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 2nm1_1_A DATA FIRST_RESID 858 DATA SEQUENCE SEILNNIILN LRYKDNNLID LSGYGAKVEV YDGVELNDKN QFKLTSSANS DATA SEQUENCE KIRVTQNQNI IFNSVFLDFS VSFWIRIPKY KNDGIQNYIH NEYTIINCMK DATA SEQUENCE NNSGWKISIR GNRIIWTLID INGKTKSVFF EYNIREDISE YINRWFFVTI DATA SEQUENCE TNNLNNAKIY INGKLESNTD IKDIREVIAN GEIIFKLDGD IDRTQFIWMK DATA SEQUENCE YFSIFNTELS QSNIEERYKI QSYSEYLKDF WGNPLMYNKE YYMFNAGNKN DATA SEQUENCE SYIKLKKDSP VGEILTRSKY NQNSKYINYR DLYIGEKFII RRKSXXXXXX DATA SEQUENCE DDIVRKEDYI YLDFFNLNQE WRVYTYKYFK KEEEKLFLAP ISDSDEFYNT DATA SEQUENCE IQIKEYDEQP TYSCQLLFKK DEESTDEIGL IGIHRFYESG IVFEEYKDYF DATA SEQUENCE CISKWYLKEV KRKPYNLKLG CNWQFIPKDE GWTEPP 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 858 S HA 0.000 nan 4.470 nan 0.000 0.327 858 S C 0.000 174.613 174.600 0.022 0.000 1.055 858 S CA 0.000 58.205 58.200 0.008 0.000 1.107 858 S CB 0.000 63.204 63.200 0.006 0.000 0.593 859 E N 2.461 122.668 120.200 0.012 0.000 2.070 859 E HA -0.181 4.301 4.350 0.219 0.000 0.197 859 E C 1.507 178.127 176.600 0.034 0.000 1.004 859 E CA 1.911 58.318 56.400 0.013 0.000 0.805 859 E CB -0.176 29.520 29.700 -0.007 0.000 0.744 859 E HN 0.786 nan 8.360 nan 0.000 0.451 860 I N -1.188 119.409 120.570 0.044 0.000 3.684 860 I HA 0.038 4.339 4.170 0.219 0.000 0.308 860 I C 0.442 176.681 176.117 0.202 0.000 1.263 860 I CA 0.022 61.381 61.300 0.097 0.000 1.174 860 I CB 0.318 38.364 38.000 0.076 0.000 1.021 860 I HN 0.050 nan 8.210 nan 0.000 0.451 861 L N 0.624 121.940 121.223 0.156 0.000 3.135 861 L HA 0.371 4.843 4.340 0.219 0.000 0.279 861 L C -0.023 176.935 176.870 0.147 0.000 1.200 861 L CA 0.144 55.070 54.840 0.143 0.000 1.016 861 L CB -0.821 41.276 42.059 0.063 0.000 1.391 861 L HN 0.300 nan 8.230 nan 0.000 0.588 862 N N 1.943 120.747 118.700 0.173 0.000 2.514 862 N HA 0.150 5.022 4.740 0.219 0.000 0.277 862 N C 0.540 176.193 175.510 0.238 0.000 1.126 862 N CA -0.006 53.134 53.050 0.149 0.000 0.978 862 N CB 0.713 39.258 38.487 0.097 0.000 1.106 862 N HN 0.077 nan 8.380 nan 0.000 0.461 863 N N -0.472 118.335 118.700 0.179 0.000 2.753 863 N HA -0.235 4.636 4.740 0.219 0.000 0.251 863 N C -0.121 175.500 175.510 0.184 0.000 1.097 863 N CA 0.466 53.629 53.050 0.187 0.000 0.786 863 N CB -1.295 37.318 38.487 0.210 0.000 1.137 863 N HN 0.633 nan 8.380 nan 0.000 0.566 864 I N 1.738 122.368 120.570 0.099 0.000 2.496 864 I HA 0.047 4.349 4.170 0.219 0.000 0.285 864 I C 1.698 177.817 176.117 0.003 0.000 1.080 864 I CA -0.106 61.065 61.300 -0.215 0.000 1.404 864 I CB 0.440 38.279 38.000 -0.269 0.000 1.403 864 I HN 0.161 nan 8.210 nan 0.000 0.539 865 I N 5.388 125.923 120.570 -0.059 0.000 4.227 865 I HA 0.389 4.690 4.170 0.219 0.000 0.334 865 I C -0.746 175.452 176.117 0.134 0.000 1.341 865 I CA -0.163 61.159 61.300 0.037 0.000 1.123 865 I CB 0.794 38.707 38.000 -0.145 0.000 1.097 865 I HN 0.405 nan 8.210 nan 0.000 0.399 866 L N 1.618 122.887 121.223 0.076 0.000 2.543 866 L HA 0.493 4.965 4.340 0.219 0.000 0.265 866 L C -1.724 175.202 176.870 0.093 0.000 0.945 866 L CA -0.180 54.760 54.840 0.166 0.000 0.869 866 L CB 1.960 44.199 42.059 0.299 0.000 1.294 866 L HN 0.214 nan 8.230 nan 0.000 0.405 867 N N 5.758 124.540 118.700 0.138 0.000 2.690 867 N HA 0.383 5.255 4.740 0.219 0.000 0.255 867 N C -1.537 174.094 175.510 0.201 0.000 1.195 867 N CA -0.470 52.657 53.050 0.130 0.000 0.790 867 N CB 0.889 39.405 38.487 0.049 0.000 1.216 867 N HN 0.574 nan 8.380 nan 0.000 0.528 868 L N 3.357 124.765 121.223 0.308 0.000 2.361 868 L HA 0.426 4.897 4.340 0.219 0.000 0.278 868 L C 0.380 177.434 176.870 0.306 0.000 1.113 868 L CA -0.181 54.824 54.840 0.276 0.000 0.849 868 L CB 0.320 42.549 42.059 0.284 0.000 1.155 868 L HN 0.295 nan 8.230 nan 0.000 0.452 869 R N 2.321 122.958 120.500 0.228 0.000 2.795 869 R HA 0.314 4.785 4.340 0.219 0.000 0.275 869 R C -1.018 175.422 176.300 0.235 0.000 0.981 869 R CA -1.073 55.192 56.100 0.274 0.000 0.917 869 R CB 1.951 32.380 30.300 0.215 0.000 1.202 869 R HN 0.365 nan 8.270 nan 0.000 0.469 870 Y N 1.584 121.982 120.300 0.164 0.000 2.411 870 Y HA 0.212 4.894 4.550 0.221 0.000 0.333 870 Y C -0.122 175.827 175.900 0.081 0.000 1.186 870 Y CA 0.772 58.940 58.100 0.113 0.000 1.381 870 Y CB 0.671 39.204 38.460 0.121 0.000 1.273 870 Y HN 0.452 nan 8.280 nan 0.000 0.546 871 K N 5.001 125.003 120.400 -0.663 0.000 2.582 871 K HA 0.118 4.569 4.320 0.219 0.000 0.259 871 K C -1.739 174.503 176.600 -0.597 0.000 0.973 871 K CA -0.513 55.496 56.287 -0.463 0.000 0.880 871 K CB 0.711 33.115 32.500 -0.160 0.000 1.310 871 K HN 0.843 nan 8.250 nan 0.000 0.443 872 D N 3.989 124.106 120.400 -0.471 0.000 2.803 872 D HA -0.249 4.522 4.640 0.219 0.000 0.233 872 D C -0.259 175.861 176.300 -0.300 0.000 1.182 872 D CA 1.523 55.364 54.000 -0.265 0.000 0.726 872 D CB -0.998 39.715 40.800 -0.147 0.000 0.987 872 D HN 1.008 nan 8.370 nan 0.000 0.412 873 N N 0.023 118.497 118.700 -0.376 0.000 2.716 873 N HA -0.299 4.573 4.740 0.219 0.000 0.250 873 N C -0.644 174.764 175.510 -0.169 0.000 1.033 873 N CA 1.199 54.196 53.050 -0.088 0.000 0.727 873 N CB -0.692 37.821 38.487 0.043 0.000 0.950 873 N HN 0.703 nan 8.380 nan 0.000 0.541 874 N N -0.700 117.769 118.700 -0.385 0.000 2.927 874 N HA 0.501 5.372 4.740 0.219 0.000 0.248 874 N C -1.714 173.673 175.510 -0.205 0.000 1.443 874 N CA -0.713 52.209 53.050 -0.213 0.000 0.870 874 N CB 1.209 39.587 38.487 -0.182 0.000 1.444 874 N HN 0.018 nan 8.380 nan 0.000 0.519 875 L N 2.261 123.409 121.223 -0.125 0.000 2.329 875 L HA 0.657 5.128 4.340 0.219 0.000 0.279 875 L C -0.791 176.036 176.870 -0.071 0.000 1.014 875 L CA -0.691 54.099 54.840 -0.085 0.000 0.814 875 L CB 1.749 43.711 42.059 -0.162 0.000 1.257 875 L HN 0.512 nan 8.230 nan 0.000 0.424 876 I N 1.595 122.153 120.570 -0.020 0.000 2.769 876 I HA 0.307 4.609 4.170 0.219 0.000 0.298 876 I C -1.249 174.898 176.117 0.050 0.000 1.128 876 I CA -0.564 60.736 61.300 -0.001 0.000 1.031 876 I CB 2.719 40.707 38.000 -0.019 0.000 1.235 876 I HN 0.539 nan 8.210 nan 0.000 0.423 877 D N 6.585 127.022 120.400 0.063 0.000 2.325 877 D HA 0.240 5.011 4.640 0.219 0.000 0.251 877 D C 0.001 176.344 176.300 0.071 0.000 1.196 877 D CA 0.160 54.219 54.000 0.099 0.000 0.866 877 D CB 0.859 41.734 40.800 0.125 0.000 1.101 877 D HN 0.510 nan 8.370 nan 0.000 0.476 878 L N 3.169 124.434 121.223 0.071 0.000 2.818 878 L HA 0.073 4.545 4.340 0.219 0.000 0.243 878 L C 1.960 178.837 176.870 0.011 0.000 1.185 878 L CA -0.094 54.766 54.840 0.034 0.000 0.988 878 L CB -0.104 41.977 42.059 0.038 0.000 1.292 878 L HN 0.434 nan 8.230 nan 0.000 0.519 879 S N -0.495 115.228 115.700 0.037 0.000 2.419 879 S HA -0.077 4.525 4.470 0.219 0.000 0.233 879 S C 1.674 176.183 174.600 -0.152 0.000 1.016 879 S CA 1.030 59.244 58.200 0.023 0.000 0.974 879 S CB -0.048 63.268 63.200 0.193 0.000 0.786 879 S HN 0.565 nan 8.310 nan 0.000 0.492 880 G N -0.408 108.288 108.800 -0.173 0.000 2.179 880 G HA2 -0.237 3.854 3.960 0.219 0.000 0.220 880 G HA3 -0.237 3.854 3.960 0.219 0.000 0.220 880 G C 0.313 174.935 174.900 -0.463 0.000 0.990 880 G CA 0.229 45.132 45.100 -0.328 0.000 0.646 880 G HN 0.598 nan 8.290 nan 0.000 0.517 881 Y N 0.377 120.684 120.300 0.012 0.000 2.467 881 Y HA 0.407 5.089 4.550 0.219 0.000 0.250 881 Y C 2.056 177.972 175.900 0.026 0.000 1.155 881 Y CA 0.416 58.525 58.100 0.016 0.000 1.249 881 Y CB 0.926 39.396 38.460 0.016 0.000 1.146 881 Y HN 0.882 nan 8.280 nan 0.000 0.524 882 G N 1.402 110.271 108.800 0.115 0.000 2.273 882 G HA2 -0.220 3.871 3.960 0.219 0.000 0.280 882 G HA3 -0.220 3.871 3.960 0.219 0.000 0.280 882 G C 0.300 175.260 174.900 0.099 0.000 1.047 882 G CA 0.042 45.193 45.100 0.085 0.000 0.869 882 G HN 0.602 nan 8.290 nan 0.000 0.502 883 A N -0.420 122.476 122.820 0.128 0.000 2.483 883 A HA 0.555 5.006 4.320 0.219 0.000 0.238 883 A C 0.820 178.457 177.584 0.088 0.000 1.070 883 A CA 0.750 52.860 52.037 0.123 0.000 0.770 883 A CB 0.414 19.510 19.000 0.161 0.000 1.008 883 A HN 0.723 nan 8.150 nan 0.000 0.497 884 K N 1.486 121.932 120.400 0.076 0.000 2.234 884 K HA 0.506 4.958 4.320 0.219 0.000 0.282 884 K C -1.376 175.254 176.600 0.050 0.000 1.039 884 K CA -0.280 56.035 56.287 0.048 0.000 0.928 884 K CB 0.726 33.249 32.500 0.038 0.000 1.039 884 K HN 0.402 nan 8.250 nan 0.000 0.470 885 V N 4.426 124.352 119.914 0.019 0.000 2.483 885 V HA 0.243 4.494 4.120 0.219 0.000 0.297 885 V C -1.024 175.043 176.094 -0.046 0.000 1.027 885 V CA -0.771 61.529 62.300 0.000 0.000 0.855 885 V CB 1.657 33.467 31.823 -0.021 0.000 0.995 885 V HN 0.829 nan 8.190 nan 0.000 0.424 886 E N 3.662 123.837 120.200 -0.042 0.000 2.141 886 E HA 0.470 4.952 4.350 0.219 0.000 0.259 886 E C -1.163 175.355 176.600 -0.136 0.000 0.883 886 E CA -0.474 55.844 56.400 -0.136 0.000 0.744 886 E CB 2.236 31.850 29.700 -0.144 0.000 1.150 886 E HN 0.455 nan 8.360 nan 0.000 0.420 887 V N 4.288 124.092 119.914 -0.183 0.000 2.383 887 V HA 0.197 4.449 4.120 0.219 0.000 0.275 887 V C -0.443 175.560 176.094 -0.151 0.000 1.036 887 V CA -0.623 61.612 62.300 -0.108 0.000 0.889 887 V CB -0.286 31.462 31.823 -0.126 0.000 0.985 887 V HN 0.550 nan 8.190 nan 0.000 0.459 888 Y N 2.038 122.311 120.300 -0.044 0.000 2.300 888 Y HA 0.216 4.898 4.550 0.219 0.000 0.328 888 Y C 1.518 177.406 175.900 -0.021 0.000 1.270 888 Y CA -0.589 57.496 58.100 -0.026 0.000 1.352 888 Y CB 0.461 38.911 38.460 -0.017 0.000 1.286 888 Y HN 0.602 nan 8.280 nan 0.000 0.536 889 D N 1.006 121.481 120.400 0.126 0.000 2.315 889 D HA -0.111 4.660 4.640 0.219 0.000 0.211 889 D C 1.887 178.224 176.300 0.062 0.000 0.977 889 D CA 1.385 55.425 54.000 0.068 0.000 0.894 889 D CB -0.325 40.506 40.800 0.053 0.000 0.910 889 D HN 0.847 nan 8.370 nan 0.000 0.490 890 G N -0.315 108.532 108.800 0.078 0.000 2.985 890 G HA2 0.101 4.192 3.960 0.219 0.000 0.209 890 G HA3 0.101 4.192 3.960 0.219 0.000 0.209 890 G C 0.395 175.311 174.900 0.026 0.000 1.165 890 G CA -0.160 44.964 45.100 0.039 0.000 0.776 890 G HN 0.123 nan 8.290 nan 0.000 0.541 891 V N 0.995 120.936 119.914 0.044 0.000 2.364 891 V HA 0.246 4.498 4.120 0.219 0.000 0.272 891 V C -0.002 176.117 176.094 0.043 0.000 1.036 891 V CA -0.936 61.386 62.300 0.038 0.000 0.880 891 V CB 1.566 33.412 31.823 0.038 0.000 0.991 891 V HN 0.314 nan 8.190 nan 0.000 0.460 892 E N 5.070 125.277 120.200 0.011 0.000 2.259 892 E HA 0.535 5.016 4.350 0.219 0.000 0.281 892 E C -1.306 175.408 176.600 0.190 0.000 1.027 892 E CA -0.395 56.041 56.400 0.061 0.000 0.838 892 E CB 0.907 30.605 29.700 -0.003 0.000 1.066 892 E HN 0.568 nan 8.360 nan 0.000 0.401 893 L N 4.059 125.422 121.223 0.234 0.000 2.381 893 L HA 0.484 4.956 4.340 0.219 0.000 0.268 893 L C -0.536 176.482 176.870 0.247 0.000 0.997 893 L CA -1.133 53.897 54.840 0.317 0.000 0.818 893 L CB 1.849 44.109 42.059 0.334 0.000 1.310 893 L HN 0.615 nan 8.230 nan 0.000 0.416 894 N N -1.377 117.406 118.700 0.138 0.000 2.509 894 N HA 0.264 5.136 4.740 0.219 0.000 0.280 894 N C -0.315 174.835 175.510 -0.599 0.000 1.306 894 N CA -0.899 52.086 53.050 -0.109 0.000 0.782 894 N CB 0.842 39.300 38.487 -0.047 0.000 1.493 894 N HN 0.536 nan 8.380 nan 0.000 0.498 895 D N -0.931 119.018 120.400 -0.752 0.000 2.371 895 D HA -0.066 4.705 4.640 0.219 0.000 0.234 895 D C 0.033 176.050 176.300 -0.473 0.000 1.049 895 D CA 0.677 54.078 54.000 -0.999 0.000 0.907 895 D CB -0.134 40.362 40.800 -0.506 0.000 0.891 895 D HN 0.629 nan 8.370 nan 0.000 0.531 896 K N 0.082 120.272 120.400 -0.349 0.000 2.446 896 K HA 0.143 4.595 4.320 0.219 0.000 0.203 896 K C 0.104 176.546 176.600 -0.262 0.000 1.027 896 K CA -0.288 55.841 56.287 -0.263 0.000 1.166 896 K CB 0.005 32.334 32.500 -0.285 0.000 0.869 896 K HN -0.065 nan 8.250 nan 0.000 0.504 897 N N 1.714 120.305 118.700 -0.182 0.000 2.753 897 N HA -0.193 4.679 4.740 0.219 0.000 0.251 897 N C -1.008 174.520 175.510 0.030 0.000 1.097 897 N CA 1.026 54.072 53.050 -0.007 0.000 0.786 897 N CB -0.665 37.791 38.487 -0.052 0.000 1.137 897 N HN 0.467 nan 8.380 nan 0.000 0.566 898 Q N 0.059 119.890 119.800 0.051 0.000 2.230 898 Q HA 0.598 5.069 4.340 0.219 0.000 0.253 898 Q C -0.185 176.167 176.000 0.586 0.000 0.919 898 Q CA -0.460 55.493 55.803 0.251 0.000 0.908 898 Q CB 0.891 29.740 28.738 0.186 0.000 1.245 898 Q HN 0.312 nan 8.270 nan 0.000 0.437 899 F N -1.269 119.026 119.950 0.576 0.000 2.588 899 F HA 0.644 5.303 4.527 0.220 0.000 0.310 899 F C -0.983 174.909 175.800 0.153 0.000 1.082 899 F CA -1.230 56.981 58.000 0.352 0.000 0.929 899 F CB 1.483 40.588 39.000 0.174 0.000 1.254 899 F HN 0.217 nan 8.300 nan 0.000 0.455 900 K N 4.119 124.449 120.400 -0.118 0.000 2.274 900 K HA 0.635 5.087 4.320 0.219 0.000 0.262 900 K C -1.769 174.720 176.600 -0.186 0.000 0.961 900 K CA -0.642 55.256 56.287 -0.648 0.000 0.833 900 K CB 1.444 33.000 32.500 -1.573 0.000 1.102 900 K HN 0.917 nan 8.250 nan 0.000 0.436 901 L N 4.194 125.373 121.223 -0.072 0.000 2.296 901 L HA 0.370 4.842 4.340 0.219 0.000 0.286 901 L C 0.578 177.454 176.870 0.010 0.000 1.023 901 L CA -0.605 54.261 54.840 0.042 0.000 0.812 901 L CB 1.629 43.777 42.059 0.148 0.000 1.223 901 L HN 0.828 nan 8.230 nan 0.000 0.421 902 T N -2.161 112.392 114.554 -0.002 0.000 2.844 902 T HA 0.238 4.720 4.350 0.219 0.000 0.274 902 T C 1.008 175.711 174.700 0.006 0.000 0.991 902 T CA -0.016 62.092 62.100 0.012 0.000 0.983 902 T CB 1.411 70.263 68.868 -0.027 0.000 1.310 902 T HN 0.506 nan 8.240 nan 0.000 0.596 903 S N -0.612 115.085 115.700 -0.004 0.000 2.593 903 S HA 0.181 4.783 4.470 0.219 0.000 0.217 903 S C 0.739 175.327 174.600 -0.021 0.000 0.966 903 S CA -0.580 57.606 58.200 -0.023 0.000 0.914 903 S CB -0.609 62.571 63.200 -0.034 0.000 0.776 903 S HN 0.600 nan 8.310 nan 0.000 0.523 904 S N 1.705 117.395 115.700 -0.017 0.000 2.572 904 S HA 0.521 5.123 4.470 0.219 0.000 0.279 904 S C 1.523 176.108 174.600 -0.026 0.000 1.341 904 S CA -0.024 58.165 58.200 -0.019 0.000 1.043 904 S CB 0.976 64.168 63.200 -0.014 0.000 0.887 904 S HN 0.589 nan 8.310 nan 0.000 0.516 905 A N 2.668 125.469 122.820 -0.032 0.000 1.972 905 A HA -0.149 4.303 4.320 0.219 0.000 0.219 905 A C 1.728 179.266 177.584 -0.077 0.000 1.169 905 A CA 1.589 53.594 52.037 -0.052 0.000 0.635 905 A CB -0.553 18.418 19.000 -0.048 0.000 0.810 905 A HN 0.866 nan 8.150 nan 0.000 0.446 906 N N -0.640 118.032 118.700 -0.047 0.000 2.314 906 N HA 0.045 4.917 4.740 0.219 0.000 0.200 906 N C 0.078 175.591 175.510 0.005 0.000 1.135 906 N CA 0.671 53.698 53.050 -0.039 0.000 0.835 906 N CB -0.289 38.218 38.487 0.032 0.000 0.989 906 N HN 0.112 nan 8.380 nan 0.000 0.478 907 S N 0.612 116.306 115.700 -0.009 0.000 3.729 907 S HA 0.252 4.853 4.470 0.219 0.000 0.235 907 S C -0.517 174.098 174.600 0.025 0.000 1.367 907 S CA -0.705 57.506 58.200 0.019 0.000 0.907 907 S CB -0.592 62.612 63.200 0.007 0.000 1.471 907 S HN 0.530 nan 8.310 nan 0.000 0.476 908 K N 2.104 122.531 120.400 0.045 0.000 2.579 908 K HA 0.622 5.074 4.320 0.219 0.000 0.284 908 K C -1.577 175.119 176.600 0.159 0.000 0.990 908 K CA -1.014 55.305 56.287 0.054 0.000 0.880 908 K CB 1.059 33.506 32.500 -0.088 0.000 1.488 908 K HN 0.278 nan 8.250 nan 0.000 0.425 909 I N 0.879 121.547 120.570 0.163 0.000 2.582 909 I HA 0.438 4.739 4.170 0.219 0.000 0.292 909 I C -0.859 175.402 176.117 0.240 0.000 1.066 909 I CA -0.886 60.499 61.300 0.142 0.000 1.053 909 I CB 2.328 40.221 38.000 -0.178 0.000 1.241 909 I HN 0.571 nan 8.210 nan 0.000 0.421 910 R N 5.328 125.969 120.500 0.235 0.000 2.393 910 R HA 0.730 5.201 4.340 0.219 0.000 0.315 910 R C -1.850 174.545 176.300 0.158 0.000 0.952 910 R CA -0.482 55.741 56.100 0.204 0.000 0.842 910 R CB 1.827 32.267 30.300 0.233 0.000 1.163 910 R HN 0.461 nan 8.270 nan 0.000 0.450 911 V N 3.807 123.827 119.914 0.177 0.000 2.409 911 V HA 0.316 4.568 4.120 0.219 0.000 0.291 911 V C -0.115 176.059 176.094 0.134 0.000 1.020 911 V CA -0.698 61.704 62.300 0.171 0.000 0.848 911 V CB 1.870 33.859 31.823 0.276 0.000 0.990 911 V HN 0.910 nan 8.190 nan 0.000 0.430 912 T N 2.239 116.860 114.554 0.110 0.000 2.770 912 T HA 0.551 5.033 4.350 0.219 0.000 0.297 912 T C -0.322 174.445 174.700 0.112 0.000 0.997 912 T CA -0.718 61.437 62.100 0.091 0.000 0.949 912 T CB 0.865 69.773 68.868 0.067 0.000 0.941 912 T HN 0.622 nan 8.240 nan 0.000 0.457 913 Q N 2.606 122.481 119.800 0.125 0.000 2.354 913 Q HA 0.200 4.672 4.340 0.219 0.000 0.244 913 Q C 0.359 176.431 176.000 0.119 0.000 0.969 913 Q CA -0.832 55.061 55.803 0.150 0.000 0.885 913 Q CB 0.619 29.473 28.738 0.192 0.000 1.241 913 Q HN 0.655 nan 8.270 nan 0.000 0.461 914 N N 2.034 120.804 118.700 0.117 0.000 2.427 914 N HA -0.083 4.788 4.740 0.219 0.000 0.269 914 N C 0.374 175.929 175.510 0.075 0.000 1.235 914 N CA 0.345 53.450 53.050 0.091 0.000 0.934 914 N CB 0.794 39.342 38.487 0.101 0.000 1.121 914 N HN 0.492 nan 8.380 nan 0.000 0.480 915 Q N 2.367 122.210 119.800 0.072 0.000 2.364 915 Q HA -0.037 4.434 4.340 0.219 0.000 0.209 915 Q C 0.466 176.498 176.000 0.054 0.000 0.977 915 Q CA 0.785 56.632 55.803 0.073 0.000 0.885 915 Q CB 0.002 28.774 28.738 0.057 0.000 0.941 915 Q HN 0.600 nan 8.270 nan 0.000 0.464 916 N N 0.366 119.083 118.700 0.029 0.000 2.494 916 N HA 0.020 4.892 4.740 0.219 0.000 0.182 916 N C 0.551 176.028 175.510 -0.056 0.000 1.076 916 N CA 0.182 53.235 53.050 0.006 0.000 0.908 916 N CB 0.305 38.805 38.487 0.022 0.000 0.967 916 N HN 0.318 nan 8.380 nan 0.000 0.449 917 I N 1.729 122.227 120.570 -0.120 0.000 2.648 917 I HA 0.005 4.307 4.170 0.219 0.000 0.284 917 I C 0.505 176.437 176.117 -0.309 0.000 1.153 917 I CA 0.165 61.268 61.300 -0.329 0.000 1.426 917 I CB 0.564 38.270 38.000 -0.489 0.000 1.381 917 I HN -0.199 nan 8.210 nan 0.000 0.571 918 I N 5.841 126.179 120.570 -0.387 0.000 2.392 918 I HA 0.355 4.656 4.170 0.219 0.000 0.295 918 I C -0.437 175.399 176.117 -0.469 0.000 0.985 918 I CA -0.333 60.808 61.300 -0.266 0.000 1.221 918 I CB 1.067 38.985 38.000 -0.137 0.000 1.366 918 I HN 0.328 nan 8.210 nan 0.000 0.467 919 F N 3.186 123.088 119.950 -0.080 0.000 2.541 919 F HA 0.341 4.999 4.527 0.219 0.000 0.331 919 F C 0.759 176.491 175.800 -0.113 0.000 1.057 919 F CA -0.831 57.111 58.000 -0.097 0.000 0.975 919 F CB 0.761 39.691 39.000 -0.115 0.000 1.246 919 F HN 0.406 nan 8.300 nan 0.000 0.484 920 N N 0.735 119.455 118.700 0.033 0.000 2.468 920 N HA -0.071 4.800 4.740 0.219 0.000 0.265 920 N C 0.610 176.070 175.510 -0.084 0.000 1.199 920 N CA 0.460 53.430 53.050 -0.133 0.000 0.928 920 N CB 1.365 39.596 38.487 -0.428 0.000 1.059 920 N HN 0.646 nan 8.380 nan 0.000 0.467 921 S N 2.613 118.284 115.700 -0.050 0.000 2.478 921 S HA 0.025 4.627 4.470 0.219 0.000 0.222 921 S C 1.719 176.329 174.600 0.016 0.000 1.008 921 S CA 0.160 58.357 58.200 -0.004 0.000 0.928 921 S CB 0.232 63.440 63.200 0.014 0.000 0.781 921 S HN 0.431 nan 8.310 nan 0.000 0.518 922 V N 1.443 121.367 119.914 0.018 0.000 2.302 922 V HA 0.207 4.458 4.120 0.219 0.000 0.243 922 V C 0.805 177.041 176.094 0.237 0.000 1.036 922 V CA 1.367 63.752 62.300 0.141 0.000 1.020 922 V CB -0.654 31.321 31.823 0.254 0.000 0.657 922 V HN 0.662 nan 8.190 nan 0.000 0.453 923 F N -2.284 117.707 119.950 0.069 0.000 2.664 923 F HA 0.715 5.374 4.527 0.219 0.000 0.317 923 F C -1.054 174.811 175.800 0.109 0.000 1.108 923 F CA -2.043 56.005 58.000 0.081 0.000 0.957 923 F CB 1.083 40.130 39.000 0.079 0.000 1.365 923 F HN -0.153 nan 8.300 nan 0.000 0.475 924 L N 2.470 123.856 121.223 0.271 0.000 2.515 924 L HA 0.303 4.775 4.340 0.219 0.000 0.281 924 L C -0.635 176.433 176.870 0.330 0.000 1.131 924 L CA 0.561 55.532 54.840 0.218 0.000 0.905 924 L CB -0.769 41.476 42.059 0.309 0.000 1.246 924 L HN 0.700 nan 8.230 nan 0.000 0.463 925 D N 5.928 126.385 120.400 0.095 0.000 2.483 925 D HA 0.322 5.094 4.640 0.219 0.000 0.281 925 D C -0.931 175.583 176.300 0.355 0.000 1.174 925 D CA -0.139 53.957 54.000 0.160 0.000 0.938 925 D CB -0.101 40.513 40.800 -0.310 0.000 1.002 925 D HN 0.312 nan 8.370 nan 0.000 0.501 926 F N -0.805 119.205 119.950 0.101 0.000 2.745 926 F HA 0.787 5.446 4.527 0.220 0.000 0.316 926 F C -1.333 174.474 175.800 0.013 0.000 1.155 926 F CA -0.928 57.129 58.000 0.096 0.000 0.937 926 F CB 1.245 40.343 39.000 0.164 0.000 1.361 926 F HN -0.088 nan 8.300 nan 0.000 0.472 927 S N 0.762 116.301 115.700 -0.269 0.000 2.564 927 S HA 0.772 5.374 4.470 0.219 0.000 0.274 927 S C -1.530 172.891 174.600 -0.298 0.000 1.124 927 S CA -0.754 57.173 58.200 -0.455 0.000 0.869 927 S CB 2.130 65.146 63.200 -0.307 0.000 1.105 927 S HN 0.630 nan 8.310 nan 0.000 0.472 928 V N 2.295 121.921 119.914 -0.480 0.000 2.656 928 V HA 0.867 5.118 4.120 0.219 0.000 0.307 928 V C -0.418 175.524 176.094 -0.254 0.000 1.051 928 V CA -0.583 61.528 62.300 -0.315 0.000 0.893 928 V CB 1.832 33.419 31.823 -0.393 0.000 0.999 928 V HN 1.011 nan 8.190 nan 0.000 0.426 929 S N 4.154 119.796 115.700 -0.096 0.000 2.564 929 S HA 0.997 5.598 4.470 0.219 0.000 0.274 929 S C -1.080 173.622 174.600 0.171 0.000 1.124 929 S CA -0.633 57.466 58.200 -0.167 0.000 0.869 929 S CB 2.461 65.630 63.200 -0.051 0.000 1.105 929 S HN 1.456 nan 8.310 nan 0.000 0.472 930 F N -2.487 117.547 119.950 0.141 0.000 2.829 930 F HA 0.750 5.409 4.527 0.219 0.000 0.319 930 F C -2.469 173.596 175.800 0.441 0.000 1.153 930 F CA -1.669 56.614 58.000 0.472 0.000 0.912 930 F CB 0.053 39.412 39.000 0.598 0.000 1.292 930 F HN 0.653 nan 8.300 nan 0.000 0.447 931 W N 2.581 124.313 121.300 0.720 0.000 2.570 931 W HA 0.827 5.618 4.660 0.219 0.000 0.337 931 W C -0.711 176.254 176.519 0.742 0.000 1.067 931 W CA -0.827 56.894 57.345 0.626 0.000 1.229 931 W CB 1.807 31.545 29.460 0.462 0.000 1.355 931 W HN 0.726 nan 8.180 nan 0.000 0.555 932 I N 1.714 122.699 120.570 0.690 0.000 2.994 932 I HA 0.549 4.850 4.170 0.219 0.000 0.306 932 I C -1.147 174.885 176.117 -0.141 0.000 1.195 932 I CA -1.445 60.052 61.300 0.328 0.000 1.001 932 I CB 2.136 40.272 38.000 0.227 0.000 1.244 932 I HN 0.452 nan 8.210 nan 0.000 0.437 933 R N 6.707 126.993 120.500 -0.357 0.000 2.518 933 R HA 0.575 5.047 4.340 0.219 0.000 0.296 933 R C -1.973 174.248 176.300 -0.132 0.000 1.080 933 R CA -0.454 55.377 56.100 -0.447 0.000 0.922 933 R CB 1.151 30.760 30.300 -1.152 0.000 1.184 933 R HN 0.544 nan 8.270 nan 0.000 0.445 934 I N 6.620 127.197 120.570 0.011 0.000 2.321 934 I HA 0.386 4.688 4.170 0.219 0.000 0.291 934 I C -1.805 174.342 176.117 0.051 0.000 0.998 934 I CA -2.388 58.967 61.300 0.092 0.000 1.227 934 I CB 1.637 39.808 38.000 0.284 0.000 1.368 934 I HN 0.399 nan 8.210 nan 0.000 0.466 935 P HA 0.011 nan 4.420 nan 0.000 0.270 935 P C -0.629 176.616 177.300 -0.091 0.000 1.223 935 P CA -0.431 62.556 63.100 -0.188 0.000 0.785 935 P CB 0.813 32.185 31.700 -0.547 0.000 0.923 936 K N 1.964 122.235 120.400 -0.215 0.000 2.380 936 K HA 0.013 4.464 4.320 0.219 0.000 0.267 936 K C 0.093 176.340 176.600 -0.588 0.000 0.990 936 K CA -0.251 55.720 56.287 -0.526 0.000 0.946 936 K CB -0.031 31.881 32.500 -0.980 0.000 0.937 936 K HN 0.377 nan 8.250 nan 0.000 0.491 937 Y N 0.769 120.742 120.300 -0.545 0.000 2.426 937 Y HA 0.191 4.873 4.550 0.220 0.000 0.344 937 Y C -0.102 175.522 175.900 -0.460 0.000 1.256 937 Y CA -0.750 56.909 58.100 -0.735 0.000 1.451 937 Y CB 0.234 37.810 38.460 -1.474 0.000 1.342 937 Y HN 0.187 nan 8.280 nan 0.000 0.600 938 K N 2.362 122.707 120.400 -0.092 0.000 2.258 938 K HA 0.114 4.566 4.320 0.219 0.000 0.284 938 K C 0.262 176.885 176.600 0.038 0.000 1.051 938 K CA -0.374 55.875 56.287 -0.062 0.000 0.923 938 K CB 0.966 33.451 32.500 -0.025 0.000 1.046 938 K HN 0.748 nan 8.250 nan 0.000 0.474 939 N N 1.854 120.582 118.700 0.046 0.000 2.137 939 N HA -0.190 4.681 4.740 0.219 0.000 0.190 939 N C 0.560 176.118 175.510 0.080 0.000 1.017 939 N CA 1.424 54.531 53.050 0.095 0.000 0.859 939 N CB 0.002 38.593 38.487 0.173 0.000 1.002 939 N HN 0.612 nan 8.380 nan 0.000 0.428 940 D N -1.666 118.771 120.400 0.062 0.000 2.460 940 D HA 0.191 4.963 4.640 0.219 0.000 0.229 940 D C 0.745 177.070 176.300 0.041 0.000 1.170 940 D CA -0.190 53.843 54.000 0.055 0.000 0.827 940 D CB -0.423 40.406 40.800 0.049 0.000 0.973 940 D HN 0.167 nan 8.370 nan 0.000 0.496 941 G N 0.215 109.037 108.800 0.037 0.000 4.908 941 G HA2 0.116 4.207 3.960 0.219 0.000 0.267 941 G HA3 0.116 4.207 3.960 0.219 0.000 0.267 941 G C 0.936 175.867 174.900 0.052 0.000 0.958 941 G CA -0.290 44.836 45.100 0.044 0.000 0.743 941 G HN 0.089 nan 8.290 nan 0.000 0.410 942 I N 0.518 121.099 120.570 0.019 0.000 2.151 942 I HA -0.191 4.111 4.170 0.219 0.000 0.243 942 I C 2.662 178.798 176.117 0.031 0.000 1.080 942 I CA 1.255 62.547 61.300 -0.013 0.000 1.339 942 I CB -0.728 37.252 38.000 -0.033 0.000 1.039 942 I HN 0.176 nan 8.210 nan 0.000 0.409 943 Q N 0.891 120.711 119.800 0.033 0.000 2.030 943 Q HA -0.175 4.297 4.340 0.219 0.000 0.204 943 Q C 2.027 177.996 176.000 -0.053 0.000 0.986 943 Q CA 1.407 57.194 55.803 -0.027 0.000 0.843 943 Q CB -0.707 28.081 28.738 0.084 0.000 0.904 943 Q HN 0.573 nan 8.270 nan 0.000 0.420 944 N N -0.061 118.669 118.700 0.049 0.000 2.166 944 N HA -0.176 4.695 4.740 0.219 0.000 0.186 944 N C 1.745 177.296 175.510 0.067 0.000 1.019 944 N CA 1.007 54.099 53.050 0.069 0.000 0.856 944 N CB -0.490 38.039 38.487 0.069 0.000 0.993 944 N HN 0.324 nan 8.380 nan 0.000 0.426 945 Y N 1.624 121.897 120.300 -0.045 0.000 2.070 945 Y HA -0.192 4.489 4.550 0.219 0.000 0.280 945 Y C 2.151 178.000 175.900 -0.086 0.000 1.148 945 Y CA 1.445 59.530 58.100 -0.024 0.000 1.125 945 Y CB -0.457 37.999 38.460 -0.005 0.000 0.975 945 Y HN -0.133 nan 8.280 nan 0.000 0.492 946 I N -0.028 120.472 120.570 -0.117 0.000 2.361 946 I HA -0.294 4.007 4.170 0.219 0.000 0.251 946 I C 1.986 177.903 176.117 -0.333 0.000 1.133 946 I CA 1.983 63.072 61.300 -0.352 0.000 1.413 946 I CB -0.644 37.028 38.000 -0.547 0.000 1.073 946 I HN 0.359 nan 8.210 nan 0.000 0.424 947 H N -1.737 117.280 119.070 -0.087 0.000 2.604 947 H HA 0.247 4.935 4.556 0.220 0.000 0.273 947 H C 0.437 175.727 175.328 -0.063 0.000 0.971 947 H CA -0.258 55.741 56.048 -0.082 0.000 1.249 947 H CB 0.237 29.970 29.762 -0.050 0.000 1.449 947 H HN 0.122 nan 8.280 nan 0.000 0.512 948 N N 2.522 121.268 118.700 0.078 0.000 2.401 948 N HA -0.004 4.868 4.740 0.219 0.000 0.255 948 N C -0.525 175.042 175.510 0.096 0.000 1.110 948 N CA 0.133 53.229 53.050 0.076 0.000 0.949 948 N CB 1.357 39.891 38.487 0.078 0.000 1.110 948 N HN 0.479 nan 8.380 nan 0.000 0.490 949 E N 2.913 123.146 120.200 0.055 0.000 2.249 949 E HA 0.195 4.677 4.350 0.219 0.000 0.280 949 E C -1.208 175.461 176.600 0.114 0.000 1.016 949 E CA -0.607 55.798 56.400 0.009 0.000 0.830 949 E CB 0.652 30.315 29.700 -0.062 0.000 1.081 949 E HN 0.484 nan 8.360 nan 0.000 0.395 950 Y N -0.166 120.110 120.300 -0.041 0.000 2.457 950 Y HA 0.439 5.120 4.550 0.219 0.000 0.343 950 Y C -0.538 175.355 175.900 -0.012 0.000 0.994 950 Y CA -1.217 56.867 58.100 -0.026 0.000 1.031 950 Y CB 1.161 39.608 38.460 -0.022 0.000 1.246 950 Y HN 0.137 nan 8.280 nan 0.000 0.449 951 T N 4.400 118.992 114.554 0.065 0.000 2.907 951 T HA 0.288 4.769 4.350 0.219 0.000 0.298 951 T C 1.151 175.889 174.700 0.064 0.000 1.017 951 T CA -0.036 62.066 62.100 0.004 0.000 1.118 951 T CB 0.608 69.468 68.868 -0.014 0.000 0.948 951 T HN 0.811 nan 8.240 nan 0.000 0.531 952 I N -0.105 120.480 120.570 0.026 0.000 4.124 952 I HA 0.512 4.813 4.170 0.219 0.000 0.311 952 I C -0.055 176.057 176.117 -0.008 0.000 1.259 952 I CA 0.078 61.421 61.300 0.072 0.000 1.315 952 I CB 0.545 38.603 38.000 0.096 0.000 1.223 952 I HN 0.343 nan 8.210 nan 0.000 0.441 953 I N 2.196 122.719 120.570 -0.079 0.000 2.534 953 I HA 0.363 4.664 4.170 0.219 0.000 0.288 953 I C -1.266 174.717 176.117 -0.223 0.000 1.077 953 I CA -0.393 60.750 61.300 -0.262 0.000 1.051 953 I CB 2.033 39.843 38.000 -0.316 0.000 1.234 953 I HN 0.182 nan 8.210 nan 0.000 0.425 954 N N 5.438 123.924 118.700 -0.357 0.000 2.352 954 N HA 0.400 5.271 4.740 0.219 0.000 0.291 954 N C -1.759 173.395 175.510 -0.594 0.000 1.040 954 N CA -0.332 52.481 53.050 -0.395 0.000 0.864 954 N CB 2.397 40.735 38.487 -0.250 0.000 1.440 954 N HN 0.660 nan 8.380 nan 0.000 0.483 955 C N 7.071 125.830 119.300 -0.902 0.000 2.647 955 C HA 0.536 5.127 4.460 0.219 0.000 0.273 955 C C -0.945 173.637 174.990 -0.679 0.000 1.088 955 C CA -0.502 57.950 59.018 -0.945 0.000 1.529 955 C CB -0.910 25.825 27.740 -1.675 0.000 1.810 955 C HN 0.631 nan 8.230 nan 0.000 0.422 956 M N 3.927 123.289 119.600 -0.398 0.000 2.456 956 M HA 0.533 5.144 4.480 0.219 0.000 0.324 956 M C -0.632 175.555 176.300 -0.189 0.000 1.124 956 M CA -0.166 54.972 55.300 -0.270 0.000 0.959 956 M CB 1.982 34.458 32.600 -0.208 0.000 1.692 956 M HN 0.595 nan 8.290 nan 0.000 0.444 957 K N 2.487 122.796 120.400 -0.152 0.000 2.565 957 K HA 0.319 4.770 4.320 0.219 0.000 0.249 957 K C -0.606 175.942 176.600 -0.087 0.000 0.958 957 K CA -0.300 55.922 56.287 -0.109 0.000 0.806 957 K CB 0.947 33.384 32.500 -0.104 0.000 1.194 957 K HN 0.717 nan 8.250 nan 0.000 0.434 958 N N 3.776 122.434 118.700 -0.069 0.000 2.721 958 N HA -0.229 4.642 4.740 0.219 0.000 0.249 958 N C -0.944 174.532 175.510 -0.057 0.000 1.072 958 N CA 1.391 54.408 53.050 -0.055 0.000 0.710 958 N CB -1.121 37.338 38.487 -0.046 0.000 0.993 958 N HN 0.937 nan 8.380 nan 0.000 0.547 959 N N -2.734 115.924 118.700 -0.069 0.000 2.850 959 N HA -0.183 4.689 4.740 0.219 0.000 0.249 959 N C -0.485 174.983 175.510 -0.070 0.000 1.060 959 N CA 1.425 54.434 53.050 -0.068 0.000 0.825 959 N CB -1.236 37.220 38.487 -0.051 0.000 1.132 959 N HN 0.589 nan 8.380 nan 0.000 0.564 960 S N -1.327 114.324 115.700 -0.081 0.000 2.542 960 S HA 0.867 5.469 4.470 0.219 0.000 0.293 960 S C 0.338 174.873 174.600 -0.109 0.000 1.089 960 S CA 0.487 58.642 58.200 -0.076 0.000 0.961 960 S CB 2.156 65.320 63.200 -0.060 0.000 1.062 960 S HN 0.867 nan 8.310 nan 0.000 0.483 961 G N 2.420 111.166 108.800 -0.090 0.000 2.332 961 G HA2 0.217 4.309 3.960 0.219 0.000 0.265 961 G HA3 0.217 4.309 3.960 0.219 0.000 0.265 961 G C -1.798 173.081 174.900 -0.034 0.000 1.329 961 G CA -0.140 44.888 45.100 -0.119 0.000 0.949 961 G HN 1.044 nan 8.290 nan 0.000 0.476 962 W N 0.285 121.477 121.300 -0.179 0.000 3.029 962 W HA 0.841 5.633 4.660 0.219 0.000 0.339 962 W C -0.779 175.556 176.519 -0.306 0.000 1.198 962 W CA -0.897 56.235 57.345 -0.356 0.000 1.148 962 W CB 1.523 30.721 29.460 -0.436 0.000 1.451 962 W HN 1.072 nan 8.180 nan 0.000 0.564 963 K N 0.415 120.770 120.400 -0.074 0.000 2.568 963 K HA 0.750 5.201 4.320 0.219 0.000 0.273 963 K C -2.057 174.619 176.600 0.126 0.000 0.951 963 K CA -0.884 55.402 56.287 -0.001 0.000 0.854 963 K CB 2.382 34.814 32.500 -0.113 0.000 1.424 963 K HN 0.542 nan 8.250 nan 0.000 0.427 964 I N 2.354 123.065 120.570 0.235 0.000 2.406 964 I HA 0.355 4.657 4.170 0.219 0.000 0.290 964 I C -0.551 175.637 176.117 0.119 0.000 0.999 964 I CA -0.475 61.008 61.300 0.304 0.000 1.124 964 I CB 2.099 40.358 38.000 0.431 0.000 1.289 964 I HN 0.934 nan 8.210 nan 0.000 0.441 965 S N 6.479 122.225 115.700 0.077 0.000 2.697 965 S HA 0.800 5.401 4.470 0.219 0.000 0.289 965 S C -0.851 173.658 174.600 -0.152 0.000 1.149 965 S CA -0.814 57.343 58.200 -0.071 0.000 0.850 965 S CB 2.299 65.448 63.200 -0.084 0.000 1.151 965 S HN 0.442 nan 8.310 nan 0.000 0.491 966 I N 0.562 120.864 120.570 -0.447 0.000 2.619 966 I HA 0.532 4.833 4.170 0.219 0.000 0.292 966 I C -0.500 175.268 176.117 -0.581 0.000 1.100 966 I CA -0.528 60.449 61.300 -0.537 0.000 1.043 966 I CB 2.386 39.928 38.000 -0.763 0.000 1.239 966 I HN 0.701 nan 8.210 nan 0.000 0.420 967 R N 4.384 124.669 120.500 -0.358 0.000 2.467 967 R HA 0.534 5.006 4.340 0.219 0.000 0.299 967 R C 0.472 176.526 176.300 -0.409 0.000 1.120 967 R CA 0.382 56.301 56.100 -0.302 0.000 0.940 967 R CB 1.189 31.337 30.300 -0.252 0.000 1.161 967 R HN 0.935 nan 8.270 nan 0.000 0.506 968 G N 3.888 112.354 108.800 -0.556 0.000 2.620 968 G HA2 -0.453 3.638 3.960 0.219 0.000 0.315 968 G HA3 -0.453 3.638 3.960 0.219 0.000 0.315 968 G C 0.227 174.642 174.900 -0.807 0.000 1.179 968 G CA 0.581 44.889 45.100 -1.319 0.000 0.971 968 G HN 0.745 nan 8.290 nan 0.000 0.544 969 N N 1.281 119.647 118.700 -0.557 0.000 2.295 969 N HA 0.128 4.999 4.740 0.219 0.000 0.221 969 N C 0.586 175.615 175.510 -0.802 0.000 1.129 969 N CA 0.516 53.206 53.050 -0.599 0.000 0.836 969 N CB 0.548 38.748 38.487 -0.478 0.000 1.040 969 N HN 0.862 nan 8.380 nan 0.000 0.494 970 R N 0.684 120.922 120.500 -0.438 0.000 2.599 970 R HA 0.522 4.994 4.340 0.219 0.000 0.295 970 R C -1.190 175.071 176.300 -0.064 0.000 0.963 970 R CA -0.582 55.355 56.100 -0.272 0.000 0.883 970 R CB 1.258 31.352 30.300 -0.343 0.000 1.171 970 R HN -0.005 nan 8.270 nan 0.000 0.450 971 I N 5.916 126.577 120.570 0.151 0.000 2.354 971 I HA 0.368 4.670 4.170 0.219 0.000 0.292 971 I C -0.383 175.906 176.117 0.286 0.000 0.989 971 I CA -0.827 60.626 61.300 0.256 0.000 1.188 971 I CB 1.778 40.047 38.000 0.448 0.000 1.342 971 I HN 0.490 nan 8.210 nan 0.000 0.457 972 I N 5.555 126.262 120.570 0.229 0.000 2.465 972 I HA 0.321 4.622 4.170 0.219 0.000 0.291 972 I C -0.896 175.429 176.117 0.347 0.000 1.014 972 I CA -0.504 60.957 61.300 0.269 0.000 1.093 972 I CB 2.058 40.127 38.000 0.116 0.000 1.267 972 I HN 0.612 nan 8.210 nan 0.000 0.431 973 W N 6.547 127.950 121.300 0.172 0.000 2.475 973 W HA 0.578 5.370 4.660 0.220 0.000 0.317 973 W C -1.527 175.085 176.519 0.155 0.000 1.046 973 W CA -0.409 57.038 57.345 0.169 0.000 1.215 973 W CB 1.977 31.513 29.460 0.127 0.000 1.335 973 W HN 0.412 nan 8.180 nan 0.000 0.471 974 T N 6.899 121.221 114.554 -0.388 0.000 2.861 974 T HA 0.545 5.027 4.350 0.219 0.000 0.287 974 T C -0.504 173.914 174.700 -0.468 0.000 1.003 974 T CA -0.542 61.371 62.100 -0.312 0.000 0.977 974 T CB 1.779 70.566 68.868 -0.134 0.000 0.996 974 T HN 0.307 nan 8.240 nan 0.000 0.448 975 L N 3.520 124.597 121.223 -0.243 0.000 2.346 975 L HA 0.669 5.141 4.340 0.219 0.000 0.276 975 L C -0.800 176.047 176.870 -0.039 0.000 1.006 975 L CA -0.940 53.835 54.840 -0.109 0.000 0.817 975 L CB 1.774 43.857 42.059 0.039 0.000 1.272 975 L HN 0.522 nan 8.230 nan 0.000 0.421 976 I N 2.359 122.912 120.570 -0.028 0.000 2.439 976 I HA 0.217 4.519 4.170 0.219 0.000 0.285 976 I C -0.635 175.476 176.117 -0.009 0.000 1.021 976 I CA -0.719 60.566 61.300 -0.024 0.000 1.091 976 I CB 1.864 39.834 38.000 -0.050 0.000 1.242 976 I HN 0.604 nan 8.210 nan 0.000 0.439 977 D N 6.244 126.647 120.400 0.005 0.000 2.478 977 D HA 0.141 4.913 4.640 0.219 0.000 0.269 977 D C 1.273 177.569 176.300 -0.007 0.000 1.232 977 D CA -0.508 53.497 54.000 0.008 0.000 1.059 977 D CB 0.769 41.585 40.800 0.026 0.000 1.104 977 D HN 0.588 nan 8.370 nan 0.000 0.566 978 I N -3.012 117.554 120.570 -0.007 0.000 2.756 978 I HA -0.074 4.227 4.170 0.219 0.000 0.262 978 I C 0.839 176.950 176.117 -0.009 0.000 1.225 978 I CA 0.845 62.137 61.300 -0.013 0.000 1.472 978 I CB -0.748 37.245 38.000 -0.012 0.000 1.094 978 I HN 0.177 nan 8.210 nan 0.000 0.454 979 N N 1.028 119.727 118.700 -0.002 0.000 2.398 979 N HA 0.174 5.046 4.740 0.219 0.000 0.188 979 N C 1.266 176.772 175.510 -0.005 0.000 1.122 979 N CA 0.651 53.700 53.050 -0.002 0.000 0.866 979 N CB 0.513 39.002 38.487 0.004 0.000 0.970 979 N HN 0.627 nan 8.380 nan 0.000 0.462 980 G N 1.293 110.088 108.800 -0.009 0.000 2.175 980 G HA2 -0.319 3.773 3.960 0.219 0.000 0.244 980 G HA3 -0.319 3.773 3.960 0.219 0.000 0.244 980 G C 0.138 175.032 174.900 -0.009 0.000 0.982 980 G CA -0.123 44.969 45.100 -0.013 0.000 0.641 980 G HN 0.334 nan 8.290 nan 0.000 0.527 981 K N 1.024 121.423 120.400 -0.001 0.000 2.326 981 K HA 0.537 4.988 4.320 0.219 0.000 0.275 981 K C -0.046 176.558 176.600 0.006 0.000 1.018 981 K CA 0.577 56.867 56.287 0.005 0.000 0.962 981 K CB 0.366 32.874 32.500 0.014 0.000 0.953 981 K HN 0.115 nan 8.250 nan 0.000 0.475 982 T N 3.597 118.155 114.554 0.007 0.000 2.907 982 T HA 0.508 4.990 4.350 0.219 0.000 0.292 982 T C -1.228 173.485 174.700 0.021 0.000 1.043 982 T CA -1.017 61.086 62.100 0.005 0.000 1.003 982 T CB 1.458 70.321 68.868 -0.008 0.000 1.084 982 T HN 0.392 nan 8.240 nan 0.000 0.483 983 K N 1.108 121.524 120.400 0.027 0.000 2.546 983 K HA 0.725 5.176 4.320 0.219 0.000 0.264 983 K C -1.274 175.365 176.600 0.065 0.000 0.937 983 K CA -0.717 55.603 56.287 0.055 0.000 0.833 983 K CB 2.553 35.099 32.500 0.076 0.000 1.378 983 K HN 0.637 nan 8.250 nan 0.000 0.432 984 S N 0.051 115.813 115.700 0.103 0.000 2.627 984 S HA 0.663 5.265 4.470 0.219 0.000 0.283 984 S C -1.487 173.238 174.600 0.208 0.000 1.127 984 S CA -0.780 57.513 58.200 0.153 0.000 0.863 984 S CB 2.615 65.898 63.200 0.138 0.000 1.121 984 S HN 0.348 nan 8.310 nan 0.000 0.479 985 V N 3.038 123.118 119.914 0.277 0.000 2.851 985 V HA 0.880 5.132 4.120 0.219 0.000 0.307 985 V C -2.032 174.220 176.094 0.263 0.000 1.129 985 V CA -0.754 61.653 62.300 0.179 0.000 0.932 985 V CB 1.444 33.333 31.823 0.110 0.000 1.024 985 V HN 0.874 nan 8.190 nan 0.000 0.426 986 F N 4.807 124.812 119.950 0.093 0.000 2.650 986 F HA 0.883 5.542 4.527 0.219 0.000 0.320 986 F C -1.817 174.056 175.800 0.122 0.000 1.091 986 F CA -1.531 56.531 58.000 0.102 0.000 0.962 986 F CB 1.780 40.804 39.000 0.041 0.000 1.363 986 F HN 0.522 nan 8.300 nan 0.000 0.482 987 F N 1.687 121.756 119.950 0.198 0.000 2.518 987 F HA 0.549 5.208 4.527 0.219 0.000 0.323 987 F C -1.080 174.803 175.800 0.138 0.000 1.129 987 F CA -0.626 57.401 58.000 0.045 0.000 0.920 987 F CB 1.636 40.620 39.000 -0.026 0.000 1.160 987 F HN 0.797 nan 8.300 nan 0.000 0.440 988 E N 6.113 125.909 120.200 -0.673 0.000 2.210 988 E HA 0.363 4.845 4.350 0.219 0.000 0.266 988 E C -1.757 174.251 176.600 -0.986 0.000 0.883 988 E CA -0.813 55.184 56.400 -0.672 0.000 0.761 988 E CB 1.415 30.982 29.700 -0.222 0.000 1.156 988 E HN 0.607 nan 8.360 nan 0.000 0.412 989 Y N 1.675 121.583 120.300 -0.653 0.000 2.420 989 Y HA 0.460 5.143 4.550 0.221 0.000 0.334 989 Y C -0.013 175.822 175.900 -0.108 0.000 1.094 989 Y CA -1.536 56.288 58.100 -0.460 0.000 1.126 989 Y CB 0.386 38.632 38.460 -0.358 0.000 1.217 989 Y HN 0.400 nan 8.280 nan 0.000 0.462 990 N N 2.153 120.948 118.700 0.158 0.000 2.458 990 N HA 0.117 4.989 4.740 0.219 0.000 0.258 990 N C 0.049 175.731 175.510 0.287 0.000 1.219 990 N CA -0.015 53.133 53.050 0.165 0.000 0.902 990 N CB 0.332 38.918 38.487 0.164 0.000 1.076 990 N HN 0.800 nan 8.380 nan 0.000 0.455 991 I N -0.376 120.325 120.570 0.217 0.000 3.654 991 I HA 0.408 4.709 4.170 0.219 0.000 0.337 991 I C 0.095 176.344 176.117 0.219 0.000 1.568 991 I CA -0.348 61.123 61.300 0.286 0.000 1.115 991 I CB 0.233 38.370 38.000 0.228 0.000 1.300 991 I HN 0.394 nan 8.210 nan 0.000 0.471 992 R N 0.578 121.200 120.500 0.203 0.000 2.549 992 R HA 0.319 4.790 4.340 0.219 0.000 0.361 992 R C -0.159 176.254 176.300 0.188 0.000 0.969 992 R CA -0.251 55.953 56.100 0.172 0.000 1.158 992 R CB 0.736 31.108 30.300 0.119 0.000 1.456 992 R HN 0.431 nan 8.270 nan 0.000 0.540 993 E N 0.982 121.316 120.200 0.224 0.000 2.373 993 E HA 0.007 4.488 4.350 0.219 0.000 0.263 993 E C -0.013 176.732 176.600 0.241 0.000 1.073 993 E CA -0.351 56.174 56.400 0.209 0.000 0.894 993 E CB 0.824 30.651 29.700 0.212 0.000 1.008 993 E HN 0.021 nan 8.360 nan 0.000 0.420 994 D N 0.685 121.206 120.400 0.202 0.000 2.092 994 D HA -0.090 4.681 4.640 0.219 0.000 0.193 994 D C 0.439 176.891 176.300 0.254 0.000 0.994 994 D CA 1.410 55.538 54.000 0.213 0.000 0.828 994 D CB 0.253 41.154 40.800 0.170 0.000 0.963 994 D HN 0.245 nan 8.370 nan 0.000 0.450 995 I N 0.476 121.180 120.570 0.222 0.000 2.468 995 I HA 0.123 4.425 4.170 0.219 0.000 0.285 995 I C -0.055 176.163 176.117 0.168 0.000 1.039 995 I CA -0.498 60.917 61.300 0.192 0.000 1.074 995 I CB 1.604 39.719 38.000 0.193 0.000 1.228 995 I HN -0.226 nan 8.210 nan 0.000 0.436 996 S N 4.543 120.356 115.700 0.188 0.000 2.586 996 S HA 0.278 4.880 4.470 0.219 0.000 0.274 996 S C 0.949 175.536 174.600 -0.022 0.000 1.281 996 S CA -0.261 58.035 58.200 0.160 0.000 1.035 996 S CB 1.136 64.509 63.200 0.288 0.000 0.962 996 S HN 0.507 nan 8.310 nan 0.000 0.512 997 E N 2.890 122.980 120.200 -0.184 0.000 2.442 997 E HA 0.022 4.503 4.350 0.219 0.000 0.195 997 E C 0.200 176.422 176.600 -0.630 0.000 1.030 997 E CA 0.779 56.884 56.400 -0.491 0.000 0.869 997 E CB 0.057 29.329 29.700 -0.713 0.000 0.857 997 E HN 0.845 nan 8.360 nan 0.000 0.505 998 Y N -0.518 119.752 120.300 -0.050 0.000 2.589 998 Y HA 0.279 4.962 4.550 0.222 0.000 0.271 998 Y C 1.169 177.034 175.900 -0.058 0.000 1.107 998 Y CA -0.474 57.541 58.100 -0.142 0.000 1.273 998 Y CB 0.488 38.569 38.460 -0.631 0.000 1.266 998 Y HN -0.180 nan 8.280 nan 0.000 0.504 999 I N 2.888 123.541 120.570 0.137 0.000 2.664 999 I HA -0.165 4.136 4.170 0.219 0.000 0.284 999 I C 1.081 177.425 176.117 0.379 0.000 1.154 999 I CA 0.846 62.308 61.300 0.270 0.000 1.402 999 I CB -0.078 38.186 38.000 0.440 0.000 1.395 999 I HN 0.522 nan 8.210 nan 0.000 0.545 1000 N N 4.321 123.183 118.700 0.269 0.000 2.713 1000 N HA -0.219 4.653 4.740 0.219 0.000 0.251 1000 N C -0.273 175.377 175.510 0.233 0.000 1.117 1000 N CA 0.671 53.814 53.050 0.154 0.000 0.770 1000 N CB -0.144 38.383 38.487 0.066 0.000 1.137 1000 N HN 0.614 nan 8.380 nan 0.000 0.566 1001 R N -0.391 120.300 120.500 0.318 0.000 2.637 1001 R HA 0.252 4.724 4.340 0.219 0.000 0.291 1001 R C -0.757 175.782 176.300 0.397 0.000 0.963 1001 R CA -0.627 55.690 56.100 0.361 0.000 0.901 1001 R CB 0.673 31.142 30.300 0.283 0.000 1.160 1001 R HN 0.097 nan 8.270 nan 0.000 0.457 1002 W N 3.771 125.308 121.300 0.395 0.000 2.322 1002 W HA 0.078 4.869 4.660 0.218 0.000 0.328 1002 W C 0.068 177.018 176.519 0.719 0.000 1.395 1002 W CA 0.324 57.941 57.345 0.453 0.000 1.267 1002 W CB 0.198 29.880 29.460 0.370 0.000 1.259 1002 W HN 0.442 nan 8.180 nan 0.000 0.560 1003 F N 2.533 122.991 119.950 0.847 0.000 2.626 1003 F HA 0.632 5.290 4.527 0.218 0.000 0.311 1003 F C -1.680 174.327 175.800 0.344 0.000 1.088 1003 F CA -2.578 55.776 58.000 0.590 0.000 0.949 1003 F CB 0.783 40.042 39.000 0.433 0.000 1.322 1003 F HN 0.102 nan 8.300 nan 0.000 0.461 1004 F N 2.966 122.841 119.950 -0.126 0.000 2.410 1004 F HA 0.730 5.390 4.527 0.221 0.000 0.349 1004 F C -1.082 174.461 175.800 -0.429 0.000 1.117 1004 F CA -1.377 56.142 58.000 -0.802 0.000 1.104 1004 F CB 1.212 39.438 39.000 -1.290 0.000 1.122 1004 F HN 0.422 nan 8.300 nan 0.000 0.483 1005 V N 4.713 124.013 119.914 -1.023 0.000 2.628 1005 V HA 0.639 4.890 4.120 0.219 0.000 0.306 1005 V C -0.513 174.796 176.094 -1.309 0.000 1.045 1005 V CA -0.583 61.112 62.300 -1.008 0.000 0.905 1005 V CB 2.136 33.393 31.823 -0.944 0.000 0.997 1005 V HN 0.825 nan 8.190 nan 0.000 0.436 1006 T N 5.147 119.154 114.554 -0.911 0.000 3.071 1006 T HA 0.630 5.111 4.350 0.219 0.000 0.311 1006 T C -0.782 173.628 174.700 -0.484 0.000 1.042 1006 T CA -0.193 61.464 62.100 -0.739 0.000 1.028 1006 T CB 1.196 69.616 68.868 -0.746 0.000 1.068 1006 T HN 0.383 nan 8.240 nan 0.000 0.451 1007 I N 3.339 123.573 120.570 -0.559 0.000 2.406 1007 I HA 0.556 4.857 4.170 0.219 0.000 0.290 1007 I C 0.472 176.184 176.117 -0.675 0.000 0.999 1007 I CA -0.593 60.310 61.300 -0.662 0.000 1.124 1007 I CB 2.047 39.385 38.000 -1.103 0.000 1.289 1007 I HN 0.683 nan 8.210 nan 0.000 0.441 1008 T N 2.213 116.491 114.554 -0.460 0.000 2.887 1008 T HA 0.576 5.057 4.350 0.219 0.000 0.288 1008 T C -0.746 173.792 174.700 -0.270 0.000 1.021 1008 T CA -0.929 60.956 62.100 -0.360 0.000 1.000 1008 T CB 1.724 70.492 68.868 -0.166 0.000 1.034 1008 T HN 0.507 nan 8.240 nan 0.000 0.467 1009 N N 2.494 121.092 118.700 -0.171 0.000 2.260 1009 N HA 0.448 5.319 4.740 0.219 0.000 0.293 1009 N C -1.121 174.515 175.510 0.210 0.000 1.058 1009 N CA -0.690 52.391 53.050 0.052 0.000 0.824 1009 N CB 2.560 41.161 38.487 0.190 0.000 1.551 1009 N HN 0.895 nan 8.380 nan 0.000 0.475 1010 N N 0.223 119.062 118.700 0.231 0.000 3.343 1010 N HA 0.244 5.116 4.740 0.219 0.000 0.330 1010 N C 0.491 176.132 175.510 0.217 0.000 1.560 1010 N CA -0.736 52.522 53.050 0.346 0.000 0.752 1010 N CB 0.328 38.898 38.487 0.137 0.000 1.863 1010 N HN 0.253 nan 8.380 nan 0.000 0.636 1011 L N -0.092 120.923 121.223 -0.347 0.000 2.042 1011 L HA 0.026 4.497 4.340 0.219 0.000 0.210 1011 L C 1.043 177.848 176.870 -0.108 0.000 1.076 1011 L CA 2.097 56.715 54.840 -0.369 0.000 0.749 1011 L CB -1.149 40.404 42.059 -0.845 0.000 0.893 1011 L HN 0.616 nan 8.230 nan 0.000 0.432 1012 N N -0.058 118.571 118.700 -0.118 0.000 2.409 1012 N HA 0.058 4.930 4.740 0.219 0.000 0.174 1012 N C -0.496 175.009 175.510 -0.008 0.000 1.037 1012 N CA 0.728 53.746 53.050 -0.055 0.000 0.898 1012 N CB 0.089 38.531 38.487 -0.075 0.000 1.010 1012 N HN 0.683 nan 8.380 nan 0.000 0.445 1013 N N -1.662 117.045 118.700 0.011 0.000 3.127 1013 N HA 0.431 5.302 4.740 0.219 0.000 0.239 1013 N C -1.873 173.661 175.510 0.040 0.000 1.407 1013 N CA -0.847 52.218 53.050 0.025 0.000 0.891 1013 N CB 1.481 39.960 38.487 -0.012 0.000 1.447 1013 N HN -0.146 nan 8.380 nan 0.000 0.507 1014 A N 0.843 123.691 122.820 0.047 0.000 2.288 1014 A HA 0.574 5.026 4.320 0.219 0.000 0.320 1014 A C -0.530 177.014 177.584 -0.067 0.000 1.217 1014 A CA -0.541 51.515 52.037 0.032 0.000 0.840 1014 A CB 0.681 19.796 19.000 0.191 0.000 1.179 1014 A HN 0.565 nan 8.150 nan 0.000 0.504 1015 K N 1.913 122.222 120.400 -0.151 0.000 2.259 1015 K HA 0.698 5.149 4.320 0.219 0.000 0.249 1015 K C -1.315 175.107 176.600 -0.297 0.000 0.942 1015 K CA -0.467 55.674 56.287 -0.244 0.000 0.816 1015 K CB 2.381 34.717 32.500 -0.275 0.000 1.155 1015 K HN 0.632 nan 8.250 nan 0.000 0.428 1016 I N 2.763 123.115 120.570 -0.364 0.000 2.418 1016 I HA 0.288 4.590 4.170 0.219 0.000 0.287 1016 I C -1.215 174.627 176.117 -0.458 0.000 1.008 1016 I CA -0.900 60.207 61.300 -0.322 0.000 1.104 1016 I CB 0.987 38.862 38.000 -0.208 0.000 1.264 1016 I HN 0.460 nan 8.210 nan 0.000 0.438 1017 Y N 6.170 126.220 120.300 -0.417 0.000 2.377 1017 Y HA 0.522 5.203 4.550 0.219 0.000 0.339 1017 Y C 0.008 175.576 175.900 -0.553 0.000 1.011 1017 Y CA -0.835 57.004 58.100 -0.435 0.000 1.093 1017 Y CB 1.692 39.908 38.460 -0.407 0.000 1.201 1017 Y HN 0.250 nan 8.280 nan 0.000 0.455 1018 I N 3.780 124.088 120.570 -0.436 0.000 2.418 1018 I HA 0.191 4.493 4.170 0.219 0.000 0.287 1018 I C -0.251 175.627 176.117 -0.398 0.000 1.008 1018 I CA -0.948 60.032 61.300 -0.533 0.000 1.104 1018 I CB 1.371 38.789 38.000 -0.970 0.000 1.264 1018 I HN 0.738 nan 8.210 nan 0.000 0.438 1019 N N 5.095 123.549 118.700 -0.410 0.000 2.727 1019 N HA -0.206 4.665 4.740 0.219 0.000 0.249 1019 N C 1.109 176.097 175.510 -0.870 0.000 1.048 1019 N CA 1.313 53.888 53.050 -0.792 0.000 0.714 1019 N CB -0.975 37.186 38.487 -0.542 0.000 0.959 1019 N HN 1.135 nan 8.380 nan 0.000 0.544 1020 G N -1.351 107.195 108.800 -0.423 0.000 2.179 1020 G HA2 -0.365 3.726 3.960 0.219 0.000 0.260 1020 G HA3 -0.365 3.726 3.960 0.219 0.000 0.260 1020 G C 0.009 174.870 174.900 -0.065 0.000 0.977 1020 G CA 0.862 45.846 45.100 -0.194 0.000 0.641 1020 G HN 0.685 nan 8.290 nan 0.000 0.533 1021 K N 0.221 120.568 120.400 -0.089 0.000 2.270 1021 K HA 0.652 5.103 4.320 0.219 0.000 0.255 1021 K C -0.088 176.452 176.600 -0.099 0.000 0.936 1021 K CA -1.176 55.093 56.287 -0.029 0.000 0.809 1021 K CB 1.337 33.787 32.500 -0.083 0.000 1.131 1021 K HN 0.192 nan 8.250 nan 0.000 0.427 1022 L N 4.130 125.251 121.223 -0.171 0.000 2.513 1022 L HA 0.053 4.525 4.340 0.219 0.000 0.272 1022 L C 0.536 177.189 176.870 -0.363 0.000 1.187 1022 L CA 1.014 55.523 54.840 -0.552 0.000 0.895 1022 L CB 0.482 42.226 42.059 -0.525 0.000 1.147 1022 L HN 0.779 nan 8.230 nan 0.000 0.483 1023 E N 2.086 122.046 120.200 -0.399 0.000 2.367 1023 E HA 0.258 4.739 4.350 0.219 0.000 0.204 1023 E C -0.218 176.267 176.600 -0.192 0.000 0.840 1023 E CA 0.308 56.570 56.400 -0.229 0.000 1.051 1023 E CB 0.583 30.145 29.700 -0.231 0.000 1.051 1023 E HN 0.677 nan 8.360 nan 0.000 0.509 1024 S N 0.655 116.193 115.700 -0.271 0.000 2.588 1024 S HA 0.526 5.127 4.470 0.219 0.000 0.275 1024 S C -0.844 173.599 174.600 -0.262 0.000 1.130 1024 S CA -0.932 57.117 58.200 -0.252 0.000 0.855 1024 S CB 2.492 65.535 63.200 -0.262 0.000 1.116 1024 S HN 0.103 nan 8.310 nan 0.000 0.472 1025 N N 0.427 119.002 118.700 -0.208 0.000 2.367 1025 N HA 0.446 5.318 4.740 0.219 0.000 0.278 1025 N C -2.092 173.356 175.510 -0.104 0.000 1.117 1025 N CA -0.211 52.744 53.050 -0.158 0.000 0.867 1025 N CB 2.299 40.692 38.487 -0.156 0.000 1.649 1025 N HN 0.571 nan 8.380 nan 0.000 0.479 1026 T N 1.246 115.768 114.554 -0.052 0.000 2.921 1026 T HA 0.174 4.656 4.350 0.219 0.000 0.297 1026 T C -1.172 173.534 174.700 0.010 0.000 1.013 1026 T CA -0.500 61.593 62.100 -0.011 0.000 0.990 1026 T CB 1.537 70.425 68.868 0.035 0.000 1.023 1026 T HN 0.536 nan 8.240 nan 0.000 0.447 1027 D N 2.243 122.647 120.400 0.006 0.000 2.390 1027 D HA 0.245 5.017 4.640 0.219 0.000 0.249 1027 D C 0.945 177.266 176.300 0.036 0.000 1.144 1027 D CA -0.307 53.700 54.000 0.012 0.000 0.880 1027 D CB 0.426 41.227 40.800 0.002 0.000 1.182 1027 D HN 0.597 nan 8.370 nan 0.000 0.451 1028 I N -0.206 120.392 120.570 0.047 0.000 3.966 1028 I HA 0.239 4.540 4.170 0.219 0.000 0.324 1028 I C 1.016 177.169 176.117 0.060 0.000 1.517 1028 I CA -0.752 60.590 61.300 0.070 0.000 1.117 1028 I CB 0.311 38.380 38.000 0.115 0.000 1.190 1028 I HN 0.166 nan 8.210 nan 0.000 0.466 1029 K N 1.260 121.680 120.400 0.034 0.000 2.218 1029 K HA -0.178 4.274 4.320 0.219 0.000 0.205 1029 K C 1.072 177.692 176.600 0.034 0.000 1.046 1029 K CA 1.821 58.122 56.287 0.023 0.000 0.933 1029 K CB -0.143 32.359 32.500 0.004 0.000 0.728 1029 K HN 0.333 nan 8.250 nan 0.000 0.454 1030 D N 0.484 120.906 120.400 0.036 0.000 2.269 1030 D HA 0.030 4.801 4.640 0.219 0.000 0.208 1030 D C 0.424 176.751 176.300 0.044 0.000 0.963 1030 D CA 0.479 54.500 54.000 0.035 0.000 0.864 1030 D CB 0.150 40.968 40.800 0.030 0.000 0.936 1030 D HN 0.102 nan 8.370 nan 0.000 0.505 1031 I N 1.542 122.148 120.570 0.060 0.000 2.496 1031 I HA 0.064 4.366 4.170 0.219 0.000 0.285 1031 I C 1.282 177.445 176.117 0.077 0.000 1.080 1031 I CA -0.039 61.302 61.300 0.069 0.000 1.404 1031 I CB 0.867 38.922 38.000 0.091 0.000 1.403 1031 I HN -0.155 nan 8.210 nan 0.000 0.539 1032 R N 3.714 124.251 120.500 0.062 0.000 2.745 1032 R HA 0.268 4.739 4.340 0.219 0.000 0.214 1032 R C -0.071 176.266 176.300 0.062 0.000 1.456 1032 R CA -0.877 55.261 56.100 0.062 0.000 0.974 1032 R CB 0.167 30.493 30.300 0.043 0.000 2.210 1032 R HN 0.536 nan 8.270 nan 0.000 0.520 1033 E N 1.187 121.413 120.200 0.044 0.000 2.529 1033 E HA -0.015 4.467 4.350 0.219 0.000 0.259 1033 E C -1.224 175.382 176.600 0.010 0.000 0.966 1033 E CA 0.092 56.507 56.400 0.025 0.000 0.937 1033 E CB 0.538 30.243 29.700 0.009 0.000 0.923 1033 E HN 0.103 nan 8.360 nan 0.000 0.468 1034 V N 6.927 126.838 119.914 -0.006 0.000 2.487 1034 V HA 0.257 4.508 4.120 0.219 0.000 0.298 1034 V C 0.107 176.145 176.094 -0.094 0.000 1.028 1034 V CA -0.660 61.627 62.300 -0.021 0.000 0.860 1034 V CB 1.580 33.423 31.823 0.032 0.000 0.991 1034 V HN 0.626 nan 8.190 nan 0.000 0.427 1035 I N 4.351 124.862 120.570 -0.098 0.000 2.363 1035 I HA 0.279 4.581 4.170 0.219 0.000 0.292 1035 I C 1.085 177.089 176.117 -0.188 0.000 1.075 1035 I CA 0.167 61.377 61.300 -0.151 0.000 1.333 1035 I CB 1.225 39.158 38.000 -0.113 0.000 1.415 1035 I HN 0.749 nan 8.210 nan 0.000 0.502 1036 A N 4.836 127.452 122.820 -0.340 0.000 2.430 1036 A HA 0.100 4.552 4.320 0.219 0.000 0.243 1036 A C 1.038 178.456 177.584 -0.276 0.000 1.254 1036 A CA -0.229 51.631 52.037 -0.297 0.000 0.914 1036 A CB -0.506 18.132 19.000 -0.605 0.000 0.998 1036 A HN 0.827 nan 8.150 nan 0.000 0.515 1037 N N -0.571 117.960 118.700 -0.282 0.000 2.251 1037 N HA 0.280 5.151 4.740 0.219 0.000 0.217 1037 N C 0.793 176.291 175.510 -0.019 0.000 1.124 1037 N CA 0.408 53.413 53.050 -0.076 0.000 0.843 1037 N CB 0.155 38.651 38.487 0.015 0.000 1.024 1037 N HN 0.162 nan 8.380 nan 0.000 0.501 1038 G N -0.021 108.730 108.800 -0.081 0.000 2.611 1038 G HA2 0.132 4.224 3.960 0.219 0.000 0.273 1038 G HA3 0.132 4.224 3.960 0.219 0.000 0.273 1038 G C -0.300 174.564 174.900 -0.060 0.000 1.305 1038 G CA -0.636 44.415 45.100 -0.082 0.000 1.010 1038 G HN 0.301 nan 8.290 nan 0.000 0.509 1039 E N -0.965 119.198 120.200 -0.061 0.000 2.413 1039 E HA 0.131 4.613 4.350 0.219 0.000 0.263 1039 E C -0.280 176.263 176.600 -0.094 0.000 1.015 1039 E CA 0.395 56.775 56.400 -0.033 0.000 0.916 1039 E CB 1.142 30.828 29.700 -0.025 0.000 0.947 1039 E HN 0.202 nan 8.360 nan 0.000 0.440 1040 I N 3.714 124.265 120.570 -0.033 0.000 2.336 1040 I HA 0.203 4.504 4.170 0.219 0.000 0.292 1040 I C -0.369 175.693 176.117 -0.091 0.000 0.991 1040 I CA -0.667 60.550 61.300 -0.139 0.000 1.227 1040 I CB 0.834 38.832 38.000 -0.003 0.000 1.366 1040 I HN 0.245 nan 8.210 nan 0.000 0.466 1041 I N 6.840 127.284 120.570 -0.210 0.000 2.355 1041 I HA 0.298 4.600 4.170 0.219 0.000 0.288 1041 I C -0.512 175.509 176.117 -0.160 0.000 0.999 1041 I CA -0.520 60.725 61.300 -0.091 0.000 1.163 1041 I CB 0.826 38.767 38.000 -0.099 0.000 1.316 1041 I HN 0.314 nan 8.210 nan 0.000 0.454 1042 F N 6.235 126.143 119.950 -0.069 0.000 2.371 1042 F HA 0.545 5.204 4.527 0.219 0.000 0.363 1042 F C 0.537 176.330 175.800 -0.011 0.000 1.122 1042 F CA -0.314 57.662 58.000 -0.040 0.000 1.129 1042 F CB 0.787 39.764 39.000 -0.038 0.000 1.173 1042 F HN 0.360 nan 8.300 nan 0.000 0.489 1043 K N 3.903 124.379 120.400 0.127 0.000 2.622 1043 K HA 0.293 4.744 4.320 0.219 0.000 0.263 1043 K C -1.816 174.831 176.600 0.079 0.000 0.947 1043 K CA -0.673 55.665 56.287 0.085 0.000 0.885 1043 K CB 1.250 33.761 32.500 0.019 0.000 1.362 1043 K HN 0.532 nan 8.250 nan 0.000 0.413 1044 L N 3.230 124.507 121.223 0.090 0.000 2.433 1044 L HA 0.215 4.686 4.340 0.219 0.000 0.275 1044 L C -0.484 176.430 176.870 0.073 0.000 1.128 1044 L CA 0.223 55.136 54.840 0.121 0.000 0.875 1044 L CB 0.390 42.485 42.059 0.060 0.000 1.171 1044 L HN 0.584 nan 8.230 nan 0.000 0.463 1045 D N 2.583 123.047 120.400 0.107 0.000 2.542 1045 D HA 0.711 5.482 4.640 0.219 0.000 0.252 1045 D C -0.064 176.287 176.300 0.085 0.000 1.222 1045 D CA 0.151 54.184 54.000 0.055 0.000 0.895 1045 D CB 1.763 42.572 40.800 0.016 0.000 1.207 1045 D HN 0.691 nan 8.370 nan 0.000 0.558 1046 G N 2.179 111.012 108.800 0.054 0.000 2.343 1046 G HA2 0.142 4.233 3.960 0.219 0.000 0.289 1046 G HA3 0.142 4.233 3.960 0.219 0.000 0.289 1046 G C -1.421 173.491 174.900 0.021 0.000 1.295 1046 G CA -0.981 44.156 45.100 0.061 0.000 0.869 1046 G HN 0.331 nan 8.290 nan 0.000 0.522 1047 D N 0.842 121.256 120.400 0.024 0.000 2.508 1047 D HA 0.402 5.173 4.640 0.219 0.000 0.224 1047 D C 0.981 177.263 176.300 -0.029 0.000 1.171 1047 D CA -0.283 53.716 54.000 -0.001 0.000 1.006 1047 D CB -0.607 40.199 40.800 0.010 0.000 1.073 1047 D HN 0.649 nan 8.370 nan 0.000 0.513 1048 I N -1.333 119.187 120.570 -0.083 0.000 2.676 1048 I HA 0.494 4.796 4.170 0.219 0.000 0.309 1048 I C 0.259 176.306 176.117 -0.116 0.000 0.990 1048 I CA -1.047 60.147 61.300 -0.177 0.000 1.168 1048 I CB 1.530 39.332 38.000 -0.330 0.000 1.343 1048 I HN -0.014 nan 8.210 nan 0.000 0.482 1049 D N 2.968 123.297 120.400 -0.118 0.000 2.357 1049 D HA 0.028 4.800 4.640 0.219 0.000 0.242 1049 D C 0.848 177.112 176.300 -0.061 0.000 1.153 1049 D CA -0.182 53.780 54.000 -0.063 0.000 0.918 1049 D CB 1.378 42.152 40.800 -0.042 0.000 1.181 1049 D HN 0.751 nan 8.370 nan 0.000 0.435 1050 R N 0.518 121.001 120.500 -0.029 0.000 2.148 1050 R HA -0.113 4.359 4.340 0.219 0.000 0.227 1050 R C 1.609 177.911 176.300 0.003 0.000 1.103 1050 R CA 1.680 57.770 56.100 -0.017 0.000 0.983 1050 R CB -0.213 30.083 30.300 -0.007 0.000 0.874 1050 R HN 0.545 nan 8.270 nan 0.000 0.451 1051 T N -2.198 112.366 114.554 0.016 0.000 3.107 1051 T HA 0.010 4.491 4.350 0.219 0.000 0.249 1051 T C 0.613 175.379 174.700 0.109 0.000 1.096 1051 T CA -0.334 61.809 62.100 0.071 0.000 1.012 1051 T CB 0.131 69.041 68.868 0.070 0.000 0.977 1051 T HN 0.080 nan 8.240 nan 0.000 0.527 1052 Q N 1.790 121.586 119.800 -0.006 0.000 2.364 1052 Q HA 0.484 4.955 4.340 0.219 0.000 0.267 1052 Q C -0.608 175.402 176.000 0.016 0.000 0.999 1052 Q CA -0.277 55.461 55.803 -0.108 0.000 0.886 1052 Q CB 0.057 28.634 28.738 -0.268 0.000 1.243 1052 Q HN 0.609 nan 8.270 nan 0.000 0.415 1053 F N 1.525 121.422 119.950 -0.088 0.000 2.713 1053 F HA 0.751 5.409 4.527 0.218 0.000 0.311 1053 F C -1.709 174.056 175.800 -0.058 0.000 1.141 1053 F CA -1.318 56.617 58.000 -0.108 0.000 0.939 1053 F CB 1.136 40.035 39.000 -0.167 0.000 1.325 1053 F HN 0.299 nan 8.300 nan 0.000 0.453 1054 I N 1.207 121.844 120.570 0.112 0.000 2.722 1054 I HA 0.260 4.562 4.170 0.219 0.000 0.295 1054 I C -1.753 174.373 176.117 0.014 0.000 1.161 1054 I CA -0.988 60.355 61.300 0.073 0.000 1.032 1054 I CB 1.948 40.024 38.000 0.126 0.000 1.244 1054 I HN 0.844 nan 8.210 nan 0.000 0.421 1055 W N 5.982 127.296 121.300 0.023 0.000 2.520 1055 W HA 0.721 5.515 4.660 0.223 0.000 0.323 1055 W C -0.052 176.412 176.519 -0.092 0.000 1.062 1055 W CA -0.346 56.964 57.345 -0.058 0.000 1.215 1055 W CB 1.665 30.985 29.460 -0.233 0.000 1.340 1055 W HN 0.157 nan 8.180 nan 0.000 0.516 1056 M N 2.513 122.178 119.600 0.109 0.000 2.631 1056 M HA 0.488 5.100 4.480 0.219 0.000 0.288 1056 M C -0.857 175.408 176.300 -0.058 0.000 1.260 1056 M CA -1.134 54.177 55.300 0.018 0.000 0.842 1056 M CB 2.983 35.329 32.600 -0.424 0.000 1.743 1056 M HN 0.355 nan 8.290 nan 0.000 0.461 1057 K N 0.352 120.910 120.400 0.262 0.000 2.562 1057 K HA 0.368 4.820 4.320 0.219 0.000 0.267 1057 K C -1.381 175.525 176.600 0.512 0.000 0.938 1057 K CA -0.482 55.891 56.287 0.144 0.000 0.840 1057 K CB 1.513 33.781 32.500 -0.386 0.000 1.390 1057 K HN 0.773 nan 8.250 nan 0.000 0.428 1058 Y N 1.231 121.823 120.300 0.488 0.000 3.168 1058 Y HA -0.294 4.387 4.550 0.218 0.000 0.207 1058 Y C -0.457 175.832 175.900 0.649 0.000 1.280 1058 Y CA -0.109 58.303 58.100 0.521 0.000 1.235 1058 Y CB -1.255 37.499 38.460 0.491 0.000 1.370 1058 Y HN 0.480 nan 8.280 nan 0.000 0.537 1059 F N 1.655 122.039 119.950 0.724 0.000 2.543 1059 F HA 0.380 5.038 4.527 0.219 0.000 0.375 1059 F C 0.431 176.543 175.800 0.520 0.000 1.075 1059 F CA 0.316 58.730 58.000 0.690 0.000 1.225 1059 F CB 0.613 40.051 39.000 0.730 0.000 1.099 1059 F HN -0.006 nan 8.300 nan 0.000 0.561 1060 S N 6.256 121.859 115.700 -0.161 0.000 2.546 1060 S HA 0.695 5.297 4.470 0.219 0.000 0.274 1060 S C -0.965 173.436 174.600 -0.332 0.000 1.121 1060 S CA -0.736 57.374 58.200 -0.150 0.000 0.887 1060 S CB 1.742 64.933 63.200 -0.015 0.000 1.094 1060 S HN 0.513 nan 8.310 nan 0.000 0.474 1061 I N 2.009 122.403 120.570 -0.292 0.000 2.608 1061 I HA 0.581 4.882 4.170 0.219 0.000 0.295 1061 I C -1.600 174.340 176.117 -0.296 0.000 1.049 1061 I CA -0.653 60.587 61.300 -0.100 0.000 1.063 1061 I CB 1.688 39.798 38.000 0.183 0.000 1.248 1061 I HN 0.472 nan 8.210 nan 0.000 0.424 1062 F N 2.658 122.659 119.950 0.085 0.000 2.551 1062 F HA 0.324 4.982 4.527 0.219 0.000 0.316 1062 F C 0.333 176.228 175.800 0.157 0.000 1.089 1062 F CA -1.139 56.911 58.000 0.083 0.000 0.915 1062 F CB 1.268 40.276 39.000 0.013 0.000 1.186 1062 F HN 0.438 nan 8.300 nan 0.000 0.456 1063 N N 0.615 119.465 118.700 0.250 0.000 3.209 1063 N HA 0.276 5.147 4.740 0.219 0.000 0.309 1063 N C -0.597 175.016 175.510 0.173 0.000 1.384 1063 N CA -0.082 53.088 53.050 0.200 0.000 1.173 1063 N CB 0.861 39.296 38.487 -0.086 0.000 1.460 1063 N HN 0.651 nan 8.380 nan 0.000 0.534 1064 T N -1.494 113.192 114.554 0.220 0.000 2.831 1064 T HA 0.118 4.599 4.350 0.219 0.000 0.333 1064 T C -2.112 172.642 174.700 0.089 0.000 1.684 1064 T CA -0.766 61.416 62.100 0.136 0.000 1.049 1064 T CB 1.216 70.142 68.868 0.096 0.000 1.518 1064 T HN 0.314 nan 8.240 nan 0.000 0.491 1065 E N 3.388 123.631 120.200 0.072 0.000 2.129 1065 E HA 0.336 4.818 4.350 0.219 0.000 0.283 1065 E C -0.332 176.216 176.600 -0.088 0.000 1.080 1065 E CA -0.350 56.052 56.400 0.002 0.000 0.867 1065 E CB 0.344 30.091 29.700 0.079 0.000 1.056 1065 E HN 0.504 nan 8.360 nan 0.000 0.404 1066 L N 3.612 124.704 121.223 -0.219 0.000 2.426 1066 L HA 0.083 4.555 4.340 0.219 0.000 0.271 1066 L C 0.858 177.564 176.870 -0.273 0.000 1.169 1066 L CA -0.309 54.346 54.840 -0.309 0.000 0.836 1066 L CB 0.925 42.673 42.059 -0.517 0.000 1.112 1066 L HN 0.579 nan 8.230 nan 0.000 0.465 1067 S N 1.353 116.919 115.700 -0.224 0.000 2.617 1067 S HA 0.050 4.652 4.470 0.219 0.000 0.269 1067 S C 0.677 175.115 174.600 -0.271 0.000 1.292 1067 S CA -0.667 57.427 58.200 -0.178 0.000 1.010 1067 S CB 1.643 64.778 63.200 -0.108 0.000 0.944 1067 S HN 0.688 nan 8.310 nan 0.000 0.536 1068 Q N 1.163 120.843 119.800 -0.200 0.000 2.096 1068 Q HA -0.152 4.319 4.340 0.219 0.000 0.204 1068 Q C 2.149 178.050 176.000 -0.166 0.000 0.982 1068 Q CA 2.274 57.947 55.803 -0.216 0.000 0.850 1068 Q CB -0.828 27.919 28.738 0.016 0.000 0.901 1068 Q HN 0.865 nan 8.270 nan 0.000 0.422 1069 S N 0.731 116.368 115.700 -0.105 0.000 2.368 1069 S HA -0.147 4.455 4.470 0.219 0.000 0.225 1069 S C 1.784 176.330 174.600 -0.089 0.000 1.030 1069 S CA 1.467 59.624 58.200 -0.072 0.000 0.999 1069 S CB -0.378 62.791 63.200 -0.051 0.000 0.844 1069 S HN 0.551 nan 8.310 nan 0.000 0.459 1070 N N 0.981 119.604 118.700 -0.129 0.000 2.166 1070 N HA -0.062 4.810 4.740 0.219 0.000 0.186 1070 N C 1.866 177.286 175.510 -0.150 0.000 1.019 1070 N CA 1.557 54.525 53.050 -0.137 0.000 0.856 1070 N CB -0.320 38.060 38.487 -0.178 0.000 0.993 1070 N HN 0.540 nan 8.380 nan 0.000 0.426 1071 I N 0.952 121.383 120.570 -0.231 0.000 2.252 1071 I HA -0.196 4.106 4.170 0.219 0.000 0.245 1071 I C 2.482 178.596 176.117 -0.005 0.000 1.102 1071 I CA 0.979 62.154 61.300 -0.209 0.000 1.385 1071 I CB -0.296 37.386 38.000 -0.529 0.000 1.064 1071 I HN 0.249 nan 8.210 nan 0.000 0.414 1072 E N 0.958 121.141 120.200 -0.028 0.000 2.110 1072 E HA -0.300 4.182 4.350 0.219 0.000 0.193 1072 E C 1.999 178.668 176.600 0.115 0.000 0.988 1072 E CA 1.366 57.813 56.400 0.079 0.000 0.804 1072 E CB 0.117 29.841 29.700 0.041 0.000 0.745 1072 E HN 0.349 nan 8.360 nan 0.000 0.458 1073 E N 0.996 121.219 120.200 0.037 0.000 2.051 1073 E HA -0.221 4.260 4.350 0.219 0.000 0.192 1073 E C 2.076 178.689 176.600 0.021 0.000 0.991 1073 E CA 1.568 57.978 56.400 0.018 0.000 0.799 1073 E CB -0.204 29.488 29.700 -0.013 0.000 0.748 1073 E HN 0.167 nan 8.360 nan 0.000 0.449 1074 R N -1.164 119.357 120.500 0.034 0.000 2.115 1074 R HA -0.187 4.284 4.340 0.219 0.000 0.230 1074 R C 2.257 178.519 176.300 -0.064 0.000 1.111 1074 R CA 1.389 57.506 56.100 0.028 0.000 0.976 1074 R CB -0.539 29.824 30.300 0.105 0.000 0.870 1074 R HN 0.342 nan 8.270 nan 0.000 0.445 1075 Y N 1.570 121.745 120.300 -0.209 0.000 2.114 1075 Y HA -0.196 4.487 4.550 0.221 0.000 0.284 1075 Y C 1.594 177.453 175.900 -0.069 0.000 1.143 1075 Y CA 1.861 59.733 58.100 -0.379 0.000 1.135 1075 Y CB -0.122 38.281 38.460 -0.095 0.000 0.980 1075 Y HN -0.035 nan 8.280 nan 0.000 0.499 1076 K N 0.006 120.324 120.400 -0.137 0.000 2.057 1076 K HA -0.130 4.321 4.320 0.219 0.000 0.207 1076 K C 2.163 178.704 176.600 -0.100 0.000 1.049 1076 K CA 1.916 58.090 56.287 -0.189 0.000 0.931 1076 K CB -0.295 32.163 32.500 -0.070 0.000 0.714 1076 K HN 0.366 nan 8.250 nan 0.000 0.440 1077 I N 1.423 121.959 120.570 -0.056 0.000 2.226 1077 I HA -0.284 4.017 4.170 0.219 0.000 0.245 1077 I C 2.251 178.366 176.117 -0.003 0.000 1.100 1077 I CA 1.415 62.698 61.300 -0.029 0.000 1.374 1077 I CB -0.236 37.742 38.000 -0.035 0.000 1.057 1077 I HN 0.233 nan 8.210 nan 0.000 0.413 1078 Q N -0.109 119.691 119.800 0.001 0.000 2.378 1078 Q HA -0.052 4.419 4.340 0.219 0.000 0.205 1078 Q C 2.155 178.099 176.000 -0.094 0.000 0.954 1078 Q CA 0.930 56.765 55.803 0.054 0.000 0.901 1078 Q CB 0.111 29.021 28.738 0.288 0.000 0.981 1078 Q HN 0.389 nan 8.270 nan 0.000 0.483 1079 S N -0.082 115.552 115.700 -0.110 0.000 2.496 1079 S HA -0.034 4.568 4.470 0.219 0.000 0.224 1079 S C 0.144 174.609 174.600 -0.225 0.000 0.996 1079 S CA -0.129 57.932 58.200 -0.231 0.000 0.927 1079 S CB -0.065 62.969 63.200 -0.277 0.000 0.774 1079 S HN 0.352 nan 8.310 nan 0.000 0.524 1080 Y N 3.672 123.835 120.300 -0.228 0.000 2.425 1080 Y HA 0.369 5.050 4.550 0.218 0.000 0.331 1080 Y C 0.300 176.020 175.900 -0.300 0.000 1.157 1080 Y CA -0.270 57.692 58.100 -0.230 0.000 1.372 1080 Y CB 0.359 38.712 38.460 -0.179 0.000 1.253 1080 Y HN 0.133 nan 8.280 nan 0.000 0.536 1081 S N 2.933 117.701 115.700 -1.554 0.000 2.567 1081 S HA 0.217 4.818 4.470 0.219 0.000 0.270 1081 S C 0.014 173.838 174.600 -1.294 0.000 1.152 1081 S CA -0.409 56.976 58.200 -1.359 0.000 0.835 1081 S CB 1.223 63.501 63.200 -1.537 0.000 1.115 1081 S HN 0.810 nan 8.310 nan 0.000 0.459 1082 E N 0.341 120.024 120.200 -0.861 0.000 2.208 1082 E HA -0.010 4.471 4.350 0.219 0.000 0.193 1082 E C 0.221 176.609 176.600 -0.353 0.000 0.988 1082 E CA 0.491 56.630 56.400 -0.436 0.000 0.828 1082 E CB -0.498 29.099 29.700 -0.172 0.000 0.763 1082 E HN 0.758 nan 8.360 nan 0.000 0.478 1083 Y N 0.579 120.735 120.300 -0.238 0.000 2.374 1083 Y HA 0.557 5.237 4.550 0.216 0.000 0.322 1083 Y C 0.062 175.831 175.900 -0.219 0.000 1.275 1083 Y CA -1.719 56.257 58.100 -0.206 0.000 1.307 1083 Y CB 0.445 38.796 38.460 -0.182 0.000 1.282 1083 Y HN -0.240 nan 8.280 nan 0.000 0.509 1084 L N 2.175 123.421 121.223 0.038 0.000 2.456 1084 L HA 0.426 4.897 4.340 0.219 0.000 0.257 1084 L C 0.018 176.920 176.870 0.053 0.000 1.162 1084 L CA -0.689 54.138 54.840 -0.022 0.000 0.808 1084 L CB 0.709 42.716 42.059 -0.087 0.000 1.136 1084 L HN 0.681 nan 8.230 nan 0.000 0.466 1085 K N 0.043 120.449 120.400 0.010 0.000 2.281 1085 K HA 0.349 4.800 4.320 0.219 0.000 0.242 1085 K C -1.154 175.398 176.600 -0.081 0.000 0.971 1085 K CA -0.934 55.327 56.287 -0.043 0.000 0.834 1085 K CB 1.637 34.079 32.500 -0.098 0.000 1.181 1085 K HN 0.587 nan 8.250 nan 0.000 0.435 1086 D N -0.116 120.211 120.400 -0.121 0.000 2.506 1086 D HA -0.008 4.764 4.640 0.219 0.000 0.272 1086 D C 0.815 177.030 176.300 -0.142 0.000 1.214 1086 D CA -0.491 53.451 54.000 -0.097 0.000 1.067 1086 D CB 0.126 40.919 40.800 -0.011 0.000 1.117 1086 D HN 0.437 nan 8.370 nan 0.000 0.578 1087 F N -0.576 119.169 119.950 -0.342 0.000 2.161 1087 F HA -0.069 4.587 4.527 0.215 0.000 0.300 1087 F C 1.509 177.027 175.800 -0.470 0.000 1.089 1087 F CA 1.240 58.944 58.000 -0.493 0.000 1.282 1087 F CB -0.126 38.373 39.000 -0.836 0.000 1.010 1087 F HN 0.371 nan 8.300 nan 0.000 0.485 1088 W N -0.285 121.006 121.300 -0.016 0.000 2.678 1088 W HA 0.259 5.055 4.660 0.226 0.000 0.256 1088 W C 1.901 178.291 176.519 -0.216 0.000 1.280 1088 W CA 0.619 57.916 57.345 -0.080 0.000 1.345 1088 W CB -0.292 29.195 29.460 0.046 0.000 1.118 1088 W HN 0.217 nan 8.180 nan 0.000 0.629 1089 G N -0.521 108.021 108.800 -0.430 0.000 2.184 1089 G HA2 -0.247 3.845 3.960 0.219 0.000 0.206 1089 G HA3 -0.247 3.845 3.960 0.219 0.000 0.206 1089 G C 0.127 174.877 174.900 -0.249 0.000 0.995 1089 G CA -0.525 44.056 45.100 -0.864 0.000 0.651 1089 G HN 0.117 nan 8.290 nan 0.000 0.511 1090 N N 1.302 119.990 118.700 -0.020 0.000 2.434 1090 N HA 0.474 5.346 4.740 0.219 0.000 0.266 1090 N C -2.710 172.732 175.510 -0.112 0.000 1.223 1090 N CA -1.262 51.763 53.050 -0.041 0.000 0.972 1090 N CB 0.668 39.187 38.487 0.053 0.000 1.207 1090 N HN 0.036 nan 8.380 nan 0.000 0.525 1091 P HA 0.025 nan 4.420 nan 0.000 0.265 1091 P C -0.154 177.047 177.300 -0.166 0.000 1.193 1091 P CA -0.281 62.640 63.100 -0.298 0.000 0.765 1091 P CB 0.463 31.745 31.700 -0.697 0.000 0.823 1092 L N 4.480 125.618 121.223 -0.142 0.000 2.380 1092 L HA 0.299 4.771 4.340 0.219 0.000 0.273 1092 L C -0.260 176.512 176.870 -0.163 0.000 1.138 1092 L CA 0.835 55.586 54.840 -0.147 0.000 0.832 1092 L CB -0.124 41.788 42.059 -0.245 0.000 1.124 1092 L HN 0.271 nan 8.230 nan 0.000 0.454 1093 M N 4.211 123.802 119.600 -0.015 0.000 2.662 1093 M HA 0.334 4.945 4.480 0.219 0.000 0.310 1093 M C -0.788 175.432 176.300 -0.132 0.000 1.204 1093 M CA -0.454 54.789 55.300 -0.094 0.000 0.891 1093 M CB 1.562 34.143 32.600 -0.031 0.000 1.732 1093 M HN 0.391 nan 8.290 nan 0.000 0.467 1094 Y N 1.175 121.455 120.300 -0.034 0.000 2.300 1094 Y HA 0.180 4.859 4.550 0.216 0.000 0.328 1094 Y C 1.011 176.882 175.900 -0.047 0.000 1.270 1094 Y CA 0.304 58.380 58.100 -0.040 0.000 1.352 1094 Y CB 0.549 38.984 38.460 -0.043 0.000 1.286 1094 Y HN 0.763 nan 8.280 nan 0.000 0.536 1095 N N 0.419 119.205 118.700 0.143 0.000 2.725 1095 N HA -0.253 4.619 4.740 0.219 0.000 0.249 1095 N C -0.743 174.754 175.510 -0.021 0.000 1.103 1095 N CA 0.955 54.043 53.050 0.062 0.000 0.707 1095 N CB -0.974 37.550 38.487 0.063 0.000 1.043 1095 N HN 0.585 nan 8.380 nan 0.000 0.553 1096 K N 0.853 121.177 120.400 -0.127 0.000 2.378 1096 K HA 0.302 4.754 4.320 0.219 0.000 0.252 1096 K C -0.593 175.721 176.600 -0.476 0.000 0.931 1096 K CA -0.498 55.592 56.287 -0.328 0.000 0.794 1096 K CB 1.577 33.782 32.500 -0.492 0.000 1.181 1096 K HN 0.012 nan 8.250 nan 0.000 0.425 1097 E N 2.652 122.661 120.200 -0.319 0.000 2.344 1097 E HA 0.107 4.588 4.350 0.219 0.000 0.270 1097 E C -1.176 175.231 176.600 -0.322 0.000 1.021 1097 E CA 0.214 56.505 56.400 -0.182 0.000 0.887 1097 E CB 0.625 30.288 29.700 -0.063 0.000 0.997 1097 E HN 0.372 nan 8.360 nan 0.000 0.429 1098 Y N 1.057 121.391 120.300 0.057 0.000 2.534 1098 Y HA 0.294 4.978 4.550 0.225 0.000 0.345 1098 Y C -0.715 175.244 175.900 0.098 0.000 1.031 1098 Y CA -1.176 57.002 58.100 0.129 0.000 1.022 1098 Y CB 1.306 39.972 38.460 0.343 0.000 1.292 1098 Y HN 0.453 nan 8.280 nan 0.000 0.459 1099 Y N 1.670 122.234 120.300 0.440 0.000 2.354 1099 Y HA 0.531 5.212 4.550 0.218 0.000 0.322 1099 Y C 0.091 176.114 175.900 0.205 0.000 1.253 1099 Y CA -0.729 57.571 58.100 0.333 0.000 1.272 1099 Y CB 1.109 39.696 38.460 0.211 0.000 1.255 1099 Y HN 0.325 nan 8.280 nan 0.000 0.500 1100 M N 2.562 122.312 119.600 0.250 0.000 2.364 1100 M HA 0.330 4.941 4.480 0.219 0.000 0.334 1100 M C -1.503 174.871 176.300 0.123 0.000 1.107 1100 M CA -0.596 54.660 55.300 -0.074 0.000 0.988 1100 M CB 1.637 33.907 32.600 -0.550 0.000 1.673 1100 M HN 0.580 nan 8.290 nan 0.000 0.441 1101 F N 3.191 123.104 119.950 -0.062 0.000 2.520 1101 F HA 0.498 5.156 4.527 0.218 0.000 0.322 1101 F C -0.854 174.932 175.800 -0.022 0.000 1.103 1101 F CA -0.678 57.292 58.000 -0.049 0.000 0.926 1101 F CB 1.196 40.098 39.000 -0.164 0.000 1.154 1101 F HN 0.477 nan 8.300 nan 0.000 0.453 1102 N N 4.217 122.340 118.700 -0.962 0.000 2.443 1102 N HA 0.356 5.228 4.740 0.219 0.000 0.269 1102 N C 0.300 175.065 175.510 -1.242 0.000 0.985 1102 N CA 0.248 52.631 53.050 -1.112 0.000 0.921 1102 N CB 2.075 39.922 38.487 -1.068 0.000 1.195 1102 N HN 0.894 nan 8.380 nan 0.000 0.492 1103 A N 2.892 125.223 122.820 -0.816 0.000 2.019 1103 A HA -0.025 4.426 4.320 0.219 0.000 0.219 1103 A C 1.684 179.073 177.584 -0.325 0.000 1.164 1103 A CA 1.805 53.589 52.037 -0.422 0.000 0.644 1103 A CB -0.474 18.452 19.000 -0.123 0.000 0.805 1103 A HN 0.700 nan 8.150 nan 0.000 0.449 1104 G N -1.204 107.371 108.800 -0.375 0.000 2.880 1104 G HA2 0.174 4.266 3.960 0.219 0.000 0.209 1104 G HA3 0.174 4.266 3.960 0.219 0.000 0.209 1104 G C 0.114 174.886 174.900 -0.213 0.000 1.157 1104 G CA 0.370 45.330 45.100 -0.234 0.000 0.779 1104 G HN 0.574 nan 8.290 nan 0.000 0.539 1105 N N -0.278 118.235 118.700 -0.312 0.000 2.673 1105 N HA 0.142 5.013 4.740 0.219 0.000 0.265 1105 N C 0.997 176.339 175.510 -0.281 0.000 1.709 1105 N CA -0.373 52.542 53.050 -0.226 0.000 0.792 1105 N CB 1.064 39.435 38.487 -0.193 0.000 1.286 1105 N HN 0.270 nan 8.380 nan 0.000 0.506 1106 K N -0.690 119.566 120.400 -0.240 0.000 2.218 1106 K HA -0.119 4.333 4.320 0.219 0.000 0.205 1106 K C 0.391 177.030 176.600 0.065 0.000 1.046 1106 K CA 1.279 57.482 56.287 -0.138 0.000 0.933 1106 K CB 0.002 32.602 32.500 0.168 0.000 0.728 1106 K HN 0.107 nan 8.250 nan 0.000 0.454 1107 N N 0.542 119.266 118.700 0.040 0.000 2.268 1107 N HA 0.086 4.957 4.740 0.219 0.000 0.204 1107 N C -0.767 174.796 175.510 0.087 0.000 1.124 1107 N CA 0.071 53.177 53.050 0.093 0.000 0.838 1107 N CB 0.847 39.382 38.487 0.080 0.000 0.994 1107 N HN 0.117 nan 8.380 nan 0.000 0.489 1108 S N 0.349 116.066 115.700 0.027 0.000 2.549 1108 S HA 0.587 5.189 4.470 0.219 0.000 0.297 1108 S C -0.683 173.988 174.600 0.119 0.000 1.115 1108 S CA -0.654 57.554 58.200 0.015 0.000 1.059 1108 S CB 1.225 64.386 63.200 -0.066 0.000 1.046 1108 S HN 0.349 nan 8.310 nan 0.000 0.506 1109 Y N -0.912 119.390 120.300 0.003 0.000 2.588 1109 Y HA 0.747 5.427 4.550 0.217 0.000 0.343 1109 Y C -1.319 174.586 175.900 0.009 0.000 1.065 1109 Y CA -1.429 56.688 58.100 0.028 0.000 1.038 1109 Y CB 0.485 38.976 38.460 0.052 0.000 1.297 1109 Y HN 0.473 nan 8.280 nan 0.000 0.467 1110 I N 3.114 123.781 120.570 0.162 0.000 2.395 1110 I HA 0.385 4.687 4.170 0.219 0.000 0.289 1110 I C -0.500 175.670 176.117 0.089 0.000 1.023 1110 I CA -0.368 60.920 61.300 -0.019 0.000 1.350 1110 I CB 1.364 39.224 38.000 -0.232 0.000 1.409 1110 I HN 0.552 nan 8.210 nan 0.000 0.507 1111 K N 5.832 126.216 120.400 -0.027 0.000 2.482 1111 K HA 0.419 4.870 4.320 0.219 0.000 0.251 1111 K C -1.297 175.293 176.600 -0.018 0.000 0.936 1111 K CA -0.715 55.586 56.287 0.023 0.000 0.791 1111 K CB 1.455 33.979 32.500 0.040 0.000 1.213 1111 K HN 0.379 nan 8.250 nan 0.000 0.428 1112 L N 3.632 124.847 121.223 -0.014 0.000 2.513 1112 L HA 0.197 4.669 4.340 0.219 0.000 0.272 1112 L C -0.052 176.851 176.870 0.055 0.000 1.187 1112 L CA 0.675 55.529 54.840 0.025 0.000 0.895 1112 L CB 0.138 42.228 42.059 0.051 0.000 1.147 1112 L HN 0.656 nan 8.230 nan 0.000 0.483 1113 K N 4.922 125.376 120.400 0.089 0.000 2.401 1113 K HA 0.016 4.467 4.320 0.219 0.000 0.278 1113 K C -0.022 176.634 176.600 0.093 0.000 1.018 1113 K CA -0.203 56.139 56.287 0.091 0.000 0.981 1113 K CB 0.396 32.986 32.500 0.150 0.000 0.933 1113 K HN 0.644 nan 8.250 nan 0.000 0.477 1114 K N 3.536 123.979 120.400 0.072 0.000 2.472 1114 K HA -0.121 4.331 4.320 0.219 0.000 0.280 1114 K C -0.650 175.999 176.600 0.082 0.000 1.028 1114 K CA 0.616 56.943 56.287 0.067 0.000 1.045 1114 K CB 0.240 32.772 32.500 0.054 0.000 0.902 1114 K HN 0.718 nan 8.250 nan 0.000 0.478 1115 D N 0.763 121.214 120.400 0.085 0.000 3.077 1115 D HA -0.178 4.594 4.640 0.219 0.000 0.217 1115 D C -0.908 175.461 176.300 0.115 0.000 1.162 1115 D CA 1.359 55.415 54.000 0.094 0.000 0.943 1115 D CB -1.028 39.817 40.800 0.075 0.000 1.122 1115 D HN 0.363 nan 8.370 nan 0.000 0.413 1116 S N -0.529 115.254 115.700 0.138 0.000 2.548 1116 S HA 0.509 5.111 4.470 0.219 0.000 0.276 1116 S C -2.643 172.085 174.600 0.212 0.000 1.129 1116 S CA -1.168 57.127 58.200 0.159 0.000 0.931 1116 S CB 2.055 65.338 63.200 0.139 0.000 1.068 1116 S HN -0.179 nan 8.310 nan 0.000 0.480 1117 P HA 0.197 nan 4.420 nan 0.000 0.228 1117 P C -0.272 177.220 177.300 0.320 0.000 1.748 1117 P CA -0.011 63.288 63.100 0.331 0.000 0.909 1117 P CB -0.615 31.315 31.700 0.384 0.000 1.882 1118 V N -3.030 117.046 119.914 0.270 0.000 3.130 1118 V HA 0.943 5.195 4.120 0.219 0.000 0.310 1118 V C -0.192 176.065 176.094 0.271 0.000 1.158 1118 V CA -1.209 61.257 62.300 0.277 0.000 1.029 1118 V CB 1.770 33.741 31.823 0.247 0.000 1.057 1118 V HN 0.126 nan 8.190 nan 0.000 0.436 1119 G N 1.498 110.498 108.800 0.334 0.000 2.384 1119 G HA2 0.631 4.723 3.960 0.219 0.000 0.316 1119 G HA3 0.631 4.723 3.960 0.219 0.000 0.316 1119 G C -0.441 174.566 174.900 0.178 0.000 1.160 1119 G CA -0.363 44.881 45.100 0.240 0.000 0.936 1119 G HN 1.077 nan 8.290 nan 0.000 0.455 1120 E N 2.100 122.277 120.200 -0.038 0.000 2.250 1120 E HA 0.523 5.005 4.350 0.219 0.000 0.269 1120 E C -0.626 175.831 176.600 -0.238 0.000 1.018 1120 E CA -0.963 55.241 56.400 -0.327 0.000 0.873 1120 E CB 1.706 31.186 29.700 -0.366 0.000 1.134 1120 E HN 0.123 nan 8.360 nan 0.000 0.403 1121 I N 2.702 123.104 120.570 -0.281 0.000 2.339 1121 I HA 0.301 4.603 4.170 0.219 0.000 0.290 1121 I C 0.020 175.940 176.117 -0.328 0.000 0.994 1121 I CA -0.617 60.539 61.300 -0.240 0.000 1.191 1121 I CB 0.401 38.331 38.000 -0.118 0.000 1.343 1121 I HN 0.587 nan 8.210 nan 0.000 0.458 1122 L N 4.488 125.379 121.223 -0.554 0.000 2.298 1122 L HA 0.572 5.044 4.340 0.219 0.000 0.268 1122 L C 0.399 176.990 176.870 -0.466 0.000 1.010 1122 L CA -0.771 53.724 54.840 -0.575 0.000 0.812 1122 L CB 1.826 43.410 42.059 -0.792 0.000 1.331 1122 L HN 0.443 nan 8.230 nan 0.000 0.450 1123 T N 0.686 115.132 114.554 -0.179 0.000 2.806 1123 T HA 0.328 4.809 4.350 0.219 0.000 0.290 1123 T C 0.053 174.908 174.700 0.258 0.000 0.966 1123 T CA -0.563 61.554 62.100 0.028 0.000 1.060 1123 T CB 0.640 69.526 68.868 0.029 0.000 0.927 1123 T HN 0.359 nan 8.240 nan 0.000 0.485 1124 R N 2.231 122.916 120.500 0.308 0.000 2.570 1124 R HA 0.217 4.689 4.340 0.219 0.000 0.277 1124 R C 0.986 177.393 176.300 0.177 0.000 1.039 1124 R CA -0.230 56.048 56.100 0.297 0.000 1.065 1124 R CB 0.296 30.718 30.300 0.202 0.000 0.964 1124 R HN 0.761 nan 8.270 nan 0.000 0.428 1125 S N 2.315 118.095 115.700 0.133 0.000 2.634 1125 S HA 0.353 4.954 4.470 0.219 0.000 0.261 1125 S C -0.067 174.574 174.600 0.068 0.000 1.271 1125 S CA -0.714 57.537 58.200 0.085 0.000 0.985 1125 S CB 1.153 64.391 63.200 0.063 0.000 0.968 1125 S HN 0.669 nan 8.310 nan 0.000 0.568 1126 K N -1.094 119.322 120.400 0.027 0.000 2.469 1126 K HA 0.455 4.906 4.320 0.219 0.000 0.268 1126 K C -1.270 175.269 176.600 -0.102 0.000 1.027 1126 K CA -1.134 55.138 56.287 -0.026 0.000 0.893 1126 K CB 0.169 32.660 32.500 -0.014 0.000 1.460 1126 K HN 0.470 nan 8.250 nan 0.000 0.449 1127 Y N 2.405 122.417 120.300 -0.480 0.000 2.944 1127 Y HA -0.129 4.553 4.550 0.219 0.000 0.340 1127 Y C 0.212 175.992 175.900 -0.200 0.000 1.275 1127 Y CA 0.539 58.349 58.100 -0.482 0.000 1.590 1127 Y CB 0.099 38.133 38.460 -0.710 0.000 1.218 1127 Y HN 0.673 nan 8.280 nan 0.000 0.576 1128 N N 3.139 121.496 118.700 -0.571 0.000 2.335 1128 N HA -0.067 4.805 4.740 0.219 0.000 0.197 1128 N C -0.241 174.817 175.510 -0.753 0.000 1.045 1128 N CA 0.397 53.154 53.050 -0.489 0.000 0.928 1128 N CB -0.405 37.928 38.487 -0.255 0.000 1.118 1128 N HN 0.618 nan 8.380 nan 0.000 0.471 1129 Q N 1.871 121.211 119.800 -0.768 0.000 2.943 1129 Q HA -0.136 4.336 4.340 0.219 0.000 0.398 1129 Q C -0.325 175.334 176.000 -0.570 0.000 1.173 1129 Q CA 0.749 56.218 55.803 -0.556 0.000 1.154 1129 Q CB -0.674 27.887 28.738 -0.295 0.000 1.158 1129 Q HN 0.335 nan 8.270 nan 0.000 0.479 1130 N N 0.900 119.457 118.700 -0.238 0.000 2.807 1130 N HA 0.098 4.970 4.740 0.219 0.000 0.259 1130 N C -0.830 174.648 175.510 -0.052 0.000 1.149 1130 N CA -0.079 52.886 53.050 -0.141 0.000 1.042 1130 N CB 0.478 38.901 38.487 -0.107 0.000 1.367 1130 N HN 0.283 nan 8.380 nan 0.000 0.516 1131 S N 1.813 117.563 115.700 0.083 0.000 2.640 1131 S HA 0.109 4.710 4.470 0.219 0.000 0.320 1131 S C 1.119 175.733 174.600 0.024 0.000 1.097 1131 S CA -0.892 57.338 58.200 0.050 0.000 1.092 1131 S CB 0.499 63.811 63.200 0.186 0.000 0.988 1131 S HN 0.477 nan 8.310 nan 0.000 0.470 1132 K N 5.063 125.374 120.400 -0.148 0.000 2.439 1132 K HA -0.059 4.392 4.320 0.219 0.000 0.197 1132 K C 0.770 177.412 176.600 0.070 0.000 1.041 1132 K CA 1.155 57.408 56.287 -0.057 0.000 0.970 1132 K CB -0.663 31.781 32.500 -0.093 0.000 0.773 1132 K HN 0.819 nan 8.250 nan 0.000 0.479 1133 Y N 1.518 121.803 120.300 -0.026 0.000 2.337 1133 Y HA 0.097 4.779 4.550 0.219 0.000 0.293 1133 Y C 1.513 177.328 175.900 -0.142 0.000 1.123 1133 Y CA -0.103 57.946 58.100 -0.085 0.000 1.201 1133 Y CB 0.155 38.541 38.460 -0.124 0.000 1.011 1133 Y HN 0.029 nan 8.280 nan 0.000 0.545 1134 I N -1.913 118.639 120.570 -0.030 0.000 2.785 1134 I HA 0.473 4.775 4.170 0.219 0.000 0.302 1134 I C -1.050 175.026 176.117 -0.068 0.000 1.069 1134 I CA -0.975 60.219 61.300 -0.177 0.000 1.045 1134 I CB 2.343 39.991 38.000 -0.587 0.000 1.236 1134 I HN -0.087 nan 8.210 nan 0.000 0.429 1135 N N 3.572 122.298 118.700 0.044 0.000 2.446 1135 N HA 0.496 5.368 4.740 0.219 0.000 0.272 1135 N C -2.138 173.507 175.510 0.225 0.000 1.127 1135 N CA -0.272 52.833 53.050 0.092 0.000 0.896 1135 N CB 2.829 41.388 38.487 0.120 0.000 1.658 1135 N HN 0.830 nan 8.380 nan 0.000 0.483 1136 Y N -0.266 120.164 120.300 0.218 0.000 2.677 1136 Y HA 0.564 5.246 4.550 0.219 0.000 0.334 1136 Y C -1.661 174.385 175.900 0.244 0.000 1.196 1136 Y CA -1.135 57.121 58.100 0.261 0.000 1.059 1136 Y CB 0.629 39.292 38.460 0.339 0.000 1.315 1136 Y HN 0.249 nan 8.280 nan 0.000 0.455 1137 R N 1.518 122.268 120.500 0.416 0.000 2.486 1137 R HA 0.312 4.784 4.340 0.219 0.000 0.286 1137 R C -1.088 175.459 176.300 0.411 0.000 0.999 1137 R CA -0.822 55.448 56.100 0.282 0.000 0.993 1137 R CB 1.103 31.525 30.300 0.203 0.000 1.084 1137 R HN 0.809 nan 8.270 nan 0.000 0.487 1138 D N 2.203 122.765 120.400 0.269 0.000 2.414 1138 D HA 0.037 4.808 4.640 0.219 0.000 0.242 1138 D C 1.202 177.480 176.300 -0.038 0.000 1.129 1138 D CA 0.167 54.285 54.000 0.196 0.000 0.885 1138 D CB 1.231 42.085 40.800 0.090 0.000 1.198 1138 D HN 0.333 nan 8.370 nan 0.000 0.437 1139 L N 1.155 122.241 121.223 -0.229 0.000 2.500 1139 L HA 0.021 4.492 4.340 0.219 0.000 0.219 1139 L C 0.460 177.042 176.870 -0.480 0.000 1.057 1139 L CA 0.204 54.752 54.840 -0.487 0.000 0.854 1139 L CB 0.105 41.613 42.059 -0.918 0.000 1.078 1139 L HN 0.329 nan 8.230 nan 0.000 0.480 1140 Y N 3.336 123.349 120.300 -0.479 0.000 2.735 1140 Y HA 0.422 5.102 4.550 0.217 0.000 0.354 1140 Y C 0.286 175.592 175.900 -0.990 0.000 1.288 1140 Y CA -1.273 56.163 58.100 -1.106 0.000 1.836 1140 Y CB -0.854 37.312 38.460 -0.490 0.000 1.920 1140 Y HN 0.041 nan 8.280 nan 0.000 0.438 1141 I N -2.209 117.920 120.570 -0.735 0.000 3.102 1141 I HA 0.990 5.291 4.170 0.219 0.000 0.310 1141 I C 0.391 176.389 176.117 -0.198 0.000 1.246 1141 I CA -1.238 59.797 61.300 -0.442 0.000 0.979 1141 I CB 2.247 39.838 38.000 -0.682 0.000 1.267 1141 I HN 0.388 nan 8.210 nan 0.000 0.451 1142 G N 2.181 110.924 108.800 -0.096 0.000 2.660 1142 G HA2 -0.087 4.005 3.960 0.219 0.000 0.247 1142 G HA3 -0.087 4.005 3.960 0.219 0.000 0.247 1142 G C -0.802 174.276 174.900 0.296 0.000 1.328 1142 G CA -0.633 44.632 45.100 0.273 0.000 0.884 1142 G HN 0.885 nan 8.290 nan 0.000 0.531 1143 E N 0.682 120.991 120.200 0.182 0.000 2.404 1143 E HA 0.259 4.741 4.350 0.219 0.000 0.261 1143 E C 0.452 177.020 176.600 -0.052 0.000 1.074 1143 E CA 0.166 56.539 56.400 -0.045 0.000 0.917 1143 E CB 0.557 29.979 29.700 -0.463 0.000 0.965 1143 E HN 0.481 nan 8.360 nan 0.000 0.433 1144 K N 2.388 122.731 120.400 -0.096 0.000 2.262 1144 K HA 0.286 4.737 4.320 0.219 0.000 0.282 1144 K C -0.396 176.138 176.600 -0.111 0.000 1.066 1144 K CA -0.238 55.988 56.287 -0.102 0.000 0.901 1144 K CB 0.438 32.941 32.500 0.006 0.000 1.089 1144 K HN 0.222 nan 8.250 nan 0.000 0.476 1145 F N 2.367 122.353 119.950 0.061 0.000 2.411 1145 F HA 0.563 5.228 4.527 0.230 0.000 0.324 1145 F C 0.345 176.153 175.800 0.014 0.000 1.086 1145 F CA -0.965 57.083 58.000 0.080 0.000 1.028 1145 F CB 0.933 40.051 39.000 0.197 0.000 1.284 1145 F HN 0.333 nan 8.300 nan 0.000 0.501 1146 I N 1.655 122.313 120.570 0.146 0.000 2.680 1146 I HA 0.408 4.710 4.170 0.219 0.000 0.291 1146 I C -1.545 174.620 176.117 0.080 0.000 1.244 1146 I CA -0.407 60.920 61.300 0.045 0.000 1.042 1146 I CB 1.347 39.271 38.000 -0.127 0.000 1.277 1146 I HN 0.384 nan 8.210 nan 0.000 0.423 1147 I N 7.106 127.718 120.570 0.070 0.000 2.342 1147 I HA 0.454 4.755 4.170 0.219 0.000 0.291 1147 I C -0.255 175.992 176.117 0.216 0.000 1.010 1147 I CA -0.664 60.678 61.300 0.069 0.000 1.308 1147 I CB 0.743 38.664 38.000 -0.133 0.000 1.400 1147 I HN 0.376 nan 8.210 nan 0.000 0.488 1148 R N 5.431 126.072 120.500 0.236 0.000 2.562 1148 R HA 0.446 4.917 4.340 0.219 0.000 0.298 1148 R C -0.366 176.000 176.300 0.110 0.000 0.961 1148 R CA -1.007 55.216 56.100 0.205 0.000 0.881 1148 R CB 1.735 32.160 30.300 0.208 0.000 1.159 1148 R HN 0.598 nan 8.270 nan 0.000 0.450 1149 R N 1.754 122.122 120.500 -0.219 0.000 2.491 1149 R HA 0.051 4.523 4.340 0.219 0.000 0.283 1149 R C -0.247 175.900 176.300 -0.256 0.000 1.072 1149 R CA 0.090 55.897 56.100 -0.488 0.000 1.048 1149 R CB 0.661 30.453 30.300 -0.846 0.000 0.983 1149 R HN 0.424 nan 8.270 nan 0.000 0.450 1150 K N 2.738 122.959 120.400 -0.297 0.000 2.248 1150 K HA 0.202 4.653 4.320 0.219 0.000 0.281 1150 K C -1.419 175.085 176.600 -0.160 0.000 1.054 1150 K CA -0.041 56.028 56.287 -0.365 0.000 0.903 1150 K CB 0.648 32.827 32.500 -0.536 0.000 1.077 1150 K HN 0.872 nan 8.250 nan 0.000 0.474 1159 D N 0.726 121.216 120.400 0.150 0.000 2.650 1159 D HA 0.483 5.255 4.640 0.219 0.000 0.255 1159 D C 1.342 177.709 176.300 0.112 0.000 1.135 1159 D CA -0.572 53.523 54.000 0.158 0.000 1.099 1159 D CB 1.719 42.647 40.800 0.212 0.000 1.273 1159 D HN 0.211 nan 8.370 nan 0.000 0.628 1160 I N 0.565 121.162 120.570 0.045 0.000 3.810 1160 I HA 0.005 4.306 4.170 0.219 0.000 0.322 1160 I C -0.203 175.804 176.117 -0.183 0.000 1.288 1160 I CA 0.003 61.234 61.300 -0.116 0.000 1.143 1160 I CB 0.164 38.055 38.000 -0.180 0.000 1.012 1160 I HN 0.063 nan 8.210 nan 0.000 0.423 1161 V N 1.901 121.613 119.914 -0.337 0.000 4.254 1161 V HA -0.303 3.948 4.120 0.219 0.000 0.486 1161 V C 0.375 176.376 176.094 -0.155 0.000 0.683 1161 V CA 0.944 62.954 62.300 -0.484 0.000 1.904 1161 V CB -1.526 29.863 31.823 -0.723 0.000 2.271 1161 V HN 0.542 nan 8.190 nan 0.000 0.503 1162 R N 3.651 124.118 120.500 -0.055 0.000 2.787 1162 R HA 0.587 5.059 4.340 0.219 0.000 0.271 1162 R C -0.016 176.224 176.300 -0.100 0.000 0.993 1162 R CA -1.213 54.861 56.100 -0.043 0.000 0.993 1162 R CB 1.556 31.855 30.300 -0.001 0.000 1.155 1162 R HN 0.640 nan 8.270 nan 0.000 0.486 1163 K N 2.302 122.626 120.400 -0.126 0.000 2.524 1163 K HA -0.122 4.329 4.320 0.219 0.000 0.279 1163 K C 0.025 176.524 176.600 -0.168 0.000 0.993 1163 K CA 0.590 56.778 56.287 -0.164 0.000 1.030 1163 K CB 0.244 32.643 32.500 -0.168 0.000 0.891 1163 K HN 0.616 nan 8.250 nan 0.000 0.488 1164 E N -0.298 119.766 120.200 -0.227 0.000 4.028 1164 E HA -0.190 4.291 4.350 0.219 0.000 0.343 1164 E C -0.712 175.652 176.600 -0.393 0.000 0.700 1164 E CA 0.975 57.202 56.400 -0.290 0.000 1.288 1164 E CB -1.165 28.416 29.700 -0.199 0.000 1.677 1164 E HN 0.707 nan 8.360 nan 0.000 0.424 1165 D N 0.005 120.247 120.400 -0.264 0.000 2.399 1165 D HA 0.158 4.930 4.640 0.219 0.000 0.241 1165 D C 0.156 176.259 176.300 -0.329 0.000 1.133 1165 D CA 0.424 54.311 54.000 -0.189 0.000 0.890 1165 D CB 0.176 40.984 40.800 0.013 0.000 1.201 1165 D HN -0.003 nan 8.370 nan 0.000 0.432 1166 Y N 1.060 121.326 120.300 -0.057 0.000 2.320 1166 Y HA 0.382 5.071 4.550 0.231 0.000 0.334 1166 Y C 0.777 176.579 175.900 -0.163 0.000 1.055 1166 Y CA -0.604 57.427 58.100 -0.115 0.000 1.143 1166 Y CB 0.729 39.111 38.460 -0.130 0.000 1.193 1166 Y HN 0.188 nan 8.280 nan 0.000 0.477 1167 I N -1.086 119.444 120.570 -0.067 0.000 3.343 1167 I HA 0.638 4.939 4.170 0.219 0.000 0.315 1167 I C -1.911 174.064 176.117 -0.236 0.000 1.153 1167 I CA -1.429 59.796 61.300 -0.125 0.000 0.952 1167 I CB 2.823 40.837 38.000 0.024 0.000 1.287 1167 I HN 0.409 nan 8.210 nan 0.000 0.472 1168 Y N 1.524 121.852 120.300 0.047 0.000 2.409 1168 Y HA 0.594 5.277 4.550 0.222 0.000 0.343 1168 Y C -0.809 175.100 175.900 0.016 0.000 0.973 1168 Y CA -1.043 57.063 58.100 0.010 0.000 1.064 1168 Y CB 2.409 40.870 38.460 0.001 0.000 1.207 1168 Y HN 0.399 nan 8.280 nan 0.000 0.452 1169 L N 4.650 125.981 121.223 0.180 0.000 2.264 1169 L HA 0.504 4.975 4.340 0.219 0.000 0.287 1169 L C -1.150 175.871 176.870 0.251 0.000 1.039 1169 L CA -0.138 54.815 54.840 0.188 0.000 0.829 1169 L CB -0.038 42.110 42.059 0.148 0.000 1.211 1169 L HN 0.545 nan 8.230 nan 0.000 0.427 1170 D N 4.089 124.618 120.400 0.216 0.000 2.392 1170 D HA 0.687 5.459 4.640 0.219 0.000 0.246 1170 D C -0.805 175.580 176.300 0.142 0.000 1.013 1170 D CA 0.256 54.330 54.000 0.124 0.000 0.993 1170 D CB 1.660 42.412 40.800 -0.080 0.000 1.219 1170 D HN 0.335 nan 8.370 nan 0.000 0.538 1171 F N -1.740 118.019 119.950 -0.318 0.000 2.686 1171 F HA 0.635 5.293 4.527 0.219 0.000 0.311 1171 F C -1.769 173.690 175.800 -0.568 0.000 1.128 1171 F CA -1.464 56.184 58.000 -0.588 0.000 0.946 1171 F CB 0.559 39.092 39.000 -0.778 0.000 1.336 1171 F HN 0.004 nan 8.300 nan 0.000 0.457 1172 F N 2.173 121.987 119.950 -0.227 0.000 2.405 1172 F HA 0.434 5.095 4.527 0.225 0.000 0.355 1172 F C 0.054 175.623 175.800 -0.386 0.000 1.121 1172 F CA -0.553 57.257 58.000 -0.316 0.000 1.112 1172 F CB 0.994 39.886 39.000 -0.182 0.000 1.126 1172 F HN 0.558 nan 8.300 nan 0.000 0.481 1173 N N 4.344 122.759 118.700 -0.474 0.000 2.524 1173 N HA 0.393 5.264 4.740 0.219 0.000 0.261 1173 N C -1.118 174.103 175.510 -0.482 0.000 0.998 1173 N CA -0.562 52.097 53.050 -0.652 0.000 0.915 1173 N CB 0.473 38.044 38.487 -1.525 0.000 1.187 1173 N HN 0.444 nan 8.380 nan 0.000 0.507 1174 L N 2.742 123.809 121.223 -0.260 0.000 3.677 1174 L HA -0.299 4.173 4.340 0.219 0.000 0.593 1174 L C 0.785 177.581 176.870 -0.123 0.000 1.057 1174 L CA 0.599 55.339 54.840 -0.167 0.000 0.993 1174 L CB -1.782 40.183 42.059 -0.156 0.000 1.143 1174 L HN 0.852 nan 8.230 nan 0.000 0.745 1175 N N -0.630 118.012 118.700 -0.097 0.000 2.732 1175 N HA -0.252 4.619 4.740 0.219 0.000 0.250 1175 N C 0.175 175.677 175.510 -0.014 0.000 1.097 1175 N CA 1.876 54.887 53.050 -0.064 0.000 0.812 1175 N CB -0.273 38.187 38.487 -0.046 0.000 1.148 1175 N HN 0.837 nan 8.380 nan 0.000 0.572 1176 Q N -0.220 119.578 119.800 -0.002 0.000 2.379 1176 Q HA 0.309 4.780 4.340 0.219 0.000 0.278 1176 Q C -1.511 174.569 176.000 0.133 0.000 1.068 1176 Q CA -0.715 55.145 55.803 0.096 0.000 0.816 1176 Q CB 1.356 30.207 28.738 0.188 0.000 1.387 1176 Q HN 0.294 nan 8.270 nan 0.000 0.413 1177 E N 2.464 122.769 120.200 0.175 0.000 2.194 1177 E HA 0.165 4.647 4.350 0.219 0.000 0.284 1177 E C -1.206 175.438 176.600 0.073 0.000 1.035 1177 E CA -0.294 56.128 56.400 0.038 0.000 0.836 1177 E CB 0.621 30.329 29.700 0.013 0.000 1.070 1177 E HN 0.324 nan 8.360 nan 0.000 0.401 1178 W N 2.982 123.906 121.300 -0.626 0.000 2.630 1178 W HA 0.518 5.307 4.660 0.216 0.000 0.365 1178 W C 0.208 176.440 176.519 -0.477 0.000 1.270 1178 W CA -0.790 56.163 57.345 -0.652 0.000 1.291 1178 W CB 0.844 29.660 29.460 -1.073 0.000 1.440 1178 W HN 0.455 nan 8.180 nan 0.000 0.652 1179 R N -0.036 120.435 120.500 -0.048 0.000 2.808 1179 R HA 0.682 5.154 4.340 0.219 0.000 0.272 1179 R C -1.842 174.464 176.300 0.008 0.000 0.995 1179 R CA -0.682 55.356 56.100 -0.103 0.000 0.917 1179 R CB 1.908 31.899 30.300 -0.515 0.000 1.217 1179 R HN 0.231 nan 8.270 nan 0.000 0.471 1180 V N 3.924 123.851 119.914 0.020 0.000 2.370 1180 V HA 0.423 4.675 4.120 0.219 0.000 0.279 1180 V C -1.061 175.093 176.094 0.100 0.000 1.029 1180 V CA -0.252 62.153 62.300 0.176 0.000 0.870 1180 V CB 0.836 32.854 31.823 0.324 0.000 0.984 1180 V HN 0.608 nan 8.190 nan 0.000 0.451 1181 Y N 1.789 122.250 120.300 0.269 0.000 2.598 1181 Y HA 0.663 5.346 4.550 0.221 0.000 0.340 1181 Y C 0.436 176.390 175.900 0.089 0.000 1.038 1181 Y CA -0.859 57.399 58.100 0.264 0.000 1.100 1181 Y CB 2.254 40.824 38.460 0.182 0.000 1.281 1181 Y HN 0.469 nan 8.280 nan 0.000 0.488 1182 T N 0.865 115.430 114.554 0.018 0.000 2.824 1182 T HA 0.290 4.772 4.350 0.219 0.000 0.282 1182 T C -1.422 173.439 174.700 0.268 0.000 0.993 1182 T CA -0.506 61.525 62.100 -0.116 0.000 0.967 1182 T CB 0.168 68.601 68.868 -0.725 0.000 0.960 1182 T HN 0.459 nan 8.240 nan 0.000 0.441 1183 Y N 4.301 124.700 120.300 0.165 0.000 2.610 1183 Y HA 0.223 4.905 4.550 0.219 0.000 0.332 1183 Y C 1.362 177.122 175.900 -0.234 0.000 1.201 1183 Y CA -0.102 57.876 58.100 -0.204 0.000 1.465 1183 Y CB 0.724 39.101 38.460 -0.139 0.000 1.283 1183 Y HN 0.759 nan 8.280 nan 0.000 0.563 1184 K N 4.205 123.916 120.400 -1.148 0.000 2.365 1184 K HA -0.104 4.348 4.320 0.219 0.000 0.199 1184 K C -0.533 175.239 176.600 -1.379 0.000 1.045 1184 K CA 1.149 56.584 56.287 -1.421 0.000 0.962 1184 K CB 0.036 31.276 32.500 -2.099 0.000 0.759 1184 K HN 0.641 nan 8.250 nan 0.000 0.469 1185 Y N 0.142 119.659 120.300 -1.306 0.000 2.672 1185 Y HA 0.191 4.876 4.550 0.224 0.000 0.272 1185 Y C -0.232 175.386 175.900 -0.470 0.000 1.055 1185 Y CA -2.167 55.407 58.100 -0.876 0.000 1.151 1185 Y CB -0.817 37.212 38.460 -0.717 0.000 1.190 1185 Y HN -0.094 nan 8.280 nan 0.000 0.574 1186 F N -0.493 119.411 119.950 -0.078 0.000 2.563 1186 F HA 0.300 4.952 4.527 0.209 0.000 0.363 1186 F C 1.058 176.929 175.800 0.118 0.000 1.123 1186 F CA -0.580 57.543 58.000 0.205 0.000 1.307 1186 F CB 0.934 40.051 39.000 0.195 0.000 1.115 1186 F HN -0.033 nan 8.300 nan 0.000 0.592 1187 K N 1.539 122.054 120.400 0.191 0.000 2.354 1187 K HA 0.153 4.605 4.320 0.219 0.000 0.194 1187 K C 0.389 177.065 176.600 0.127 0.000 1.038 1187 K CA -0.027 56.300 56.287 0.066 0.000 1.052 1187 K CB 0.282 32.821 32.500 0.065 0.000 0.861 1187 K HN 0.691 nan 8.250 nan 0.000 0.535 1188 K N 0.212 120.770 120.400 0.262 0.000 2.362 1188 K HA 0.015 4.467 4.320 0.219 0.000 0.245 1188 K C 0.755 177.525 176.600 0.283 0.000 1.040 1188 K CA -0.242 56.182 56.287 0.229 0.000 0.961 1188 K CB 0.591 33.226 32.500 0.224 0.000 1.252 1188 K HN -0.156 nan 8.250 nan 0.000 0.503 1189 E N 1.015 121.320 120.200 0.174 0.000 2.107 1189 E HA -0.124 4.358 4.350 0.219 0.000 0.191 1189 E C -0.315 176.391 176.600 0.177 0.000 0.982 1189 E CA 1.229 57.723 56.400 0.157 0.000 0.809 1189 E CB 0.350 30.079 29.700 0.048 0.000 0.756 1189 E HN 0.456 nan 8.360 nan 0.000 0.459 1190 E N -0.682 119.544 120.200 0.044 0.000 2.383 1190 E HA 0.527 5.009 4.350 0.219 0.000 0.275 1190 E C -0.839 175.774 176.600 0.021 0.000 0.918 1190 E CA -0.808 55.545 56.400 -0.078 0.000 0.764 1190 E CB 1.720 31.228 29.700 -0.320 0.000 1.252 1190 E HN -0.062 nan 8.360 nan 0.000 0.449 1191 E N 0.587 120.725 120.200 -0.103 0.000 2.429 1191 E HA 0.359 4.840 4.350 0.219 0.000 0.276 1191 E C -1.457 175.126 176.600 -0.028 0.000 0.953 1191 E CA -0.737 55.666 56.400 0.005 0.000 0.787 1191 E CB 1.653 31.215 29.700 -0.230 0.000 1.307 1191 E HN 0.372 nan 8.360 nan 0.000 0.458 1192 K N 1.514 121.767 120.400 -0.245 0.000 2.350 1192 K HA 0.295 4.747 4.320 0.219 0.000 0.279 1192 K C -0.106 176.451 176.600 -0.073 0.000 1.027 1192 K CA -0.243 55.892 56.287 -0.253 0.000 0.969 1192 K CB 0.440 32.644 32.500 -0.493 0.000 0.954 1192 K HN 0.385 nan 8.250 nan 0.000 0.474 1193 L N 2.686 123.905 121.223 -0.008 0.000 2.436 1193 L HA 0.218 4.690 4.340 0.219 0.000 0.265 1193 L C 0.057 177.061 176.870 0.223 0.000 1.168 1193 L CA -0.543 54.322 54.840 0.042 0.000 0.815 1193 L CB 0.145 42.123 42.059 -0.134 0.000 1.109 1193 L HN 0.474 nan 8.230 nan 0.000 0.462 1194 F N 3.209 123.218 119.950 0.100 0.000 2.405 1194 F HA 0.437 5.093 4.527 0.215 0.000 0.355 1194 F C -0.780 175.151 175.800 0.218 0.000 1.121 1194 F CA -0.930 57.111 58.000 0.069 0.000 1.112 1194 F CB 0.758 39.655 39.000 -0.172 0.000 1.126 1194 F HN 0.077 nan 8.300 nan 0.000 0.481 1195 L N 6.652 127.913 121.223 0.064 0.000 2.295 1195 L HA 0.757 5.229 4.340 0.219 0.000 0.281 1195 L C -0.166 176.712 176.870 0.014 0.000 1.018 1195 L CA -0.254 54.717 54.840 0.218 0.000 0.841 1195 L CB 0.553 42.837 42.059 0.374 0.000 1.218 1195 L HN 0.810 nan 8.230 nan 0.000 0.424 1196 A N 4.606 127.264 122.820 -0.270 0.000 2.533 1196 A HA 0.965 5.417 4.320 0.219 0.000 0.293 1196 A C -2.923 174.040 177.584 -1.036 0.000 1.228 1196 A CA -1.428 50.053 52.037 -0.926 0.000 0.689 1196 A CB 1.110 19.261 19.000 -1.416 0.000 1.303 1196 A HN 0.382 nan 8.150 nan 0.000 0.444 1197 P HA 0.289 nan 4.420 nan 0.000 0.271 1197 P C -0.685 176.370 177.300 -0.409 0.000 1.233 1197 P CA 0.047 62.492 63.100 -1.091 0.000 0.789 1197 P CB 0.262 31.458 31.700 -0.840 0.000 0.951 1198 I N 1.144 121.562 120.570 -0.253 0.000 2.436 1198 I HA 0.211 4.512 4.170 0.219 0.000 0.289 1198 I C 0.792 176.859 176.117 -0.083 0.000 1.083 1198 I CA 1.149 62.384 61.300 -0.109 0.000 1.372 1198 I CB -0.147 37.772 38.000 -0.134 0.000 1.408 1198 I HN 0.252 nan 8.210 nan 0.000 0.516 1199 S N 4.447 120.140 115.700 -0.012 0.000 2.595 1199 S HA 0.255 4.857 4.470 0.219 0.000 0.270 1199 S C -1.482 173.123 174.600 0.008 0.000 1.145 1199 S CA -0.903 57.275 58.200 -0.037 0.000 0.825 1199 S CB 1.362 64.508 63.200 -0.090 0.000 1.107 1199 S HN 0.509 nan 8.310 nan 0.000 0.461 1200 D N 1.749 122.156 120.400 0.011 0.000 2.339 1200 D HA 0.578 5.350 4.640 0.219 0.000 0.245 1200 D C -0.319 176.004 176.300 0.038 0.000 1.115 1200 D CA 0.373 54.399 54.000 0.043 0.000 0.917 1200 D CB 1.643 42.466 40.800 0.039 0.000 1.192 1200 D HN 0.342 nan 8.370 nan 0.000 0.428 1201 S N 0.009 115.753 115.700 0.073 0.000 2.547 1201 S HA 0.226 4.828 4.470 0.219 0.000 0.270 1201 S C -0.429 174.213 174.600 0.070 0.000 1.150 1201 S CA -0.687 57.565 58.200 0.088 0.000 0.850 1201 S CB 1.441 64.740 63.200 0.165 0.000 1.118 1201 S HN 0.188 nan 8.310 nan 0.000 0.461 1202 D N 1.260 121.682 120.400 0.036 0.000 2.301 1202 D HA 0.068 4.840 4.640 0.219 0.000 0.206 1202 D C 1.229 177.463 176.300 -0.109 0.000 0.979 1202 D CA 0.631 54.627 54.000 -0.005 0.000 0.874 1202 D CB 0.231 41.039 40.800 0.014 0.000 0.968 1202 D HN 0.818 nan 8.370 nan 0.000 0.510 1203 E N -0.279 119.821 120.200 -0.166 0.000 2.444 1203 E HA 0.092 4.574 4.350 0.219 0.000 0.191 1203 E C -0.429 175.628 176.600 -0.906 0.000 1.041 1203 E CA -0.095 56.013 56.400 -0.487 0.000 0.883 1203 E CB 0.137 29.628 29.700 -0.348 0.000 1.024 1203 E HN 0.083 nan 8.360 nan 0.000 0.470 1204 F N 0.452 120.251 119.950 -0.252 0.000 2.578 1204 F HA 0.375 5.030 4.527 0.213 0.000 0.311 1204 F C -0.593 175.158 175.800 -0.082 0.000 1.094 1204 F CA -1.289 56.610 58.000 -0.169 0.000 0.923 1204 F CB 1.259 40.235 39.000 -0.039 0.000 1.230 1204 F HN -0.159 nan 8.300 nan 0.000 0.450 1205 Y N 1.965 122.426 120.300 0.268 0.000 2.334 1205 Y HA 0.268 4.960 4.550 0.236 0.000 0.328 1205 Y C 0.925 177.125 175.900 0.501 0.000 1.130 1205 Y CA -0.994 57.274 58.100 0.280 0.000 1.163 1205 Y CB 1.034 39.589 38.460 0.158 0.000 1.207 1205 Y HN 0.585 nan 8.280 nan 0.000 0.471 1206 N N -1.844 117.287 118.700 0.718 0.000 2.168 1206 N HA 0.048 4.920 4.740 0.219 0.000 0.216 1206 N C -0.388 175.491 175.510 0.616 0.000 1.259 1206 N CA -0.048 53.382 53.050 0.633 0.000 0.902 1206 N CB 0.022 38.747 38.487 0.396 0.000 1.079 1206 N HN 0.344 nan 8.380 nan 0.000 0.507 1207 T N 2.048 116.922 114.554 0.533 0.000 2.780 1207 T HA 0.477 4.959 4.350 0.219 0.000 0.294 1207 T C 0.003 174.797 174.700 0.157 0.000 0.949 1207 T CA -0.073 62.201 62.100 0.291 0.000 1.074 1207 T CB 0.891 69.874 68.868 0.193 0.000 0.910 1207 T HN 0.089 nan 8.240 nan 0.000 0.501 1208 I N 2.662 123.216 120.570 -0.026 0.000 2.569 1208 I HA 0.374 4.676 4.170 0.219 0.000 0.296 1208 I C -0.020 176.045 176.117 -0.087 0.000 1.028 1208 I CA -0.879 60.293 61.300 -0.213 0.000 1.082 1208 I CB 2.312 40.054 38.000 -0.430 0.000 1.264 1208 I HN 0.462 nan 8.210 nan 0.000 0.429 1209 Q N 5.823 125.552 119.800 -0.117 0.000 2.293 1209 Q HA 0.538 5.009 4.340 0.219 0.000 0.261 1209 Q C -1.257 174.606 176.000 -0.227 0.000 0.960 1209 Q CA -0.689 54.952 55.803 -0.269 0.000 0.882 1209 Q CB 2.271 30.803 28.738 -0.343 0.000 1.275 1209 Q HN 0.653 nan 8.270 nan 0.000 0.445 1210 I N 4.232 124.656 120.570 -0.242 0.000 2.365 1210 I HA 0.306 4.607 4.170 0.219 0.000 0.291 1210 I C -0.873 175.099 176.117 -0.241 0.000 1.004 1210 I CA -0.293 60.892 61.300 -0.193 0.000 1.311 1210 I CB 0.302 38.202 38.000 -0.166 0.000 1.401 1210 I HN 0.580 nan 8.210 nan 0.000 0.491 1211 K N 5.469 125.710 120.400 -0.266 0.000 2.352 1211 K HA 0.524 4.975 4.320 0.219 0.000 0.240 1211 K C -1.207 175.145 176.600 -0.414 0.000 1.017 1211 K CA -0.895 55.132 56.287 -0.433 0.000 0.851 1211 K CB 1.636 33.661 32.500 -0.791 0.000 1.261 1211 K HN 0.336 nan 8.250 nan 0.000 0.451 1212 E N 0.751 120.653 120.200 -0.497 0.000 2.502 1212 E HA 0.224 4.705 4.350 0.219 0.000 0.261 1212 E C -0.940 175.411 176.600 -0.416 0.000 0.974 1212 E CA -0.149 56.030 56.400 -0.369 0.000 0.795 1212 E CB 0.128 29.683 29.700 -0.240 0.000 1.385 1212 E HN 0.485 nan 8.360 nan 0.000 0.400 1213 Y N 0.684 120.767 120.300 -0.363 0.000 2.490 1213 Y HA 0.172 4.743 4.550 0.036 0.000 0.285 1213 Y C 0.886 176.374 175.900 -0.686 0.000 1.117 1213 Y CA 0.111 57.926 58.100 -0.474 0.000 1.262 1213 Y CB 0.284 38.464 38.460 -0.467 0.000 1.043 1213 Y HN 0.402 nan 8.280 nan 0.000 0.553 1214 D N 0.930 120.914 120.400 -0.694 0.000 2.382 1214 D HA -0.018 4.753 4.640 0.219 0.000 0.245 1214 D C 0.532 176.738 176.300 -0.155 0.000 1.120 1214 D CA 0.398 54.132 54.000 -0.444 0.000 0.890 1214 D CB 1.016 41.671 40.800 -0.243 0.000 1.201 1214 D HN 0.354 nan 8.370 nan 0.000 0.433 1215 E N 1.066 121.240 120.200 -0.043 0.000 2.415 1215 E HA -0.002 4.480 4.350 0.219 0.000 0.197 1215 E C 0.136 176.732 176.600 -0.007 0.000 1.007 1215 E CA -0.038 56.353 56.400 -0.016 0.000 0.890 1215 E CB 0.481 30.187 29.700 0.010 0.000 0.891 1215 E HN 0.438 nan 8.360 nan 0.000 0.496 1216 Q N 0.827 120.632 119.800 0.007 0.000 2.221 1216 Q HA 0.287 4.759 4.340 0.219 0.000 0.242 1216 Q C -2.385 173.596 176.000 -0.031 0.000 0.940 1216 Q CA -2.435 53.373 55.803 0.009 0.000 0.896 1216 Q CB 0.203 28.974 28.738 0.055 0.000 1.226 1216 Q HN -0.069 nan 8.270 nan 0.000 0.463 1217 P HA -0.001 nan 4.420 nan 0.000 0.262 1217 P C -0.488 176.747 177.300 -0.107 0.000 1.182 1217 P CA 0.647 63.661 63.100 -0.143 0.000 0.761 1217 P CB 0.528 32.030 31.700 -0.330 0.000 0.795 1218 T N 2.122 116.602 114.554 -0.124 0.000 2.802 1218 T HA 0.415 4.897 4.350 0.219 0.000 0.311 1218 T C -0.860 173.819 174.700 -0.036 0.000 1.405 1218 T CA -0.295 61.723 62.100 -0.136 0.000 1.016 1218 T CB 0.506 69.354 68.868 -0.034 0.000 1.352 1218 T HN 0.059 nan 8.240 nan 0.000 0.498 1219 Y N 0.765 121.060 120.300 -0.008 0.000 2.531 1219 Y HA 0.485 5.164 4.550 0.215 0.000 0.249 1219 Y C 1.251 177.156 175.900 0.010 0.000 1.168 1219 Y CA -0.790 57.297 58.100 -0.021 0.000 1.226 1219 Y CB 0.187 38.608 38.460 -0.065 0.000 1.177 1219 Y HN 0.362 nan 8.280 nan 0.000 0.527 1220 S N 0.652 116.440 115.700 0.146 0.000 2.585 1220 S HA 0.556 5.157 4.470 0.219 0.000 0.277 1220 S C 0.140 174.788 174.600 0.081 0.000 1.241 1220 S CA -0.599 57.676 58.200 0.126 0.000 1.041 1220 S CB 1.215 64.482 63.200 0.111 0.000 0.987 1220 S HN 0.401 nan 8.310 nan 0.000 0.512 1221 C N 1.870 121.232 119.300 0.102 0.000 3.108 1221 C HA 0.885 5.477 4.460 0.219 0.000 0.321 1221 C C -1.336 173.722 174.990 0.114 0.000 1.357 1221 C CA -0.938 58.114 59.018 0.057 0.000 1.562 1221 C CB 0.652 28.432 27.740 0.068 0.000 2.003 1221 C HN 0.717 nan 8.230 nan 0.000 0.460 1222 Q N 0.337 120.167 119.800 0.051 0.000 2.387 1222 Q HA 0.803 5.275 4.340 0.219 0.000 0.273 1222 Q C -1.272 174.767 176.000 0.066 0.000 1.089 1222 Q CA -0.370 55.515 55.803 0.137 0.000 0.824 1222 Q CB 1.842 30.691 28.738 0.184 0.000 1.367 1222 Q HN 0.731 nan 8.270 nan 0.000 0.443 1223 L N 2.090 123.377 121.223 0.107 0.000 2.318 1223 L HA 0.490 4.961 4.340 0.219 0.000 0.277 1223 L C -1.174 175.694 176.870 -0.004 0.000 1.008 1223 L CA -0.834 53.992 54.840 -0.023 0.000 0.846 1223 L CB 0.921 42.913 42.059 -0.112 0.000 1.220 1223 L HN 0.348 nan 8.230 nan 0.000 0.423 1224 L N 3.598 124.806 121.223 -0.026 0.000 2.265 1224 L HA 0.496 4.968 4.340 0.219 0.000 0.289 1224 L C -0.624 176.260 176.870 0.025 0.000 1.033 1224 L CA 0.157 55.036 54.840 0.066 0.000 0.814 1224 L CB 0.676 42.796 42.059 0.101 0.000 1.203 1224 L HN 0.210 nan 8.230 nan 0.000 0.423 1225 F N 5.119 125.130 119.950 0.101 0.000 2.443 1225 F HA 0.347 5.012 4.527 0.230 0.000 0.353 1225 F C 0.588 176.397 175.800 0.016 0.000 1.101 1225 F CA 0.167 58.218 58.000 0.084 0.000 1.226 1225 F CB 0.608 39.682 39.000 0.123 0.000 1.140 1225 F HN 0.340 nan 8.300 nan 0.000 0.557 1226 K N 3.384 123.905 120.400 0.201 0.000 2.259 1226 K HA 0.203 4.654 4.320 0.219 0.000 0.252 1226 K C 0.587 177.045 176.600 -0.237 0.000 0.936 1226 K CA -0.896 55.406 56.287 0.025 0.000 0.810 1226 K CB 2.015 34.597 32.500 0.137 0.000 1.143 1226 K HN 0.376 nan 8.250 nan 0.000 0.427 1227 K N 1.041 121.197 120.400 -0.407 0.000 1.984 1227 K HA -0.098 4.354 4.320 0.219 0.000 0.209 1227 K C -0.054 176.473 176.600 -0.121 0.000 1.046 1227 K CA 1.758 57.689 56.287 -0.593 0.000 0.934 1227 K CB 0.165 32.516 32.500 -0.249 0.000 0.717 1227 K HN 0.751 nan 8.250 nan 0.000 0.438 1228 D N -1.311 119.046 120.400 -0.072 0.000 2.756 1228 D HA 0.152 4.924 4.640 0.219 0.000 0.226 1228 D C 0.189 176.408 176.300 -0.136 0.000 1.186 1228 D CA -0.236 53.731 54.000 -0.054 0.000 0.845 1228 D CB 1.490 42.278 40.800 -0.019 0.000 1.610 1228 D HN -0.013 nan 8.370 nan 0.000 0.465 1229 E N 0.844 120.860 120.200 -0.306 0.000 2.085 1229 E HA -0.202 4.279 4.350 0.219 0.000 0.194 1229 E C 1.077 177.507 176.600 -0.284 0.000 0.994 1229 E CA 1.421 57.412 56.400 -0.681 0.000 0.801 1229 E CB 0.294 29.405 29.700 -0.981 0.000 0.743 1229 E HN 0.552 nan 8.360 nan 0.000 0.453 1230 E N 0.963 121.065 120.200 -0.163 0.000 2.006 1230 E HA -0.094 4.388 4.350 0.219 0.000 0.192 1230 E C 0.899 177.488 176.600 -0.018 0.000 0.993 1230 E CA 0.837 57.199 56.400 -0.063 0.000 0.808 1230 E CB -0.180 29.492 29.700 -0.047 0.000 0.764 1230 E HN 0.125 nan 8.360 nan 0.000 0.449 1231 S N 1.036 116.726 115.700 -0.017 0.000 2.573 1231 S HA -0.060 4.542 4.470 0.219 0.000 0.297 1231 S C 0.977 175.589 174.600 0.020 0.000 1.280 1231 S CA 0.336 58.538 58.200 0.003 0.000 1.061 1231 S CB 0.796 63.997 63.200 0.002 0.000 0.812 1231 S HN 0.354 nan 8.310 nan 0.000 0.500 1232 T N -2.065 112.506 114.554 0.028 0.000 3.169 1232 T HA 0.094 4.576 4.350 0.219 0.000 0.250 1232 T C 0.173 174.896 174.700 0.039 0.000 1.111 1232 T CA -0.107 62.018 62.100 0.042 0.000 1.010 1232 T CB -0.403 68.487 68.868 0.037 0.000 0.984 1232 T HN 0.676 nan 8.240 nan 0.000 0.537 1233 D N 2.148 122.563 120.400 0.024 0.000 2.424 1233 D HA 0.096 4.868 4.640 0.219 0.000 0.244 1233 D C -0.321 175.994 176.300 0.024 0.000 1.134 1233 D CA 0.205 54.216 54.000 0.018 0.000 0.881 1233 D CB 0.644 41.445 40.800 0.002 0.000 1.191 1233 D HN 0.415 nan 8.370 nan 0.000 0.445 1234 E N 3.722 123.948 120.200 0.043 0.000 2.129 1234 E HA 0.147 4.628 4.350 0.219 0.000 0.268 1234 E C 0.715 177.370 176.600 0.091 0.000 0.900 1234 E CA -0.696 55.748 56.400 0.075 0.000 0.755 1234 E CB 1.372 31.128 29.700 0.092 0.000 1.117 1234 E HN 0.407 nan 8.360 nan 0.000 0.410 1235 I N 1.598 122.234 120.570 0.110 0.000 2.333 1235 I HA 0.132 4.433 4.170 0.219 0.000 0.246 1235 I C 1.166 177.466 176.117 0.304 0.000 1.106 1235 I CA 1.029 62.438 61.300 0.180 0.000 1.411 1235 I CB -0.962 37.137 38.000 0.165 0.000 1.082 1235 I HN 0.622 nan 8.210 nan 0.000 0.420 1236 G N 0.278 109.262 108.800 0.305 0.000 2.336 1236 G HA2 0.364 4.455 3.960 0.219 0.000 0.300 1236 G HA3 0.364 4.455 3.960 0.219 0.000 0.300 1236 G C -1.650 173.458 174.900 0.347 0.000 1.375 1236 G CA -0.836 44.460 45.100 0.326 0.000 0.885 1236 G HN -0.001 nan 8.290 nan 0.000 0.599 1237 L N 0.203 121.641 121.223 0.357 0.000 2.334 1237 L HA 0.609 5.080 4.340 0.219 0.000 0.273 1237 L C 0.361 177.450 176.870 0.366 0.000 1.013 1237 L CA -1.064 53.984 54.840 0.348 0.000 0.816 1237 L CB 1.968 44.231 42.059 0.339 0.000 1.278 1237 L HN 0.448 nan 8.230 nan 0.000 0.431 1238 I N 1.268 122.025 120.570 0.311 0.000 2.496 1238 I HA 0.406 4.707 4.170 0.219 0.000 0.285 1238 I C 0.726 177.165 176.117 0.536 0.000 1.080 1238 I CA 0.387 61.873 61.300 0.309 0.000 1.404 1238 I CB 0.984 39.031 38.000 0.079 0.000 1.403 1238 I HN 0.752 nan 8.210 nan 0.000 0.539 1239 G N 6.437 115.569 108.800 0.554 0.000 2.753 1239 G HA2 0.651 4.743 3.960 0.219 0.000 0.303 1239 G HA3 0.651 4.743 3.960 0.219 0.000 0.303 1239 G C -1.321 173.935 174.900 0.592 0.000 1.242 1239 G CA -0.571 44.855 45.100 0.543 0.000 0.810 1239 G HN 0.402 nan 8.290 nan 0.000 0.515 1240 I N 0.429 121.248 120.570 0.416 0.000 2.498 1240 I HA 0.484 4.786 4.170 0.219 0.000 0.290 1240 I C -1.065 175.259 176.117 0.344 0.000 1.032 1240 I CA -0.686 60.839 61.300 0.375 0.000 1.073 1240 I CB 2.370 40.490 38.000 0.200 0.000 1.251 1240 I HN 0.613 nan 8.210 nan 0.000 0.426 1241 H N 5.147 124.347 119.070 0.217 0.000 2.851 1241 H HA 0.444 5.134 4.556 0.223 0.000 0.372 1241 H C -0.977 174.303 175.328 -0.081 0.000 1.158 1241 H CA -0.795 55.247 56.048 -0.009 0.000 1.159 1241 H CB 2.040 31.704 29.762 -0.163 0.000 1.757 1241 H HN 0.462 nan 8.280 nan 0.000 0.546 1242 R N 4.310 124.292 120.500 -0.863 0.000 2.248 1242 R HA 0.248 4.719 4.340 0.219 0.000 0.328 1242 R C -1.215 174.387 176.300 -1.162 0.000 1.067 1242 R CA -0.216 55.490 56.100 -0.657 0.000 0.924 1242 R CB -0.022 30.012 30.300 -0.444 0.000 1.013 1242 R HN 0.368 nan 8.270 nan 0.000 0.454 1243 F N 3.686 123.295 119.950 -0.569 0.000 2.450 1243 F HA 0.314 4.969 4.527 0.213 0.000 0.332 1243 F C -0.439 174.833 175.800 -0.880 0.000 1.093 1243 F CA -0.746 56.770 58.000 -0.806 0.000 1.003 1243 F CB 1.127 39.920 39.000 -0.344 0.000 1.151 1243 F HN 0.388 nan 8.300 nan 0.000 0.474 1244 Y N 0.923 121.113 120.300 -0.182 0.000 2.436 1244 Y HA 0.221 4.903 4.550 0.220 0.000 0.343 1244 Y C 0.759 176.675 175.900 0.026 0.000 1.008 1244 Y CA -0.799 57.115 58.100 -0.310 0.000 1.241 1244 Y CB 0.317 38.509 38.460 -0.446 0.000 1.153 1244 Y HN 0.595 nan 8.280 nan 0.000 0.521 1245 E N 1.681 122.011 120.200 0.215 0.000 2.511 1245 E HA 0.172 4.653 4.350 0.219 0.000 0.214 1245 E C -0.455 176.254 176.600 0.182 0.000 1.062 1245 E CA -0.193 56.316 56.400 0.182 0.000 1.213 1245 E CB 0.152 29.976 29.700 0.206 0.000 1.214 1245 E HN 0.642 nan 8.360 nan 0.000 0.441 1246 S N 0.697 116.515 115.700 0.197 0.000 3.298 1246 S HA -0.007 4.594 4.470 0.219 0.000 0.389 1246 S C 0.378 175.055 174.600 0.128 0.000 1.186 1246 S CA 0.480 58.776 58.200 0.160 0.000 1.034 1246 S CB 0.530 63.813 63.200 0.138 0.000 0.735 1246 S HN 0.450 nan 8.310 nan 0.000 0.510 1247 G N 1.587 110.465 108.800 0.129 0.000 2.509 1247 G HA2 0.528 4.619 3.960 0.219 0.000 0.328 1247 G HA3 0.528 4.619 3.960 0.219 0.000 0.328 1247 G C 0.976 175.948 174.900 0.120 0.000 1.194 1247 G CA -1.061 44.108 45.100 0.115 0.000 0.967 1247 G HN 0.527 nan 8.290 nan 0.000 0.488 1248 I N 0.444 121.073 120.570 0.097 0.000 2.113 1248 I HA -0.202 4.100 4.170 0.219 0.000 0.242 1248 I C 2.405 178.586 176.117 0.106 0.000 1.057 1248 I CA 1.590 62.943 61.300 0.088 0.000 1.314 1248 I CB -1.432 36.607 38.000 0.065 0.000 1.022 1248 I HN 0.317 nan 8.210 nan 0.000 0.408 1249 V N -0.079 119.902 119.914 0.111 0.000 2.259 1249 V HA -0.022 4.229 4.120 0.219 0.000 0.226 1249 V C 0.926 177.161 176.094 0.235 0.000 1.016 1249 V CA 1.353 63.724 62.300 0.118 0.000 1.000 1249 V CB 0.147 32.032 31.823 0.102 0.000 0.647 1249 V HN 0.341 nan 8.190 nan 0.000 0.466 1250 F N -0.491 119.480 119.950 0.035 0.000 2.631 1250 F HA 0.458 5.118 4.527 0.221 0.000 0.328 1250 F C -0.205 175.629 175.800 0.057 0.000 1.067 1250 F CA -1.245 56.776 58.000 0.036 0.000 0.969 1250 F CB 1.637 40.647 39.000 0.016 0.000 1.332 1250 F HN 0.485 nan 8.300 nan 0.000 0.490 1251 E N 2.031 122.117 120.200 -0.189 0.000 2.259 1251 E HA 0.197 4.679 4.350 0.219 0.000 0.281 1251 E C -1.138 175.385 176.600 -0.129 0.000 1.037 1251 E CA -0.450 55.882 56.400 -0.114 0.000 0.854 1251 E CB 1.712 31.335 29.700 -0.128 0.000 1.051 1251 E HN 0.527 nan 8.360 nan 0.000 0.409 1252 E N 3.890 124.134 120.200 0.073 0.000 2.277 1252 E HA 0.294 4.776 4.350 0.219 0.000 0.266 1252 E C -1.297 175.532 176.600 0.383 0.000 0.901 1252 E CA -0.756 55.676 56.400 0.053 0.000 0.782 1252 E CB 1.368 31.110 29.700 0.070 0.000 1.228 1252 E HN 0.636 nan 8.360 nan 0.000 0.424 1253 Y N 1.141 121.469 120.300 0.047 0.000 2.567 1253 Y HA 0.524 5.207 4.550 0.221 0.000 0.333 1253 Y C 0.124 176.047 175.900 0.037 0.000 1.106 1253 Y CA -1.218 56.913 58.100 0.052 0.000 1.157 1253 Y CB 2.308 40.791 38.460 0.039 0.000 1.277 1253 Y HN 0.339 nan 8.280 nan 0.000 0.490 1254 K N 1.145 121.680 120.400 0.224 0.000 2.557 1254 K HA 0.166 4.618 4.320 0.219 0.000 0.261 1254 K C -2.232 174.443 176.600 0.125 0.000 0.932 1254 K CA -0.724 55.635 56.287 0.120 0.000 0.829 1254 K CB 1.900 34.459 32.500 0.099 0.000 1.358 1254 K HN 0.585 nan 8.250 nan 0.000 0.430 1255 D N 2.084 122.476 120.400 -0.015 0.000 2.302 1255 D HA 0.241 5.013 4.640 0.219 0.000 0.248 1255 D C -0.902 175.370 176.300 -0.046 0.000 1.094 1255 D CA 0.574 54.601 54.000 0.045 0.000 0.897 1255 D CB 0.529 41.325 40.800 -0.007 0.000 1.200 1255 D HN 0.285 nan 8.370 nan 0.000 0.429 1256 Y N 0.394 120.867 120.300 0.288 0.000 2.512 1256 Y HA 0.242 4.922 4.550 0.216 0.000 0.348 1256 Y C -0.066 176.075 175.900 0.402 0.000 0.990 1256 Y CA -1.257 57.016 58.100 0.287 0.000 1.033 1256 Y CB 1.301 39.853 38.460 0.153 0.000 1.259 1256 Y HN 0.193 nan 8.280 nan 0.000 0.461 1257 F N 4.663 124.801 119.950 0.313 0.000 2.533 1257 F HA 0.371 5.032 4.527 0.222 0.000 0.378 1257 F C 0.263 176.248 175.800 0.310 0.000 1.070 1257 F CA -0.961 57.209 58.000 0.284 0.000 1.172 1257 F CB -0.523 38.586 39.000 0.183 0.000 1.085 1257 F HN 0.633 nan 8.300 nan 0.000 0.552 1258 C N 6.354 125.822 119.300 0.279 0.000 3.307 1258 C HA 0.804 5.396 4.460 0.219 0.000 0.350 1258 C C -0.481 174.555 174.990 0.077 0.000 1.549 1258 C CA -1.281 57.839 59.018 0.171 0.000 1.396 1258 C CB 1.212 29.196 27.740 0.407 0.000 1.970 1258 C HN 0.922 nan 8.230 nan 0.000 0.441 1259 I N 1.479 122.060 120.570 0.018 0.000 2.530 1259 I HA 0.653 4.955 4.170 0.219 0.000 0.297 1259 I C -0.452 175.681 176.117 0.028 0.000 1.011 1259 I CA 0.207 61.524 61.300 0.028 0.000 1.107 1259 I CB 1.798 39.699 38.000 -0.165 0.000 1.285 1259 I HN 0.983 nan 8.210 nan 0.000 0.436 1260 S N 5.285 121.102 115.700 0.195 0.000 2.548 1260 S HA 0.423 5.025 4.470 0.219 0.000 0.276 1260 S C 0.164 174.916 174.600 0.253 0.000 1.129 1260 S CA -0.712 57.592 58.200 0.174 0.000 0.931 1260 S CB 1.846 65.135 63.200 0.149 0.000 1.068 1260 S HN 0.788 nan 8.310 nan 0.000 0.480 1261 K N 2.359 122.899 120.400 0.234 0.000 2.365 1261 K HA 0.028 4.479 4.320 0.219 0.000 0.197 1261 K C 1.144 177.837 176.600 0.156 0.000 1.042 1261 K CA 0.473 56.895 56.287 0.224 0.000 0.987 1261 K CB -0.013 32.625 32.500 0.229 0.000 0.779 1261 K HN 0.756 nan 8.250 nan 0.000 0.484 1262 W N 0.518 121.768 121.300 -0.083 0.000 2.374 1262 W HA -0.188 4.604 4.660 0.221 0.000 0.288 1262 W C 1.133 177.553 176.519 -0.165 0.000 1.218 1262 W CA 1.386 58.627 57.345 -0.173 0.000 1.245 1262 W CB -0.034 29.238 29.460 -0.313 0.000 1.126 1262 W HN 0.045 nan 8.180 nan 0.000 0.545 1263 Y N -0.092 120.278 120.300 0.116 0.000 2.373 1263 Y HA -0.139 4.541 4.550 0.217 0.000 0.293 1263 Y C 2.355 178.166 175.900 -0.147 0.000 1.129 1263 Y CA 1.230 59.313 58.100 -0.030 0.000 1.226 1263 Y CB -1.137 37.402 38.460 0.132 0.000 1.000 1263 Y HN -0.123 nan 8.280 nan 0.000 0.549 1264 L N 0.509 121.766 121.223 0.057 0.000 2.021 1264 L HA -0.349 4.123 4.340 0.219 0.000 0.215 1264 L C 2.452 179.240 176.870 -0.138 0.000 1.074 1264 L CA 2.394 57.226 54.840 -0.014 0.000 0.760 1264 L CB -0.604 41.471 42.059 0.026 0.000 0.889 1264 L HN 0.319 nan 8.230 nan 0.000 0.433 1265 K N -1.216 119.048 120.400 -0.227 0.000 2.098 1265 K HA -0.086 4.365 4.320 0.219 0.000 0.203 1265 K C 1.836 178.241 176.600 -0.325 0.000 1.051 1265 K CA 0.673 56.799 56.287 -0.267 0.000 0.957 1265 K CB -0.226 32.088 32.500 -0.309 0.000 0.738 1265 K HN 0.064 nan 8.250 nan 0.000 0.447 1266 E N 1.551 121.466 120.200 -0.475 0.000 2.153 1266 E HA -0.130 4.352 4.350 0.219 0.000 0.194 1266 E C 2.224 178.683 176.600 -0.236 0.000 0.988 1266 E CA 1.616 57.759 56.400 -0.428 0.000 0.811 1266 E CB -0.280 29.066 29.700 -0.591 0.000 0.746 1266 E HN 0.424 nan 8.360 nan 0.000 0.466 1267 V N -1.266 118.537 119.914 -0.185 0.000 3.241 1267 V HA -0.087 4.165 4.120 0.219 0.000 0.269 1267 V C 1.706 177.727 176.094 -0.122 0.000 1.151 1267 V CA 1.264 63.495 62.300 -0.116 0.000 1.158 1267 V CB -0.502 31.079 31.823 -0.403 0.000 0.764 1267 V HN 0.041 nan 8.190 nan 0.000 0.508 1268 K N 0.012 120.317 120.400 -0.160 0.000 2.314 1268 K HA 0.185 4.636 4.320 0.219 0.000 0.198 1268 K C 1.039 177.611 176.600 -0.047 0.000 1.045 1268 K CA -0.136 56.090 56.287 -0.102 0.000 0.988 1268 K CB 0.068 32.501 32.500 -0.112 0.000 0.783 1268 K HN 0.418 nan 8.250 nan 0.000 0.484 1269 R N 2.007 122.465 120.500 -0.070 0.000 2.570 1269 R HA 0.054 4.525 4.340 0.219 0.000 0.277 1269 R C -0.365 175.934 176.300 -0.001 0.000 1.039 1269 R CA 0.798 56.867 56.100 -0.052 0.000 1.065 1269 R CB 0.442 30.689 30.300 -0.088 0.000 0.964 1269 R HN -0.015 nan 8.270 nan 0.000 0.428 1270 K N 3.541 123.946 120.400 0.008 0.000 2.316 1270 K HA 0.380 4.832 4.320 0.219 0.000 0.251 1270 K C -1.977 174.636 176.600 0.021 0.000 0.934 1270 K CA -1.691 54.618 56.287 0.037 0.000 0.802 1270 K CB 1.638 34.161 32.500 0.040 0.000 1.171 1270 K HN 0.513 nan 8.250 nan 0.000 0.426 1271 P HA 0.006 nan 4.420 nan 0.000 0.272 1271 P C -0.858 176.489 177.300 0.079 0.000 1.223 1271 P CA -0.339 62.800 63.100 0.065 0.000 0.784 1271 P CB 0.409 32.142 31.700 0.056 0.000 0.923 1272 Y N 2.108 122.414 120.300 0.009 0.000 2.811 1272 Y HA -0.058 4.615 4.550 0.206 0.000 0.334 1272 Y C 0.885 176.794 175.900 0.015 0.000 1.247 1272 Y CA 0.192 58.299 58.100 0.012 0.000 1.526 1272 Y CB 0.046 38.526 38.460 0.032 0.000 1.284 1272 Y HN 0.348 nan 8.280 nan 0.000 0.586 1273 N N 6.604 124.911 118.700 -0.655 0.000 2.415 1273 N HA 0.028 4.900 4.740 0.219 0.000 0.246 1273 N C 0.403 175.672 175.510 -0.402 0.000 1.078 1273 N CA -0.135 52.675 53.050 -0.399 0.000 0.942 1273 N CB 0.338 38.643 38.487 -0.305 0.000 1.140 1273 N HN 0.731 nan 8.380 nan 0.000 0.501 1274 L N 3.154 124.313 121.223 -0.106 0.000 2.265 1274 L HA -0.093 4.378 4.340 0.219 0.000 0.215 1274 L C 1.337 178.191 176.870 -0.026 0.000 1.117 1274 L CA 1.341 56.192 54.840 0.017 0.000 0.782 1274 L CB -0.592 41.499 42.059 0.054 0.000 0.914 1274 L HN 0.597 nan 8.230 nan 0.000 0.441 1275 K N -0.410 119.952 120.400 -0.064 0.000 2.404 1275 K HA 0.170 4.622 4.320 0.219 0.000 0.194 1275 K C 0.536 177.091 176.600 -0.075 0.000 1.023 1275 K CA -0.294 55.958 56.287 -0.059 0.000 1.094 1275 K CB 0.282 32.762 32.500 -0.032 0.000 0.841 1275 K HN 0.191 nan 8.250 nan 0.000 0.523 1276 L N 1.195 122.357 121.223 -0.100 0.000 2.525 1276 L HA -0.037 4.435 4.340 0.219 0.000 0.278 1276 L C 1.652 178.420 176.870 -0.169 0.000 1.218 1276 L CA -0.040 54.768 54.840 -0.053 0.000 0.878 1276 L CB 0.415 42.408 42.059 -0.110 0.000 1.127 1276 L HN 0.300 nan 8.230 nan 0.000 0.492 1277 G N 1.650 110.390 108.800 -0.101 0.000 2.708 1277 G HA2 -0.165 3.927 3.960 0.219 0.000 0.210 1277 G HA3 -0.165 3.927 3.960 0.219 0.000 0.210 1277 G C 1.123 175.660 174.900 -0.604 0.000 1.141 1277 G CA 0.566 45.512 45.100 -0.256 0.000 0.788 1277 G HN 0.903 nan 8.290 nan 0.000 0.531 1278 C N -1.131 117.664 119.300 -0.842 0.000 2.754 1278 C HA 0.370 4.961 4.460 0.219 0.000 0.276 1278 C C 0.561 175.348 174.990 -0.339 0.000 1.264 1278 C CA -1.811 56.831 59.018 -0.627 0.000 1.700 1278 C CB -1.753 25.533 27.740 -0.756 0.000 1.885 1278 C HN 0.241 nan 8.230 nan 0.000 0.607 1279 N N 0.635 119.078 118.700 -0.428 0.000 2.414 1279 N HA 0.430 5.301 4.740 0.219 0.000 0.256 1279 N C -1.157 174.079 175.510 -0.457 0.000 1.029 1279 N CA -0.154 52.761 53.050 -0.225 0.000 0.948 1279 N CB 0.606 39.041 38.487 -0.087 0.000 1.102 1279 N HN 0.559 nan 8.380 nan 0.000 0.496 1280 W N 1.024 122.268 121.300 -0.094 0.000 2.781 1280 W HA 0.466 5.234 4.660 0.180 0.000 0.345 1280 W C -0.067 176.358 176.519 -0.157 0.000 1.085 1280 W CA -0.611 56.617 57.345 -0.195 0.000 1.198 1280 W CB 1.290 30.545 29.460 -0.342 0.000 1.423 1280 W HN 0.168 nan 8.180 nan 0.000 0.532 1281 Q N 1.078 120.935 119.800 0.096 0.000 2.397 1281 Q HA 0.524 4.996 4.340 0.219 0.000 0.275 1281 Q C -1.582 174.281 176.000 -0.228 0.000 1.090 1281 Q CA -1.082 54.770 55.803 0.082 0.000 0.809 1281 Q CB 2.687 31.652 28.738 0.378 0.000 1.362 1281 Q HN 0.314 nan 8.270 nan 0.000 0.431 1282 F N 1.767 121.655 119.950 -0.104 0.000 2.436 1282 F HA 0.503 5.150 4.527 0.201 0.000 0.340 1282 F C -0.078 175.594 175.800 -0.214 0.000 1.113 1282 F CA -0.589 57.233 58.000 -0.297 0.000 1.022 1282 F CB 1.028 39.490 39.000 -0.897 0.000 1.128 1282 F HN 0.261 nan 8.300 nan 0.000 0.466 1283 I N 6.071 126.717 120.570 0.125 0.000 2.382 1283 I HA 0.329 4.630 4.170 0.219 0.000 0.285 1283 I C -2.492 173.938 176.117 0.521 0.000 1.007 1283 I CA -1.984 59.361 61.300 0.075 0.000 1.142 1283 I CB 1.541 39.380 38.000 -0.268 0.000 1.289 1283 I HN 0.270 nan 8.210 nan 0.000 0.453 1284 P HA 0.254 nan 4.420 nan 0.000 0.285 1284 P C -1.010 176.651 177.300 0.600 0.000 1.269 1284 P CA -0.862 62.570 63.100 0.552 0.000 0.844 1284 P CB 1.260 33.235 31.700 0.458 0.000 1.094 1285 K N 1.576 122.136 120.400 0.267 0.000 2.489 1285 K HA 0.111 4.563 4.320 0.219 0.000 0.278 1285 K C -0.239 176.499 176.600 0.230 0.000 1.000 1285 K CA 0.828 57.142 56.287 0.044 0.000 1.012 1285 K CB -0.261 32.139 32.500 -0.167 0.000 0.903 1285 K HN 0.572 nan 8.250 nan 0.000 0.485 1286 D N 0.232 120.809 120.400 0.296 0.000 2.934 1286 D HA 0.029 4.801 4.640 0.219 0.000 0.230 1286 D C 0.879 177.239 176.300 0.100 0.000 1.204 1286 D CA -0.473 53.570 54.000 0.071 0.000 0.873 1286 D CB 1.115 41.682 40.800 -0.389 0.000 1.645 1286 D HN 0.502 nan 8.370 nan 0.000 0.502 1287 E N 1.746 121.995 120.200 0.081 0.000 2.267 1287 E HA -0.113 4.368 4.350 0.219 0.000 0.197 1287 E C 1.358 178.096 176.600 0.230 0.000 0.998 1287 E CA 0.992 57.476 56.400 0.140 0.000 0.830 1287 E CB -0.090 29.661 29.700 0.085 0.000 0.751 1287 E HN 0.432 nan 8.360 nan 0.000 0.491 1288 G N 0.223 109.148 108.800 0.207 0.000 2.920 1288 G HA2 -0.105 3.986 3.960 0.219 0.000 0.208 1288 G HA3 -0.105 3.986 3.960 0.219 0.000 0.208 1288 G C -0.542 174.330 174.900 -0.047 0.000 1.159 1288 G CA -0.358 44.810 45.100 0.114 0.000 0.784 1288 G HN 0.311 nan 8.290 nan 0.000 0.535 1289 W N 2.398 123.579 121.300 -0.198 0.000 2.631 1289 W HA 0.454 5.249 4.660 0.225 0.000 0.321 1289 W C -0.954 175.538 176.519 -0.045 0.000 1.004 1289 W CA -0.716 56.503 57.345 -0.210 0.000 1.291 1289 W CB 1.399 30.719 29.460 -0.234 0.000 1.300 1289 W HN 0.021 nan 8.180 nan 0.000 0.422 1290 T N 1.681 115.985 114.554 -0.416 0.000 2.807 1290 T HA 0.507 4.989 4.350 0.219 0.000 0.279 1290 T C -0.323 174.162 174.700 -0.358 0.000 0.993 1290 T CA -0.587 61.417 62.100 -0.160 0.000 0.970 1290 T CB 1.975 70.786 68.868 -0.094 0.000 0.950 1290 T HN 0.482 nan 8.240 nan 0.000 0.441 1291 E N 1.533 121.694 120.200 -0.065 0.000 3.651 1291 E HA 0.374 4.856 4.350 0.219 0.000 0.220 1291 E C -2.750 173.937 176.600 0.145 0.000 1.222 1291 E CA -1.915 54.483 56.400 -0.004 0.000 1.114 1291 E CB 0.022 29.777 29.700 0.092 0.000 1.278 1291 E HN 0.399 nan 8.360 nan 0.000 0.412 1292 P HA 0.081 nan 4.420 nan 0.000 0.265 1292 P C -1.763 175.618 177.300 0.136 0.000 1.193 1292 P CA -0.610 62.560 63.100 0.116 0.000 0.765 1292 P CB 0.108 31.860 31.700 0.087 0.000 0.823 1293 P HA 0.000 nan 4.420 nan 0.000 0.216 1293 P CA 0.000 63.150 63.100 0.083 0.000 0.800 1293 P CB 0.000 31.738 31.700 0.063 0.000 0.726