 0.000 2.149 266 D HA -0.146 4.492 4.640 -0.004 0.000 0.198 266 D C 2.210 178.551 176.300 0.068 0.000 0.990 266 D CA 1.351 55.411 54.000 0.100 0.000 0.839 266 D CB -0.132 40.744 40.800 0.126 0.000 0.948 266 D HN 0.346 nan 8.370 nan 0.000 0.460 267 I N 0.115 120.728 120.570 0.072 0.000 2.162 267 I HA -0.206 3.961 4.170 -0.004 0.000 0.238 267 I C 2.415 178.563 176.117 0.053 0.000 1.076 267 I CA 0.573 61.898 61.300 0.042 0.000 1.353 267 I CB -0.225 37.795 38.000 0.033 0.000 1.063 267 I HN -0.122 nan 8.210 nan 0.000 0.408 268 V N 1.195 121.159 119.914 0.083 0.000 2.343 268 V HA -0.270 3.847 4.120 -0.004 0.000 0.247 268 V C 2.386 178.543 176.094 0.105 0.000 1.051 268 V CA 1.643 64.008 62.300 0.108 0.000 1.036 268 V CB -0.551 31.343 31.823 0.119 0.000 0.654 268 V HN 0.380 nan 8.190 nan 0.000 0.451 269 L N 0.169 121.441 121.223 0.082 0.000 2.265 269 L HA -0.120 4.218 4.340 -0.004 0.000 0.215 269 L C 2.446 179.343 176.870 0.043 0.000 1.117 269 L CA 1.242 56.118 54.840 0.059 0.000 0.782 269 L CB -0.600 41.487 42.059 0.046 0.000 0.914 269 L HN 0.382 nan 8.230 nan 0.000 0.441 270 A N -0.497 122.340 122.820 0.028 0.000 2.235 270 A HA -0.083 4.234 4.320 -0.004 0.000 0.208 270 A C 2.172 179.736 177.584 -0.035 0.000 1.172 270 A CA 1.303 53.325 52.037 -0.026 0.000 0.786 270 A CB -0.632 18.339 19.000 -0.049 0.000 0.804 270 A HN 0.494 nan 8.150 nan 0.000 0.479 271 T N -2.756 111.841 114.554 0.072 0.000 3.081 271 T HA 0.013 4.361 4.350 -0.004 0.000 0.255 271 T C 0.549 175.363 174.700 0.191 0.000 1.113 271 T CA 0.370 62.574 62.100 0.173 0.000 1.082 271 T CB -0.343 68.683 68.868 0.263 0.000 0.939 271 T HN 0.294 nan 8.240 nan 0.000 0.506 272 D N 1.570 122.047 120.400 0.128 0.000 2.382 272 D HA 0.032 4.670 4.640 -0.004 0.000 0.259 272 D C 1.258 177.634 176.300 0.127 0.000 1.224 272 D CA -0.279 53.794 54.000 0.121 0.000 0.894 272 D CB 0.642 41.487 40.800 0.074 0.000 1.127 272 D HN -0.027 nan 8.370 nan 0.000 0.487 273 M N 2.736 122.439 119.600 0.172 0.000 2.260 273 M HA -0.191 4.287 4.480 -0.004 0.000 0.261 273 M C 1.987 178.393 176.300 0.177 0.000 1.066 273 M CA 1.034 56.457 55.300 0.206 0.000 1.082 273 M CB -1.208 31.506 32.600 0.191 0.000 1.388 273 M HN 0.548 nan 8.290 nan 0.000 0.419 274 S N -0.584 115.188 115.700 0.120 0.000 2.507 274 S HA -0.074 4.394 4.470 -0.004 0.000 0.235 274 S C 1.553 176.204 174.600 0.084 0.000 0.988 274 S CA 0.660 58.918 58.200 0.098 0.000 0.944 274 S CB -0.120 63.120 63.200 0.067 0.000 0.762 274 S HN 0.348 nan 8.310 nan 0.000 0.526 275 K N 0.381 120.824 120.400 0.071 0.000 2.361 275 K HA 0.137 4.455 4.320 -0.004 0.000 0.194 275 K C 1.546 178.147 176.600 0.002 0.000 1.032 275 K CA 0.644 56.943 56.287 0.020 0.000 1.048 275 K CB -0.596 31.894 32.500 -0.018 0.000 0.842 275 K HN 0.635 nan 8.250 nan 0.000 0.526 276 H N 2.174 121.233 119.070 -0.018 0.000 2.255 276 H HA -0.158 4.395 4.556 -0.005 0.000 0.290 276 H C 1.909 177.264 175.328 0.046 0.000 1.087 276 H CA 2.395 58.454 56.048 0.019 0.000 1.213 276 H CB 0.061 29.929 29.762 0.178 0.000 1.349 276 H HN -0.102 nan 8.280 nan 0.000 0.487 277 M N 0.454 119.977 119.600 -0.127 0.000 2.073 277 M HA -0.206 4.271 4.480 -0.004 0.000 0.258 277 M C 1.951 178.162 176.300 -0.149 0.000 1.070 277 M CA 1.564 56.766 55.300 -0.162 0.000 1.103 277 M CB -1.076 31.538 32.600 0.024 0.000 1.321 277 M HN 0.456 nan 8.290 nan 0.000 0.405 278 N N 0.182 118.831 118.700 -0.085 0.000 2.270 278 N HA -0.028 4.709 4.740 -0.004 0.000 0.181 278 N C 1.933 177.391 175.510 -0.087 0.000 1.016 278 N CA 0.757 53.768 53.050 -0.064 0.000 0.870 278 N CB -0.239 38.229 38.487 -0.032 0.000 0.979 278 N HN 0.368 nan 8.380 nan 0.000 0.431 279 L N 0.371 121.517 121.223 -0.127 0.000 2.046 279 L HA -0.125 4.213 4.340 -0.004 0.000 0.208 279 L C 2.116 178.921 176.870 -0.108 0.000 1.077 279 L CA 0.781 55.546 54.840 -0.126 0.000 0.747 279 L CB -0.121 41.819 42.059 -0.199 0.000 0.896 279 L HN 0.124 nan 8.230 nan 0.000 0.432 280 L N -0.420 120.698 121.223 -0.175 0.000 2.109 280 L HA -0.045 4.292 4.340 -0.004 0.000 0.207 280 L C 2.533 179.361 176.870 -0.071 0.000 1.086 280 L CA 1.834 56.598 54.840 -0.126 0.000 0.760 280 L CB -0.661 41.260 42.059 -0.230 0.000 0.910 280 L HN 0.134 nan 8.230 nan 0.000 0.437 281 A N -0.375 122.400 122.820 -0.075 0.000 1.865 281 A HA -0.224 4.094 4.320 -0.004 0.000 0.217 281 A C 1.961 179.528 177.584 -0.028 0.000 1.191 281 A CA 1.966 53.980 52.037 -0.039 0.000 0.623 281 A CB -0.896 18.084 19.000 -0.032 0.000 0.826 281 A HN 0.535 nan 8.150 nan 0.000 0.444 282 D N -0.377 120.004 120.400 -0.032 0.000 2.144 282 D HA -0.132 4.506 4.640 -0.004 0.000 0.199 282 D C 1.816 178.105 176.300 -0.019 0.000 0.984 282 D CA 1.273 55.259 54.000 -0.023 0.000 0.834 282 D CB -0.482 40.303 40.800 -0.024 0.000 0.955 282 D HN 0.357 nan 8.370 nan 0.000 0.465 283 L N 1.269 122.483 121.223 -0.016 0.000 2.027 283 L HA -0.133 4.204 4.340 -0.004 0.000 0.206 283 L C 1.947 178.809 176.870 -0.013 0.000 1.074 283 L CA 1.748 56.587 54.840 -0.003 0.000 0.745 283 L CB -0.331 41.743 42.059 0.024 0.000 0.898 283 L HN -0.163 nan 8.230 nan 0.000 0.433 284 K N -1.242 119.152 120.400 -0.011 0.000 2.063 284 K HA -0.160 4.158 4.320 -0.004 0.000 0.208 284 K C 1.919 178.508 176.600 -0.018 0.000 1.048 284 K CA 1.967 58.247 56.287 -0.011 0.000 0.928 284 K CB -0.488 32.010 32.500 -0.004 0.000 0.713 284 K HN 0.383 nan 8.250 nan 0.000 0.442 285 T N 1.672 116.216 114.554 -0.017 0.000 2.720 285 T HA -0.187 4.160 4.350 -0.004 0.000 0.268 285 T C 1.708 176.393 174.700 -0.025 0.000 1.037 285 T CA 1.484 63.573 62.100 -0.018 0.000 1.144 285 T CB -0.127 68.732 68.868 -0.015 0.000 0.864 285 T HN 0.279 nan 8.240 nan 0.000 0.444 286 M N 0.876 120.459 119.600 -0.028 0.000 2.279 286 M HA -0.061 4.416 4.480 -0.004 0.000 0.264 286 M C 1.717 177.987 176.300 -0.050 0.000 1.062 286 M CA 1.273 56.551 55.300 -0.037 0.000 1.099 286 M CB -0.097 32.481 32.600 -0.037 0.000 1.394 286 M HN 0.062 nan 8.290 nan 0.000 0.426 287 V N 0.298 120.181 119.914 -0.051 0.000 3.217 287 V HA -0.133 3.985 4.120 -0.004 0.000 0.264 287 V C 1.708 177.771 176.094 -0.052 0.000 1.135 287 V CA 1.346 63.608 62.300 -0.063 0.000 1.142 287 V CB -0.709 31.077 31.823 -0.061 0.000 0.754 287 V HN 0.516 nan 8.190 nan 0.000 0.484 288 E N 0.577 120.753 120.200 -0.040 0.000 2.060 288 E HA -0.112 4.236 4.350 -0.004 0.000 0.189 288 E C 2.268 178.846 176.600 -0.036 0.000 0.974 288 E CA 1.521 57.900 56.400 -0.034 0.000 0.808 288 E CB -0.137 29.549 29.700 -0.025 0.000 0.768 288 E HN 0.717 nan 8.360 nan 0.000 0.453 289 T N -0.362 114.171 114.554 -0.035 0.000 3.148 289 T HA 0.022 4.370 4.350 -0.004 0.000 0.253 289 T C 0.825 175.500 174.700 -0.043 0.000 1.134 289 T CA -0.231 61.848 62.100 -0.034 0.000 1.051 289 T CB -0.109 68.742 68.868 -0.029 0.000 0.959 289 T HN -0.078 nan 8.240 nan 0.000 0.525 290 K N 1.689 122.058 120.400 -0.052 0.000 2.604 290 K HA -0.106 4.212 4.320 -0.004 0.000 0.278 290 K C -0.341 176.223 176.600 -0.061 0.000 0.975 290 K CA 0.688 56.937 56.287 -0.065 0.000 1.066 290 K CB 0.212 32.667 32.500 -0.076 0.000 0.840 290 K HN 0.450 nan 8.250 nan 0.000 0.491 291 K N 2.835 123.196 120.400 -0.066 0.000 2.546 291 K HA 0.357 4.674 4.320 -0.004 0.000 0.264 291 K C -1.043 175.517 176.600 -0.068 0.000 0.937 291 K CA -0.845 55.406 56.287 -0.060 0.000 0.833 291 K CB 1.652 34.121 32.500 -0.052 0.000 1.378 291 K HN 0.473 nan 8.250 nan 0.000 0.432 292 V N -1.699 118.178 119.914 -0.062 0.000 3.329 292 V HA 0.697 4.814 4.120 -0.004 0.000 0.308 292 V C -0.303 175.759 176.094 -0.054 0.000 1.375 292 V CA -0.162 62.099 62.300 -0.064 0.000 1.015 292 V CB 1.076 32.861 31.823 -0.063 0.000 1.155 292 V HN 0.966 nan 8.190 nan 0.000 0.479 293 T N -3.287 111.237 114.554 -0.050 0.000 2.762 293 T HA 0.449 4.797 4.350 -0.004 0.000 0.272 293 T C 0.813 175.491 174.700 -0.036 0.000 0.982 293 T CA 0.224 62.299 62.100 -0.042 0.000 1.013 293 T CB 1.092 69.935 68.868 -0.043 0.000 1.309 293 T HN 0.714 nan 8.240 nan 0.000 0.572 294 S N 0.654 116.336 115.700 -0.031 0.000 2.507 294 S HA -0.005 4.462 4.470 -0.004 0.000 0.235 294 S C 1.838 176.423 174.600 -0.024 0.000 0.988 294 S CA 0.907 59.091 58.200 -0.026 0.000 0.944 294 S CB -0.494 62.692 63.200 -0.022 0.000 0.762 294 S HN 0.858 nan 8.310 nan 0.000 0.526 295 S N -0.044 115.640 115.700 -0.027 0.000 2.557 295 S HA 0.451 4.919 4.470 -0.004 0.000 0.223 295 S C 1.401 175.985 174.600 -0.027 0.000 0.969 295 S CA 0.363 58.548 58.200 -0.024 0.000 0.927 295 S CB 0.224 63.409 63.200 -0.024 0.000 0.806 295 S HN 0.612 nan 8.310 nan 0.000 0.489 296 G N 0.723 109.504 108.800 -0.032 0.000 2.179 296 G HA2 -0.257 3.700 3.960 -0.004 0.000 0.260 296 G HA3 -0.257 3.700 3.960 -0.004 0.000 0.260 296 G C 0.065 174.937 174.900 -0.047 0.000 0.977 296 G CA 0.082 45.162 45.100 -0.035 0.000 0.641 296 G HN 0.659 nan 8.290 nan 0.000 0.533 297 V N 1.861 121.745 119.914 -0.050 0.000 2.555 297 V HA 0.479 4.597 4.120 -0.004 0.000 0.286 297 V C 1.216 177.262 176.094 -0.081 0.000 1.044 297 V CA -0.386 61.876 62.300 -0.063 0.000 1.026 297 V CB 1.345 33.133 31.823 -0.058 0.000 0.981 297 V HN 0.499 nan 8.190 nan 0.000 0.480 298 L N 5.615 126.777 121.223 -0.102 0.000 2.492 298 L HA 0.216 4.554 4.340 -0.004 0.000 0.280 298 L C -0.236 176.558 176.870 -0.126 0.000 1.240 298 L CA 0.719 55.487 54.840 -0.120 0.000 0.831 298 L CB 0.325 42.296 42.059 -0.147 0.000 1.100 298 L HN 0.664 nan 8.230 nan 0.000 0.505 299 L N 5.415 126.569 121.223 -0.116 0.000 2.406 299 L HA 0.482 4.819 4.340 -0.004 0.000 0.270 299 L C -1.584 175.221 176.870 -0.108 0.000 0.982 299 L CA -0.446 54.328 54.840 -0.109 0.000 0.843 299 L CB 0.851 42.862 42.059 -0.080 0.000 1.225 299 L HN 0.528 nan 8.230 nan 0.000 0.412 300 L N 4.756 125.901 121.223 -0.131 0.000 2.277 300 L HA 0.364 4.702 4.340 -0.004 0.000 0.284 300 L C 0.324 177.150 176.870 -0.073 0.000 1.028 300 L CA -0.639 54.137 54.840 -0.107 0.000 0.835 300 L CB 1.429 43.403 42.059 -0.141 0.000 1.215 300 L HN 0.623 nan 8.230 nan 0.000 0.425 301 D N 1.475 121.847 120.400 -0.046 0.000 2.157 301 D HA -0.159 4.478 4.640 -0.004 0.000 0.197 301 D C 0.868 177.166 176.300 -0.002 0.000 0.995 301 D CA 1.744 55.729 54.000 -0.024 0.000 0.860 301 D CB 0.110 40.900 40.800 -0.016 0.000 1.016 301 D HN 0.640 nan 8.370 nan 0.000 0.452 302 N N -1.071 117.639 118.700 0.015 0.000 2.813 302 N HA 0.005 4.743 4.740 -0.004 0.000 0.320 302 N C 0.648 176.211 175.510 0.087 0.000 1.315 302 N CA -0.596 52.490 53.050 0.059 0.000 0.871 302 N CB 0.020 38.548 38.487 0.068 0.000 1.241 302 N HN 0.106 nan 8.380 nan 0.000 0.602 303 Y N 0.846 121.160 120.300 0.024 0.000 2.128 303 Y HA -0.170 4.378 4.550 -0.004 0.000 0.284 303 Y C 2.424 178.351 175.900 0.045 0.000 1.154 303 Y CA 2.261 60.385 58.100 0.040 0.000 1.149 303 Y CB -0.555 37.924 38.460 0.032 0.000 0.976 303 Y HN 0.542 nan 8.280 nan 0.000 0.505 304 S N 0.367 116.083 115.700 0.026 0.000 2.380 304 S HA -0.240 4.227 4.470 -0.004 0.000 0.229 304 S C 1.561 176.099 174.600 -0.104 0.000 1.043 304 S CA 1.691 59.861 58.200 -0.049 0.000 1.038 304 S CB -0.417 62.804 63.200 0.034 0.000 0.872 304 S HN 0.605 nan 8.310 nan 0.000 0.456 305 D N 0.511 120.872 120.400 -0.064 0.000 2.162 305 D HA 0.018 4.655 4.640 -0.004 0.000 0.203 305 D C 2.177 178.452 176.300 -0.042 0.000 0.967 305 D CA 0.616 54.587 54.000 -0.049 0.000 0.840 305 D CB -0.164 40.614 40.800 -0.036 0.000 0.972 305 D HN 0.306 nan 8.370 nan 0.000 0.482 306 R N 0.308 120.777 120.500 -0.051 0.000 2.092 306 R HA -0.062 4.276 4.340 -0.004 0.000 0.231 306 R C 2.264 178.578 176.300 0.024 0.000 1.119 306 R CA 0.458 56.599 56.100 0.067 0.000 0.970 306 R CB -0.348 30.014 30.300 0.104 0.000 0.864 306 R HN 0.157 nan 8.270 nan 0.000 0.440 307 I N 1.362 121.760 120.570 -0.287 0.000 2.439 307 I HA -0.205 3.963 4.170 -0.004 0.000 0.251 307 I C 2.425 178.460 176.117 -0.136 0.000 1.139 307 I CA 1.344 62.451 61.300 -0.323 0.000 1.438 307 I CB -0.224 37.342 38.000 -0.725 0.000 1.085 307 I HN 0.122 nan 8.210 nan 0.000 0.427 308 Q N -0.404 119.335 119.800 -0.102 0.000 2.119 308 Q HA -0.156 4.181 4.340 -0.004 0.000 0.201 308 Q C 2.182 178.204 176.000 0.037 0.000 0.972 308 Q CA 1.915 57.698 55.803 -0.033 0.000 0.847 308 Q CB 0.057 28.778 28.738 -0.029 0.000 0.903 308 Q HN 0.422 nan 8.270 nan 0.000 0.433 309 V N 0.787 120.754 119.914 0.089 0.000 2.427 309 V HA -0.249 3.869 4.120 -0.004 0.000 0.248 309 V C 2.181 178.392 176.094 0.195 0.000 1.051 309 V CA 1.323 63.747 62.300 0.208 0.000 1.048 309 V CB -0.383 31.614 31.823 0.290 0.000 0.666 309 V HN 0.386 nan 8.190 nan 0.000 0.456 310 L N -0.688 120.568 121.223 0.055 0.000 2.072 310 L HA -0.187 4.151 4.340 -0.004 0.000 0.205 310 L C 2.673 179.511 176.870 -0.053 0.000 1.079 310 L CA 1.455 56.245 54.840 -0.083 0.000 0.752 310 L CB -0.571 41.381 42.059 -0.179 0.000 0.906 310 L HN 0.357 nan 8.230 nan 0.000 0.436 311 Q N -0.104 119.680 119.800 -0.027 0.000 2.020 311 Q HA -0.192 4.146 4.340 -0.004 0.000 0.202 311 Q C 2.016 178.009 176.000 -0.012 0.000 0.982 311 Q CA 1.500 57.287 55.803 -0.026 0.000 0.838 311 Q CB -0.209 28.510 28.738 -0.031 0.000 0.899 311 Q HN 0.494 nan 8.270 nan 0.000 0.423 312 N N 0.448 119.163 118.700 0.025 0.000 2.223 312 N HA -0.146 4.592 4.740 -0.004 0.000 0.185 312 N C 1.725 177.144 175.510 -0.153 0.000 1.016 312 N CA 0.956 54.032 53.050 0.044 0.000 0.863 312 N CB -0.122 38.456 38.487 0.151 0.000 0.983 312 N HN 0.296 nan 8.380 nan 0.000 0.429 313 M N 0.748 120.237 119.600 -0.185 0.000 2.067 313 M HA -0.132 4.345 4.480 -0.004 0.000 0.260 313 M C 1.823 177.887 176.300 -0.394 0.000 1.069 313 M CA 1.429 56.415 55.300 -0.523 0.000 1.117 313 M CB 0.009 32.470 32.600 -0.231 0.000 1.334 313 M HN -0.147 nan 8.290 nan 0.000 0.407 314 V N -0.143 119.646 119.914 -0.208 0.000 2.515 314 V HA -0.269 3.849 4.120 -0.004 0.000 0.250 314 V C 2.332 178.345 176.094 -0.136 0.000 1.058 314 V CA 2.188 64.384 62.300 -0.173 0.000 1.064 314 V CB -1.293 30.452 31.823 -0.130 0.000 0.675 314 V HN 0.607 nan 8.190 nan 0.000 0.461 315 H N -0.439 118.513 119.070 -0.197 0.000 2.357 315 H HA -0.158 4.396 4.556 -0.004 0.000 0.301 315 H C 2.233 177.451 175.328 -0.183 0.000 1.082 315 H CA 2.159 58.128 56.048 -0.132 0.000 1.342 315 H CB -0.534 29.182 29.762 -0.077 0.000 1.389 315 H HN 0.407 nan 8.280 nan 0.000 0.511 316 C N 0.334 119.378 119.300 -0.426 0.000 2.446 316 C HA 0.035 4.493 4.460 -0.004 0.000 0.277 316 C C 3.110 178.001 174.990 -0.164 0.000 1.275 316 C CA 0.971 59.581 59.018 -0.680 0.000 1.727 316 C CB -1.294 25.535 27.740 -1.519 0.000 2.010 316 C HN 0.777 nan 8.230 nan 0.000 0.486 317 A N 0.381 123.110 122.820 -0.152 0.000 1.933 317 A HA -0.251 4.066 4.320 -0.004 0.000 0.218 317 A C 1.831 179.368 177.584 -0.078 0.000 1.175 317 A CA 2.368 54.394 52.037 -0.018 0.000 0.628 317 A CB -0.697 18.237 19.000 -0.111 0.000 0.814 317 A HN 0.586 nan 8.150 nan 0.000 0.444 318 D N -0.618 119.712 120.400 -0.116 0.000 2.178 318 D HA -0.032 4.605 4.640 -0.004 0.000 0.202 318 D C 0.908 177.256 176.300 0.080 0.000 0.974 318 D CA 0.757 54.744 54.000 -0.022 0.000 0.841 318 D CB -0.088 40.715 40.800 0.005 0.000 0.953 318 D HN 0.383 nan 8.370 nan 0.000 0.478 319 L N 0.475 121.710 121.223 0.021 0.000 3.084 319 L HA 0.258 4.595 4.340 -0.004 0.000 0.238 319 L C 0.935 177.936 176.870 0.219 0.000 1.327 319 L CA -0.140 54.754 54.840 0.090 0.000 1.094 319 L CB 0.431 42.445 42.059 -0.076 0.000 1.477 319 L HN 0.012 nan 8.230 nan 0.000 0.514 320 S N -3.586 112.200 115.700 0.144 0.000 2.539 320 S HA 0.045 4.512 4.470 -0.004 0.000 0.221 320 S C 1.123 175.632 174.600 -0.152 0.000 0.987 320 S CA -0.340 57.923 58.200 0.105 0.000 0.929 320 S CB -0.154 63.146 63.200 0.165 0.000 0.832 320 S HN 0.498 nan 8.310 nan 0.000 0.492 321 N N 3.066 121.673 118.700 -0.155 0.000 2.061 321 N HA -0.069 4.668 4.740 -0.004 0.000 0.193 321 N C -1.331 173.961 175.510 -0.362 0.000 1.030 321 N CA 1.576 54.541 53.050 -0.140 0.000 0.856 321 N CB -0.886 37.639 38.487 0.063 0.000 1.023 321 N HN 0.413 nan 8.380 nan 0.000 0.424 322 P HA -0.077 nan 4.420 nan 0.000 0.230 322 P C 1.003 177.911 177.300 -0.652 0.000 1.158 322 P CA 1.191 63.562 63.100 -1.215 0.000 0.769 322 P CB -0.024 31.288 31.700 -0.647 0.000 0.807 323 T N -5.200 109.099 114.554 -0.425 0.000 3.086 323 T HA 0.151 4.498 4.350 -0.004 0.000 0.250 323 T C 0.804 175.488 174.700 -0.027 0.000 1.074 323 T CA -0.111 61.817 62.100 -0.286 0.000 0.988 323 T CB -0.265 68.285 68.868 -0.529 0.000 0.988 323 T HN -0.174 nan 8.240 nan 0.000 0.530 324 K N 2.189 122.537 120.400 -0.085 0.000 2.090 324 K HA 0.461 4.779 4.320 -0.004 0.000 0.249 324 K C -2.836 173.804 176.600 0.066 0.000 0.995 324 K CA -2.949 53.329 56.287 -0.016 0.000 0.914 324 K CB 0.306 32.783 32.500 -0.039 0.000 1.057 324 K HN 0.029 nan 8.250 nan 0.000 0.462 325 P HA -0.084 nan 4.420 nan 0.000 0.261 325 P C 0.954 178.301 177.300 0.079 0.000 1.173 325 P CA -0.023 63.118 63.100 0.069 0.000 0.760 325 P CB 0.360 32.099 31.700 0.065 0.000 0.783 326 L N 4.870 126.113 121.223 0.033 0.000 2.085 326 L HA -0.315 4.023 4.340 -0.004 0.000 0.218 326 L C 2.023 178.842 176.870 -0.084 0.000 1.080 326 L CA 2.026 56.847 54.840 -0.032 0.000 0.776 326 L CB -1.086 40.787 42.059 -0.310 0.000 0.891 326 L HN 0.433 nan 8.230 nan 0.000 0.437 327 Q N -1.065 118.677 119.800 -0.097 0.000 2.181 327 Q HA -0.220 4.117 4.340 -0.004 0.000 0.205 327 Q C 2.254 178.212 176.000 -0.069 0.000 0.980 327 Q CA 1.863 57.596 55.803 -0.116 0.000 0.862 327 Q CB -0.340 28.337 28.738 -0.103 0.000 0.905 327 Q HN 0.563 nan 8.270 nan 0.000 0.429 328 L N -0.973 120.278 121.223 0.046 0.000 2.102 328 L HA -0.096 4.242 4.340 -0.004 0.000 0.202 328 L C 2.406 179.414 176.870 0.230 0.000 1.076 328 L CA 0.564 55.481 54.840 0.129 0.000 0.761 328 L CB -0.452 41.743 42.059 0.227 0.000 0.921 328 L HN 0.206 nan 8.230 nan 0.000 0.444 329 Y N 1.534 121.940 120.300 0.175 0.000 2.114 329 Y HA -0.256 4.292 4.550 -0.004 0.000 0.282 329 Y C 2.731 178.752 175.900 0.203 0.000 1.165 329 Y CA 1.447 59.717 58.100 0.283 0.000 1.148 329 Y CB -0.393 38.187 38.460 0.201 0.000 0.972 329 Y HN 0.027 nan 8.280 nan 0.000 0.504 330 R N 0.152 120.653 120.500 0.002 0.000 2.127 330 R HA -0.193 4.144 4.340 -0.004 0.000 0.238 330 R C 2.187 178.412 176.300 -0.125 0.000 1.134 330 R CA 1.736 57.755 56.100 -0.136 0.000 0.975 330 R CB -0.405 29.759 30.300 -0.227 0.000 0.865 330 R HN 0.599 nan 8.270 nan 0.000 0.447 331 Q N -1.157 118.510 119.800 -0.223 0.000 2.119 331 Q HA -0.161 4.176 4.340 -0.004 0.000 0.201 331 Q C 1.893 177.715 176.000 -0.297 0.000 0.972 331 Q CA 1.340 56.869 55.803 -0.457 0.000 0.847 331 Q CB -0.091 28.064 28.738 -0.973 0.000 0.903 331 Q HN 0.453 nan 8.270 nan 0.000 0.433 332 W N 0.323 121.710 121.300 0.144 0.000 2.381 332 W HA -0.127 4.531 4.660 -0.004 0.000 0.301 332 W C 2.403 179.005 176.519 0.138 0.000 1.205 332 W CA 0.975 58.474 57.345 0.256 0.000 1.285 332 W CB -0.213 29.471 29.460 0.374 0.000 1.133 332 W HN 0.053 nan 8.180 nan 0.000 0.521 333 T N 0.110 114.807 114.554 0.239 0.000 2.746 333 T HA -0.203 4.144 4.350 -0.004 0.000 0.267 333 T C 1.076 175.735 174.700 -0.068 0.000 1.039 333 T CA 1.790 63.896 62.100 0.011 0.000 1.142 333 T CB -0.505 68.323 68.868 -0.067 0.000 0.866 333 T HN 0.052 nan 8.240 nan 0.000 0.444 334 D N 0.787 121.156 120.400 -0.053 0.000 2.144 334 D HA -0.031 4.607 4.640 -0.004 0.000 0.199 334 D C 2.375 178.629 176.300 -0.076 0.000 0.984 334 D CA 0.902 54.853 54.000 -0.082 0.000 0.834 334 D CB -0.185 40.555 40.800 -0.100 0.000 0.955 334 D HN 0.331 nan 8.370 nan 0.000 0.465 335 R N -0.133 120.364 120.500 -0.006 0.000 2.062 335 R HA -0.044 4.293 4.340 -0.004 0.000 0.229 335 R C 2.280 178.603 176.300 0.039 0.000 1.128 335 R CA 0.453 56.596 56.100 0.072 0.000 0.960 335 R CB -0.273 30.152 30.300 0.208 0.000 0.855 335 R HN 0.104 nan 8.270 nan 0.000 0.432 336 I N 0.599 121.134 120.570 -0.058 0.000 2.252 336 I HA -0.237 3.930 4.170 -0.004 0.000 0.245 336 I C 1.801 177.556 176.117 -0.604 0.000 1.102 336 I CA 1.570 62.571 61.300 -0.499 0.000 1.385 336 I CB -0.036 37.408 38.000 -0.925 0.000 1.064 336 I HN 0.113 nan 8.210 nan 0.000 0.414 337 M N -0.242 119.027 119.600 -0.550 0.000 2.117 337 M HA -0.195 4.282 4.480 -0.004 0.000 0.262 337 M C 2.237 178.178 176.300 -0.599 0.000 1.065 337 M CA 1.484 56.342 55.300 -0.736 0.000 1.114 337 M CB -1.548 30.656 32.600 -0.660 0.000 1.361 337 M HN 0.380 nan 8.290 nan 0.000 0.408 338 E N 0.239 120.293 120.200 -0.243 0.000 2.118 338 E HA -0.243 4.105 4.350 -0.004 0.000 0.195 338 E C 1.965 178.582 176.600 0.028 0.000 0.992 338 E CA 1.426 57.808 56.400 -0.029 0.000 0.804 338 E CB 0.062 29.769 29.700 0.010 0.000 0.741 338 E HN 0.592 nan 8.360 nan 0.000 0.458 339 E N -0.792 119.416 120.200 0.013 0.000 2.072 339 E HA -0.157 4.190 4.350 -0.004 0.000 0.190 339 E C 1.801 178.520 176.600 0.200 0.000 0.982 339 E CA 0.744 57.211 56.400 0.113 0.000 0.803 339 E CB -0.057 29.730 29.700 0.144 0.000 0.755 339 E HN 0.212 nan 8.360 nan 0.000 0.453 340 F N 0.194 120.046 119.950 -0.164 0.000 2.102 340 F HA -0.157 4.368 4.527 -0.004 0.000 0.298 340 F C 2.048 177.854 175.800 0.011 0.000 1.105 340 F CA 0.860 58.776 58.000 -0.140 0.000 1.239 340 F CB -0.771 38.068 39.000 -0.268 0.000 0.991 340 F HN 0.116 nan 8.300 nan 0.000 0.474 341 F N 0.416 120.451 119.950 0.143 0.000 2.171 341 F HA -0.157 4.367 4.527 -0.004 0.000 0.300 341 F C 2.416 178.219 175.800 0.005 0.000 1.090 341 F CA 0.942 58.965 58.000 0.038 0.000 1.293 341 F CB -1.274 37.726 39.000 0.001 0.000 1.013 341 F HN -0.044 nan 8.300 nan 0.000 0.486 342 R N -0.158 120.461 120.500 0.198 0.000 2.081 342 R HA -0.197 4.141 4.340 -0.004 0.000 0.235 342 R C 2.174 178.486 176.300 0.019 0.000 1.131 342 R CA 1.438 57.591 56.100 0.089 0.000 0.960 342 R CB -0.632 29.706 30.300 0.064 0.000 0.856 342 R HN 0.375 nan 8.270 nan 0.000 0.436 343 Q N 0.117 119.905 119.800 -0.021 0.000 2.084 343 Q HA -0.120 4.218 4.340 -0.004 0.000 0.202 343 Q C 2.031 178.006 176.000 -0.042 0.000 0.978 343 Q CA 1.715 57.425 55.803 -0.155 0.000 0.844 343 Q CB -0.186 28.415 28.738 -0.229 0.000 0.898 343 Q HN 0.423 nan 8.270 nan 0.000 0.426 344 G N 0.574 109.400 108.800 0.044 0.000 2.422 344 G HA2 -0.263 3.694 3.960 -0.004 0.000 0.218 344 G HA3 -0.263 3.694 3.960 -0.004 0.000 0.218 344 G C 0.946 175.886 174.900 0.066 0.000 1.146 344 G CA 1.033 46.178 45.100 0.076 0.000 0.769 344 G HN 0.376 nan 8.290 nan 0.000 0.547 345 D N 0.431 120.862 120.400 0.052 0.000 2.117 345 D HA -0.046 4.592 4.640 -0.004 0.000 0.197 345 D C 2.685 179.024 176.300 0.065 0.000 0.987 345 D CA 0.547 54.574 54.000 0.045 0.000 0.829 345 D CB -0.207 40.612 40.800 0.032 0.000 0.961 345 D HN 0.238 nan 8.370 nan 0.000 0.460 346 R N 0.722 121.259 120.500 0.062 0.000 2.081 346 R HA -0.074 4.264 4.340 -0.004 0.000 0.235 346 R C 2.162 178.579 176.300 0.194 0.000 1.131 346 R CA 0.847 57.012 56.100 0.109 0.000 0.960 346 R CB -0.227 30.107 30.300 0.056 0.000 0.856 346 R HN 0.381 nan 8.270 nan 0.000 0.436 347 E N 0.241 120.574 120.200 0.221 0.000 2.110 347 E HA -0.198 4.149 4.350 -0.004 0.000 0.193 347 E C 2.116 178.791 176.600 0.125 0.000 0.988 347 E CA 0.876 57.415 56.400 0.232 0.000 0.804 347 E CB -0.080 29.748 29.700 0.213 0.000 0.745 347 E HN 0.215 nan 8.360 nan 0.000 0.458 348 R N 1.271 121.831 120.500 0.100 0.000 2.066 348 R HA -0.145 4.192 4.340 -0.004 0.000 0.232 348 R C 1.985 178.325 176.300 0.066 0.000 1.131 348 R CA 1.452 57.598 56.100 0.075 0.000 0.955 348 R CB 0.082 30.428 30.300 0.076 0.000 0.851 348 R HN 0.130 nan 8.270 nan 0.000 0.432 349 E N 0.034 120.277 120.200 0.071 0.000 2.070 349 E HA -0.226 4.122 4.350 -0.004 0.000 0.197 349 E C 1.925 178.557 176.600 0.053 0.000 1.004 349 E CA 1.445 57.881 56.400 0.059 0.000 0.805 349 E CB -0.052 29.687 29.700 0.066 0.000 0.744 349 E HN 0.327 nan 8.360 nan 0.000 0.451 350 R N -0.407 120.132 120.500 0.066 0.000 2.323 350 R HA 0.051 4.389 4.340 -0.004 0.000 0.198 350 R C 1.125 177.439 176.300 0.024 0.000 0.988 350 R CA 0.470 56.596 56.100 0.043 0.000 1.041 350 R CB 0.182 30.511 30.300 0.048 0.000 0.926 350 R HN 0.270 nan 8.270 nan 0.000 0.476 351 G N 1.152 109.971 108.800 0.031 0.000 2.179 351 G HA2 -0.324 3.633 3.960 -0.004 0.000 0.257 351 G HA3 -0.324 3.633 3.960 -0.004 0.000 0.257 351 G C 0.150 175.059 174.900 0.014 0.000 1.010 351 G CA 0.368 45.480 45.100 0.020 0.000 0.736 351 G HN 0.202 nan 8.290 nan 0.000 0.513 352 M N -0.158 119.455 119.600 0.021 0.000 2.267 352 M HA 0.414 4.891 4.480 -0.004 0.000 0.303 352 M C 0.686 177.003 176.300 0.028 0.000 1.164 352 M CA -0.410 54.895 55.300 0.010 0.000 1.060 352 M CB 0.650 33.249 32.600 -0.001 0.000 1.455 352 M HN 0.155 nan 8.290 nan 0.000 0.483 353 E N 1.309 121.521 120.200 0.020 0.000 2.316 353 E HA 0.227 4.574 4.350 -0.004 0.000 0.275 353 E C -0.936 175.691 176.600 0.045 0.000 1.029 353 E CA -0.172 56.245 56.400 0.028 0.000 0.871 353 E CB 0.627 30.337 29.700 0.017 0.000 1.022 353 E HN 0.423 nan 8.360 nan 0.000 0.418 354 I N 2.909 123.510 120.570 0.051 0.000 2.517 354 I HA -0.039 4.128 4.170 -0.004 0.000 0.285 354 I C 0.633 176.777 176.117 0.045 0.000 1.106 354 I CA 0.044 61.380 61.300 0.060 0.000 1.402 354 I CB 0.487 38.527 38.000 0.066 0.000 1.399 354 I HN 0.412 nan 8.210 nan 0.000 0.535 355 S N 7.672 123.391 115.700 0.032 0.000 2.569 355 S HA 0.059 4.527 4.470 -0.004 0.000 0.274 355 S C -2.107 172.490 174.600 -0.004 0.000 1.353 355 S CA -0.718 57.478 58.200 -0.006 0.000 1.023 355 S CB -0.084 63.078 63.200 -0.063 0.000 0.876 355 S HN 0.431 nan 8.310 nan 0.000 0.540 356 P HA 0.104 nan 4.420 nan 0.000 0.264 356 P C 0.262 177.595 177.300 0.055 0.000 1.193 356 P CA 0.518 63.633 63.100 0.026 0.000 0.763 356 P CB 0.033 31.744 31.700 0.019 0.000 0.810 357 M N -0.038 119.634 119.600 0.119 0.000 2.943 357 M HA -0.230 4.248 4.480 -0.004 0.000 0.198 357 M C -0.111 176.366 176.300 0.296 0.000 0.606 357 M CA 0.610 56.034 55.300 0.207 0.000 0.744 357 M CB -2.602 30.146 32.600 0.247 0.000 2.671 357 M HN 0.340 nan 8.290 nan 0.000 0.342 358 C N 0.357 119.782 119.300 0.208 0.000 2.778 358 C HA 0.264 4.722 4.460 -0.004 0.000 0.294 358 C C 0.754 175.925 174.990 0.301 0.000 1.331 358 C CA -0.336 58.836 59.018 0.257 0.000 1.741 358 C CB -0.592 27.173 27.740 0.042 0.000 2.106 358 C HN 0.404 nan 8.230 nan 0.000 0.603 359 D N 1.523 122.076 120.400 0.256 0.000 2.454 359 D HA 0.122 4.759 4.640 -0.004 0.000 0.225 359 D C 1.154 177.375 176.300 -0.131 0.000 1.081 359 D CA -0.138 53.903 54.000 0.068 0.000 0.864 359 D CB 0.781 41.626 40.800 0.076 0.000 1.040 359 D HN 0.474 nan 8.370 nan 0.000 0.517 360 K N 2.632 122.636 120.400 -0.661 0.000 2.515 360 K HA -0.102 4.215 4.320 -0.004 0.000 0.196 360 K C 0.476 176.662 176.600 -0.690 0.000 1.038 360 K CA 0.890 56.401 56.287 -1.294 0.000 0.967 360 K CB 0.060 31.616 32.500 -1.573 0.000 0.780 360 K HN 0.375 nan 8.250 nan 0.000 0.483 361 H N 0.526 119.470 119.070 -0.211 0.000 2.592 361 H HA 0.193 4.747 4.556 -0.004 0.000 0.265 361 H C 0.053 175.348 175.328 -0.054 0.000 0.955 361 H CA 0.157 56.137 56.048 -0.113 0.000 1.175 361 H CB 0.550 30.265 29.762 -0.078 0.000 1.433 361 H HN 0.257 nan 8.280 nan 0.000 0.537 362 N N 0.776 119.511 118.700 0.058 0.000 2.672 362 N HA 0.331 5.069 4.740 -0.004 0.000 0.295 362 N C -0.711 174.851 175.510 0.086 0.000 1.924 362 N CA 0.023 53.115 53.050 0.070 0.000 0.851 362 N CB 1.638 40.169 38.487 0.074 0.000 1.281 362 N HN 0.085 nan 8.380 nan 0.000 0.494 363 A N 0.038 122.914 122.820 0.094 0.000 2.299 363 A HA 0.808 5.125 4.320 -0.004 0.000 0.332 363 A C 0.038 177.703 177.584 0.134 0.000 1.131 363 A CA -0.448 51.693 52.037 0.173 0.000 0.844 363 A CB 0.952 20.158 19.000 0.342 0.000 1.251 363 A HN 0.089 nan 8.150 nan 0.000 0.486 364 S N 0.747 116.527 115.700 0.133 0.000 2.440 364 S HA 0.204 4.672 4.470 -0.004 0.000 0.142 364 S C 0.809 175.462 174.600 0.088 0.000 1.578 364 S CA -0.461 57.798 58.200 0.098 0.000 1.260 364 S CB 0.717 63.966 63.200 0.081 0.000 1.407 364 S HN 0.523 nan 8.310 nan 0.000 0.392 365 V N 1.764 121.738 119.914 0.100 0.000 2.278 365 V HA -0.261 3.856 4.120 -0.004 0.000 0.251 365 V C 2.257 178.394 176.094 0.070 0.000 1.062 365 V CA 2.124 64.461 62.300 0.061 0.000 1.038 365 V CB -0.478 31.401 31.823 0.095 0.000 0.646 365 V HN 0.552 nan 8.190 nan 0.000 0.447 366 E N 0.043 120.330 120.200 0.146 0.000 2.047 366 E HA -0.155 4.192 4.350 -0.004 0.000 0.191 366 E C 2.258 178.935 176.600 0.128 0.000 0.987 366 E CA 1.097 57.633 56.400 0.227 0.000 0.799 366 E CB -0.293 29.519 29.700 0.186 0.000 0.752 366 E HN 0.545 nan 8.360 nan 0.000 0.449 367 K N 0.290 120.747 120.400 0.094 0.000 2.097 367 K HA -0.048 4.270 4.320 -0.004 0.000 0.206 367 K C 2.335 178.988 176.600 0.088 0.000 1.049 367 K CA 1.315 57.656 56.287 0.089 0.000 0.933 367 K CB -0.134 32.414 32.500 0.079 0.000 0.717 367 K HN -0.031 nan 8.250 nan 0.000 0.442 368 S N 1.011 116.747 115.700 0.060 0.000 2.368 368 S HA -0.114 4.354 4.470 -0.004 0.000 0.224 368 S C 1.904 176.537 174.600 0.056 0.000 1.029 368 S CA 0.959 59.190 58.200 0.052 0.000 0.988 368 S CB -0.079 63.123 63.200 0.003 0.000 0.838 368 S HN 0.251 nan 8.310 nan 0.000 0.462 369 Q N 0.776 120.550 119.800 -0.044 0.000 2.124 369 Q HA -0.031 4.306 4.340 -0.004 0.000 0.202 369 Q C 2.404 178.452 176.000 0.080 0.000 0.977 369 Q CA 0.967 56.723 55.803 -0.079 0.000 0.850 369 Q CB -0.806 27.540 28.738 -0.653 0.000 0.901 369 Q HN 0.413 nan 8.270 nan 0.000 0.429 370 V N 0.267 120.230 119.914 0.082 0.000 2.343 370 V HA -0.203 3.915 4.120 -0.004 0.000 0.247 370 V C 2.305 178.501 176.094 0.170 0.000 1.051 370 V CA 1.965 64.345 62.300 0.135 0.000 1.036 370 V CB -1.158 30.743 31.823 0.131 0.000 0.654 370 V HN 0.441 nan 8.190 nan 0.000 0.451 371 G N -0.840 108.097 108.800 0.227 0.000 2.421 371 G HA2 -0.308 3.649 3.960 -0.004 0.000 0.216 371 G HA3 -0.308 3.649 3.960 -0.004 0.000 0.216 371 G C 1.541 176.699 174.900 0.429 0.000 1.171 371 G CA 0.949 46.275 45.100 0.377 0.000 0.775 371 G HN 0.448 nan 8.290 nan 0.000 0.543 372 F N 1.680 121.716 119.950 0.143 0.000 2.091 372 F HA -0.065 4.459 4.527 -0.004 0.000 0.299 372 F C 2.434 178.302 175.800 0.113 0.000 1.103 372 F CA 1.045 59.107 58.000 0.103 0.000 1.228 372 F CB -0.351 38.665 39.000 0.027 0.000 0.984 372 F HN 0.128 nan 8.300 nan 0.000 0.477 373 I N -0.109 120.483 120.570 0.037 0.000 2.202 373 I HA -0.270 3.897 4.170 -0.004 0.000 0.242 373 I C 2.085 178.190 176.117 -0.021 0.000 1.091 373 I CA 1.473 62.731 61.300 -0.070 0.000 1.368 373 I CB -0.613 37.410 38.000 0.040 0.000 1.058 373 I HN 0.044 nan 8.210 nan 0.000 0.410 374 D N 0.322 120.697 120.400 -0.042 0.000 2.117 374 D HA -0.184 4.454 4.640 -0.004 0.000 0.197 374 D C 1.962 178.069 176.300 -0.321 0.000 0.987 374 D CA 1.791 55.642 54.000 -0.248 0.000 0.829 374 D CB -0.222 40.299 40.800 -0.465 0.000 0.961 374 D HN 0.416 nan 8.370 nan 0.000 0.460 375 Y N -0.483 119.860 120.300 0.073 0.000 2.509 375 Y HA 0.264 4.812 4.550 -0.004 0.000 0.270 375 Y C 2.125 178.084 175.900 0.097 0.000 1.103 375 Y CA 0.123 58.279 58.100 0.094 0.000 1.278 375 Y CB 0.481 39.004 38.460 0.104 0.000 1.087 375 Y HN -0.077 nan 8.280 nan 0.000 0.542 376 I N -2.451 118.194 120.570 0.125 0.000 3.623 376 I HA -0.054 4.114 4.170 -0.004 0.000 0.253 376 I C 1.751 177.804 176.117 -0.105 0.000 1.144 376 I CA 0.239 61.530 61.300 -0.016 0.000 1.461 376 I CB -0.279 37.636 38.000 -0.141 0.000 1.575 376 I HN -0.223 nan 8.210 nan 0.000 0.445 377 V N 1.365 121.082 119.914 -0.329 0.000 2.295 377 V HA -0.297 3.821 4.120 -0.004 0.000 0.246 377 V C 2.493 178.614 176.094 0.046 0.000 1.049 377 V CA 2.195 64.361 62.300 -0.224 0.000 1.024 377 V CB -1.043 30.483 31.823 -0.494 0.000 0.648 377 V HN 0.485 nan 8.190 nan 0.000 0.447 378 H N 0.990 120.043 119.070 -0.028 0.000 2.353 378 H HA -0.083 4.470 4.556 -0.004 0.000 0.300 378 H C -0.068 175.312 175.328 0.088 0.000 1.090 378 H CA 2.063 58.137 56.048 0.043 0.000 1.327 378 H CB -0.925 28.834 29.762 -0.005 0.000 1.383 378 H HN 0.328 nan 8.280 nan 0.000 0.508 379 P HA -0.125 nan 4.420 nan 0.000 0.220 379 P C 1.790 179.150 177.300 0.100 0.000 1.148 379 P CA 0.731 63.921 63.100 0.150 0.000 0.803 379 P CB -0.066 31.738 31.700 0.172 0.000 0.782 380 L N -1.833 119.451 121.223 0.102 0.000 2.034 380 L HA 0.042 4.379 4.340 -0.004 0.000 0.203 380 L C 1.984 178.836 176.870 -0.031 0.000 1.074 380 L CA 1.695 56.562 54.840 0.044 0.000 0.748 380 L CB -1.446 40.614 42.059 0.002 0.000 0.905 380 L HN -0.085 nan 8.230 nan 0.000 0.439 381 W N 0.622 121.891 121.300 -0.051 0.000 2.374 381 W HA -0.141 4.517 4.660 -0.004 0.000 0.288 381 W C 2.639 179.132 176.519 -0.043 0.000 1.218 381 W CA 1.567 58.887 57.345 -0.041 0.000 1.245 381 W CB -0.139 29.242 29.460 -0.131 0.000 1.126 381 W HN 0.354 nan 8.180 nan 0.000 0.545 382 E N -0.299 119.914 120.200 0.021 0.000 2.051 382 E HA -0.204 4.143 4.350 -0.004 0.000 0.192 382 E C 1.832 178.462 176.600 0.049 0.000 0.991 382 E CA 2.087 58.463 56.400 -0.040 0.000 0.799 382 E CB -0.216 29.414 29.700 -0.117 0.000 0.748 382 E HN 0.091 nan 8.360 nan 0.000 0.449 383 T N 0.804 115.391 114.554 0.056 0.000 2.788 383 T HA -0.173 4.175 4.350 -0.004 0.000 0.268 383 T C 1.229 175.958 174.700 0.048 0.000 1.044 383 T CA 1.133 63.261 62.100 0.046 0.000 1.139 383 T CB -0.409 68.486 68.868 0.045 0.000 0.867 383 T HN 0.437 nan 8.240 nan 0.000 0.454 384 W N 2.070 123.311 121.300 -0.098 0.000 2.381 384 W HA -0.034 4.624 4.660 -0.004 0.000 0.301 384 W C 2.472 178.964 176.519 -0.045 0.000 1.205 384 W CA 1.079 58.348 57.345 -0.127 0.000 1.285 384 W CB -0.541 28.731 29.460 -0.314 0.000 1.133 384 W HN 0.293 nan 8.180 nan 0.000 0.521 385 A N 0.384 123.295 122.820 0.151 0.000 2.024 385 A HA -0.279 4.039 4.320 -0.004 0.000 0.220 385 A C 1.616 179.187 177.584 -0.022 0.000 1.164 385 A CA 2.347 54.423 52.037 0.064 0.000 0.643 385 A CB -1.077 17.982 19.000 0.098 0.000 0.806 385 A HN 0.370 nan 8.150 nan 0.000 0.451 386 D N -0.961 119.431 120.400 -0.013 0.000 2.123 386 D HA -0.089 4.549 4.640 -0.004 0.000 0.200 386 D C 1.791 178.036 176.300 -0.091 0.000 0.976 386 D CA 1.004 55.006 54.000 0.002 0.000 0.831 386 D CB -0.122 40.674 40.800 -0.008 0.000 0.974 386 D HN 0.261 nan 8.370 nan 0.000 0.469 387 L N 0.353 121.438 121.223 -0.231 0.000 2.012 387 L HA -0.087 4.251 4.340 -0.004 0.000 0.210 387 L C 1.725 178.386 176.870 -0.348 0.000 1.073 387 L CA 1.552 56.190 54.840 -0.337 0.000 0.748 387 L CB -0.363 41.361 42.059 -0.557 0.000 0.891 387 L HN 0.168 nan 8.230 nan 0.000 0.431 388 V N -2.857 116.797 119.914 -0.434 0.000 3.177 388 V HA 0.202 4.320 4.120 -0.004 0.000 0.342 388 V C 0.904 176.920 176.094 -0.130 0.000 1.379 388 V CA -0.713 61.408 62.300 -0.299 0.000 1.191 388 V CB -1.489 30.111 31.823 -0.371 0.000 1.167 388 V HN 0.393 nan 8.190 nan 0.000 0.471 389 H N 4.142 123.116 119.070 -0.160 0.000 3.115 389 H HA 0.127 4.680 4.556 -0.004 0.000 0.324 389 H C -1.766 173.516 175.328 -0.077 0.000 1.007 389 H CA -0.041 55.950 56.048 -0.095 0.000 1.385 389 H CB 1.856 31.570 29.762 -0.079 0.000 1.351 389 H HN 0.360 nan 8.280 nan 0.000 0.592 390 P HA 0.105 nan 4.420 nan 0.000 0.269 390 P C 0.143 177.265 177.300 -0.296 0.000 1.478 390 P CA -0.141 62.585 63.100 -0.625 0.000 1.045 390 P CB 0.437 31.823 31.700 -0.523 0.000 1.512 391 D N 2.083 122.385 120.400 -0.163 0.000 2.149 391 D HA -0.167 4.470 4.640 -0.004 0.000 0.194 391 D C 1.632 177.874 176.300 -0.098 0.000 1.001 391 D CA 1.805 55.745 54.000 -0.101 0.000 0.849 391 D CB -0.582 40.186 40.800 -0.054 0.000 0.939 391 D HN 0.215 nan 8.370 nan 0.000 0.449 392 A N 0.045 122.822 122.820 -0.073 0.000 2.579 392 A HA 0.142 4.459 4.320 -0.004 0.000 0.273 392 A C 1.593 179.120 177.584 -0.095 0.000 1.363 392 A CA -0.130 51.882 52.037 -0.042 0.000 0.953 392 A CB -0.025 19.095 19.000 0.200 0.000 1.034 392 A HN -0.014 nan 8.150 nan 0.000 0.536 393 Q N 0.713 120.430 119.800 -0.139 0.000 2.016 393 Q HA -0.152 4.185 4.340 -0.004 0.000 0.200 393 Q C 1.283 177.219 176.000 -0.108 0.000 0.978 393 Q CA 2.227 57.954 55.803 -0.126 0.000 0.833 393 Q CB -0.150 28.503 28.738 -0.143 0.000 0.895 393 Q HN 0.641 nan 8.270 nan 0.000 0.427 394 D N -0.353 119.974 120.400 -0.121 0.000 2.144 394 D HA -0.141 4.497 4.640 -0.004 0.000 0.199 394 D C 1.878 178.088 176.300 -0.151 0.000 0.984 394 D CA 1.281 55.216 54.000 -0.109 0.000 0.834 394 D CB 0.012 40.753 40.800 -0.098 0.000 0.955 394 D HN 0.367 nan 8.370 nan 0.000 0.465 395 I N 0.502 120.913 120.570 -0.266 0.000 2.252 395 I HA -0.235 3.932 4.170 -0.004 0.000 0.245 395 I C 2.400 178.345 176.117 -0.287 0.000 1.102 395 I CA 0.408 61.466 61.300 -0.403 0.000 1.385 395 I CB -0.073 37.479 38.000 -0.746 0.000 1.064 395 I HN 0.000 nan 8.210 nan 0.000 0.414 396 L N 0.751 121.866 121.223 -0.180 0.000 2.093 396 L HA -0.196 4.141 4.340 -0.004 0.000 0.208 396 L C 1.963 178.809 176.870 -0.041 0.000 1.085 396 L CA 1.947 56.728 54.840 -0.099 0.000 0.755 396 L CB -0.760 41.276 42.059 -0.039 0.000 0.904 396 L HN 0.178 nan 8.230 nan 0.000 0.435 397 D N -1.235 119.142 120.400 -0.037 0.000 2.117 397 D HA -0.152 4.485 4.640 -0.004 0.000 0.198 397 D C 1.997 178.301 176.300 0.007 0.000 0.982 397 D CA 1.814 55.814 54.000 0.000 0.000 0.828 397 D CB -0.210 40.586 40.800 -0.006 0.000 0.967 397 D HN 0.343 nan 8.370 nan 0.000 0.464 398 T N 1.622 116.162 114.554 -0.023 0.000 2.746 398 T HA -0.144 4.203 4.350 -0.004 0.000 0.267 398 T C 1.951 176.653 174.700 0.005 0.000 1.039 398 T CA 0.530 62.629 62.100 -0.002 0.000 1.142 398 T CB -0.330 68.534 68.868 -0.007 0.000 0.866 398 T HN 0.030 nan 8.240 nan 0.000 0.444 399 L N 1.564 122.757 121.223 -0.049 0.000 1.970 399 L HA -0.099 4.238 4.340 -0.004 0.000 0.212 399 L C 2.315 179.233 176.870 0.080 0.000 1.071 399 L CA 1.891 56.707 54.840 -0.039 0.000 0.751 399 L CB -0.751 41.246 42.059 -0.103 0.000 0.889 399 L HN 0.258 nan 8.230 nan 0.000 0.432 400 E N -0.620 119.645 120.200 0.110 0.000 2.118 400 E HA -0.249 4.099 4.350 -0.004 0.000 0.195 400 E C 1.787 178.460 176.600 0.121 0.000 0.992 400 E CA 1.455 57.930 56.400 0.125 0.000 0.804 400 E CB -0.191 29.580 29.700 0.118 0.000 0.741 400 E HN 0.593 nan 8.360 nan 0.000 0.458 401 D N 0.339 120.807 120.400 0.113 0.000 2.097 401 D HA -0.106 4.532 4.640 -0.004 0.000 0.197 401 D C 1.645 178.072 176.300 0.212 0.000 0.984 401 D CA 0.743 54.824 54.000 0.134 0.000 0.826 401 D CB -0.229 40.631 40.800 0.099 0.000 0.973 401 D HN 0.048 nan 8.370 nan 0.000 0.460 402 N N 0.479 119.317 118.700 0.230 0.000 2.223 402 N HA -0.145 4.592 4.740 -0.004 0.000 0.185 402 N C 1.712 177.533 175.510 0.517 0.000 1.016 402 N CA 0.459 53.742 53.050 0.388 0.000 0.863 402 N CB -0.153 38.591 38.487 0.428 0.000 0.983 402 N HN 0.235 nan 8.380 nan 0.000 0.429 403 R N 1.324 122.037 120.500 0.354 0.000 2.073 403 R HA -0.084 4.253 4.340 -0.004 0.000 0.234 403 R C 1.259 177.730 176.300 0.285 0.000 1.134 403 R CA 1.133 57.424 56.100 0.318 0.000 0.952 403 R CB 0.092 30.496 30.300 0.173 0.000 0.850 403 R HN 0.072 nan 8.270 nan 0.000 0.433 404 E N -0.163 120.169 120.200 0.219 0.000 2.110 404 E HA -0.225 4.122 4.350 -0.004 0.000 0.193 404 E C 1.485 178.183 176.600 0.162 0.000 0.988 404 E CA 1.055 57.547 56.400 0.153 0.000 0.804 404 E CB -0.445 29.327 29.700 0.119 0.000 0.745 404 E HN 0.503 nan 8.360 nan 0.000 0.458 405 W N 0.408 121.756 121.300 0.080 0.000 2.358 405 W HA -0.225 4.433 4.660 -0.004 0.000 0.303 405 W C 1.905 178.402 176.519 -0.037 0.000 1.208 405 W CA 1.364 58.712 57.345 0.005 0.000 1.274 405 W CB -0.486 28.958 29.460 -0.027 0.000 1.138 405 W HN 0.042 nan 8.180 nan 0.000 0.515 406 Y N 0.498 120.933 120.300 0.225 0.000 2.314 406 Y HA -0.237 4.311 4.550 -0.004 0.000 0.293 406 Y C 2.781 178.616 175.900 -0.108 0.000 1.129 406 Y CA 1.966 60.080 58.100 0.025 0.000 1.201 406 Y CB -0.824 37.772 38.460 0.227 0.000 0.999 406 Y HN -0.053 nan 8.280 nan 0.000 0.541 407 Q N 0.113 119.979 119.800 0.110 0.000 2.030 407 Q HA -0.179 4.158 4.340 -0.004 0.000 0.204 407 Q C 2.447 178.406 176.000 -0.068 0.000 0.986 407 Q CA 2.051 57.878 55.803 0.039 0.000 0.843 407 Q CB -0.752 28.016 28.738 0.050 0.000 0.904 407 Q HN 0.528 nan 8.270 nan 0.000 0.420 408 S N -1.274 114.338 115.700 -0.147 0.000 2.595 408 S HA -0.042 4.426 4.470 -0.004 0.000 0.235 408 S C 1.471 175.894 174.600 -0.295 0.000 0.974 408 S CA 1.210 59.290 58.200 -0.199 0.000 0.942 408 S CB -0.146 62.929 63.200 -0.209 0.000 0.766 408 S HN 0.224 nan 8.310 nan 0.000 0.536 409 T N 1.679 116.003 114.554 -0.383 0.000 3.060 409 T HA 0.378 4.726 4.350 -0.004 0.000 0.249 409 T C 0.520 175.107 174.700 -0.190 0.000 1.079 409 T CA -0.290 61.567 62.100 -0.405 0.000 1.013 409 T CB -0.230 68.212 68.868 -0.711 0.000 0.975 409 T HN 0.425 nan 8.240 nan 0.000 0.518 410 I N 4.837 125.343 120.570 -0.106 0.000 2.664 410 I HA 0.096 4.263 4.170 -0.004 0.000 0.284 410 I C -1.800 174.293 176.117 -0.041 0.000 1.154 410 I CA -1.586 59.691 61.300 -0.037 0.000 1.402 410 I CB 0.232 38.231 38.000 -0.001 0.000 1.395 410 I HN -0.020 nan 8.210 nan 0.000 0.545 411 P HA 0.135 nan 4.420 nan 0.000 0.276 411 P C -0.831 176.463 177.300 -0.010 0.000 1.243 411 P CA -0.222 62.863 63.100 -0.024 0.000 0.768 411 P CB 0.866 32.557 31.700 -0.015 0.000 0.856 412 Q N 0.000 119.792 119.800 -0.013 0.000 2.315 412 Q HA 0.000 4.338 4.340 -0.004 0.000 0.214 412 Q CA 0.000 55.800 55.803 -0.005 0.000 1.022 412 Q CB 0.000 28.733 28.738 -0.008 0.000 1.108 412 Q HN 0.000 nan 8.270 nan 0.000 0.481