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 2fec_1_A DATA FIRST_RESID 17 DATA SEQUENCE RRRQLIRQLL ERDKTPLAIL FMAAVVGTLV GLAAVAFDKG VAWLQNQRMG DATA SEQUENCE ALVHTADNYP LLLTVAFLCS AVLAMFGYFL VRKYAPEAGG SGIPEIEGAL DATA SEQUENCE EDQRPVRWWR VLPVKFFGGL GTLGGGMVLG REGPTVQIGG NIGRMVLDIF DATA SEQUENCE RLKGDEARHT LLATGAAAGL AAAFNAPLAG ILFIIEQMRP QFRYTLISIK DATA SEQUENCE AVFIGVIMST IMYRIFNHEV ALIDVGKLSD APLNTLWLYL ILGIIFGIFG DATA SEQUENCE PIFNKWVLGM QDLLHRVHGG NITKWVLMGG AIGGLCGLLG FVAPATSGGG DATA SEQUENCE FNLIPIATAG NFSMGMLVFI FVARVITTLL CFSSGAPGGI FAPMLALGTV DATA SEQUENCE LGTAFGMVAV ELFPQYHLEA GTFAIAGMGA LLAASIRAPL TGIILVLEMT DATA SEQUENCE DNYQLILPMI ITGLGATLLA QFTGGKPLYS AILARTLAKQ EAEQ 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 17 R HA 0.000 nan 4.340 nan 0.000 0.208 17 R C 0.000 176.294 176.300 -0.010 0.000 0.893 17 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 17 R CB 0.000 30.295 30.300 -0.009 0.000 0.687 18 R N 1.505 122.000 120.500 -0.008 0.000 2.112 18 R HA 0.203 4.539 4.340 -0.007 0.000 0.216 18 R C 1.823 178.118 176.300 -0.009 0.000 1.080 18 R CA 0.964 57.059 56.100 -0.009 0.000 0.996 18 R CB 0.133 30.429 30.300 -0.007 0.000 0.902 18 R HN 0.168 nan 8.270 nan 0.000 0.449 19 R N 0.322 120.818 120.500 -0.007 0.000 2.189 19 R HA -0.075 4.261 4.340 -0.007 0.000 0.218 19 R C 2.216 178.512 176.300 -0.007 0.000 1.074 19 R CA 1.203 57.299 56.100 -0.006 0.000 0.991 19 R CB 0.069 30.366 30.300 -0.004 0.000 0.883 19 R HN 0.271 nan 8.270 nan 0.000 0.457 20 Q N -0.122 119.673 119.800 -0.008 0.000 2.083 20 Q HA -0.137 4.199 4.340 -0.007 0.000 0.198 20 Q C 1.792 177.784 176.000 -0.013 0.000 0.969 20 Q CA 1.028 56.825 55.803 -0.009 0.000 0.838 20 Q CB 0.088 28.820 28.738 -0.010 0.000 0.900 20 Q HN 0.259 nan 8.270 nan 0.000 0.436 21 L N 0.528 121.741 121.223 -0.017 0.000 2.083 21 L HA -0.148 4.188 4.340 -0.007 0.000 0.209 21 L C 2.001 178.861 176.870 -0.016 0.000 1.083 21 L CA 1.389 56.217 54.840 -0.021 0.000 0.752 21 L CB -0.231 41.814 42.059 -0.023 0.000 0.899 21 L HN 0.289 nan 8.230 nan 0.000 0.433 22 I N -1.208 119.355 120.570 -0.012 0.000 2.286 22 I HA -0.283 3.883 4.170 -0.007 0.000 0.248 22 I C 2.570 178.683 176.117 -0.008 0.000 1.115 22 I CA 0.984 62.279 61.300 -0.009 0.000 1.392 22 I CB -0.279 37.717 38.000 -0.007 0.000 1.065 22 I HN 0.216 nan 8.210 nan 0.000 0.418 23 R N 1.105 121.600 120.500 -0.007 0.000 2.115 23 R HA -0.126 4.210 4.340 -0.007 0.000 0.226 23 R C 2.084 178.381 176.300 -0.005 0.000 1.100 23 R CA 1.549 57.646 56.100 -0.004 0.000 0.980 23 R CB -0.308 29.990 30.300 -0.003 0.000 0.875 23 R HN 0.387 nan 8.270 nan 0.000 0.445 24 Q N -0.286 119.508 119.800 -0.009 0.000 2.062 24 Q HA -0.006 4.330 4.340 -0.007 0.000 0.196 24 Q C 2.108 178.102 176.000 -0.010 0.000 0.967 24 Q CA 1.510 57.306 55.803 -0.011 0.000 0.832 24 Q CB -0.053 28.671 28.738 -0.023 0.000 0.899 24 Q HN 0.309 nan 8.270 nan 0.000 0.442 25 L N 0.381 121.596 121.223 -0.012 0.000 2.079 25 L HA -0.213 4.123 4.340 -0.007 0.000 0.210 25 L C 2.137 179.004 176.870 -0.006 0.000 1.081 25 L CA 1.010 55.844 54.840 -0.011 0.000 0.752 25 L CB -0.314 41.737 42.059 -0.012 0.000 0.896 25 L HN 0.248 nan 8.230 nan 0.000 0.433 26 L N -0.941 120.279 121.223 -0.005 0.000 2.376 26 L HA -0.073 4.263 4.340 -0.007 0.000 0.219 26 L C 1.425 178.294 176.870 -0.000 0.000 1.133 26 L CA 0.606 55.444 54.840 -0.003 0.000 0.816 26 L CB -0.142 41.916 42.059 -0.003 0.000 0.933 26 L HN 0.210 nan 8.230 nan 0.000 0.449 27 E N 0.489 120.690 120.200 0.001 0.000 2.609 27 E HA 0.129 4.475 4.350 -0.007 0.000 0.208 27 E C -0.021 176.586 176.600 0.011 0.000 1.013 27 E CA -0.096 56.308 56.400 0.006 0.000 1.093 27 E CB 0.412 30.117 29.700 0.008 0.000 1.129 27 E HN 0.283 nan 8.360 nan 0.000 0.450 28 R N 1.416 121.921 120.500 0.008 0.000 2.457 28 R HA 0.068 4.403 4.340 -0.007 0.000 0.284 28 R C -0.092 176.217 176.300 0.015 0.000 1.024 28 R CA -0.043 56.066 56.100 0.014 0.000 1.025 28 R CB 0.521 30.825 30.300 0.007 0.000 1.063 28 R HN -0.128 nan 8.270 nan 0.000 0.493 29 D N 1.805 122.219 120.400 0.025 0.000 2.800 29 D HA -0.143 4.493 4.640 -0.007 0.000 0.232 29 D C -1.135 175.175 176.300 0.016 0.000 1.137 29 D CA 1.130 55.142 54.000 0.020 0.000 0.718 29 D CB -0.519 40.285 40.800 0.007 0.000 1.084 29 D HN 0.569 nan 8.370 nan 0.000 0.432 30 K N 0.798 121.212 120.400 0.022 0.000 2.526 30 K HA 0.228 4.544 4.320 -0.007 0.000 0.214 30 K C -0.382 176.232 176.600 0.023 0.000 1.088 30 K CA -0.349 55.948 56.287 0.018 0.000 1.058 30 K CB 0.624 33.134 32.500 0.016 0.000 1.653 30 K HN 0.073 nan 8.250 nan 0.000 0.521 31 T N 2.901 117.468 114.554 0.022 0.000 2.814 31 T HA 0.173 4.519 4.350 -0.007 0.000 0.297 31 T C -2.211 172.501 174.700 0.020 0.000 0.956 31 T CA -1.432 60.683 62.100 0.024 0.000 1.123 31 T CB 0.591 69.474 68.868 0.025 0.000 0.902 31 T HN 0.165 nan 8.240 nan 0.000 0.528 32 P HA 0.105 nan 4.420 nan 0.000 0.265 32 P C 1.114 178.427 177.300 0.021 0.000 1.193 32 P CA -0.422 62.688 63.100 0.017 0.000 0.765 32 P CB 0.510 32.220 31.700 0.017 0.000 0.823 33 L N 3.232 124.465 121.223 0.017 0.000 2.089 33 L HA -0.310 4.026 4.340 -0.007 0.000 0.213 33 L C 1.990 178.887 176.870 0.044 0.000 1.079 33 L CA 2.263 57.118 54.840 0.025 0.000 0.758 33 L CB -0.622 41.439 42.059 0.004 0.000 0.891 33 L HN 0.452 nan 8.230 nan 0.000 0.433 34 A N 0.132 122.967 122.820 0.026 0.000 1.902 34 A HA -0.213 4.103 4.320 -0.007 0.000 0.217 34 A C 2.149 179.765 177.584 0.054 0.000 1.181 34 A CA 2.055 54.112 52.037 0.034 0.000 0.623 34 A CB -0.819 18.189 19.000 0.014 0.000 0.818 34 A HN 0.549 nan 8.150 nan 0.000 0.443 35 I N -0.307 120.284 120.570 0.035 0.000 2.226 35 I HA -0.265 3.901 4.170 -0.007 0.000 0.245 35 I C 2.342 178.473 176.117 0.024 0.000 1.100 35 I CA 1.177 62.490 61.300 0.022 0.000 1.374 35 I CB -0.347 37.664 38.000 0.019 0.000 1.057 35 I HN 0.307 nan 8.210 nan 0.000 0.413 36 L N -0.502 120.747 121.223 0.043 0.000 2.056 36 L HA -0.213 4.123 4.340 -0.007 0.000 0.207 36 L C 2.575 179.472 176.870 0.045 0.000 1.078 36 L CA 1.296 56.161 54.840 0.040 0.000 0.749 36 L CB -0.687 41.400 42.059 0.048 0.000 0.901 36 L HN 0.181 nan 8.230 nan 0.000 0.433 37 F N 0.142 120.057 119.950 -0.059 0.000 2.171 37 F HA -0.224 4.299 4.527 -0.006 0.000 0.300 37 F C 2.517 178.245 175.800 -0.119 0.000 1.090 37 F CA 1.395 59.347 58.000 -0.080 0.000 1.293 37 F CB -0.015 38.933 39.000 -0.087 0.000 1.013 37 F HN -0.041 nan 8.300 nan 0.000 0.486 38 M N 0.131 119.698 119.600 -0.054 0.000 2.200 38 M HA -0.066 4.410 4.480 -0.007 0.000 0.265 38 M C 2.550 178.732 176.300 -0.196 0.000 1.066 38 M CA 1.417 56.605 55.300 -0.186 0.000 1.127 38 M CB -1.728 30.803 32.600 -0.115 0.000 1.379 38 M HN 0.308 nan 8.290 nan 0.000 0.420 39 A N 0.276 123.023 122.820 -0.123 0.000 1.940 39 A HA -0.066 4.250 4.320 -0.007 0.000 0.219 39 A C 2.398 179.899 177.584 -0.138 0.000 1.176 39 A CA 2.152 54.130 52.037 -0.098 0.000 0.631 39 A CB -0.841 18.133 19.000 -0.043 0.000 0.814 39 A HN 0.482 nan 8.150 nan 0.000 0.446 40 A N -1.044 121.655 122.820 -0.202 0.000 1.898 40 A HA 0.016 4.332 4.320 -0.007 0.000 0.216 40 A C 2.278 179.694 177.584 -0.281 0.000 1.181 40 A CA 1.677 53.573 52.037 -0.235 0.000 0.620 40 A CB -0.912 17.910 19.000 -0.297 0.000 0.819 40 A HN 0.678 nan 8.150 nan 0.000 0.442 41 V N -0.456 119.221 119.914 -0.395 0.000 2.719 41 V HA -0.120 3.996 4.120 -0.007 0.000 0.252 41 V C 2.375 178.345 176.094 -0.206 0.000 1.065 41 V CA 1.642 63.744 62.300 -0.330 0.000 1.086 41 V CB -0.134 31.436 31.823 -0.422 0.000 0.700 41 V HN 0.324 nan 8.190 nan 0.000 0.467 42 V N 0.744 120.547 119.914 -0.185 0.000 2.237 42 V HA -0.161 3.955 4.120 -0.007 0.000 0.245 42 V C 2.708 178.738 176.094 -0.106 0.000 1.046 42 V CA 2.343 64.564 62.300 -0.131 0.000 1.007 42 V CB -1.496 30.260 31.823 -0.111 0.000 0.638 42 V HN 0.596 nan 8.190 nan 0.000 0.445 43 G N -0.123 108.618 108.800 -0.099 0.000 2.491 43 G HA2 -0.315 3.641 3.960 -0.007 0.000 0.218 43 G HA3 -0.315 3.641 3.960 -0.007 0.000 0.218 43 G C 1.670 176.530 174.900 -0.067 0.000 1.180 43 G CA 1.856 46.912 45.100 -0.074 0.000 0.774 43 G HN 0.502 nan 8.290 nan 0.000 0.562 44 T N 1.477 115.983 114.554 -0.080 0.000 2.653 44 T HA -0.146 4.200 4.350 -0.007 0.000 0.268 44 T C 2.396 177.061 174.700 -0.058 0.000 1.035 44 T CA 1.373 63.435 62.100 -0.063 0.000 1.154 44 T CB -0.284 68.535 68.868 -0.082 0.000 0.862 44 T HN 0.199 nan 8.240 nan 0.000 0.441 45 L N 0.429 121.608 121.223 -0.073 0.000 2.023 45 L HA -0.056 4.280 4.340 -0.007 0.000 0.205 45 L C 2.803 179.634 176.870 -0.067 0.000 1.073 45 L CA 0.802 55.600 54.840 -0.070 0.000 0.745 45 L CB -0.844 41.168 42.059 -0.079 0.000 0.900 45 L HN 0.118 nan 8.230 nan 0.000 0.435 46 V N 0.590 120.463 119.914 -0.068 0.000 2.252 46 V HA -0.303 3.813 4.120 -0.007 0.000 0.249 46 V C 2.649 178.712 176.094 -0.052 0.000 1.056 46 V CA 2.239 64.501 62.300 -0.064 0.000 1.022 46 V CB -1.519 30.263 31.823 -0.069 0.000 0.641 46 V HN 0.606 nan 8.190 nan 0.000 0.445 47 G N -0.305 108.469 108.800 -0.042 0.000 2.514 47 G HA2 -0.263 3.693 3.960 -0.007 0.000 0.217 47 G HA3 -0.263 3.693 3.960 -0.007 0.000 0.217 47 G C 1.580 176.455 174.900 -0.042 0.000 1.198 47 G CA 1.295 46.383 45.100 -0.019 0.000 0.780 47 G HN 0.463 nan 8.290 nan 0.000 0.565 48 L N 0.723 121.903 121.223 -0.072 0.000 2.043 48 L HA -0.170 4.166 4.340 -0.007 0.000 0.212 48 L C 3.444 180.251 176.870 -0.104 0.000 1.075 48 L CA 1.247 56.005 54.840 -0.136 0.000 0.752 48 L CB -0.457 41.540 42.059 -0.104 0.000 0.891 48 L HN 0.348 nan 8.230 nan 0.000 0.432 49 A N -0.169 122.623 122.820 -0.046 0.000 1.873 49 A HA -0.131 4.185 4.320 -0.007 0.000 0.215 49 A C 2.507 180.150 177.584 0.098 0.000 1.186 49 A CA 1.615 53.668 52.037 0.027 0.000 0.616 49 A CB -0.709 18.288 19.000 -0.005 0.000 0.823 49 A HN 0.401 nan 8.150 nan 0.000 0.442 50 A N -0.722 122.117 122.820 0.033 0.000 2.019 50 A HA 0.065 4.381 4.320 -0.007 0.000 0.219 50 A C 2.180 179.821 177.584 0.094 0.000 1.164 50 A CA 1.675 53.744 52.037 0.054 0.000 0.644 50 A CB -0.667 18.323 19.000 -0.017 0.000 0.805 50 A HN 0.344 nan 8.150 nan 0.000 0.449 51 V N -0.419 119.504 119.914 0.015 0.000 2.323 51 V HA -0.170 3.946 4.120 -0.007 0.000 0.244 51 V C 3.051 179.101 176.094 -0.073 0.000 1.041 51 V CA 1.712 63.970 62.300 -0.070 0.000 1.025 51 V CB -1.121 30.488 31.823 -0.357 0.000 0.656 51 V HN 0.596 nan 8.190 nan 0.000 0.451 52 A N -0.182 122.615 122.820 -0.039 0.000 1.883 52 A HA -0.285 4.030 4.320 -0.007 0.000 0.217 52 A C 2.139 179.771 177.584 0.080 0.000 1.186 52 A CA 2.307 54.377 52.037 0.054 0.000 0.624 52 A CB -0.824 18.277 19.000 0.168 0.000 0.822 52 A HN 0.545 nan 8.150 nan 0.000 0.444 53 F N 0.986 120.908 119.950 -0.046 0.000 2.134 53 F HA -0.178 4.345 4.527 -0.007 0.000 0.299 53 F C 1.923 177.615 175.800 -0.181 0.000 1.097 53 F CA 2.091 59.916 58.000 -0.292 0.000 1.264 53 F CB -0.213 38.616 39.000 -0.286 0.000 1.001 53 F HN 0.314 nan 8.300 nan 0.000 0.479 54 D N 0.340 120.695 120.400 -0.075 0.000 2.117 54 D HA -0.166 4.470 4.640 -0.007 0.000 0.197 54 D C 2.069 178.283 176.300 -0.143 0.000 0.987 54 D CA 1.122 55.054 54.000 -0.114 0.000 0.829 54 D CB -0.041 40.793 40.800 0.056 0.000 0.961 54 D HN 0.175 nan 8.370 nan 0.000 0.460 55 K N 0.016 120.359 120.400 -0.097 0.000 2.031 55 K HA -0.006 4.310 4.320 -0.007 0.000 0.205 55 K C 2.188 178.756 176.600 -0.054 0.000 1.049 55 K CA 1.037 57.293 56.287 -0.052 0.000 0.939 55 K CB -0.939 31.542 32.500 -0.032 0.000 0.717 55 K HN 0.216 nan 8.250 nan 0.000 0.438 56 G N 1.321 110.048 108.800 -0.123 0.000 2.476 56 G HA2 -0.243 3.713 3.960 -0.007 0.000 0.218 56 G HA3 -0.243 3.713 3.960 -0.007 0.000 0.218 56 G C 1.730 176.575 174.900 -0.092 0.000 1.164 56 G CA 1.129 46.173 45.100 -0.094 0.000 0.768 56 G HN 0.128 nan 8.290 nan 0.000 0.560 57 V N 1.580 121.296 119.914 -0.330 0.000 2.287 57 V HA -0.175 3.941 4.120 -0.007 0.000 0.248 57 V C 3.355 179.377 176.094 -0.120 0.000 1.053 57 V CA 2.196 64.309 62.300 -0.311 0.000 1.027 57 V CB -0.947 30.556 31.823 -0.533 0.000 0.646 57 V HN 0.514 nan 8.190 nan 0.000 0.447 58 A N -1.026 121.751 122.820 -0.072 0.000 1.883 58 A HA -0.300 4.015 4.320 -0.007 0.000 0.217 58 A C 1.962 179.583 177.584 0.062 0.000 1.186 58 A CA 2.083 54.120 52.037 0.001 0.000 0.624 58 A CB -1.008 18.004 19.000 0.019 0.000 0.822 58 A HN 0.735 nan 8.150 nan 0.000 0.444 59 W N 0.695 121.948 121.300 -0.079 0.000 2.338 59 W HA -0.179 4.477 4.660 -0.006 0.000 0.304 59 W C 1.757 178.243 176.519 -0.054 0.000 1.212 59 W CA 1.993 59.305 57.345 -0.055 0.000 1.264 59 W CB -0.333 29.097 29.460 -0.050 0.000 1.142 59 W HN 0.269 nan 8.180 nan 0.000 0.512 60 L N -0.063 121.108 121.223 -0.086 0.000 2.072 60 L HA -0.214 4.122 4.340 -0.007 0.000 0.205 60 L C 2.636 179.373 176.870 -0.221 0.000 1.079 60 L CA 1.418 56.103 54.840 -0.258 0.000 0.752 60 L CB -1.074 40.915 42.059 -0.116 0.000 0.906 60 L HN 0.030 nan 8.230 nan 0.000 0.436 61 Q N -0.191 119.533 119.800 -0.126 0.000 2.135 61 Q HA -0.237 4.099 4.340 -0.007 0.000 0.204 61 Q C 2.038 177.975 176.000 -0.104 0.000 0.981 61 Q CA 1.699 57.450 55.803 -0.086 0.000 0.856 61 Q CB -0.253 28.462 28.738 -0.039 0.000 0.902 61 Q HN 0.544 nan 8.270 nan 0.000 0.425 62 N N -0.200 118.417 118.700 -0.138 0.000 2.171 62 N HA -0.174 4.562 4.740 -0.007 0.000 0.184 62 N C 1.676 177.048 175.510 -0.230 0.000 1.021 62 N CA 0.725 53.689 53.050 -0.143 0.000 0.854 62 N CB 0.241 38.668 38.487 -0.100 0.000 0.994 62 N HN 0.211 nan 8.380 nan 0.000 0.426 63 Q N 1.020 120.568 119.800 -0.419 0.000 2.050 63 Q HA -0.078 4.258 4.340 -0.007 0.000 0.202 63 Q C 2.151 177.996 176.000 -0.258 0.000 0.980 63 Q CA 1.091 56.627 55.803 -0.445 0.000 0.840 63 Q CB -0.404 27.894 28.738 -0.733 0.000 0.898 63 Q HN 0.451 nan 8.270 nan 0.000 0.424 64 R N -0.061 120.310 120.500 -0.213 0.000 2.083 64 R HA -0.055 4.281 4.340 -0.007 0.000 0.237 64 R C 2.201 178.453 176.300 -0.081 0.000 1.137 64 R CA 1.393 57.415 56.100 -0.130 0.000 0.951 64 R CB -0.261 29.980 30.300 -0.100 0.000 0.851 64 R HN 0.186 nan 8.270 nan 0.000 0.434 65 M N -0.205 119.357 119.600 -0.063 0.000 2.557 65 M HA 0.000 4.476 4.480 -0.007 0.000 0.259 65 M C 1.704 177.994 176.300 -0.017 0.000 1.086 65 M CA 0.983 56.275 55.300 -0.013 0.000 1.096 65 M CB 0.375 32.980 32.600 0.008 0.000 1.424 65 M HN 0.223 nan 8.290 nan 0.000 0.488 66 G N -0.943 107.822 108.800 -0.058 0.000 2.464 66 G HA2 -0.002 3.954 3.960 -0.007 0.000 0.217 66 G HA3 -0.002 3.954 3.960 -0.007 0.000 0.217 66 G C 1.423 176.308 174.900 -0.024 0.000 1.138 66 G CA 0.625 45.698 45.100 -0.045 0.000 0.793 66 G HN 0.543 nan 8.290 nan 0.000 0.539 67 A N 0.695 123.486 122.820 -0.049 0.000 1.930 67 A HA 0.261 4.577 4.320 -0.007 0.000 0.215 67 A C 2.284 179.869 177.584 0.002 0.000 1.176 67 A CA 0.528 52.544 52.037 -0.035 0.000 0.632 67 A CB -0.284 18.669 19.000 -0.079 0.000 0.819 67 A HN 0.300 nan 8.150 nan 0.000 0.445 68 L N -0.199 121.012 121.223 -0.020 0.000 2.261 68 L HA -0.150 4.186 4.340 -0.007 0.000 0.216 68 L C 2.199 179.078 176.870 0.016 0.000 1.114 68 L CA 0.804 55.624 54.840 -0.034 0.000 0.777 68 L CB -0.533 41.516 42.059 -0.016 0.000 0.910 68 L HN 0.246 nan 8.230 nan 0.000 0.440 69 V N -1.250 118.691 119.914 0.046 0.000 2.649 69 V HA -0.220 3.896 4.120 -0.007 0.000 0.248 69 V C 2.290 178.420 176.094 0.060 0.000 1.054 69 V CA 1.427 63.760 62.300 0.055 0.000 1.073 69 V CB -0.557 31.297 31.823 0.052 0.000 0.699 69 V HN 0.471 nan 8.190 nan 0.000 0.463 70 H N 1.380 120.441 119.070 -0.016 0.000 2.457 70 H HA -0.093 4.459 4.556 -0.007 0.000 0.294 70 H C 1.737 177.053 175.328 -0.019 0.000 1.064 70 H CA 1.727 57.765 56.048 -0.016 0.000 1.330 70 H CB 0.229 29.978 29.762 -0.022 0.000 1.395 70 H HN 0.548 nan 8.280 nan 0.000 0.541 71 T N -2.915 111.690 114.554 0.084 0.000 3.308 71 T HA 0.537 4.883 4.350 -0.007 0.000 0.270 71 T C 1.339 176.024 174.700 -0.024 0.000 0.992 71 T CA -0.034 62.081 62.100 0.024 0.000 0.931 71 T CB 0.473 69.361 68.868 0.033 0.000 1.142 71 T HN 0.363 nan 8.240 nan 0.000 0.525 72 A N 1.765 124.578 122.820 -0.013 0.000 2.014 72 A HA 0.117 4.433 4.320 -0.007 0.000 0.218 72 A C 1.448 179.051 177.584 0.033 0.000 1.163 72 A CA 0.872 52.918 52.037 0.014 0.000 0.652 72 A CB -0.463 18.560 19.000 0.038 0.000 0.808 72 A HN 0.767 nan 8.150 nan 0.000 0.449 73 D N 0.248 120.656 120.400 0.014 0.000 1.880 73 D HA -0.155 4.481 4.640 -0.007 0.000 0.265 73 D C 0.560 176.889 176.300 0.049 0.000 1.095 73 D CA -0.165 53.853 54.000 0.030 0.000 0.954 73 D CB -0.938 39.865 40.800 0.005 0.000 1.234 73 D HN 0.284 nan 8.370 nan 0.000 0.465 74 N N -0.026 118.700 118.700 0.043 0.000 1.552 74 N HA -0.278 4.458 4.740 -0.007 0.000 0.350 74 N C 0.198 175.753 175.510 0.074 0.000 1.219 74 N CA 0.106 53.191 53.050 0.059 0.000 0.832 74 N CB -0.159 38.344 38.487 0.028 0.000 1.073 74 N HN 0.401 nan 8.380 nan 0.000 0.518 75 Y N 5.776 126.076 120.300 0.000 0.000 2.128 75 Y HA -0.110 4.436 4.550 -0.007 0.000 0.284 75 Y C -0.835 175.051 175.900 -0.024 0.000 1.154 75 Y CA 1.828 59.930 58.100 0.003 0.000 1.149 75 Y CB -0.544 37.937 38.460 0.036 0.000 0.976 75 Y HN 0.613 nan 8.280 nan 0.000 0.505 76 P HA -0.131 nan 4.420 nan 0.000 0.223 76 P C 1.570 178.837 177.300 -0.055 0.000 1.151 76 P CA 0.948 64.066 63.100 0.029 0.000 0.787 76 P CB -0.057 31.683 31.700 0.067 0.000 0.788 77 L N -0.671 120.523 121.223 -0.049 0.000 2.093 77 L HA -0.048 4.288 4.340 -0.007 0.000 0.208 77 L C 2.091 178.892 176.870 -0.115 0.000 1.085 77 L CA 1.491 56.295 54.840 -0.060 0.000 0.755 77 L CB -1.386 40.656 42.059 -0.028 0.000 0.904 77 L HN -0.107 nan 8.230 nan 0.000 0.435 78 L N -1.348 119.757 121.223 -0.197 0.000 2.027 78 L HA -0.187 4.149 4.340 -0.007 0.000 0.206 78 L C 2.343 178.985 176.870 -0.380 0.000 1.074 78 L CA 1.384 56.032 54.840 -0.320 0.000 0.745 78 L CB -0.191 41.583 42.059 -0.475 0.000 0.898 78 L HN 0.263 nan 8.230 nan 0.000 0.433 79 L N -0.727 120.255 121.223 -0.401 0.000 2.191 79 L HA -0.188 4.148 4.340 -0.007 0.000 0.212 79 L C 2.358 179.167 176.870 -0.101 0.000 1.103 79 L CA 1.362 56.033 54.840 -0.282 0.000 0.769 79 L CB -0.838 41.089 42.059 -0.220 0.000 0.908 79 L HN 0.335 nan 8.230 nan 0.000 0.438 80 T N -0.421 114.077 114.554 -0.094 0.000 2.809 80 T HA -0.111 4.235 4.350 -0.007 0.000 0.260 80 T C 1.920 176.628 174.700 0.013 0.000 1.039 80 T CA 1.495 63.573 62.100 -0.036 0.000 1.141 80 T CB -0.192 68.644 68.868 -0.053 0.000 0.869 80 T HN 0.336 nan 8.240 nan 0.000 0.437 81 V N 0.634 120.526 119.914 -0.038 0.000 2.667 81 V HA 0.169 4.285 4.120 -0.007 0.000 0.252 81 V C 2.585 178.665 176.094 -0.024 0.000 1.065 81 V CA 1.171 63.455 62.300 -0.027 0.000 1.083 81 V CB -1.442 30.350 31.823 -0.052 0.000 0.692 81 V HN 0.400 nan 8.190 nan 0.000 0.468 82 A N -0.089 122.698 122.820 -0.055 0.000 1.930 82 A HA -0.038 4.278 4.320 -0.007 0.000 0.217 82 A C 2.018 179.619 177.584 0.028 0.000 1.175 82 A CA 1.785 53.797 52.037 -0.043 0.000 0.627 82 A CB -0.731 18.208 19.000 -0.101 0.000 0.815 82 A HN 0.597 nan 8.150 nan 0.000 0.443 83 F N 0.305 120.223 119.950 -0.054 0.000 2.098 83 F HA -0.006 4.517 4.527 -0.008 0.000 0.294 83 F C 1.961 177.752 175.800 -0.013 0.000 1.107 83 F CA 1.448 59.436 58.000 -0.021 0.000 1.234 83 F CB -0.247 38.741 39.000 -0.019 0.000 1.002 83 F HN 0.101 nan 8.300 nan 0.000 0.472 84 L N -0.920 120.481 121.223 0.296 0.000 2.131 84 L HA -0.276 4.060 4.340 -0.007 0.000 0.210 84 L C 2.474 179.386 176.870 0.071 0.000 1.092 84 L CA 1.052 56.007 54.840 0.192 0.000 0.759 84 L CB -0.800 41.328 42.059 0.116 0.000 0.903 84 L HN 0.313 nan 8.230 nan 0.000 0.435 85 C N -1.347 117.967 119.300 0.022 0.000 2.457 85 C HA -0.088 4.368 4.460 -0.007 0.000 0.278 85 C C 3.019 177.991 174.990 -0.031 0.000 1.309 85 C CA 0.820 59.826 59.018 -0.019 0.000 1.735 85 C CB -0.488 27.223 27.740 -0.048 0.000 1.992 85 C HN 0.462 nan 8.230 nan 0.000 0.493 86 S N 0.773 116.438 115.700 -0.058 0.000 2.414 86 S HA 0.040 4.506 4.470 -0.007 0.000 0.227 86 S C 2.129 176.674 174.600 -0.092 0.000 1.022 86 S CA 0.975 59.124 58.200 -0.086 0.000 0.958 86 S CB -0.293 62.827 63.200 -0.134 0.000 0.797 86 S HN 0.677 nan 8.310 nan 0.000 0.493 87 A N 1.367 124.113 122.820 -0.124 0.000 1.855 87 A HA -0.034 4.282 4.320 -0.007 0.000 0.215 87 A C 2.288 179.900 177.584 0.047 0.000 1.191 87 A CA 1.492 53.491 52.037 -0.064 0.000 0.613 87 A CB -1.020 18.011 19.000 0.051 0.000 0.829 87 A HN 0.318 nan 8.150 nan 0.000 0.442 88 V N -0.124 119.829 119.914 0.064 0.000 2.407 88 V HA -0.238 3.878 4.120 -0.007 0.000 0.248 88 V C 2.528 178.704 176.094 0.137 0.000 1.055 88 V CA 1.934 64.290 62.300 0.094 0.000 1.049 88 V CB -0.681 31.183 31.823 0.068 0.000 0.662 88 V HN 0.534 nan 8.190 nan 0.000 0.455 89 L N -0.422 120.854 121.223 0.089 0.000 2.217 89 L HA -0.052 4.284 4.340 -0.007 0.000 0.211 89 L C 2.548 179.535 176.870 0.195 0.000 1.107 89 L CA 1.208 56.110 54.840 0.104 0.000 0.783 89 L CB -0.508 41.560 42.059 0.016 0.000 0.919 89 L HN 0.341 nan 8.230 nan 0.000 0.442 90 A N -0.564 122.368 122.820 0.186 0.000 1.874 90 A HA -0.168 4.148 4.320 -0.007 0.000 0.214 90 A C 2.299 180.136 177.584 0.421 0.000 1.189 90 A CA 1.093 53.313 52.037 0.305 0.000 0.615 90 A CB -0.353 18.816 19.000 0.282 0.000 0.830 90 A HN 0.246 nan 8.150 nan 0.000 0.443 91 M N -1.798 117.963 119.600 0.269 0.000 2.082 91 M HA -0.186 4.290 4.480 -0.007 0.000 0.258 91 M C 2.160 178.644 176.300 0.306 0.000 1.069 91 M CA 1.969 57.407 55.300 0.229 0.000 1.102 91 M CB -0.564 32.117 32.600 0.135 0.000 1.336 91 M HN 0.545 nan 8.290 nan 0.000 0.404 92 F N 0.721 120.778 119.950 0.178 0.000 2.126 92 F HA -0.144 4.379 4.527 -0.007 0.000 0.299 92 F C 2.172 178.119 175.800 0.244 0.000 1.096 92 F CA 1.859 59.985 58.000 0.210 0.000 1.255 92 F CB -0.648 38.442 39.000 0.150 0.000 0.997 92 F HN 0.086 nan 8.300 nan 0.000 0.479 93 G N -1.276 107.774 108.800 0.416 0.000 2.414 93 G HA2 -0.281 3.675 3.960 -0.007 0.000 0.215 93 G HA3 -0.281 3.675 3.960 -0.007 0.000 0.215 93 G C 1.393 176.333 174.900 0.067 0.000 1.188 93 G CA 0.884 46.123 45.100 0.233 0.000 0.783 93 G HN 0.419 nan 8.290 nan 0.000 0.537 94 Y N -0.167 120.148 120.300 0.025 0.000 2.165 94 Y HA -0.054 4.492 4.550 -0.007 0.000 0.286 94 Y C 2.378 178.210 175.900 -0.114 0.000 1.155 94 Y CA 1.333 59.369 58.100 -0.107 0.000 1.164 94 Y CB -0.605 37.793 38.460 -0.103 0.000 0.978 94 Y HN 0.260 nan 8.280 nan 0.000 0.513 95 F N -0.192 119.766 119.950 0.013 0.000 2.075 95 F HA -0.244 4.279 4.527 -0.007 0.000 0.297 95 F C 2.046 177.808 175.800 -0.063 0.000 1.113 95 F CA 1.248 59.213 58.000 -0.057 0.000 1.218 95 F CB -0.411 38.541 39.000 -0.079 0.000 0.984 95 F HN -0.106 nan 8.300 nan 0.000 0.472 96 L N 0.229 121.267 121.223 -0.308 0.000 2.189 96 L HA -0.207 4.129 4.340 -0.007 0.000 0.214 96 L C 2.317 179.066 176.870 -0.202 0.000 1.097 96 L CA 1.205 55.845 54.840 -0.332 0.000 0.764 96 L CB -1.204 40.730 42.059 -0.209 0.000 0.900 96 L HN 0.201 nan 8.230 nan 0.000 0.436 97 V N -0.797 118.996 119.914 -0.202 0.000 2.273 97 V HA -0.158 3.958 4.120 -0.007 0.000 0.242 97 V C 2.614 178.557 176.094 -0.252 0.000 1.035 97 V CA 1.106 63.276 62.300 -0.215 0.000 1.013 97 V CB -0.433 31.224 31.823 -0.276 0.000 0.652 97 V HN 0.345 nan 8.190 nan 0.000 0.452 98 R N 0.449 120.769 120.500 -0.299 0.000 2.120 98 R HA -0.131 4.205 4.340 -0.007 0.000 0.234 98 R C 2.146 178.286 176.300 -0.266 0.000 1.123 98 R CA 1.260 57.190 56.100 -0.283 0.000 0.975 98 R CB -0.406 29.750 30.300 -0.241 0.000 0.866 98 R HN 0.373 nan 8.270 nan 0.000 0.446 99 K N -1.069 119.093 120.400 -0.396 0.000 2.352 99 K HA 0.035 4.351 4.320 -0.007 0.000 0.194 99 K C 0.646 176.840 176.600 -0.676 0.000 1.038 99 K CA 0.823 56.766 56.287 -0.573 0.000 1.023 99 K CB 0.360 32.299 32.500 -0.936 0.000 0.840 99 K HN 0.094 nan 8.250 nan 0.000 0.519 100 Y N -1.600 118.517 120.300 -0.304 0.000 2.437 100 Y HA 0.501 5.047 4.550 -0.007 0.000 0.266 100 Y C -0.387 175.402 175.900 -0.185 0.000 1.077 100 Y CA -0.183 57.786 58.100 -0.217 0.000 1.235 100 Y CB 1.577 39.906 38.460 -0.218 0.000 1.303 100 Y HN -0.005 nan 8.280 nan 0.000 0.536 101 A N 0.191 122.970 122.820 -0.068 0.000 2.599 101 A HA 0.447 4.763 4.320 -0.007 0.000 0.300 101 A C -2.641 174.861 177.584 -0.137 0.000 1.151 101 A CA -0.835 51.134 52.037 -0.114 0.000 0.883 101 A CB 0.447 19.372 19.000 -0.125 0.000 1.480 101 A HN -0.058 nan 8.150 nan 0.000 0.401 102 P HA -0.126 nan 4.420 nan 0.000 0.223 102 P C 1.220 178.452 177.300 -0.113 0.000 1.151 102 P CA 1.432 64.451 63.100 -0.135 0.000 0.787 102 P CB 0.234 31.880 31.700 -0.090 0.000 0.788 103 E N 0.008 120.147 120.200 -0.102 0.000 2.274 103 E HA -0.027 4.319 4.350 -0.007 0.000 0.194 103 E C 1.569 178.113 176.600 -0.093 0.000 0.996 103 E CA 0.805 57.154 56.400 -0.085 0.000 0.840 103 E CB -0.729 28.918 29.700 -0.088 0.000 0.772 103 E HN 0.106 nan 8.360 nan 0.000 0.491 104 A N 1.713 124.463 122.820 -0.115 0.000 2.251 104 A HA 0.272 4.588 4.320 -0.007 0.000 0.209 104 A C 1.231 178.739 177.584 -0.127 0.000 1.187 104 A CA 0.293 52.263 52.037 -0.113 0.000 0.823 104 A CB -0.285 18.649 19.000 -0.111 0.000 0.846 104 A HN 0.284 nan 8.150 nan 0.000 0.486 105 G N -1.793 106.917 108.800 -0.149 0.000 2.616 105 G HA2 0.521 4.477 3.960 -0.007 0.000 0.268 105 G HA3 0.521 4.477 3.960 -0.007 0.000 0.268 105 G C 0.883 175.700 174.900 -0.138 0.000 1.213 105 G CA 0.101 45.091 45.100 -0.183 0.000 0.926 105 G HN 1.399 nan 8.290 nan 0.000 0.523 106 G N -0.437 108.256 108.800 -0.179 0.000 2.582 106 G HA2 -0.264 3.692 3.960 -0.007 0.000 0.288 106 G HA3 -0.264 3.692 3.960 -0.007 0.000 0.288 106 G C 1.486 176.373 174.900 -0.021 0.000 1.247 106 G CA 1.066 46.022 45.100 -0.241 0.000 0.972 106 G HN 1.464 nan 8.290 nan 0.000 0.557 107 S N -0.504 115.294 115.700 0.163 0.000 2.325 107 S HA 0.296 4.762 4.470 -0.007 0.000 0.213 107 S C 2.372 177.027 174.600 0.091 0.000 1.031 107 S CA 2.723 61.110 58.200 0.312 0.000 0.984 107 S CB -0.763 62.781 63.200 0.574 0.000 0.939 107 S HN 2.775 nan 8.310 nan 0.000 0.438 108 G N 0.041 108.873 108.800 0.053 0.000 2.195 108 G HA2 -0.192 3.764 3.960 -0.007 0.000 0.224 108 G HA3 -0.192 3.764 3.960 -0.007 0.000 0.224 108 G C 0.816 175.684 174.900 -0.053 0.000 0.990 108 G CA 0.388 45.479 45.100 -0.016 0.000 0.639 108 G HN 0.519 nan 8.290 nan 0.000 0.514 109 I N 1.284 121.785 120.570 -0.116 0.000 2.315 109 I HA -0.047 4.119 4.170 -0.007 0.000 0.248 109 I C 0.159 176.151 176.117 -0.209 0.000 1.117 109 I CA 1.336 62.473 61.300 -0.270 0.000 1.404 109 I CB -0.825 36.758 38.000 -0.696 0.000 1.071 109 I HN 0.145 nan 8.210 nan 0.000 0.419 110 P HA -0.175 nan 4.420 nan 0.000 0.216 110 P C 1.442 178.759 177.300 0.029 0.000 1.150 110 P CA 1.330 64.466 63.100 0.060 0.000 0.837 110 P CB 0.116 31.914 31.700 0.163 0.000 0.786 111 E N -0.416 119.789 120.200 0.008 0.000 2.031 111 E HA -0.147 4.199 4.350 -0.007 0.000 0.193 111 E C 1.919 178.514 176.600 -0.007 0.000 0.994 111 E CA 1.108 57.507 56.400 -0.001 0.000 0.800 111 E CB -0.806 28.883 29.700 -0.018 0.000 0.752 111 E HN 0.019 nan 8.360 nan 0.000 0.447 112 I N 1.139 121.696 120.570 -0.022 0.000 2.361 112 I HA -0.187 3.979 4.170 -0.007 0.000 0.251 112 I C 2.065 178.170 176.117 -0.021 0.000 1.133 112 I CA 1.297 62.585 61.300 -0.020 0.000 1.413 112 I CB -1.140 36.843 38.000 -0.028 0.000 1.073 112 I HN 0.259 nan 8.210 nan 0.000 0.424 113 E N 1.007 121.192 120.200 -0.026 0.000 2.077 113 E HA -0.167 4.179 4.350 -0.007 0.000 0.193 113 E C 2.320 178.927 176.600 0.011 0.000 0.989 113 E CA 1.365 57.752 56.400 -0.020 0.000 0.800 113 E CB -0.253 29.450 29.700 0.004 0.000 0.746 113 E HN 0.564 nan 8.360 nan 0.000 0.452 114 G N 0.839 109.655 108.800 0.026 0.000 2.422 114 G HA2 -0.181 3.775 3.960 -0.007 0.000 0.218 114 G HA3 -0.181 3.775 3.960 -0.007 0.000 0.218 114 G C 1.647 176.571 174.900 0.041 0.000 1.140 114 G CA 0.735 45.857 45.100 0.037 0.000 0.775 114 G HN 0.327 nan 8.290 nan 0.000 0.545 115 A N 0.470 123.311 122.820 0.035 0.000 1.972 115 A HA 0.140 4.456 4.320 -0.007 0.000 0.219 115 A C 2.320 179.959 177.584 0.091 0.000 1.169 115 A CA 1.009 53.077 52.037 0.051 0.000 0.635 115 A CB -0.284 18.738 19.000 0.037 0.000 0.810 115 A HN 0.358 nan 8.150 nan 0.000 0.446 116 L N -0.681 120.583 121.223 0.068 0.000 2.313 116 L HA -0.030 4.306 4.340 -0.007 0.000 0.214 116 L C 1.914 178.807 176.870 0.039 0.000 1.119 116 L CA 0.616 55.500 54.840 0.073 0.000 0.809 116 L CB -0.174 41.855 42.059 -0.050 0.000 0.933 116 L HN 0.289 nan 8.230 nan 0.000 0.449 117 E N -0.545 119.686 120.200 0.052 0.000 2.489 117 E HA -0.105 4.241 4.350 -0.007 0.000 0.193 117 E C -0.066 176.597 176.600 0.105 0.000 1.057 117 E CA 0.201 56.639 56.400 0.065 0.000 0.866 117 E CB 0.077 29.813 29.700 0.061 0.000 0.916 117 E HN 0.319 nan 8.360 nan 0.000 0.500 118 D N 0.525 121.003 120.400 0.130 0.000 3.012 118 D HA -0.171 4.465 4.640 -0.007 0.000 0.222 118 D C 0.546 176.885 176.300 0.066 0.000 1.167 118 D CA 0.595 54.657 54.000 0.103 0.000 0.854 118 D CB -0.587 40.279 40.800 0.110 0.000 1.107 118 D HN 0.283 nan 8.370 nan 0.000 0.421 119 Q N -0.642 119.192 119.800 0.057 0.000 2.282 119 Q HA 0.117 4.453 4.340 -0.007 0.000 0.206 119 Q C 0.609 176.630 176.000 0.034 0.000 0.878 119 Q CA 0.349 56.177 55.803 0.041 0.000 0.944 119 Q CB 1.035 29.794 28.738 0.036 0.000 1.100 119 Q HN 0.240 nan 8.270 nan 0.000 0.509 120 R N 1.060 121.582 120.500 0.037 0.000 2.744 120 R HA 0.524 4.860 4.340 -0.007 0.000 0.279 120 R C -2.565 173.751 176.300 0.027 0.000 0.977 120 R CA -1.961 54.154 56.100 0.025 0.000 0.906 120 R CB 1.148 31.459 30.300 0.018 0.000 1.197 120 R HN -0.071 nan 8.270 nan 0.000 0.463 121 P HA 0.269 nan 4.420 nan 0.000 0.282 121 P C -0.346 176.943 177.300 -0.019 0.000 1.249 121 P CA -0.510 62.600 63.100 0.017 0.000 0.806 121 P CB 0.994 32.702 31.700 0.013 0.000 0.984 122 V N 3.293 123.212 119.914 0.008 0.000 2.260 122 V HA 0.247 4.363 4.120 -0.007 0.000 0.262 122 V C 0.997 177.018 176.094 -0.120 0.000 1.163 122 V CA -0.453 61.844 62.300 -0.005 0.000 1.194 122 V CB -0.832 31.043 31.823 0.088 0.000 1.339 122 V HN 0.432 nan 8.190 nan 0.000 0.492 123 R N 3.239 123.472 120.500 -0.445 0.000 3.641 123 R HA 0.014 4.350 4.340 -0.007 0.000 0.189 123 R C 1.448 177.059 176.300 -1.148 0.000 1.706 123 R CA -0.102 55.212 56.100 -1.309 0.000 1.311 123 R CB -0.006 29.584 30.300 -1.183 0.000 1.330 123 R HN 0.908 nan 8.270 nan 0.000 0.727 124 W N 1.829 122.769 121.300 -0.601 0.000 2.355 124 W HA -0.240 4.416 4.660 -0.007 0.000 0.309 124 W C 1.021 177.430 176.519 -0.183 0.000 1.206 124 W CA 0.778 57.981 57.345 -0.237 0.000 1.284 124 W CB -1.244 28.213 29.460 -0.006 0.000 1.145 124 W HN 0.552 nan 8.180 nan 0.000 0.502 125 W N 1.916 122.763 121.300 -0.755 0.000 2.359 125 W HA -0.069 4.588 4.660 -0.006 0.000 0.275 125 W C 2.082 178.474 176.519 -0.210 0.000 1.217 125 W CA 1.688 58.674 57.345 -0.598 0.000 1.196 125 W CB -1.238 27.647 29.460 -0.958 0.000 1.129 125 W HN -0.182 nan 8.180 nan 0.000 0.566 126 R N 0.367 120.468 120.500 -0.665 0.000 2.087 126 R HA 0.042 4.378 4.340 -0.007 0.000 0.213 126 R C 2.275 178.449 176.300 -0.210 0.000 1.137 126 R CA 1.121 56.994 56.100 -0.379 0.000 1.022 126 R CB -0.779 29.211 30.300 -0.516 0.000 0.920 126 R HN 0.150 nan 8.270 nan 0.000 0.451 127 V N 2.362 122.127 119.914 -0.248 0.000 2.261 127 V HA -0.245 3.871 4.120 -0.007 0.000 0.246 127 V C 2.503 178.575 176.094 -0.037 0.000 1.047 127 V CA 1.678 63.900 62.300 -0.130 0.000 1.015 127 V CB -0.585 31.158 31.823 -0.133 0.000 0.642 127 V HN 0.263 nan 8.190 nan 0.000 0.446 128 L N 0.531 121.762 121.223 0.013 0.000 1.976 128 L HA -0.196 4.140 4.340 -0.007 0.000 0.223 128 L C 0.375 177.289 176.870 0.072 0.000 1.081 128 L CA 2.499 57.369 54.840 0.050 0.000 0.784 128 L CB -2.286 39.837 42.059 0.108 0.000 0.896 128 L HN 0.380 nan 8.230 nan 0.000 0.438 129 P HA -0.089 nan 4.420 nan 0.000 0.219 129 P C 1.884 179.368 177.300 0.307 0.000 1.150 129 P CA 1.215 64.474 63.100 0.265 0.000 0.814 129 P CB 0.074 31.891 31.700 0.195 0.000 0.787 130 V N 0.559 120.544 119.914 0.117 0.000 2.283 130 V HA -0.164 3.952 4.120 -0.007 0.000 0.243 130 V C 2.771 178.916 176.094 0.084 0.000 1.039 130 V CA 1.995 64.336 62.300 0.068 0.000 1.016 130 V CB -1.022 30.787 31.823 -0.024 0.000 0.650 130 V HN 0.057 nan 8.190 nan 0.000 0.449 131 K N -0.057 120.363 120.400 0.034 0.000 2.025 131 K HA -0.137 4.179 4.320 -0.007 0.000 0.207 131 K C 1.898 178.496 176.600 -0.004 0.000 1.049 131 K CA 1.572 57.845 56.287 -0.023 0.000 0.933 131 K CB -0.584 31.866 32.500 -0.084 0.000 0.714 131 K HN 0.328 nan 8.250 nan 0.000 0.438 132 F N -0.033 119.837 119.950 -0.134 0.000 1.997 132 F HA -0.195 4.329 4.527 -0.006 0.000 0.296 132 F C 1.641 177.422 175.800 -0.031 0.000 1.160 132 F CA 1.889 59.782 58.000 -0.178 0.000 1.176 132 F CB -0.502 38.260 39.000 -0.397 0.000 0.964 132 F HN 0.011 nan 8.300 nan 0.000 0.484 133 F N 0.638 120.847 119.950 0.431 0.000 2.293 133 F HA 0.058 4.581 4.527 -0.007 0.000 0.300 133 F C 2.537 178.503 175.800 0.277 0.000 1.086 133 F CA 1.052 59.256 58.000 0.340 0.000 1.375 133 F CB -1.429 37.815 39.000 0.407 0.000 1.045 133 F HN 0.119 nan 8.300 nan 0.000 0.516 134 G N -0.107 108.903 108.800 0.350 0.000 2.424 134 G HA2 -0.099 3.857 3.960 -0.007 0.000 0.214 134 G HA3 -0.099 3.857 3.960 -0.007 0.000 0.214 134 G C 2.094 177.097 174.900 0.171 0.000 1.202 134 G CA 0.706 45.943 45.100 0.228 0.000 0.793 134 G HN 0.450 nan 8.290 nan 0.000 0.534 135 G N 0.895 109.775 108.800 0.133 0.000 2.469 135 G HA2 -0.220 3.735 3.960 -0.007 0.000 0.219 135 G HA3 -0.220 3.735 3.960 -0.007 0.000 0.219 135 G C 1.812 176.858 174.900 0.243 0.000 1.150 135 G CA 1.021 46.235 45.100 0.189 0.000 0.763 135 G HN 0.377 nan 8.290 nan 0.000 0.561 136 L N 1.143 122.491 121.223 0.208 0.000 2.034 136 L HA -0.100 4.236 4.340 -0.007 0.000 0.217 136 L C 2.921 179.784 176.870 -0.013 0.000 1.077 136 L CA 2.474 57.274 54.840 -0.067 0.000 0.769 136 L CB -0.648 41.347 42.059 -0.107 0.000 0.890 136 L HN 0.246 nan 8.230 nan 0.000 0.435 137 G N -2.190 106.668 108.800 0.097 0.000 2.434 137 G HA2 -0.278 3.678 3.960 -0.007 0.000 0.214 137 G HA3 -0.278 3.678 3.960 -0.007 0.000 0.214 137 G C 1.509 176.457 174.900 0.080 0.000 1.202 137 G CA 1.277 46.438 45.100 0.103 0.000 0.788 137 G HN 0.494 nan 8.290 nan 0.000 0.539 138 T N -0.075 114.533 114.554 0.090 0.000 2.746 138 T HA 0.028 4.374 4.350 -0.007 0.000 0.267 138 T C 2.306 177.039 174.700 0.055 0.000 1.039 138 T CA 0.870 63.012 62.100 0.070 0.000 1.142 138 T CB -0.227 68.647 68.868 0.011 0.000 0.866 138 T HN 0.018 nan 8.240 nan 0.000 0.444 139 L N 1.363 122.617 121.223 0.051 0.000 2.072 139 L HA 0.126 4.462 4.340 -0.007 0.000 0.205 139 L C 3.062 179.918 176.870 -0.023 0.000 1.079 139 L CA 2.081 56.937 54.840 0.027 0.000 0.752 139 L CB -1.724 40.351 42.059 0.027 0.000 0.906 139 L HN 0.529 nan 8.230 nan 0.000 0.436 140 G N -0.805 107.962 108.800 -0.056 0.000 2.471 140 G HA2 -0.151 3.805 3.960 -0.007 0.000 0.219 140 G HA3 -0.151 3.805 3.960 -0.007 0.000 0.219 140 G C 1.479 176.351 174.900 -0.047 0.000 1.125 140 G CA 0.656 45.714 45.100 -0.070 0.000 0.775 140 G HN 0.504 nan 8.290 nan 0.000 0.548 141 G N -0.262 108.526 108.800 -0.020 0.000 2.650 141 G HA2 0.349 4.305 3.960 -0.007 0.000 0.214 141 G HA3 0.349 4.305 3.960 -0.007 0.000 0.214 141 G C 1.153 176.045 174.900 -0.013 0.000 1.136 141 G CA 0.511 45.600 45.100 -0.019 0.000 0.789 141 G HN 1.389 nan 8.290 nan 0.000 0.536 142 G N -0.234 108.566 108.800 -0.000 0.000 2.248 142 G HA2 -0.246 3.710 3.960 -0.007 0.000 0.252 142 G HA3 -0.246 3.710 3.960 -0.007 0.000 0.252 142 G C 0.239 175.153 174.900 0.023 0.000 1.085 142 G CA 0.175 45.282 45.100 0.012 0.000 0.845 142 G HN 0.398 nan 8.290 nan 0.000 0.494 143 M N -0.505 119.117 119.600 0.037 0.000 2.227 143 M HA 0.371 4.847 4.480 -0.007 0.000 0.316 143 M C 1.189 177.525 176.300 0.059 0.000 1.144 143 M CA -0.514 54.819 55.300 0.056 0.000 1.121 143 M CB 1.306 33.957 32.600 0.084 0.000 1.440 143 M HN -0.035 nan 8.290 nan 0.000 0.473 144 V N 4.031 123.985 119.914 0.066 0.000 1.973 144 V HA 0.185 4.301 4.120 -0.007 0.000 0.255 144 V C -0.296 175.851 176.094 0.087 0.000 1.605 144 V CA 0.224 62.556 62.300 0.054 0.000 1.542 144 V CB -1.777 30.071 31.823 0.042 0.000 1.504 144 V HN 0.519 nan 8.190 nan 0.000 0.505 145 L N 1.458 122.734 121.223 0.088 0.000 2.409 145 L HA 0.813 5.149 4.340 -0.007 0.000 0.262 145 L C 0.787 177.717 176.870 0.100 0.000 0.992 145 L CA -0.472 54.443 54.840 0.125 0.000 0.817 145 L CB 1.988 44.141 42.059 0.157 0.000 1.350 145 L HN 0.444 nan 8.230 nan 0.000 0.411 146 G N 0.299 109.166 108.800 0.111 0.000 2.563 146 G HA2 0.359 4.315 3.960 -0.007 0.000 0.283 146 G HA3 0.359 4.315 3.960 -0.007 0.000 0.283 146 G C 0.386 175.367 174.900 0.134 0.000 1.309 146 G CA -0.365 44.804 45.100 0.114 0.000 1.022 146 G HN 0.699 nan 8.290 nan 0.000 0.501 147 R N -0.899 119.665 120.500 0.106 0.000 2.173 147 R HA 0.049 4.385 4.340 -0.007 0.000 0.208 147 R C 2.402 178.638 176.300 -0.108 0.000 1.035 147 R CA 0.762 56.920 56.100 0.096 0.000 1.004 147 R CB 0.050 30.398 30.300 0.081 0.000 0.917 147 R HN 0.609 nan 8.270 nan 0.000 0.462 148 E N 0.192 120.283 120.200 -0.182 0.000 2.026 148 E HA -0.202 4.144 4.350 -0.007 0.000 0.206 148 E C 1.932 178.427 176.600 -0.174 0.000 1.028 148 E CA 1.628 57.872 56.400 -0.260 0.000 0.845 148 E CB -1.027 28.538 29.700 -0.225 0.000 0.772 148 E HN 0.360 nan 8.360 nan 0.000 0.462 149 G N 1.788 110.562 108.800 -0.043 0.000 2.833 149 G HA2 -0.314 3.642 3.960 -0.007 0.000 0.226 149 G HA3 -0.314 3.642 3.960 -0.007 0.000 0.226 149 G C -0.846 173.978 174.900 -0.127 0.000 1.228 149 G CA 1.832 46.923 45.100 -0.015 0.000 0.779 149 G HN 0.297 nan 8.290 nan 0.000 0.651 150 P HA -0.138 nan 4.420 nan 0.000 0.215 150 P C 2.357 179.412 177.300 -0.408 0.000 1.163 150 P CA 2.924 65.786 63.100 -0.396 0.000 0.894 150 P CB -0.510 30.728 31.700 -0.769 0.000 0.791 151 T N -3.559 110.755 114.554 -0.399 0.000 2.904 151 T HA -0.045 4.301 4.350 -0.007 0.000 0.267 151 T C 1.824 176.400 174.700 -0.207 0.000 1.059 151 T CA 0.899 62.818 62.100 -0.303 0.000 1.137 151 T CB -1.399 67.308 68.868 -0.268 0.000 0.879 151 T HN -0.128 nan 8.240 nan 0.000 0.467 152 V N 1.786 121.584 119.914 -0.194 0.000 2.270 152 V HA -0.198 3.918 4.120 -0.007 0.000 0.245 152 V C 2.928 178.966 176.094 -0.094 0.000 1.043 152 V CA 2.091 64.314 62.300 -0.129 0.000 1.014 152 V CB -0.916 30.831 31.823 -0.126 0.000 0.645 152 V HN 0.491 nan 8.190 nan 0.000 0.447 153 Q N -0.108 119.628 119.800 -0.106 0.000 1.975 153 Q HA -0.218 4.118 4.340 -0.007 0.000 0.205 153 Q C 2.261 178.211 176.000 -0.083 0.000 0.990 153 Q CA 2.419 58.170 55.803 -0.086 0.000 0.845 153 Q CB -0.302 28.381 28.738 -0.091 0.000 0.913 153 Q HN 0.599 nan 8.270 nan 0.000 0.420 154 I N 0.553 121.055 120.570 -0.114 0.000 2.181 154 I HA -0.343 3.823 4.170 -0.007 0.000 0.247 154 I C 2.269 178.342 176.117 -0.074 0.000 1.081 154 I CA 1.324 62.569 61.300 -0.092 0.000 1.340 154 I CB -0.830 37.095 38.000 -0.125 0.000 1.036 154 I HN 0.498 nan 8.210 nan 0.000 0.417 155 G N 0.423 109.170 108.800 -0.088 0.000 2.545 155 G HA2 -0.260 3.696 3.960 -0.007 0.000 0.217 155 G HA3 -0.260 3.696 3.960 -0.007 0.000 0.217 155 G C 1.687 176.554 174.900 -0.055 0.000 1.218 155 G CA 0.989 46.045 45.100 -0.073 0.000 0.787 155 G HN 0.508 nan 8.290 nan 0.000 0.571 156 G N 0.899 109.673 108.800 -0.043 0.000 2.440 156 G HA2 -0.266 3.690 3.960 -0.007 0.000 0.218 156 G HA3 -0.266 3.690 3.960 -0.007 0.000 0.218 156 G C 1.751 176.642 174.900 -0.016 0.000 1.154 156 G CA 1.334 46.418 45.100 -0.026 0.000 0.767 156 G HN 0.501 nan 8.290 nan 0.000 0.552 157 N N 0.352 119.049 118.700 -0.005 0.000 2.244 157 N HA -0.029 4.707 4.740 -0.007 0.000 0.183 157 N C 2.067 177.568 175.510 -0.016 0.000 1.016 157 N CA 0.646 53.722 53.050 0.043 0.000 0.866 157 N CB -0.062 38.470 38.487 0.074 0.000 0.980 157 N HN 0.207 nan 8.380 nan 0.000 0.430 158 I N 0.356 120.892 120.570 -0.056 0.000 2.179 158 I HA -0.126 4.040 4.170 -0.007 0.000 0.242 158 I C 2.335 178.366 176.117 -0.144 0.000 1.088 158 I CA 1.364 62.597 61.300 -0.112 0.000 1.357 158 I CB -1.529 36.416 38.000 -0.090 0.000 1.051 158 I HN 0.197 nan 8.210 nan 0.000 0.409 159 G N 0.482 109.223 108.800 -0.099 0.000 2.432 159 G HA2 -0.291 3.665 3.960 -0.007 0.000 0.219 159 G HA3 -0.291 3.665 3.960 -0.007 0.000 0.219 159 G C 1.849 176.694 174.900 -0.090 0.000 1.135 159 G CA 0.752 45.798 45.100 -0.090 0.000 0.767 159 G HN 0.242 nan 8.290 nan 0.000 0.550 160 R N 0.132 120.582 120.500 -0.082 0.000 2.073 160 R HA 0.147 4.483 4.340 -0.007 0.000 0.229 160 R C 2.417 178.587 176.300 -0.216 0.000 1.120 160 R CA 1.517 57.585 56.100 -0.054 0.000 0.967 160 R CB -0.653 29.688 30.300 0.068 0.000 0.862 160 R HN 0.362 nan 8.270 nan 0.000 0.436 161 M N 0.246 119.527 119.600 -0.532 0.000 2.080 161 M HA -0.161 4.315 4.480 -0.007 0.000 0.260 161 M C 1.801 177.799 176.300 -0.503 0.000 1.068 161 M CA 2.388 57.026 55.300 -1.102 0.000 1.109 161 M CB -0.083 31.788 32.600 -1.215 0.000 1.342 161 M HN 0.174 nan 8.290 nan 0.000 0.405 162 V N -1.171 118.602 119.914 -0.235 0.000 2.809 162 V HA -0.137 3.979 4.120 -0.007 0.000 0.256 162 V C 2.065 178.221 176.094 0.103 0.000 1.080 162 V CA 1.201 63.513 62.300 0.021 0.000 1.102 162 V CB -1.145 30.669 31.823 -0.013 0.000 0.705 162 V HN 0.588 nan 8.190 nan 0.000 0.475 163 L N 1.063 122.289 121.223 0.005 0.000 2.156 163 L HA 0.013 4.349 4.340 -0.007 0.000 0.208 163 L C 2.058 178.974 176.870 0.078 0.000 1.095 163 L CA 2.142 57.009 54.840 0.045 0.000 0.770 163 L CB -0.628 41.442 42.059 0.018 0.000 0.914 163 L HN 0.274 nan 8.230 nan 0.000 0.439 164 D N -0.363 120.069 120.400 0.053 0.000 2.149 164 D HA -0.046 4.590 4.640 -0.007 0.000 0.206 164 D C 2.321 178.660 176.300 0.064 0.000 0.967 164 D CA 1.511 55.574 54.000 0.105 0.000 0.848 164 D CB -0.068 40.882 40.800 0.250 0.000 0.998 164 D HN 0.397 nan 8.370 nan 0.000 0.474 165 I N -0.081 120.488 120.570 -0.002 0.000 2.394 165 I HA -0.201 3.965 4.170 -0.007 0.000 0.251 165 I C 1.389 177.372 176.117 -0.224 0.000 1.136 165 I CA 0.932 62.166 61.300 -0.110 0.000 1.425 165 I CB -0.046 37.843 38.000 -0.185 0.000 1.079 165 I HN -0.126 nan 8.210 nan 0.000 0.425 166 F N 0.251 120.188 119.950 -0.021 0.000 2.727 166 F HA 0.241 4.764 4.527 -0.007 0.000 0.302 166 F C 0.707 176.509 175.800 0.003 0.000 1.097 166 F CA -0.257 57.741 58.000 -0.003 0.000 1.330 166 F CB 0.239 39.242 39.000 0.005 0.000 1.084 166 F HN -0.154 nan 8.300 nan 0.000 0.578 167 R N 1.047 121.622 120.500 0.125 0.000 3.416 167 R HA -0.185 4.151 4.340 -0.007 0.000 0.263 167 R C -0.629 175.719 176.300 0.081 0.000 1.053 167 R CA 0.270 56.418 56.100 0.080 0.000 0.705 167 R CB -2.593 27.734 30.300 0.044 0.000 1.124 167 R HN 0.348 nan 8.270 nan 0.000 0.444 168 L N 1.065 122.343 121.223 0.091 0.000 2.418 168 L HA 0.165 4.501 4.340 -0.007 0.000 0.274 168 L C 1.242 178.135 176.870 0.037 0.000 1.135 168 L CA 0.364 55.242 54.840 0.064 0.000 0.870 168 L CB 0.562 42.654 42.059 0.056 0.000 1.154 168 L HN 0.010 nan 8.230 nan 0.000 0.462 169 K N 2.907 123.324 120.400 0.029 0.000 2.143 169 K HA 0.650 4.965 4.320 -0.007 0.000 0.272 169 K C 0.002 176.607 176.600 0.008 0.000 1.001 169 K CA 0.143 56.441 56.287 0.017 0.000 0.915 169 K CB 1.398 33.909 32.500 0.018 0.000 1.047 169 K HN 0.783 nan 8.250 nan 0.000 0.458 170 G N 2.688 111.486 108.800 -0.003 0.000 2.392 170 G HA2 -0.138 3.818 3.960 -0.007 0.000 0.677 170 G HA3 -0.138 3.818 3.960 -0.007 0.000 0.677 170 G C -0.381 174.496 174.900 -0.039 0.000 1.334 170 G CA -0.580 44.514 45.100 -0.009 0.000 0.961 170 G HN 0.629 nan 8.290 nan 0.000 0.616 171 D N -0.484 119.895 120.400 -0.036 0.000 2.123 171 D HA -0.004 4.632 4.640 -0.007 0.000 0.200 171 D C 2.092 178.359 176.300 -0.056 0.000 0.976 171 D CA 1.413 55.366 54.000 -0.077 0.000 0.831 171 D CB 0.084 40.884 40.800 -0.000 0.000 0.974 171 D HN 0.570 nan 8.370 nan 0.000 0.469 172 E N 0.088 120.290 120.200 0.005 0.000 2.031 172 E HA -0.163 4.183 4.350 -0.007 0.000 0.193 172 E C 1.910 178.517 176.600 0.012 0.000 0.994 172 E CA 1.053 57.469 56.400 0.027 0.000 0.800 172 E CB -0.010 29.709 29.700 0.032 0.000 0.752 172 E HN 0.175 nan 8.360 nan 0.000 0.447 173 A N 1.072 123.890 122.820 -0.003 0.000 2.015 173 A HA -0.166 4.150 4.320 -0.007 0.000 0.219 173 A C 2.078 179.650 177.584 -0.019 0.000 1.163 173 A CA 1.301 53.335 52.037 -0.004 0.000 0.646 173 A CB -0.387 18.614 19.000 0.002 0.000 0.806 173 A HN 0.154 nan 8.150 nan 0.000 0.448 174 R N -1.297 119.166 120.500 -0.062 0.000 2.055 174 R HA -0.079 4.257 4.340 -0.007 0.000 0.226 174 R C 1.983 178.245 176.300 -0.064 0.000 1.135 174 R CA 1.488 57.532 56.100 -0.094 0.000 0.959 174 R CB -0.408 29.784 30.300 -0.179 0.000 0.854 174 R HN 0.711 nan 8.270 nan 0.000 0.431 175 H N -0.899 118.161 119.070 -0.017 0.000 2.389 175 H HA -0.037 4.515 4.556 -0.007 0.000 0.299 175 H C 1.908 177.210 175.328 -0.044 0.000 1.081 175 H CA 1.771 57.798 56.048 -0.036 0.000 1.345 175 H CB 0.213 29.941 29.762 -0.057 0.000 1.393 175 H HN 0.223 nan 8.280 nan 0.000 0.520 176 T N 0.808 115.413 114.554 0.085 0.000 2.668 176 T HA -0.075 4.271 4.350 -0.007 0.000 0.262 176 T C 1.952 176.657 174.700 0.008 0.000 1.045 176 T CA 0.819 62.937 62.100 0.031 0.000 1.152 176 T CB -0.198 68.682 68.868 0.021 0.000 0.864 176 T HN 0.216 nan 8.240 nan 0.000 0.419 177 L N 0.866 122.088 121.223 -0.000 0.000 2.549 177 L HA 0.041 4.376 4.340 -0.007 0.000 0.229 177 L C 2.163 179.023 176.870 -0.018 0.000 1.158 177 L CA 0.443 55.271 54.840 -0.020 0.000 0.842 177 L CB -0.441 41.599 42.059 -0.032 0.000 0.952 177 L HN 0.233 nan 8.230 nan 0.000 0.452 178 L N -0.179 121.047 121.223 0.004 0.000 2.168 178 L HA 0.103 4.439 4.340 -0.007 0.000 0.203 178 L C 2.569 179.435 176.870 -0.006 0.000 1.078 178 L CA 1.614 56.459 54.840 0.009 0.000 0.780 178 L CB -0.449 41.635 42.059 0.043 0.000 0.939 178 L HN 0.061 nan 8.230 nan 0.000 0.451 179 A N -0.828 121.988 122.820 -0.008 0.000 1.855 179 A HA -0.213 4.103 4.320 -0.007 0.000 0.215 179 A C 2.396 179.959 177.584 -0.036 0.000 1.191 179 A CA 2.436 54.451 52.037 -0.037 0.000 0.613 179 A CB -1.453 17.517 19.000 -0.049 0.000 0.829 179 A HN 0.562 nan 8.150 nan 0.000 0.442 180 T N -1.677 112.859 114.554 -0.030 0.000 2.720 180 T HA -0.025 4.321 4.350 -0.007 0.000 0.268 180 T C 1.925 176.601 174.700 -0.040 0.000 1.037 180 T CA 2.096 64.175 62.100 -0.035 0.000 1.144 180 T CB -1.084 67.764 68.868 -0.032 0.000 0.864 180 T HN 0.515 nan 8.240 nan 0.000 0.444 181 G N 1.501 110.276 108.800 -0.042 0.000 2.553 181 G HA2 -0.127 3.829 3.960 -0.007 0.000 0.218 181 G HA3 -0.127 3.829 3.960 -0.007 0.000 0.218 181 G C 2.021 176.896 174.900 -0.042 0.000 1.195 181 G CA 1.451 46.523 45.100 -0.048 0.000 0.779 181 G HN 0.871 nan 8.290 nan 0.000 0.577 182 A N 0.716 123.522 122.820 -0.024 0.000 1.972 182 A HA 0.325 4.641 4.320 -0.007 0.000 0.219 182 A C 2.765 180.370 177.584 0.035 0.000 1.169 182 A CA 2.226 54.265 52.037 0.003 0.000 0.635 182 A CB -0.598 18.417 19.000 0.025 0.000 0.810 182 A HN 0.845 nan 8.150 nan 0.000 0.446 183 A N -0.051 122.780 122.820 0.018 0.000 1.854 183 A HA 0.254 4.570 4.320 -0.007 0.000 0.214 183 A C 2.457 180.023 177.584 -0.030 0.000 1.192 183 A CA 1.739 53.790 52.037 0.024 0.000 0.611 183 A CB -1.089 17.901 19.000 -0.018 0.000 0.832 183 A HN 1.083 nan 8.150 nan 0.000 0.442 184 A N -0.487 122.302 122.820 -0.051 0.000 2.125 184 A HA 0.183 4.499 4.320 -0.007 0.000 0.219 184 A C 2.183 179.718 177.584 -0.082 0.000 1.156 184 A CA 1.686 53.684 52.037 -0.066 0.000 0.671 184 A CB -1.106 17.858 19.000 -0.060 0.000 0.794 184 A HN 0.666 nan 8.150 nan 0.000 0.459 185 G N -0.055 108.695 108.800 -0.083 0.000 2.434 185 G HA2 -0.107 3.849 3.960 -0.007 0.000 0.214 185 G HA3 -0.107 3.849 3.960 -0.007 0.000 0.214 185 G C 1.447 176.244 174.900 -0.172 0.000 1.202 185 G CA 1.052 46.081 45.100 -0.119 0.000 0.788 185 G HN 0.469 nan 8.290 nan 0.000 0.539 186 L N 1.257 122.379 121.223 -0.168 0.000 2.093 186 L HA 0.192 4.528 4.340 -0.007 0.000 0.208 186 L C 3.093 179.865 176.870 -0.163 0.000 1.085 186 L CA 1.964 56.665 54.840 -0.232 0.000 0.755 186 L CB -0.476 41.409 42.059 -0.290 0.000 0.904 186 L HN 0.241 nan 8.230 nan 0.000 0.435 187 A N -0.521 122.226 122.820 -0.121 0.000 1.940 187 A HA -0.134 4.182 4.320 -0.007 0.000 0.219 187 A C 2.328 179.808 177.584 -0.174 0.000 1.176 187 A CA 1.764 53.736 52.037 -0.109 0.000 0.631 187 A CB -1.007 17.938 19.000 -0.092 0.000 0.814 187 A HN 0.533 nan 8.150 nan 0.000 0.446 188 A N -1.062 121.638 122.820 -0.199 0.000 2.178 188 A HA 0.488 4.804 4.320 -0.007 0.000 0.211 188 A C 2.168 179.488 177.584 -0.439 0.000 1.157 188 A CA 1.206 53.078 52.037 -0.275 0.000 0.780 188 A CB -0.491 18.443 19.000 -0.110 0.000 0.828 188 A HN 0.885 nan 8.150 nan 0.000 0.476 189 A N -1.633 120.938 122.820 -0.415 0.000 2.021 189 A HA 0.320 4.636 4.320 -0.007 0.000 0.216 189 A C 1.309 178.424 177.584 -0.782 0.000 1.163 189 A CA 0.844 52.534 52.037 -0.579 0.000 0.676 189 A CB -0.320 18.270 19.000 -0.682 0.000 0.818 189 A HN 0.491 nan 8.150 nan 0.000 0.453 190 F N -1.905 117.840 119.950 -0.341 0.000 2.781 190 F HA 0.195 4.718 4.527 -0.007 0.000 0.322 190 F C 0.844 176.431 175.800 -0.356 0.000 1.108 190 F CA 0.050 57.866 58.000 -0.307 0.000 1.179 190 F CB 0.366 39.254 39.000 -0.187 0.000 1.072 190 F HN 0.298 nan 8.300 nan 0.000 0.545 191 N N 1.726 120.185 118.700 -0.402 0.000 2.714 191 N HA -0.252 4.484 4.740 -0.007 0.000 0.250 191 N C -0.568 174.889 175.510 -0.088 0.000 1.117 191 N CA 0.753 53.610 53.050 -0.322 0.000 0.719 191 N CB -0.829 37.541 38.487 -0.195 0.000 1.081 191 N HN 0.283 nan 8.380 nan 0.000 0.557 192 A N -0.333 122.454 122.820 -0.055 0.000 2.786 192 A HA 0.506 4.822 4.320 -0.007 0.000 0.346 192 A C -1.100 176.457 177.584 -0.046 0.000 1.265 192 A CA -0.967 51.054 52.037 -0.027 0.000 0.858 192 A CB 0.952 19.945 19.000 -0.012 0.000 1.118 192 A HN 0.238 nan 8.150 nan 0.000 0.482 193 P HA -0.233 nan 4.420 nan 0.000 0.213 193 P C 1.660 178.887 177.300 -0.122 0.000 1.170 193 P CA 1.122 64.171 63.100 -0.086 0.000 0.902 193 P CB 0.043 31.704 31.700 -0.065 0.000 0.789 194 L N -0.682 120.481 121.223 -0.100 0.000 2.043 194 L HA -0.221 4.115 4.340 -0.007 0.000 0.212 194 L C 2.807 179.634 176.870 -0.072 0.000 1.075 194 L CA 1.926 56.705 54.840 -0.102 0.000 0.752 194 L CB -1.490 40.542 42.059 -0.045 0.000 0.891 194 L HN -0.026 nan 8.230 nan 0.000 0.432 195 A N 0.477 123.269 122.820 -0.047 0.000 1.940 195 A HA -0.147 4.169 4.320 -0.007 0.000 0.219 195 A C 2.422 180.011 177.584 0.008 0.000 1.176 195 A CA 1.864 53.887 52.037 -0.022 0.000 0.631 195 A CB -1.235 17.733 19.000 -0.053 0.000 0.814 195 A HN 0.465 nan 8.150 nan 0.000 0.446 196 G N 0.123 108.908 108.800 -0.025 0.000 2.453 196 G HA2 -0.213 3.743 3.960 -0.007 0.000 0.215 196 G HA3 -0.213 3.743 3.960 -0.007 0.000 0.215 196 G C 1.537 176.450 174.900 0.022 0.000 1.201 196 G CA 1.164 46.267 45.100 0.006 0.000 0.784 196 G HN 0.472 nan 8.290 nan 0.000 0.545 197 I N 0.408 120.918 120.570 -0.100 0.000 2.151 197 I HA -0.152 4.014 4.170 -0.007 0.000 0.243 197 I C 2.576 178.662 176.117 -0.052 0.000 1.080 197 I CA 0.676 61.887 61.300 -0.148 0.000 1.339 197 I CB -0.170 37.614 38.000 -0.360 0.000 1.039 197 I HN 0.072 nan 8.210 nan 0.000 0.409 198 L N -0.403 120.813 121.223 -0.012 0.000 2.275 198 L HA -0.195 4.141 4.340 -0.007 0.000 0.215 198 L C 2.432 179.359 176.870 0.094 0.000 1.119 198 L CA 1.638 56.495 54.840 0.029 0.000 0.790 198 L CB -1.000 41.079 42.059 0.033 0.000 0.919 198 L HN 0.281 nan 8.230 nan 0.000 0.443 199 F N 0.688 120.617 119.950 -0.035 0.000 2.146 199 F HA -0.196 4.327 4.527 -0.006 0.000 0.298 199 F C 2.287 178.075 175.800 -0.021 0.000 1.096 199 F CA 1.171 59.167 58.000 -0.008 0.000 1.275 199 F CB -0.207 38.777 39.000 -0.027 0.000 1.008 199 F HN -0.065 nan 8.300 nan 0.000 0.480 200 I N 1.067 121.516 120.570 -0.202 0.000 2.252 200 I HA -0.179 3.987 4.170 -0.007 0.000 0.245 200 I C 1.702 177.684 176.117 -0.225 0.000 1.102 200 I CA 1.296 62.414 61.300 -0.303 0.000 1.385 200 I CB -0.558 37.344 38.000 -0.162 0.000 1.064 200 I HN 0.264 nan 8.210 nan 0.000 0.414 201 I N -2.481 118.013 120.570 -0.126 0.000 3.771 201 I HA 0.259 4.425 4.170 -0.007 0.000 0.327 201 I C 0.982 177.051 176.117 -0.079 0.000 1.435 201 I CA 0.482 61.726 61.300 -0.094 0.000 1.259 201 I CB -0.288 37.685 38.000 -0.045 0.000 1.292 201 I HN 0.243 nan 8.210 nan 0.000 0.429 202 E N 0.384 120.518 120.200 -0.110 0.000 2.662 202 E HA -0.071 4.275 4.350 -0.007 0.000 0.205 202 E C 1.415 177.951 176.600 -0.107 0.000 1.003 202 E CA 0.293 56.647 56.400 -0.077 0.000 1.685 202 E CB 0.332 30.026 29.700 -0.010 0.000 2.386 202 E HN 0.508 nan 8.360 nan 0.000 1.092 203 Q N -0.267 119.426 119.800 -0.179 0.000 2.606 203 Q HA 0.187 4.523 4.340 -0.007 0.000 0.215 203 Q C 1.870 177.706 176.000 -0.272 0.000 0.908 203 Q CA 0.767 56.462 55.803 -0.178 0.000 0.908 203 Q CB 0.217 28.882 28.738 -0.122 0.000 1.120 203 Q HN 0.117 nan 8.270 nan 0.000 0.628 204 M N 1.678 120.988 119.600 -0.483 0.000 2.159 204 M HA -0.030 4.446 4.480 -0.007 0.000 0.263 204 M C 0.358 176.508 176.300 -0.251 0.000 1.063 204 M CA 0.998 56.056 55.300 -0.405 0.000 1.110 204 M CB -1.067 31.219 32.600 -0.524 0.000 1.374 204 M HN 0.210 nan 8.290 nan 0.000 0.411 205 R N 1.704 122.057 120.500 -0.243 0.000 2.538 205 R HA 0.134 4.470 4.340 -0.007 0.000 0.282 205 R C -2.500 173.685 176.300 -0.193 0.000 1.009 205 R CA -1.310 54.660 56.100 -0.216 0.000 1.063 205 R CB -1.102 29.077 30.300 -0.201 0.000 0.945 205 R HN -0.017 nan 8.270 nan 0.000 0.414 206 P HA -0.102 nan 4.420 nan 0.000 0.247 206 P C -0.334 176.874 177.300 -0.152 0.000 1.141 206 P CA 0.482 63.524 63.100 -0.098 0.000 0.858 206 P CB 0.476 32.111 31.700 -0.109 0.000 0.804 207 Q N 2.103 121.704 119.800 -0.332 0.000 2.472 207 Q HA 0.021 4.357 4.340 -0.007 0.000 0.208 207 Q C 0.454 176.014 176.000 -0.734 0.000 0.958 207 Q CA 1.396 56.800 55.803 -0.664 0.000 0.932 207 Q CB -0.225 27.945 28.738 -0.946 0.000 1.007 207 Q HN 0.452 nan 8.270 nan 0.000 0.508 208 F N -1.433 118.511 119.950 -0.010 0.000 2.740 208 F HA 0.284 4.806 4.527 -0.007 0.000 0.304 208 F C 0.579 176.389 175.800 0.018 0.000 1.098 208 F CA -0.552 57.451 58.000 0.006 0.000 1.258 208 F CB 0.318 39.321 39.000 0.005 0.000 1.061 208 F HN -0.133 nan 8.300 nan 0.000 0.598 209 R N -1.096 119.503 120.500 0.166 0.000 2.919 209 R HA 0.462 4.798 4.340 -0.007 0.000 0.260 209 R C -1.402 174.956 176.300 0.097 0.000 1.067 209 R CA -0.903 55.272 56.100 0.125 0.000 1.003 209 R CB 0.748 31.115 30.300 0.111 0.000 1.192 209 R HN -0.022 nan 8.270 nan 0.000 0.488 210 Y N 0.985 121.287 120.300 0.004 0.000 2.346 210 Y HA 0.285 4.831 4.550 -0.007 0.000 0.330 210 Y C -0.850 175.035 175.900 -0.025 0.000 1.178 210 Y CA 0.505 58.596 58.100 -0.015 0.000 1.331 210 Y CB 1.315 39.774 38.460 -0.002 0.000 1.253 210 Y HN 0.716 nan 8.280 nan 0.000 0.529 211 T N 6.414 120.446 114.554 -0.870 0.000 2.908 211 T HA 0.334 4.680 4.350 -0.007 0.000 0.290 211 T C -0.169 174.070 174.700 -0.768 0.000 1.034 211 T CA -0.802 60.906 62.100 -0.654 0.000 1.010 211 T CB 1.468 70.030 68.868 -0.511 0.000 1.068 211 T HN 0.497 nan 8.240 nan 0.000 0.481 212 L N 1.449 122.491 121.223 -0.302 0.000 2.805 212 L HA 0.350 4.686 4.340 -0.007 0.000 0.237 212 L C 0.003 176.833 176.870 -0.067 0.000 1.252 212 L CA 0.229 54.991 54.840 -0.129 0.000 1.064 212 L CB -0.917 41.162 42.059 0.034 0.000 1.361 212 L HN 0.555 nan 8.230 nan 0.000 0.474 213 I N -0.623 119.861 120.570 -0.143 0.000 2.483 213 I HA -0.018 4.148 4.170 -0.007 0.000 0.291 213 I C 1.012 177.107 176.117 -0.037 0.000 1.112 213 I CA 0.254 61.508 61.300 -0.076 0.000 1.350 213 I CB 0.334 38.263 38.000 -0.118 0.000 1.419 213 I HN 0.096 nan 8.210 nan 0.000 0.523 214 S N 6.502 122.203 115.700 0.001 0.000 2.414 214 S HA 0.263 4.729 4.470 -0.007 0.000 0.290 214 S C 1.298 175.922 174.600 0.040 0.000 1.160 214 S CA -0.536 57.680 58.200 0.026 0.000 1.069 214 S CB 0.101 63.320 63.200 0.031 0.000 1.012 214 S HN 0.520 nan 8.310 nan 0.000 0.510 215 I N 4.880 125.483 120.570 0.055 0.000 2.286 215 I HA -0.148 4.018 4.170 -0.007 0.000 0.248 215 I C 2.498 178.720 176.117 0.174 0.000 1.115 215 I CA 1.060 62.419 61.300 0.097 0.000 1.392 215 I CB -0.218 37.843 38.000 0.101 0.000 1.065 215 I HN 0.615 nan 8.210 nan 0.000 0.418 216 K N 1.505 121.975 120.400 0.116 0.000 2.147 216 K HA -0.173 4.143 4.320 -0.007 0.000 0.205 216 K C 2.195 178.868 176.600 0.121 0.000 1.049 216 K CA 1.398 57.742 56.287 0.095 0.000 0.936 216 K CB -0.060 32.448 32.500 0.014 0.000 0.722 216 K HN 0.325 nan 8.250 nan 0.000 0.446 217 A N 0.550 123.421 122.820 0.084 0.000 1.897 217 A HA -0.064 4.252 4.320 -0.007 0.000 0.215 217 A C 2.179 179.804 177.584 0.067 0.000 1.181 217 A CA 1.254 53.327 52.037 0.060 0.000 0.620 217 A CB -0.493 18.526 19.000 0.032 0.000 0.821 217 A HN 0.149 nan 8.150 nan 0.000 0.443 218 V N -1.056 118.900 119.914 0.071 0.000 2.332 218 V HA -0.292 3.824 4.120 -0.007 0.000 0.248 218 V C 2.239 178.354 176.094 0.034 0.000 1.055 218 V CA 2.215 64.533 62.300 0.029 0.000 1.038 218 V CB -1.023 30.800 31.823 -0.000 0.000 0.651 218 V HN 0.557 nan 8.190 nan 0.000 0.450 219 F N 0.214 120.155 119.950 -0.016 0.000 2.027 219 F HA -0.266 4.257 4.527 -0.006 0.000 0.297 219 F C 2.228 178.016 175.800 -0.020 0.000 1.129 219 F CA 2.502 60.494 58.000 -0.013 0.000 1.195 219 F CB -0.462 38.532 39.000 -0.010 0.000 0.960 219 F HN 0.054 nan 8.300 nan 0.000 0.485 220 I N -0.417 120.277 120.570 0.206 0.000 2.248 220 I HA -0.300 3.866 4.170 -0.007 0.000 0.248 220 I C 2.670 178.802 176.117 0.026 0.000 1.107 220 I CA 1.451 62.807 61.300 0.093 0.000 1.373 220 I CB -1.388 36.637 38.000 0.042 0.000 1.055 220 I HN 0.271 nan 8.210 nan 0.000 0.418 221 G N 0.692 109.494 108.800 0.003 0.000 2.414 221 G HA2 -0.160 3.796 3.960 -0.007 0.000 0.215 221 G HA3 -0.160 3.796 3.960 -0.007 0.000 0.215 221 G C 1.722 176.601 174.900 -0.036 0.000 1.188 221 G CA 0.847 45.926 45.100 -0.034 0.000 0.783 221 G HN 0.247 nan 8.290 nan 0.000 0.537 222 V N 1.323 121.209 119.914 -0.046 0.000 2.343 222 V HA -0.170 3.946 4.120 -0.007 0.000 0.247 222 V C 2.815 178.887 176.094 -0.037 0.000 1.051 222 V CA 1.515 63.771 62.300 -0.074 0.000 1.036 222 V CB -0.386 31.340 31.823 -0.162 0.000 0.654 222 V HN 0.399 nan 8.190 nan 0.000 0.451 223 I N -0.955 119.620 120.570 0.008 0.000 2.127 223 I HA -0.300 3.866 4.170 -0.007 0.000 0.241 223 I C 2.603 178.736 176.117 0.026 0.000 1.075 223 I CA 1.501 62.827 61.300 0.043 0.000 1.334 223 I CB -0.427 37.629 38.000 0.094 0.000 1.040 223 I HN 0.274 nan 8.210 nan 0.000 0.405 224 M N 0.603 120.208 119.600 0.009 0.000 2.086 224 M HA -0.177 4.299 4.480 -0.007 0.000 0.261 224 M C 2.722 179.028 176.300 0.011 0.000 1.067 224 M CA 2.287 57.587 55.300 -0.001 0.000 1.116 224 M CB -1.610 30.970 32.600 -0.034 0.000 1.348 224 M HN 0.394 nan 8.290 nan 0.000 0.407 225 S N -0.960 114.739 115.700 -0.003 0.000 2.423 225 S HA -0.106 4.360 4.470 -0.007 0.000 0.231 225 S C 1.885 176.513 174.600 0.047 0.000 1.014 225 S CA 1.721 59.925 58.200 0.006 0.000 0.965 225 S CB -0.650 62.533 63.200 -0.028 0.000 0.785 225 S HN 0.476 nan 8.310 nan 0.000 0.495 226 T N 2.805 117.383 114.554 0.040 0.000 2.701 226 T HA 0.117 4.463 4.350 -0.007 0.000 0.263 226 T C 1.727 176.511 174.700 0.140 0.000 1.040 226 T CA 1.534 63.682 62.100 0.080 0.000 1.147 226 T CB -0.489 68.405 68.868 0.044 0.000 0.865 226 T HN 0.420 nan 8.240 nan 0.000 0.426 227 I N 1.089 121.717 120.570 0.097 0.000 2.151 227 I HA -0.232 3.934 4.170 -0.007 0.000 0.243 227 I C 2.533 178.728 176.117 0.130 0.000 1.080 227 I CA 1.141 62.500 61.300 0.098 0.000 1.339 227 I CB -0.406 37.632 38.000 0.063 0.000 1.039 227 I HN 0.196 nan 8.210 nan 0.000 0.409 228 M N -0.529 119.145 119.600 0.123 0.000 2.149 228 M HA -0.256 4.219 4.480 -0.007 0.000 0.261 228 M C 2.411 178.836 176.300 0.208 0.000 1.064 228 M CA 1.889 57.279 55.300 0.149 0.000 1.102 228 M CB -1.387 31.256 32.600 0.073 0.000 1.369 228 M HN 0.334 nan 8.290 nan 0.000 0.408 229 Y N 0.757 121.100 120.300 0.072 0.000 2.337 229 Y HA -0.048 4.498 4.550 -0.007 0.000 0.293 229 Y C 2.294 178.279 175.900 0.141 0.000 1.123 229 Y CA 1.361 59.506 58.100 0.076 0.000 1.201 229 Y CB 0.002 38.471 38.460 0.015 0.000 1.011 229 Y HN 0.045 nan 8.280 nan 0.000 0.545 230 R N 0.241 120.842 120.500 0.167 0.000 2.189 230 R HA -0.067 4.269 4.340 -0.007 0.000 0.218 230 R C 1.900 178.246 176.300 0.076 0.000 1.074 230 R CA 0.966 57.121 56.100 0.092 0.000 0.991 230 R CB -0.312 30.073 30.300 0.141 0.000 0.883 230 R HN 0.435 nan 8.270 nan 0.000 0.457 231 I N -0.424 120.220 120.570 0.123 0.000 2.394 231 I HA -0.186 3.980 4.170 -0.007 0.000 0.251 231 I C 1.559 177.668 176.117 -0.013 0.000 1.136 231 I CA 1.401 62.732 61.300 0.051 0.000 1.425 231 I CB -0.682 37.373 38.000 0.091 0.000 1.079 231 I HN -0.017 nan 8.210 nan 0.000 0.425 232 F N 0.346 120.263 119.950 -0.056 0.000 2.678 232 F HA 0.192 4.715 4.527 -0.007 0.000 0.291 232 F C 1.721 177.392 175.800 -0.216 0.000 1.123 232 F CA 0.331 58.283 58.000 -0.080 0.000 1.395 232 F CB -0.141 38.788 39.000 -0.118 0.000 1.121 232 F HN 0.066 nan 8.300 nan 0.000 0.592 233 N N -0.514 118.031 118.700 -0.260 0.000 2.291 233 N HA 0.031 4.767 4.740 -0.007 0.000 0.244 233 N C -0.496 174.807 175.510 -0.344 0.000 1.216 233 N CA -0.116 52.655 53.050 -0.465 0.000 0.879 233 N CB 0.106 38.023 38.487 -0.949 0.000 1.167 233 N HN 0.352 nan 8.380 nan 0.000 0.515 234 H N 0.519 119.500 119.070 -0.148 0.000 3.073 234 H HA -0.012 4.540 4.556 -0.006 0.000 0.340 234 H C 0.439 175.741 175.328 -0.043 0.000 1.054 234 H CA 0.557 56.562 56.048 -0.073 0.000 1.372 234 H CB 0.261 29.981 29.762 -0.070 0.000 1.314 234 H HN 0.140 nan 8.280 nan 0.000 0.603 235 E N -0.638 119.594 120.200 0.053 0.000 3.680 235 E HA -0.205 4.141 4.350 -0.007 0.000 0.309 235 E C -0.926 175.661 176.600 -0.023 0.000 0.793 235 E CA 1.015 57.433 56.400 0.031 0.000 1.083 235 E CB -1.092 28.658 29.700 0.083 0.000 1.548 235 E HN 0.413 nan 8.360 nan 0.000 0.456 236 V N 0.499 120.377 119.914 -0.060 0.000 2.380 236 V HA 0.625 4.741 4.120 -0.007 0.000 0.286 236 V C 0.309 176.405 176.094 0.002 0.000 1.015 236 V CA -0.099 62.175 62.300 -0.043 0.000 0.834 236 V CB 1.475 33.248 31.823 -0.084 0.000 1.009 236 V HN 0.295 nan 8.190 nan 0.000 0.428 237 A N 3.957 126.789 122.820 0.020 0.000 2.304 237 A HA 0.689 5.005 4.320 -0.007 0.000 0.271 237 A C 0.976 178.568 177.584 0.013 0.000 1.091 237 A CA -0.302 51.756 52.037 0.034 0.000 0.812 237 A CB 0.555 19.573 19.000 0.031 0.000 1.056 237 A HN 0.832 nan 8.150 nan 0.000 0.489 238 L N 0.647 121.863 121.223 -0.013 0.000 2.072 238 L HA 0.103 4.439 4.340 -0.007 0.000 0.205 238 L C 0.201 177.041 176.870 -0.050 0.000 1.079 238 L CA 1.232 56.010 54.840 -0.103 0.000 0.752 238 L CB -0.136 41.771 42.059 -0.253 0.000 0.906 238 L HN 0.591 nan 8.230 nan 0.000 0.436 239 I N -0.817 119.752 120.570 -0.001 0.000 2.499 239 I HA 0.210 4.376 4.170 -0.007 0.000 0.288 239 I C -1.154 174.989 176.117 0.044 0.000 1.048 239 I CA -0.464 60.866 61.300 0.051 0.000 1.062 239 I CB 2.033 40.083 38.000 0.083 0.000 1.238 239 I HN -0.162 nan 8.210 nan 0.000 0.426 240 D N 6.122 126.552 120.400 0.049 0.000 2.454 240 D HA 0.326 4.962 4.640 -0.007 0.000 0.247 240 D C 0.119 176.447 176.300 0.047 0.000 1.129 240 D CA -0.214 53.811 54.000 0.042 0.000 0.877 240 D CB 1.982 42.803 40.800 0.034 0.000 1.082 240 D HN 0.232 nan 8.370 nan 0.000 0.537 241 V N 2.098 122.040 119.914 0.045 0.000 3.661 241 V HA 0.365 4.481 4.120 -0.007 0.000 0.271 241 V C 1.319 177.435 176.094 0.038 0.000 1.315 241 V CA 0.391 62.719 62.300 0.047 0.000 1.072 241 V CB -0.379 31.476 31.823 0.053 0.000 0.830 241 V HN 0.812 nan 8.190 nan 0.000 0.443 242 G N 1.501 110.321 108.800 0.033 0.000 2.860 242 G HA2 -0.245 3.711 3.960 -0.007 0.000 0.553 242 G HA3 -0.245 3.711 3.960 -0.007 0.000 0.553 242 G C -0.405 174.512 174.900 0.027 0.000 1.439 242 G CA -0.138 44.980 45.100 0.028 0.000 0.879 242 G HN 0.443 nan 8.290 nan 0.000 0.545 243 K N 0.245 120.660 120.400 0.025 0.000 2.412 243 K HA 0.464 4.780 4.320 -0.007 0.000 0.284 243 K C 0.977 177.591 176.600 0.023 0.000 1.046 243 K CA -0.196 56.105 56.287 0.023 0.000 0.999 243 K CB 0.121 32.634 32.500 0.022 0.000 0.941 243 K HN 0.461 nan 8.250 nan 0.000 0.474 244 L N 2.297 123.532 121.223 0.020 0.000 2.472 244 L HA 0.349 4.685 4.340 -0.007 0.000 0.256 244 L C 0.431 177.312 176.870 0.018 0.000 1.111 244 L CA -0.501 54.353 54.840 0.023 0.000 0.800 244 L CB 1.248 43.319 42.059 0.021 0.000 1.286 244 L HN 0.892 nan 8.230 nan 0.000 0.479 245 S N -0.674 115.043 115.700 0.028 0.000 2.585 245 S HA 0.165 4.631 4.470 -0.007 0.000 0.273 245 S C -0.370 174.232 174.600 0.003 0.000 1.339 245 S CA -0.929 57.286 58.200 0.026 0.000 1.028 245 S CB 0.905 64.137 63.200 0.053 0.000 0.906 245 S HN 0.404 nan 8.310 nan 0.000 0.528 246 D N 0.921 121.318 120.400 -0.004 0.000 2.384 246 D HA 0.524 5.159 4.640 -0.007 0.000 0.244 246 D C -0.132 176.145 176.300 -0.038 0.000 1.251 246 D CA -0.017 53.963 54.000 -0.034 0.000 0.961 246 D CB 0.509 41.294 40.800 -0.025 0.000 1.116 246 D HN 0.837 nan 8.370 nan 0.000 0.484 247 A N 1.057 123.826 122.820 -0.085 0.000 2.285 247 A HA 0.574 4.890 4.320 -0.007 0.000 0.310 247 A C -2.396 175.149 177.584 -0.064 0.000 1.266 247 A CA -1.185 50.801 52.037 -0.085 0.000 0.832 247 A CB 0.502 19.376 19.000 -0.209 0.000 1.163 247 A HN 0.268 nan 8.150 nan 0.000 0.499 248 P HA 0.292 nan 4.420 nan 0.000 0.274 248 P C 0.994 178.286 177.300 -0.013 0.000 1.237 248 P CA -0.591 62.510 63.100 0.001 0.000 0.793 248 P CB 0.585 32.315 31.700 0.049 0.000 0.977 249 L N 0.669 121.895 121.223 0.005 0.000 2.079 249 L HA -0.181 4.155 4.340 -0.007 0.000 0.210 249 L C 1.898 178.792 176.870 0.040 0.000 1.081 249 L CA 1.677 56.525 54.840 0.012 0.000 0.752 249 L CB -1.069 41.003 42.059 0.023 0.000 0.896 249 L HN 0.502 nan 8.230 nan 0.000 0.433 250 N N -0.559 118.174 118.700 0.056 0.000 2.609 250 N HA -0.122 4.614 4.740 -0.007 0.000 0.190 250 N C 1.188 176.668 175.510 -0.050 0.000 1.157 250 N CA 1.279 54.390 53.050 0.102 0.000 0.918 250 N CB -0.542 38.062 38.487 0.195 0.000 0.978 250 N HN 0.233 nan 8.380 nan 0.000 0.448 251 T N 0.537 114.974 114.554 -0.195 0.000 3.044 251 T HA 0.233 4.579 4.350 -0.007 0.000 0.255 251 T C 1.895 176.443 174.700 -0.253 0.000 1.073 251 T CA -0.137 61.701 62.100 -0.438 0.000 1.125 251 T CB 0.067 68.799 68.868 -0.226 0.000 0.908 251 T HN 0.077 nan 8.240 nan 0.000 0.480 252 L N 1.611 122.836 121.223 0.003 0.000 2.043 252 L HA -0.149 4.187 4.340 -0.007 0.000 0.212 252 L C 2.829 179.769 176.870 0.116 0.000 1.075 252 L CA 1.606 56.509 54.840 0.105 0.000 0.752 252 L CB -0.686 41.410 42.059 0.061 0.000 0.891 252 L HN 0.569 nan 8.230 nan 0.000 0.432 253 W N 0.078 121.391 121.300 0.022 0.000 2.350 253 W HA -0.210 4.447 4.660 -0.006 0.000 0.289 253 W C 1.740 178.286 176.519 0.045 0.000 1.215 253 W CA 0.722 58.083 57.345 0.025 0.000 1.236 253 W CB -1.178 28.282 29.460 0.001 0.000 1.130 253 W HN 0.178 nan 8.180 nan 0.000 0.541 254 L N -0.145 120.514 121.223 -0.939 0.000 2.191 254 L HA -0.214 4.122 4.340 -0.007 0.000 0.212 254 L C 2.556 179.304 176.870 -0.204 0.000 1.103 254 L CA 1.456 55.856 54.840 -0.734 0.000 0.769 254 L CB -0.742 40.779 42.059 -0.897 0.000 0.908 254 L HN -0.126 nan 8.230 nan 0.000 0.438 255 Y N -1.770 118.492 120.300 -0.064 0.000 2.337 255 Y HA -0.187 4.360 4.550 -0.006 0.000 0.293 255 Y C 2.168 178.026 175.900 -0.070 0.000 1.123 255 Y CA 0.409 58.467 58.100 -0.070 0.000 1.201 255 Y CB -0.093 38.259 38.460 -0.181 0.000 1.011 255 Y HN 0.047 nan 8.280 nan 0.000 0.545 256 L N 0.554 121.840 121.223 0.106 0.000 2.017 256 L HA -0.206 4.130 4.340 -0.007 0.000 0.208 256 L C 2.006 178.905 176.870 0.049 0.000 1.073 256 L CA 1.648 56.541 54.840 0.088 0.000 0.745 256 L CB -0.979 41.162 42.059 0.138 0.000 0.894 256 L HN 0.237 nan 8.230 nan 0.000 0.432 257 I N -0.985 119.610 120.570 0.042 0.000 2.163 257 I HA -0.316 3.850 4.170 -0.007 0.000 0.243 257 I C 2.435 178.430 176.117 -0.203 0.000 1.085 257 I CA 1.414 62.717 61.300 0.005 0.000 1.347 257 I CB -0.431 37.636 38.000 0.111 0.000 1.044 257 I HN 0.343 nan 8.210 nan 0.000 0.408 258 L N 1.299 122.257 121.223 -0.442 0.000 2.083 258 L HA -0.080 4.256 4.340 -0.007 0.000 0.209 258 L C 2.354 179.164 176.870 -0.100 0.000 1.083 258 L CA 2.165 56.650 54.840 -0.592 0.000 0.752 258 L CB -1.161 40.524 42.059 -0.623 0.000 0.899 258 L HN 0.174 nan 8.230 nan 0.000 0.433 259 G N -0.051 108.739 108.800 -0.017 0.000 2.491 259 G HA2 -0.309 3.647 3.960 -0.007 0.000 0.218 259 G HA3 -0.309 3.647 3.960 -0.007 0.000 0.218 259 G C 1.627 176.569 174.900 0.070 0.000 1.180 259 G CA 1.391 46.521 45.100 0.050 0.000 0.774 259 G HN 0.481 nan 8.290 nan 0.000 0.562 260 I N 0.726 121.315 120.570 0.031 0.000 2.208 260 I HA -0.163 4.003 4.170 -0.007 0.000 0.245 260 I C 2.658 178.791 176.117 0.027 0.000 1.097 260 I CA 0.865 62.190 61.300 0.042 0.000 1.363 260 I CB -0.200 37.830 38.000 0.050 0.000 1.051 260 I HN 0.173 nan 8.210 nan 0.000 0.413 261 I N -0.362 120.183 120.570 -0.041 0.000 2.226 261 I HA -0.305 3.861 4.170 -0.007 0.000 0.245 261 I C 2.301 178.370 176.117 -0.080 0.000 1.100 261 I CA 1.675 62.915 61.300 -0.101 0.000 1.374 261 I CB -0.463 37.391 38.000 -0.244 0.000 1.057 261 I HN 0.068 nan 8.210 nan 0.000 0.413 262 F N 1.120 121.024 119.950 -0.077 0.000 2.234 262 F HA -0.111 4.412 4.527 -0.007 0.000 0.299 262 F C 2.509 178.325 175.800 0.026 0.000 1.087 262 F CA 1.289 59.277 58.000 -0.020 0.000 1.340 262 F CB -0.594 38.366 39.000 -0.068 0.000 1.031 262 F HN 0.035 nan 8.300 nan 0.000 0.500 263 G N 0.902 109.810 108.800 0.180 0.000 2.421 263 G HA2 -0.276 3.680 3.960 -0.007 0.000 0.216 263 G HA3 -0.276 3.680 3.960 -0.007 0.000 0.216 263 G C 1.628 176.572 174.900 0.072 0.000 1.171 263 G CA 1.202 46.359 45.100 0.096 0.000 0.775 263 G HN 0.536 nan 8.290 nan 0.000 0.543 264 I N -3.131 117.483 120.570 0.073 0.000 2.439 264 I HA 0.196 4.362 4.170 -0.007 0.000 0.251 264 I C 2.419 178.557 176.117 0.035 0.000 1.139 264 I CA 0.932 62.260 61.300 0.046 0.000 1.438 264 I CB -0.241 37.788 38.000 0.047 0.000 1.085 264 I HN 0.060 nan 8.210 nan 0.000 0.427 265 F N 2.538 122.447 119.950 -0.069 0.000 2.293 265 F HA 0.233 4.757 4.527 -0.005 0.000 0.297 265 F C 2.326 178.086 175.800 -0.068 0.000 1.089 265 F CA 1.043 58.985 58.000 -0.097 0.000 1.377 265 F CB -0.494 38.437 39.000 -0.116 0.000 1.051 265 F HN 0.087 nan 8.300 nan 0.000 0.511 266 G N 1.234 110.080 108.800 0.076 0.000 2.553 266 G HA2 -0.282 3.674 3.960 -0.007 0.000 0.218 266 G HA3 -0.282 3.674 3.960 -0.007 0.000 0.218 266 G C -0.746 174.079 174.900 -0.125 0.000 1.195 266 G CA 1.164 46.271 45.100 0.011 0.000 0.779 266 G HN 0.306 nan 8.290 nan 0.000 0.577 267 P HA 0.060 nan 4.420 nan 0.000 0.217 267 P C 1.894 178.994 177.300 -0.334 0.000 1.151 267 P CA 0.479 63.470 63.100 -0.182 0.000 0.828 267 P CB -0.027 31.596 31.700 -0.129 0.000 0.788 268 I N -2.008 118.259 120.570 -0.504 0.000 2.361 268 I HA -0.244 3.922 4.170 -0.007 0.000 0.251 268 I C 2.113 177.444 176.117 -1.310 0.000 1.133 268 I CA 1.301 62.074 61.300 -0.879 0.000 1.413 268 I CB -0.382 37.098 38.000 -0.868 0.000 1.073 268 I HN -0.125 nan 8.210 nan 0.000 0.424 269 F N 1.356 120.623 119.950 -1.138 0.000 2.163 269 F HA -0.148 4.375 4.527 -0.007 0.000 0.297 269 F C 2.208 177.797 175.800 -0.352 0.000 1.094 269 F CA 1.569 59.121 58.000 -0.747 0.000 1.290 269 F CB -0.444 38.233 39.000 -0.538 0.000 1.017 269 F HN 0.049 nan 8.300 nan 0.000 0.483 270 N N 0.285 118.837 118.700 -0.247 0.000 2.069 270 N HA -0.217 4.518 4.740 -0.007 0.000 0.191 270 N C 1.754 177.158 175.510 -0.177 0.000 1.031 270 N CA 1.466 54.412 53.050 -0.174 0.000 0.852 270 N CB -0.116 38.309 38.487 -0.103 0.000 1.018 270 N HN 0.304 nan 8.380 nan 0.000 0.423 271 K N -0.097 120.170 120.400 -0.222 0.000 2.103 271 K HA -0.154 4.162 4.320 -0.007 0.000 0.207 271 K C 1.776 178.395 176.600 0.032 0.000 1.048 271 K CA 1.137 57.355 56.287 -0.115 0.000 0.930 271 K CB -0.056 32.360 32.500 -0.141 0.000 0.716 271 K HN 0.329 nan 8.250 nan 0.000 0.444 272 W N -0.086 121.089 121.300 -0.208 0.000 2.443 272 W HA -0.031 4.624 4.660 -0.008 0.000 0.296 272 W C 2.116 178.483 176.519 -0.253 0.000 1.202 272 W CA -0.111 57.099 57.345 -0.226 0.000 1.312 272 W CB -1.196 28.102 29.460 -0.271 0.000 1.120 272 W HN -0.126 nan 8.180 nan 0.000 0.536 273 V N 0.808 120.627 119.914 -0.159 0.000 2.515 273 V HA -0.228 3.888 4.120 -0.007 0.000 0.250 273 V C 2.025 178.132 176.094 0.022 0.000 1.058 273 V CA 1.607 63.829 62.300 -0.130 0.000 1.064 273 V CB -0.368 31.301 31.823 -0.257 0.000 0.675 273 V HN 0.036 nan 8.190 nan 0.000 0.461 274 L N 0.009 121.239 121.223 0.011 0.000 2.023 274 L HA 0.079 4.415 4.340 -0.007 0.000 0.205 274 L C 2.690 179.578 176.870 0.031 0.000 1.073 274 L CA 1.620 56.480 54.840 0.033 0.000 0.745 274 L CB -1.184 40.887 42.059 0.020 0.000 0.900 274 L HN 0.426 nan 8.230 nan 0.000 0.435 275 G N -0.450 108.373 108.800 0.038 0.000 2.422 275 G HA2 -0.324 3.632 3.960 -0.007 0.000 0.218 275 G HA3 -0.324 3.632 3.960 -0.007 0.000 0.218 275 G C 1.556 176.467 174.900 0.018 0.000 1.146 275 G CA 0.803 45.925 45.100 0.035 0.000 0.769 275 G HN 0.162 nan 8.290 nan 0.000 0.547 276 M N 0.483 120.097 119.600 0.023 0.000 2.229 276 M HA 0.037 4.513 4.480 -0.007 0.000 0.264 276 M C 2.523 178.838 176.300 0.025 0.000 1.063 276 M CA 1.247 56.553 55.300 0.011 0.000 1.114 276 M CB -0.383 32.227 32.600 0.016 0.000 1.387 276 M HN 0.313 nan 8.290 nan 0.000 0.420 277 Q N -0.258 119.567 119.800 0.042 0.000 2.050 277 Q HA -0.194 4.142 4.340 -0.007 0.000 0.202 277 Q C 1.604 177.630 176.000 0.042 0.000 0.980 277 Q CA 1.683 57.523 55.803 0.062 0.000 0.840 277 Q CB -0.247 28.528 28.738 0.061 0.000 0.898 277 Q HN 0.522 nan 8.270 nan 0.000 0.424 278 D N 0.682 121.087 120.400 0.008 0.000 2.117 278 D HA -0.138 4.498 4.640 -0.007 0.000 0.198 278 D C 1.832 178.116 176.300 -0.028 0.000 0.982 278 D CA 0.795 54.785 54.000 -0.017 0.000 0.828 278 D CB -0.154 40.630 40.800 -0.027 0.000 0.967 278 D HN 0.144 nan 8.370 nan 0.000 0.464 279 L N 0.204 121.404 121.223 -0.037 0.000 2.201 279 L HA -0.043 4.293 4.340 -0.007 0.000 0.212 279 L C 2.148 178.951 176.870 -0.112 0.000 1.105 279 L CA 0.609 55.410 54.840 -0.065 0.000 0.775 279 L CB 0.089 42.116 42.059 -0.053 0.000 0.913 279 L HN 0.001 nan 8.230 nan 0.000 0.440 280 L N -1.876 119.280 121.223 -0.111 0.000 2.341 280 L HA -0.133 4.203 4.340 -0.007 0.000 0.214 280 L C 2.120 178.662 176.870 -0.547 0.000 1.115 280 L CA 0.333 55.049 54.840 -0.206 0.000 0.820 280 L CB -0.367 41.658 42.059 -0.056 0.000 0.944 280 L HN 0.299 nan 8.230 nan 0.000 0.452 281 H N 0.248 119.020 119.070 -0.497 0.000 2.521 281 H HA -0.058 4.493 4.556 -0.007 0.000 0.286 281 H C 2.284 177.208 175.328 -0.672 0.000 1.034 281 H CA 1.258 56.901 56.048 -0.675 0.000 1.278 281 H CB 0.267 29.883 29.762 -0.243 0.000 1.386 281 H HN 0.113 nan 8.280 nan 0.000 0.567 282 R N -0.968 119.303 120.500 -0.382 0.000 2.100 282 R HA -0.024 4.312 4.340 -0.007 0.000 0.220 282 R C 2.222 178.311 176.300 -0.351 0.000 1.091 282 R CA 0.965 56.897 56.100 -0.281 0.000 0.986 282 R CB 0.100 30.310 30.300 -0.151 0.000 0.888 282 R HN 0.150 nan 8.270 nan 0.000 0.444 283 V N 1.194 120.852 119.914 -0.427 0.000 2.287 283 V HA -0.288 3.828 4.120 -0.007 0.000 0.248 283 V C 2.072 177.979 176.094 -0.311 0.000 1.053 283 V CA 2.407 64.516 62.300 -0.319 0.000 1.027 283 V CB -0.653 31.015 31.823 -0.257 0.000 0.646 283 V HN 0.535 nan 8.190 nan 0.000 0.447 284 H N -0.995 117.863 119.070 -0.354 0.000 2.516 284 H HA 0.413 4.965 4.556 -0.007 0.000 0.284 284 H C 1.644 176.787 175.328 -0.309 0.000 0.999 284 H CA 0.471 56.314 56.048 -0.341 0.000 1.303 284 H CB -0.549 28.914 29.762 -0.498 0.000 1.452 284 H HN 0.368 nan 8.280 nan 0.000 0.530 285 G N 0.125 108.664 108.800 -0.436 0.000 2.249 285 G HA2 -0.098 3.858 3.960 -0.007 0.000 0.273 285 G HA3 -0.098 3.858 3.960 -0.007 0.000 0.273 285 G C 1.290 176.107 174.900 -0.138 0.000 1.036 285 G CA 0.925 45.865 45.100 -0.267 0.000 0.824 285 G HN 1.527 nan 8.290 nan 0.000 0.504 286 G N -1.076 107.642 108.800 -0.137 0.000 2.225 286 G HA2 -0.289 3.667 3.960 -0.007 0.000 0.254 286 G HA3 -0.289 3.667 3.960 -0.007 0.000 0.254 286 G C 0.416 175.414 174.900 0.164 0.000 0.988 286 G CA 0.811 45.951 45.100 0.067 0.000 0.625 286 G HN 1.768 nan 8.290 nan 0.000 0.527 287 N N 0.807 119.581 118.700 0.122 0.000 2.483 287 N HA 0.307 5.043 4.740 -0.007 0.000 0.264 287 N C 1.585 177.210 175.510 0.192 0.000 1.197 287 N CA 0.359 53.484 53.050 0.125 0.000 0.927 287 N CB 0.622 39.157 38.487 0.080 0.000 1.065 287 N HN 0.381 nan 8.380 nan 0.000 0.461 288 I N 2.712 123.375 120.570 0.156 0.000 2.226 288 I HA -0.266 3.899 4.170 -0.007 0.000 0.245 288 I C 1.189 177.408 176.117 0.169 0.000 1.100 288 I CA 1.433 62.828 61.300 0.159 0.000 1.374 288 I CB 0.039 38.108 38.000 0.114 0.000 1.057 288 I HN 0.558 nan 8.210 nan 0.000 0.413 289 T N 0.114 114.742 114.554 0.123 0.000 3.035 289 T HA -0.020 4.326 4.350 -0.007 0.000 0.259 289 T C 1.734 176.489 174.700 0.093 0.000 1.078 289 T CA 0.635 62.790 62.100 0.091 0.000 1.132 289 T CB 0.002 68.900 68.868 0.050 0.000 0.900 289 T HN 0.297 nan 8.240 nan 0.000 0.480 290 K N -0.068 120.395 120.400 0.105 0.000 2.365 290 K HA -0.017 4.299 4.320 -0.007 0.000 0.199 290 K C 1.765 178.453 176.600 0.147 0.000 1.045 290 K CA 0.466 56.809 56.287 0.093 0.000 0.962 290 K CB 0.074 32.612 32.500 0.064 0.000 0.759 290 K HN 0.324 nan 8.250 nan 0.000 0.469 291 W N 0.713 122.000 121.300 -0.021 0.000 2.501 291 W HA -0.059 4.597 4.660 -0.007 0.000 0.309 291 W C 1.727 178.139 176.519 -0.179 0.000 1.165 291 W CA 0.444 57.707 57.345 -0.136 0.000 1.381 291 W CB -0.669 28.605 29.460 -0.309 0.000 1.142 291 W HN -0.285 nan 8.180 nan 0.000 0.509 292 V N 1.567 121.581 119.914 0.167 0.000 2.324 292 V HA -0.338 3.778 4.120 -0.007 0.000 0.250 292 V C 2.472 178.539 176.094 -0.045 0.000 1.060 292 V CA 1.942 64.258 62.300 0.026 0.000 1.042 292 V CB -1.131 30.749 31.823 0.095 0.000 0.650 292 V HN 0.118 nan 8.190 nan 0.000 0.450 293 L N -1.290 119.940 121.223 0.012 0.000 2.131 293 L HA -0.202 4.134 4.340 -0.007 0.000 0.210 293 L C 2.423 179.288 176.870 -0.008 0.000 1.092 293 L CA 1.762 56.608 54.840 0.011 0.000 0.759 293 L CB -0.360 41.716 42.059 0.029 0.000 0.903 293 L HN 0.371 nan 8.230 nan 0.000 0.435 294 M N -0.760 118.829 119.600 -0.018 0.000 2.349 294 M HA -0.063 4.413 4.480 -0.007 0.000 0.266 294 M C 1.979 178.186 176.300 -0.155 0.000 1.076 294 M CA 1.496 56.780 55.300 -0.028 0.000 1.126 294 M CB -0.193 32.420 32.600 0.022 0.000 1.392 294 M HN 0.259 nan 8.290 nan 0.000 0.440 295 G N -0.516 108.020 108.800 -0.441 0.000 2.394 295 G HA2 -0.126 3.830 3.960 -0.007 0.000 0.214 295 G HA3 -0.126 3.830 3.960 -0.007 0.000 0.214 295 G C 1.380 176.066 174.900 -0.356 0.000 1.176 295 G CA 0.724 45.156 45.100 -1.113 0.000 0.786 295 G HN 0.573 nan 8.290 nan 0.000 0.533 296 G N 1.032 109.735 108.800 -0.161 0.000 2.432 296 G HA2 0.064 4.020 3.960 -0.007 0.000 0.219 296 G HA3 0.064 4.020 3.960 -0.007 0.000 0.219 296 G C 1.990 176.862 174.900 -0.046 0.000 1.135 296 G CA 1.496 46.577 45.100 -0.031 0.000 0.767 296 G HN 0.627 nan 8.290 nan 0.000 0.550 297 A N 0.769 123.600 122.820 0.018 0.000 1.898 297 A HA 0.079 4.395 4.320 -0.007 0.000 0.216 297 A C 2.379 179.978 177.584 0.025 0.000 1.181 297 A CA 1.250 53.366 52.037 0.131 0.000 0.620 297 A CB -0.287 18.788 19.000 0.124 0.000 0.819 297 A HN 0.376 nan 8.150 nan 0.000 0.442 298 I N -0.619 119.947 120.570 -0.006 0.000 2.406 298 I HA -0.100 4.065 4.170 -0.007 0.000 0.249 298 I C 2.701 178.790 176.117 -0.046 0.000 1.122 298 I CA 0.862 62.172 61.300 0.017 0.000 1.431 298 I CB -0.719 37.338 38.000 0.096 0.000 1.087 298 I HN 0.385 nan 8.210 nan 0.000 0.424 299 G N 1.017 109.784 108.800 -0.056 0.000 2.459 299 G HA2 -0.218 3.738 3.960 -0.007 0.000 0.217 299 G HA3 -0.218 3.738 3.960 -0.007 0.000 0.217 299 G C 1.746 176.470 174.900 -0.294 0.000 1.183 299 G CA 0.903 45.956 45.100 -0.079 0.000 0.776 299 G HN 0.470 nan 8.290 nan 0.000 0.552 300 G N 0.744 109.141 108.800 -0.673 0.000 2.469 300 G HA2 -0.198 3.758 3.960 -0.007 0.000 0.220 300 G HA3 -0.198 3.758 3.960 -0.007 0.000 0.220 300 G C 1.776 176.065 174.900 -1.018 0.000 1.136 300 G CA 1.130 45.370 45.100 -1.434 0.000 0.759 300 G HN 0.437 nan 8.290 nan 0.000 0.562 301 L N 0.405 121.269 121.223 -0.598 0.000 2.083 301 L HA -0.034 4.302 4.340 -0.007 0.000 0.209 301 L C 2.734 179.585 176.870 -0.032 0.000 1.083 301 L CA 1.572 56.366 54.840 -0.076 0.000 0.752 301 L CB -0.696 41.390 42.059 0.046 0.000 0.899 301 L HN 0.259 nan 8.230 nan 0.000 0.433 302 C N -0.392 118.865 119.300 -0.071 0.000 2.466 302 C HA 0.026 4.482 4.460 -0.007 0.000 0.278 302 C C 2.759 177.746 174.990 -0.006 0.000 1.288 302 C CA 0.602 59.611 59.018 -0.015 0.000 1.722 302 C CB -1.733 26.005 27.740 -0.004 0.000 2.017 302 C HN 0.748 nan 8.230 nan 0.000 0.488 303 G N 0.074 108.840 108.800 -0.057 0.000 2.422 303 G HA2 -0.176 3.780 3.960 -0.007 0.000 0.218 303 G HA3 -0.176 3.780 3.960 -0.007 0.000 0.218 303 G C 1.556 176.477 174.900 0.036 0.000 1.140 303 G CA 0.815 45.901 45.100 -0.024 0.000 0.775 303 G HN 0.504 nan 8.290 nan 0.000 0.545 304 L N 0.006 121.258 121.223 0.049 0.000 2.005 304 L HA 0.164 4.500 4.340 -0.007 0.000 0.207 304 L C 2.671 179.644 176.870 0.172 0.000 1.072 304 L CA 1.266 56.186 54.840 0.134 0.000 0.744 304 L CB -0.247 41.940 42.059 0.213 0.000 0.895 304 L HN 0.162 nan 8.230 nan 0.000 0.433 305 L N -0.378 120.926 121.223 0.135 0.000 2.201 305 L HA -0.080 4.256 4.340 -0.007 0.000 0.212 305 L C 2.175 179.127 176.870 0.137 0.000 1.105 305 L CA 0.946 55.869 54.840 0.139 0.000 0.775 305 L CB -0.945 41.175 42.059 0.101 0.000 0.913 305 L HN 0.462 nan 8.230 nan 0.000 0.440 306 G N -1.724 107.149 108.800 0.123 0.000 2.916 306 G HA2 -0.205 3.751 3.960 -0.007 0.000 0.205 306 G HA3 -0.205 3.751 3.960 -0.007 0.000 0.205 306 G C 0.934 175.946 174.900 0.185 0.000 1.163 306 G CA 0.187 45.358 45.100 0.119 0.000 0.821 306 G HN 0.370 nan 8.290 nan 0.000 0.515 307 F N -0.532 119.443 119.950 0.041 0.000 2.455 307 F HA 0.104 4.629 4.527 -0.003 0.000 0.278 307 F C 2.175 178.012 175.800 0.062 0.000 0.887 307 F CA 0.661 58.683 58.000 0.035 0.000 1.104 307 F CB 0.107 39.107 39.000 0.000 0.000 0.949 307 F HN -0.002 nan 8.300 nan 0.000 0.750 308 V N -0.262 119.797 119.914 0.241 0.000 2.667 308 V HA 0.427 4.543 4.120 -0.007 0.000 0.252 308 V C 0.630 176.788 176.094 0.107 0.000 1.065 308 V CA 1.149 63.555 62.300 0.177 0.000 1.083 308 V CB -0.825 31.147 31.823 0.248 0.000 0.692 308 V HN 0.554 nan 8.190 nan 0.000 0.468 309 A N -0.257 122.639 122.820 0.128 0.000 2.601 309 A HA 0.617 4.933 4.320 -0.007 0.000 0.292 309 A C -2.073 175.592 177.584 0.135 0.000 1.284 309 A CA -0.251 51.879 52.037 0.156 0.000 0.893 309 A CB 0.250 19.427 19.000 0.295 0.000 1.440 309 A HN 0.260 nan 8.150 nan 0.000 0.510 310 P HA -0.074 nan 4.420 nan 0.000 0.228 310 P C 1.569 178.906 177.300 0.062 0.000 1.151 310 P CA 1.527 64.672 63.100 0.075 0.000 0.770 310 P CB 0.295 32.033 31.700 0.064 0.000 0.786 311 A N -0.375 122.487 122.820 0.070 0.000 2.121 311 A HA -0.125 4.191 4.320 -0.007 0.000 0.218 311 A C 2.104 179.643 177.584 -0.075 0.000 1.154 311 A CA 1.976 54.020 52.037 0.012 0.000 0.679 311 A CB -1.559 17.442 19.000 0.002 0.000 0.795 311 A HN 0.339 nan 8.150 nan 0.000 0.458 312 T N -3.407 111.105 114.554 -0.071 0.000 3.014 312 T HA 0.131 4.477 4.350 -0.007 0.000 0.263 312 T C 1.257 175.920 174.700 -0.062 0.000 1.078 312 T CA 0.975 62.995 62.100 -0.134 0.000 1.135 312 T CB -0.244 68.545 68.868 -0.131 0.000 0.895 312 T HN 0.355 nan 8.240 nan 0.000 0.480 313 S N -0.295 115.398 115.700 -0.011 0.000 2.677 313 S HA 0.644 5.110 4.470 -0.007 0.000 0.290 313 S C 0.783 175.387 174.600 0.007 0.000 1.124 313 S CA 0.258 58.463 58.200 0.008 0.000 1.017 313 S CB 0.617 63.838 63.200 0.035 0.000 1.215 313 S HN 1.494 nan 8.310 nan 0.000 0.524 314 G N -0.256 108.555 108.800 0.019 0.000 2.855 314 G HA2 -0.042 3.914 3.960 -0.007 0.000 0.352 314 G HA3 -0.042 3.914 3.960 -0.007 0.000 0.352 314 G C 0.811 175.714 174.900 0.005 0.000 1.415 314 G CA 0.024 45.139 45.100 0.024 0.000 0.871 314 G HN 1.569 nan 8.290 nan 0.000 0.543 315 G N -1.101 107.709 108.800 0.018 0.000 2.440 315 G HA2 0.341 4.296 3.960 -0.007 0.000 0.218 315 G HA3 0.341 4.296 3.960 -0.007 0.000 0.218 315 G C 2.058 176.854 174.900 -0.173 0.000 1.154 315 G CA 2.369 47.447 45.100 -0.036 0.000 0.767 315 G HN 2.771 nan 8.290 nan 0.000 0.552 316 G N -1.039 107.699 108.800 -0.104 0.000 2.253 316 G HA2 -0.241 3.715 3.960 -0.007 0.000 0.209 316 G HA3 -0.241 3.715 3.960 -0.007 0.000 0.209 316 G C 1.107 175.967 174.900 -0.067 0.000 0.997 316 G CA 0.383 45.407 45.100 -0.126 0.000 0.640 316 G HN 0.390 nan 8.290 nan 0.000 0.496 317 F N 1.844 121.841 119.950 0.077 0.000 2.449 317 F HA -0.028 4.494 4.527 -0.007 0.000 0.299 317 F C 2.251 178.101 175.800 0.083 0.000 1.092 317 F CA 1.548 59.600 58.000 0.087 0.000 1.446 317 F CB -0.061 38.998 39.000 0.098 0.000 1.084 317 F HN 0.272 nan 8.300 nan 0.000 0.567 318 N N 0.073 118.913 118.700 0.234 0.000 2.415 318 N HA -0.025 4.711 4.740 -0.007 0.000 0.176 318 N C 1.484 177.101 175.510 0.179 0.000 1.042 318 N CA 0.785 53.946 53.050 0.183 0.000 0.902 318 N CB -0.135 38.441 38.487 0.147 0.000 0.986 318 N HN 0.265 nan 8.380 nan 0.000 0.447 319 L N -2.004 119.326 121.223 0.178 0.000 2.513 319 L HA 0.425 4.761 4.340 -0.007 0.000 0.222 319 L C 1.506 178.523 176.870 0.246 0.000 1.096 319 L CA 0.619 55.606 54.840 0.244 0.000 0.857 319 L CB -0.551 41.610 42.059 0.171 0.000 1.026 319 L HN -0.056 nan 8.230 nan 0.000 0.469 320 I N 1.033 121.712 120.570 0.182 0.000 2.118 320 I HA -0.184 3.982 4.170 -0.007 0.000 0.241 320 I C -0.154 176.063 176.117 0.166 0.000 1.070 320 I CA 1.723 63.123 61.300 0.166 0.000 1.327 320 I CB -1.530 36.569 38.000 0.165 0.000 1.034 320 I HN 0.263 nan 8.210 nan 0.000 0.405 321 P HA -0.150 nan 4.420 nan 0.000 0.215 321 P C 1.819 179.184 177.300 0.109 0.000 1.153 321 P CA 1.638 64.808 63.100 0.116 0.000 0.853 321 P CB -0.076 31.683 31.700 0.098 0.000 0.788 322 I N -0.891 119.759 120.570 0.133 0.000 2.252 322 I HA -0.191 3.975 4.170 -0.007 0.000 0.245 322 I C 2.325 178.520 176.117 0.130 0.000 1.102 322 I CA 1.422 62.759 61.300 0.061 0.000 1.385 322 I CB -0.899 37.109 38.000 0.014 0.000 1.064 322 I HN -0.097 nan 8.210 nan 0.000 0.414 323 A N 0.815 123.866 122.820 0.384 0.000 1.929 323 A HA -0.139 4.177 4.320 -0.007 0.000 0.216 323 A C 2.381 180.110 177.584 0.241 0.000 1.176 323 A CA 2.116 54.424 52.037 0.450 0.000 0.628 323 A CB -0.982 18.230 19.000 0.353 0.000 0.816 323 A HN 0.400 nan 8.150 nan 0.000 0.444 324 T N 0.463 115.122 114.554 0.175 0.000 2.821 324 T HA 0.028 4.374 4.350 -0.007 0.000 0.267 324 T C 2.046 176.811 174.700 0.108 0.000 1.046 324 T CA 1.263 63.444 62.100 0.135 0.000 1.139 324 T CB -0.377 68.559 68.868 0.112 0.000 0.871 324 T HN 0.550 nan 8.240 nan 0.000 0.454 325 A N 0.839 123.708 122.820 0.082 0.000 2.216 325 A HA 0.425 4.740 4.320 -0.007 0.000 0.214 325 A C 1.899 179.512 177.584 0.047 0.000 1.160 325 A CA 0.878 52.946 52.037 0.051 0.000 0.725 325 A CB -1.093 17.919 19.000 0.020 0.000 0.784 325 A HN 0.896 nan 8.150 nan 0.000 0.472 326 G N -0.546 108.298 108.800 0.072 0.000 2.256 326 G HA2 -0.282 3.674 3.960 -0.007 0.000 0.272 326 G HA3 -0.282 3.674 3.960 -0.007 0.000 0.272 326 G C 0.316 175.231 174.900 0.025 0.000 1.076 326 G CA 0.484 45.628 45.100 0.074 0.000 0.882 326 G HN 0.665 nan 8.290 nan 0.000 0.497 327 N N -1.314 117.359 118.700 -0.046 0.000 2.405 327 N HA 0.201 4.937 4.740 -0.007 0.000 0.175 327 N C 0.474 175.845 175.510 -0.230 0.000 1.051 327 N CA -0.103 52.840 53.050 -0.178 0.000 0.899 327 N CB 0.158 38.468 38.487 -0.295 0.000 1.000 327 N HN 0.408 nan 8.380 nan 0.000 0.451 328 F N 1.322 121.298 119.950 0.044 0.000 2.380 328 F HA 0.184 4.706 4.527 -0.009 0.000 0.325 328 F C 1.245 177.067 175.800 0.036 0.000 1.136 328 F CA -1.092 56.937 58.000 0.048 0.000 1.171 328 F CB 0.706 39.745 39.000 0.065 0.000 1.230 328 F HN -0.146 nan 8.300 nan 0.000 0.554 329 S N 1.668 117.514 115.700 0.244 0.000 2.652 329 S HA 0.274 4.740 4.470 -0.007 0.000 0.270 329 S C 0.926 175.599 174.600 0.121 0.000 1.243 329 S CA -0.822 57.458 58.200 0.133 0.000 0.999 329 S CB 1.112 64.368 63.200 0.093 0.000 0.973 329 S HN 0.743 nan 8.310 nan 0.000 0.544 330 M N 2.344 121.983 119.600 0.065 0.000 2.082 330 M HA 0.035 4.511 4.480 -0.007 0.000 0.258 330 M C 1.934 178.262 176.300 0.046 0.000 1.069 330 M CA 2.332 57.654 55.300 0.037 0.000 1.102 330 M CB -1.518 31.085 32.600 0.004 0.000 1.336 330 M HN 0.951 nan 8.290 nan 0.000 0.404 331 G N -0.224 108.607 108.800 0.052 0.000 2.480 331 G HA2 -0.307 3.649 3.960 -0.007 0.000 0.216 331 G HA3 -0.307 3.649 3.960 -0.007 0.000 0.216 331 G C 1.487 176.451 174.900 0.107 0.000 1.200 331 G CA 1.363 46.500 45.100 0.061 0.000 0.782 331 G HN 0.514 nan 8.290 nan 0.000 0.554 332 M N 0.429 120.107 119.600 0.129 0.000 2.082 332 M HA -0.006 4.470 4.480 -0.007 0.000 0.258 332 M C 2.438 178.822 176.300 0.141 0.000 1.069 332 M CA 1.338 56.751 55.300 0.189 0.000 1.102 332 M CB -0.507 32.248 32.600 0.259 0.000 1.336 332 M HN 0.221 nan 8.290 nan 0.000 0.404 333 L N -1.533 119.730 121.223 0.067 0.000 1.989 333 L HA -0.262 4.074 4.340 -0.007 0.000 0.211 333 L C 2.340 179.233 176.870 0.037 0.000 1.071 333 L CA 1.366 56.200 54.840 -0.010 0.000 0.749 333 L CB -1.079 40.990 42.059 0.017 0.000 0.890 333 L HN 0.175 nan 8.230 nan 0.000 0.431 334 V N -0.185 119.766 119.914 0.062 0.000 2.282 334 V HA -0.356 3.760 4.120 -0.007 0.000 0.249 334 V C 2.232 178.419 176.094 0.154 0.000 1.057 334 V CA 2.306 64.652 62.300 0.076 0.000 1.032 334 V CB -0.568 31.285 31.823 0.050 0.000 0.645 334 V HN 0.420 nan 8.190 nan 0.000 0.447 335 F N 0.428 120.395 119.950 0.029 0.000 2.069 335 F HA -0.225 4.301 4.527 -0.002 0.000 0.298 335 F C 2.162 177.976 175.800 0.022 0.000 1.113 335 F CA 2.061 60.079 58.000 0.029 0.000 1.214 335 F CB -0.230 38.779 39.000 0.014 0.000 0.978 335 F HN 0.071 nan 8.300 nan 0.000 0.474 336 I N -0.512 119.896 120.570 -0.269 0.000 2.264 336 I HA -0.301 3.865 4.170 -0.007 0.000 0.248 336 I C 2.251 178.220 176.117 -0.248 0.000 1.111 336 I CA 1.476 62.536 61.300 -0.401 0.000 1.382 336 I CB -0.563 37.248 38.000 -0.314 0.000 1.060 336 I HN 0.265 nan 8.210 nan 0.000 0.418 337 F N 0.963 120.782 119.950 -0.219 0.000 2.039 337 F HA -0.184 4.339 4.527 -0.008 0.000 0.294 337 F C 2.405 178.141 175.800 -0.106 0.000 1.130 337 F CA 1.703 59.611 58.000 -0.153 0.000 1.189 337 F CB -0.327 38.593 39.000 -0.134 0.000 0.983 337 F HN -0.275 nan 8.300 nan 0.000 0.471 338 V N 0.552 120.565 119.914 0.164 0.000 2.407 338 V HA -0.311 3.805 4.120 -0.007 0.000 0.248 338 V C 2.634 178.699 176.094 -0.048 0.000 1.055 338 V CA 1.774 64.142 62.300 0.114 0.000 1.049 338 V CB -1.601 30.313 31.823 0.152 0.000 0.662 338 V HN 0.497 nan 8.190 nan 0.000 0.455 339 A N -0.204 122.502 122.820 -0.191 0.000 1.930 339 A HA -0.174 4.142 4.320 -0.007 0.000 0.217 339 A C 2.407 179.878 177.584 -0.189 0.000 1.175 339 A CA 1.483 53.375 52.037 -0.242 0.000 0.627 339 A CB -0.423 18.251 19.000 -0.543 0.000 0.815 339 A HN 0.487 nan 8.150 nan 0.000 0.443 340 R N -0.652 119.706 120.500 -0.236 0.000 2.090 340 R HA -0.044 4.292 4.340 -0.007 0.000 0.228 340 R C 2.049 178.275 176.300 -0.123 0.000 1.110 340 R CA 1.257 57.243 56.100 -0.191 0.000 0.973 340 R CB -0.583 29.569 30.300 -0.246 0.000 0.869 340 R HN 0.392 nan 8.270 nan 0.000 0.440 341 V N 1.771 121.594 119.914 -0.151 0.000 2.252 341 V HA -0.294 3.822 4.120 -0.007 0.000 0.249 341 V C 2.325 178.484 176.094 0.109 0.000 1.056 341 V CA 1.883 64.219 62.300 0.060 0.000 1.022 341 V CB -0.412 31.500 31.823 0.148 0.000 0.641 341 V HN 0.260 nan 8.190 nan 0.000 0.445 342 I N 0.574 121.161 120.570 0.029 0.000 2.118 342 I HA -0.301 3.865 4.170 -0.007 0.000 0.241 342 I C 2.637 178.775 176.117 0.036 0.000 1.070 342 I CA 2.358 63.668 61.300 0.017 0.000 1.327 342 I CB -0.529 37.467 38.000 -0.007 0.000 1.034 342 I HN 0.520 nan 8.210 nan 0.000 0.405 343 T N -2.914 111.653 114.554 0.022 0.000 2.942 343 T HA -0.082 4.264 4.350 -0.007 0.000 0.265 343 T C 1.762 176.508 174.700 0.078 0.000 1.062 343 T CA 1.398 63.522 62.100 0.040 0.000 1.139 343 T CB -0.715 68.159 68.868 0.010 0.000 0.883 343 T HN 0.247 nan 8.240 nan 0.000 0.468 344 T N 2.773 117.379 114.554 0.087 0.000 2.674 344 T HA 0.036 4.382 4.350 -0.007 0.000 0.265 344 T C 1.909 176.736 174.700 0.212 0.000 1.039 344 T CA 1.188 63.378 62.100 0.149 0.000 1.150 344 T CB -0.621 68.357 68.868 0.183 0.000 0.864 344 T HN 0.244 nan 8.240 nan 0.000 0.427 345 L N 0.140 121.472 121.223 0.181 0.000 1.956 345 L HA -0.151 4.185 4.340 -0.007 0.000 0.216 345 L C 2.533 179.498 176.870 0.158 0.000 1.073 345 L CA 1.249 56.171 54.840 0.136 0.000 0.762 345 L CB -0.734 41.359 42.059 0.056 0.000 0.889 345 L HN 0.172 nan 8.230 nan 0.000 0.433 346 L N -0.874 120.423 121.223 0.122 0.000 2.051 346 L HA -0.320 4.016 4.340 -0.007 0.000 0.214 346 L C 2.560 179.540 176.870 0.182 0.000 1.076 346 L CA 1.852 56.768 54.840 0.127 0.000 0.758 346 L CB -0.662 41.455 42.059 0.097 0.000 0.890 346 L HN 0.430 nan 8.230 nan 0.000 0.433 347 C N -2.343 117.075 119.300 0.197 0.000 2.486 347 C HA -0.073 4.383 4.460 -0.007 0.000 0.279 347 C C 2.552 177.693 174.990 0.253 0.000 1.302 347 C CA -0.110 59.042 59.018 0.223 0.000 1.720 347 C CB -0.870 26.980 27.740 0.184 0.000 2.030 347 C HN 0.541 nan 8.230 nan 0.000 0.490 348 F N 2.390 122.415 119.950 0.126 0.000 2.074 348 F HA -0.087 4.436 4.527 -0.007 0.000 0.293 348 F C 2.521 178.407 175.800 0.144 0.000 1.116 348 F CA 2.017 60.092 58.000 0.124 0.000 1.212 348 F CB -0.621 38.454 39.000 0.124 0.000 0.998 348 F HN 0.047 nan 8.300 nan 0.000 0.471 349 S N -0.173 115.621 115.700 0.157 0.000 2.419 349 S HA -0.196 4.270 4.470 -0.007 0.000 0.235 349 S C 2.005 176.674 174.600 0.114 0.000 1.019 349 S CA 1.217 59.456 58.200 0.066 0.000 0.982 349 S CB -0.885 62.390 63.200 0.125 0.000 0.789 349 S HN 0.575 nan 8.310 nan 0.000 0.490 350 S N 0.985 116.808 115.700 0.206 0.000 2.603 350 S HA 0.219 4.685 4.470 -0.007 0.000 0.229 350 S C 1.456 176.362 174.600 0.510 0.000 0.972 350 S CA 0.635 59.077 58.200 0.404 0.000 0.935 350 S CB -0.742 62.737 63.200 0.465 0.000 0.769 350 S HN 0.797 nan 8.310 nan 0.000 0.536 351 G N 0.639 109.545 108.800 0.177 0.000 2.179 351 G HA2 -0.136 3.819 3.960 -0.007 0.000 0.257 351 G HA3 -0.136 3.819 3.960 -0.007 0.000 0.257 351 G C 0.279 175.090 174.900 -0.149 0.000 1.010 351 G CA 0.107 45.220 45.100 0.023 0.000 0.736 351 G HN 1.348 nan 8.290 nan 0.000 0.513 352 A N 0.564 123.276 122.820 -0.179 0.000 2.425 352 A HA 0.631 4.947 4.320 -0.007 0.000 0.242 352 A C -1.191 176.226 177.584 -0.277 0.000 1.077 352 A CA -0.624 51.116 52.037 -0.495 0.000 0.781 352 A CB 0.355 19.113 19.000 -0.403 0.000 1.020 352 A HN 0.281 nan 8.150 nan 0.000 0.494 353 P HA 0.389 nan 4.420 nan 0.000 0.270 353 P C 0.115 177.399 177.300 -0.026 0.000 1.242 353 P CA 0.907 63.928 63.100 -0.132 0.000 0.768 353 P CB 0.476 32.103 31.700 -0.121 0.000 0.820 354 G N 1.930 110.753 108.800 0.037 0.000 2.301 354 G HA2 0.392 4.348 3.960 -0.007 0.000 0.290 354 G HA3 0.392 4.348 3.960 -0.007 0.000 0.290 354 G C -0.535 174.515 174.900 0.250 0.000 1.669 354 G CA -0.449 44.724 45.100 0.121 0.000 0.945 354 G HN 0.559 nan 8.290 nan 0.000 0.710 355 G N -0.618 108.317 108.800 0.225 0.000 2.507 355 G HA2 0.543 4.499 3.960 -0.007 0.000 0.271 355 G HA3 0.543 4.499 3.960 -0.007 0.000 0.271 355 G C 0.874 175.906 174.900 0.221 0.000 1.189 355 G CA -0.227 45.053 45.100 0.300 0.000 0.859 355 G HN 1.190 nan 8.290 nan 0.000 0.542 356 I N 0.937 121.513 120.570 0.009 0.000 3.883 356 I HA 0.217 4.383 4.170 -0.007 0.000 0.326 356 I C 1.599 177.649 176.117 -0.112 0.000 1.283 356 I CA -0.400 60.706 61.300 -0.323 0.000 1.161 356 I CB -0.076 37.214 38.000 -1.184 0.000 1.012 356 I HN 0.598 nan 8.210 nan 0.000 0.421 357 F N 1.456 121.389 119.950 -0.028 0.000 2.026 357 F HA -0.275 4.248 4.527 -0.007 0.000 0.296 357 F C 2.532 178.339 175.800 0.013 0.000 1.133 357 F CA 2.323 60.340 58.000 0.028 0.000 1.188 357 F CB -0.288 38.804 39.000 0.154 0.000 0.968 357 F HN 0.147 nan 8.300 nan 0.000 0.476 358 A N 0.232 123.260 122.820 0.347 0.000 1.865 358 A HA -0.148 4.168 4.320 -0.007 0.000 0.217 358 A C -0.330 177.169 177.584 -0.143 0.000 1.191 358 A CA 1.956 54.065 52.037 0.120 0.000 0.623 358 A CB -2.205 16.780 19.000 -0.025 0.000 0.826 358 A HN 0.316 nan 8.150 nan 0.000 0.444 359 P HA -0.131 nan 4.420 nan 0.000 0.221 359 P C 1.475 178.658 177.300 -0.196 0.000 1.145 359 P CA 1.138 64.141 63.100 -0.162 0.000 0.795 359 P CB -0.155 31.489 31.700 -0.093 0.000 0.775 360 M N -1.988 117.482 119.600 -0.217 0.000 2.254 360 M HA -0.072 4.404 4.480 -0.007 0.000 0.265 360 M C 1.835 178.001 176.300 -0.224 0.000 1.066 360 M CA 1.443 56.571 55.300 -0.287 0.000 1.123 360 M CB -0.609 31.769 32.600 -0.369 0.000 1.388 360 M HN -0.025 nan 8.290 nan 0.000 0.425 361 L N -0.253 120.860 121.223 -0.182 0.000 2.005 361 L HA -0.134 4.202 4.340 -0.007 0.000 0.207 361 L C 2.848 179.664 176.870 -0.090 0.000 1.072 361 L CA 1.335 56.097 54.840 -0.130 0.000 0.744 361 L CB -0.961 41.049 42.059 -0.080 0.000 0.895 361 L HN 0.251 nan 8.230 nan 0.000 0.433 362 A N 0.221 122.968 122.820 -0.123 0.000 1.873 362 A HA -0.237 4.079 4.320 -0.007 0.000 0.218 362 A C 2.281 179.820 177.584 -0.074 0.000 1.193 362 A CA 1.927 53.906 52.037 -0.097 0.000 0.629 362 A CB -0.991 17.919 19.000 -0.150 0.000 0.826 362 A HN 0.370 nan 8.150 nan 0.000 0.447 363 L N -0.864 120.279 121.223 -0.135 0.000 2.083 363 L HA -0.137 4.199 4.340 -0.007 0.000 0.209 363 L C 2.783 179.713 176.870 0.101 0.000 1.083 363 L CA 1.105 55.851 54.840 -0.157 0.000 0.752 363 L CB -0.614 41.227 42.059 -0.363 0.000 0.899 363 L HN 0.517 nan 8.230 nan 0.000 0.433 364 G N -1.189 107.680 108.800 0.115 0.000 2.421 364 G HA2 -0.177 3.779 3.960 -0.007 0.000 0.217 364 G HA3 -0.177 3.779 3.960 -0.007 0.000 0.217 364 G C 1.555 176.616 174.900 0.268 0.000 1.143 364 G CA 1.042 46.332 45.100 0.316 0.000 0.784 364 G HN 0.306 nan 8.290 nan 0.000 0.541 365 T N 1.171 115.803 114.554 0.130 0.000 2.708 365 T HA -0.121 4.225 4.350 -0.007 0.000 0.266 365 T C 2.503 177.291 174.700 0.146 0.000 1.037 365 T CA 1.269 63.444 62.100 0.125 0.000 1.146 365 T CB -0.370 68.552 68.868 0.090 0.000 0.865 365 T HN 0.048 nan 8.240 nan 0.000 0.435 366 V N 1.357 121.352 119.914 0.134 0.000 2.407 366 V HA -0.087 4.029 4.120 -0.007 0.000 0.248 366 V C 2.377 178.536 176.094 0.108 0.000 1.055 366 V CA 1.142 63.516 62.300 0.123 0.000 1.049 366 V CB -0.653 31.243 31.823 0.120 0.000 0.662 366 V HN 0.279 nan 8.190 nan 0.000 0.455 367 L N 1.126 122.425 121.223 0.127 0.000 2.072 367 L HA 0.099 4.435 4.340 -0.007 0.000 0.205 367 L C 2.391 179.269 176.870 0.012 0.000 1.079 367 L CA 2.271 57.035 54.840 -0.128 0.000 0.752 367 L CB -1.370 40.480 42.059 -0.348 0.000 0.906 367 L HN 0.258 nan 8.230 nan 0.000 0.436 368 G N -1.576 107.342 108.800 0.198 0.000 2.459 368 G HA2 -0.300 3.656 3.960 -0.007 0.000 0.217 368 G HA3 -0.300 3.656 3.960 -0.007 0.000 0.217 368 G C 1.435 176.486 174.900 0.251 0.000 1.183 368 G CA 1.388 46.657 45.100 0.281 0.000 0.776 368 G HN 0.417 nan 8.290 nan 0.000 0.552 369 T N 1.849 116.513 114.554 0.184 0.000 2.635 369 T HA -0.111 4.235 4.350 -0.007 0.000 0.267 369 T C 2.804 177.552 174.700 0.079 0.000 1.040 369 T CA 1.974 64.162 62.100 0.147 0.000 1.156 369 T CB -0.575 68.380 68.868 0.146 0.000 0.863 369 T HN 0.419 nan 8.240 nan 0.000 0.430 370 A N 0.927 123.770 122.820 0.040 0.000 1.908 370 A HA -0.097 4.219 4.320 -0.007 0.000 0.218 370 A C 2.055 179.612 177.584 -0.045 0.000 1.181 370 A CA 1.720 53.742 52.037 -0.026 0.000 0.627 370 A CB -1.034 17.909 19.000 -0.096 0.000 0.818 370 A HN 0.493 nan 8.150 nan 0.000 0.445 371 F N 0.987 120.838 119.950 -0.165 0.000 2.113 371 F HA 0.023 4.547 4.527 -0.005 0.000 0.297 371 F C 2.369 177.947 175.800 -0.370 0.000 1.103 371 F CA 1.449 59.308 58.000 -0.235 0.000 1.248 371 F CB -0.799 38.081 39.000 -0.201 0.000 0.999 371 F HN 0.217 nan 8.300 nan 0.000 0.475 372 G N 0.620 109.269 108.800 -0.250 0.000 2.513 372 G HA2 -0.350 3.605 3.960 -0.007 0.000 0.219 372 G HA3 -0.350 3.605 3.960 -0.007 0.000 0.219 372 G C 1.717 176.385 174.900 -0.385 0.000 1.160 372 G CA 1.356 46.187 45.100 -0.447 0.000 0.767 372 G HN 0.415 nan 8.290 nan 0.000 0.571 373 M N -0.279 119.198 119.600 -0.205 0.000 2.117 373 M HA -0.070 4.406 4.480 -0.007 0.000 0.262 373 M C 2.731 178.904 176.300 -0.213 0.000 1.065 373 M CA 0.982 56.192 55.300 -0.150 0.000 1.114 373 M CB -0.257 32.297 32.600 -0.077 0.000 1.361 373 M HN 0.135 nan 8.290 nan 0.000 0.408 374 V N 0.193 119.933 119.914 -0.290 0.000 2.343 374 V HA -0.265 3.850 4.120 -0.007 0.000 0.247 374 V C 2.535 178.426 176.094 -0.338 0.000 1.051 374 V CA 2.011 64.131 62.300 -0.300 0.000 1.036 374 V CB -1.190 30.439 31.823 -0.324 0.000 0.654 374 V HN 0.537 nan 8.190 nan 0.000 0.451 375 A N -0.527 121.975 122.820 -0.530 0.000 1.969 375 A HA -0.114 4.202 4.320 -0.007 0.000 0.218 375 A C 2.387 179.930 177.584 -0.068 0.000 1.169 375 A CA 1.682 53.509 52.037 -0.349 0.000 0.635 375 A CB -0.538 17.875 19.000 -0.979 0.000 0.810 375 A HN 0.322 nan 8.150 nan 0.000 0.445 376 V N 1.054 120.871 119.914 -0.161 0.000 2.295 376 V HA -0.306 3.810 4.120 -0.007 0.000 0.246 376 V C 2.590 178.647 176.094 -0.061 0.000 1.049 376 V CA 2.525 64.790 62.300 -0.058 0.000 1.024 376 V CB -0.814 30.978 31.823 -0.052 0.000 0.648 376 V HN 0.944 nan 8.190 nan 0.000 0.447 377 E N -0.221 119.911 120.200 -0.113 0.000 2.230 377 E HA -0.077 4.269 4.350 -0.007 0.000 0.192 377 E C 2.048 178.519 176.600 -0.215 0.000 0.987 377 E CA 0.905 57.224 56.400 -0.136 0.000 0.841 377 E CB -0.298 29.326 29.700 -0.127 0.000 0.783 377 E HN 0.507 nan 8.360 nan 0.000 0.481 378 L N -0.343 120.695 121.223 -0.309 0.000 2.240 378 L HA 0.108 4.444 4.340 -0.007 0.000 0.211 378 L C 0.352 176.658 176.870 -0.941 0.000 1.106 378 L CA 0.536 54.982 54.840 -0.657 0.000 0.793 378 L CB 0.153 41.703 42.059 -0.848 0.000 0.927 378 L HN 0.142 nan 8.230 nan 0.000 0.446 379 F N -0.893 118.980 119.950 -0.128 0.000 2.564 379 F HA 0.302 4.825 4.527 -0.007 0.000 0.329 379 F C -1.640 174.048 175.800 -0.187 0.000 1.458 379 F CA -1.607 56.285 58.000 -0.180 0.000 1.117 379 F CB 0.169 39.127 39.000 -0.070 0.000 1.383 379 F HN -0.170 nan 8.300 nan 0.000 0.571 380 P HA -0.219 nan 4.420 nan 0.000 0.223 380 P C 1.258 178.398 177.300 -0.267 0.000 1.144 380 P CA 1.276 64.286 63.100 -0.149 0.000 0.783 380 P CB 0.258 31.866 31.700 -0.153 0.000 0.771 381 Q N -0.886 118.781 119.800 -0.221 0.000 2.389 381 Q HA -0.115 4.221 4.340 -0.007 0.000 0.204 381 Q C 1.545 177.554 176.000 0.015 0.000 0.944 381 Q CA 1.085 56.775 55.803 -0.189 0.000 0.908 381 Q CB -1.186 27.461 28.738 -0.152 0.000 1.002 381 Q HN 0.394 nan 8.270 nan 0.000 0.493 382 Y N 0.502 120.866 120.300 0.108 0.000 2.546 382 Y HA 0.033 4.579 4.550 -0.007 0.000 0.287 382 Y C -0.179 175.859 175.900 0.230 0.000 1.158 382 Y CA -0.168 58.039 58.100 0.179 0.000 1.307 382 Y CB -0.098 38.447 38.460 0.140 0.000 1.036 382 Y HN 0.268 nan 8.280 nan 0.000 0.532 383 H N -0.202 119.001 119.070 0.221 0.000 2.604 383 H HA -0.171 4.381 4.556 -0.006 0.000 0.321 383 H C -0.471 174.954 175.328 0.162 0.000 1.132 383 H CA 0.075 56.213 56.048 0.151 0.000 1.129 383 H CB -2.012 27.821 29.762 0.118 0.000 1.526 383 H HN 0.276 nan 8.280 nan 0.000 0.415 384 L N 0.504 121.870 121.223 0.238 0.000 2.426 384 L HA 0.159 4.494 4.340 -0.007 0.000 0.271 384 L C 1.005 177.993 176.870 0.196 0.000 1.169 384 L CA 0.368 55.358 54.840 0.250 0.000 0.836 384 L CB 0.775 42.984 42.059 0.251 0.000 1.112 384 L HN 0.438 nan 8.230 nan 0.000 0.465 385 E N 1.446 121.778 120.200 0.219 0.000 2.133 385 E HA 0.336 4.682 4.350 -0.007 0.000 0.274 385 E C 0.366 177.113 176.600 0.246 0.000 0.930 385 E CA -0.376 56.131 56.400 0.178 0.000 0.770 385 E CB 1.795 31.579 29.700 0.141 0.000 1.104 385 E HN 0.712 nan 8.360 nan 0.000 0.403 386 A N 3.780 126.711 122.820 0.184 0.000 1.972 386 A HA -0.121 4.195 4.320 -0.007 0.000 0.219 386 A C 1.901 179.641 177.584 0.260 0.000 1.169 386 A CA 1.676 53.834 52.037 0.202 0.000 0.635 386 A CB -0.682 18.374 19.000 0.093 0.000 0.810 386 A HN 0.797 nan 8.150 nan 0.000 0.446 387 G N -0.224 108.690 108.800 0.191 0.000 2.462 387 G HA2 -0.234 3.722 3.960 -0.007 0.000 0.220 387 G HA3 -0.234 3.722 3.960 -0.007 0.000 0.220 387 G C 1.685 176.681 174.900 0.160 0.000 1.121 387 G CA 2.028 47.225 45.100 0.161 0.000 0.758 387 G HN 0.664 nan 8.290 nan 0.000 0.559 388 T N -0.590 114.069 114.554 0.175 0.000 2.674 388 T HA -0.116 4.230 4.350 -0.007 0.000 0.265 388 T C 2.085 176.868 174.700 0.138 0.000 1.039 388 T CA 1.207 63.363 62.100 0.093 0.000 1.150 388 T CB -0.605 68.286 68.868 0.039 0.000 0.864 388 T HN 0.148 nan 8.240 nan 0.000 0.427 389 F N 2.466 122.559 119.950 0.239 0.000 2.202 389 F HA 0.133 4.657 4.527 -0.006 0.000 0.301 389 F C 2.985 178.902 175.800 0.195 0.000 1.082 389 F CA 0.706 58.859 58.000 0.255 0.000 1.313 389 F CB -0.895 38.199 39.000 0.156 0.000 1.024 389 F HN 0.273 nan 8.300 nan 0.000 0.495 390 A N 0.269 123.277 122.820 0.314 0.000 1.902 390 A HA -0.166 4.150 4.320 -0.007 0.000 0.217 390 A C 2.246 179.912 177.584 0.136 0.000 1.181 390 A CA 1.697 53.861 52.037 0.211 0.000 0.623 390 A CB -1.020 18.086 19.000 0.177 0.000 0.818 390 A HN 0.398 nan 8.150 nan 0.000 0.443 391 I N -0.536 120.093 120.570 0.097 0.000 2.286 391 I HA -0.218 3.948 4.170 -0.007 0.000 0.245 391 I C 2.938 179.040 176.117 -0.024 0.000 1.104 391 I CA 0.868 62.181 61.300 0.023 0.000 1.397 391 I CB -0.220 37.778 38.000 -0.004 0.000 1.072 391 I HN 0.356 nan 8.210 nan 0.000 0.417 392 A N 0.577 123.397 122.820 0.000 0.000 1.902 392 A HA -0.150 4.166 4.320 -0.007 0.000 0.217 392 A C 2.332 179.874 177.584 -0.070 0.000 1.181 392 A CA 1.969 53.983 52.037 -0.038 0.000 0.623 392 A CB -1.328 17.735 19.000 0.104 0.000 0.818 392 A HN 0.464 nan 8.150 nan 0.000 0.443 393 G N -1.336 107.473 108.800 0.015 0.000 2.712 393 G HA2 0.040 3.996 3.960 -0.007 0.000 0.212 393 G HA3 0.040 3.996 3.960 -0.007 0.000 0.212 393 G C 1.411 176.186 174.900 -0.208 0.000 1.142 393 G CA 0.768 45.819 45.100 -0.082 0.000 0.789 393 G HN 0.499 nan 8.290 nan 0.000 0.535 394 M N 0.984 120.523 119.600 -0.102 0.000 2.065 394 M HA 0.015 4.491 4.480 -0.007 0.000 0.259 394 M C 2.232 178.412 176.300 -0.201 0.000 1.071 394 M CA 2.089 57.331 55.300 -0.097 0.000 1.109 394 M CB -0.156 32.414 32.600 -0.049 0.000 1.313 394 M HN 0.133 nan 8.290 nan 0.000 0.408 395 G N -1.361 107.296 108.800 -0.238 0.000 3.233 395 G HA2 0.340 4.296 3.960 -0.007 0.000 0.227 395 G HA3 0.340 4.296 3.960 -0.007 0.000 0.227 395 G C 1.161 175.840 174.900 -0.368 0.000 1.175 395 G CA 0.483 45.424 45.100 -0.265 0.000 0.781 395 G HN 0.618 nan 8.290 nan 0.000 0.542 396 A N 0.478 122.945 122.820 -0.588 0.000 1.929 396 A HA 0.155 4.471 4.320 -0.007 0.000 0.216 396 A C 2.125 179.302 177.584 -0.678 0.000 1.176 396 A CA 0.614 52.155 52.037 -0.826 0.000 0.628 396 A CB -0.270 17.766 19.000 -1.606 0.000 0.816 396 A HN 0.339 nan 8.150 nan 0.000 0.444 397 L N -0.108 120.766 121.223 -0.581 0.000 2.201 397 L HA -0.061 4.275 4.340 -0.007 0.000 0.212 397 L C 2.192 178.909 176.870 -0.257 0.000 1.105 397 L CA 1.361 56.087 54.840 -0.189 0.000 0.775 397 L CB -0.748 41.275 42.059 -0.060 0.000 0.913 397 L HN 0.431 nan 8.230 nan 0.000 0.440 398 L N -0.608 120.409 121.223 -0.343 0.000 2.109 398 L HA -0.111 4.225 4.340 -0.007 0.000 0.207 398 L C 2.596 179.314 176.870 -0.254 0.000 1.086 398 L CA 1.009 55.619 54.840 -0.384 0.000 0.760 398 L CB -0.626 41.163 42.059 -0.449 0.000 0.910 398 L HN 0.218 nan 8.230 nan 0.000 0.437 399 A N -0.546 122.140 122.820 -0.224 0.000 2.119 399 A HA 0.179 4.495 4.320 -0.007 0.000 0.216 399 A C 2.199 179.710 177.584 -0.122 0.000 1.152 399 A CA 1.334 53.277 52.037 -0.158 0.000 0.708 399 A CB -0.254 18.644 19.000 -0.169 0.000 0.805 399 A HN 0.385 nan 8.150 nan 0.000 0.460 400 A N -2.019 120.733 122.820 -0.113 0.000 2.138 400 A HA 0.357 4.673 4.320 -0.007 0.000 0.203 400 A C 2.095 179.645 177.584 -0.058 0.000 1.286 400 A CA 1.143 53.148 52.037 -0.054 0.000 0.929 400 A CB -0.041 18.976 19.000 0.028 0.000 0.975 400 A HN 0.310 nan 8.150 nan 0.000 0.480 401 S N -0.342 115.306 115.700 -0.086 0.000 2.398 401 S HA 0.190 4.656 4.470 -0.007 0.000 0.220 401 S C 1.631 176.148 174.600 -0.138 0.000 1.046 401 S CA 0.774 58.922 58.200 -0.087 0.000 0.953 401 S CB -0.237 62.929 63.200 -0.057 0.000 0.856 401 S HN 0.425 nan 8.310 nan 0.000 0.506 402 I N 1.143 121.587 120.570 -0.210 0.000 2.876 402 I HA 0.071 4.237 4.170 -0.007 0.000 0.264 402 I C 0.173 176.245 176.117 -0.075 0.000 1.204 402 I CA 0.332 61.501 61.300 -0.218 0.000 1.485 402 I CB 0.076 37.879 38.000 -0.328 0.000 1.103 402 I HN 0.124 nan 8.210 nan 0.000 0.446 403 R N 0.428 120.879 120.500 -0.082 0.000 3.422 403 R HA -0.171 4.165 4.340 -0.007 0.000 0.267 403 R C -0.061 176.234 176.300 -0.008 0.000 1.074 403 R CA 0.746 56.817 56.100 -0.049 0.000 0.718 403 R CB -2.523 27.754 30.300 -0.038 0.000 1.157 403 R HN 0.373 nan 8.270 nan 0.000 0.440 404 A N 0.320 123.144 122.820 0.007 0.000 3.165 404 A HA 0.455 4.771 4.320 -0.007 0.000 0.331 404 A C -1.018 176.580 177.584 0.023 0.000 1.034 404 A CA -1.090 50.987 52.037 0.067 0.000 0.906 404 A CB 0.742 19.873 19.000 0.219 0.000 1.054 404 A HN -0.013 nan 8.150 nan 0.000 0.484 405 P HA -0.187 nan 4.420 nan 0.000 0.214 405 P C 1.594 178.875 177.300 -0.031 0.000 1.163 405 P CA 0.736 63.804 63.100 -0.053 0.000 0.883 405 P CB 0.233 31.896 31.700 -0.062 0.000 0.788 406 L N -0.119 121.099 121.223 -0.010 0.000 2.079 406 L HA -0.117 4.219 4.340 -0.007 0.000 0.210 406 L C 2.280 179.164 176.870 0.022 0.000 1.081 406 L CA 2.186 57.026 54.840 0.000 0.000 0.752 406 L CB -1.767 40.295 42.059 0.005 0.000 0.896 406 L HN -0.040 nan 8.230 nan 0.000 0.433 407 T N -0.918 113.675 114.554 0.066 0.000 2.708 407 T HA -0.117 4.229 4.350 -0.007 0.000 0.266 407 T C 1.719 176.459 174.700 0.067 0.000 1.037 407 T CA 1.282 63.452 62.100 0.116 0.000 1.146 407 T CB -0.922 68.108 68.868 0.270 0.000 0.865 407 T HN 0.559 nan 8.240 nan 0.000 0.435 408 G N 1.108 109.928 108.800 0.032 0.000 2.421 408 G HA2 -0.142 3.814 3.960 -0.007 0.000 0.216 408 G HA3 -0.142 3.814 3.960 -0.007 0.000 0.216 408 G C 1.565 176.420 174.900 -0.075 0.000 1.171 408 G CA 0.518 45.592 45.100 -0.043 0.000 0.775 408 G HN 0.472 nan 8.290 nan 0.000 0.543 409 I N 0.338 120.866 120.570 -0.070 0.000 2.226 409 I HA -0.108 4.058 4.170 -0.007 0.000 0.245 409 I C 2.521 178.607 176.117 -0.052 0.000 1.100 409 I CA 0.929 62.183 61.300 -0.077 0.000 1.374 409 I CB -0.059 37.894 38.000 -0.078 0.000 1.057 409 I HN 0.130 nan 8.210 nan 0.000 0.413 410 I N -0.358 120.195 120.570 -0.028 0.000 2.761 410 I HA -0.204 3.962 4.170 -0.007 0.000 0.261 410 I C 2.195 178.290 176.117 -0.038 0.000 1.198 410 I CA 0.425 61.715 61.300 -0.016 0.000 1.482 410 I CB -0.001 38.000 38.000 0.001 0.000 1.100 410 I HN 0.222 nan 8.210 nan 0.000 0.445 411 L N 0.296 121.484 121.223 -0.060 0.000 1.988 411 L HA -0.141 4.195 4.340 -0.007 0.000 0.207 411 L C 2.450 179.245 176.870 -0.126 0.000 1.071 411 L CA 1.847 56.614 54.840 -0.121 0.000 0.744 411 L CB -0.498 41.462 42.059 -0.166 0.000 0.893 411 L HN -0.050 nan 8.230 nan 0.000 0.433 412 V N -0.007 119.842 119.914 -0.109 0.000 2.231 412 V HA -0.335 3.781 4.120 -0.007 0.000 0.248 412 V C 2.588 178.649 176.094 -0.054 0.000 1.054 412 V CA 2.121 64.369 62.300 -0.087 0.000 1.015 412 V CB -0.927 30.841 31.823 -0.090 0.000 0.638 412 V HN 0.619 nan 8.190 nan 0.000 0.444 413 L N 0.122 121.320 121.223 -0.042 0.000 2.137 413 L HA -0.230 4.106 4.340 -0.007 0.000 0.213 413 L C 2.226 179.097 176.870 0.003 0.000 1.085 413 L CA 2.057 56.894 54.840 -0.006 0.000 0.760 413 L CB -0.682 41.391 42.059 0.024 0.000 0.893 413 L HN 0.417 nan 8.230 nan 0.000 0.434 414 E N -1.322 118.868 120.200 -0.017 0.000 2.299 414 E HA -0.098 4.248 4.350 -0.007 0.000 0.193 414 E C 2.022 178.615 176.600 -0.010 0.000 0.998 414 E CA 1.035 57.427 56.400 -0.013 0.000 0.851 414 E CB 0.015 29.699 29.700 -0.026 0.000 0.795 414 E HN 0.597 nan 8.360 nan 0.000 0.492 415 M N -0.554 119.034 119.600 -0.021 0.000 2.567 415 M HA -0.023 4.453 4.480 -0.007 0.000 0.261 415 M C 2.195 178.501 176.300 0.009 0.000 1.180 415 M CA 0.968 56.263 55.300 -0.007 0.000 1.143 415 M CB 0.531 33.120 32.600 -0.017 0.000 1.319 415 M HN 0.062 nan 8.290 nan 0.000 0.490 416 T N -3.891 110.666 114.554 0.006 0.000 3.037 416 T HA 0.013 4.359 4.350 -0.007 0.000 0.251 416 T C 0.662 175.373 174.700 0.018 0.000 1.079 416 T CA 0.054 62.163 62.100 0.014 0.000 1.067 416 T CB -0.063 68.809 68.868 0.006 0.000 0.948 416 T HN 0.308 nan 8.240 nan 0.000 0.496 417 D N 2.167 122.579 120.400 0.021 0.000 2.802 417 D HA -0.162 4.474 4.640 -0.007 0.000 0.229 417 D C -0.712 175.611 176.300 0.038 0.000 1.203 417 D CA 0.354 54.374 54.000 0.033 0.000 0.712 417 D CB -1.629 39.189 40.800 0.030 0.000 0.973 417 D HN 0.528 nan 8.370 nan 0.000 0.407 418 N N 1.160 119.881 118.700 0.035 0.000 2.610 418 N HA -0.010 4.726 4.740 -0.007 0.000 0.307 418 N C 0.771 176.288 175.510 0.011 0.000 1.813 418 N CA -0.420 52.640 53.050 0.016 0.000 0.901 418 N CB 0.089 38.564 38.487 -0.020 0.000 1.354 418 N HN 0.349 nan 8.380 nan 0.000 0.491 419 Y N 2.558 122.831 120.300 -0.045 0.000 2.181 419 Y HA -0.337 4.209 4.550 -0.007 0.000 0.284 419 Y C 2.142 178.002 175.900 -0.067 0.000 1.179 419 Y CA 2.203 60.271 58.100 -0.053 0.000 1.179 419 Y CB 0.254 38.691 38.460 -0.039 0.000 0.973 419 Y HN 0.254 nan 8.280 nan 0.000 0.519 420 Q N 0.168 119.938 119.800 -0.049 0.000 2.376 420 Q HA -0.175 4.161 4.340 -0.007 0.000 0.211 420 Q C 1.186 177.040 176.000 -0.243 0.000 0.986 420 Q CA 1.909 57.636 55.803 -0.127 0.000 0.886 420 Q CB -0.927 27.788 28.738 -0.037 0.000 0.927 420 Q HN 0.592 nan 8.270 nan 0.000 0.457 421 L N -0.059 121.004 121.223 -0.268 0.000 2.783 421 L HA 0.228 4.564 4.340 -0.007 0.000 0.236 421 L C 1.016 177.645 176.870 -0.401 0.000 1.225 421 L CA -0.325 54.320 54.840 -0.325 0.000 1.026 421 L CB 0.069 41.974 42.059 -0.256 0.000 1.314 421 L HN 0.202 nan 8.230 nan 0.000 0.489 422 I N -0.319 119.942 120.570 -0.514 0.000 2.286 422 I HA -0.243 3.923 4.170 -0.007 0.000 0.245 422 I C 1.983 177.872 176.117 -0.380 0.000 1.104 422 I CA 1.555 62.539 61.300 -0.527 0.000 1.397 422 I CB 0.181 37.615 38.000 -0.944 0.000 1.072 422 I HN 0.192 nan 8.210 nan 0.000 0.417 423 L N 0.956 121.958 121.223 -0.367 0.000 2.027 423 L HA -0.069 4.267 4.340 -0.007 0.000 0.206 423 L C -0.456 176.211 176.870 -0.339 0.000 1.074 423 L CA 2.280 56.948 54.840 -0.287 0.000 0.745 423 L CB -2.087 39.834 42.059 -0.230 0.000 0.898 423 L HN 0.177 nan 8.230 nan 0.000 0.433 424 P HA -0.135 nan 4.420 nan 0.000 0.218 424 P C 2.028 179.009 177.300 -0.532 0.000 1.149 424 P CA 1.393 63.985 63.100 -0.847 0.000 0.817 424 P CB -0.018 30.597 31.700 -1.809 0.000 0.785 425 M N -1.473 117.879 119.600 -0.412 0.000 2.077 425 M HA -0.127 4.349 4.480 -0.007 0.000 0.261 425 M C 2.133 178.316 176.300 -0.195 0.000 1.070 425 M CA 1.874 57.016 55.300 -0.263 0.000 1.125 425 M CB -0.828 31.633 32.600 -0.232 0.000 1.339 425 M HN -0.104 nan 8.290 nan 0.000 0.409 426 I N 0.300 120.759 120.570 -0.185 0.000 2.163 426 I HA -0.325 3.841 4.170 -0.007 0.000 0.243 426 I C 2.244 178.297 176.117 -0.106 0.000 1.085 426 I CA 1.497 62.718 61.300 -0.130 0.000 1.347 426 I CB -0.362 37.569 38.000 -0.115 0.000 1.044 426 I HN 0.283 nan 8.210 nan 0.000 0.408 427 I N 0.068 120.571 120.570 -0.112 0.000 2.252 427 I HA -0.249 3.917 4.170 -0.007 0.000 0.245 427 I C 2.532 178.631 176.117 -0.030 0.000 1.102 427 I CA 1.428 62.695 61.300 -0.055 0.000 1.385 427 I CB -0.583 37.395 38.000 -0.036 0.000 1.064 427 I HN 0.207 nan 8.210 nan 0.000 0.414 428 T N 0.528 115.060 114.554 -0.037 0.000 2.708 428 T HA -0.121 4.225 4.350 -0.007 0.000 0.266 428 T C 1.978 176.626 174.700 -0.086 0.000 1.037 428 T CA 1.551 63.636 62.100 -0.025 0.000 1.146 428 T CB -0.798 68.066 68.868 -0.007 0.000 0.865 428 T HN 0.573 nan 8.240 nan 0.000 0.435 429 G N 1.334 110.059 108.800 -0.125 0.000 2.476 429 G HA2 -0.194 3.762 3.960 -0.007 0.000 0.218 429 G HA3 -0.194 3.762 3.960 -0.007 0.000 0.218 429 G C 1.537 176.378 174.900 -0.099 0.000 1.164 429 G CA 0.938 45.953 45.100 -0.142 0.000 0.768 429 G HN 0.408 nan 8.290 nan 0.000 0.560 430 L N 1.294 122.475 121.223 -0.070 0.000 2.027 430 L HA 0.199 4.535 4.340 -0.007 0.000 0.206 430 L C 2.912 179.762 176.870 -0.034 0.000 1.074 430 L CA 2.185 56.995 54.840 -0.049 0.000 0.745 430 L CB -0.918 41.121 42.059 -0.033 0.000 0.898 430 L HN 0.180 nan 8.230 nan 0.000 0.433 431 G N -1.060 107.730 108.800 -0.015 0.000 2.475 431 G HA2 -0.300 3.656 3.960 -0.007 0.000 0.220 431 G HA3 -0.300 3.656 3.960 -0.007 0.000 0.220 431 G C 1.582 176.488 174.900 0.010 0.000 1.125 431 G CA 0.866 45.973 45.100 0.012 0.000 0.755 431 G HN 0.619 nan 8.290 nan 0.000 0.565 432 A N 0.533 123.346 122.820 -0.011 0.000 1.873 432 A HA 0.005 4.321 4.320 -0.007 0.000 0.215 432 A C 2.581 180.145 177.584 -0.032 0.000 1.186 432 A CA 2.455 54.492 52.037 0.001 0.000 0.616 432 A CB -0.875 18.088 19.000 -0.062 0.000 0.823 432 A HN 0.334 nan 8.150 nan 0.000 0.442 433 T N 0.179 114.693 114.554 -0.067 0.000 2.904 433 T HA 0.023 4.369 4.350 -0.007 0.000 0.267 433 T C 1.813 176.426 174.700 -0.145 0.000 1.059 433 T CA 1.165 63.208 62.100 -0.095 0.000 1.137 433 T CB -0.298 68.515 68.868 -0.092 0.000 0.879 433 T HN 0.304 nan 8.240 nan 0.000 0.467 434 L N 0.253 121.398 121.223 -0.130 0.000 2.044 434 L HA 0.050 4.386 4.340 -0.007 0.000 0.205 434 L C 2.458 179.194 176.870 -0.224 0.000 1.075 434 L CA 0.874 55.586 54.840 -0.213 0.000 0.747 434 L CB -0.411 41.619 42.059 -0.047 0.000 0.903 434 L HN 0.225 nan 8.230 nan 0.000 0.435 435 L N -0.436 120.761 121.223 -0.044 0.000 2.313 435 L HA -0.033 4.303 4.340 -0.007 0.000 0.214 435 L C 2.637 179.498 176.870 -0.014 0.000 1.119 435 L CA 1.124 55.982 54.840 0.030 0.000 0.809 435 L CB -1.015 41.087 42.059 0.071 0.000 0.933 435 L HN 0.199 nan 8.230 nan 0.000 0.449 436 A N -0.977 121.808 122.820 -0.059 0.000 2.066 436 A HA -0.195 4.121 4.320 -0.007 0.000 0.218 436 A C 2.231 179.750 177.584 -0.110 0.000 1.157 436 A CA 1.007 53.005 52.037 -0.066 0.000 0.670 436 A CB -0.195 18.768 19.000 -0.061 0.000 0.804 436 A HN 0.442 nan 8.150 nan 0.000 0.453 437 Q N -1.140 118.526 119.800 -0.224 0.000 2.008 437 Q HA -0.051 4.285 4.340 -0.007 0.000 0.196 437 Q C 0.744 176.625 176.000 -0.198 0.000 0.973 437 Q CA 1.092 56.708 55.803 -0.312 0.000 0.826 437 Q CB -0.098 28.276 28.738 -0.606 0.000 0.894 437 Q HN 0.602 nan 8.270 nan 0.000 0.439 438 F N 0.711 120.665 119.950 0.007 0.000 2.772 438 F HA 0.030 4.553 4.527 -0.007 0.000 0.302 438 F C 1.367 177.169 175.800 0.003 0.000 1.225 438 F CA 0.845 58.849 58.000 0.007 0.000 1.429 438 F CB -0.251 38.755 39.000 0.010 0.000 1.104 438 F HN 0.107 nan 8.300 nan 0.000 0.550 439 T N -4.260 110.362 114.554 0.114 0.000 3.182 439 T HA 0.455 4.801 4.350 -0.007 0.000 0.277 439 T C 1.490 176.205 174.700 0.026 0.000 1.013 439 T CA 0.134 62.271 62.100 0.062 0.000 0.900 439 T CB 0.199 69.085 68.868 0.030 0.000 1.098 439 T HN 0.345 nan 8.240 nan 0.000 0.543 440 G N 0.805 109.626 108.800 0.034 0.000 2.168 440 G HA2 -0.100 3.856 3.960 -0.007 0.000 0.257 440 G HA3 -0.100 3.856 3.960 -0.007 0.000 0.257 440 G C 0.487 175.381 174.900 -0.010 0.000 0.997 440 G CA -0.229 44.881 45.100 0.018 0.000 0.708 440 G HN 1.057 nan 8.290 nan 0.000 0.520 441 G N -0.499 108.283 108.800 -0.029 0.000 2.539 441 G HA2 0.556 4.512 3.960 -0.007 0.000 0.258 441 G HA3 0.556 4.512 3.960 -0.007 0.000 0.258 441 G C -0.001 174.879 174.900 -0.034 0.000 1.202 441 G CA -0.227 44.846 45.100 -0.045 0.000 0.851 441 G HN 0.521 nan 8.290 nan 0.000 0.556 442 K N 1.494 121.877 120.400 -0.028 0.000 2.422 442 K HA 0.315 4.631 4.320 -0.007 0.000 0.251 442 K C -2.888 173.709 176.600 -0.005 0.000 0.933 442 K CA -1.929 54.355 56.287 -0.005 0.000 0.798 442 K CB 2.694 35.200 32.500 0.010 0.000 1.238 442 K HN 0.119 nan 8.250 nan 0.000 0.428 443 P HA -0.125 nan 4.420 nan 0.000 0.250 443 P C 1.042 178.363 177.300 0.036 0.000 1.161 443 P CA 0.075 63.189 63.100 0.023 0.000 0.863 443 P CB 0.155 31.894 31.700 0.064 0.000 0.827 444 L N 4.028 125.232 121.223 -0.032 0.000 2.089 444 L HA -0.239 4.097 4.340 -0.007 0.000 0.213 444 L C 1.271 178.181 176.870 0.068 0.000 1.079 444 L CA 2.248 57.063 54.840 -0.041 0.000 0.758 444 L CB -0.753 41.202 42.059 -0.173 0.000 0.891 444 L HN 0.415 nan 8.230 nan 0.000 0.433 445 Y N -0.803 119.572 120.300 0.125 0.000 2.314 445 Y HA -0.143 4.403 4.550 -0.007 0.000 0.293 445 Y C 2.778 178.753 175.900 0.124 0.000 1.129 445 Y CA 0.851 59.043 58.100 0.154 0.000 1.201 445 Y CB 0.118 38.692 38.460 0.190 0.000 0.999 445 Y HN 0.205 nan 8.280 nan 0.000 0.541 446 S N -0.430 115.425 115.700 0.257 0.000 2.436 446 S HA -0.058 4.407 4.470 -0.007 0.000 0.228 446 S C 2.139 176.824 174.600 0.142 0.000 1.014 446 S CA 0.681 58.992 58.200 0.185 0.000 0.950 446 S CB -0.169 63.136 63.200 0.176 0.000 0.784 446 S HN 0.478 nan 8.310 nan 0.000 0.504 447 A N 1.310 124.207 122.820 0.128 0.000 1.929 447 A HA 0.070 4.386 4.320 -0.007 0.000 0.216 447 A C 1.924 179.567 177.584 0.098 0.000 1.176 447 A CA 0.887 52.979 52.037 0.091 0.000 0.628 447 A CB -0.499 18.540 19.000 0.066 0.000 0.816 447 A HN 0.496 nan 8.150 nan 0.000 0.444 448 I N -0.837 119.818 120.570 0.142 0.000 2.353 448 I HA -0.153 4.013 4.170 -0.007 0.000 0.248 448 I C 2.330 178.514 176.117 0.111 0.000 1.119 448 I CA 0.700 62.083 61.300 0.138 0.000 1.417 448 I CB -0.189 37.933 38.000 0.204 0.000 1.078 448 I HN 0.360 nan 8.210 nan 0.000 0.421 449 L N 1.432 122.728 121.223 0.122 0.000 2.046 449 L HA -0.112 4.224 4.340 -0.007 0.000 0.208 449 L C 2.516 179.424 176.870 0.064 0.000 1.077 449 L CA 2.084 56.978 54.840 0.090 0.000 0.747 449 L CB -0.770 41.349 42.059 0.100 0.000 0.896 449 L HN 0.174 nan 8.230 nan 0.000 0.432 450 A N -0.737 122.121 122.820 0.063 0.000 1.969 450 A HA -0.135 4.181 4.320 -0.007 0.000 0.218 450 A C 2.386 179.987 177.584 0.028 0.000 1.169 450 A CA 1.222 53.281 52.037 0.037 0.000 0.635 450 A CB -0.444 18.576 19.000 0.033 0.000 0.810 450 A HN 0.438 nan 8.150 nan 0.000 0.445 451 R N -0.786 119.736 120.500 0.037 0.000 2.073 451 R HA -0.051 4.285 4.340 -0.007 0.000 0.229 451 R C 2.124 178.438 176.300 0.022 0.000 1.120 451 R CA 1.784 57.899 56.100 0.025 0.000 0.967 451 R CB -0.978 29.340 30.300 0.030 0.000 0.862 451 R HN 0.541 nan 8.270 nan 0.000 0.436 452 T N 1.708 116.282 114.554 0.034 0.000 2.867 452 T HA -0.082 4.264 4.350 -0.007 0.000 0.268 452 T C 1.769 176.482 174.700 0.023 0.000 1.057 452 T CA 0.701 62.819 62.100 0.030 0.000 1.136 452 T CB -0.079 68.812 68.868 0.038 0.000 0.874 452 T HN -0.003 nan 8.240 nan 0.000 0.466 453 L N 0.756 121.992 121.223 0.023 0.000 2.179 453 L HA 0.332 4.668 4.340 -0.007 0.000 0.208 453 L C 2.397 179.273 176.870 0.010 0.000 1.096 453 L CA 0.917 55.767 54.840 0.017 0.000 0.779 453 L CB -0.566 41.504 42.059 0.017 0.000 0.922 453 L HN 0.230 nan 8.230 nan 0.000 0.443 454 A N -2.055 120.769 122.820 0.007 0.000 2.275 454 A HA 0.022 4.338 4.320 -0.007 0.000 0.212 454 A C 2.008 179.592 177.584 0.000 0.000 1.201 454 A CA 0.287 52.325 52.037 0.002 0.000 0.843 454 A CB -0.254 18.745 19.000 -0.001 0.000 0.873 454 A HN 0.266 nan 8.150 nan 0.000 0.492 455 K N -0.893 119.509 120.400 0.003 0.000 2.374 455 K HA 0.093 4.409 4.320 -0.007 0.000 0.196 455 K C 1.685 178.290 176.600 0.007 0.000 1.023 455 K CA 0.305 56.593 56.287 0.000 0.000 1.103 455 K CB 0.259 32.757 32.500 -0.003 0.000 0.848 455 K HN 0.578 nan 8.250 nan 0.000 0.528 456 Q N 0.468 120.273 119.800 0.010 0.000 2.349 456 Q HA 0.020 4.356 4.340 -0.007 0.000 0.209 456 Q C 1.227 177.233 176.000 0.009 0.000 0.920 456 Q CA 0.551 56.361 55.803 0.012 0.000 0.901 456 Q CB 0.590 29.336 28.738 0.013 0.000 1.021 456 Q HN 0.180 nan 8.270 nan 0.000 0.519 457 E N -0.944 119.260 120.200 0.006 0.000 2.481 457 E HA -0.002 4.344 4.350 -0.007 0.000 0.195 457 E C 0.778 177.380 176.600 0.003 0.000 1.047 457 E CA 0.437 56.840 56.400 0.004 0.000 0.867 457 E CB 0.405 30.105 29.700 0.001 0.000 0.858 457 E HN 0.325 nan 8.360 nan 0.000 0.513 458 A N 1.163 123.985 122.820 0.003 0.000 2.288 458 A HA 0.017 4.333 4.320 -0.007 0.000 0.216 458 A C 0.737 178.323 177.584 0.004 0.000 1.199 458 A CA -0.209 51.829 52.037 0.001 0.000 0.891 458 A CB 0.199 19.197 19.000 -0.003 0.000 0.923 458 A HN 0.172 nan 8.150 nan 0.000 0.500 459 E N 0.589 120.794 120.200 0.007 0.000 2.884 459 E HA 0.499 4.845 4.350 -0.007 0.000 0.221 459 E C -0.420 176.186 176.600 0.011 0.000 1.137 459 E CA -0.410 55.996 56.400 0.011 0.000 1.160 459 E CB 0.114 29.823 29.700 0.016 0.000 1.385 459 E HN 0.508 nan 8.360 nan 0.000 0.442 460 Q N 0.000 119.805 119.800 0.009 0.000 2.315 460 Q HA 0.000 4.336 4.340 -0.007 0.000 0.214 460 Q CA 0.000 55.808 55.803 0.008 0.000 1.022 460 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481