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 3ej8_1_B DATA FIRST_RESID 83 DATA SEQUENCE RHVRIKNWGS GMTFQDTLHH KAKGILTCRS KSCLGSIMTP KSLTRGPRDK DATA SEQUENCE PTPPDELLPQ AIEFVNQYYG SFKEAKIEEH LARVEAVTKE IETTGTYQLT DATA SEQUENCE GDELIFATKQ AWRNAPRCIG RIQWSNLQVF DARSCSTARE MFEHICRHVR DATA SEQUENCE YSTNNGNIRS AITVFPQRSD GKHDFRVWNA QLIRYAGYQM PDGSIRGDPA DATA SEQUENCE NVEITQLCID LGWKPKYGRF DVLPLVLQAN GRDPELFEIP PDLVLEVAME DATA SEQUENCE HPKYEWFREL ELKWYALPAV ANMLLEVGGL EFPGCPFNGW YMGTEIGVRD DATA SEQUENCE FCDVQRYNIL EEVGRRMGLE THKLASLWKD QAVVEINIAV LHSFQKQNVT DATA SEQUENCE IMDHHSAAES FMKYMQNEYR SRGGCPADWI WLVPPMSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ VEAWKTHVWQ D 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 83 R HA 0.000 nan 4.340 nan 0.000 0.208 83 R C 0.000 176.434 176.300 0.224 0.000 0.893 83 R CA 0.000 56.112 56.100 0.020 0.000 0.921 83 R CB 0.000 30.269 30.300 -0.052 0.000 0.687 84 H N -1.947 117.281 119.070 0.264 0.000 2.883 84 H HA 0.679 5.235 4.556 0.000 0.000 0.266 84 H C -1.937 173.492 175.328 0.169 0.000 1.446 84 H CA -0.464 55.749 56.048 0.276 0.000 1.179 84 H CB 0.671 30.548 29.762 0.192 0.000 1.806 84 H HN 0.681 nan 8.280 nan 0.000 0.467 85 V N 1.444 121.611 119.914 0.422 0.000 2.483 85 V HA 0.491 4.611 4.120 0.000 0.000 0.297 85 V C 0.250 176.386 176.094 0.070 0.000 1.027 85 V CA -0.756 61.659 62.300 0.191 0.000 0.855 85 V CB 1.354 33.124 31.823 -0.088 0.000 0.995 85 V HN 0.828 nan 8.190 nan 0.000 0.424 86 R N 5.449 125.993 120.500 0.073 0.000 2.308 86 R HA 0.701 5.041 4.340 0.000 0.000 0.305 86 R C -0.613 175.663 176.300 -0.041 0.000 1.053 86 R CA -0.293 55.781 56.100 -0.043 0.000 0.957 86 R CB 0.782 31.075 30.300 -0.013 0.000 1.022 86 R HN 0.850 nan 8.270 nan 0.000 0.461 87 I N 0.782 121.299 120.570 -0.089 0.000 2.828 87 I HA 0.600 4.770 4.170 0.000 0.000 0.302 87 I C -1.299 174.688 176.117 -0.216 0.000 1.101 87 I CA -1.190 60.063 61.300 -0.078 0.000 1.031 87 I CB 2.374 40.379 38.000 0.007 0.000 1.231 87 I HN 0.662 nan 8.210 nan 0.000 0.427 88 K N 2.220 122.449 120.400 -0.285 0.000 2.495 88 K HA 0.455 4.776 4.320 0.000 0.000 0.268 88 K C -1.484 174.828 176.600 -0.481 0.000 1.008 88 K CA -0.917 55.068 56.287 -0.504 0.000 0.882 88 K CB 2.040 34.106 32.500 -0.723 0.000 1.443 88 K HN 0.615 nan 8.250 nan 0.000 0.447 89 N N 1.057 119.470 118.700 -0.477 0.000 2.469 89 N HA 0.140 4.880 4.740 0.000 0.000 0.253 89 N C -0.591 174.758 175.510 -0.269 0.000 0.970 89 N CA -0.535 52.375 53.050 -0.233 0.000 0.940 89 N CB 0.446 38.862 38.487 -0.120 0.000 1.128 89 N HN 0.732 nan 8.380 nan 0.000 0.503 90 W N 2.361 123.710 121.300 0.081 0.000 2.611 90 W HA 0.128 4.788 4.660 0.000 0.000 0.251 90 W C 2.059 178.597 176.519 0.032 0.000 1.265 90 W CA 0.164 57.552 57.345 0.071 0.000 1.295 90 W CB 0.237 29.772 29.460 0.126 0.000 1.129 90 W HN 0.646 nan 8.180 nan 0.000 0.630 91 G N -0.539 108.351 108.800 0.150 0.000 2.453 91 G HA2 -0.141 3.819 3.960 0.000 0.000 0.215 91 G HA3 -0.141 3.819 3.960 0.000 0.000 0.215 91 G C 1.474 176.360 174.900 -0.024 0.000 1.147 91 G CA 1.188 46.268 45.100 -0.034 0.000 0.802 91 G HN 0.284 nan 8.290 nan 0.000 0.535 92 S N -2.006 113.674 115.700 -0.033 0.000 2.554 92 S HA 0.409 4.880 4.470 0.000 0.000 0.227 92 S C 1.778 176.323 174.600 -0.091 0.000 1.050 92 S CA 1.042 59.210 58.200 -0.054 0.000 0.927 92 S CB 0.604 63.770 63.200 -0.055 0.000 0.859 92 S HN 1.453 nan 8.310 nan 0.000 0.494 93 G N 1.628 110.342 108.800 -0.144 0.000 2.195 93 G HA2 -0.296 3.664 3.960 0.000 0.000 0.246 93 G HA3 -0.296 3.664 3.960 0.000 0.000 0.246 93 G C 0.017 174.748 174.900 -0.281 0.000 0.984 93 G CA 0.210 45.188 45.100 -0.203 0.000 0.633 93 G HN 0.612 nan 8.290 nan 0.000 0.525 94 M N 2.421 121.842 119.600 -0.298 0.000 2.249 94 M HA 0.482 4.962 4.480 0.000 0.000 0.340 94 M C 0.869 176.806 176.300 -0.605 0.000 1.166 94 M CA 1.254 56.307 55.300 -0.412 0.000 1.115 94 M CB 0.528 32.877 32.600 -0.419 0.000 1.606 94 M HN 0.588 nan 8.290 nan 0.000 0.448 95 T N 1.710 115.879 114.554 -0.642 0.000 2.900 95 T HA 0.687 5.037 4.350 0.000 0.000 0.295 95 T C -0.904 173.374 174.700 -0.702 0.000 1.044 95 T CA -0.786 60.931 62.100 -0.639 0.000 0.995 95 T CB 1.136 69.777 68.868 -0.378 0.000 1.072 95 T HN 0.574 nan 8.240 nan 0.000 0.473 96 F N 0.089 119.824 119.950 -0.359 0.000 2.611 96 F HA 0.589 5.116 4.527 0.000 0.000 0.324 96 F C 0.199 175.763 175.800 -0.393 0.000 1.061 96 F CA -1.337 56.376 58.000 -0.478 0.000 0.954 96 F CB 2.409 40.765 39.000 -1.073 0.000 1.301 96 F HN 0.423 nan 8.300 nan 0.000 0.482 97 Q N 1.488 121.236 119.800 -0.085 0.000 2.309 97 Q HA 0.203 4.543 4.340 0.000 0.000 0.270 97 Q C -1.749 174.291 176.000 0.067 0.000 1.023 97 Q CA -0.710 54.952 55.803 -0.235 0.000 0.758 97 Q CB 2.786 31.219 28.738 -0.509 0.000 1.247 97 Q HN 0.496 nan 8.270 nan 0.000 0.455 98 D N 1.993 122.496 120.400 0.172 0.000 2.274 98 D HA 0.150 4.790 4.640 0.000 0.000 0.239 98 D C 0.355 176.861 176.300 0.345 0.000 1.104 98 D CA -0.001 54.225 54.000 0.377 0.000 0.840 98 D CB 1.438 42.477 40.800 0.400 0.000 1.100 98 D HN 0.678 nan 8.370 nan 0.000 0.477 99 T N 0.884 115.588 114.554 0.250 0.000 3.004 99 T HA -0.006 4.344 4.350 0.000 0.000 0.266 99 T C 1.674 176.348 174.700 -0.044 0.000 0.986 99 T CA -0.266 61.938 62.100 0.173 0.000 0.902 99 T CB 0.094 69.068 68.868 0.177 0.000 1.118 99 T HN 0.245 nan 8.240 nan 0.000 0.522 100 L N 2.844 124.035 121.223 -0.054 0.000 2.217 100 L HA 0.061 4.402 4.340 0.000 0.000 0.211 100 L C 2.540 179.141 176.870 -0.448 0.000 1.107 100 L CA 1.610 56.356 54.840 -0.157 0.000 0.783 100 L CB -0.726 41.297 42.059 -0.060 0.000 0.919 100 L HN 0.550 nan 8.230 nan 0.000 0.442 101 H N -2.569 115.986 119.070 -0.857 0.000 2.518 101 H HA -0.192 4.364 4.556 0.000 0.000 0.292 101 H C 1.557 176.494 175.328 -0.652 0.000 1.068 101 H CA 1.848 57.057 56.048 -1.397 0.000 1.275 101 H CB -0.930 28.142 29.762 -1.150 0.000 1.375 101 H HN 0.561 nan 8.280 nan 0.000 0.563 102 H N 0.750 119.319 119.070 -0.836 0.000 2.462 102 H HA 0.043 4.599 4.556 0.000 0.000 0.292 102 H C 1.661 176.823 175.328 -0.276 0.000 1.049 102 H CA 0.754 56.488 56.048 -0.523 0.000 1.334 102 H CB 0.449 29.939 29.762 -0.455 0.000 1.404 102 H HN 0.131 nan 8.280 nan 0.000 0.544 103 K N 0.764 121.085 120.400 -0.132 0.000 2.487 103 K HA 0.186 4.507 4.320 0.000 0.000 0.192 103 K C 0.704 177.271 176.600 -0.054 0.000 1.027 103 K CA 0.115 56.362 56.287 -0.067 0.000 1.054 103 K CB 0.187 32.659 32.500 -0.047 0.000 0.824 103 K HN 0.180 nan 8.250 nan 0.000 0.510 104 A N 1.706 124.472 122.820 -0.090 0.000 2.386 104 A HA 0.131 4.451 4.320 0.000 0.000 0.246 104 A C -0.059 177.513 177.584 -0.020 0.000 1.089 104 A CA -0.101 51.919 52.037 -0.028 0.000 0.790 104 A CB 0.274 19.273 19.000 -0.002 0.000 1.042 104 A HN 0.111 nan 8.150 nan 0.000 0.497 105 K N 0.553 120.938 120.400 -0.026 0.000 2.258 105 K HA 0.317 4.638 4.320 0.000 0.000 0.284 105 K C 0.710 177.304 176.600 -0.010 0.000 1.051 105 K CA 0.296 56.568 56.287 -0.025 0.000 0.923 105 K CB 1.068 33.540 32.500 -0.047 0.000 1.046 105 K HN 0.738 nan 8.250 nan 0.000 0.474 106 G N 3.734 112.536 108.800 0.003 0.000 3.263 106 G HA2 0.053 4.013 3.960 0.000 0.000 0.246 106 G HA3 0.053 4.013 3.960 0.000 0.000 0.246 106 G C 0.802 175.711 174.900 0.016 0.000 0.982 106 G CA -0.092 45.016 45.100 0.013 0.000 1.897 106 G HN 0.759 nan 8.290 nan 0.000 0.624 107 I N -2.715 117.863 120.570 0.013 0.000 3.968 107 I HA 0.380 4.550 4.170 0.000 0.000 0.328 107 I C 0.671 176.807 176.117 0.032 0.000 1.290 107 I CA -0.459 60.855 61.300 0.024 0.000 1.163 107 I CB 0.057 38.076 38.000 0.032 0.000 1.024 107 I HN -0.068 nan 8.210 nan 0.000 0.413 108 L N 2.040 123.280 121.223 0.029 0.000 2.473 108 L HA 0.112 4.452 4.340 0.000 0.000 0.268 108 L C 1.662 178.556 176.870 0.040 0.000 1.215 108 L CA 0.322 55.185 54.840 0.038 0.000 0.823 108 L CB 0.707 42.792 42.059 0.044 0.000 1.099 108 L HN 0.318 nan 8.230 nan 0.000 0.483 109 T N -3.628 110.952 114.554 0.044 0.000 3.069 109 T HA 0.104 4.454 4.350 0.000 0.000 0.252 109 T C 0.563 175.285 174.700 0.037 0.000 1.053 109 T CA -0.386 61.738 62.100 0.040 0.000 0.964 109 T CB -0.285 68.609 68.868 0.043 0.000 1.005 109 T HN 0.446 nan 8.240 nan 0.000 0.532 110 C N 2.854 122.177 119.300 0.040 0.000 2.653 110 C HA 0.718 5.178 4.460 0.000 0.000 0.421 110 C C 0.742 175.752 174.990 0.032 0.000 1.334 110 C CA -0.420 58.620 59.018 0.036 0.000 1.885 110 C CB -0.505 27.259 27.740 0.040 0.000 2.645 110 C HN 0.485 nan 8.230 nan 0.000 0.601 111 R N 0.874 121.390 120.500 0.028 0.000 2.922 111 R HA 0.396 4.736 4.340 0.000 0.000 0.256 111 R C 1.192 177.505 176.300 0.022 0.000 1.138 111 R CA -0.315 55.799 56.100 0.025 0.000 0.995 111 R CB 0.561 30.874 30.300 0.022 0.000 1.226 111 R HN 0.677 nan 8.270 nan 0.000 0.481 112 S N -0.285 115.427 115.700 0.020 0.000 2.447 112 S HA -0.070 4.400 4.470 0.000 0.000 0.233 112 S C 0.933 175.542 174.600 0.014 0.000 1.006 112 S CA 0.982 59.192 58.200 0.017 0.000 0.957 112 S CB -0.048 63.162 63.200 0.017 0.000 0.773 112 S HN 0.448 nan 8.310 nan 0.000 0.507 113 K N 1.223 121.632 120.400 0.015 0.000 2.393 113 K HA 0.179 4.499 4.320 0.000 0.000 0.193 113 K C 0.019 176.626 176.600 0.013 0.000 1.026 113 K CA 0.493 56.788 56.287 0.013 0.000 1.064 113 K CB 0.415 32.923 32.500 0.013 0.000 0.833 113 K HN 0.550 nan 8.250 nan 0.000 0.521 114 S N -1.063 114.646 115.700 0.015 0.000 2.579 114 S HA 0.145 4.615 4.470 0.000 0.000 0.290 114 S C -1.188 173.424 174.600 0.020 0.000 1.123 114 S CA -1.280 56.930 58.200 0.016 0.000 0.894 114 S CB 0.814 64.024 63.200 0.017 0.000 1.095 114 S HN 0.129 nan 8.310 nan 0.000 0.450 115 C N 3.957 123.268 119.300 0.019 0.000 2.319 115 C HA 0.775 5.235 4.460 0.000 0.000 0.335 115 C C 0.283 175.292 174.990 0.032 0.000 1.274 115 C CA -0.575 58.458 59.018 0.024 0.000 1.806 115 C CB -0.752 26.998 27.740 0.017 0.000 2.329 115 C HN 0.863 nan 8.230 nan 0.000 0.524 116 L N 5.871 127.118 121.223 0.041 0.000 3.066 116 L HA 0.344 4.684 4.340 0.000 0.000 0.265 116 L C 2.107 179.016 176.870 0.065 0.000 1.232 116 L CA 0.653 55.523 54.840 0.050 0.000 1.031 116 L CB -0.190 41.898 42.059 0.049 0.000 1.379 116 L HN 1.002 nan 8.230 nan 0.000 0.563 117 G N -0.167 108.672 108.800 0.065 0.000 2.499 117 G HA2 -0.283 3.677 3.960 0.000 0.000 0.221 117 G HA3 -0.283 3.677 3.960 0.000 0.000 0.221 117 G C 1.527 176.497 174.900 0.117 0.000 1.109 117 G CA 1.236 46.386 45.100 0.084 0.000 0.749 117 G HN 0.520 nan 8.290 nan 0.000 0.568 118 S N -0.632 115.134 115.700 0.111 0.000 2.575 118 S HA 0.296 4.766 4.470 0.000 0.000 0.215 118 S C 0.633 175.320 174.600 0.145 0.000 0.966 118 S CA -0.576 57.709 58.200 0.142 0.000 0.911 118 S CB 0.045 63.314 63.200 0.114 0.000 0.780 118 S HN -0.004 nan 8.310 nan 0.000 0.514 119 I N 2.716 123.358 120.570 0.120 0.000 2.517 119 I HA 0.153 4.323 4.170 0.000 0.000 0.285 119 I C 1.420 177.629 176.117 0.153 0.000 1.106 119 I CA 0.001 61.369 61.300 0.113 0.000 1.402 119 I CB 0.447 38.497 38.000 0.085 0.000 1.399 119 I HN 0.310 nan 8.210 nan 0.000 0.535 120 M N 4.521 124.224 119.600 0.172 0.000 2.065 120 M HA -0.141 4.339 4.480 0.000 0.000 0.259 120 M C 0.632 177.030 176.300 0.164 0.000 1.071 120 M CA 1.857 57.306 55.300 0.249 0.000 1.109 120 M CB 0.059 32.789 32.600 0.218 0.000 1.313 120 M HN 0.692 nan 8.290 nan 0.000 0.408 121 T N -0.100 114.473 114.554 0.031 0.000 3.390 121 T HA 0.488 4.838 4.350 0.000 0.000 0.351 121 T C -2.353 172.341 174.700 -0.010 0.000 1.759 121 T CA -1.497 60.522 62.100 -0.135 0.000 1.561 121 T CB 0.070 68.734 68.868 -0.341 0.000 1.011 121 T HN 0.294 nan 8.240 nan 0.000 0.689 122 P HA 0.298 nan 4.420 nan 0.000 0.274 122 P C 0.593 177.968 177.300 0.125 0.000 1.237 122 P CA -0.550 62.610 63.100 0.100 0.000 0.793 122 P CB 1.491 33.259 31.700 0.112 0.000 0.977 123 K N 0.491 120.948 120.400 0.094 0.000 2.211 123 K HA -0.062 4.258 4.320 0.000 0.000 0.203 123 K C 2.085 178.762 176.600 0.129 0.000 1.050 123 K CA 1.611 57.956 56.287 0.097 0.000 0.945 123 K CB -0.352 32.185 32.500 0.060 0.000 0.732 123 K HN 0.571 nan 8.250 nan 0.000 0.451 124 S N 1.384 117.156 115.700 0.121 0.000 2.383 124 S HA -0.114 4.357 4.470 0.000 0.000 0.229 124 S C 1.772 176.482 174.600 0.185 0.000 1.030 124 S CA 0.953 59.227 58.200 0.122 0.000 1.002 124 S CB -0.387 62.864 63.200 0.085 0.000 0.829 124 S HN 0.232 nan 8.310 nan 0.000 0.467 125 L N 1.374 122.731 121.223 0.224 0.000 2.653 125 L HA 0.281 4.621 4.340 0.000 0.000 0.231 125 L C -0.083 177.047 176.870 0.434 0.000 1.153 125 L CA -0.039 54.963 54.840 0.269 0.000 0.933 125 L CB -0.131 42.059 42.059 0.217 0.000 1.175 125 L HN 0.222 nan 8.230 nan 0.000 0.473 126 T N -0.369 114.428 114.554 0.405 0.000 2.856 126 T HA 0.440 4.790 4.350 0.000 0.000 0.283 126 T C -0.401 174.426 174.700 0.213 0.000 1.008 126 T CA -0.481 61.830 62.100 0.351 0.000 0.997 126 T CB 2.351 71.355 68.868 0.228 0.000 0.992 126 T HN -0.087 nan 8.240 nan 0.000 0.454 127 R N 1.809 122.382 120.500 0.122 0.000 2.363 127 R HA 0.554 4.895 4.340 0.000 0.000 0.297 127 R C 0.598 176.882 176.300 -0.026 0.000 1.208 127 R CA -0.396 55.658 56.100 -0.076 0.000 1.121 127 R CB 0.033 30.151 30.300 -0.303 0.000 1.124 127 R HN 0.843 nan 8.270 nan 0.000 0.561 128 G N 3.093 111.879 108.800 -0.024 0.000 2.479 128 G HA2 0.232 4.192 3.960 0.000 0.000 0.275 128 G HA3 0.232 4.192 3.960 0.000 0.000 0.275 128 G C -1.958 172.917 174.900 -0.042 0.000 1.421 128 G CA -0.646 44.434 45.100 -0.033 0.000 1.059 128 G HN 0.531 nan 8.290 nan 0.000 0.535 129 P HA 0.408 nan 4.420 nan 0.000 0.281 129 P C -0.990 176.290 177.300 -0.033 0.000 1.281 129 P CA -0.362 62.713 63.100 -0.041 0.000 0.811 129 P CB 1.397 33.065 31.700 -0.053 0.000 1.154 130 R N -0.165 120.320 120.500 -0.024 0.000 2.664 130 R HA 0.263 4.603 4.340 0.000 0.000 0.266 130 R C -1.119 175.176 176.300 -0.009 0.000 1.046 130 R CA -0.572 55.518 56.100 -0.018 0.000 0.885 130 R CB 0.090 30.380 30.300 -0.017 0.000 1.254 130 R HN 0.363 nan 8.270 nan 0.000 0.465 131 D N 0.078 120.475 120.400 -0.005 0.000 2.395 131 D HA 0.233 4.873 4.640 0.000 0.000 0.213 131 D C -0.519 175.789 176.300 0.013 0.000 1.110 131 D CA -0.072 53.930 54.000 0.003 0.000 0.835 131 D CB 0.520 41.318 40.800 -0.004 0.000 0.965 131 D HN 0.448 nan 8.370 nan 0.000 0.505 132 K N 0.013 120.419 120.400 0.009 0.000 2.443 132 K HA 0.520 4.840 4.320 0.000 0.000 0.251 132 K C -2.885 173.720 176.600 0.008 0.000 0.972 132 K CA -2.170 54.124 56.287 0.012 0.000 0.833 132 K CB 2.234 34.738 32.500 0.007 0.000 1.317 132 K HN -0.176 nan 8.250 nan 0.000 0.441 133 P HA 0.069 nan 4.420 nan 0.000 0.274 133 P C -0.857 176.444 177.300 0.002 0.000 1.246 133 P CA -0.339 62.763 63.100 0.003 0.000 0.795 133 P CB 0.423 32.124 31.700 0.002 0.000 1.006 134 T N 3.348 117.902 114.554 -0.000 0.000 2.853 134 T HA 0.168 4.518 4.350 0.000 0.000 0.298 134 T C -2.103 172.606 174.700 0.015 0.000 0.978 134 T CA -0.637 61.466 62.100 0.005 0.000 1.152 134 T CB -0.635 68.239 68.868 0.010 0.000 0.914 134 T HN 0.291 nan 8.240 nan 0.000 0.539 135 P HA 0.125 nan 4.420 nan 0.000 0.265 135 P C -1.891 175.423 177.300 0.023 0.000 1.193 135 P CA -1.238 61.871 63.100 0.015 0.000 0.765 135 P CB 0.252 31.959 31.700 0.011 0.000 0.823 136 P HA -0.177 nan 4.420 nan 0.000 0.218 136 P C 1.091 178.404 177.300 0.022 0.000 1.149 136 P CA 1.275 64.392 63.100 0.029 0.000 0.817 136 P CB -0.163 31.552 31.700 0.025 0.000 0.785 137 D N 0.081 120.491 120.400 0.016 0.000 2.218 137 D HA -0.194 4.446 4.640 0.000 0.000 0.204 137 D C 1.250 177.558 176.300 0.014 0.000 0.976 137 D CA 1.238 55.246 54.000 0.012 0.000 0.853 137 D CB -0.385 40.421 40.800 0.009 0.000 0.939 137 D HN 0.281 nan 8.370 nan 0.000 0.481 138 E N -0.546 119.665 120.200 0.018 0.000 2.364 138 E HA 0.055 4.405 4.350 0.000 0.000 0.196 138 E C 1.938 178.557 176.600 0.031 0.000 0.990 138 E CA -0.246 56.166 56.400 0.020 0.000 0.886 138 E CB 0.256 29.965 29.700 0.016 0.000 0.866 138 E HN 0.107 nan 8.360 nan 0.000 0.493 139 L N 1.053 122.300 121.223 0.040 0.000 2.049 139 L HA -0.034 4.306 4.340 0.000 0.000 0.203 139 L C 2.109 179.009 176.870 0.050 0.000 1.074 139 L CA 1.137 56.017 54.840 0.066 0.000 0.749 139 L CB -0.463 41.651 42.059 0.091 0.000 0.907 139 L HN 0.121 nan 8.230 nan 0.000 0.439 140 L N 0.344 121.578 121.223 0.019 0.000 2.010 140 L HA -0.212 4.128 4.340 0.000 0.000 0.219 140 L C -0.552 176.313 176.870 -0.009 0.000 1.077 140 L CA 2.446 57.275 54.840 -0.017 0.000 0.773 140 L CB -1.776 40.276 42.059 -0.013 0.000 0.892 140 L HN 0.199 nan 8.230 nan 0.000 0.436 141 P HA -0.230 nan 4.420 nan 0.000 0.213 141 P C 1.480 178.807 177.300 0.045 0.000 1.170 141 P CA 1.866 64.980 63.100 0.023 0.000 0.902 141 P CB -0.161 31.554 31.700 0.024 0.000 0.789 142 Q N -0.790 119.048 119.800 0.062 0.000 2.135 142 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 142 Q C 2.244 178.331 176.000 0.145 0.000 0.981 142 Q CA 1.661 57.526 55.803 0.104 0.000 0.856 142 Q CB -0.812 27.989 28.738 0.105 0.000 0.902 142 Q HN 0.192 nan 8.270 nan 0.000 0.425 143 A N 1.447 124.312 122.820 0.076 0.000 1.865 143 A HA -0.196 4.124 4.320 0.000 0.000 0.217 143 A C 2.061 179.665 177.584 0.032 0.000 1.191 143 A CA 1.351 53.369 52.037 -0.032 0.000 0.623 143 A CB -0.554 18.158 19.000 -0.480 0.000 0.826 143 A HN 0.244 nan 8.150 nan 0.000 0.444 144 I N 0.092 120.664 120.570 0.002 0.000 2.163 144 I HA -0.245 3.925 4.170 0.000 0.000 0.243 144 I C 2.432 178.602 176.117 0.088 0.000 1.085 144 I CA 1.932 63.254 61.300 0.037 0.000 1.347 144 I CB -1.640 36.375 38.000 0.025 0.000 1.044 144 I HN 0.607 nan 8.210 nan 0.000 0.408 145 E N 0.530 120.794 120.200 0.105 0.000 2.130 145 E HA -0.288 4.062 4.350 0.000 0.000 0.196 145 E C 2.279 178.978 176.600 0.165 0.000 0.998 145 E CA 1.362 57.834 56.400 0.120 0.000 0.806 145 E CB -0.219 29.551 29.700 0.116 0.000 0.738 145 E HN 0.385 nan 8.360 nan 0.000 0.459 146 F N 0.483 120.490 119.950 0.095 0.000 2.163 146 F HA -0.100 4.427 4.527 0.000 0.000 0.297 146 F C 1.943 177.816 175.800 0.123 0.000 1.094 146 F CA 0.965 59.046 58.000 0.135 0.000 1.290 146 F CB -0.442 38.660 39.000 0.169 0.000 1.017 146 F HN -0.127 nan 8.300 nan 0.000 0.483 147 V N 1.251 121.089 119.914 -0.127 0.000 2.343 147 V HA -0.351 3.769 4.120 0.000 0.000 0.247 147 V C 2.063 178.049 176.094 -0.179 0.000 1.051 147 V CA 2.392 64.591 62.300 -0.169 0.000 1.036 147 V CB -1.079 30.769 31.823 0.041 0.000 0.654 147 V HN 0.409 nan 8.190 nan 0.000 0.451 148 N N -0.291 118.370 118.700 -0.065 0.000 2.025 148 N HA -0.280 4.460 4.740 0.000 0.000 0.194 148 N C 2.019 177.470 175.510 -0.099 0.000 1.044 148 N CA 1.501 54.555 53.050 0.007 0.000 0.851 148 N CB -0.228 38.335 38.487 0.126 0.000 1.036 148 N HN 0.518 nan 8.380 nan 0.000 0.422 149 Q N 0.367 120.105 119.800 -0.104 0.000 2.112 149 Q HA -0.257 4.083 4.340 0.000 0.000 0.206 149 Q C 1.978 177.751 176.000 -0.379 0.000 0.987 149 Q CA 1.609 57.345 55.803 -0.112 0.000 0.858 149 Q CB -0.177 28.596 28.738 0.059 0.000 0.905 149 Q HN 0.552 nan 8.270 nan 0.000 0.420 150 Y N -0.558 119.209 120.300 -0.888 0.000 2.200 150 Y HA -0.272 4.278 4.550 0.000 0.000 0.290 150 Y C 1.593 176.777 175.900 -1.194 0.000 1.137 150 Y CA 1.773 58.907 58.100 -1.609 0.000 1.163 150 Y CB -0.335 37.143 38.460 -1.637 0.000 0.988 150 Y HN 0.140 nan 8.280 nan 0.000 0.518 151 Y N 0.018 119.900 120.300 -0.697 0.000 2.373 151 Y HA 0.048 4.598 4.550 0.000 0.000 0.293 151 Y C 2.512 178.279 175.900 -0.222 0.000 1.129 151 Y CA 1.225 59.103 58.100 -0.370 0.000 1.226 151 Y CB -0.703 37.464 38.460 -0.490 0.000 1.000 151 Y HN 0.214 nan 8.280 nan 0.000 0.549 152 G N -1.381 107.325 108.800 -0.156 0.000 3.061 152 G HA2 -0.078 3.882 3.960 0.000 0.000 0.208 152 G HA3 -0.078 3.882 3.960 0.000 0.000 0.208 152 G C 1.158 175.945 174.900 -0.189 0.000 1.175 152 G CA 0.783 45.839 45.100 -0.073 0.000 0.812 152 G HN 0.408 nan 8.290 nan 0.000 0.523 153 S N -0.715 114.700 115.700 -0.475 0.000 2.554 153 S HA 0.410 4.880 4.470 0.000 0.000 0.226 153 S C 0.098 174.385 174.600 -0.521 0.000 0.980 153 S CA -0.754 57.154 58.200 -0.486 0.000 0.939 153 S CB -0.097 62.738 63.200 -0.608 0.000 0.832 153 S HN 0.004 nan 8.310 nan 0.000 0.486 154 F N 3.728 123.544 119.950 -0.224 0.000 2.384 154 F HA 0.420 4.947 4.527 0.000 0.000 0.338 154 F C 1.786 177.537 175.800 -0.082 0.000 1.103 154 F CA -1.451 56.451 58.000 -0.164 0.000 1.157 154 F CB 1.008 39.907 39.000 -0.169 0.000 1.167 154 F HN 0.004 nan 8.300 nan 0.000 0.529 155 K N 1.258 121.747 120.400 0.149 0.000 2.034 155 K HA -0.189 4.131 4.320 0.000 0.000 0.214 155 K C -0.399 176.243 176.600 0.070 0.000 1.051 155 K CA 1.654 57.987 56.287 0.077 0.000 0.931 155 K CB -0.265 32.273 32.500 0.064 0.000 0.715 155 K HN 0.652 nan 8.250 nan 0.000 0.446 156 E N 0.616 120.864 120.200 0.080 0.000 2.224 156 E HA 0.466 4.816 4.350 0.000 0.000 0.265 156 E C -1.251 175.377 176.600 0.047 0.000 0.878 156 E CA -0.726 55.701 56.400 0.044 0.000 0.759 156 E CB 2.026 31.733 29.700 0.011 0.000 1.164 156 E HN 0.412 nan 8.360 nan 0.000 0.414 157 A N 3.244 126.095 122.820 0.052 0.000 2.586 157 A HA -0.028 4.292 4.320 0.000 0.000 0.231 157 A C 0.121 177.701 177.584 -0.007 0.000 1.055 157 A CA 0.521 52.594 52.037 0.061 0.000 0.756 157 A CB 0.182 19.211 19.000 0.049 0.000 0.988 157 A HN 0.616 nan 8.150 nan 0.000 0.509 158 K N 2.930 123.324 120.400 -0.010 0.000 3.122 158 K HA 0.162 4.482 4.320 0.000 0.000 0.193 158 K C 1.277 177.827 176.600 -0.083 0.000 1.141 158 K CA -0.463 55.776 56.287 -0.079 0.000 0.975 158 K CB 0.192 32.604 32.500 -0.146 0.000 1.173 158 K HN 0.723 nan 8.250 nan 0.000 0.546 159 I N -1.013 119.513 120.570 -0.072 0.000 2.203 159 I HA -0.451 3.719 4.170 0.000 0.000 0.237 159 I C 1.848 177.879 176.117 -0.143 0.000 0.993 159 I CA 2.005 63.238 61.300 -0.112 0.000 1.277 159 I CB -1.050 36.894 38.000 -0.093 0.000 0.984 159 I HN 0.523 nan 8.210 nan 0.000 0.402 160 E N 0.932 121.065 120.200 -0.112 0.000 2.017 160 E HA -0.259 4.091 4.350 0.000 0.000 0.193 160 E C 2.108 178.632 176.600 -0.126 0.000 0.997 160 E CA 1.915 58.253 56.400 -0.104 0.000 0.804 160 E CB 0.014 29.670 29.700 -0.073 0.000 0.757 160 E HN 0.618 nan 8.360 nan 0.000 0.448 161 E N -0.095 120.026 120.200 -0.132 0.000 2.070 161 E HA -0.244 4.106 4.350 0.000 0.000 0.197 161 E C 1.999 178.363 176.600 -0.393 0.000 1.004 161 E CA 1.580 57.894 56.400 -0.145 0.000 0.805 161 E CB -0.430 29.245 29.700 -0.040 0.000 0.744 161 E HN 0.350 nan 8.360 nan 0.000 0.451 162 H N 0.341 118.891 119.070 -0.866 0.000 2.265 162 H HA -0.125 4.431 4.556 0.000 0.000 0.295 162 H C 1.940 176.926 175.328 -0.569 0.000 1.084 162 H CA 1.581 56.840 56.048 -1.315 0.000 1.261 162 H CB -0.524 28.747 29.762 -0.818 0.000 1.360 162 H HN 0.103 nan 8.280 nan 0.000 0.487 163 L N 0.698 121.800 121.223 -0.202 0.000 2.046 163 L HA -0.093 4.247 4.340 0.000 0.000 0.208 163 L C 3.007 179.828 176.870 -0.082 0.000 1.077 163 L CA 1.827 56.572 54.840 -0.159 0.000 0.747 163 L CB -1.212 40.736 42.059 -0.185 0.000 0.896 163 L HN 0.416 nan 8.230 nan 0.000 0.432 164 A N -0.856 121.913 122.820 -0.084 0.000 1.933 164 A HA -0.232 4.089 4.320 0.000 0.000 0.218 164 A C 2.415 179.993 177.584 -0.010 0.000 1.175 164 A CA 1.595 53.606 52.037 -0.042 0.000 0.628 164 A CB -0.470 18.509 19.000 -0.036 0.000 0.814 164 A HN 0.305 nan 8.150 nan 0.000 0.444 165 R N 0.150 120.646 120.500 -0.007 0.000 2.096 165 R HA -0.078 4.262 4.340 0.000 0.000 0.235 165 R C 1.713 178.050 176.300 0.062 0.000 1.127 165 R CA 2.046 58.186 56.100 0.067 0.000 0.968 165 R CB -1.221 29.179 30.300 0.165 0.000 0.861 165 R HN 0.287 nan 8.270 nan 0.000 0.440 166 V N 1.199 121.141 119.914 0.047 0.000 2.427 166 V HA -0.160 3.960 4.120 0.000 0.000 0.248 166 V C 2.155 178.250 176.094 0.001 0.000 1.051 166 V CA 1.918 64.238 62.300 0.033 0.000 1.048 166 V CB -0.444 31.406 31.823 0.045 0.000 0.666 166 V HN 0.302 nan 8.190 nan 0.000 0.456 167 E N 0.692 120.891 120.200 -0.003 0.000 2.051 167 E HA -0.184 4.166 4.350 0.000 0.000 0.192 167 E C 2.416 179.017 176.600 0.001 0.000 0.991 167 E CA 1.546 57.942 56.400 -0.007 0.000 0.799 167 E CB -0.667 29.026 29.700 -0.011 0.000 0.748 167 E HN 0.549 nan 8.360 nan 0.000 0.449 168 A N 1.361 124.189 122.820 0.014 0.000 1.873 168 A HA -0.184 4.136 4.320 0.000 0.000 0.218 168 A C 2.673 180.273 177.584 0.027 0.000 1.193 168 A CA 2.011 54.065 52.037 0.028 0.000 0.629 168 A CB -0.920 18.108 19.000 0.047 0.000 0.826 168 A HN 0.142 nan 8.150 nan 0.000 0.447 169 V N -0.030 119.889 119.914 0.009 0.000 2.332 169 V HA -0.251 3.869 4.120 0.000 0.000 0.248 169 V C 2.725 178.779 176.094 -0.066 0.000 1.055 169 V CA 2.482 64.751 62.300 -0.051 0.000 1.038 169 V CB -1.508 30.202 31.823 -0.187 0.000 0.651 169 V HN 0.647 nan 8.190 nan 0.000 0.450 170 T N -0.181 114.344 114.554 -0.049 0.000 2.674 170 T HA -0.174 4.176 4.350 0.000 0.000 0.265 170 T C 1.982 176.677 174.700 -0.009 0.000 1.039 170 T CA 1.253 63.332 62.100 -0.035 0.000 1.150 170 T CB -0.245 68.608 68.868 -0.025 0.000 0.864 170 T HN 0.348 nan 8.240 nan 0.000 0.427 171 K N 1.195 121.596 120.400 0.001 0.000 2.057 171 K HA -0.080 4.240 4.320 0.000 0.000 0.207 171 K C 2.298 178.912 176.600 0.023 0.000 1.049 171 K CA 1.264 57.557 56.287 0.011 0.000 0.931 171 K CB -0.469 32.039 32.500 0.012 0.000 0.714 171 K HN 0.535 nan 8.250 nan 0.000 0.440 172 E N 0.903 121.124 120.200 0.036 0.000 2.051 172 E HA -0.134 4.216 4.350 0.000 0.000 0.192 172 E C 2.048 178.690 176.600 0.070 0.000 0.991 172 E CA 0.998 57.436 56.400 0.062 0.000 0.799 172 E CB -0.028 29.733 29.700 0.101 0.000 0.748 172 E HN 0.218 nan 8.360 nan 0.000 0.449 173 I N 0.594 121.201 120.570 0.062 0.000 2.493 173 I HA -0.183 3.987 4.170 0.000 0.000 0.254 173 I C 2.425 178.566 176.117 0.040 0.000 1.160 173 I CA 0.979 62.319 61.300 0.067 0.000 1.445 173 I CB -0.208 37.812 38.000 0.033 0.000 1.086 173 I HN 0.245 nan 8.210 nan 0.000 0.433 174 E N 0.549 120.763 120.200 0.025 0.000 2.208 174 E HA -0.171 4.179 4.350 0.000 0.000 0.193 174 E C 1.978 178.589 176.600 0.019 0.000 0.988 174 E CA 1.673 58.083 56.400 0.017 0.000 0.828 174 E CB 0.223 29.929 29.700 0.009 0.000 0.763 174 E HN 0.530 nan 8.360 nan 0.000 0.478 175 T N -3.355 111.213 114.554 0.023 0.000 3.023 175 T HA 0.010 4.360 4.350 0.000 0.000 0.249 175 T C 1.775 176.488 174.700 0.021 0.000 1.050 175 T CA 0.788 62.900 62.100 0.020 0.000 1.088 175 T CB 0.227 69.106 68.868 0.019 0.000 0.946 175 T HN 0.118 nan 8.240 nan 0.000 0.480 176 T N -2.402 112.169 114.554 0.030 0.000 2.985 176 T HA 0.514 4.864 4.350 0.000 0.000 0.254 176 T C 1.825 176.542 174.700 0.028 0.000 1.021 176 T CA 0.460 62.576 62.100 0.026 0.000 0.957 176 T CB 0.031 68.916 68.868 0.029 0.000 1.047 176 T HN 0.855 nan 8.240 nan 0.000 0.511 177 G N 0.574 109.397 108.800 0.038 0.000 2.148 177 G HA2 -0.150 3.810 3.960 0.000 0.000 0.254 177 G HA3 -0.150 3.810 3.960 0.000 0.000 0.254 177 G C 0.145 175.083 174.900 0.062 0.000 0.981 177 G CA 0.585 45.710 45.100 0.041 0.000 0.670 177 G HN 1.083 nan 8.290 nan 0.000 0.528 178 T N -1.528 113.081 114.554 0.093 0.000 2.677 178 T HA 0.648 4.998 4.350 0.000 0.000 0.305 178 T C -1.515 173.327 174.700 0.236 0.000 1.569 178 T CA 0.348 62.535 62.100 0.146 0.000 0.984 178 T CB 1.235 70.124 68.868 0.035 0.000 1.629 178 T HN 1.657 nan 8.240 nan 0.000 0.494 179 Y N -0.062 120.245 120.300 0.012 0.000 2.615 179 Y HA 0.886 5.436 4.550 0.000 0.000 0.341 179 Y C -1.068 174.850 175.900 0.031 0.000 1.089 179 Y CA -1.228 56.889 58.100 0.028 0.000 1.049 179 Y CB 1.144 39.635 38.460 0.051 0.000 1.296 179 Y HN 0.592 nan 8.280 nan 0.000 0.470 180 Q N 1.520 121.341 119.800 0.034 0.000 2.309 180 Q HA 0.617 4.957 4.340 0.000 0.000 0.264 180 Q C -1.038 174.982 176.000 0.034 0.000 1.008 180 Q CA -0.573 55.197 55.803 -0.054 0.000 0.853 180 Q CB 2.013 30.754 28.738 0.005 0.000 1.314 180 Q HN 0.811 nan 8.270 nan 0.000 0.448 181 L N 0.774 121.992 121.223 -0.007 0.000 2.468 181 L HA 0.544 4.884 4.340 0.000 0.000 0.254 181 L C 0.744 177.645 176.870 0.051 0.000 1.171 181 L CA -0.661 54.222 54.840 0.073 0.000 0.809 181 L CB 0.803 42.881 42.059 0.031 0.000 1.155 181 L HN 0.731 nan 8.230 nan 0.000 0.473 182 T N -2.674 111.899 114.554 0.031 0.000 2.884 182 T HA 0.306 4.656 4.350 0.000 0.000 0.277 182 T C 1.111 175.806 174.700 -0.009 0.000 0.976 182 T CA -0.180 61.926 62.100 0.011 0.000 0.956 182 T CB 1.386 70.255 68.868 0.002 0.000 1.113 182 T HN 0.657 nan 8.240 nan 0.000 0.554 183 G N 0.005 108.805 108.800 0.000 0.000 2.418 183 G HA2 -0.135 3.825 3.960 0.000 0.000 0.217 183 G HA3 -0.135 3.825 3.960 0.000 0.000 0.217 183 G C 1.070 175.973 174.900 0.005 0.000 1.158 183 G CA 0.608 45.706 45.100 -0.003 0.000 0.771 183 G HN 0.747 nan 8.290 nan 0.000 0.545 184 D N 0.357 120.771 120.400 0.023 0.000 2.183 184 D HA -0.006 4.634 4.640 0.000 0.000 0.203 184 D C 2.423 178.745 176.300 0.036 0.000 0.969 184 D CA 0.664 54.714 54.000 0.083 0.000 0.842 184 D CB -0.116 40.789 40.800 0.176 0.000 0.957 184 D HN 0.435 nan 8.370 nan 0.000 0.484 185 E N -0.084 119.999 120.200 -0.196 0.000 2.072 185 E HA -0.123 4.228 4.350 0.000 0.000 0.191 185 E C 1.967 178.627 176.600 0.100 0.000 0.985 185 E CA 0.243 56.467 56.400 -0.293 0.000 0.801 185 E CB 0.013 29.549 29.700 -0.274 0.000 0.750 185 E HN 0.088 nan 8.360 nan 0.000 0.452 186 L N 1.088 122.311 121.223 0.001 0.000 1.994 186 L HA -0.166 4.174 4.340 0.000 0.000 0.208 186 L C 2.027 178.872 176.870 -0.041 0.000 1.071 186 L CA 1.559 56.352 54.840 -0.078 0.000 0.745 186 L CB -0.272 41.721 42.059 -0.111 0.000 0.892 186 L HN 0.135 nan 8.230 nan 0.000 0.431 187 I N -1.173 119.405 120.570 0.013 0.000 2.127 187 I HA -0.356 3.814 4.170 0.000 0.000 0.241 187 I C 2.423 178.601 176.117 0.101 0.000 1.075 187 I CA 1.887 63.206 61.300 0.031 0.000 1.334 187 I CB -0.536 37.496 38.000 0.052 0.000 1.040 187 I HN 0.348 nan 8.210 nan 0.000 0.405 188 F N 1.966 121.967 119.950 0.084 0.000 2.065 188 F HA -0.316 4.211 4.527 0.000 0.000 0.298 188 F C 2.486 178.365 175.800 0.131 0.000 1.112 188 F CA 1.667 59.760 58.000 0.155 0.000 1.212 188 F CB -0.544 38.644 39.000 0.314 0.000 0.975 188 F HN 0.030 nan 8.300 nan 0.000 0.476 189 A N 0.079 122.936 122.820 0.063 0.000 1.883 189 A HA -0.262 4.059 4.320 0.000 0.000 0.217 189 A C 2.318 179.719 177.584 -0.306 0.000 1.186 189 A CA 3.095 55.029 52.037 -0.172 0.000 0.624 189 A CB -1.745 17.101 19.000 -0.257 0.000 0.822 189 A HN 0.604 nan 8.150 nan 0.000 0.444 190 T N -1.560 112.864 114.554 -0.216 0.000 2.674 190 T HA -0.179 4.171 4.350 0.000 0.000 0.265 190 T C 1.811 176.483 174.700 -0.047 0.000 1.039 190 T CA 1.653 63.664 62.100 -0.150 0.000 1.150 190 T CB -0.443 68.378 68.868 -0.079 0.000 0.864 190 T HN 0.540 nan 8.240 nan 0.000 0.427 191 K N 0.549 120.948 120.400 -0.002 0.000 2.147 191 K HA -0.053 4.267 4.320 0.000 0.000 0.205 191 K C 2.830 179.422 176.600 -0.014 0.000 1.049 191 K CA 1.101 57.480 56.287 0.153 0.000 0.936 191 K CB -0.146 32.489 32.500 0.226 0.000 0.722 191 K HN 0.340 nan 8.250 nan 0.000 0.446 192 Q N 0.345 119.955 119.800 -0.317 0.000 2.083 192 Q HA -0.053 4.287 4.340 0.000 0.000 0.198 192 Q C 2.233 178.019 176.000 -0.358 0.000 0.969 192 Q CA 1.420 56.928 55.803 -0.492 0.000 0.838 192 Q CB -0.166 28.091 28.738 -0.802 0.000 0.900 192 Q HN 0.314 nan 8.270 nan 0.000 0.436 193 A N 0.444 123.039 122.820 -0.376 0.000 1.865 193 A HA -0.208 4.112 4.320 0.000 0.000 0.217 193 A C 1.800 179.205 177.584 -0.297 0.000 1.191 193 A CA 1.572 53.286 52.037 -0.538 0.000 0.623 193 A CB -1.223 17.097 19.000 -1.133 0.000 0.826 193 A HN 0.580 nan 8.150 nan 0.000 0.444 194 W N 1.055 122.233 121.300 -0.202 0.000 2.321 194 W HA -0.200 4.460 4.660 0.000 0.000 0.306 194 W C 2.321 178.744 176.519 -0.160 0.000 1.217 194 W CA 1.787 59.113 57.345 -0.032 0.000 1.257 194 W CB -0.723 28.712 29.460 -0.041 0.000 1.145 194 W HN 0.395 nan 8.180 nan 0.000 0.509 195 R N 0.307 120.682 120.500 -0.209 0.000 2.127 195 R HA -0.164 4.176 4.340 0.000 0.000 0.238 195 R C 1.359 177.507 176.300 -0.254 0.000 1.134 195 R CA 1.796 57.623 56.100 -0.456 0.000 0.975 195 R CB -0.503 29.333 30.300 -0.773 0.000 0.865 195 R HN 0.120 nan 8.270 nan 0.000 0.447 196 N N 0.146 118.731 118.700 -0.192 0.000 2.322 196 N HA 0.048 4.788 4.740 0.000 0.000 0.194 196 N C -0.643 174.800 175.510 -0.112 0.000 1.126 196 N CA 0.408 53.394 53.050 -0.106 0.000 0.845 196 N CB 1.040 39.526 38.487 -0.001 0.000 0.976 196 N HN 0.123 nan 8.380 nan 0.000 0.475 197 A N 2.197 124.927 122.820 -0.151 0.000 2.544 197 A HA 0.297 4.617 4.320 0.000 0.000 0.301 197 A C -1.232 176.277 177.584 -0.125 0.000 1.368 197 A CA -1.069 50.834 52.037 -0.224 0.000 1.045 197 A CB 0.338 19.287 19.000 -0.085 0.000 1.129 197 A HN -0.037 nan 8.150 nan 0.000 0.540 198 P HA -0.172 nan 4.420 nan 0.000 0.217 198 P C 1.175 178.417 177.300 -0.097 0.000 1.148 198 P CA 1.279 64.323 63.100 -0.094 0.000 0.828 198 P CB 0.141 31.779 31.700 -0.103 0.000 0.783 199 R N -2.262 118.137 120.500 -0.168 0.000 2.310 199 R HA 0.119 4.460 4.340 0.000 0.000 0.202 199 R C 0.382 176.682 176.300 0.000 0.000 0.933 199 R CA -0.107 55.923 56.100 -0.117 0.000 1.054 199 R CB -0.472 29.585 30.300 -0.405 0.000 0.985 199 R HN 0.190 nan 8.270 nan 0.000 0.489 200 C N 0.931 120.220 119.300 -0.018 0.000 2.303 200 C HA 0.259 4.719 4.460 0.000 0.000 0.341 200 C C 1.832 176.808 174.990 -0.023 0.000 1.244 200 C CA -0.770 58.267 59.018 0.032 0.000 1.765 200 C CB -0.694 27.131 27.740 0.142 0.000 2.379 200 C HN 0.542 nan 8.230 nan 0.000 0.530 201 I N 4.276 124.802 120.570 -0.073 0.000 3.251 201 I HA 0.150 4.320 4.170 0.000 0.000 0.277 201 I C 1.796 177.950 176.117 0.062 0.000 1.268 201 I CA 1.069 62.273 61.300 -0.160 0.000 1.449 201 I CB 0.064 37.956 38.000 -0.180 0.000 1.083 201 I HN 0.897 nan 8.210 nan 0.000 0.464 202 G N 0.157 108.995 108.800 0.063 0.000 3.518 202 G HA2 0.075 4.035 3.960 0.000 0.000 0.273 202 G HA3 0.075 4.035 3.960 0.000 0.000 0.273 202 G C 1.186 176.107 174.900 0.035 0.000 1.199 202 G CA -0.391 44.748 45.100 0.066 0.000 0.899 202 G HN 0.247 nan 8.290 nan 0.000 0.533 203 R N -0.330 120.055 120.500 -0.191 0.000 2.241 203 R HA -0.033 4.307 4.340 0.000 0.000 0.224 203 R C 2.060 177.853 176.300 -0.844 0.000 1.101 203 R CA 0.304 55.936 56.100 -0.779 0.000 0.995 203 R CB -0.144 29.444 30.300 -1.186 0.000 0.870 203 R HN 0.422 nan 8.270 nan 0.000 0.463 204 I N 1.172 121.461 120.570 -0.468 0.000 2.657 204 I HA -0.246 3.924 4.170 0.000 0.000 0.261 204 I C 1.387 177.408 176.117 -0.161 0.000 1.212 204 I CA 1.614 62.849 61.300 -0.108 0.000 1.453 204 I CB 0.018 38.044 38.000 0.044 0.000 1.092 204 I HN 0.100 nan 8.210 nan 0.000 0.452 205 Q N -0.244 119.391 119.800 -0.274 0.000 2.280 205 Q HA -0.026 4.314 4.340 0.000 0.000 0.201 205 Q C 1.598 177.214 176.000 -0.641 0.000 0.890 205 Q CA 0.176 55.831 55.803 -0.246 0.000 0.947 205 Q CB -0.279 28.512 28.738 0.088 0.000 1.081 205 Q HN 0.818 nan 8.270 nan 0.000 0.502 206 W N 0.272 120.812 121.300 -1.266 0.000 2.341 206 W HA -0.157 4.503 4.660 0.000 0.000 0.283 206 W C 0.879 177.153 176.519 -0.408 0.000 1.215 206 W CA 0.931 57.427 57.345 -1.416 0.000 1.211 206 W CB -1.110 27.664 29.460 -1.143 0.000 1.131 206 W HN -0.021 nan 8.180 nan 0.000 0.552 207 S N 1.417 116.441 115.700 -1.127 0.000 2.383 207 S HA -0.137 4.334 4.470 0.000 0.000 0.227 207 S C 0.631 175.049 174.600 -0.304 0.000 1.026 207 S CA 1.000 58.659 58.200 -0.901 0.000 0.981 207 S CB -0.548 62.091 63.200 -0.935 0.000 0.818 207 S HN 0.198 nan 8.310 nan 0.000 0.472 208 N N 1.905 120.515 118.700 -0.151 0.000 2.469 208 N HA 0.484 5.224 4.740 0.000 0.000 0.239 208 N C -1.049 174.564 175.510 0.172 0.000 1.053 208 N CA -0.076 52.990 53.050 0.026 0.000 0.937 208 N CB 1.284 39.812 38.487 0.069 0.000 1.163 208 N HN 0.159 nan 8.380 nan 0.000 0.509 209 L N 1.571 122.863 121.223 0.115 0.000 2.472 209 L HA 0.374 4.714 4.340 0.000 0.000 0.260 209 L C -1.001 175.848 176.870 -0.035 0.000 0.963 209 L CA -0.665 54.234 54.840 0.098 0.000 0.829 209 L CB 2.326 44.486 42.059 0.168 0.000 1.348 209 L HN 0.310 nan 8.230 nan 0.000 0.408 210 Q N 2.447 122.165 119.800 -0.137 0.000 2.271 210 Q HA 0.715 5.055 4.340 0.000 0.000 0.258 210 Q C -1.807 173.880 176.000 -0.522 0.000 0.936 210 Q CA -0.466 55.093 55.803 -0.405 0.000 0.909 210 Q CB 1.840 30.172 28.738 -0.678 0.000 1.253 210 Q HN 0.517 nan 8.270 nan 0.000 0.440 211 V N 5.203 124.805 119.914 -0.520 0.000 2.334 211 V HA 0.431 4.551 4.120 0.000 0.000 0.281 211 V C -0.897 174.912 176.094 -0.476 0.000 1.016 211 V CA -0.601 61.456 62.300 -0.405 0.000 0.832 211 V CB 0.433 32.125 31.823 -0.217 0.000 0.999 211 V HN 0.676 nan 8.190 nan 0.000 0.439 212 F N 2.667 122.449 119.950 -0.280 0.000 2.371 212 F HA 0.365 4.892 4.527 0.000 0.000 0.363 212 F C 0.688 176.326 175.800 -0.269 0.000 1.122 212 F CA -0.914 56.922 58.000 -0.273 0.000 1.129 212 F CB 0.879 39.693 39.000 -0.309 0.000 1.173 212 F HN 0.435 nan 8.300 nan 0.000 0.489 213 D N 3.471 123.854 120.400 -0.030 0.000 2.352 213 D HA 0.371 5.011 4.640 0.000 0.000 0.245 213 D C -0.022 176.178 176.300 -0.168 0.000 1.224 213 D CA 0.272 54.214 54.000 -0.096 0.000 0.879 213 D CB 1.127 41.896 40.800 -0.052 0.000 1.057 213 D HN 0.635 nan 8.370 nan 0.000 0.491 214 A N 4.569 127.204 122.820 -0.308 0.000 2.643 214 A HA 0.160 4.480 4.320 0.000 0.000 0.295 214 A C 1.354 178.817 177.584 -0.201 0.000 1.065 214 A CA -0.433 51.327 52.037 -0.461 0.000 0.986 214 A CB 0.151 18.492 19.000 -1.099 0.000 1.212 214 A HN 0.511 nan 8.150 nan 0.000 0.516 215 R N -0.135 120.296 120.500 -0.116 0.000 2.307 215 R HA 0.047 4.387 4.340 0.000 0.000 0.199 215 R C 0.701 176.935 176.300 -0.111 0.000 1.000 215 R CA 1.006 57.056 56.100 -0.083 0.000 1.023 215 R CB 0.101 30.390 30.300 -0.018 0.000 0.908 215 R HN 0.357 nan 8.270 nan 0.000 0.473 216 S N -0.117 115.543 115.700 -0.068 0.000 2.572 216 S HA 0.054 4.524 4.470 0.000 0.000 0.228 216 S C 0.468 175.062 174.600 -0.009 0.000 0.963 216 S CA -0.499 57.678 58.200 -0.038 0.000 0.939 216 S CB 0.099 63.301 63.200 0.004 0.000 0.804 216 S HN 0.324 nan 8.310 nan 0.000 0.480 217 C N 2.898 122.183 119.300 -0.025 0.000 2.700 217 C HA 0.385 4.845 4.460 0.000 0.000 0.397 217 C C 1.531 176.517 174.990 -0.006 0.000 1.301 217 C CA 0.446 59.511 59.018 0.079 0.000 2.219 217 C CB 0.252 28.109 27.740 0.194 0.000 2.699 217 C HN 0.580 nan 8.230 nan 0.000 0.669 218 S N 0.443 116.262 115.700 0.199 0.000 2.874 218 S HA 0.239 4.709 4.470 0.000 0.000 0.257 218 S C -0.241 174.555 174.600 0.325 0.000 0.975 218 S CA 0.140 58.532 58.200 0.320 0.000 1.326 218 S CB -0.246 63.059 63.200 0.176 0.000 1.215 218 S HN 1.056 nan 8.310 nan 0.000 0.679 219 T N -1.516 113.198 114.554 0.267 0.000 2.853 219 T HA 0.804 5.154 4.350 0.000 0.000 0.311 219 T C 0.999 175.712 174.700 0.023 0.000 1.307 219 T CA -0.265 61.903 62.100 0.115 0.000 1.019 219 T CB 1.173 70.091 68.868 0.084 0.000 1.264 219 T HN 0.239 nan 8.240 nan 0.000 0.497 220 A N 0.974 123.767 122.820 -0.046 0.000 1.933 220 A HA -0.061 4.259 4.320 0.000 0.000 0.218 220 A C 2.263 179.564 177.584 -0.472 0.000 1.175 220 A CA 1.902 53.836 52.037 -0.172 0.000 0.628 220 A CB -0.747 18.290 19.000 0.061 0.000 0.814 220 A HN 0.912 nan 8.150 nan 0.000 0.444 221 R N -0.355 120.021 120.500 -0.207 0.000 2.115 221 R HA -0.099 4.241 4.340 0.000 0.000 0.226 221 R C 2.065 178.294 176.300 -0.119 0.000 1.100 221 R CA 1.529 57.502 56.100 -0.212 0.000 0.980 221 R CB -0.249 30.123 30.300 0.120 0.000 0.875 221 R HN 0.677 nan 8.270 nan 0.000 0.445 222 E N 0.184 120.352 120.200 -0.053 0.000 2.106 222 E HA -0.186 4.165 4.350 0.000 0.000 0.192 222 E C 1.934 178.558 176.600 0.040 0.000 0.984 222 E CA 1.345 57.733 56.400 -0.020 0.000 0.806 222 E CB 0.037 29.784 29.700 0.078 0.000 0.750 222 E HN 0.388 nan 8.360 nan 0.000 0.458 223 M N -0.167 119.451 119.600 0.029 0.000 2.086 223 M HA -0.133 4.347 4.480 0.000 0.000 0.261 223 M C 2.197 178.524 176.300 0.044 0.000 1.067 223 M CA 1.258 56.590 55.300 0.053 0.000 1.116 223 M CB -0.440 31.947 32.600 -0.356 0.000 1.348 223 M HN 0.175 nan 8.290 nan 0.000 0.407 224 F N 1.753 121.486 119.950 -0.362 0.000 2.091 224 F HA -0.253 4.274 4.527 0.000 0.000 0.299 224 F C 2.096 177.808 175.800 -0.146 0.000 1.103 224 F CA 1.933 59.721 58.000 -0.353 0.000 1.228 224 F CB -0.430 38.144 39.000 -0.710 0.000 0.984 224 F HN 0.183 nan 8.300 nan 0.000 0.477 225 E N -0.989 119.025 120.200 -0.310 0.000 2.031 225 E HA -0.255 4.096 4.350 0.000 0.000 0.193 225 E C 2.225 178.630 176.600 -0.325 0.000 0.994 225 E CA 1.459 57.628 56.400 -0.385 0.000 0.800 225 E CB -0.581 28.953 29.700 -0.276 0.000 0.752 225 E HN 0.527 nan 8.360 nan 0.000 0.447 226 H N 0.593 119.595 119.070 -0.113 0.000 2.319 226 H HA -0.147 4.409 4.556 0.000 0.000 0.297 226 H C 2.320 177.565 175.328 -0.137 0.000 1.097 226 H CA 1.249 57.231 56.048 -0.109 0.000 1.285 226 H CB -0.328 29.474 29.762 0.067 0.000 1.368 226 H HN 0.199 nan 8.280 nan 0.000 0.495 227 I N 0.005 120.613 120.570 0.063 0.000 2.226 227 I HA -0.292 3.878 4.170 0.000 0.000 0.245 227 I C 2.574 178.605 176.117 -0.143 0.000 1.100 227 I CA 0.965 62.262 61.300 -0.004 0.000 1.374 227 I CB -0.219 37.789 38.000 0.013 0.000 1.057 227 I HN 0.241 nan 8.210 nan 0.000 0.413 228 C N -0.023 119.081 119.300 -0.327 0.000 2.435 228 C HA -0.102 4.358 4.460 0.000 0.000 0.279 228 C C 2.897 177.778 174.990 -0.182 0.000 1.321 228 C CA 0.465 59.296 59.018 -0.311 0.000 1.752 228 C CB -1.217 26.221 27.740 -0.504 0.000 1.959 228 C HN 0.462 nan 8.230 nan 0.000 0.500 229 R N 0.256 120.628 120.500 -0.213 0.000 2.073 229 R HA -0.172 4.169 4.340 0.000 0.000 0.234 229 R C 2.224 178.411 176.300 -0.187 0.000 1.134 229 R CA 1.818 57.777 56.100 -0.235 0.000 0.952 229 R CB -0.608 29.470 30.300 -0.369 0.000 0.850 229 R HN 0.764 nan 8.270 nan 0.000 0.433 230 H N -0.596 118.285 119.070 -0.314 0.000 2.293 230 H HA -0.096 4.460 4.556 0.000 0.000 0.300 230 H C 1.974 177.359 175.328 0.095 0.000 1.082 230 H CA 1.641 57.641 56.048 -0.080 0.000 1.308 230 H CB 0.133 29.874 29.762 -0.034 0.000 1.375 230 H HN 0.064 nan 8.280 nan 0.000 0.495 231 V N 0.975 120.967 119.914 0.130 0.000 2.392 231 V HA -0.271 3.849 4.120 0.000 0.000 0.249 231 V C 2.627 178.780 176.094 0.099 0.000 1.059 231 V CA 2.215 64.547 62.300 0.052 0.000 1.051 231 V CB -0.563 31.234 31.823 -0.043 0.000 0.658 231 V HN 0.414 nan 8.190 nan 0.000 0.455 232 R N -1.325 119.228 120.500 0.089 0.000 2.062 232 R HA -0.169 4.171 4.340 0.000 0.000 0.229 232 R C 2.417 178.801 176.300 0.141 0.000 1.128 232 R CA 1.798 57.948 56.100 0.083 0.000 0.960 232 R CB -0.425 29.902 30.300 0.044 0.000 0.855 232 R HN 0.609 nan 8.270 nan 0.000 0.432 233 Y N 0.834 121.208 120.300 0.122 0.000 2.181 233 Y HA -0.192 4.358 4.550 0.000 0.000 0.288 233 Y C 2.248 178.259 175.900 0.184 0.000 1.146 233 Y CA 2.077 60.288 58.100 0.185 0.000 1.164 233 Y CB -0.272 38.402 38.460 0.356 0.000 0.982 233 Y HN 0.021 nan 8.280 nan 0.000 0.515 234 S N -0.472 115.390 115.700 0.270 0.000 2.345 234 S HA -0.179 4.291 4.470 0.000 0.000 0.220 234 S C 1.920 176.556 174.600 0.059 0.000 1.031 234 S CA 1.773 60.077 58.200 0.172 0.000 0.996 234 S CB -0.688 62.732 63.200 0.366 0.000 0.882 234 S HN 0.600 nan 8.310 nan 0.000 0.445 235 T N 1.663 116.264 114.554 0.079 0.000 2.699 235 T HA -0.145 4.205 4.350 0.000 0.000 0.268 235 T C 1.058 175.764 174.700 0.009 0.000 1.036 235 T CA 1.342 63.477 62.100 0.058 0.000 1.147 235 T CB -0.649 68.252 68.868 0.054 0.000 0.862 235 T HN 0.476 nan 8.240 nan 0.000 0.446 236 N N 1.421 120.102 118.700 -0.030 0.000 2.701 236 N HA -0.254 4.486 4.740 0.000 0.000 0.250 236 N C -0.422 175.067 175.510 -0.036 0.000 1.046 236 N CA 0.948 53.959 53.050 -0.066 0.000 0.733 236 N CB -2.082 36.321 38.487 -0.140 0.000 0.973 236 N HN 0.689 nan 8.380 nan 0.000 0.541 237 N N -2.609 116.083 118.700 -0.014 0.000 2.754 237 N HA -0.210 4.530 4.740 0.000 0.000 0.248 237 N C 0.921 176.419 175.510 -0.020 0.000 1.093 237 N CA 0.940 53.982 53.050 -0.014 0.000 0.699 237 N CB -1.198 37.279 38.487 -0.017 0.000 1.016 237 N HN 0.836 nan 8.380 nan 0.000 0.552 238 G N -0.244 108.550 108.800 -0.010 0.000 2.313 238 G HA2 -0.314 3.646 3.960 0.000 0.000 0.215 238 G HA3 -0.314 3.646 3.960 0.000 0.000 0.215 238 G C 0.015 174.907 174.900 -0.013 0.000 1.023 238 G CA 0.097 45.190 45.100 -0.011 0.000 0.626 238 G HN 0.424 nan 8.290 nan 0.000 0.503 239 N N 2.438 121.116 118.700 -0.036 0.000 3.050 239 N HA 0.252 4.992 4.740 0.000 0.000 0.289 239 N C 0.941 176.424 175.510 -0.045 0.000 1.209 239 N CA -0.278 52.733 53.050 -0.064 0.000 1.154 239 N CB -0.454 37.990 38.487 -0.072 0.000 1.444 239 N HN 0.393 nan 8.380 nan 0.000 0.529 240 I N 1.595 122.168 120.570 0.006 0.000 2.948 240 I HA -0.115 4.055 4.170 0.000 0.000 0.303 240 I C 0.820 177.035 176.117 0.164 0.000 1.224 240 I CA 0.829 62.198 61.300 0.116 0.000 1.442 240 I CB -0.269 37.890 38.000 0.265 0.000 1.328 240 I HN 0.208 nan 8.210 nan 0.000 0.578 241 R N 3.559 124.155 120.500 0.160 0.000 2.575 241 R HA 0.348 4.688 4.340 0.000 0.000 0.293 241 R C -0.472 175.976 176.300 0.247 0.000 0.983 241 R CA -0.671 55.535 56.100 0.175 0.000 0.887 241 R CB 2.021 32.255 30.300 -0.110 0.000 1.184 241 R HN 0.747 nan 8.270 nan 0.000 0.445 242 S N 1.305 117.152 115.700 0.245 0.000 2.510 242 S HA 0.627 5.098 4.470 0.000 0.000 0.279 242 S C -0.042 174.634 174.600 0.127 0.000 1.284 242 S CA -0.634 57.624 58.200 0.096 0.000 1.059 242 S CB 1.476 64.618 63.200 -0.097 0.000 0.901 242 S HN 0.711 nan 8.310 nan 0.000 0.491 243 A N 2.862 125.751 122.820 0.116 0.000 2.587 243 A HA 0.840 5.160 4.320 0.000 0.000 0.293 243 A C -1.104 176.444 177.584 -0.059 0.000 1.087 243 A CA -0.901 51.114 52.037 -0.038 0.000 0.692 243 A CB 1.352 20.325 19.000 -0.044 0.000 1.291 243 A HN 1.072 nan 8.150 nan 0.000 0.407 244 I N 0.223 120.670 120.570 -0.206 0.000 2.686 244 I HA 0.665 4.835 4.170 0.000 0.000 0.295 244 I C -1.051 175.010 176.117 -0.094 0.000 1.114 244 I CA -0.136 61.159 61.300 -0.008 0.000 1.038 244 I CB 2.444 40.448 38.000 0.008 0.000 1.238 244 I HN 0.594 nan 8.210 nan 0.000 0.420 245 T N 6.132 120.704 114.554 0.030 0.000 2.792 245 T HA 0.508 4.858 4.350 0.000 0.000 0.280 245 T C -0.897 173.636 174.700 -0.280 0.000 0.990 245 T CA -0.384 61.642 62.100 -0.123 0.000 0.960 245 T CB 1.552 70.352 68.868 -0.115 0.000 0.939 245 T HN 0.284 nan 8.240 nan 0.000 0.439 246 V N 4.711 124.425 119.914 -0.334 0.000 2.334 246 V HA 0.500 4.620 4.120 0.000 0.000 0.281 246 V C -0.350 175.570 176.094 -0.290 0.000 1.016 246 V CA -0.942 61.226 62.300 -0.220 0.000 0.832 246 V CB 0.182 31.936 31.823 -0.115 0.000 0.999 246 V HN 0.781 nan 8.190 nan 0.000 0.439 247 F N 4.310 124.298 119.950 0.063 0.000 2.362 247 F HA 0.461 4.988 4.527 0.000 0.000 0.311 247 F C -1.657 174.103 175.800 -0.066 0.000 1.161 247 F CA -2.274 55.702 58.000 -0.042 0.000 1.085 247 F CB 0.392 39.413 39.000 0.034 0.000 1.311 247 F HN 0.293 nan 8.300 nan 0.000 0.524 248 P HA -0.096 nan 4.420 nan 0.000 0.266 248 P C -1.225 175.941 177.300 -0.222 0.000 1.180 248 P CA 0.183 63.133 63.100 -0.251 0.000 0.765 248 P CB 0.220 31.552 31.700 -0.613 0.000 0.806 249 Q N 2.177 121.701 119.800 -0.461 0.000 2.382 249 Q HA 0.241 4.581 4.340 0.000 0.000 0.229 249 Q C 0.061 175.823 176.000 -0.397 0.000 1.006 249 Q CA -0.780 54.498 55.803 -0.875 0.000 0.916 249 Q CB 0.695 28.715 28.738 -1.197 0.000 1.235 249 Q HN 0.247 nan 8.270 nan 0.000 0.512 250 R N 0.749 121.053 120.500 -0.327 0.000 2.543 250 R HA 0.086 4.426 4.340 0.000 0.000 0.277 250 R C -0.000 176.228 176.300 -0.120 0.000 1.074 250 R CA 0.714 56.740 56.100 -0.125 0.000 1.076 250 R CB 0.744 31.000 30.300 -0.075 0.000 0.993 250 R HN 0.957 nan 8.270 nan 0.000 0.459 251 S N 2.004 117.679 115.700 -0.042 0.000 2.910 251 S HA -0.012 4.458 4.470 0.000 0.000 0.167 251 S C 0.924 175.520 174.600 -0.007 0.000 0.681 251 S CA 0.201 58.375 58.200 -0.043 0.000 0.828 251 S CB -0.269 62.902 63.200 -0.048 0.000 0.739 251 S HN 0.793 nan 8.310 nan 0.000 0.611 252 D N 0.620 121.039 120.400 0.032 0.000 2.348 252 D HA 0.237 4.877 4.640 0.000 0.000 0.211 252 D C 1.433 177.772 176.300 0.064 0.000 0.998 252 D CA 0.984 55.016 54.000 0.052 0.000 0.873 252 D CB -0.468 40.380 40.800 0.080 0.000 0.925 252 D HN 1.035 nan 8.370 nan 0.000 0.524 253 G N 0.596 109.442 108.800 0.076 0.000 2.157 253 G HA2 -0.293 3.667 3.960 0.000 0.000 0.239 253 G HA3 -0.293 3.667 3.960 0.000 0.000 0.239 253 G C 0.835 175.763 174.900 0.047 0.000 0.982 253 G CA 0.353 45.482 45.100 0.048 0.000 0.650 253 G HN 0.466 nan 8.290 nan 0.000 0.527 254 K N -0.261 120.195 120.400 0.094 0.000 2.402 254 K HA 0.224 4.544 4.320 0.000 0.000 0.204 254 K C 0.365 176.818 176.600 -0.244 0.000 1.056 254 K CA -0.221 56.039 56.287 -0.044 0.000 1.069 254 K CB 0.542 33.011 32.500 -0.053 0.000 0.888 254 K HN 0.538 nan 8.250 nan 0.000 0.546 255 H N 1.120 120.202 119.070 0.019 0.000 2.587 255 H HA 0.174 4.730 4.556 0.000 0.000 0.245 255 H C -0.868 174.495 175.328 0.059 0.000 1.238 255 H CA -0.614 55.447 56.048 0.022 0.000 0.963 255 H CB 0.485 30.290 29.762 0.071 0.000 1.904 255 H HN 0.022 nan 8.280 nan 0.000 0.584 256 D N 0.879 121.329 120.400 0.084 0.000 2.425 256 D HA 0.011 4.652 4.640 0.000 0.000 0.247 256 D C -0.108 176.220 176.300 0.047 0.000 1.147 256 D CA 0.462 54.530 54.000 0.113 0.000 0.879 256 D CB 0.506 41.346 40.800 0.066 0.000 1.179 256 D HN 0.146 nan 8.370 nan 0.000 0.456 257 F N 3.542 123.505 119.950 0.023 0.000 2.313 257 F HA 0.299 4.826 4.527 0.000 0.000 0.369 257 F C 0.959 176.758 175.800 -0.001 0.000 1.109 257 F CA -0.574 57.408 58.000 -0.030 0.000 1.132 257 F CB 0.409 39.388 39.000 -0.034 0.000 1.291 257 F HN 0.146 nan 8.300 nan 0.000 0.496 258 R N 1.049 121.604 120.500 0.091 0.000 2.739 258 R HA 0.805 5.145 4.340 0.000 0.000 0.271 258 R C -2.097 174.298 176.300 0.159 0.000 1.010 258 R CA -1.108 55.083 56.100 0.151 0.000 0.897 258 R CB 1.524 31.922 30.300 0.162 0.000 1.236 258 R HN 0.123 nan 8.270 nan 0.000 0.466 259 V N 1.952 121.978 119.914 0.186 0.000 2.383 259 V HA 0.112 4.232 4.120 0.000 0.000 0.275 259 V C 0.037 176.326 176.094 0.325 0.000 1.036 259 V CA -0.465 61.952 62.300 0.195 0.000 0.889 259 V CB 0.967 32.872 31.823 0.137 0.000 0.985 259 V HN 0.747 nan 8.190 nan 0.000 0.459 260 W N 2.385 123.700 121.300 0.026 0.000 2.467 260 W HA 0.023 4.683 4.660 0.000 0.000 0.275 260 W C 1.274 177.897 176.519 0.174 0.000 1.239 260 W CA -0.269 57.141 57.345 0.108 0.000 1.266 260 W CB -0.625 28.927 29.460 0.153 0.000 1.112 260 W HN 0.541 nan 8.180 nan 0.000 0.576 261 N N -0.113 118.767 118.700 0.300 0.000 2.354 261 N HA 0.239 4.979 4.740 0.000 0.000 0.246 261 N C 0.971 176.557 175.510 0.125 0.000 1.285 261 N CA 0.390 53.549 53.050 0.181 0.000 0.925 261 N CB 0.791 39.312 38.487 0.057 0.000 1.174 261 N HN -0.129 nan 8.380 nan 0.000 0.478 262 A N 0.331 123.205 122.820 0.089 0.000 2.147 262 A HA 0.042 4.362 4.320 0.000 0.000 0.211 262 A C 0.379 177.949 177.584 -0.023 0.000 1.160 262 A CA 0.744 52.812 52.037 0.052 0.000 0.781 262 A CB 0.246 19.299 19.000 0.088 0.000 0.842 262 A HN 0.702 nan 8.150 nan 0.000 0.475 263 Q N -1.395 118.373 119.800 -0.054 0.000 2.353 263 Q HA 0.443 4.783 4.340 0.000 0.000 0.275 263 Q C -0.028 175.873 176.000 -0.165 0.000 1.029 263 Q CA -0.549 55.176 55.803 -0.130 0.000 0.848 263 Q CB 1.791 30.457 28.738 -0.120 0.000 1.390 263 Q HN 0.198 nan 8.270 nan 0.000 0.401 264 L N 0.870 121.974 121.223 -0.198 0.000 2.187 264 L HA -0.008 4.332 4.340 0.000 0.000 0.213 264 L C 0.482 177.211 176.870 -0.236 0.000 1.100 264 L CA 1.381 56.112 54.840 -0.182 0.000 0.765 264 L CB -0.082 41.852 42.059 -0.208 0.000 0.904 264 L HN 0.495 nan 8.230 nan 0.000 0.437 265 I N -0.670 119.674 120.570 -0.377 0.000 2.466 265 I HA 0.422 4.592 4.170 0.000 0.000 0.289 265 I C -0.491 175.076 176.117 -0.917 0.000 1.026 265 I CA -0.656 60.275 61.300 -0.616 0.000 1.078 265 I CB 2.041 39.594 38.000 -0.745 0.000 1.249 265 I HN -0.061 nan 8.210 nan 0.000 0.429 266 R N 5.031 125.095 120.500 -0.727 0.000 2.633 266 R HA 0.379 4.719 4.340 0.000 0.000 0.256 266 R C -1.918 174.201 176.300 -0.302 0.000 1.131 266 R CA -0.686 55.082 56.100 -0.554 0.000 0.994 266 R CB 0.883 31.047 30.300 -0.227 0.000 1.261 266 R HN 0.303 nan 8.270 nan 0.000 0.446 267 Y N 1.889 122.185 120.300 -0.007 0.000 2.397 267 Y HA 0.518 5.068 4.550 0.000 0.000 0.335 267 Y C 1.177 177.080 175.900 0.006 0.000 1.213 267 Y CA 0.018 58.153 58.100 0.059 0.000 1.391 267 Y CB 0.618 39.199 38.460 0.202 0.000 1.293 267 Y HN 0.720 nan 8.280 nan 0.000 0.557 268 A N 1.215 124.107 122.820 0.120 0.000 2.346 268 A HA 0.621 4.941 4.320 0.000 0.000 0.252 268 A C 0.549 177.934 177.584 -0.332 0.000 1.089 268 A CA 0.106 52.033 52.037 -0.184 0.000 0.797 268 A CB -0.175 18.643 19.000 -0.303 0.000 1.047 268 A HN 0.939 nan 8.150 nan 0.000 0.494 269 G N 0.007 108.549 108.800 -0.430 0.000 2.605 269 G HA2 0.545 4.505 3.960 0.000 0.000 0.304 269 G HA3 0.545 4.505 3.960 0.000 0.000 0.304 269 G C -1.113 173.577 174.900 -0.350 0.000 1.333 269 G CA -0.234 44.678 45.100 -0.312 0.000 0.973 269 G HN 0.520 nan 8.290 nan 0.000 0.507 270 Y N 1.124 121.437 120.300 0.022 0.000 2.335 270 Y HA 0.359 4.909 4.550 0.000 0.000 0.339 270 Y C 0.636 176.574 175.900 0.064 0.000 0.987 270 Y CA -0.951 57.174 58.100 0.042 0.000 1.140 270 Y CB 2.059 40.562 38.460 0.072 0.000 1.173 270 Y HN 0.499 nan 8.280 nan 0.000 0.486 271 Q N 3.858 123.786 119.800 0.213 0.000 2.344 271 Q HA 0.225 4.565 4.340 0.000 0.000 0.253 271 Q C -0.792 175.303 176.000 0.159 0.000 1.050 271 Q CA -0.290 55.595 55.803 0.137 0.000 0.912 271 Q CB 0.338 29.131 28.738 0.092 0.000 1.258 271 Q HN 0.512 nan 8.270 nan 0.000 0.443 272 M N 5.124 124.800 119.600 0.126 0.000 2.157 272 M HA 0.202 4.682 4.480 0.000 0.000 0.304 272 M C -1.502 174.823 176.300 0.042 0.000 1.171 272 M CA -2.463 52.887 55.300 0.083 0.000 1.157 272 M CB -0.525 32.106 32.600 0.053 0.000 1.403 272 M HN 0.434 nan 8.290 nan 0.000 0.473 273 P HA -0.098 nan 4.420 nan 0.000 0.220 273 P C 0.587 177.886 177.300 -0.003 0.000 1.152 273 P CA 1.026 64.123 63.100 -0.005 0.000 0.812 273 P CB -0.015 31.667 31.700 -0.031 0.000 0.792 274 D N -1.267 119.130 120.400 -0.005 0.000 2.378 274 D HA -0.023 4.617 4.640 0.000 0.000 0.227 274 D C 1.416 177.719 176.300 0.005 0.000 1.012 274 D CA 1.082 55.080 54.000 -0.004 0.000 0.905 274 D CB -0.581 40.214 40.800 -0.008 0.000 0.895 274 D HN 0.256 nan 8.370 nan 0.000 0.532 275 G N 0.578 109.385 108.800 0.013 0.000 2.234 275 G HA2 -0.310 3.650 3.960 0.000 0.000 0.235 275 G HA3 -0.310 3.650 3.960 0.000 0.000 0.235 275 G C 0.496 175.409 174.900 0.021 0.000 0.997 275 G CA 0.469 45.580 45.100 0.017 0.000 0.623 275 G HN 0.796 nan 8.290 nan 0.000 0.514 276 S N 0.366 116.078 115.700 0.020 0.000 2.617 276 S HA 0.682 5.152 4.470 0.000 0.000 0.259 276 S C 0.318 174.937 174.600 0.033 0.000 1.301 276 S CA -0.181 58.032 58.200 0.020 0.000 0.984 276 S CB 1.066 64.275 63.200 0.015 0.000 0.954 276 S HN 0.605 nan 8.310 nan 0.000 0.572 277 I N 1.243 121.827 120.570 0.024 0.000 2.465 277 I HA 0.446 4.616 4.170 0.000 0.000 0.291 277 I C -0.094 176.039 176.117 0.027 0.000 1.014 277 I CA -0.488 60.829 61.300 0.029 0.000 1.093 277 I CB 1.894 39.889 38.000 -0.008 0.000 1.267 277 I HN 0.791 nan 8.210 nan 0.000 0.431 278 R N 3.857 124.414 120.500 0.095 0.000 2.343 278 R HA 0.698 5.038 4.340 0.000 0.000 0.320 278 R C 0.109 176.476 176.300 0.110 0.000 0.956 278 R CA 0.521 56.696 56.100 0.125 0.000 0.836 278 R CB 0.967 31.410 30.300 0.239 0.000 1.151 278 R HN 0.935 nan 8.270 nan 0.000 0.450 279 G N 2.942 111.716 108.800 -0.044 0.000 2.475 279 G HA2 -0.224 3.736 3.960 0.000 0.000 0.223 279 G HA3 -0.224 3.736 3.960 0.000 0.000 0.223 279 G C -1.338 173.318 174.900 -0.407 0.000 1.201 279 G CA -0.099 44.938 45.100 -0.105 0.000 0.962 279 G HN 0.637 nan 8.290 nan 0.000 0.586 280 D N 2.522 122.836 120.400 -0.143 0.000 2.411 280 D HA 0.434 5.074 4.640 0.000 0.000 0.225 280 D C -0.517 175.736 176.300 -0.078 0.000 1.156 280 D CA -1.462 52.471 54.000 -0.111 0.000 0.874 280 D CB 1.383 42.394 40.800 0.352 0.000 1.034 280 D HN 0.095 nan 8.370 nan 0.000 0.502 281 P HA -0.119 nan 4.420 nan 0.000 0.225 281 P C 0.956 178.258 177.300 0.003 0.000 1.148 281 P CA 0.465 63.533 63.100 -0.054 0.000 0.779 281 P CB 0.267 31.933 31.700 -0.056 0.000 0.780 282 A N 0.143 122.990 122.820 0.045 0.000 2.121 282 A HA -0.094 4.226 4.320 0.000 0.000 0.218 282 A C 1.529 179.155 177.584 0.069 0.000 1.154 282 A CA 0.982 53.067 52.037 0.081 0.000 0.679 282 A CB -1.168 17.915 19.000 0.138 0.000 0.795 282 A HN 0.333 nan 8.150 nan 0.000 0.458 283 N N -0.677 118.044 118.700 0.035 0.000 2.401 283 N HA 0.219 4.959 4.740 0.000 0.000 0.264 283 N C 0.552 176.020 175.510 -0.070 0.000 1.238 283 N CA -0.144 52.902 53.050 -0.007 0.000 0.889 283 N CB 1.074 39.557 38.487 -0.006 0.000 1.196 283 N HN 0.140 nan 8.380 nan 0.000 0.511 284 V N 0.974 120.856 119.914 -0.053 0.000 2.407 284 V HA -0.221 3.899 4.120 0.000 0.000 0.248 284 V C 2.134 178.170 176.094 -0.097 0.000 1.055 284 V CA 1.685 63.945 62.300 -0.067 0.000 1.049 284 V CB -0.292 31.516 31.823 -0.026 0.000 0.662 284 V HN 0.395 nan 8.190 nan 0.000 0.455 285 E N 0.187 120.315 120.200 -0.120 0.000 2.047 285 E HA -0.167 4.183 4.350 0.000 0.000 0.191 285 E C 2.178 178.541 176.600 -0.394 0.000 0.987 285 E CA 1.583 57.841 56.400 -0.237 0.000 0.799 285 E CB -0.193 29.362 29.700 -0.242 0.000 0.752 285 E HN 0.577 nan 8.360 nan 0.000 0.449 286 I N 0.848 121.180 120.570 -0.397 0.000 2.353 286 I HA -0.173 3.997 4.170 0.000 0.000 0.248 286 I C 2.371 178.349 176.117 -0.232 0.000 1.119 286 I CA 0.865 61.936 61.300 -0.381 0.000 1.417 286 I CB -0.357 37.493 38.000 -0.249 0.000 1.078 286 I HN 0.031 nan 8.210 nan 0.000 0.421 287 T N 0.059 114.499 114.554 -0.190 0.000 2.833 287 T HA -0.240 4.110 4.350 0.000 0.000 0.269 287 T C 1.854 176.537 174.700 -0.029 0.000 1.054 287 T CA 1.536 63.553 62.100 -0.138 0.000 1.135 287 T CB -0.158 68.596 68.868 -0.190 0.000 0.869 287 T HN 0.260 nan 8.240 nan 0.000 0.466 288 Q N 0.715 120.477 119.800 -0.062 0.000 2.096 288 Q HA 0.075 4.415 4.340 0.000 0.000 0.197 288 Q C 2.106 178.088 176.000 -0.030 0.000 0.964 288 Q CA 1.040 56.831 55.803 -0.019 0.000 0.838 288 Q CB -0.687 28.026 28.738 -0.042 0.000 0.906 288 Q HN 0.461 nan 8.270 nan 0.000 0.444 289 L N -0.277 120.891 121.223 -0.093 0.000 2.079 289 L HA -0.200 4.140 4.340 0.000 0.000 0.210 289 L C 2.057 178.919 176.870 -0.014 0.000 1.081 289 L CA 1.777 56.585 54.840 -0.054 0.000 0.752 289 L CB -0.677 41.340 42.059 -0.069 0.000 0.896 289 L HN 0.371 nan 8.230 nan 0.000 0.433 290 C N -0.417 118.867 119.300 -0.026 0.000 2.462 290 C HA -0.110 4.350 4.460 0.000 0.000 0.278 290 C C 2.652 177.743 174.990 0.167 0.000 1.253 290 C CA 0.944 59.968 59.018 0.008 0.000 1.713 290 C CB -0.834 26.828 27.740 -0.130 0.000 2.049 290 C HN 0.608 nan 8.230 nan 0.000 0.477 291 I N 1.009 121.707 120.570 0.212 0.000 2.264 291 I HA -0.211 3.959 4.170 0.000 0.000 0.248 291 I C 1.945 178.110 176.117 0.079 0.000 1.111 291 I CA 1.509 62.916 61.300 0.178 0.000 1.382 291 I CB -0.596 37.487 38.000 0.138 0.000 1.060 291 I HN 0.384 nan 8.210 nan 0.000 0.418 292 D N 0.683 121.104 120.400 0.035 0.000 2.264 292 D HA -0.039 4.601 4.640 0.000 0.000 0.208 292 D C 1.706 177.990 176.300 -0.027 0.000 0.966 292 D CA 1.049 55.038 54.000 -0.018 0.000 0.864 292 D CB 0.104 40.868 40.800 -0.060 0.000 0.933 292 D HN 0.356 nan 8.370 nan 0.000 0.499 293 L N -0.491 120.735 121.223 0.005 0.000 2.791 293 L HA 0.262 4.602 4.340 0.000 0.000 0.239 293 L C 1.230 178.107 176.870 0.012 0.000 1.203 293 L CA -0.040 54.796 54.840 -0.007 0.000 1.002 293 L CB 0.283 42.333 42.059 -0.015 0.000 1.295 293 L HN 0.038 nan 8.230 nan 0.000 0.504 294 G N -0.987 107.833 108.800 0.033 0.000 2.175 294 G HA2 -0.308 3.652 3.960 0.000 0.000 0.244 294 G HA3 -0.308 3.652 3.960 0.000 0.000 0.244 294 G C -0.154 174.802 174.900 0.092 0.000 0.982 294 G CA -0.304 44.815 45.100 0.032 0.000 0.641 294 G HN 0.361 nan 8.290 nan 0.000 0.527 295 W N 1.683 122.943 121.300 -0.068 0.000 2.218 295 W HA 0.710 5.370 4.660 0.000 0.000 0.326 295 W C -0.026 176.469 176.519 -0.040 0.000 1.276 295 W CA -0.894 56.415 57.345 -0.060 0.000 1.210 295 W CB 0.768 30.192 29.460 -0.060 0.000 1.143 295 W HN -0.058 nan 8.180 nan 0.000 0.563 296 K N 7.503 127.511 120.400 -0.654 0.000 2.253 296 K HA 0.336 4.656 4.320 0.000 0.000 0.277 296 K C -2.323 173.631 176.600 -1.077 0.000 1.053 296 K CA -2.165 53.752 56.287 -0.616 0.000 0.892 296 K CB 0.594 32.867 32.500 -0.378 0.000 1.102 296 K HN 0.176 nan 8.250 nan 0.000 0.469 297 P HA 0.140 nan 4.420 nan 0.000 0.276 297 P C -0.657 176.228 177.300 -0.692 0.000 1.235 297 P CA -0.263 62.279 63.100 -0.930 0.000 0.772 297 P CB 1.029 32.174 31.700 -0.925 0.000 0.871 298 K N 1.640 121.687 120.400 -0.588 0.000 2.372 298 K HA 0.107 4.427 4.320 0.000 0.000 0.200 298 K C -0.213 176.235 176.600 -0.253 0.000 1.022 298 K CA -0.257 55.871 56.287 -0.265 0.000 1.125 298 K CB -0.390 32.034 32.500 -0.126 0.000 0.855 298 K HN 0.326 nan 8.250 nan 0.000 0.524 299 Y N 0.302 120.088 120.300 -0.856 0.000 3.007 299 Y HA -0.305 4.245 4.550 0.000 0.000 0.212 299 Y C 0.916 176.585 175.900 -0.384 0.000 1.180 299 Y CA 0.321 57.759 58.100 -1.103 0.000 1.076 299 Y CB -2.031 36.034 38.460 -0.658 0.000 1.254 299 Y HN 0.206 nan 8.280 nan 0.000 0.534 300 G N -0.135 108.663 108.800 -0.003 0.000 2.535 300 G HA2 0.452 4.412 3.960 0.000 0.000 0.303 300 G HA3 0.452 4.412 3.960 0.000 0.000 0.303 300 G C 0.598 175.597 174.900 0.166 0.000 1.237 300 G CA -0.549 44.620 45.100 0.114 0.000 0.986 300 G HN 0.386 nan 8.290 nan 0.000 0.494 301 R N -1.608 118.902 120.500 0.016 0.000 2.265 301 R HA 0.234 4.574 4.340 0.000 0.000 0.194 301 R C -0.214 175.718 176.300 -0.614 0.000 0.931 301 R CA 0.350 56.315 56.100 -0.225 0.000 1.032 301 R CB 0.087 30.210 30.300 -0.296 0.000 0.980 301 R HN 0.348 nan 8.270 nan 0.000 0.497 302 F N 0.664 120.564 119.950 -0.082 0.000 2.566 302 F HA 0.280 4.807 4.527 0.000 0.000 0.352 302 F C -1.181 174.393 175.800 -0.376 0.000 1.534 302 F CA -1.235 56.371 58.000 -0.658 0.000 1.097 302 F CB 0.854 39.274 39.000 -0.967 0.000 1.488 302 F HN -0.247 nan 8.300 nan 0.000 0.562 303 D N 1.677 122.181 120.400 0.172 0.000 2.339 303 D HA 0.210 4.850 4.640 0.000 0.000 0.241 303 D C 0.208 176.771 176.300 0.439 0.000 1.183 303 D CA 0.149 54.353 54.000 0.339 0.000 0.859 303 D CB 1.967 43.040 40.800 0.454 0.000 1.067 303 D HN -0.041 nan 8.370 nan 0.000 0.484 304 V N 3.955 124.120 119.914 0.420 0.000 2.540 304 V HA -0.041 4.080 4.120 0.000 0.000 0.297 304 V C 0.970 177.129 176.094 0.107 0.000 1.024 304 V CA -0.070 62.389 62.300 0.264 0.000 1.105 304 V CB 0.126 32.050 31.823 0.169 0.000 0.938 304 V HN 0.347 nan 8.190 nan 0.000 0.482 305 L N 8.460 129.624 121.223 -0.098 0.000 2.453 305 L HA 0.383 4.723 4.340 0.000 0.000 0.261 305 L C -1.665 174.964 176.870 -0.402 0.000 1.179 305 L CA -1.356 53.233 54.840 -0.419 0.000 0.813 305 L CB 0.809 42.635 42.059 -0.388 0.000 1.110 305 L HN 0.492 nan 8.230 nan 0.000 0.466 306 P HA 0.169 nan 4.420 nan 0.000 0.276 306 P C -1.162 175.990 177.300 -0.247 0.000 1.252 306 P CA -0.474 62.384 63.100 -0.404 0.000 0.802 306 P CB 0.812 32.153 31.700 -0.599 0.000 1.035 307 L N 1.235 122.407 121.223 -0.086 0.000 2.283 307 L HA 0.222 4.562 4.340 0.000 0.000 0.287 307 L C 0.248 177.117 176.870 -0.002 0.000 1.073 307 L CA -0.871 53.969 54.840 -0.001 0.000 0.822 307 L CB 0.905 43.042 42.059 0.130 0.000 1.186 307 L HN 0.078 nan 8.230 nan 0.000 0.436 308 V N 6.081 125.966 119.914 -0.049 0.000 2.387 308 V HA 0.183 4.303 4.120 0.000 0.000 0.260 308 V C 0.346 176.340 176.094 -0.166 0.000 1.054 308 V CA -0.068 62.149 62.300 -0.139 0.000 0.967 308 V CB 0.443 32.188 31.823 -0.131 0.000 1.036 308 V HN 0.489 nan 8.190 nan 0.000 0.481 309 L N 5.350 126.488 121.223 -0.142 0.000 2.287 309 L HA 0.539 4.879 4.340 0.000 0.000 0.287 309 L C 0.077 176.767 176.870 -0.300 0.000 1.022 309 L CA -0.259 54.482 54.840 -0.165 0.000 0.814 309 L CB 1.509 43.505 42.059 -0.105 0.000 1.217 309 L HN 0.592 nan 8.230 nan 0.000 0.420 310 Q N 3.294 122.907 119.800 -0.312 0.000 2.398 310 Q HA 0.596 4.936 4.340 0.000 0.000 0.251 310 Q C -0.971 174.803 176.000 -0.376 0.000 0.999 310 Q CA -0.526 55.080 55.803 -0.328 0.000 0.874 310 Q CB 1.569 30.245 28.738 -0.103 0.000 1.215 310 Q HN 0.775 nan 8.270 nan 0.000 0.470 311 A N 4.220 126.754 122.820 -0.477 0.000 2.304 311 A HA 0.368 4.688 4.320 0.000 0.000 0.323 311 A C 0.187 177.180 177.584 -0.985 0.000 1.195 311 A CA -0.454 51.055 52.037 -0.879 0.000 0.826 311 A CB 0.687 19.398 19.000 -0.481 0.000 1.184 311 A HN 1.023 nan 8.150 nan 0.000 0.496 312 N N 0.783 118.368 118.700 -1.857 0.000 2.710 312 N HA -0.198 4.542 4.740 0.000 0.000 0.249 312 N C 1.006 176.339 175.510 -0.295 0.000 1.059 312 N CA 2.421 55.050 53.050 -0.702 0.000 0.720 312 N CB -1.082 37.300 38.487 -0.175 0.000 0.983 312 N HN 2.239 nan 8.380 nan 0.000 0.544 313 G N -1.689 106.921 108.800 -0.317 0.000 2.189 313 G HA2 -0.395 3.565 3.960 0.000 0.000 0.267 313 G HA3 -0.395 3.565 3.960 0.000 0.000 0.267 313 G C 0.463 175.276 174.900 -0.146 0.000 0.975 313 G CA 0.729 45.712 45.100 -0.196 0.000 0.644 313 G HN 0.672 nan 8.290 nan 0.000 0.537 314 R N 0.379 120.766 120.500 -0.188 0.000 2.726 314 R HA 0.359 4.699 4.340 0.000 0.000 0.272 314 R C 0.010 176.226 176.300 -0.139 0.000 1.097 314 R CA -0.509 55.516 56.100 -0.125 0.000 1.198 314 R CB 0.212 30.432 30.300 -0.134 0.000 1.114 314 R HN 0.180 nan 8.270 nan 0.000 0.550 315 D N 2.059 122.403 120.400 -0.093 0.000 2.400 315 D HA 0.064 4.704 4.640 0.000 0.000 0.238 315 D C -1.912 174.154 176.300 -0.390 0.000 1.157 315 D CA -0.905 52.962 54.000 -0.222 0.000 0.889 315 D CB 0.281 41.108 40.800 0.045 0.000 1.199 315 D HN 0.247 nan 8.370 nan 0.000 0.436 316 P HA 0.171 nan 4.420 nan 0.000 0.274 316 P C -0.818 176.279 177.300 -0.339 0.000 1.256 316 P CA -0.224 62.460 63.100 -0.693 0.000 0.795 316 P CB 1.087 31.971 31.700 -1.360 0.000 1.038 317 E N 0.016 120.067 120.200 -0.248 0.000 2.343 317 E HA 0.392 4.742 4.350 0.000 0.000 0.278 317 E C -0.725 175.744 176.600 -0.218 0.000 0.910 317 E CA -0.793 55.493 56.400 -0.190 0.000 0.757 317 E CB 1.714 31.351 29.700 -0.104 0.000 1.218 317 E HN 0.324 nan 8.360 nan 0.000 0.435 318 L N 1.800 122.791 121.223 -0.387 0.000 2.375 318 L HA 0.561 4.901 4.340 0.000 0.000 0.271 318 L C -0.624 175.767 176.870 -0.799 0.000 1.107 318 L CA -0.362 54.250 54.840 -0.379 0.000 0.806 318 L CB 0.212 42.099 42.059 -0.286 0.000 1.146 318 L HN 0.448 nan 8.230 nan 0.000 0.447 319 F N -0.208 119.549 119.950 -0.323 0.000 2.607 319 F HA 0.304 4.831 4.527 0.000 0.000 0.322 319 F C -0.108 175.435 175.800 -0.428 0.000 1.176 319 F CA -0.676 56.970 58.000 -0.590 0.000 0.977 319 F CB 1.771 40.203 39.000 -0.948 0.000 1.242 319 F HN 0.418 nan 8.300 nan 0.000 0.465 320 E N 4.146 124.210 120.200 -0.226 0.000 2.200 320 E HA 0.385 4.735 4.350 0.000 0.000 0.283 320 E C -0.366 176.347 176.600 0.190 0.000 1.015 320 E CA -0.534 55.862 56.400 -0.007 0.000 0.819 320 E CB 1.738 31.465 29.700 0.045 0.000 1.081 320 E HN 0.483 nan 8.360 nan 0.000 0.397 321 I N 5.198 125.926 120.570 0.264 0.000 2.587 321 I HA 0.026 4.196 4.170 0.000 0.000 0.284 321 I C -1.977 174.270 176.117 0.217 0.000 1.134 321 I CA -1.757 59.736 61.300 0.322 0.000 1.410 321 I CB -0.037 38.057 38.000 0.156 0.000 1.392 321 I HN 0.186 nan 8.210 nan 0.000 0.545 322 P HA -0.014 nan 4.420 nan 0.000 0.259 322 P C -2.332 175.033 177.300 0.108 0.000 1.163 322 P CA -0.452 62.740 63.100 0.153 0.000 0.760 322 P CB -0.196 31.581 31.700 0.128 0.000 0.762 323 P HA -0.059 nan 4.420 nan 0.000 0.269 323 P C -0.032 177.310 177.300 0.070 0.000 1.211 323 P CA 0.668 63.821 63.100 0.088 0.000 0.781 323 P CB 0.208 31.960 31.700 0.087 0.000 0.877 324 D N -0.183 120.256 120.400 0.064 0.000 2.911 324 D HA -0.166 4.474 4.640 0.000 0.000 0.227 324 D C 0.266 176.592 176.300 0.042 0.000 1.164 324 D CA 0.803 54.833 54.000 0.050 0.000 0.782 324 D CB -1.157 39.669 40.800 0.043 0.000 1.094 324 D HN 0.367 nan 8.370 nan 0.000 0.425 325 L N -0.197 121.053 121.223 0.045 0.000 3.016 325 L HA 0.152 4.492 4.340 0.000 0.000 0.267 325 L C -0.014 176.875 176.870 0.031 0.000 1.182 325 L CA 0.246 55.106 54.840 0.034 0.000 0.997 325 L CB 0.965 43.044 42.059 0.033 0.000 1.354 325 L HN -0.179 nan 8.230 nan 0.000 0.569 326 V N 1.661 121.601 119.914 0.042 0.000 2.266 326 V HA 0.159 4.279 4.120 0.000 0.000 0.266 326 V C 0.084 176.216 176.094 0.062 0.000 1.036 326 V CA -0.649 61.679 62.300 0.047 0.000 0.828 326 V CB 1.428 33.283 31.823 0.055 0.000 1.081 326 V HN 0.112 nan 8.190 nan 0.000 0.449 327 L N 3.814 125.069 121.223 0.055 0.000 2.559 327 L HA 0.291 4.631 4.340 0.000 0.000 0.274 327 L C 0.227 177.127 176.870 0.049 0.000 1.205 327 L CA 1.210 56.072 54.840 0.037 0.000 0.907 327 L CB 0.090 42.164 42.059 0.025 0.000 1.153 327 L HN 0.621 nan 8.230 nan 0.000 0.490 328 E N 3.125 123.334 120.200 0.015 0.000 2.359 328 E HA 0.647 4.997 4.350 0.000 0.000 0.266 328 E C -1.433 175.106 176.600 -0.103 0.000 0.920 328 E CA -1.065 55.338 56.400 0.004 0.000 0.788 328 E CB 2.358 32.093 29.700 0.059 0.000 1.279 328 E HN 0.407 nan 8.360 nan 0.000 0.438 329 V N 1.345 121.171 119.914 -0.147 0.000 2.540 329 V HA 0.555 4.675 4.120 0.000 0.000 0.302 329 V C -0.470 175.584 176.094 -0.066 0.000 1.035 329 V CA -0.725 61.445 62.300 -0.216 0.000 0.873 329 V CB 1.521 32.997 31.823 -0.578 0.000 0.992 329 V HN 0.785 nan 8.190 nan 0.000 0.428 330 A N 6.472 129.268 122.820 -0.041 0.000 2.331 330 A HA 0.789 5.109 4.320 0.000 0.000 0.283 330 A C -0.141 177.494 177.584 0.084 0.000 1.142 330 A CA -0.537 51.505 52.037 0.008 0.000 0.812 330 A CB 0.492 19.496 19.000 0.006 0.000 1.074 330 A HN 0.690 nan 8.150 nan 0.000 0.497 331 M N 2.109 121.795 119.600 0.143 0.000 2.146 331 M HA 0.371 4.851 4.480 0.000 0.000 0.357 331 M C -0.211 176.309 176.300 0.367 0.000 1.261 331 M CA 0.449 55.926 55.300 0.296 0.000 1.106 331 M CB 0.099 32.950 32.600 0.419 0.000 1.612 331 M HN 0.732 nan 8.290 nan 0.000 0.470 332 E N 1.191 121.610 120.200 0.365 0.000 2.290 332 E HA 0.272 4.623 4.350 0.000 0.000 0.274 332 E C -1.168 175.502 176.600 0.116 0.000 0.889 332 E CA -0.655 55.934 56.400 0.315 0.000 0.760 332 E CB 2.404 32.237 29.700 0.222 0.000 1.206 332 E HN 0.487 nan 8.360 nan 0.000 0.419 333 H N 4.686 123.650 119.070 -0.177 0.000 2.517 333 H HA 0.167 4.723 4.556 0.000 0.000 0.317 333 H C -1.660 173.374 175.328 -0.490 0.000 1.080 333 H CA -2.272 53.476 56.048 -0.499 0.000 1.301 333 H CB 1.430 30.782 29.762 -0.682 0.000 1.425 333 H HN 0.364 nan 8.280 nan 0.000 0.471 334 P HA -0.169 nan 4.420 nan 0.000 0.219 334 P C 0.356 177.496 177.300 -0.266 0.000 1.144 334 P CA 1.514 64.229 63.100 -0.641 0.000 0.806 334 P CB 0.684 31.903 31.700 -0.802 0.000 0.771 335 K N -2.485 117.817 120.400 -0.163 0.000 2.424 335 K HA 0.100 4.420 4.320 0.000 0.000 0.200 335 K C 0.237 176.628 176.600 -0.348 0.000 1.279 335 K CA 0.022 56.130 56.287 -0.298 0.000 0.918 335 K CB 0.224 32.452 32.500 -0.454 0.000 1.287 335 K HN 0.005 nan 8.250 nan 0.000 0.502 336 Y N 3.078 123.157 120.300 -0.368 0.000 2.585 336 Y HA 0.087 4.637 4.550 0.000 0.000 0.354 336 Y C 0.802 176.347 175.900 -0.591 0.000 1.024 336 Y CA -0.380 57.307 58.100 -0.688 0.000 1.321 336 Y CB 0.130 37.772 38.460 -1.362 0.000 1.151 336 Y HN 0.094 nan 8.280 nan 0.000 0.525 337 E N 2.878 122.982 120.200 -0.160 0.000 2.418 337 E HA -0.147 4.204 4.350 0.000 0.000 0.197 337 E C 1.137 177.752 176.600 0.025 0.000 1.026 337 E CA 0.767 57.146 56.400 -0.035 0.000 0.862 337 E CB -0.017 29.713 29.700 0.049 0.000 0.799 337 E HN 0.863 nan 8.360 nan 0.000 0.518 338 W N -0.721 120.683 121.300 0.173 0.000 3.003 338 W HA 0.094 4.754 4.660 0.000 0.000 0.257 338 W C 1.138 177.739 176.519 0.137 0.000 1.308 338 W CA -0.411 57.003 57.345 0.115 0.000 1.529 338 W CB -0.698 28.798 29.460 0.060 0.000 1.115 338 W HN -0.060 nan 8.180 nan 0.000 0.659 339 F N 3.070 122.780 119.950 -0.399 0.000 2.202 339 F HA -0.141 4.386 4.527 0.000 0.000 0.301 339 F C 2.521 178.335 175.800 0.023 0.000 1.082 339 F CA 1.942 59.801 58.000 -0.233 0.000 1.313 339 F CB -0.209 38.584 39.000 -0.345 0.000 1.024 339 F HN -0.248 nan 8.300 nan 0.000 0.495 340 R N 0.196 120.766 120.500 0.117 0.000 2.081 340 R HA -0.172 4.168 4.340 0.000 0.000 0.235 340 R C 1.889 178.212 176.300 0.039 0.000 1.131 340 R CA 1.774 57.922 56.100 0.080 0.000 0.960 340 R CB -0.646 29.709 30.300 0.092 0.000 0.856 340 R HN 0.345 nan 8.270 nan 0.000 0.436 341 E N 0.776 121.025 120.200 0.081 0.000 2.401 341 E HA -0.148 4.202 4.350 0.000 0.000 0.199 341 E C 1.570 178.189 176.600 0.031 0.000 1.023 341 E CA 0.596 57.041 56.400 0.075 0.000 0.859 341 E CB -0.070 29.705 29.700 0.124 0.000 0.780 341 E HN 0.351 nan 8.360 nan 0.000 0.523 342 L N 0.663 121.864 121.223 -0.036 0.000 2.376 342 L HA -0.054 4.286 4.340 0.000 0.000 0.219 342 L C 0.258 177.093 176.870 -0.057 0.000 1.133 342 L CA 0.366 55.145 54.840 -0.102 0.000 0.816 342 L CB -0.226 41.637 42.059 -0.327 0.000 0.933 342 L HN 0.100 nan 8.230 nan 0.000 0.449 343 E N 1.107 121.289 120.200 -0.031 0.000 2.240 343 E HA -0.211 4.139 4.350 0.000 0.000 0.194 343 E C -0.646 176.004 176.600 0.084 0.000 1.385 343 E CA 0.166 56.586 56.400 0.034 0.000 0.686 343 E CB -1.426 28.319 29.700 0.076 0.000 1.125 343 E HN 0.412 nan 8.360 nan 0.000 0.359 344 L N 0.866 122.068 121.223 -0.035 0.000 2.333 344 L HA 0.660 5.000 4.340 0.000 0.000 0.269 344 L C 0.347 177.095 176.870 -0.203 0.000 1.010 344 L CA -0.649 54.135 54.840 -0.094 0.000 0.818 344 L CB 1.712 43.614 42.059 -0.262 0.000 1.306 344 L HN 0.198 nan 8.230 nan 0.000 0.430 345 K N 0.516 120.602 120.400 -0.524 0.000 2.571 345 K HA 0.514 4.834 4.320 0.000 0.000 0.289 345 K C -2.108 174.426 176.600 -0.110 0.000 1.028 345 K CA -1.037 55.084 56.287 -0.277 0.000 0.895 345 K CB 2.411 34.709 32.500 -0.336 0.000 1.534 345 K HN 0.584 nan 8.250 nan 0.000 0.421 346 W N 1.635 122.838 121.300 -0.161 0.000 3.137 346 W HA 0.327 4.987 4.660 0.000 0.000 0.324 346 W C -1.136 175.363 176.519 -0.033 0.000 1.253 346 W CA -0.800 56.491 57.345 -0.091 0.000 1.183 346 W CB 1.619 30.916 29.460 -0.272 0.000 1.424 346 W HN 0.699 nan 8.180 nan 0.000 0.566 347 Y N 0.745 120.930 120.300 -0.191 0.000 2.281 347 Y HA 0.528 5.078 4.550 0.000 0.000 0.337 347 Y C 0.737 176.773 175.900 0.226 0.000 1.304 347 Y CA 0.190 58.263 58.100 -0.046 0.000 1.465 347 Y CB 0.039 38.368 38.460 -0.219 0.000 1.350 347 Y HN 0.311 nan 8.280 nan 0.000 0.575 348 A N 0.887 123.929 122.820 0.370 0.000 2.252 348 A HA 0.245 4.565 4.320 0.000 0.000 0.213 348 A C 0.038 177.955 177.584 0.555 0.000 1.188 348 A CA -0.066 52.241 52.037 0.449 0.000 0.863 348 A CB -0.073 19.025 19.000 0.162 0.000 0.893 348 A HN 0.600 nan 8.150 nan 0.000 0.495 349 L N 2.345 123.852 121.223 0.474 0.000 2.264 349 L HA 0.436 4.776 4.340 0.000 0.000 0.287 349 L C -2.597 174.391 176.870 0.197 0.000 1.039 349 L CA -2.205 52.806 54.840 0.283 0.000 0.829 349 L CB 1.456 43.593 42.059 0.132 0.000 1.211 349 L HN -0.046 nan 8.230 nan 0.000 0.427 350 P HA 0.353 nan 4.420 nan 0.000 0.291 350 P C -1.415 175.762 177.300 -0.206 0.000 1.340 350 P CA -0.318 62.597 63.100 -0.308 0.000 0.799 350 P CB 1.355 32.483 31.700 -0.954 0.000 0.917 351 A N 4.468 127.173 122.820 -0.191 0.000 2.457 351 A HA 0.442 4.762 4.320 0.000 0.000 0.283 351 A C -0.278 177.096 177.584 -0.350 0.000 1.166 351 A CA -0.652 51.220 52.037 -0.275 0.000 0.740 351 A CB 0.974 19.807 19.000 -0.278 0.000 1.181 351 A HN 0.289 nan 8.150 nan 0.000 0.446 352 V N 1.896 121.481 119.914 -0.548 0.000 2.637 352 V HA 0.387 4.507 4.120 0.000 0.000 0.296 352 V C 1.229 176.957 176.094 -0.609 0.000 1.046 352 V CA 1.050 62.998 62.300 -0.588 0.000 1.066 352 V CB 1.050 32.364 31.823 -0.848 0.000 0.968 352 V HN 1.134 nan 8.190 nan 0.000 0.483 353 A N 3.750 126.382 122.820 -0.313 0.000 2.066 353 A HA 0.140 4.460 4.320 0.000 0.000 0.198 353 A C 1.362 178.914 177.584 -0.053 0.000 1.405 353 A CA 0.286 52.219 52.037 -0.173 0.000 0.973 353 A CB -0.028 18.924 19.000 -0.080 0.000 1.026 353 A HN 0.804 nan 8.150 nan 0.000 0.474 354 N N 0.517 119.203 118.700 -0.025 0.000 2.410 354 N HA 0.175 4.915 4.740 0.000 0.000 0.231 354 N C -0.132 175.421 175.510 0.073 0.000 1.172 354 N CA 0.139 53.212 53.050 0.038 0.000 0.849 354 N CB -0.394 38.116 38.487 0.038 0.000 1.116 354 N HN 0.428 nan 8.380 nan 0.000 0.485 355 M N 0.273 119.919 119.600 0.077 0.000 2.537 355 M HA 0.386 4.866 4.480 0.000 0.000 0.324 355 M C -0.654 175.786 176.300 0.233 0.000 1.187 355 M CA -0.968 54.430 55.300 0.164 0.000 0.993 355 M CB 2.636 35.337 32.600 0.169 0.000 1.666 355 M HN 0.062 nan 8.290 nan 0.000 0.461 356 L N 3.039 124.420 121.223 0.263 0.000 2.307 356 L HA 0.551 4.891 4.340 0.000 0.000 0.284 356 L C -1.449 175.625 176.870 0.340 0.000 1.023 356 L CA -0.952 54.053 54.840 0.275 0.000 0.810 356 L CB 1.279 43.457 42.059 0.198 0.000 1.231 356 L HN 0.615 nan 8.230 nan 0.000 0.423 357 L N 5.197 126.611 121.223 0.318 0.000 2.257 357 L HA 0.426 4.766 4.340 0.000 0.000 0.290 357 L C -0.374 176.601 176.870 0.175 0.000 1.044 357 L CA 0.244 55.198 54.840 0.190 0.000 0.810 357 L CB 1.073 43.183 42.059 0.084 0.000 1.193 357 L HN 0.592 nan 8.230 nan 0.000 0.425 358 E N 5.061 125.361 120.200 0.166 0.000 2.134 358 E HA 0.409 4.759 4.350 0.000 0.000 0.278 358 E C -1.763 174.848 176.600 0.020 0.000 0.959 358 E CA -0.304 56.183 56.400 0.145 0.000 0.783 358 E CB 1.675 31.502 29.700 0.211 0.000 1.095 358 E HN 0.507 nan 8.360 nan 0.000 0.399 359 V N 3.179 123.073 119.914 -0.033 0.000 2.612 359 V HA 0.546 4.666 4.120 0.000 0.000 0.301 359 V C 0.427 176.401 176.094 -0.200 0.000 1.059 359 V CA 0.472 62.624 62.300 -0.248 0.000 0.886 359 V CB 1.213 32.722 31.823 -0.524 0.000 1.007 359 V HN 0.839 nan 8.190 nan 0.000 0.426 360 G N 4.238 112.952 108.800 -0.144 0.000 2.296 360 G HA2 0.043 4.003 3.960 0.000 0.000 0.282 360 G HA3 0.043 4.003 3.960 0.000 0.000 0.282 360 G C 1.615 176.654 174.900 0.231 0.000 1.014 360 G CA 1.300 46.487 45.100 0.144 0.000 0.812 360 G HN 2.733 nan 8.290 nan 0.000 0.508 361 G N -2.001 106.875 108.800 0.128 0.000 2.241 361 G HA2 -0.233 3.728 3.960 0.000 0.000 0.244 361 G HA3 -0.233 3.728 3.960 0.000 0.000 0.244 361 G C 0.514 175.464 174.900 0.082 0.000 0.998 361 G CA 0.490 45.660 45.100 0.116 0.000 0.621 361 G HN 1.324 nan 8.290 nan 0.000 0.519 362 L N 0.869 122.139 121.223 0.078 0.000 2.395 362 L HA 0.597 4.937 4.340 0.000 0.000 0.269 362 L C 0.331 177.252 176.870 0.086 0.000 1.133 362 L CA -0.353 54.491 54.840 0.006 0.000 0.812 362 L CB 0.973 43.029 42.059 -0.004 0.000 1.125 362 L HN 0.194 nan 8.230 nan 0.000 0.452 363 E N 2.471 122.645 120.200 -0.042 0.000 2.191 363 E HA 0.376 4.726 4.350 0.000 0.000 0.263 363 E C -1.492 175.091 176.600 -0.027 0.000 0.881 363 E CA -0.459 55.972 56.400 0.053 0.000 0.757 363 E CB 1.663 31.352 29.700 -0.019 0.000 1.147 363 E HN 0.255 nan 8.360 nan 0.000 0.414 364 F N 4.038 123.993 119.950 0.008 0.000 2.310 364 F HA 0.250 4.777 4.527 0.000 0.000 0.365 364 F C -1.439 174.425 175.800 0.107 0.000 1.080 364 F CA -2.563 55.464 58.000 0.046 0.000 1.187 364 F CB 1.012 40.028 39.000 0.026 0.000 1.465 364 F HN 0.354 nan 8.300 nan 0.000 0.496 365 P HA -0.025 nan 4.420 nan 0.000 0.236 365 P C 0.499 177.943 177.300 0.241 0.000 1.172 365 P CA 0.700 63.914 63.100 0.189 0.000 0.759 365 P CB 0.471 32.247 31.700 0.125 0.000 0.843 366 G N 0.176 109.172 108.800 0.327 0.000 3.003 366 G HA2 0.415 4.375 3.960 0.000 0.000 0.293 366 G HA3 0.415 4.375 3.960 0.000 0.000 0.293 366 G C -0.496 174.660 174.900 0.426 0.000 1.553 366 G CA -0.374 44.978 45.100 0.419 0.000 1.078 366 G HN 0.240 nan 8.290 nan 0.000 0.550 367 C N 1.557 121.045 119.300 0.312 0.000 3.482 367 C HA 0.531 4.991 4.460 0.000 0.000 0.208 367 C C -2.376 172.746 174.990 0.220 0.000 1.306 367 C CA -2.379 56.784 59.018 0.243 0.000 1.254 367 C CB 0.748 28.662 27.740 0.291 0.000 1.832 367 C HN 0.486 nan 8.230 nan 0.000 0.554 368 P HA 0.397 nan 4.420 nan 0.000 0.271 368 P C -0.675 176.674 177.300 0.082 0.000 1.216 368 P CA 0.826 63.894 63.100 -0.054 0.000 0.771 368 P CB 0.654 32.346 31.700 -0.014 0.000 0.864 369 F N 0.527 120.446 119.950 -0.053 0.000 2.643 369 F HA 0.674 5.201 4.527 0.000 0.000 0.314 369 F C -0.757 174.958 175.800 -0.143 0.000 1.096 369 F CA -1.132 56.845 58.000 -0.039 0.000 0.953 369 F CB 1.673 40.513 39.000 -0.267 0.000 1.345 369 F HN 0.353 nan 8.300 nan 0.000 0.468 370 N N -0.249 118.539 118.700 0.147 0.000 2.610 370 N HA 0.750 5.490 4.740 0.000 0.000 0.264 370 N C -1.224 174.228 175.510 -0.097 0.000 1.348 370 N CA -0.454 52.585 53.050 -0.019 0.000 0.819 370 N CB 2.023 40.506 38.487 -0.007 0.000 1.521 370 N HN 1.074 nan 8.380 nan 0.000 0.497 371 G N -0.899 107.797 108.800 -0.173 0.000 3.214 371 G HA2 0.661 4.621 3.960 0.000 0.000 0.188 371 G HA3 0.661 4.621 3.960 0.000 0.000 0.188 371 G C -1.931 172.931 174.900 -0.064 0.000 1.126 371 G CA -0.693 44.230 45.100 -0.295 0.000 0.796 371 G HN 0.706 nan 8.290 nan 0.000 0.631 372 W N -1.216 120.067 121.300 -0.029 0.000 2.936 372 W HA 0.793 5.453 4.660 0.000 0.000 0.338 372 W C -1.504 175.012 176.519 -0.005 0.000 1.121 372 W CA -2.384 54.969 57.345 0.013 0.000 1.209 372 W CB 0.327 29.833 29.460 0.077 0.000 1.420 372 W HN 0.441 nan 8.180 nan 0.000 0.516 373 Y N 3.175 123.646 120.300 0.285 0.000 2.683 373 Y HA 0.078 4.628 4.550 0.000 0.000 0.340 373 Y C 0.907 176.847 175.900 0.067 0.000 1.245 373 Y CA 0.153 58.305 58.100 0.085 0.000 1.485 373 Y CB 0.746 39.164 38.460 -0.068 0.000 1.328 373 Y HN 0.519 nan 8.280 nan 0.000 0.603 374 M N 3.339 123.070 119.600 0.220 0.000 2.167 374 M HA 0.359 4.839 4.480 0.000 0.000 0.333 374 M C 1.132 177.424 176.300 -0.013 0.000 1.030 374 M CA -0.127 55.237 55.300 0.107 0.000 0.963 374 M CB 1.182 33.830 32.600 0.080 0.000 1.589 374 M HN 0.845 nan 8.290 nan 0.000 0.431 375 G N 2.365 111.112 108.800 -0.088 0.000 2.830 375 G HA2 -0.435 3.525 3.960 0.000 0.000 0.230 375 G HA3 -0.435 3.525 3.960 0.000 0.000 0.230 375 G C 1.173 175.936 174.900 -0.228 0.000 1.172 375 G CA 2.358 47.346 45.100 -0.188 0.000 0.764 375 G HN 0.923 nan 8.290 nan 0.000 0.640 376 T N -0.914 113.534 114.554 -0.178 0.000 2.778 376 T HA -0.152 4.198 4.350 0.000 0.000 0.269 376 T C 1.974 176.522 174.700 -0.254 0.000 1.050 376 T CA 2.000 63.948 62.100 -0.254 0.000 1.137 376 T CB -0.476 68.201 68.868 -0.318 0.000 0.860 376 T HN 0.601 nan 8.240 nan 0.000 0.468 377 E N 0.758 120.844 120.200 -0.191 0.000 2.097 377 E HA -0.103 4.247 4.350 0.000 0.000 0.196 377 E C 2.124 178.503 176.600 -0.369 0.000 1.000 377 E CA 1.744 58.054 56.400 -0.150 0.000 0.804 377 E CB -0.316 29.453 29.700 0.115 0.000 0.740 377 E HN 0.654 nan 8.360 nan 0.000 0.454 378 I N -0.254 119.940 120.570 -0.626 0.000 2.512 378 I HA -0.021 4.149 4.170 0.000 0.000 0.247 378 I C 2.566 178.089 176.117 -0.990 0.000 1.094 378 I CA 0.759 61.390 61.300 -1.115 0.000 1.427 378 I CB -0.419 36.757 38.000 -1.374 0.000 1.149 378 I HN 0.082 nan 8.210 nan 0.000 0.438 379 G N 0.868 109.324 108.800 -0.574 0.000 2.421 379 G HA2 -0.139 3.821 3.960 0.000 0.000 0.216 379 G HA3 -0.139 3.821 3.960 0.000 0.000 0.216 379 G C 1.638 176.462 174.900 -0.126 0.000 1.171 379 G CA 1.028 45.980 45.100 -0.246 0.000 0.775 379 G HN 0.190 nan 8.290 nan 0.000 0.543 380 V N 0.510 120.312 119.914 -0.188 0.000 2.283 380 V HA 0.003 4.123 4.120 0.000 0.000 0.239 380 V C 2.894 178.919 176.094 -0.115 0.000 1.035 380 V CA 1.328 63.547 62.300 -0.134 0.000 1.018 380 V CB -0.400 31.313 31.823 -0.184 0.000 0.658 380 V HN 0.145 nan 8.190 nan 0.000 0.459 381 R N 0.520 120.919 120.500 -0.169 0.000 2.060 381 R HA -0.060 4.280 4.340 0.000 0.000 0.225 381 R C 2.039 178.280 176.300 -0.099 0.000 1.155 381 R CA 1.575 57.599 56.100 -0.126 0.000 0.930 381 R CB -1.341 28.875 30.300 -0.139 0.000 0.829 381 R HN 0.492 nan 8.270 nan 0.000 0.433 382 D N 0.330 120.581 120.400 -0.247 0.000 2.133 382 D HA -0.176 4.464 4.640 0.000 0.000 0.192 382 D C 1.908 178.215 176.300 0.012 0.000 1.001 382 D CA 1.328 55.167 54.000 -0.268 0.000 0.844 382 D CB -0.137 40.076 40.800 -0.978 0.000 0.944 382 D HN 0.091 nan 8.370 nan 0.000 0.447 383 F N 0.365 120.234 119.950 -0.135 0.000 2.219 383 F HA 0.005 4.532 4.527 0.000 0.000 0.294 383 F C 2.560 178.420 175.800 0.100 0.000 1.086 383 F CA -0.090 57.922 58.000 0.019 0.000 1.330 383 F CB -0.846 38.139 39.000 -0.024 0.000 1.047 383 F HN 0.033 nan 8.300 nan 0.000 0.495 384 C N -1.030 118.413 119.300 0.237 0.000 2.634 384 C HA 0.125 4.585 4.460 0.000 0.000 0.268 384 C C 0.364 175.416 174.990 0.102 0.000 1.322 384 C CA -0.668 58.442 59.018 0.154 0.000 1.737 384 C CB -0.836 26.961 27.740 0.096 0.000 1.976 384 C HN 0.110 nan 8.230 nan 0.000 0.547 385 D N 1.521 121.973 120.400 0.086 0.000 2.450 385 D HA 0.073 4.713 4.640 0.000 0.000 0.247 385 D C 1.372 177.720 176.300 0.080 0.000 1.162 385 D CA 0.243 54.279 54.000 0.059 0.000 0.879 385 D CB 0.955 41.783 40.800 0.046 0.000 1.163 385 D HN 0.211 nan 8.370 nan 0.000 0.472 386 V N 2.639 122.589 119.914 0.059 0.000 2.568 386 V HA -0.238 3.882 4.120 0.000 0.000 0.253 386 V C 1.607 177.733 176.094 0.052 0.000 1.072 386 V CA 1.614 63.950 62.300 0.060 0.000 1.084 386 V CB -0.462 31.390 31.823 0.048 0.000 0.676 386 V HN 0.639 nan 8.190 nan 0.000 0.469 387 Q N -0.370 119.459 119.800 0.048 0.000 2.444 387 Q HA 0.086 4.426 4.340 0.000 0.000 0.206 387 Q C 1.119 177.149 176.000 0.050 0.000 0.948 387 Q CA 0.241 56.069 55.803 0.042 0.000 0.946 387 Q CB 0.064 28.827 28.738 0.040 0.000 1.027 387 Q HN 0.594 nan 8.270 nan 0.000 0.513 388 R N -0.371 120.175 120.500 0.077 0.000 2.769 388 R HA 0.250 4.590 4.340 0.000 0.000 0.117 388 R C 1.422 177.762 176.300 0.067 0.000 1.152 388 R CA -0.425 55.745 56.100 0.118 0.000 0.887 388 R CB -1.123 29.314 30.300 0.229 0.000 1.099 388 R HN 0.052 nan 8.270 nan 0.000 0.398 389 Y N 1.644 122.069 120.300 0.209 0.000 2.509 389 Y HA -0.041 4.509 4.550 0.000 0.000 0.293 389 Y C 0.644 176.630 175.900 0.143 0.000 1.133 389 Y CA 0.768 58.992 58.100 0.208 0.000 1.283 389 Y CB -0.250 38.414 38.460 0.340 0.000 1.001 389 Y HN 0.423 nan 8.280 nan 0.000 0.555 390 N N 0.932 119.773 118.700 0.235 0.000 2.686 390 N HA -0.231 4.509 4.740 0.000 0.000 0.261 390 N C 0.305 175.913 175.510 0.164 0.000 1.001 390 N CA 0.865 54.013 53.050 0.164 0.000 0.764 390 N CB -1.331 37.218 38.487 0.105 0.000 0.898 390 N HN 0.680 nan 8.380 nan 0.000 0.544 391 I N -2.954 117.730 120.570 0.189 0.000 3.810 391 I HA 0.099 4.269 4.170 0.000 0.000 0.322 391 I C 1.562 177.773 176.117 0.158 0.000 1.288 391 I CA -0.420 60.963 61.300 0.138 0.000 1.143 391 I CB -0.057 37.981 38.000 0.064 0.000 1.012 391 I HN 0.102 nan 8.210 nan 0.000 0.423 392 L N 1.685 123.019 121.223 0.184 0.000 2.017 392 L HA -0.176 4.164 4.340 0.000 0.000 0.208 392 L C 2.477 179.562 176.870 0.359 0.000 1.073 392 L CA 2.211 57.191 54.840 0.232 0.000 0.745 392 L CB -0.620 41.537 42.059 0.163 0.000 0.894 392 L HN 0.515 nan 8.230 nan 0.000 0.432 393 E N -0.993 119.402 120.200 0.324 0.000 2.047 393 E HA -0.239 4.111 4.350 0.000 0.000 0.191 393 E C 2.156 178.797 176.600 0.068 0.000 0.987 393 E CA 1.065 57.611 56.400 0.244 0.000 0.799 393 E CB -0.227 29.563 29.700 0.149 0.000 0.752 393 E HN 0.497 nan 8.360 nan 0.000 0.449 394 E N 0.122 120.355 120.200 0.054 0.000 2.097 394 E HA -0.203 4.147 4.350 0.000 0.000 0.196 394 E C 2.186 178.767 176.600 -0.032 0.000 1.000 394 E CA 1.809 58.203 56.400 -0.012 0.000 0.804 394 E CB -0.011 29.688 29.700 -0.001 0.000 0.740 394 E HN 0.359 nan 8.360 nan 0.000 0.454 395 V N -2.155 117.799 119.914 0.066 0.000 3.041 395 V HA 0.082 4.202 4.120 0.000 0.000 0.260 395 V C 2.016 178.143 176.094 0.056 0.000 1.105 395 V CA 1.651 64.020 62.300 0.115 0.000 1.125 395 V CB -0.316 31.699 31.823 0.321 0.000 0.730 395 V HN 0.204 nan 8.190 nan 0.000 0.479 396 G N 0.536 109.388 108.800 0.086 0.000 2.394 396 G HA2 -0.148 3.812 3.960 0.000 0.000 0.215 396 G HA3 -0.148 3.812 3.960 0.000 0.000 0.215 396 G C 1.752 176.553 174.900 -0.164 0.000 1.165 396 G CA 0.672 45.803 45.100 0.053 0.000 0.784 396 G HN 0.510 nan 8.290 nan 0.000 0.535 397 R N -0.069 120.296 120.500 -0.226 0.000 2.115 397 R HA 0.075 4.415 4.340 0.000 0.000 0.230 397 R C 2.710 178.803 176.300 -0.344 0.000 1.111 397 R CA 0.567 56.508 56.100 -0.266 0.000 0.976 397 R CB -0.146 30.015 30.300 -0.231 0.000 0.870 397 R HN 0.183 nan 8.270 nan 0.000 0.445 398 R N 0.288 120.500 120.500 -0.480 0.000 2.115 398 R HA -0.018 4.322 4.340 0.000 0.000 0.230 398 R C 1.935 177.696 176.300 -0.898 0.000 1.111 398 R CA 1.143 56.696 56.100 -0.912 0.000 0.976 398 R CB -0.161 29.200 30.300 -1.566 0.000 0.870 398 R HN 0.291 nan 8.270 nan 0.000 0.445 399 M N -0.688 118.597 119.600 -0.525 0.000 2.595 399 M HA 0.101 4.582 4.480 0.000 0.000 0.248 399 M C 1.017 177.206 176.300 -0.185 0.000 1.119 399 M CA 0.831 55.949 55.300 -0.302 0.000 1.079 399 M CB 0.447 32.969 32.600 -0.130 0.000 1.472 399 M HN 0.419 nan 8.290 nan 0.000 0.501 400 G N 1.250 109.925 108.800 -0.210 0.000 2.179 400 G HA2 -0.251 3.709 3.960 0.000 0.000 0.260 400 G HA3 -0.251 3.709 3.960 0.000 0.000 0.260 400 G C 0.104 174.948 174.900 -0.093 0.000 0.977 400 G CA -0.280 44.734 45.100 -0.142 0.000 0.641 400 G HN 0.391 nan 8.290 nan 0.000 0.533 401 L N 1.302 122.479 121.223 -0.077 0.000 2.490 401 L HA 0.255 4.595 4.340 0.000 0.000 0.274 401 L C 1.244 178.040 176.870 -0.124 0.000 1.201 401 L CA 0.165 54.988 54.840 -0.029 0.000 0.869 401 L CB 0.357 42.468 42.059 0.086 0.000 1.123 401 L HN 0.456 nan 8.230 nan 0.000 0.484 402 E N 0.945 121.097 120.200 -0.081 0.000 1.896 402 E HA -0.018 4.332 4.350 0.000 0.000 0.276 402 E C 0.638 176.989 176.600 -0.414 0.000 1.171 402 E CA 0.103 56.425 56.400 -0.129 0.000 1.118 402 E CB -0.445 29.169 29.700 -0.143 0.000 1.077 402 E HN 0.689 nan 8.360 nan 0.000 0.452 403 T N -0.612 113.541 114.554 -0.668 0.000 3.496 403 T HA -0.103 4.247 4.350 0.000 0.000 0.253 403 T C 0.812 175.126 174.700 -0.643 0.000 1.134 403 T CA 0.271 61.422 62.100 -1.581 0.000 0.993 403 T CB -0.468 67.362 68.868 -1.730 0.000 1.018 403 T HN 0.635 nan 8.240 nan 0.000 0.571 404 H N -0.915 117.974 119.070 -0.303 0.000 2.784 404 H HA 0.424 4.980 4.556 0.000 0.000 0.273 404 H C 0.152 175.505 175.328 0.041 0.000 1.112 404 H CA -0.667 55.330 56.048 -0.084 0.000 1.162 404 H CB 0.308 30.016 29.762 -0.091 0.000 1.586 404 H HN 0.377 nan 8.280 nan 0.000 0.548 405 K N 1.845 122.121 120.400 -0.206 0.000 2.656 405 K HA 0.251 4.571 4.320 0.000 0.000 0.241 405 K C 0.297 176.992 176.600 0.158 0.000 0.967 405 K CA -0.408 55.838 56.287 -0.069 0.000 0.946 405 K CB 1.595 33.960 32.500 -0.225 0.000 1.164 405 K HN 0.041 nan 8.250 nan 0.000 0.459 406 L N 2.313 123.637 121.223 0.169 0.000 2.043 406 L HA -0.212 4.128 4.340 0.000 0.000 0.212 406 L C 2.185 179.083 176.870 0.047 0.000 1.075 406 L CA 1.894 56.801 54.840 0.112 0.000 0.752 406 L CB -0.360 41.726 42.059 0.045 0.000 0.891 406 L HN 0.779 nan 8.230 nan 0.000 0.432 407 A N -0.285 122.558 122.820 0.039 0.000 2.234 407 A HA -0.168 4.152 4.320 0.000 0.000 0.216 407 A C 2.268 179.870 177.584 0.029 0.000 1.167 407 A CA 1.635 53.684 52.037 0.020 0.000 0.698 407 A CB -0.551 18.457 19.000 0.015 0.000 0.779 407 A HN 0.574 nan 8.150 nan 0.000 0.475 408 S N -0.980 114.759 115.700 0.064 0.000 2.575 408 S HA 0.297 4.767 4.470 0.000 0.000 0.215 408 S C 0.714 175.367 174.600 0.088 0.000 0.966 408 S CA 0.284 58.530 58.200 0.076 0.000 0.911 408 S CB -0.608 62.645 63.200 0.088 0.000 0.780 408 S HN 0.728 nan 8.310 nan 0.000 0.514 409 L N 1.311 122.557 121.223 0.039 0.000 3.678 409 L HA -0.175 4.165 4.340 0.000 0.000 0.425 409 L C 1.565 178.438 176.870 0.005 0.000 1.240 409 L CA 0.719 55.539 54.840 -0.033 0.000 0.876 409 L CB -2.276 39.776 42.059 -0.012 0.000 1.766 409 L HN 0.770 nan 8.230 nan 0.000 0.917 410 W N -0.120 121.177 121.300 -0.006 0.000 2.418 410 W HA -0.088 4.572 4.660 0.000 0.000 0.292 410 W C 1.695 178.226 176.519 0.021 0.000 1.213 410 W CA 1.067 58.415 57.345 0.004 0.000 1.283 410 W CB -0.574 28.880 29.460 -0.011 0.000 1.119 410 W HN 0.247 nan 8.180 nan 0.000 0.542 411 K N 1.089 120.939 120.400 -0.917 0.000 2.097 411 K HA -0.167 4.153 4.320 0.000 0.000 0.206 411 K C 1.446 177.874 176.600 -0.286 0.000 1.049 411 K CA 2.354 58.124 56.287 -0.861 0.000 0.933 411 K CB -0.316 31.561 32.500 -1.038 0.000 0.717 411 K HN 0.054 nan 8.250 nan 0.000 0.442 412 D N 0.452 120.728 120.400 -0.207 0.000 2.178 412 D HA -0.129 4.511 4.640 0.000 0.000 0.202 412 D C 2.016 178.319 176.300 0.006 0.000 0.974 412 D CA 0.789 54.739 54.000 -0.083 0.000 0.841 412 D CB 0.078 40.838 40.800 -0.067 0.000 0.953 412 D HN 0.118 nan 8.370 nan 0.000 0.478 413 Q N 0.421 120.253 119.800 0.052 0.000 2.046 413 Q HA -0.066 4.274 4.340 0.000 0.000 0.200 413 Q C 2.323 178.416 176.000 0.155 0.000 0.975 413 Q CA 1.271 57.146 55.803 0.120 0.000 0.836 413 Q CB -0.414 28.421 28.738 0.161 0.000 0.896 413 Q HN 0.325 nan 8.270 nan 0.000 0.428 414 A N 1.043 123.968 122.820 0.175 0.000 1.834 414 A HA -0.177 4.143 4.320 0.000 0.000 0.216 414 A C 2.295 179.987 177.584 0.179 0.000 1.203 414 A CA 1.931 54.098 52.037 0.217 0.000 0.621 414 A CB -1.328 17.831 19.000 0.265 0.000 0.841 414 A HN 0.245 nan 8.150 nan 0.000 0.446 415 V N 0.096 120.073 119.914 0.105 0.000 2.313 415 V HA -0.278 3.842 4.120 0.000 0.000 0.253 415 V C 2.348 178.491 176.094 0.082 0.000 1.070 415 V CA 2.845 65.191 62.300 0.076 0.000 1.057 415 V CB -0.667 31.156 31.823 0.001 0.000 0.653 415 V HN 0.339 nan 8.190 nan 0.000 0.450 416 V N 0.160 120.126 119.914 0.087 0.000 2.295 416 V HA -0.164 3.956 4.120 0.000 0.000 0.246 416 V C 2.706 178.875 176.094 0.124 0.000 1.049 416 V CA 2.270 64.628 62.300 0.095 0.000 1.024 416 V CB -0.880 31.004 31.823 0.100 0.000 0.648 416 V HN 0.576 nan 8.190 nan 0.000 0.447 417 E N 0.142 120.459 120.200 0.194 0.000 2.077 417 E HA -0.138 4.212 4.350 0.000 0.000 0.193 417 E C 2.197 178.892 176.600 0.158 0.000 0.989 417 E CA 1.260 57.835 56.400 0.291 0.000 0.800 417 E CB -0.389 29.558 29.700 0.412 0.000 0.746 417 E HN 0.564 nan 8.360 nan 0.000 0.452 418 I N 1.715 122.402 120.570 0.195 0.000 2.151 418 I HA -0.311 3.859 4.170 0.000 0.000 0.243 418 I C 2.113 178.301 176.117 0.117 0.000 1.080 418 I CA 1.131 62.571 61.300 0.233 0.000 1.339 418 I CB -0.423 37.781 38.000 0.341 0.000 1.039 418 I HN 0.107 nan 8.210 nan 0.000 0.409 419 N N 0.771 119.514 118.700 0.072 0.000 2.216 419 N HA -0.094 4.646 4.740 0.000 0.000 0.183 419 N C 1.948 177.437 175.510 -0.035 0.000 1.017 419 N CA 1.131 54.187 53.050 0.010 0.000 0.861 419 N CB 0.061 38.547 38.487 -0.002 0.000 0.986 419 N HN 0.298 nan 8.380 nan 0.000 0.428 420 I N 1.716 122.245 120.570 -0.069 0.000 2.163 420 I HA -0.255 3.915 4.170 0.000 0.000 0.243 420 I C 2.468 178.413 176.117 -0.286 0.000 1.085 420 I CA 0.813 62.009 61.300 -0.174 0.000 1.347 420 I CB -1.124 36.724 38.000 -0.253 0.000 1.044 420 I HN 0.028 nan 8.210 nan 0.000 0.408 421 A N 1.032 123.601 122.820 -0.418 0.000 1.842 421 A HA -0.207 4.113 4.320 0.000 0.000 0.217 421 A C 2.497 180.053 177.584 -0.046 0.000 1.206 421 A CA 2.442 54.230 52.037 -0.414 0.000 0.630 421 A CB -1.239 17.313 19.000 -0.747 0.000 0.839 421 A HN 0.221 nan 8.150 nan 0.000 0.447 422 V N 0.038 119.978 119.914 0.043 0.000 2.250 422 V HA -0.336 3.784 4.120 0.000 0.000 0.253 422 V C 2.588 178.716 176.094 0.057 0.000 1.065 422 V CA 2.340 64.696 62.300 0.092 0.000 1.039 422 V CB -0.797 31.000 31.823 -0.042 0.000 0.647 422 V HN 0.572 nan 8.190 nan 0.000 0.446 423 L N -0.947 120.266 121.223 -0.017 0.000 2.201 423 L HA -0.182 4.158 4.340 0.000 0.000 0.212 423 L C 2.535 179.440 176.870 0.058 0.000 1.105 423 L CA 1.604 56.434 54.840 -0.015 0.000 0.775 423 L CB -0.663 41.384 42.059 -0.020 0.000 0.913 423 L HN 0.560 nan 8.230 nan 0.000 0.440 424 H N -0.627 118.417 119.070 -0.044 0.000 2.333 424 H HA -0.104 4.452 4.556 0.000 0.000 0.302 424 H C 2.263 177.602 175.328 0.018 0.000 1.075 424 H CA 1.614 57.630 56.048 -0.054 0.000 1.348 424 H CB 0.382 30.049 29.762 -0.159 0.000 1.393 424 H HN 0.208 nan 8.280 nan 0.000 0.509 425 S N 0.673 116.400 115.700 0.045 0.000 2.359 425 S HA -0.171 4.299 4.470 0.000 0.000 0.222 425 S C 2.028 176.630 174.600 0.004 0.000 1.038 425 S CA 1.632 59.842 58.200 0.018 0.000 1.051 425 S CB -0.730 62.566 63.200 0.161 0.000 0.944 425 S HN 0.296 nan 8.310 nan 0.000 0.433 426 F N 2.029 121.936 119.950 -0.073 0.000 2.115 426 F HA -0.210 4.317 4.527 0.000 0.000 0.300 426 F C 2.700 178.445 175.800 -0.092 0.000 1.092 426 F CA 1.494 59.460 58.000 -0.057 0.000 1.245 426 F CB -0.753 38.228 39.000 -0.030 0.000 0.995 426 F HN 0.278 nan 8.300 nan 0.000 0.481 427 Q N -0.290 119.548 119.800 0.064 0.000 2.124 427 Q HA -0.226 4.114 4.340 0.000 0.000 0.202 427 Q C 2.309 178.241 176.000 -0.113 0.000 0.977 427 Q CA 1.467 57.248 55.803 -0.037 0.000 0.850 427 Q CB -0.314 28.383 28.738 -0.068 0.000 0.901 427 Q HN 0.380 nan 8.270 nan 0.000 0.429 428 K N 1.171 121.446 120.400 -0.209 0.000 2.026 428 K HA -0.177 4.143 4.320 0.000 0.000 0.208 428 K C 1.404 177.928 176.600 -0.126 0.000 1.048 428 K CA 1.336 57.495 56.287 -0.213 0.000 0.929 428 K CB 0.105 32.422 32.500 -0.305 0.000 0.713 428 K HN 0.244 nan 8.250 nan 0.000 0.439 429 Q N 0.782 120.508 119.800 -0.122 0.000 2.282 429 Q HA 0.033 4.373 4.340 0.000 0.000 0.205 429 Q C -0.482 175.462 176.000 -0.093 0.000 0.915 429 Q CA -0.315 55.423 55.803 -0.109 0.000 0.949 429 Q CB 0.077 28.728 28.738 -0.145 0.000 1.035 429 Q HN 0.274 nan 8.270 nan 0.000 0.484 430 N N 0.803 119.458 118.700 -0.075 0.000 2.642 430 N HA -0.158 4.583 4.740 0.000 0.000 0.269 430 N C -1.753 173.729 175.510 -0.046 0.000 1.073 430 N CA 0.414 53.431 53.050 -0.054 0.000 0.748 430 N CB -0.727 37.729 38.487 -0.051 0.000 0.894 430 N HN 0.017 nan 8.380 nan 0.000 0.548 431 V N 1.449 121.352 119.914 -0.019 0.000 2.588 431 V HA 0.297 4.417 4.120 0.000 0.000 0.304 431 V C 0.542 176.729 176.094 0.156 0.000 1.042 431 V CA -0.785 61.530 62.300 0.026 0.000 0.877 431 V CB 2.133 33.892 31.823 -0.107 0.000 0.996 431 V HN 0.317 nan 8.190 nan 0.000 0.425 432 T N 5.962 120.563 114.554 0.078 0.000 2.831 432 T HA 0.311 4.661 4.350 0.000 0.000 0.291 432 T C -0.319 174.454 174.700 0.121 0.000 0.981 432 T CA 0.977 63.051 62.100 -0.043 0.000 1.174 432 T CB -0.205 68.500 68.868 -0.271 0.000 0.929 432 T HN 0.440 nan 8.240 nan 0.000 0.532 433 I N 3.366 123.940 120.570 0.007 0.000 2.913 433 I HA 0.701 4.871 4.170 0.000 0.000 0.302 433 I C -1.203 174.909 176.117 -0.009 0.000 1.246 433 I CA -1.157 60.131 61.300 -0.020 0.000 1.010 433 I CB 2.275 40.156 38.000 -0.199 0.000 1.259 433 I HN 0.703 nan 8.210 nan 0.000 0.434 434 M N 6.171 125.824 119.600 0.088 0.000 2.393 434 M HA 0.432 4.912 4.480 0.000 0.000 0.299 434 M C -1.694 174.659 176.300 0.088 0.000 1.103 434 M CA -0.565 54.813 55.300 0.131 0.000 0.910 434 M CB 1.567 34.366 32.600 0.331 0.000 1.659 434 M HN 0.686 nan 8.290 nan 0.000 0.445 435 D N 3.440 123.879 120.400 0.065 0.000 2.313 435 D HA 0.078 4.718 4.640 0.000 0.000 0.247 435 D C 0.689 177.019 176.300 0.050 0.000 1.094 435 D CA -0.198 53.838 54.000 0.059 0.000 0.925 435 D CB 0.613 41.423 40.800 0.017 0.000 1.188 435 D HN 0.883 nan 8.370 nan 0.000 0.430 436 H N 1.157 120.190 119.070 -0.061 0.000 2.457 436 H HA -0.166 4.390 4.556 0.000 0.000 0.297 436 H C 1.129 176.387 175.328 -0.117 0.000 1.092 436 H CA 1.211 57.185 56.048 -0.123 0.000 1.309 436 H CB -0.597 29.032 29.762 -0.223 0.000 1.382 436 H HN 0.536 nan 8.280 nan 0.000 0.535 437 H N 1.071 119.936 119.070 -0.342 0.000 2.307 437 H HA 0.016 4.573 4.556 0.000 0.000 0.303 437 H C 2.373 177.676 175.328 -0.042 0.000 1.073 437 H CA 1.468 57.402 56.048 -0.189 0.000 1.338 437 H CB 0.022 29.634 29.762 -0.249 0.000 1.389 437 H HN 0.344 nan 8.280 nan 0.000 0.503 438 S N 0.648 116.409 115.700 0.101 0.000 2.399 438 S HA -0.085 4.385 4.470 0.000 0.000 0.231 438 S C 2.387 177.061 174.600 0.122 0.000 1.022 438 S CA 0.766 59.025 58.200 0.098 0.000 0.983 438 S CB -0.162 63.086 63.200 0.080 0.000 0.803 438 S HN 0.503 nan 8.310 nan 0.000 0.480 439 A N 1.577 124.469 122.820 0.120 0.000 1.898 439 A HA 0.172 4.492 4.320 0.000 0.000 0.216 439 A C 2.353 180.035 177.584 0.163 0.000 1.181 439 A CA 1.562 53.684 52.037 0.143 0.000 0.620 439 A CB -1.035 18.036 19.000 0.118 0.000 0.819 439 A HN 0.502 nan 8.150 nan 0.000 0.442 440 A N -0.436 122.467 122.820 0.137 0.000 1.877 440 A HA -0.180 4.141 4.320 0.000 0.000 0.216 440 A C 1.974 179.692 177.584 0.223 0.000 1.186 440 A CA 1.763 53.905 52.037 0.175 0.000 0.620 440 A CB -0.595 18.483 19.000 0.130 0.000 0.822 440 A HN 0.618 nan 8.150 nan 0.000 0.443 441 E N 0.121 120.425 120.200 0.173 0.000 2.118 441 E HA -0.199 4.151 4.350 0.000 0.000 0.195 441 E C 2.254 178.949 176.600 0.159 0.000 0.992 441 E CA 1.611 58.103 56.400 0.153 0.000 0.804 441 E CB -0.069 29.701 29.700 0.116 0.000 0.741 441 E HN 0.807 nan 8.360 nan 0.000 0.458 442 S N -0.393 115.412 115.700 0.174 0.000 2.395 442 S HA -0.118 4.352 4.470 0.000 0.000 0.225 442 S C 1.859 176.580 174.600 0.201 0.000 1.027 442 S CA 0.373 58.674 58.200 0.168 0.000 0.965 442 S CB -0.467 62.833 63.200 0.167 0.000 0.812 442 S HN 0.352 nan 8.310 nan 0.000 0.482 443 F N 2.566 122.590 119.950 0.123 0.000 2.134 443 F HA 0.007 4.534 4.527 0.000 0.000 0.299 443 F C 2.248 178.174 175.800 0.211 0.000 1.097 443 F CA 1.371 59.464 58.000 0.155 0.000 1.264 443 F CB -0.380 38.685 39.000 0.109 0.000 1.001 443 F HN 0.077 nan 8.300 nan 0.000 0.479 444 M N 0.419 120.129 119.600 0.185 0.000 2.108 444 M HA -0.235 4.245 4.480 0.000 0.000 0.261 444 M C 2.230 178.552 176.300 0.037 0.000 1.066 444 M CA 1.526 56.897 55.300 0.118 0.000 1.107 444 M CB -1.420 31.290 32.600 0.183 0.000 1.356 444 M HN 0.176 nan 8.290 nan 0.000 0.406 445 K N -0.893 119.543 120.400 0.061 0.000 2.026 445 K HA -0.221 4.099 4.320 0.000 0.000 0.208 445 K C 2.186 178.789 176.600 0.004 0.000 1.048 445 K CA 1.512 57.828 56.287 0.049 0.000 0.929 445 K CB -0.352 32.193 32.500 0.075 0.000 0.713 445 K HN 0.282 nan 8.250 nan 0.000 0.439 446 Y N 0.997 121.202 120.300 -0.157 0.000 2.128 446 Y HA -0.233 4.317 4.550 0.000 0.000 0.284 446 Y C 2.196 177.905 175.900 -0.317 0.000 1.154 446 Y CA 1.841 59.814 58.100 -0.211 0.000 1.149 446 Y CB -0.225 38.086 38.460 -0.248 0.000 0.976 446 Y HN 0.029 nan 8.280 nan 0.000 0.505 447 M N 0.093 119.401 119.600 -0.485 0.000 2.202 447 M HA -0.299 4.181 4.480 0.000 0.000 0.262 447 M C 2.384 178.420 176.300 -0.439 0.000 1.063 447 M CA 2.204 57.181 55.300 -0.538 0.000 1.097 447 M CB -0.218 32.144 32.600 -0.395 0.000 1.382 447 M HN 0.550 nan 8.290 nan 0.000 0.413 448 Q N 0.110 119.761 119.800 -0.249 0.000 2.083 448 Q HA -0.160 4.180 4.340 0.000 0.000 0.198 448 Q C 1.433 177.311 176.000 -0.204 0.000 0.969 448 Q CA 1.806 57.507 55.803 -0.170 0.000 0.838 448 Q CB -0.035 28.758 28.738 0.091 0.000 0.900 448 Q HN 0.634 nan 8.270 nan 0.000 0.436 449 N N -0.098 118.475 118.700 -0.211 0.000 2.069 449 N HA -0.179 4.561 4.740 0.000 0.000 0.191 449 N C 1.640 176.967 175.510 -0.304 0.000 1.031 449 N CA 1.124 54.057 53.050 -0.196 0.000 0.852 449 N CB -0.015 38.383 38.487 -0.148 0.000 1.018 449 N HN 0.239 nan 8.380 nan 0.000 0.423 450 E N 0.357 120.233 120.200 -0.540 0.000 2.153 450 E HA -0.167 4.183 4.350 0.000 0.000 0.194 450 E C 1.558 177.831 176.600 -0.546 0.000 0.988 450 E CA 1.094 57.111 56.400 -0.637 0.000 0.811 450 E CB -0.199 28.927 29.700 -0.957 0.000 0.746 450 E HN 0.550 nan 8.360 nan 0.000 0.466 451 Y N 0.813 120.817 120.300 -0.495 0.000 2.243 451 Y HA -0.055 4.496 4.550 0.000 0.000 0.293 451 Y C 2.622 178.379 175.900 -0.238 0.000 1.124 451 Y CA 1.104 58.955 58.100 -0.415 0.000 1.159 451 Y CB 0.022 38.047 38.460 -0.726 0.000 1.008 451 Y HN -0.057 nan 8.280 nan 0.000 0.527 452 R N -0.684 119.775 120.500 -0.067 0.000 2.080 452 R HA -0.197 4.143 4.340 0.000 0.000 0.236 452 R C 2.559 178.823 176.300 -0.060 0.000 1.137 452 R CA 1.657 57.738 56.100 -0.031 0.000 0.943 452 R CB -0.751 29.533 30.300 -0.028 0.000 0.846 452 R HN 0.234 nan 8.270 nan 0.000 0.431 453 S N 0.957 116.592 115.700 -0.108 0.000 2.355 453 S HA -0.156 4.314 4.470 0.000 0.000 0.210 453 S C 1.850 176.377 174.600 -0.121 0.000 1.035 453 S CA 1.353 59.489 58.200 -0.107 0.000 1.011 453 S CB -0.058 63.066 63.200 -0.127 0.000 1.000 453 S HN 0.450 nan 8.310 nan 0.000 0.423 454 R N 0.253 120.640 120.500 -0.189 0.000 2.334 454 R HA 0.342 4.682 4.340 0.000 0.000 0.216 454 R C 1.165 177.354 176.300 -0.185 0.000 0.905 454 R CA 0.606 56.599 56.100 -0.178 0.000 1.064 454 R CB -0.773 29.398 30.300 -0.214 0.000 1.046 454 R HN 0.565 nan 8.270 nan 0.000 0.508 455 G N 0.511 109.189 108.800 -0.202 0.000 2.356 455 G HA2 -0.185 3.775 3.960 0.000 0.000 0.296 455 G HA3 -0.185 3.775 3.960 0.000 0.000 0.296 455 G C 0.123 174.851 174.900 -0.287 0.000 1.022 455 G CA 0.389 45.403 45.100 -0.143 0.000 0.961 455 G HN 0.847 nan 8.290 nan 0.000 0.510 456 G N -2.627 105.750 108.800 -0.705 0.000 2.523 456 G HA2 0.622 4.582 3.960 0.000 0.000 0.291 456 G HA3 0.622 4.582 3.960 0.000 0.000 0.291 456 G C -0.961 173.431 174.900 -0.847 0.000 1.450 456 G CA 0.272 44.989 45.100 -0.638 0.000 0.790 456 G HN 1.669 nan 8.290 nan 0.000 0.496 457 C N 2.217 121.233 119.300 -0.473 0.000 3.149 457 C HA 0.475 4.935 4.460 0.000 0.000 0.383 457 C C -2.705 172.142 174.990 -0.238 0.000 1.018 457 C CA -1.042 57.760 59.018 -0.360 0.000 1.293 457 C CB 0.663 28.170 27.740 -0.388 0.000 1.640 457 C HN 0.619 nan 8.230 nan 0.000 0.546 458 P HA 0.410 nan 4.420 nan 0.000 0.271 458 P C -0.578 176.584 177.300 -0.230 0.000 1.226 458 P CA 0.656 63.284 63.100 -0.788 0.000 0.765 458 P CB 1.146 32.307 31.700 -0.897 0.000 0.835 459 A N 2.795 125.548 122.820 -0.111 0.000 2.427 459 A HA 0.407 4.727 4.320 0.000 0.000 0.298 459 A C -0.999 176.624 177.584 0.066 0.000 1.036 459 A CA -0.545 51.529 52.037 0.062 0.000 0.701 459 A CB 1.200 20.351 19.000 0.251 0.000 1.250 459 A HN 0.430 nan 8.150 nan 0.000 0.412 460 D N 2.145 122.572 120.400 0.044 0.000 2.443 460 D HA 0.155 4.795 4.640 0.000 0.000 0.221 460 D C 0.799 177.209 176.300 0.184 0.000 1.097 460 D CA -0.423 53.637 54.000 0.100 0.000 0.865 460 D CB 0.483 41.285 40.800 0.003 0.000 1.034 460 D HN 0.623 nan 8.370 nan 0.000 0.511 461 W N 4.487 125.824 121.300 0.062 0.000 2.317 461 W HA -0.220 4.440 4.660 0.000 0.000 0.318 461 W C 1.851 178.422 176.519 0.086 0.000 1.227 461 W CA 1.218 58.595 57.345 0.053 0.000 1.269 461 W CB -0.146 29.330 29.460 0.028 0.000 1.155 461 W HN 0.483 nan 8.180 nan 0.000 0.484 462 I N -0.641 120.247 120.570 0.529 0.000 2.623 462 I HA -0.296 3.874 4.170 0.000 0.000 0.261 462 I C 1.306 177.607 176.117 0.306 0.000 1.204 462 I CA 1.244 62.812 61.300 0.446 0.000 1.444 462 I CB -0.547 37.716 38.000 0.438 0.000 1.094 462 I HN 0.190 nan 8.210 nan 0.000 0.451 463 W N -0.615 120.669 121.300 -0.027 0.000 2.901 463 W HA 0.223 4.884 4.660 0.000 0.000 0.281 463 W C 2.020 178.432 176.519 -0.177 0.000 1.167 463 W CA -0.147 57.153 57.345 -0.074 0.000 1.506 463 W CB -0.181 29.257 29.460 -0.037 0.000 0.985 463 W HN -0.101 nan 8.180 nan 0.000 0.590 464 L N -0.146 121.035 121.223 -0.070 0.000 2.209 464 L HA 0.037 4.377 4.340 0.000 0.000 0.207 464 L C 0.730 177.398 176.870 -0.337 0.000 1.094 464 L CA 0.410 55.081 54.840 -0.282 0.000 0.790 464 L CB -0.990 40.793 42.059 -0.459 0.000 0.932 464 L HN -0.426 nan 8.230 nan 0.000 0.447 465 V N 1.457 121.090 119.914 -0.468 0.000 2.521 465 V HA 0.091 4.211 4.120 0.000 0.000 0.286 465 V C -1.878 174.065 176.094 -0.252 0.000 1.034 465 V CA -1.192 60.844 62.300 -0.440 0.000 1.045 465 V CB 0.150 31.522 31.823 -0.750 0.000 0.974 465 V HN 0.034 nan 8.190 nan 0.000 0.480 466 P HA 0.106 nan 4.420 nan 0.000 0.268 466 P C -1.709 175.477 177.300 -0.189 0.000 1.208 466 P CA -0.993 61.999 63.100 -0.179 0.000 0.777 466 P CB 0.083 31.692 31.700 -0.152 0.000 0.875 467 P HA -0.034 nan 4.420 nan 0.000 0.234 467 P C 0.039 177.230 177.300 -0.181 0.000 1.167 467 P CA 1.330 64.316 63.100 -0.190 0.000 0.763 467 P CB 0.077 31.656 31.700 -0.203 0.000 0.835 468 M N -4.242 115.216 119.600 -0.238 0.000 2.433 468 M HA 0.534 5.014 4.480 0.000 0.000 0.290 468 M C -0.475 175.723 176.300 -0.169 0.000 1.173 468 M CA -0.549 54.630 55.300 -0.202 0.000 0.905 468 M CB 2.177 34.635 32.600 -0.238 0.000 1.692 468 M HN -0.342 nan 8.290 nan 0.000 0.462 469 S N 1.337 116.989 115.700 -0.079 0.000 3.635 469 S HA -0.159 4.311 4.470 0.000 0.000 0.328 469 S C 1.073 175.643 174.600 -0.049 0.000 1.135 469 S CA 0.870 59.057 58.200 -0.021 0.000 0.942 469 S CB -1.815 61.445 63.200 0.100 0.000 0.930 469 S HN 1.253 nan 8.310 nan 0.000 0.512 470 G N 2.105 110.844 108.800 -0.100 0.000 2.672 470 G HA2 -0.342 3.618 3.960 0.000 0.000 0.218 470 G HA3 -0.342 3.618 3.960 0.000 0.000 0.218 470 G C 1.419 176.141 174.900 -0.297 0.000 1.238 470 G CA 1.565 46.597 45.100 -0.113 0.000 0.791 470 G HN 1.101 nan 8.290 nan 0.000 0.606 471 S N 0.027 115.233 115.700 -0.823 0.000 2.520 471 S HA -0.071 4.399 4.470 0.000 0.000 0.249 471 S C 2.118 176.669 174.600 -0.080 0.000 0.983 471 S CA 1.026 58.656 58.200 -0.949 0.000 0.958 471 S CB -0.283 62.409 63.200 -0.847 0.000 0.750 471 S HN 0.236 nan 8.310 nan 0.000 0.527 472 I N 1.634 122.203 120.570 -0.002 0.000 2.852 472 I HA 0.068 4.238 4.170 0.000 0.000 0.264 472 I C 1.446 177.692 176.117 0.215 0.000 1.179 472 I CA 0.699 62.079 61.300 0.134 0.000 1.480 472 I CB -1.758 36.347 38.000 0.174 0.000 1.111 472 I HN 0.454 nan 8.210 nan 0.000 0.441 473 T N -0.403 114.275 114.554 0.206 0.000 2.913 473 T HA 0.284 4.634 4.350 0.000 0.000 0.287 473 T C -1.312 173.583 174.700 0.326 0.000 1.008 473 T CA -1.574 60.663 62.100 0.228 0.000 1.067 473 T CB 1.985 70.936 68.868 0.140 0.000 0.996 473 T HN -0.042 nan 8.240 nan 0.000 0.513 474 P HA -0.065 nan 4.420 nan 0.000 0.219 474 P C 1.803 179.328 177.300 0.375 0.000 1.150 474 P CA 1.013 64.309 63.100 0.327 0.000 0.814 474 P CB -0.329 31.504 31.700 0.221 0.000 0.787 475 V N -3.710 116.372 119.914 0.279 0.000 2.867 475 V HA -0.179 3.941 4.120 0.000 0.000 0.260 475 V C 2.290 178.462 176.094 0.130 0.000 1.099 475 V CA 1.199 63.619 62.300 0.200 0.000 1.122 475 V CB -2.216 29.631 31.823 0.040 0.000 0.708 475 V HN -0.108 nan 8.190 nan 0.000 0.490 476 F N 2.411 122.397 119.950 0.061 0.000 2.234 476 F HA -0.024 4.503 4.527 0.000 0.000 0.299 476 F C 1.915 177.895 175.800 0.301 0.000 1.087 476 F CA 1.900 59.925 58.000 0.043 0.000 1.340 476 F CB -0.230 38.715 39.000 -0.090 0.000 1.031 476 F HN 0.355 nan 8.300 nan 0.000 0.500 477 H N -0.948 118.405 119.070 0.473 0.000 2.537 477 H HA 0.254 4.810 4.556 0.000 0.000 0.295 477 H C -0.170 175.376 175.328 0.364 0.000 1.054 477 H CA -0.113 56.184 56.048 0.416 0.000 1.156 477 H CB -0.256 29.771 29.762 0.441 0.000 1.468 477 H HN 0.133 nan 8.280 nan 0.000 0.551 478 Q N 1.931 122.007 119.800 0.461 0.000 2.347 478 Q HA 0.189 4.529 4.340 0.000 0.000 0.262 478 Q C -0.683 175.560 176.000 0.405 0.000 0.980 478 Q CA -0.487 55.536 55.803 0.366 0.000 0.867 478 Q CB 0.658 29.608 28.738 0.353 0.000 1.242 478 Q HN 0.370 nan 8.270 nan 0.000 0.453 479 E N 4.432 124.789 120.200 0.263 0.000 2.354 479 E HA 0.411 4.761 4.350 0.000 0.000 0.269 479 E C -0.235 176.513 176.600 0.247 0.000 1.036 479 E CA 0.065 56.595 56.400 0.217 0.000 0.876 479 E CB 0.761 30.540 29.700 0.131 0.000 1.009 479 E HN 0.684 nan 8.360 nan 0.000 0.416 480 M N 0.804 120.556 119.600 0.253 0.000 2.721 480 M HA 0.508 4.988 4.480 0.000 0.000 0.271 480 M C -1.457 174.969 176.300 0.210 0.000 1.259 480 M CA -1.009 54.454 55.300 0.271 0.000 0.835 480 M CB 1.397 34.200 32.600 0.339 0.000 1.689 480 M HN 0.216 nan 8.290 nan 0.000 0.470 481 L N 1.657 123.014 121.223 0.224 0.000 2.341 481 L HA 0.565 4.905 4.340 0.000 0.000 0.278 481 L C -1.027 175.909 176.870 0.110 0.000 1.005 481 L CA -0.695 54.273 54.840 0.214 0.000 0.818 481 L CB 1.883 44.147 42.059 0.340 0.000 1.259 481 L HN 0.762 nan 8.230 nan 0.000 0.418 482 N N 2.907 121.673 118.700 0.111 0.000 2.446 482 N HA 0.506 5.246 4.740 0.000 0.000 0.265 482 N C -1.541 174.014 175.510 0.075 0.000 0.975 482 N CA -0.292 52.751 53.050 -0.011 0.000 0.928 482 N CB 0.700 39.210 38.487 0.037 0.000 1.160 482 N HN 0.409 nan 8.380 nan 0.000 0.495 483 Y N 0.166 120.484 120.300 0.030 0.000 2.571 483 Y HA 0.619 5.170 4.550 0.000 0.000 0.341 483 Y C -1.169 174.695 175.900 -0.060 0.000 1.076 483 Y CA -1.429 56.666 58.100 -0.009 0.000 1.029 483 Y CB 0.665 39.133 38.460 0.014 0.000 1.308 483 Y HN -0.001 nan 8.280 nan 0.000 0.461 484 V N 4.384 124.290 119.914 -0.013 0.000 2.406 484 V HA 0.358 4.478 4.120 0.000 0.000 0.272 484 V C 0.151 176.085 176.094 -0.266 0.000 1.043 484 V CA -0.321 61.742 62.300 -0.396 0.000 0.915 484 V CB 0.527 31.932 31.823 -0.697 0.000 0.988 484 V HN 0.772 nan 8.190 nan 0.000 0.466 485 L N 3.037 124.127 121.223 -0.222 0.000 2.693 485 L HA 0.762 5.102 4.340 0.000 0.000 0.253 485 L C 0.224 177.056 176.870 -0.063 0.000 1.155 485 L CA -0.492 54.320 54.840 -0.048 0.000 1.026 485 L CB 1.829 43.931 42.059 0.072 0.000 1.817 485 L HN 0.639 nan 8.230 nan 0.000 0.556 486 S N -0.723 115.000 115.700 0.037 0.000 2.543 486 S HA 0.542 5.012 4.470 0.000 0.000 0.271 486 S C -2.717 171.928 174.600 0.075 0.000 1.148 486 S CA -1.132 57.112 58.200 0.073 0.000 0.914 486 S CB 1.898 65.151 63.200 0.088 0.000 1.096 486 S HN 0.135 nan 8.310 nan 0.000 0.471 487 P HA 0.415 nan 4.420 nan 0.000 0.272 487 P C -1.208 176.088 177.300 -0.006 0.000 1.248 487 P CA -0.059 62.996 63.100 -0.075 0.000 0.799 487 P CB 0.210 31.759 31.700 -0.252 0.000 0.997 488 F N -0.862 118.902 119.950 -0.310 0.000 2.688 488 F HA 0.354 4.881 4.527 0.000 0.000 0.308 488 F C -1.637 173.930 175.800 -0.388 0.000 1.117 488 F CA -0.663 57.107 58.000 -0.384 0.000 0.976 488 F CB 1.009 39.809 39.000 -0.333 0.000 1.291 488 F HN 0.137 nan 8.300 nan 0.000 0.439 489 Y N 5.059 124.969 120.300 -0.650 0.000 2.454 489 Y HA 0.420 4.970 4.550 0.000 0.000 0.345 489 Y C -0.653 174.989 175.900 -0.430 0.000 0.970 489 Y CA -0.650 57.224 58.100 -0.376 0.000 1.204 489 Y CB 0.072 38.290 38.460 -0.403 0.000 1.122 489 Y HN 0.377 nan 8.280 nan 0.000 0.514 490 Y N 0.986 121.316 120.300 0.050 0.000 2.408 490 Y HA 0.363 4.913 4.550 0.000 0.000 0.324 490 Y C -0.217 175.658 175.900 -0.043 0.000 1.302 490 Y CA -0.888 57.237 58.100 0.041 0.000 1.384 490 Y CB 0.654 39.209 38.460 0.158 0.000 1.367 490 Y HN 0.375 nan 8.280 nan 0.000 0.525 491 Y N 0.272 120.741 120.300 0.282 0.000 2.432 491 Y HA 0.417 4.967 4.550 0.000 0.000 0.322 491 Y C -0.042 175.927 175.900 0.115 0.000 1.246 491 Y CA -1.099 57.086 58.100 0.143 0.000 1.268 491 Y CB 0.923 39.438 38.460 0.093 0.000 1.276 491 Y HN 0.400 nan 8.280 nan 0.000 0.499 492 Q N -0.068 119.872 119.800 0.233 0.000 2.484 492 Q HA 0.550 4.890 4.340 0.000 0.000 0.285 492 Q C -1.473 174.505 176.000 -0.036 0.000 1.097 492 Q CA -1.294 54.553 55.803 0.073 0.000 0.802 492 Q CB 2.822 31.577 28.738 0.028 0.000 1.444 492 Q HN 0.335 nan 8.270 nan 0.000 0.429 493 V N 2.195 122.044 119.914 -0.109 0.000 2.555 493 V HA 0.001 4.121 4.120 0.000 0.000 0.286 493 V C 0.255 176.117 176.094 -0.386 0.000 1.044 493 V CA -0.251 61.926 62.300 -0.206 0.000 1.026 493 V CB 0.698 32.415 31.823 -0.177 0.000 0.981 493 V HN 0.623 nan 8.190 nan 0.000 0.480 494 E N 3.763 123.628 120.200 -0.557 0.000 2.729 494 E HA -0.096 4.254 4.350 0.000 0.000 0.246 494 E C 1.393 177.287 176.600 -1.177 0.000 0.984 494 E CA 0.580 56.340 56.400 -1.067 0.000 0.951 494 E CB 0.376 29.128 29.700 -1.579 0.000 0.914 494 E HN 0.800 nan 8.360 nan 0.000 0.509 495 A N 5.118 127.277 122.820 -1.102 0.000 1.896 495 A HA -0.244 4.076 4.320 0.000 0.000 0.220 495 A C 1.811 178.757 177.584 -1.064 0.000 1.206 495 A CA 2.264 53.612 52.037 -1.148 0.000 0.647 495 A CB -1.180 16.684 19.000 -1.894 0.000 0.828 495 A HN 0.912 nan 8.150 nan 0.000 0.455 496 W N 0.093 120.815 121.300 -0.963 0.000 2.424 496 W HA -0.061 4.599 4.660 0.000 0.000 0.264 496 W C 1.439 177.916 176.519 -0.071 0.000 1.229 496 W CA 1.109 58.219 57.345 -0.392 0.000 1.208 496 W CB -0.259 29.187 29.460 -0.023 0.000 1.127 496 W HN 0.237 nan 8.180 nan 0.000 0.588 497 K N 0.224 120.415 120.400 -0.350 0.000 2.186 497 K HA -0.008 4.312 4.320 0.000 0.000 0.202 497 K C 1.976 178.535 176.600 -0.069 0.000 1.052 497 K CA 1.796 58.011 56.287 -0.120 0.000 0.965 497 K CB -0.358 32.001 32.500 -0.235 0.000 0.746 497 K HN 0.361 nan 8.250 nan 0.000 0.457 498 T N -2.722 111.742 114.554 -0.150 0.000 2.990 498 T HA -0.002 4.348 4.350 0.000 0.000 0.250 498 T C 0.554 175.219 174.700 -0.057 0.000 1.041 498 T CA -0.244 61.799 62.100 -0.095 0.000 1.010 498 T CB -0.286 68.504 68.868 -0.131 0.000 1.003 498 T HN 0.098 nan 8.240 nan 0.000 0.499 499 H N 2.740 121.709 119.070 -0.168 0.000 3.004 499 H HA 0.364 4.920 4.556 0.000 0.000 0.316 499 H C -0.247 175.017 175.328 -0.107 0.000 1.014 499 H CA -0.368 55.575 56.048 -0.176 0.000 1.454 499 H CB 0.344 29.958 29.762 -0.248 0.000 1.472 499 H HN 0.152 nan 8.280 nan 0.000 0.571 500 V N 5.159 124.679 119.914 -0.658 0.000 2.353 500 V HA 0.123 4.243 4.120 0.000 0.000 0.264 500 V C -0.062 175.645 176.094 -0.645 0.000 1.049 500 V CA -1.083 60.973 62.300 -0.405 0.000 0.896 500 V CB -0.808 30.883 31.823 -0.220 0.000 1.025 500 V HN 0.644 nan 8.190 nan 0.000 0.475 501 W N 3.139 124.257 121.300 -0.302 0.000 2.158 501 W HA 0.321 4.981 4.660 0.000 0.000 0.339 501 W C 1.445 177.933 176.519 -0.052 0.000 1.294 501 W CA 0.049 57.344 57.345 -0.084 0.000 1.231 501 W CB 0.498 30.013 29.460 0.092 0.000 1.143 501 W HN 0.562 nan 8.180 nan 0.000 0.571 502 Q N 1.424 121.377 119.800 0.255 0.000 2.304 502 Q HA 0.063 4.403 4.340 0.000 0.000 0.204 502 Q C 1.011 177.101 176.000 0.150 0.000 0.936 502 Q CA 1.010 56.898 55.803 0.141 0.000 0.878 502 Q CB -0.068 28.724 28.738 0.089 0.000 0.983 502 Q HN 0.688 nan 8.270 nan 0.000 0.516 503 D N 0.000 120.522 120.400 0.204 0.000 6.856 503 D HA 0.000 4.640 4.640 0.000 0.000 0.175 503 D CA 0.000 54.075 54.000 0.125 0.000 0.868 503 D CB 0.000 40.867 40.800 0.112 0.000 0.688 503 D HN 0.000 nan 8.370 nan 0.000 0.683