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 3i12_1_D DATA FIRST_RESID 3 DATA SEQUENCE KLRVGIVFGG KSAEHEVSLQ SAKNIVDAID KTRFDVVLLG IDKAGQWHVN DATA SEQUENCE DAENYLQNAD DPAHIALRPS AISLAQVPGK HQHQLINAQN GQPLPTVDVI DATA SEQUENCE FPIVHGTLGE DGSLQGMLRV ANLPFVGSDV LSSAACMDKD VAKRLLRDAG DATA SEQUENCE LNIAPFITLT RTNRHAFSFA EVESRLGLPL FVKPANQGSS VGVSKVANEA DATA SEQUENCE QYQQAVALAF EFDHKVVVEQ GIKGREIECA VLGNDNPQAS TCGEIVLNSE DATA SEQUENCE FXXXXXXYID DNGAQVVVPA QIPSEVNDKI RAIAIQAYQT LGCAGMARVD DATA SEQUENCE VFLTADNEVV INEINTLPGF TNISMYPKLW QASGLGYTDL ISRLIELALE DATA SEQUENCE RHTANNALKT T 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.604 176.600 0.007 0.000 0.988 3 K CA 0.000 56.260 56.287 -0.044 0.000 0.838 3 K CB 0.000 32.482 32.500 -0.030 0.000 1.064 4 L N 3.136 124.382 121.223 0.037 0.000 2.410 4 L HA 0.275 4.615 4.340 -0.000 0.000 0.273 4 L C 0.305 177.279 176.870 0.173 0.000 1.152 4 L CA -0.084 54.834 54.840 0.130 0.000 0.855 4 L CB 0.355 42.559 42.059 0.242 0.000 1.129 4 L HN 0.356 nan 8.230 nan 0.000 0.463 5 R N 2.461 123.027 120.500 0.109 0.000 2.234 5 R HA 0.374 4.714 4.340 -0.000 0.000 0.324 5 R C -0.935 175.411 176.300 0.076 0.000 1.054 5 R CA -0.413 55.741 56.100 0.090 0.000 0.912 5 R CB 1.176 31.512 30.300 0.060 0.000 1.030 5 R HN 0.316 nan 8.270 nan 0.000 0.455 6 V N 2.763 122.711 119.914 0.057 0.000 2.357 6 V HA 0.383 4.503 4.120 -0.000 0.000 0.284 6 V C 0.508 176.601 176.094 -0.001 0.000 1.018 6 V CA -0.806 61.495 62.300 0.002 0.000 0.841 6 V CB 1.745 33.513 31.823 -0.092 0.000 0.991 6 V HN 0.929 nan 8.190 nan 0.000 0.437 7 G N 5.578 114.389 108.800 0.020 0.000 2.356 7 G HA2 0.605 4.565 3.960 -0.000 0.000 0.312 7 G HA3 0.605 4.565 3.960 -0.000 0.000 0.312 7 G C -0.400 174.515 174.900 0.025 0.000 1.096 7 G CA -0.434 44.684 45.100 0.029 0.000 0.950 7 G HN 0.671 nan 8.290 nan 0.000 0.428 8 I N 2.635 123.199 120.570 -0.009 0.000 2.337 8 I HA 0.131 4.301 4.170 -0.000 0.000 0.291 8 I C -0.165 176.010 176.117 0.096 0.000 1.046 8 I CA -0.516 60.767 61.300 -0.029 0.000 1.324 8 I CB 1.584 39.464 38.000 -0.201 0.000 1.409 8 I HN 0.006 nan 8.210 nan 0.000 0.494 9 V N 8.250 128.178 119.914 0.024 0.000 2.347 9 V HA 0.477 4.597 4.120 -0.000 0.000 0.280 9 V C -0.295 175.752 176.094 -0.079 0.000 1.021 9 V CA -0.414 61.803 62.300 -0.140 0.000 0.847 9 V CB 0.638 32.288 31.823 -0.287 0.000 0.990 9 V HN 0.601 nan 8.190 nan 0.000 0.444 10 F N 2.316 122.068 119.950 -0.329 0.000 2.662 10 F HA 0.999 5.526 4.527 -0.000 0.000 0.312 10 F C 0.505 176.131 175.800 -0.291 0.000 1.113 10 F CA -0.017 57.808 58.000 -0.292 0.000 0.951 10 F CB 1.529 40.389 39.000 -0.232 0.000 1.344 10 F HN 0.924 nan 8.300 nan 0.000 0.462 11 G N 0.505 109.138 108.800 -0.278 0.000 2.754 11 G HA2 0.436 4.396 3.960 -0.000 0.000 0.241 11 G HA3 0.436 4.396 3.960 -0.000 0.000 0.241 11 G C 0.451 175.246 174.900 -0.174 0.000 1.281 11 G CA 0.428 45.226 45.100 -0.504 0.000 0.971 11 G HN 3.115 nan 8.290 nan 0.000 0.569 12 G N -1.147 107.672 108.800 0.032 0.000 2.661 12 G HA2 0.229 4.189 3.960 -0.000 0.000 0.685 12 G HA3 0.229 4.189 3.960 -0.000 0.000 0.685 12 G C 0.363 175.377 174.900 0.191 0.000 1.298 12 G CA 0.628 45.765 45.100 0.062 0.000 0.855 12 G HN 1.192 nan 8.290 nan 0.000 0.560 13 K N -0.201 120.252 120.400 0.087 0.000 2.155 13 K HA 0.137 4.457 4.320 -0.000 0.000 0.203 13 K C 2.007 178.650 176.600 0.072 0.000 1.052 13 K CA 0.995 57.318 56.287 0.061 0.000 0.948 13 K CB -0.262 32.267 32.500 0.048 0.000 0.728 13 K HN 0.801 nan 8.250 nan 0.000 0.448 14 S N 0.018 115.771 115.700 0.087 0.000 2.558 14 S HA -0.134 4.336 4.470 -0.000 0.000 0.297 14 S C 1.143 175.811 174.600 0.112 0.000 1.283 14 S CA 0.261 58.517 58.200 0.093 0.000 1.044 14 S CB 0.867 64.124 63.200 0.095 0.000 0.789 14 S HN 0.347 nan 8.310 nan 0.000 0.500 15 A N 3.700 126.575 122.820 0.090 0.000 2.076 15 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 15 A C 1.623 179.280 177.584 0.122 0.000 1.160 15 A CA 1.746 53.836 52.037 0.089 0.000 0.653 15 A CB -0.569 18.465 19.000 0.057 0.000 0.801 15 A HN 0.892 nan 8.150 nan 0.000 0.455 16 E N -1.284 119.000 120.200 0.141 0.000 2.463 16 E HA 0.048 4.398 4.350 -0.000 0.000 0.191 16 E C 1.174 177.909 176.600 0.224 0.000 1.083 16 E CA 0.271 56.775 56.400 0.174 0.000 0.872 16 E CB -0.567 29.254 29.700 0.202 0.000 0.966 16 E HN 0.849 nan 8.360 nan 0.000 0.491 17 H N 0.925 120.059 119.070 0.107 0.000 2.289 17 H HA -0.178 4.378 4.556 -0.000 0.000 0.296 17 H C 1.410 176.811 175.328 0.121 0.000 1.091 17 H CA 2.184 58.287 56.048 0.092 0.000 1.274 17 H CB 0.405 30.203 29.762 0.060 0.000 1.364 17 H HN 0.056 nan 8.280 nan 0.000 0.490 18 E N -0.370 119.989 120.200 0.264 0.000 2.106 18 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 18 E C 2.453 179.125 176.600 0.120 0.000 0.984 18 E CA 1.086 57.600 56.400 0.191 0.000 0.806 18 E CB -0.111 29.725 29.700 0.226 0.000 0.750 18 E HN 0.325 nan 8.360 nan 0.000 0.458 19 V N 0.289 120.288 119.914 0.143 0.000 2.515 19 V HA -0.230 3.890 4.120 -0.000 0.000 0.250 19 V C 2.289 178.520 176.094 0.228 0.000 1.058 19 V CA 1.792 64.170 62.300 0.131 0.000 1.064 19 V CB -0.481 31.385 31.823 0.072 0.000 0.675 19 V HN 0.289 nan 8.190 nan 0.000 0.461 20 S N -0.372 115.474 115.700 0.243 0.000 2.382 20 S HA -0.103 4.367 4.470 -0.000 0.000 0.228 20 S C 1.904 176.553 174.600 0.081 0.000 1.027 20 S CA 1.369 59.645 58.200 0.126 0.000 0.991 20 S CB -0.256 62.896 63.200 -0.080 0.000 0.823 20 S HN 0.541 nan 8.310 nan 0.000 0.469 21 L N 0.699 121.950 121.223 0.046 0.000 2.093 21 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 21 L C 2.781 179.663 176.870 0.020 0.000 1.085 21 L CA 1.319 56.205 54.840 0.077 0.000 0.755 21 L CB -0.547 41.542 42.059 0.051 0.000 0.904 21 L HN 0.403 nan 8.230 nan 0.000 0.435 22 Q N -0.706 119.114 119.800 0.033 0.000 2.123 22 Q HA -0.113 4.227 4.340 -0.000 0.000 0.199 22 Q C 2.437 178.469 176.000 0.053 0.000 0.966 22 Q CA 1.433 57.245 55.803 0.016 0.000 0.845 22 Q CB -0.048 28.692 28.738 0.002 0.000 0.907 22 Q HN 0.375 nan 8.270 nan 0.000 0.439 23 S N 1.178 116.952 115.700 0.123 0.000 2.359 23 S HA -0.250 4.220 4.470 -0.000 0.000 0.223 23 S C 2.111 176.730 174.600 0.031 0.000 1.039 23 S CA 1.328 59.636 58.200 0.180 0.000 1.042 23 S CB -0.421 62.961 63.200 0.303 0.000 0.915 23 S HN 0.534 nan 8.310 nan 0.000 0.439 24 A N 1.478 124.232 122.820 -0.110 0.000 1.902 24 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 24 A C 2.012 179.461 177.584 -0.226 0.000 1.181 24 A CA 1.869 53.707 52.037 -0.332 0.000 0.623 24 A CB -0.590 17.969 19.000 -0.735 0.000 0.818 24 A HN 0.488 nan 8.150 nan 0.000 0.443 25 K N -0.289 120.047 120.400 -0.106 0.000 2.034 25 K HA -0.249 4.071 4.320 -0.000 0.000 0.214 25 K C 1.611 178.222 176.600 0.019 0.000 1.051 25 K CA 1.991 58.269 56.287 -0.015 0.000 0.931 25 K CB -0.230 32.247 32.500 -0.038 0.000 0.715 25 K HN 0.462 nan 8.250 nan 0.000 0.446 26 N N 0.594 119.331 118.700 0.062 0.000 2.270 26 N HA -0.073 4.667 4.740 -0.000 0.000 0.181 26 N C 1.852 177.542 175.510 0.300 0.000 1.016 26 N CA 1.003 54.157 53.050 0.173 0.000 0.870 26 N CB -0.123 38.460 38.487 0.160 0.000 0.979 26 N HN 0.276 nan 8.380 nan 0.000 0.431 27 I N 0.270 120.914 120.570 0.123 0.000 2.202 27 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 27 I C 2.041 178.094 176.117 -0.106 0.000 1.091 27 I CA 0.720 61.965 61.300 -0.092 0.000 1.368 27 I CB -0.237 37.504 38.000 -0.432 0.000 1.058 27 I HN -0.107 nan 8.210 nan 0.000 0.410 28 V N 0.826 120.669 119.914 -0.118 0.000 2.332 28 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 28 V C 1.966 178.056 176.094 -0.007 0.000 1.055 28 V CA 2.061 64.303 62.300 -0.095 0.000 1.038 28 V CB -0.626 31.136 31.823 -0.103 0.000 0.651 28 V HN 0.427 nan 8.190 nan 0.000 0.450 29 D N -0.105 120.321 120.400 0.042 0.000 2.224 29 D HA -0.003 4.637 4.640 -0.000 0.000 0.205 29 D C 1.998 178.361 176.300 0.105 0.000 0.965 29 D CA 1.410 55.452 54.000 0.070 0.000 0.852 29 D CB 0.046 40.888 40.800 0.069 0.000 0.947 29 D HN 0.487 nan 8.370 nan 0.000 0.494 30 A N 0.431 123.344 122.820 0.156 0.000 2.147 30 A HA 0.141 4.461 4.320 -0.000 0.000 0.211 30 A C 1.237 178.866 177.584 0.076 0.000 1.160 30 A CA -0.359 51.787 52.037 0.182 0.000 0.781 30 A CB 0.005 19.242 19.000 0.394 0.000 0.842 30 A HN 0.175 nan 8.150 nan 0.000 0.475 31 I N 1.052 121.637 120.570 0.025 0.000 2.815 31 I HA -0.067 4.103 4.170 -0.000 0.000 0.291 31 I C -0.273 175.924 176.117 0.133 0.000 1.209 31 I CA -0.067 61.259 61.300 0.043 0.000 1.431 31 I CB 0.454 38.450 38.000 -0.007 0.000 1.351 31 I HN 0.134 nan 8.210 nan 0.000 0.585 32 D N 6.795 127.336 120.400 0.235 0.000 2.348 32 D HA -0.002 4.638 4.640 -0.000 0.000 0.259 32 D C 0.610 176.998 176.300 0.146 0.000 1.296 32 D CA 0.056 54.165 54.000 0.182 0.000 0.931 32 D CB 0.906 41.807 40.800 0.168 0.000 1.067 32 D HN 0.328 nan 8.370 nan 0.000 0.503 33 K N 1.094 121.540 120.400 0.078 0.000 2.365 33 K HA -0.052 4.268 4.320 -0.000 0.000 0.199 33 K C 1.943 178.537 176.600 -0.011 0.000 1.045 33 K CA 0.894 57.211 56.287 0.050 0.000 0.962 33 K CB -0.244 32.278 32.500 0.037 0.000 0.759 33 K HN 0.535 nan 8.250 nan 0.000 0.469 34 T N -2.333 112.194 114.554 -0.044 0.000 3.023 34 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 34 T C 1.775 176.369 174.700 -0.176 0.000 1.093 34 T CA 0.562 62.612 62.100 -0.084 0.000 1.129 34 T CB 0.031 68.856 68.868 -0.071 0.000 0.899 34 T HN 0.111 nan 8.240 nan 0.000 0.491 35 R N -0.503 119.800 120.500 -0.329 0.000 2.175 35 R HA 0.354 4.694 4.340 -0.000 0.000 0.202 35 R C -0.469 175.421 176.300 -0.685 0.000 1.018 35 R CA 0.266 55.958 56.100 -0.680 0.000 1.029 35 R CB 0.279 29.821 30.300 -1.264 0.000 0.959 35 R HN 0.346 nan 8.270 nan 0.000 0.480 36 F N 0.777 120.723 119.950 -0.007 0.000 2.520 36 F HA 0.344 4.871 4.527 -0.000 0.000 0.322 36 F C -0.376 175.417 175.800 -0.012 0.000 1.103 36 F CA -1.589 56.406 58.000 -0.009 0.000 0.926 36 F CB 1.476 40.471 39.000 -0.008 0.000 1.154 36 F HN -0.279 nan 8.300 nan 0.000 0.453 37 D N 2.048 122.553 120.400 0.175 0.000 2.168 37 D HA 0.431 5.071 4.640 -0.000 0.000 0.246 37 D C -0.700 175.646 176.300 0.077 0.000 1.050 37 D CA -0.164 53.893 54.000 0.094 0.000 0.857 37 D CB 2.245 43.081 40.800 0.060 0.000 1.169 37 D HN 0.360 nan 8.370 nan 0.000 0.453 38 V N 0.532 120.462 119.914 0.027 0.000 2.439 38 V HA 0.638 4.758 4.120 -0.000 0.000 0.282 38 V C 0.006 176.082 176.094 -0.030 0.000 1.039 38 V CA -0.760 61.527 62.300 -0.022 0.000 0.913 38 V CB 1.362 33.136 31.823 -0.081 0.000 0.983 38 V HN 0.271 nan 8.190 nan 0.000 0.460 39 V N 5.748 125.649 119.914 -0.021 0.000 2.513 39 V HA 0.631 4.751 4.120 -0.000 0.000 0.299 39 V C -0.451 175.632 176.094 -0.017 0.000 1.035 39 V CA -0.757 61.537 62.300 -0.010 0.000 0.889 39 V CB 1.523 33.361 31.823 0.025 0.000 0.988 39 V HN 0.921 nan 8.190 nan 0.000 0.440 40 L N 6.323 127.536 121.223 -0.016 0.000 2.255 40 L HA 0.426 4.766 4.340 -0.000 0.000 0.289 40 L C -0.790 176.165 176.870 0.140 0.000 1.046 40 L CA -0.572 54.305 54.840 0.060 0.000 0.816 40 L CB 1.355 43.370 42.059 -0.074 0.000 1.197 40 L HN 0.517 nan 8.230 nan 0.000 0.427 41 L N 4.253 125.564 121.223 0.146 0.000 2.494 41 L HA 0.394 4.734 4.340 -0.000 0.000 0.251 41 L C 0.774 177.415 176.870 -0.382 0.000 1.119 41 L CA -0.104 54.711 54.840 -0.041 0.000 1.026 41 L CB 0.749 42.786 42.059 -0.038 0.000 1.370 41 L HN 0.489 nan 8.230 nan 0.000 0.426 42 G N 2.535 111.047 108.800 -0.480 0.000 2.390 42 G HA2 0.544 4.504 3.960 -0.000 0.000 0.270 42 G HA3 0.544 4.504 3.960 -0.000 0.000 0.270 42 G C -0.209 174.340 174.900 -0.586 0.000 1.211 42 G CA -0.307 44.142 45.100 -1.084 0.000 0.842 42 G HN 0.359 nan 8.290 nan 0.000 0.519 43 I N 2.385 122.561 120.570 -0.656 0.000 2.362 43 I HA 0.186 4.356 4.170 -0.000 0.000 0.289 43 I C -0.232 175.842 176.117 -0.072 0.000 0.994 43 I CA -0.972 60.104 61.300 -0.374 0.000 1.158 43 I CB 1.744 39.420 38.000 -0.540 0.000 1.315 43 I HN 0.632 nan 8.210 nan 0.000 0.451 44 D N 5.436 125.896 120.400 0.099 0.000 2.393 44 D HA 0.069 4.709 4.640 -0.000 0.000 0.246 44 D C 0.653 176.999 176.300 0.076 0.000 1.275 44 D CA -0.360 53.726 54.000 0.144 0.000 0.979 44 D CB 0.847 41.735 40.800 0.148 0.000 1.101 44 D HN 0.330 nan 8.370 nan 0.000 0.505 45 K N -0.881 119.470 120.400 -0.082 0.000 2.362 45 K HA 0.015 4.335 4.320 -0.000 0.000 0.200 45 K C 1.685 178.260 176.600 -0.042 0.000 1.046 45 K CA 0.943 57.126 56.287 -0.174 0.000 0.952 45 K CB -0.107 32.206 32.500 -0.310 0.000 0.753 45 K HN 0.494 nan 8.250 nan 0.000 0.466 46 A N 0.055 122.878 122.820 0.006 0.000 2.169 46 A HA 0.183 4.503 4.320 -0.000 0.000 0.212 46 A C 1.440 179.056 177.584 0.052 0.000 1.153 46 A CA 0.874 52.930 52.037 0.030 0.000 0.756 46 A CB -0.158 18.868 19.000 0.043 0.000 0.813 46 A HN 0.368 nan 8.150 nan 0.000 0.471 47 G N -1.463 107.378 108.800 0.067 0.000 2.159 47 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.227 47 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.227 47 G C -0.071 174.924 174.900 0.158 0.000 0.986 47 G CA 0.076 45.234 45.100 0.096 0.000 0.651 47 G HN 0.516 nan 8.290 nan 0.000 0.523 48 Q N -0.639 119.233 119.800 0.119 0.000 2.259 48 Q HA 0.496 4.836 4.340 -0.000 0.000 0.249 48 Q C -0.425 175.551 176.000 -0.039 0.000 0.914 48 Q CA -0.251 55.593 55.803 0.069 0.000 0.904 48 Q CB 1.221 29.971 28.738 0.020 0.000 1.213 48 Q HN 0.329 nan 8.270 nan 0.000 0.428 49 W N 2.122 123.158 121.300 -0.440 0.000 2.438 49 W HA 0.363 5.023 4.660 0.000 0.000 0.324 49 W C 0.480 176.570 176.519 -0.715 0.000 1.119 49 W CA -0.105 56.984 57.345 -0.427 0.000 1.221 49 W CB 0.827 30.146 29.460 -0.235 0.000 1.253 49 W HN 0.492 nan 8.180 nan 0.000 0.555 50 H N 0.132 119.274 119.070 0.121 0.000 2.977 50 H HA 0.567 5.123 4.556 0.000 0.000 0.350 50 H C -1.164 174.195 175.328 0.051 0.000 1.238 50 H CA -1.031 55.060 56.048 0.072 0.000 1.124 50 H CB 1.497 31.277 29.762 0.030 0.000 1.866 50 H HN -0.016 nan 8.280 nan 0.000 0.550 51 V N 2.331 122.360 119.914 0.191 0.000 2.398 51 V HA 0.223 4.343 4.120 -0.000 0.000 0.286 51 V C 0.236 176.400 176.094 0.117 0.000 1.026 51 V CA -0.725 61.648 62.300 0.123 0.000 0.868 51 V CB 1.206 33.085 31.823 0.093 0.000 0.982 51 V HN 0.611 nan 8.190 nan 0.000 0.443 52 N N 2.165 120.924 118.700 0.098 0.000 2.471 52 N HA 0.391 5.131 4.740 -0.000 0.000 0.288 52 N C -1.293 174.247 175.510 0.049 0.000 1.220 52 N CA -0.576 52.535 53.050 0.101 0.000 0.893 52 N CB 2.329 40.919 38.487 0.171 0.000 1.256 52 N HN 0.765 nan 8.380 nan 0.000 0.534 53 D N -0.138 120.307 120.400 0.074 0.000 2.303 53 D HA 0.412 5.052 4.640 -0.000 0.000 0.236 53 D C 0.509 176.847 176.300 0.063 0.000 1.068 53 D CA -0.612 53.420 54.000 0.053 0.000 0.830 53 D CB 1.452 42.297 40.800 0.075 0.000 1.109 53 D HN 0.533 nan 8.370 nan 0.000 0.496 54 A N 3.939 126.735 122.820 -0.040 0.000 2.032 54 A HA -0.194 4.126 4.320 -0.000 0.000 0.221 54 A C 1.765 179.468 177.584 0.197 0.000 1.165 54 A CA 1.260 53.276 52.037 -0.034 0.000 0.645 54 A CB -0.363 18.594 19.000 -0.071 0.000 0.807 54 A HN 0.572 nan 8.150 nan 0.000 0.453 55 E N -0.599 119.681 120.200 0.133 0.000 2.208 55 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 55 E C 0.372 177.052 176.600 0.134 0.000 0.988 55 E CA 1.117 57.585 56.400 0.114 0.000 0.828 55 E CB -0.138 29.604 29.700 0.069 0.000 0.763 55 E HN 0.715 nan 8.360 nan 0.000 0.478 56 N N -0.923 117.889 118.700 0.187 0.000 2.824 56 N HA 0.004 4.744 4.740 -0.000 0.000 0.224 56 N C -0.763 174.858 175.510 0.184 0.000 1.418 56 N CA -0.159 52.966 53.050 0.124 0.000 0.743 56 N CB -0.342 38.190 38.487 0.074 0.000 1.395 56 N HN 0.048 nan 8.380 nan 0.000 0.548 57 Y N 0.376 120.697 120.300 0.035 0.000 2.425 57 Y HA 0.565 5.115 4.550 0.000 0.000 0.261 57 Y C -0.786 175.160 175.900 0.077 0.000 1.084 57 Y CA -0.561 57.579 58.100 0.066 0.000 1.248 57 Y CB 0.589 39.110 38.460 0.103 0.000 1.270 57 Y HN 0.044 nan 8.280 nan 0.000 0.524 58 L N 2.407 123.381 121.223 -0.415 0.000 2.334 58 L HA 0.538 4.878 4.340 -0.000 0.000 0.273 58 L C -0.793 175.996 176.870 -0.135 0.000 1.013 58 L CA -1.003 53.670 54.840 -0.277 0.000 0.816 58 L CB 2.230 44.029 42.059 -0.433 0.000 1.278 58 L HN 0.072 nan 8.230 nan 0.000 0.431 59 Q N 2.051 121.816 119.800 -0.058 0.000 2.316 59 Q HA 0.364 4.704 4.340 -0.000 0.000 0.264 59 Q C -0.751 175.236 176.000 -0.021 0.000 0.987 59 Q CA -0.812 54.975 55.803 -0.027 0.000 0.852 59 Q CB 1.568 30.311 28.738 0.008 0.000 1.287 59 Q HN 0.541 nan 8.270 nan 0.000 0.448 60 N N 0.496 119.182 118.700 -0.024 0.000 2.756 60 N HA -0.223 4.517 4.740 -0.000 0.000 0.248 60 N C 0.167 175.642 175.510 -0.059 0.000 1.062 60 N CA 0.850 53.885 53.050 -0.026 0.000 0.696 60 N CB -1.318 37.175 38.487 0.010 0.000 0.946 60 N HN 0.825 nan 8.380 nan 0.000 0.548 61 A N -0.956 121.814 122.820 -0.083 0.000 2.125 61 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 61 A C 1.848 179.374 177.584 -0.098 0.000 1.156 61 A CA 1.742 53.714 52.037 -0.108 0.000 0.671 61 A CB 0.022 18.935 19.000 -0.145 0.000 0.794 61 A HN 0.325 nan 8.150 nan 0.000 0.459 62 D N -0.153 120.194 120.400 -0.089 0.000 2.214 62 D HA -0.001 4.639 4.640 -0.000 0.000 0.217 62 D C 0.359 176.585 176.300 -0.123 0.000 0.973 62 D CA 0.742 54.685 54.000 -0.095 0.000 0.880 62 D CB -0.246 40.508 40.800 -0.076 0.000 1.031 62 D HN 0.325 nan 8.370 nan 0.000 0.468 63 D N 0.903 121.224 120.400 -0.132 0.000 2.342 63 D HA 0.018 4.658 4.640 -0.000 0.000 0.260 63 D C -1.599 174.575 176.300 -0.210 0.000 1.278 63 D CA -1.577 52.307 54.000 -0.193 0.000 0.910 63 D CB 1.302 41.960 40.800 -0.237 0.000 1.079 63 D HN -0.006 nan 8.370 nan 0.000 0.496 64 P HA -0.131 nan 4.420 nan 0.000 0.218 64 P C 0.096 177.367 177.300 -0.047 0.000 1.148 64 P CA 0.556 63.495 63.100 -0.268 0.000 0.822 64 P CB -0.047 31.286 31.700 -0.613 0.000 0.784 65 A N 0.600 123.432 122.820 0.020 0.000 2.520 65 A HA 0.058 4.378 4.320 -0.000 0.000 0.245 65 A C 0.513 177.927 177.584 -0.284 0.000 1.072 65 A CA 0.378 52.517 52.037 0.171 0.000 0.761 65 A CB -1.348 17.681 19.000 0.049 0.000 1.004 65 A HN 0.566 nan 8.150 nan 0.000 0.499 66 H N -0.479 118.677 119.070 0.144 0.000 2.884 66 H HA -0.194 4.362 4.556 -0.000 0.000 0.289 66 H C 0.187 175.554 175.328 0.066 0.000 1.142 66 H CA 0.490 56.588 56.048 0.084 0.000 1.158 66 H CB -2.154 27.642 29.762 0.056 0.000 1.325 66 H HN 0.622 nan 8.280 nan 0.000 0.366 67 I N 1.119 121.734 120.570 0.076 0.000 2.618 67 I HA 0.338 4.508 4.170 -0.000 0.000 0.284 67 I C 0.619 176.803 176.117 0.112 0.000 1.146 67 I CA 0.506 61.838 61.300 0.054 0.000 1.425 67 I CB 0.197 38.206 38.000 0.014 0.000 1.383 67 I HN 0.469 nan 8.210 nan 0.000 0.562 68 A N 7.323 130.199 122.820 0.094 0.000 2.539 68 A HA 0.540 4.860 4.320 -0.000 0.000 0.296 68 A C -1.276 176.382 177.584 0.123 0.000 1.073 68 A CA -0.709 51.408 52.037 0.132 0.000 0.700 68 A CB 1.423 20.480 19.000 0.096 0.000 1.296 68 A HN 0.665 nan 8.150 nan 0.000 0.405 69 L N 1.512 122.849 121.223 0.190 0.000 2.418 69 L HA 0.347 4.687 4.340 -0.000 0.000 0.274 69 L C 0.905 177.825 176.870 0.083 0.000 1.135 69 L CA 0.189 55.126 54.840 0.163 0.000 0.870 69 L CB 0.212 42.375 42.059 0.174 0.000 1.154 69 L HN 0.750 nan 8.230 nan 0.000 0.462 70 R N 7.046 127.589 120.500 0.071 0.000 2.537 70 R HA 0.239 4.579 4.340 -0.000 0.000 0.280 70 R C -2.135 174.154 176.300 -0.018 0.000 1.058 70 R CA -1.161 54.958 56.100 0.030 0.000 1.057 70 R CB 0.333 30.659 30.300 0.043 0.000 0.973 70 R HN 0.523 nan 8.270 nan 0.000 0.438 71 P HA -0.010 nan 4.420 nan 0.000 0.270 71 P C -1.015 176.197 177.300 -0.145 0.000 1.223 71 P CA -0.134 62.875 63.100 -0.151 0.000 0.785 71 P CB 1.172 32.813 31.700 -0.098 0.000 0.923 72 S N -0.558 114.992 115.700 -0.251 0.000 2.569 72 S HA 0.585 5.055 4.470 -0.000 0.000 0.280 72 S C 0.618 175.203 174.600 -0.025 0.000 1.111 72 S CA -0.218 57.920 58.200 -0.103 0.000 0.887 72 S CB 1.277 64.446 63.200 -0.051 0.000 1.095 72 S HN 0.401 nan 8.310 nan 0.000 0.476 73 A N 3.003 125.842 122.820 0.032 0.000 2.218 73 A HA 0.427 4.747 4.320 -0.000 0.000 0.209 73 A C 0.488 178.125 177.584 0.089 0.000 1.168 73 A CA 0.225 52.294 52.037 0.053 0.000 0.804 73 A CB -0.350 18.672 19.000 0.036 0.000 0.834 73 A HN 0.734 nan 8.150 nan 0.000 0.482 74 I N 1.448 122.094 120.570 0.125 0.000 2.371 74 I HA 0.182 4.352 4.170 -0.000 0.000 0.282 74 I C -0.525 175.708 176.117 0.194 0.000 1.031 74 I CA -0.168 61.206 61.300 0.122 0.000 1.180 74 I CB 1.486 39.543 38.000 0.096 0.000 1.336 74 I HN -0.003 nan 8.210 nan 0.000 0.467 75 S N 6.831 122.611 115.700 0.133 0.000 2.578 75 S HA 0.623 5.093 4.470 -0.000 0.000 0.283 75 S C -0.184 174.410 174.600 -0.009 0.000 1.195 75 S CA -0.603 57.620 58.200 0.038 0.000 1.050 75 S CB 1.584 64.796 63.200 0.021 0.000 1.012 75 S HN 0.364 nan 8.310 nan 0.000 0.511 76 L N 2.029 123.221 121.223 -0.052 0.000 2.325 76 L HA 0.795 5.135 4.340 -0.000 0.000 0.278 76 L C 0.121 176.905 176.870 -0.143 0.000 1.023 76 L CA -0.679 54.130 54.840 -0.052 0.000 0.811 76 L CB 1.528 43.603 42.059 0.028 0.000 1.249 76 L HN 0.719 nan 8.230 nan 0.000 0.431 77 A N 2.712 125.450 122.820 -0.136 0.000 2.386 77 A HA 0.678 4.998 4.320 -0.000 0.000 0.308 77 A C -1.170 176.299 177.584 -0.191 0.000 1.128 77 A CA -0.548 51.380 52.037 -0.181 0.000 0.789 77 A CB 2.045 20.972 19.000 -0.121 0.000 1.325 77 A HN 0.698 nan 8.150 nan 0.000 0.437 78 Q N 0.637 120.308 119.800 -0.216 0.000 2.337 78 Q HA 0.617 4.957 4.340 -0.000 0.000 0.266 78 Q C -1.888 174.038 176.000 -0.124 0.000 1.023 78 Q CA -0.602 55.093 55.803 -0.181 0.000 0.829 78 Q CB 1.852 30.445 28.738 -0.240 0.000 1.306 78 Q HN 0.507 nan 8.270 nan 0.000 0.449 79 V N 5.706 125.568 119.914 -0.086 0.000 2.294 79 V HA 0.365 4.485 4.120 -0.000 0.000 0.272 79 V C -2.216 173.840 176.094 -0.062 0.000 1.027 79 V CA -1.704 60.560 62.300 -0.061 0.000 0.823 79 V CB 0.589 32.392 31.823 -0.033 0.000 1.030 79 V HN 0.787 nan 8.190 nan 0.000 0.457 80 P HA 0.373 nan 4.420 nan 0.000 0.272 80 P C 1.001 178.267 177.300 -0.055 0.000 1.223 80 P CA 0.750 63.810 63.100 -0.067 0.000 0.784 80 P CB 0.896 32.561 31.700 -0.058 0.000 0.923 81 G N 0.159 108.914 108.800 -0.075 0.000 2.176 81 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.232 81 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.232 81 G C -0.033 174.831 174.900 -0.060 0.000 0.986 81 G CA -0.270 44.797 45.100 -0.053 0.000 0.643 81 G HN 0.539 nan 8.290 nan 0.000 0.522 82 K N -0.414 119.925 120.400 -0.101 0.000 2.156 82 K HA 0.593 4.913 4.320 -0.000 0.000 0.254 82 K C 0.255 176.739 176.600 -0.193 0.000 0.950 82 K CA -0.950 55.301 56.287 -0.059 0.000 0.849 82 K CB 1.021 33.517 32.500 -0.006 0.000 1.100 82 K HN 0.257 nan 8.250 nan 0.000 0.434 83 H N 0.821 119.895 119.070 0.007 0.000 2.652 83 H HA 0.044 4.600 4.556 -0.000 0.000 0.274 83 H C 0.055 175.368 175.328 -0.025 0.000 1.021 83 H CA 0.241 56.291 56.048 0.004 0.000 1.187 83 H CB 1.210 30.977 29.762 0.008 0.000 1.505 83 H HN 0.576 nan 8.280 nan 0.000 0.530 84 Q N -0.882 118.938 119.800 0.033 0.000 2.511 84 Q HA 0.173 4.513 4.340 -0.000 0.000 0.289 84 Q C -0.820 175.173 176.000 -0.013 0.000 1.021 84 Q CA -0.971 54.788 55.803 -0.073 0.000 0.785 84 Q CB 1.770 30.369 28.738 -0.230 0.000 1.472 84 Q HN 0.123 nan 8.270 nan 0.000 0.411 85 H N -0.175 118.906 119.070 0.018 0.000 2.776 85 H HA -0.157 4.399 4.556 -0.000 0.000 0.300 85 H C 0.402 175.725 175.328 -0.007 0.000 1.161 85 H CA 1.335 57.388 56.048 0.008 0.000 1.147 85 H CB -1.669 28.099 29.762 0.010 0.000 1.366 85 H HN 0.703 nan 8.280 nan 0.000 0.397 86 Q N -0.146 119.704 119.800 0.083 0.000 2.170 86 Q HA 0.113 4.453 4.340 -0.000 0.000 0.203 86 Q C 0.985 176.983 176.000 -0.003 0.000 0.976 86 Q CA 0.906 56.719 55.803 0.016 0.000 0.858 86 Q CB 0.411 29.139 28.738 -0.018 0.000 0.907 86 Q HN 0.510 nan 8.270 nan 0.000 0.433 87 L N 1.515 122.750 121.223 0.020 0.000 2.309 87 L HA 0.510 4.850 4.340 -0.000 0.000 0.282 87 L C -0.207 176.662 176.870 -0.001 0.000 1.036 87 L CA -0.908 53.929 54.840 -0.005 0.000 0.806 87 L CB 1.114 43.187 42.059 0.024 0.000 1.220 87 L HN 0.143 nan 8.230 nan 0.000 0.429 88 I N -1.020 119.533 120.570 -0.029 0.000 2.934 88 I HA 0.469 4.639 4.170 -0.000 0.000 0.306 88 I C -0.468 175.631 176.117 -0.028 0.000 1.110 88 I CA -0.945 60.336 61.300 -0.032 0.000 1.019 88 I CB 2.036 40.011 38.000 -0.041 0.000 1.227 88 I HN 0.449 nan 8.210 nan 0.000 0.434 89 N N 2.892 121.579 118.700 -0.021 0.000 2.434 89 N HA 0.084 4.824 4.740 -0.000 0.000 0.268 89 N C 0.901 176.398 175.510 -0.021 0.000 1.256 89 N CA 0.739 53.783 53.050 -0.011 0.000 0.914 89 N CB 1.627 40.110 38.487 -0.006 0.000 1.088 89 N HN 0.864 nan 8.380 nan 0.000 0.478 90 A N 4.174 126.979 122.820 -0.025 0.000 2.070 90 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 90 A C 1.907 179.479 177.584 -0.020 0.000 1.159 90 A CA 1.061 53.078 52.037 -0.034 0.000 0.656 90 A CB -0.143 18.830 19.000 -0.045 0.000 0.800 90 A HN 0.809 nan 8.150 nan 0.000 0.453 91 Q N -0.595 119.200 119.800 -0.008 0.000 2.212 91 Q HA -0.112 4.228 4.340 -0.000 0.000 0.199 91 Q C 0.664 176.660 176.000 -0.007 0.000 0.950 91 Q CA 1.485 57.286 55.803 -0.003 0.000 0.863 91 Q CB 0.049 28.792 28.738 0.008 0.000 0.944 91 Q HN 0.921 nan 8.270 nan 0.000 0.465 92 N N -2.814 115.879 118.700 -0.010 0.000 2.082 92 N HA 0.108 4.848 4.740 -0.000 0.000 0.228 92 N C 0.716 176.215 175.510 -0.019 0.000 1.341 92 N CA 0.700 53.742 53.050 -0.013 0.000 0.873 92 N CB 0.728 39.209 38.487 -0.009 0.000 1.137 92 N HN 0.131 nan 8.380 nan 0.000 0.505 93 G N 0.245 109.031 108.800 -0.024 0.000 2.162 93 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.260 93 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.260 93 G C -0.283 174.592 174.900 -0.042 0.000 0.976 93 G CA 0.349 45.431 45.100 -0.031 0.000 0.655 93 G HN 0.609 nan 8.290 nan 0.000 0.533 94 Q N 1.400 121.175 119.800 -0.042 0.000 2.297 94 Q HA 0.379 4.719 4.340 -0.000 0.000 0.267 94 Q C -2.005 173.947 176.000 -0.081 0.000 1.006 94 Q CA -1.523 54.244 55.803 -0.061 0.000 0.896 94 Q CB 1.100 29.811 28.738 -0.044 0.000 1.186 94 Q HN 0.315 nan 8.270 nan 0.000 0.392 95 P HA 0.071 nan 4.420 nan 0.000 0.280 95 P C -0.988 176.230 177.300 -0.137 0.000 1.244 95 P CA -0.428 62.567 63.100 -0.175 0.000 0.784 95 P CB 0.796 32.247 31.700 -0.414 0.000 0.913 96 L N 5.795 126.997 121.223 -0.034 0.000 2.439 96 L HA 0.314 4.654 4.340 -0.000 0.000 0.269 96 L C -1.815 175.109 176.870 0.090 0.000 1.179 96 L CA -1.370 53.482 54.840 0.020 0.000 0.828 96 L CB -1.164 40.927 42.059 0.052 0.000 1.106 96 L HN 0.312 nan 8.230 nan 0.000 0.467 97 P HA 0.082 nan 4.420 nan 0.000 0.267 97 P C -0.475 176.926 177.300 0.169 0.000 1.200 97 P CA -0.432 62.782 63.100 0.191 0.000 0.772 97 P CB 0.163 31.932 31.700 0.115 0.000 0.855 98 T N -0.165 114.478 114.554 0.149 0.000 2.930 98 T HA 0.212 4.562 4.350 -0.000 0.000 0.306 98 T C 0.120 174.853 174.700 0.054 0.000 1.045 98 T CA -0.490 61.655 62.100 0.075 0.000 1.134 98 T CB 0.078 68.931 68.868 -0.024 0.000 0.961 98 T HN 0.054 nan 8.240 nan 0.000 0.545 99 V N 3.457 123.401 119.914 0.050 0.000 2.567 99 V HA 0.218 4.338 4.120 -0.000 0.000 0.289 99 V C 0.901 177.009 176.094 0.023 0.000 1.049 99 V CA -0.416 61.910 62.300 0.044 0.000 0.969 99 V CB 1.551 33.406 31.823 0.054 0.000 0.995 99 V HN 1.013 nan 8.190 nan 0.000 0.471 100 D N 2.053 122.466 120.400 0.022 0.000 2.213 100 D HA 0.056 4.696 4.640 -0.000 0.000 0.205 100 D C 0.193 176.477 176.300 -0.027 0.000 0.961 100 D CA 1.201 55.202 54.000 0.002 0.000 0.853 100 D CB 0.703 41.518 40.800 0.026 0.000 0.967 100 D HN 0.432 nan 8.370 nan 0.000 0.496 101 V N -0.417 119.493 119.914 -0.007 0.000 3.120 101 V HA 0.408 4.528 4.120 -0.000 0.000 0.303 101 V C -0.785 175.321 176.094 0.020 0.000 1.238 101 V CA -1.098 61.190 62.300 -0.020 0.000 1.008 101 V CB 2.945 34.741 31.823 -0.046 0.000 1.064 101 V HN -0.192 nan 8.190 nan 0.000 0.434 102 I N 2.506 123.110 120.570 0.056 0.000 2.404 102 I HA 0.461 4.631 4.170 -0.000 0.000 0.293 102 I C -0.954 175.225 176.117 0.104 0.000 0.992 102 I CA -0.238 61.116 61.300 0.090 0.000 1.149 102 I CB 1.691 39.758 38.000 0.112 0.000 1.315 102 I HN 0.817 nan 8.210 nan 0.000 0.446 103 F N 8.752 128.654 119.950 -0.080 0.000 2.325 103 F HA 0.441 4.968 4.527 0.000 0.000 0.369 103 F C -2.166 173.554 175.800 -0.133 0.000 1.095 103 F CA -2.127 55.792 58.000 -0.134 0.000 1.082 103 F CB 1.437 40.305 39.000 -0.220 0.000 1.289 103 F HN 0.232 nan 8.300 nan 0.000 0.462 104 P HA 0.206 nan 4.420 nan 0.000 0.286 104 P C -0.393 176.954 177.300 0.078 0.000 1.269 104 P CA -0.142 62.995 63.100 0.062 0.000 0.787 104 P CB 2.256 33.936 31.700 -0.033 0.000 0.920 105 I N 3.583 124.118 120.570 -0.059 0.000 3.336 105 I HA 0.088 4.258 4.170 -0.000 0.000 0.323 105 I C -0.745 175.110 176.117 -0.436 0.000 1.520 105 I CA -0.492 60.693 61.300 -0.192 0.000 0.959 105 I CB 0.594 38.475 38.000 -0.199 0.000 1.463 105 I HN -0.071 nan 8.210 nan 0.000 0.571 106 V N 2.836 122.564 119.914 -0.310 0.000 2.370 106 V HA 0.154 4.274 4.120 -0.000 0.000 0.257 106 V C 0.193 176.130 176.094 -0.262 0.000 1.064 106 V CA -0.257 61.867 62.300 -0.293 0.000 0.975 106 V CB -0.567 31.143 31.823 -0.188 0.000 1.067 106 V HN 0.356 nan 8.190 nan 0.000 0.485 107 H N 3.287 122.367 119.070 0.017 0.000 2.707 107 H HA 0.569 5.125 4.556 -0.000 0.000 0.359 107 H C 1.081 176.423 175.328 0.023 0.000 1.113 107 H CA 0.857 56.921 56.048 0.026 0.000 1.422 107 H CB 0.703 30.489 29.762 0.040 0.000 1.443 107 H HN 0.934 nan 8.280 nan 0.000 0.591 108 G N 0.932 109.816 108.800 0.139 0.000 2.528 108 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.262 108 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.262 108 G C 1.300 176.229 174.900 0.050 0.000 1.200 108 G CA 0.196 45.344 45.100 0.080 0.000 0.951 108 G HN 0.632 nan 8.290 nan 0.000 0.566 109 T N 0.536 115.118 114.554 0.046 0.000 2.680 109 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 109 T C 2.417 177.135 174.700 0.030 0.000 1.033 109 T CA 3.092 65.215 62.100 0.038 0.000 1.152 109 T CB -0.280 68.615 68.868 0.045 0.000 0.859 109 T HN 1.265 nan 8.240 nan 0.000 0.452 110 L N 0.059 121.297 121.223 0.024 0.000 2.286 110 L HA 0.494 4.834 4.340 -0.000 0.000 0.203 110 L C 2.461 179.331 176.870 -0.000 0.000 1.068 110 L CA 1.504 56.356 54.840 0.021 0.000 0.811 110 L CB -0.799 41.281 42.059 0.035 0.000 0.989 110 L HN 0.158 nan 8.230 nan 0.000 0.467 111 G N -0.842 107.947 108.800 -0.019 0.000 2.464 111 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.217 111 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.217 111 G C 1.321 176.204 174.900 -0.028 0.000 1.138 111 G CA 0.625 45.698 45.100 -0.044 0.000 0.793 111 G HN 0.514 nan 8.290 nan 0.000 0.539 112 E N 0.116 120.315 120.200 -0.001 0.000 2.498 112 E HA 0.022 4.372 4.350 -0.000 0.000 0.203 112 E C 0.716 177.319 176.600 0.006 0.000 1.013 112 E CA 0.220 56.626 56.400 0.010 0.000 0.927 112 E CB 0.468 30.188 29.700 0.034 0.000 1.012 112 E HN 0.509 nan 8.360 nan 0.000 0.482 113 D N -1.018 119.384 120.400 0.004 0.000 2.368 113 D HA 0.101 4.741 4.640 -0.000 0.000 0.218 113 D C 1.228 177.529 176.300 0.002 0.000 1.112 113 D CA 0.484 54.488 54.000 0.006 0.000 0.834 113 D CB 0.521 41.330 40.800 0.014 0.000 0.953 113 D HN 0.141 nan 8.370 nan 0.000 0.505 114 G N -0.352 108.442 108.800 -0.010 0.000 2.234 114 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.235 114 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.235 114 G C 1.408 176.291 174.900 -0.029 0.000 0.997 114 G CA 0.361 45.451 45.100 -0.016 0.000 0.623 114 G HN 0.320 nan 8.290 nan 0.000 0.514 115 S N -0.138 115.550 115.700 -0.020 0.000 2.345 115 S HA -0.015 4.455 4.470 -0.000 0.000 0.220 115 S C 2.242 176.822 174.600 -0.032 0.000 1.031 115 S CA 1.730 59.921 58.200 -0.016 0.000 0.996 115 S CB -0.203 63.001 63.200 0.007 0.000 0.882 115 S HN 0.839 nan 8.310 nan 0.000 0.445 116 L N 1.733 122.933 121.223 -0.037 0.000 2.083 116 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 116 L C 1.991 178.754 176.870 -0.178 0.000 1.083 116 L CA 1.770 56.584 54.840 -0.044 0.000 0.752 116 L CB -0.723 41.314 42.059 -0.038 0.000 0.899 116 L HN 0.128 nan 8.230 nan 0.000 0.433 117 Q N -0.093 119.555 119.800 -0.253 0.000 2.119 117 Q HA 0.004 4.344 4.340 -0.000 0.000 0.201 117 Q C 2.205 178.051 176.000 -0.257 0.000 0.972 117 Q CA 1.495 57.013 55.803 -0.475 0.000 0.847 117 Q CB -0.960 27.607 28.738 -0.285 0.000 0.903 117 Q HN 0.596 nan 8.270 nan 0.000 0.433 118 G N 0.790 109.522 108.800 -0.113 0.000 2.421 118 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.216 118 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.216 118 G C 1.437 176.302 174.900 -0.058 0.000 1.171 118 G CA 1.033 46.103 45.100 -0.050 0.000 0.775 118 G HN 0.437 nan 8.290 nan 0.000 0.543 119 M N -0.023 119.530 119.600 -0.079 0.000 2.175 119 M HA 0.112 4.592 4.480 -0.000 0.000 0.264 119 M C 2.253 178.505 176.300 -0.081 0.000 1.063 119 M CA 1.342 56.592 55.300 -0.084 0.000 1.119 119 M CB -0.227 32.314 32.600 -0.098 0.000 1.377 119 M HN 0.175 nan 8.290 nan 0.000 0.415 120 L N -0.258 120.895 121.223 -0.117 0.000 2.141 120 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 120 L C 2.792 179.696 176.870 0.057 0.000 1.094 120 L CA 0.842 55.634 54.840 -0.079 0.000 0.763 120 L CB -0.715 41.168 42.059 -0.293 0.000 0.908 120 L HN 0.351 nan 8.230 nan 0.000 0.437 121 R N -0.246 120.295 120.500 0.068 0.000 2.075 121 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 121 R C 2.273 178.606 176.300 0.055 0.000 1.126 121 R CA 1.131 57.314 56.100 0.138 0.000 0.963 121 R CB -0.450 29.924 30.300 0.124 0.000 0.858 121 R HN 0.213 nan 8.270 nan 0.000 0.435 122 V N 1.169 121.085 119.914 0.004 0.000 2.332 122 V HA -0.229 3.890 4.120 -0.000 0.000 0.248 122 V C 2.318 178.379 176.094 -0.053 0.000 1.055 122 V CA 1.950 64.233 62.300 -0.028 0.000 1.038 122 V CB -0.707 31.089 31.823 -0.045 0.000 0.651 122 V HN 0.362 nan 8.190 nan 0.000 0.450 123 A N -0.246 122.547 122.820 -0.046 0.000 2.248 123 A HA -0.101 4.219 4.320 -0.000 0.000 0.210 123 A C 1.021 178.566 177.584 -0.064 0.000 1.174 123 A CA 0.920 52.921 52.037 -0.061 0.000 0.750 123 A CB -0.979 17.997 19.000 -0.039 0.000 0.780 123 A HN 0.784 nan 8.150 nan 0.000 0.478 124 N N -1.815 116.874 118.700 -0.019 0.000 2.696 124 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 124 N C -0.675 174.908 175.510 0.120 0.000 1.090 124 N CA 0.693 53.784 53.050 0.068 0.000 0.716 124 N CB -1.528 36.906 38.487 -0.087 0.000 1.020 124 N HN 0.555 nan 8.380 nan 0.000 0.548 125 L N 0.254 121.540 121.223 0.106 0.000 2.292 125 L HA 0.458 4.798 4.340 -0.000 0.000 0.284 125 L C -1.822 175.058 176.870 0.017 0.000 1.065 125 L CA -1.904 52.958 54.840 0.036 0.000 0.806 125 L CB 0.887 42.989 42.059 0.072 0.000 1.175 125 L HN -0.164 nan 8.230 nan 0.000 0.431 126 P HA 0.118 nan 4.420 nan 0.000 0.269 126 P C -1.163 176.152 177.300 0.025 0.000 1.209 126 P CA 0.111 63.047 63.100 -0.273 0.000 0.776 126 P CB 0.364 31.801 31.700 -0.439 0.000 0.876 127 F N 0.120 120.028 119.950 -0.071 0.000 2.608 127 F HA 0.541 5.068 4.527 -0.000 0.000 0.309 127 F C -0.743 174.978 175.800 -0.132 0.000 1.103 127 F CA -1.814 56.133 58.000 -0.087 0.000 0.954 127 F CB 0.575 39.546 39.000 -0.049 0.000 1.267 127 F HN 0.224 nan 8.300 nan 0.000 0.444 128 V N 3.204 123.101 119.914 -0.028 0.000 2.715 128 V HA 0.804 4.924 4.120 -0.000 0.000 0.299 128 V C 0.408 176.481 176.094 -0.036 0.000 1.054 128 V CA 0.926 63.092 62.300 -0.223 0.000 1.077 128 V CB 0.333 31.753 31.823 -0.671 0.000 0.972 128 V HN 2.353 nan 8.190 nan 0.000 0.484 129 G N 4.156 112.897 108.800 -0.099 0.000 2.610 129 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.304 129 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.304 129 G C -0.221 174.716 174.900 0.061 0.000 1.309 129 G CA -0.291 44.801 45.100 -0.013 0.000 0.906 129 G HN 1.495 nan 8.290 nan 0.000 0.521 130 S N 0.332 116.072 115.700 0.066 0.000 2.592 130 S HA 0.469 4.939 4.470 -0.000 0.000 0.271 130 S C 0.580 175.293 174.600 0.188 0.000 1.326 130 S CA -0.124 58.106 58.200 0.049 0.000 1.024 130 S CB 1.387 64.576 63.200 -0.018 0.000 0.921 130 S HN 0.690 nan 8.310 nan 0.000 0.527 131 D N 0.204 120.690 120.400 0.144 0.000 2.469 131 D HA 0.213 4.853 4.640 -0.000 0.000 0.278 131 D C 1.554 177.934 176.300 0.134 0.000 1.231 131 D CA -0.422 53.725 54.000 0.246 0.000 1.075 131 D CB 0.888 41.777 40.800 0.149 0.000 1.121 131 D HN 0.196 nan 8.370 nan 0.000 0.571 132 V N 0.436 120.421 119.914 0.119 0.000 2.233 132 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 132 V C 2.402 178.514 176.094 0.030 0.000 1.050 132 V CA 1.648 63.979 62.300 0.052 0.000 1.010 132 V CB -0.586 31.264 31.823 0.045 0.000 0.637 132 V HN 0.462 nan 8.190 nan 0.000 0.444 133 L N 0.142 121.381 121.223 0.027 0.000 2.005 133 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 133 L C 2.642 179.513 176.870 0.002 0.000 1.072 133 L CA 2.517 57.365 54.840 0.013 0.000 0.744 133 L CB -1.045 41.020 42.059 0.011 0.000 0.895 133 L HN 0.329 nan 8.230 nan 0.000 0.433 134 S N -1.082 114.613 115.700 -0.008 0.000 2.374 134 S HA -0.218 4.252 4.470 -0.000 0.000 0.227 134 S C 2.071 176.658 174.600 -0.022 0.000 1.037 134 S CA 1.802 59.983 58.200 -0.032 0.000 1.024 134 S CB -0.477 62.684 63.200 -0.065 0.000 0.861 134 S HN 0.689 nan 8.310 nan 0.000 0.456 135 S N 1.217 116.915 115.700 -0.003 0.000 2.368 135 S HA 0.053 4.523 4.470 -0.000 0.000 0.224 135 S C 2.205 176.805 174.600 -0.001 0.000 1.029 135 S CA 1.053 59.253 58.200 -0.001 0.000 0.988 135 S CB -0.624 62.580 63.200 0.006 0.000 0.838 135 S HN 0.715 nan 8.310 nan 0.000 0.462 136 A N 1.425 124.247 122.820 0.003 0.000 1.929 136 A HA 0.295 4.615 4.320 -0.000 0.000 0.216 136 A C 2.320 179.906 177.584 0.003 0.000 1.176 136 A CA 1.392 53.433 52.037 0.006 0.000 0.628 136 A CB -0.941 18.066 19.000 0.011 0.000 0.816 136 A HN 0.484 nan 8.150 nan 0.000 0.444 137 A N -0.748 122.071 122.820 -0.002 0.000 1.877 137 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 137 A C 2.267 179.841 177.584 -0.015 0.000 1.186 137 A CA 1.688 53.721 52.037 -0.006 0.000 0.620 137 A CB -1.313 17.681 19.000 -0.009 0.000 0.822 137 A HN 0.586 nan 8.150 nan 0.000 0.443 138 C N -1.464 117.824 119.300 -0.020 0.000 2.422 138 C HA -0.080 4.380 4.460 -0.000 0.000 0.279 138 C C 2.702 177.680 174.990 -0.021 0.000 1.305 138 C CA 1.572 60.575 59.018 -0.024 0.000 1.757 138 C CB -1.109 26.617 27.740 -0.023 0.000 1.962 138 C HN 0.740 nan 8.230 nan 0.000 0.499 139 M N 0.859 120.451 119.600 -0.012 0.000 2.349 139 M HA 0.116 4.596 4.480 -0.000 0.000 0.266 139 M C 0.527 176.819 176.300 -0.013 0.000 1.076 139 M CA 1.438 56.733 55.300 -0.008 0.000 1.126 139 M CB -0.386 32.216 32.600 0.002 0.000 1.392 139 M HN 0.124 nan 8.290 nan 0.000 0.440 140 D N 0.982 121.375 120.400 -0.011 0.000 2.411 140 D HA 0.098 4.738 4.640 -0.000 0.000 0.225 140 D C 0.353 176.632 176.300 -0.035 0.000 1.156 140 D CA 0.130 54.123 54.000 -0.012 0.000 0.874 140 D CB 0.605 41.409 40.800 0.007 0.000 1.034 140 D HN 0.324 nan 8.370 nan 0.000 0.502 141 K N 2.324 122.690 120.400 -0.055 0.000 2.209 141 K HA -0.176 4.144 4.320 -0.000 0.000 0.204 141 K C 1.246 177.758 176.600 -0.147 0.000 1.048 141 K CA 1.164 57.389 56.287 -0.103 0.000 0.940 141 K CB 0.222 32.654 32.500 -0.113 0.000 0.729 141 K HN 0.403 nan 8.250 nan 0.000 0.451 142 D N 0.679 121.028 120.400 -0.085 0.000 2.084 142 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 142 D C 1.849 178.144 176.300 -0.008 0.000 0.985 142 D CA 1.274 55.247 54.000 -0.046 0.000 0.826 142 D CB 0.012 40.845 40.800 0.055 0.000 0.978 142 D HN -0.007 nan 8.370 nan 0.000 0.456 143 V N 0.253 120.172 119.914 0.009 0.000 2.343 143 V HA -0.131 3.989 4.120 -0.000 0.000 0.247 143 V C 2.257 178.350 176.094 -0.002 0.000 1.051 143 V CA 2.296 64.609 62.300 0.022 0.000 1.036 143 V CB -1.065 30.775 31.823 0.029 0.000 0.654 143 V HN 0.286 nan 8.190 nan 0.000 0.451 144 A N 0.229 123.028 122.820 -0.035 0.000 1.892 144 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 144 A C 2.302 179.849 177.584 -0.061 0.000 1.188 144 A CA 2.460 54.469 52.037 -0.046 0.000 0.631 144 A CB -0.692 18.270 19.000 -0.062 0.000 0.822 144 A HN 0.665 nan 8.150 nan 0.000 0.447 145 K N -0.973 119.345 120.400 -0.137 0.000 2.155 145 K HA -0.029 4.291 4.320 -0.000 0.000 0.203 145 K C 2.329 178.933 176.600 0.005 0.000 1.052 145 K CA 1.042 57.215 56.287 -0.190 0.000 0.948 145 K CB -0.119 31.997 32.500 -0.640 0.000 0.728 145 K HN 0.380 nan 8.250 nan 0.000 0.448 146 R N 0.582 121.132 120.500 0.084 0.000 2.075 146 R HA -0.037 4.303 4.340 -0.000 0.000 0.232 146 R C 2.272 178.633 176.300 0.102 0.000 1.126 146 R CA 1.025 57.236 56.100 0.185 0.000 0.963 146 R CB -0.297 30.110 30.300 0.178 0.000 0.858 146 R HN 0.150 nan 8.270 nan 0.000 0.435 147 L N 0.574 121.832 121.223 0.058 0.000 2.056 147 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 147 L C 2.353 179.248 176.870 0.041 0.000 1.078 147 L CA 1.193 56.058 54.840 0.042 0.000 0.749 147 L CB -0.404 41.669 42.059 0.023 0.000 0.901 147 L HN 0.179 nan 8.230 nan 0.000 0.433 148 L N -0.521 120.722 121.223 0.033 0.000 2.083 148 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 148 L C 2.813 179.716 176.870 0.055 0.000 1.083 148 L CA 1.161 56.021 54.840 0.033 0.000 0.752 148 L CB -0.506 41.562 42.059 0.014 0.000 0.899 148 L HN 0.262 nan 8.230 nan 0.000 0.433 149 R N 0.551 121.102 120.500 0.084 0.000 2.075 149 R HA -0.220 4.120 4.340 -0.000 0.000 0.232 149 R C 1.930 178.276 176.300 0.076 0.000 1.126 149 R CA 2.073 58.236 56.100 0.105 0.000 0.963 149 R CB -0.266 30.140 30.300 0.176 0.000 0.858 149 R HN 0.345 nan 8.270 nan 0.000 0.435 150 D N -0.156 120.286 120.400 0.071 0.000 2.178 150 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 150 D C 1.462 177.788 176.300 0.043 0.000 0.980 150 D CA 1.237 55.269 54.000 0.053 0.000 0.842 150 D CB 0.037 40.867 40.800 0.050 0.000 0.948 150 D HN 0.410 nan 8.370 nan 0.000 0.472 151 A N -0.613 122.232 122.820 0.042 0.000 2.235 151 A HA 0.367 4.687 4.320 -0.000 0.000 0.208 151 A C 1.834 179.440 177.584 0.036 0.000 1.172 151 A CA 0.913 52.971 52.037 0.036 0.000 0.786 151 A CB -0.724 18.297 19.000 0.035 0.000 0.804 151 A HN 0.498 nan 8.150 nan 0.000 0.479 152 G N -1.298 107.527 108.800 0.041 0.000 2.147 152 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 152 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 152 G C 0.000 174.924 174.900 0.039 0.000 1.005 152 G CA 0.391 45.514 45.100 0.038 0.000 0.713 152 G HN 0.448 nan 8.290 nan 0.000 0.515 153 L N 0.043 121.291 121.223 0.042 0.000 2.379 153 L HA 0.428 4.768 4.340 -0.000 0.000 0.269 153 L C 0.304 177.202 176.870 0.046 0.000 1.084 153 L CA -1.226 53.638 54.840 0.039 0.000 0.802 153 L CB 0.740 42.820 42.059 0.034 0.000 1.175 153 L HN 0.009 nan 8.230 nan 0.000 0.448 154 N N 3.341 122.067 118.700 0.044 0.000 2.442 154 N HA 0.382 5.122 4.740 -0.000 0.000 0.265 154 N C -0.584 174.962 175.510 0.060 0.000 1.138 154 N CA 0.023 53.106 53.050 0.055 0.000 0.956 154 N CB 0.934 39.452 38.487 0.053 0.000 1.067 154 N HN 0.456 nan 8.380 nan 0.000 0.474 155 I N -2.079 118.539 120.570 0.079 0.000 3.042 155 I HA 0.725 4.895 4.170 -0.000 0.000 0.310 155 I C -0.136 176.054 176.117 0.122 0.000 1.117 155 I CA -1.571 59.777 61.300 0.081 0.000 1.003 155 I CB 1.789 39.819 38.000 0.051 0.000 1.228 155 I HN 0.246 nan 8.210 nan 0.000 0.443 156 A N 3.227 126.125 122.820 0.130 0.000 2.488 156 A HA 0.533 4.853 4.320 -0.000 0.000 0.249 156 A C -2.394 175.327 177.584 0.230 0.000 1.083 156 A CA -1.025 51.101 52.037 0.148 0.000 0.768 156 A CB -0.901 18.179 19.000 0.133 0.000 1.017 156 A HN 0.577 nan 8.150 nan 0.000 0.496 157 P HA 0.368 nan 4.420 nan 0.000 0.268 157 P C -0.607 176.862 177.300 0.282 0.000 1.208 157 P CA 0.546 63.770 63.100 0.207 0.000 0.777 157 P CB 0.187 31.939 31.700 0.086 0.000 0.875 158 F N 0.986 120.942 119.950 0.009 0.000 2.719 158 F HA 0.728 5.255 4.527 -0.000 0.000 0.309 158 F C -1.777 174.001 175.800 -0.037 0.000 1.138 158 F CA -1.498 56.500 58.000 -0.004 0.000 0.943 158 F CB 0.779 39.784 39.000 0.008 0.000 1.304 158 F HN 0.229 nan 8.300 nan 0.000 0.445 159 I N 0.808 121.348 120.570 -0.049 0.000 2.892 159 I HA 0.878 5.048 4.170 -0.000 0.000 0.306 159 I C -0.920 175.205 176.117 0.013 0.000 1.078 159 I CA -0.560 60.608 61.300 -0.220 0.000 1.032 159 I CB 2.609 40.350 38.000 -0.431 0.000 1.229 159 I HN 0.839 nan 8.210 nan 0.000 0.435 160 T N 4.201 118.748 114.554 -0.012 0.000 2.786 160 T HA 0.677 5.027 4.350 -0.000 0.000 0.283 160 T C -0.368 174.333 174.700 0.002 0.000 0.992 160 T CA -0.611 61.529 62.100 0.066 0.000 0.954 160 T CB 0.709 69.686 68.868 0.182 0.000 0.934 160 T HN 0.646 nan 8.240 nan 0.000 0.440 161 L N 3.773 125.005 121.223 0.015 0.000 2.350 161 L HA 0.630 4.970 4.340 -0.000 0.000 0.275 161 L C 1.059 178.101 176.870 0.287 0.000 1.099 161 L CA -0.694 54.230 54.840 0.141 0.000 0.808 161 L CB 1.340 43.515 42.059 0.193 0.000 1.149 161 L HN 0.958 nan 8.230 nan 0.000 0.442 162 T N -1.760 112.998 114.554 0.340 0.000 2.926 162 T HA 0.409 4.759 4.350 -0.000 0.000 0.289 162 T C 1.050 175.897 174.700 0.244 0.000 1.054 162 T CA -0.984 61.325 62.100 0.349 0.000 1.015 162 T CB 1.741 70.733 68.868 0.206 0.000 1.167 162 T HN 0.395 nan 8.240 nan 0.000 0.526 163 R N 0.525 121.089 120.500 0.106 0.000 2.139 163 R HA -0.077 4.263 4.340 -0.000 0.000 0.243 163 R C 2.384 178.665 176.300 -0.031 0.000 1.145 163 R CA 2.094 58.127 56.100 -0.112 0.000 0.976 163 R CB -1.293 28.956 30.300 -0.085 0.000 0.866 163 R HN 0.953 nan 8.270 nan 0.000 0.449 164 T N -1.399 113.180 114.554 0.041 0.000 3.065 164 T HA -0.016 4.334 4.350 -0.000 0.000 0.252 164 T C 1.132 175.885 174.700 0.089 0.000 1.099 164 T CA 0.599 62.731 62.100 0.053 0.000 1.063 164 T CB -0.059 68.836 68.868 0.045 0.000 0.948 164 T HN 0.213 nan 8.240 nan 0.000 0.506 165 N N 0.779 119.560 118.700 0.136 0.000 2.205 165 N HA 0.134 4.874 4.740 -0.000 0.000 0.201 165 N C 1.513 177.177 175.510 0.255 0.000 1.128 165 N CA -0.331 52.839 53.050 0.199 0.000 0.867 165 N CB -0.405 38.252 38.487 0.284 0.000 0.996 165 N HN 0.340 nan 8.380 nan 0.000 0.503 166 R N 0.064 120.651 120.500 0.146 0.000 2.119 166 R HA -0.160 4.180 4.340 -0.000 0.000 0.246 166 R C 0.599 176.899 176.300 0.000 0.000 1.146 166 R CA 1.907 58.031 56.100 0.040 0.000 0.962 166 R CB -0.252 29.880 30.300 -0.280 0.000 0.863 166 R HN 0.470 nan 8.270 nan 0.000 0.442 167 H N -1.820 117.354 119.070 0.175 0.000 2.586 167 H HA 0.278 4.834 4.556 -0.000 0.000 0.273 167 H C 1.135 176.521 175.328 0.098 0.000 0.997 167 H CA 0.319 56.455 56.048 0.146 0.000 1.177 167 H CB 0.882 30.694 29.762 0.083 0.000 1.471 167 H HN 0.309 nan 8.280 nan 0.000 0.538 168 A N 0.275 123.173 122.820 0.131 0.000 2.239 168 A HA 0.019 4.339 4.320 -0.000 0.000 0.209 168 A C -0.181 177.202 177.584 -0.336 0.000 1.171 168 A CA 0.474 52.448 52.037 -0.106 0.000 0.768 168 A CB -0.462 18.416 19.000 -0.203 0.000 0.790 168 A HN 0.195 nan 8.150 nan 0.000 0.478 169 F N 0.867 120.889 119.950 0.120 0.000 2.359 169 F HA 0.316 4.843 4.527 -0.000 0.000 0.369 169 F C 0.955 176.847 175.800 0.153 0.000 1.084 169 F CA -0.575 57.493 58.000 0.114 0.000 1.096 169 F CB 1.152 40.228 39.000 0.127 0.000 1.335 169 F HN 0.121 nan 8.300 nan 0.000 0.457 170 S N 2.623 118.454 115.700 0.219 0.000 2.589 170 S HA 0.071 4.541 4.470 -0.000 0.000 0.265 170 S C 1.151 175.847 174.600 0.159 0.000 1.342 170 S CA -0.494 57.835 58.200 0.214 0.000 1.005 170 S CB 0.532 63.812 63.200 0.134 0.000 0.909 170 S HN 0.583 nan 8.310 nan 0.000 0.555 171 F N 2.320 122.255 119.950 -0.026 0.000 2.134 171 F HA 0.016 4.543 4.527 -0.000 0.000 0.299 171 F C 2.407 178.108 175.800 -0.166 0.000 1.097 171 F CA 1.752 59.583 58.000 -0.283 0.000 1.264 171 F CB -1.114 37.759 39.000 -0.212 0.000 1.001 171 F HN 0.775 nan 8.300 nan 0.000 0.479 172 A N 0.192 122.978 122.820 -0.058 0.000 1.884 172 A HA -0.348 3.972 4.320 -0.000 0.000 0.219 172 A C 2.254 179.704 177.584 -0.225 0.000 1.197 172 A CA 2.246 54.186 52.037 -0.162 0.000 0.637 172 A CB -1.303 17.699 19.000 0.003 0.000 0.827 172 A HN 0.622 nan 8.150 nan 0.000 0.450 173 E N -0.631 119.503 120.200 -0.110 0.000 2.110 173 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 173 E C 1.883 178.442 176.600 -0.068 0.000 0.988 173 E CA 1.224 57.591 56.400 -0.055 0.000 0.804 173 E CB -0.112 29.602 29.700 0.024 0.000 0.745 173 E HN 0.339 nan 8.360 nan 0.000 0.458 174 V N 1.257 121.087 119.914 -0.139 0.000 2.343 174 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 174 V C 2.376 178.293 176.094 -0.295 0.000 1.051 174 V CA 2.078 64.265 62.300 -0.189 0.000 1.036 174 V CB -0.484 31.152 31.823 -0.312 0.000 0.654 174 V HN 0.349 nan 8.190 nan 0.000 0.451 175 E N -0.037 119.847 120.200 -0.527 0.000 2.077 175 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 175 E C 2.470 178.915 176.600 -0.258 0.000 0.989 175 E CA 1.576 57.677 56.400 -0.499 0.000 0.800 175 E CB -0.151 29.073 29.700 -0.793 0.000 0.746 175 E HN 0.576 nan 8.360 nan 0.000 0.452 176 S N 0.349 115.924 115.700 -0.208 0.000 2.359 176 S HA -0.199 4.271 4.470 -0.000 0.000 0.224 176 S C 2.061 176.613 174.600 -0.080 0.000 1.035 176 S CA 1.374 59.504 58.200 -0.115 0.000 1.018 176 S CB -0.199 62.950 63.200 -0.086 0.000 0.876 176 S HN 0.217 nan 8.310 nan 0.000 0.448 177 R N -0.431 120.026 120.500 -0.072 0.000 2.148 177 R HA 0.200 4.540 4.340 -0.000 0.000 0.223 177 R C 1.706 177.978 176.300 -0.046 0.000 1.088 177 R CA 1.312 57.387 56.100 -0.041 0.000 0.985 177 R CB -0.025 30.268 30.300 -0.012 0.000 0.880 177 R HN 0.467 nan 8.270 nan 0.000 0.451 178 L N -2.380 118.802 121.223 -0.067 0.000 2.854 178 L HA 0.320 4.660 4.340 -0.000 0.000 0.249 178 L C 0.764 177.609 176.870 -0.040 0.000 1.091 178 L CA 0.198 55.014 54.840 -0.040 0.000 0.935 178 L CB 0.927 42.969 42.059 -0.029 0.000 1.367 178 L HN 0.331 nan 8.230 nan 0.000 0.524 179 G N 1.162 109.914 108.800 -0.079 0.000 2.660 179 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.247 179 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.247 179 G C -1.152 173.714 174.900 -0.056 0.000 1.328 179 G CA -0.708 44.354 45.100 -0.063 0.000 0.884 179 G HN 0.002 nan 8.290 nan 0.000 0.531 180 L N 1.265 122.473 121.223 -0.025 0.000 2.354 180 L HA 0.654 4.994 4.340 -0.000 0.000 0.264 180 L C -1.391 175.486 176.870 0.012 0.000 1.008 180 L CA -1.801 53.041 54.840 0.003 0.000 0.819 180 L CB 2.255 44.331 42.059 0.028 0.000 1.339 180 L HN 0.746 nan 8.230 nan 0.000 0.420 181 P HA 0.458 nan 4.420 nan 0.000 0.279 181 P C -1.294 176.007 177.300 0.003 0.000 1.282 181 P CA -0.476 62.615 63.100 -0.015 0.000 0.788 181 P CB 1.189 32.839 31.700 -0.083 0.000 1.139 182 L N -1.159 120.036 121.223 -0.047 0.000 2.301 182 L HA 0.535 4.875 4.340 -0.000 0.000 0.264 182 L C -0.500 176.277 176.870 -0.155 0.000 1.016 182 L CA -0.862 53.997 54.840 0.031 0.000 0.821 182 L CB 1.450 43.571 42.059 0.102 0.000 1.346 182 L HN 0.249 nan 8.230 nan 0.000 0.429 183 F N 0.411 120.405 119.950 0.072 0.000 2.520 183 F HA 0.593 5.120 4.527 -0.000 0.000 0.322 183 F C -0.349 175.491 175.800 0.065 0.000 1.103 183 F CA -0.758 57.278 58.000 0.060 0.000 0.926 183 F CB 2.203 41.228 39.000 0.042 0.000 1.154 183 F HN -0.099 nan 8.300 nan 0.000 0.453 184 V N 3.782 123.796 119.914 0.167 0.000 2.487 184 V HA 0.565 4.685 4.120 -0.000 0.000 0.298 184 V C -0.832 175.294 176.094 0.053 0.000 1.028 184 V CA -1.002 61.349 62.300 0.086 0.000 0.860 184 V CB 1.760 33.596 31.823 0.021 0.000 0.991 184 V HN 0.749 nan 8.190 nan 0.000 0.427 185 K N 4.140 124.547 120.400 0.011 0.000 2.502 185 K HA 0.690 5.010 4.320 -0.000 0.000 0.257 185 K C -3.306 173.249 176.600 -0.076 0.000 0.938 185 K CA -2.120 54.153 56.287 -0.023 0.000 0.819 185 K CB 2.578 35.078 32.500 0.001 0.000 1.333 185 K HN 0.285 nan 8.250 nan 0.000 0.434 186 P HA -0.044 nan 4.420 nan 0.000 0.268 186 P C 0.223 177.483 177.300 -0.067 0.000 1.205 186 P CA -0.021 63.029 63.100 -0.084 0.000 0.771 186 P CB 0.926 32.616 31.700 -0.017 0.000 0.858 187 A N 3.389 126.171 122.820 -0.063 0.000 1.930 187 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 187 A C 0.637 178.202 177.584 -0.030 0.000 1.175 187 A CA 1.429 53.441 52.037 -0.042 0.000 0.627 187 A CB -0.983 18.007 19.000 -0.016 0.000 0.815 187 A HN 0.676 nan 8.150 nan 0.000 0.443 188 N N -1.227 117.462 118.700 -0.018 0.000 2.626 188 N HA 0.444 5.184 4.740 -0.000 0.000 0.249 188 N C -0.108 175.398 175.510 -0.006 0.000 1.021 188 N CA -0.246 52.799 53.050 -0.008 0.000 0.886 188 N CB 1.557 40.048 38.487 0.007 0.000 1.149 188 N HN 0.373 nan 8.380 nan 0.000 0.517 189 Q N 1.850 121.638 119.800 -0.021 0.000 1.812 189 Q HA 0.431 4.771 4.340 -0.000 0.000 0.150 189 Q C -0.464 175.519 176.000 -0.028 0.000 0.480 189 Q CA 0.921 56.708 55.803 -0.027 0.000 0.762 189 Q CB 0.089 28.779 28.738 -0.080 0.000 0.920 189 Q HN 0.507 nan 8.270 nan 0.000 0.287 190 G N 0.852 109.623 108.800 -0.048 0.000 3.000 190 G HA2 0.087 4.047 3.960 -0.000 0.000 0.686 190 G HA3 0.087 4.047 3.960 -0.000 0.000 0.686 190 G C -0.466 174.397 174.900 -0.062 0.000 1.114 190 G CA 0.289 45.364 45.100 -0.042 0.000 0.902 190 G HN 1.167 nan 8.290 nan 0.000 0.564 191 S N 0.616 116.274 115.700 -0.071 0.000 2.680 191 S HA 0.676 5.146 4.470 -0.000 0.000 0.262 191 S C 0.692 175.262 174.600 -0.050 0.000 1.138 191 S CA 0.482 58.654 58.200 -0.047 0.000 1.072 191 S CB 1.567 64.752 63.200 -0.024 0.000 1.097 191 S HN 2.214 nan 8.310 nan 0.000 0.468 192 S N 0.104 115.777 115.700 -0.044 0.000 3.123 192 S HA -0.194 4.276 4.470 -0.000 0.000 0.330 192 S C 0.467 175.012 174.600 -0.091 0.000 1.248 192 S CA 1.292 59.470 58.200 -0.037 0.000 1.000 192 S CB -1.803 61.400 63.200 0.004 0.000 1.049 192 S HN 1.833 nan 8.310 nan 0.000 0.658 193 V N 0.677 120.489 119.914 -0.169 0.000 2.644 193 V HA 0.768 4.888 4.120 -0.000 0.000 0.295 193 V C 0.815 176.610 176.094 -0.497 0.000 1.053 193 V CA -0.009 62.090 62.300 -0.336 0.000 0.987 193 V CB 1.497 33.073 31.823 -0.411 0.000 1.006 193 V HN 0.359 nan 8.190 nan 0.000 0.472 194 G N 5.571 113.972 108.800 -0.665 0.000 2.588 194 G HA2 0.414 4.374 3.960 -0.000 0.000 0.297 194 G HA3 0.414 4.374 3.960 -0.000 0.000 0.297 194 G C -0.271 174.556 174.900 -0.121 0.000 0.874 194 G CA -0.176 44.750 45.100 -0.290 0.000 1.607 194 G HN 0.908 nan 8.290 nan 0.000 0.486 195 V N 2.266 122.138 119.914 -0.072 0.000 2.530 195 V HA 0.423 4.543 4.120 -0.000 0.000 0.282 195 V C 0.399 176.526 176.094 0.056 0.000 1.048 195 V CA -0.133 62.181 62.300 0.022 0.000 0.997 195 V CB 1.207 33.064 31.823 0.057 0.000 0.987 195 V HN 0.631 nan 8.190 nan 0.000 0.477 196 S N 3.871 119.609 115.700 0.065 0.000 2.548 196 S HA 0.523 4.993 4.470 -0.000 0.000 0.286 196 S C -0.569 173.982 174.600 -0.082 0.000 1.098 196 S CA -0.890 57.317 58.200 0.013 0.000 0.930 196 S CB 1.870 65.062 63.200 -0.012 0.000 1.070 196 S HN 0.744 nan 8.310 nan 0.000 0.480 197 K N 1.934 122.201 120.400 -0.221 0.000 2.183 197 K HA 0.625 4.945 4.320 -0.000 0.000 0.274 197 K C -1.403 175.014 176.600 -0.306 0.000 1.009 197 K CA -0.404 55.525 56.287 -0.596 0.000 0.888 197 K CB 0.682 32.829 32.500 -0.588 0.000 1.078 197 K HN 0.399 nan 8.250 nan 0.000 0.459 198 V N 3.467 123.219 119.914 -0.269 0.000 2.540 198 V HA 0.483 4.603 4.120 -0.000 0.000 0.302 198 V C 0.136 176.217 176.094 -0.022 0.000 1.035 198 V CA -0.382 61.883 62.300 -0.059 0.000 0.873 198 V CB 1.476 33.364 31.823 0.108 0.000 0.992 198 V HN 1.017 nan 8.190 nan 0.000 0.428 199 A N 4.241 127.065 122.820 0.007 0.000 2.312 199 A HA 0.456 4.776 4.320 -0.000 0.000 0.215 199 A C 0.456 178.087 177.584 0.078 0.000 1.256 199 A CA 0.524 52.580 52.037 0.032 0.000 0.966 199 A CB 0.075 19.069 19.000 -0.010 0.000 1.053 199 A HN 0.956 nan 8.150 nan 0.000 0.510 200 N N -2.122 116.574 118.700 -0.007 0.000 2.934 200 N HA 0.200 4.940 4.740 -0.000 0.000 0.253 200 N C 0.123 175.225 175.510 -0.681 0.000 1.466 200 N CA -0.119 52.815 53.050 -0.194 0.000 0.858 200 N CB 0.398 38.806 38.487 -0.131 0.000 1.459 200 N HN -0.064 nan 8.380 nan 0.000 0.532 201 E N -0.454 119.070 120.200 -1.127 0.000 2.058 201 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 201 E C 1.581 177.950 176.600 -0.385 0.000 0.997 201 E CA 1.728 57.415 56.400 -1.188 0.000 0.801 201 E CB -0.295 28.955 29.700 -0.751 0.000 0.746 201 E HN 0.637 nan 8.360 nan 0.000 0.450 202 A N 0.635 123.317 122.820 -0.230 0.000 1.969 202 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 202 A C 2.010 179.556 177.584 -0.064 0.000 1.169 202 A CA 1.307 53.284 52.037 -0.100 0.000 0.635 202 A CB -0.373 18.585 19.000 -0.071 0.000 0.810 202 A HN 0.303 nan 8.150 nan 0.000 0.445 203 Q N -2.022 117.733 119.800 -0.075 0.000 2.119 203 Q HA -0.182 4.158 4.340 -0.000 0.000 0.201 203 Q C 1.975 177.983 176.000 0.013 0.000 0.972 203 Q CA 1.607 57.392 55.803 -0.030 0.000 0.847 203 Q CB -0.335 28.384 28.738 -0.032 0.000 0.903 203 Q HN 0.827 nan 8.270 nan 0.000 0.433 204 Y N 1.804 122.050 120.300 -0.090 0.000 2.070 204 Y HA -0.332 4.218 4.550 -0.000 0.000 0.280 204 Y C 2.473 178.393 175.900 0.034 0.000 1.148 204 Y CA 2.172 60.275 58.100 0.005 0.000 1.125 204 Y CB -0.267 38.230 38.460 0.061 0.000 0.975 204 Y HN 0.041 nan 8.280 nan 0.000 0.492 205 Q N 0.266 120.052 119.800 -0.023 0.000 2.167 205 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 205 Q C 2.240 178.191 176.000 -0.081 0.000 0.970 205 Q CA 1.998 57.756 55.803 -0.075 0.000 0.855 205 Q CB -0.413 28.366 28.738 0.069 0.000 0.911 205 Q HN 0.623 nan 8.270 nan 0.000 0.438 206 Q N -0.673 119.097 119.800 -0.049 0.000 2.083 206 Q HA 0.046 4.386 4.340 -0.000 0.000 0.198 206 Q C 1.820 177.800 176.000 -0.034 0.000 0.969 206 Q CA 1.798 57.587 55.803 -0.024 0.000 0.838 206 Q CB -0.575 28.156 28.738 -0.012 0.000 0.900 206 Q HN 0.387 nan 8.270 nan 0.000 0.436 207 A N -0.446 122.333 122.820 -0.069 0.000 1.877 207 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 207 A C 2.272 179.799 177.584 -0.095 0.000 1.186 207 A CA 1.696 53.695 52.037 -0.065 0.000 0.620 207 A CB -0.975 17.989 19.000 -0.058 0.000 0.822 207 A HN 0.273 nan 8.150 nan 0.000 0.443 208 V N -0.086 119.702 119.914 -0.210 0.000 2.255 208 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 208 V C 3.086 179.210 176.094 0.049 0.000 1.051 208 V CA 2.114 64.313 62.300 -0.167 0.000 1.018 208 V CB -1.333 30.321 31.823 -0.282 0.000 0.641 208 V HN 0.637 nan 8.190 nan 0.000 0.445 209 A N -0.255 122.603 122.820 0.063 0.000 1.883 209 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 209 A C 2.186 179.848 177.584 0.130 0.000 1.186 209 A CA 2.268 54.384 52.037 0.132 0.000 0.624 209 A CB -0.694 18.351 19.000 0.075 0.000 0.822 209 A HN 0.452 nan 8.150 nan 0.000 0.444 210 L N -0.173 121.106 121.223 0.093 0.000 2.012 210 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 210 L C 2.717 179.724 176.870 0.228 0.000 1.073 210 L CA 2.445 57.374 54.840 0.149 0.000 0.748 210 L CB -0.845 41.294 42.059 0.133 0.000 0.891 210 L HN 0.366 nan 8.230 nan 0.000 0.431 211 A N -1.186 121.703 122.820 0.114 0.000 1.902 211 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 211 A C 2.195 179.801 177.584 0.037 0.000 1.181 211 A CA 1.849 53.925 52.037 0.064 0.000 0.623 211 A CB -1.243 17.678 19.000 -0.131 0.000 0.818 211 A HN 0.503 nan 8.150 nan 0.000 0.443 212 F N 0.311 120.301 119.950 0.067 0.000 2.494 212 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 212 F C 2.210 177.997 175.800 -0.022 0.000 1.106 212 F CA 1.171 59.189 58.000 0.030 0.000 1.452 212 F CB 0.001 39.010 39.000 0.016 0.000 1.085 212 F HN 0.367 nan 8.300 nan 0.000 0.569 213 E N -0.911 119.338 120.200 0.082 0.000 2.285 213 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 213 E C 1.303 177.648 176.600 -0.425 0.000 0.997 213 E CA 0.702 56.977 56.400 -0.209 0.000 0.845 213 E CB -0.051 29.411 29.700 -0.397 0.000 0.782 213 E HN 0.420 nan 8.360 nan 0.000 0.491 214 F N 0.099 120.046 119.950 -0.004 0.000 2.714 214 F HA 0.217 4.744 4.527 -0.000 0.000 0.294 214 F C 0.629 176.372 175.800 -0.095 0.000 1.120 214 F CA 0.019 57.993 58.000 -0.044 0.000 1.398 214 F CB 0.767 39.743 39.000 -0.041 0.000 1.120 214 F HN -0.166 nan 8.300 nan 0.000 0.589 215 D N -2.739 117.674 120.400 0.022 0.000 2.671 215 D HA 0.165 4.805 4.640 -0.000 0.000 0.273 215 D C -0.295 175.982 176.300 -0.040 0.000 1.264 215 D CA -0.560 53.377 54.000 -0.105 0.000 0.788 215 D CB 0.681 41.459 40.800 -0.037 0.000 1.324 215 D HN -0.000 nan 8.370 nan 0.000 0.424 216 H N -0.176 118.999 119.070 0.175 0.000 2.539 216 H HA 0.336 4.892 4.556 -0.000 0.000 0.267 216 H C -0.052 175.467 175.328 0.319 0.000 0.982 216 H CA 0.361 56.572 56.048 0.270 0.000 1.146 216 H CB 0.644 30.503 29.762 0.162 0.000 1.382 216 H HN -0.230 nan 8.280 nan 0.000 0.577 217 K N 0.799 121.308 120.400 0.181 0.000 2.498 217 K HA 0.490 4.810 4.320 -0.000 0.000 0.254 217 K C -1.581 174.903 176.600 -0.193 0.000 0.933 217 K CA -0.679 55.644 56.287 0.061 0.000 0.806 217 K CB 3.432 35.984 32.500 0.086 0.000 1.301 217 K HN -0.173 nan 8.250 nan 0.000 0.432 218 V N 2.573 122.303 119.914 -0.307 0.000 2.638 218 V HA 0.383 4.503 4.120 -0.000 0.000 0.306 218 V C -0.721 175.287 176.094 -0.142 0.000 1.052 218 V CA -0.978 61.108 62.300 -0.357 0.000 0.885 218 V CB 1.988 33.377 31.823 -0.722 0.000 0.999 218 V HN 0.462 nan 8.190 nan 0.000 0.424 219 V N 5.132 125.002 119.914 -0.073 0.000 2.427 219 V HA 0.474 4.594 4.120 -0.000 0.000 0.286 219 V C -0.226 175.898 176.094 0.050 0.000 1.034 219 V CA -0.467 61.843 62.300 0.018 0.000 0.893 219 V CB 1.844 33.659 31.823 -0.013 0.000 0.982 219 V HN 0.623 nan 8.190 nan 0.000 0.452 220 V N 5.257 125.236 119.914 0.107 0.000 2.350 220 V HA 0.491 4.611 4.120 -0.000 0.000 0.285 220 V C -0.182 176.022 176.094 0.183 0.000 1.014 220 V CA -0.619 61.768 62.300 0.145 0.000 0.831 220 V CB 1.247 33.164 31.823 0.158 0.000 1.000 220 V HN 0.963 nan 8.190 nan 0.000 0.433 221 E N 2.764 123.086 120.200 0.203 0.000 2.277 221 E HA 0.450 4.800 4.350 -0.000 0.000 0.266 221 E C -0.752 175.972 176.600 0.207 0.000 0.901 221 E CA -0.918 55.611 56.400 0.215 0.000 0.782 221 E CB 2.335 32.147 29.700 0.187 0.000 1.228 221 E HN 0.692 nan 8.360 nan 0.000 0.424 222 Q N 1.094 120.991 119.800 0.162 0.000 2.300 222 Q HA 0.136 4.476 4.340 -0.000 0.000 0.280 222 Q C -0.091 176.005 176.000 0.159 0.000 1.033 222 Q CA -0.208 55.673 55.803 0.129 0.000 0.903 222 Q CB 0.553 29.342 28.738 0.084 0.000 1.195 222 Q HN 0.730 nan 8.270 nan 0.000 0.386 223 G N 4.770 113.698 108.800 0.213 0.000 2.365 223 G HA2 0.283 4.243 3.960 -0.000 0.000 0.249 223 G HA3 0.283 4.243 3.960 -0.000 0.000 0.249 223 G C -0.356 174.539 174.900 -0.008 0.000 1.288 223 G CA -0.477 44.779 45.100 0.259 0.000 0.887 223 G HN 0.599 nan 8.290 nan 0.000 0.524 224 I N 2.274 122.689 120.570 -0.258 0.000 2.460 224 I HA 0.349 4.519 4.170 -0.000 0.000 0.298 224 I C 0.061 175.959 176.117 -0.364 0.000 0.989 224 I CA -0.994 60.115 61.300 -0.319 0.000 1.173 224 I CB 1.950 39.680 38.000 -0.451 0.000 1.338 224 I HN 0.482 nan 8.210 nan 0.000 0.456 225 K N 4.223 124.510 120.400 -0.188 0.000 2.185 225 K HA 0.857 5.177 4.320 -0.000 0.000 0.269 225 K C -0.165 176.377 176.600 -0.098 0.000 0.987 225 K CA -0.578 55.628 56.287 -0.136 0.000 0.865 225 K CB 2.396 34.863 32.500 -0.054 0.000 1.090 225 K HN 0.850 nan 8.250 nan 0.000 0.450 226 G N 1.939 110.699 108.800 -0.067 0.000 2.324 226 G HA2 0.172 4.132 3.960 -0.000 0.000 0.293 226 G HA3 0.172 4.132 3.960 -0.000 0.000 0.293 226 G C -1.512 173.428 174.900 0.067 0.000 1.297 226 G CA -1.154 43.955 45.100 0.016 0.000 0.853 226 G HN 0.469 nan 8.290 nan 0.000 0.535 227 R N -0.223 120.328 120.500 0.086 0.000 2.577 227 R HA 0.549 4.889 4.340 -0.000 0.000 0.269 227 R C -0.308 176.077 176.300 0.142 0.000 1.084 227 R CA -0.493 55.659 56.100 0.087 0.000 1.163 227 R CB 1.206 31.533 30.300 0.046 0.000 1.100 227 R HN 0.540 nan 8.270 nan 0.000 0.547 228 E N 2.095 122.358 120.200 0.104 0.000 2.114 228 E HA 0.249 4.599 4.350 -0.000 0.000 0.266 228 E C -0.938 175.651 176.600 -0.018 0.000 0.896 228 E CA -0.453 55.983 56.400 0.062 0.000 0.750 228 E CB 0.725 30.471 29.700 0.077 0.000 1.121 228 E HN 0.267 nan 8.360 nan 0.000 0.413 229 I N 3.183 123.718 120.570 -0.059 0.000 2.569 229 I HA 0.401 4.571 4.170 -0.000 0.000 0.296 229 I C 0.009 176.067 176.117 -0.097 0.000 1.028 229 I CA -0.681 60.579 61.300 -0.067 0.000 1.082 229 I CB 1.733 39.702 38.000 -0.053 0.000 1.264 229 I HN 0.616 nan 8.210 nan 0.000 0.429 230 E N 2.884 123.029 120.200 -0.092 0.000 2.369 230 E HA 0.586 4.936 4.350 -0.000 0.000 0.270 230 E C -1.562 174.971 176.600 -0.111 0.000 0.909 230 E CA -0.610 55.734 56.400 -0.093 0.000 0.775 230 E CB 3.148 32.802 29.700 -0.076 0.000 1.270 230 E HN 0.587 nan 8.360 nan 0.000 0.445 231 C N 1.515 120.754 119.300 -0.102 0.000 2.642 231 C HA 0.704 5.164 4.460 -0.000 0.000 0.344 231 C C -0.879 174.033 174.990 -0.130 0.000 1.110 231 C CA -0.241 58.684 59.018 -0.155 0.000 1.298 231 C CB 0.058 27.721 27.740 -0.128 0.000 1.827 231 C HN 0.819 nan 8.230 nan 0.000 0.467 232 A N 5.342 127.981 122.820 -0.303 0.000 2.276 232 A HA 0.658 4.978 4.320 -0.000 0.000 0.300 232 A C -0.379 177.172 177.584 -0.055 0.000 1.235 232 A CA -0.204 51.677 52.037 -0.259 0.000 0.867 232 A CB 0.429 18.825 19.000 -1.007 0.000 1.137 232 A HN 1.056 nan 8.150 nan 0.000 0.527 233 V N 3.552 123.613 119.914 0.245 0.000 2.472 233 V HA 0.535 4.655 4.120 -0.000 0.000 0.290 233 V C -0.322 175.970 176.094 0.329 0.000 1.037 233 V CA -0.531 61.840 62.300 0.119 0.000 0.908 233 V CB 1.257 32.874 31.823 -0.342 0.000 0.985 233 V HN 0.807 nan 8.190 nan 0.000 0.454 234 L N 3.798 125.169 121.223 0.246 0.000 2.408 234 L HA 1.034 5.374 4.340 -0.000 0.000 0.268 234 L C -0.023 176.842 176.870 -0.009 0.000 0.986 234 L CA 0.817 55.743 54.840 0.144 0.000 0.820 234 L CB 1.598 43.610 42.059 -0.079 0.000 1.303 234 L HN 1.025 nan 8.230 nan 0.000 0.411 235 G N 3.281 112.105 108.800 0.041 0.000 2.353 235 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.424 235 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.424 235 G C -0.854 174.130 174.900 0.139 0.000 1.320 235 G CA -0.032 45.090 45.100 0.037 0.000 0.995 235 G HN 0.744 nan 8.290 nan 0.000 0.580 236 N N -1.170 117.588 118.700 0.096 0.000 3.048 236 N HA 0.162 4.902 4.740 -0.000 0.000 0.225 236 N C 0.809 176.388 175.510 0.115 0.000 1.103 236 N CA 0.178 53.294 53.050 0.109 0.000 1.182 236 N CB 0.592 39.098 38.487 0.033 0.000 1.553 236 N HN 0.397 nan 8.380 nan 0.000 0.584 237 D N 0.150 120.587 120.400 0.061 0.000 2.305 237 D HA 0.002 4.642 4.640 -0.000 0.000 0.206 237 D C -0.108 176.223 176.300 0.052 0.000 0.974 237 D CA 0.905 54.938 54.000 0.054 0.000 0.871 237 D CB -0.104 40.713 40.800 0.028 0.000 0.947 237 D HN 0.104 nan 8.370 nan 0.000 0.516 238 N N 1.205 119.929 118.700 0.040 0.000 2.918 238 N HA 0.148 4.888 4.740 -0.000 0.000 0.270 238 N C -2.749 172.769 175.510 0.013 0.000 1.536 238 N CA -1.732 51.334 53.050 0.026 0.000 0.877 238 N CB 0.865 39.360 38.487 0.013 0.000 1.190 238 N HN -0.170 nan 8.380 nan 0.000 0.492 239 P HA 0.075 nan 4.420 nan 0.000 0.267 239 P C -0.780 176.486 177.300 -0.056 0.000 1.205 239 P CA 0.164 63.212 63.100 -0.086 0.000 0.765 239 P CB 0.777 32.352 31.700 -0.208 0.000 0.828 240 Q N 1.146 120.940 119.800 -0.011 0.000 2.306 240 Q HA 0.662 5.002 4.340 -0.000 0.000 0.265 240 Q C -0.473 175.627 176.000 0.167 0.000 1.022 240 Q CA -0.850 55.011 55.803 0.097 0.000 0.853 240 Q CB 2.713 31.561 28.738 0.184 0.000 1.327 240 Q HN 0.501 nan 8.270 nan 0.000 0.449 241 A N 1.615 124.480 122.820 0.075 0.000 2.288 241 A HA 0.533 4.853 4.320 -0.000 0.000 0.320 241 A C 0.431 177.841 177.584 -0.289 0.000 1.217 241 A CA -0.490 51.498 52.037 -0.082 0.000 0.840 241 A CB 0.605 19.547 19.000 -0.098 0.000 1.179 241 A HN 0.795 nan 8.150 nan 0.000 0.504 242 S N 2.016 117.241 115.700 -0.791 0.000 2.612 242 S HA 0.288 4.758 4.470 -0.000 0.000 0.253 242 S C 0.738 175.021 174.600 -0.530 0.000 1.346 242 S CA 0.504 58.030 58.200 -1.124 0.000 0.976 242 S CB 0.127 62.349 63.200 -1.630 0.000 0.949 242 S HN 0.966 nan 8.310 nan 0.000 0.584 243 T N -0.142 114.153 114.554 -0.431 0.000 2.855 243 T HA 0.210 4.560 4.350 -0.000 0.000 0.314 243 T C 0.227 174.761 174.700 -0.275 0.000 1.077 243 T CA -0.392 61.547 62.100 -0.269 0.000 1.095 243 T CB -0.602 68.146 68.868 -0.201 0.000 0.987 243 T HN 0.740 nan 8.240 nan 0.000 0.546 244 C N 2.499 121.685 119.300 -0.190 0.000 2.422 244 C HA 0.804 5.264 4.460 -0.000 0.000 0.364 244 C C 1.117 176.020 174.990 -0.145 0.000 1.251 244 C CA -0.481 58.439 59.018 -0.164 0.000 2.441 244 C CB 0.390 28.060 27.740 -0.116 0.000 2.393 244 C HN 1.021 nan 8.230 nan 0.000 0.606 245 G N 0.289 109.012 108.800 -0.129 0.000 2.574 245 G HA2 0.608 4.568 3.960 -0.000 0.000 0.299 245 G HA3 0.608 4.568 3.960 -0.000 0.000 0.299 245 G C -1.885 172.969 174.900 -0.077 0.000 1.298 245 G CA -0.186 44.852 45.100 -0.104 0.000 0.952 245 G HN 0.772 nan 8.290 nan 0.000 0.477 246 E N 0.038 120.202 120.200 -0.059 0.000 2.183 246 E HA 0.524 4.874 4.350 -0.000 0.000 0.271 246 E C -1.071 175.508 176.600 -0.035 0.000 0.919 246 E CA -0.749 55.626 56.400 -0.040 0.000 0.781 246 E CB 1.844 31.528 29.700 -0.027 0.000 1.140 246 E HN 0.270 nan 8.360 nan 0.000 0.402 247 I N 4.517 125.071 120.570 -0.026 0.000 2.569 247 I HA 0.370 4.540 4.170 -0.000 0.000 0.296 247 I C -1.431 174.689 176.117 0.005 0.000 1.028 247 I CA -0.986 60.303 61.300 -0.018 0.000 1.082 247 I CB 1.889 39.873 38.000 -0.027 0.000 1.264 247 I HN 0.320 nan 8.210 nan 0.000 0.429 248 V N 8.161 128.082 119.914 0.012 0.000 2.376 248 V HA 0.448 4.567 4.120 -0.000 0.000 0.287 248 V C -0.243 175.876 176.094 0.041 0.000 1.015 248 V CA -0.575 61.743 62.300 0.030 0.000 0.834 248 V CB 1.600 33.440 31.823 0.027 0.000 1.001 248 V HN 0.490 nan 8.190 nan 0.000 0.428 249 L N 5.642 126.900 121.223 0.058 0.000 2.319 249 L HA 0.523 4.863 4.340 -0.000 0.000 0.281 249 L C -0.003 176.926 176.870 0.098 0.000 1.005 249 L CA -0.455 54.430 54.840 0.074 0.000 0.828 249 L CB 1.728 43.829 42.059 0.069 0.000 1.227 249 L HN 0.852 nan 8.230 nan 0.000 0.415 250 N N 0.472 119.247 118.700 0.125 0.000 2.476 250 N HA 0.128 4.868 4.740 -0.000 0.000 0.275 250 N C 0.683 176.279 175.510 0.145 0.000 1.190 250 N CA -0.534 52.592 53.050 0.126 0.000 0.977 250 N CB 1.105 39.668 38.487 0.126 0.000 1.200 250 N HN 0.409 nan 8.380 nan 0.000 0.515 251 S N -1.112 114.649 115.700 0.101 0.000 2.607 251 S HA -0.029 4.441 4.470 -0.000 0.000 0.224 251 S C 0.658 175.277 174.600 0.032 0.000 0.969 251 S CA 0.083 58.333 58.200 0.083 0.000 0.927 251 S CB -0.628 62.608 63.200 0.060 0.000 0.772 251 S HN 0.694 nan 8.310 nan 0.000 0.533 252 E N 0.049 120.244 120.200 -0.009 0.000 2.427 252 E HA 0.124 4.474 4.350 -0.000 0.000 0.196 252 E C -0.434 175.876 176.600 -0.484 0.000 1.028 252 E CA 0.449 56.688 56.400 -0.269 0.000 0.864 252 E CB 0.040 29.485 29.700 -0.425 0.000 0.813 252 E HN 0.604 nan 8.360 nan 0.000 0.514 261 I N 3.074 123.806 120.570 0.271 0.000 2.466 261 I HA 0.313 4.483 4.170 -0.000 0.000 0.289 261 I C -0.537 175.588 176.117 0.014 0.000 1.026 261 I CA -0.474 60.832 61.300 0.010 0.000 1.078 261 I CB 1.434 39.427 38.000 -0.012 0.000 1.249 261 I HN 0.127 nan 8.210 nan 0.000 0.429 262 D N 5.649 126.028 120.400 -0.035 0.000 2.493 262 D HA -0.006 4.634 4.640 -0.000 0.000 0.240 262 D C 0.442 176.717 176.300 -0.042 0.000 1.142 262 D CA 1.267 55.238 54.000 -0.048 0.000 0.872 262 D CB 0.469 41.232 40.800 -0.062 0.000 1.173 262 D HN 0.546 nan 8.370 nan 0.000 0.467 263 D N 2.555 122.931 120.400 -0.040 0.000 3.046 263 D HA -0.287 4.353 4.640 -0.000 0.000 0.210 263 D C 0.046 176.327 176.300 -0.032 0.000 1.124 263 D CA 1.223 55.201 54.000 -0.036 0.000 0.986 263 D CB -1.319 39.457 40.800 -0.040 0.000 1.118 263 D HN 0.807 nan 8.370 nan 0.000 0.416 264 N N -2.581 116.107 118.700 -0.020 0.000 2.999 264 N HA -0.132 4.608 4.740 -0.000 0.000 0.242 264 N C 0.372 175.842 175.510 -0.067 0.000 1.016 264 N CA 0.850 53.885 53.050 -0.026 0.000 0.894 264 N CB -1.118 37.344 38.487 -0.042 0.000 1.113 264 N HN 0.393 nan 8.380 nan 0.000 0.555 265 G N 0.108 108.871 108.800 -0.061 0.000 2.530 265 G HA2 0.615 4.575 3.960 -0.000 0.000 0.313 265 G HA3 0.615 4.575 3.960 -0.000 0.000 0.313 265 G C 0.687 175.546 174.900 -0.068 0.000 0.971 265 G CA 0.250 45.316 45.100 -0.057 0.000 1.237 265 G HN 0.543 nan 8.290 nan 0.000 0.446 266 A N 2.394 125.180 122.820 -0.056 0.000 2.552 266 A HA 0.218 4.538 4.320 -0.000 0.000 0.241 266 A C 0.899 178.465 177.584 -0.029 0.000 1.103 266 A CA 0.022 52.038 52.037 -0.035 0.000 0.789 266 A CB 0.195 19.187 19.000 -0.014 0.000 1.050 266 A HN 0.724 nan 8.150 nan 0.000 0.515 267 Q N -0.033 119.759 119.800 -0.014 0.000 2.297 267 Q HA 0.447 4.787 4.340 -0.000 0.000 0.267 267 Q C -1.321 174.666 176.000 -0.021 0.000 1.006 267 Q CA -0.079 55.715 55.803 -0.015 0.000 0.896 267 Q CB 0.460 29.197 28.738 -0.001 0.000 1.186 267 Q HN 0.478 nan 8.270 nan 0.000 0.392 268 V N 4.781 124.676 119.914 -0.031 0.000 2.588 268 V HA 0.481 4.601 4.120 -0.000 0.000 0.304 268 V C -0.816 175.253 176.094 -0.042 0.000 1.042 268 V CA -0.718 61.559 62.300 -0.039 0.000 0.877 268 V CB 2.146 33.940 31.823 -0.048 0.000 0.996 268 V HN 0.638 nan 8.190 nan 0.000 0.425 269 V N 5.130 125.017 119.914 -0.044 0.000 2.577 269 V HA 0.624 4.744 4.120 -0.000 0.000 0.303 269 V C -0.731 175.328 176.094 -0.059 0.000 1.042 269 V CA -0.577 61.695 62.300 -0.046 0.000 0.872 269 V CB 2.095 33.896 31.823 -0.036 0.000 0.998 269 V HN 0.581 nan 8.190 nan 0.000 0.423 270 V N 5.990 125.865 119.914 -0.065 0.000 2.577 270 V HA 0.524 4.644 4.120 -0.000 0.000 0.303 270 V C -2.038 174.013 176.094 -0.071 0.000 1.042 270 V CA -1.217 61.035 62.300 -0.081 0.000 0.872 270 V CB 2.214 33.979 31.823 -0.096 0.000 0.998 270 V HN 0.835 nan 8.190 nan 0.000 0.423 271 P HA 0.401 nan 4.420 nan 0.000 0.274 271 P C -0.289 176.970 177.300 -0.068 0.000 1.237 271 P CA -0.293 62.758 63.100 -0.083 0.000 0.793 271 P CB 0.865 32.519 31.700 -0.077 0.000 0.977 272 A N 2.284 125.062 122.820 -0.072 0.000 2.546 272 A HA 0.010 4.330 4.320 -0.000 0.000 0.243 272 A C 0.692 178.250 177.584 -0.044 0.000 1.063 272 A CA -0.063 51.941 52.037 -0.055 0.000 0.757 272 A CB -0.423 18.542 19.000 -0.058 0.000 0.991 272 A HN 0.439 nan 8.150 nan 0.000 0.503 273 Q N 1.910 121.690 119.800 -0.033 0.000 3.026 273 Q HA 0.283 4.623 4.340 -0.000 0.000 0.258 273 Q C -0.055 175.932 176.000 -0.022 0.000 1.388 273 Q CA 0.475 56.263 55.803 -0.026 0.000 1.000 273 Q CB -0.868 27.858 28.738 -0.020 0.000 1.634 273 Q HN 0.719 nan 8.270 nan 0.000 0.571 274 I N -2.541 118.014 120.570 -0.026 0.000 3.042 274 I HA 0.700 4.870 4.170 -0.000 0.000 0.310 274 I C -2.588 173.516 176.117 -0.022 0.000 1.117 274 I CA -3.058 58.229 61.300 -0.021 0.000 1.003 274 I CB 1.816 39.802 38.000 -0.023 0.000 1.228 274 I HN -0.074 nan 8.210 nan 0.000 0.443 275 P HA 0.161 nan 4.420 nan 0.000 0.272 275 P C 0.631 177.917 177.300 -0.022 0.000 1.223 275 P CA -0.364 62.726 63.100 -0.018 0.000 0.784 275 P CB 0.900 32.592 31.700 -0.013 0.000 0.923 276 S N 0.556 116.243 115.700 -0.022 0.000 2.453 276 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 276 S C 1.390 175.975 174.600 -0.025 0.000 1.005 276 S CA 0.772 58.956 58.200 -0.027 0.000 0.949 276 S CB -0.686 62.499 63.200 -0.024 0.000 0.774 276 S HN 0.638 nan 8.310 nan 0.000 0.510 277 E N 1.430 121.618 120.200 -0.019 0.000 2.216 277 E HA -0.026 4.324 4.350 -0.000 0.000 0.192 277 E C 1.903 178.493 176.600 -0.016 0.000 0.988 277 E CA 0.872 57.263 56.400 -0.016 0.000 0.834 277 E CB -0.627 29.067 29.700 -0.011 0.000 0.772 277 E HN 0.506 nan 8.360 nan 0.000 0.479 278 V N 2.454 122.358 119.914 -0.017 0.000 2.407 278 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 278 V C 2.536 178.614 176.094 -0.026 0.000 1.041 278 V CA 1.745 64.035 62.300 -0.017 0.000 1.040 278 V CB -0.990 30.825 31.823 -0.013 0.000 0.671 278 V HN 0.385 nan 8.190 nan 0.000 0.455 279 N N 0.315 118.994 118.700 -0.035 0.000 2.060 279 N HA -0.259 4.481 4.740 -0.000 0.000 0.195 279 N C 1.473 176.953 175.510 -0.050 0.000 1.028 279 N CA 1.955 54.975 53.050 -0.050 0.000 0.861 279 N CB -0.033 38.420 38.487 -0.056 0.000 1.029 279 N HN 0.471 nan 8.380 nan 0.000 0.428 280 D N 0.426 120.803 120.400 -0.039 0.000 2.149 280 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 280 D C 1.814 178.098 176.300 -0.027 0.000 0.972 280 D CA 0.710 54.689 54.000 -0.034 0.000 0.835 280 D CB -0.164 40.620 40.800 -0.026 0.000 0.966 280 D HN 0.379 nan 8.370 nan 0.000 0.476 281 K N 0.817 121.205 120.400 -0.021 0.000 2.063 281 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 281 K C 2.134 178.724 176.600 -0.018 0.000 1.048 281 K CA 0.968 57.246 56.287 -0.014 0.000 0.928 281 K CB -0.115 32.379 32.500 -0.009 0.000 0.713 281 K HN 0.070 nan 8.250 nan 0.000 0.442 282 I N 0.359 120.912 120.570 -0.028 0.000 2.286 282 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 282 I C 2.471 178.563 176.117 -0.042 0.000 1.104 282 I CA 0.932 62.211 61.300 -0.034 0.000 1.397 282 I CB -0.148 37.825 38.000 -0.044 0.000 1.072 282 I HN 0.155 nan 8.210 nan 0.000 0.417 283 R N 0.763 121.232 120.500 -0.053 0.000 2.083 283 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 283 R C 2.458 178.735 176.300 -0.039 0.000 1.137 283 R CA 1.648 57.711 56.100 -0.063 0.000 0.951 283 R CB -0.527 29.728 30.300 -0.074 0.000 0.851 283 R HN 0.360 nan 8.270 nan 0.000 0.434 284 A N 1.030 123.835 122.820 -0.025 0.000 1.933 284 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 284 A C 2.143 179.727 177.584 0.000 0.000 1.175 284 A CA 1.267 53.299 52.037 -0.009 0.000 0.628 284 A CB -0.488 18.509 19.000 -0.004 0.000 0.814 284 A HN 0.209 nan 8.150 nan 0.000 0.444 285 I N -0.387 120.182 120.570 -0.002 0.000 2.315 285 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 285 I C 2.974 179.100 176.117 0.015 0.000 1.117 285 I CA 0.881 62.186 61.300 0.007 0.000 1.404 285 I CB -0.390 37.611 38.000 0.002 0.000 1.071 285 I HN 0.367 nan 8.210 nan 0.000 0.419 286 A N 1.293 124.114 122.820 0.002 0.000 1.892 286 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 286 A C 2.275 179.889 177.584 0.049 0.000 1.188 286 A CA 1.729 53.776 52.037 0.016 0.000 0.631 286 A CB -0.873 18.115 19.000 -0.019 0.000 0.822 286 A HN 0.387 nan 8.150 nan 0.000 0.447 287 I N -0.646 119.935 120.570 0.019 0.000 2.226 287 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 287 I C 2.808 178.985 176.117 0.100 0.000 1.100 287 I CA 1.560 62.879 61.300 0.032 0.000 1.374 287 I CB -0.401 37.597 38.000 -0.002 0.000 1.057 287 I HN 0.439 nan 8.210 nan 0.000 0.413 288 Q N 0.508 120.350 119.800 0.070 0.000 2.084 288 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 288 Q C 2.493 178.546 176.000 0.088 0.000 0.978 288 Q CA 1.735 57.581 55.803 0.072 0.000 0.844 288 Q CB -0.333 28.433 28.738 0.046 0.000 0.898 288 Q HN 0.594 nan 8.270 nan 0.000 0.426 289 A N 0.307 123.180 122.820 0.089 0.000 1.908 289 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 289 A C 1.900 179.559 177.584 0.125 0.000 1.181 289 A CA 1.463 53.550 52.037 0.084 0.000 0.627 289 A CB -0.917 18.123 19.000 0.067 0.000 0.818 289 A HN 0.508 nan 8.150 nan 0.000 0.445 290 Y N 0.383 120.697 120.300 0.024 0.000 2.181 290 Y HA -0.242 4.308 4.550 -0.000 0.000 0.288 290 Y C 2.576 178.493 175.900 0.028 0.000 1.146 290 Y CA 2.380 60.500 58.100 0.033 0.000 1.164 290 Y CB -0.232 38.258 38.460 0.050 0.000 0.982 290 Y HN 0.448 nan 8.280 nan 0.000 0.515 291 Q N -1.379 118.549 119.800 0.212 0.000 2.083 291 Q HA -0.126 4.214 4.340 -0.000 0.000 0.198 291 Q C 2.138 178.165 176.000 0.044 0.000 0.969 291 Q CA 1.866 57.743 55.803 0.123 0.000 0.838 291 Q CB -0.157 28.655 28.738 0.124 0.000 0.900 291 Q HN 0.352 nan 8.270 nan 0.000 0.436 292 T N 1.244 115.825 114.554 0.046 0.000 2.788 292 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 292 T C 1.489 176.188 174.700 -0.000 0.000 1.044 292 T CA 0.842 62.956 62.100 0.024 0.000 1.139 292 T CB -0.005 68.881 68.868 0.030 0.000 0.867 292 T HN 0.184 nan 8.240 nan 0.000 0.454 293 L N 0.324 121.534 121.223 -0.022 0.000 2.592 293 L HA 0.294 4.634 4.340 -0.000 0.000 0.227 293 L C 1.791 178.606 176.870 -0.092 0.000 1.127 293 L CA 0.162 54.972 54.840 -0.051 0.000 0.884 293 L CB -0.458 41.568 42.059 -0.055 0.000 1.065 293 L HN 0.439 nan 8.230 nan 0.000 0.457 294 G N -0.164 108.573 108.800 -0.104 0.000 2.160 294 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 294 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 294 G C 0.388 175.160 174.900 -0.213 0.000 1.008 294 G CA 0.073 45.104 45.100 -0.115 0.000 0.724 294 G HN 0.374 nan 8.290 nan 0.000 0.514 295 C N 0.243 119.284 119.300 -0.432 0.000 2.700 295 C HA 0.695 5.155 4.460 -0.000 0.000 0.397 295 C C 1.108 175.787 174.990 -0.518 0.000 1.301 295 C CA 0.492 59.145 59.018 -0.610 0.000 2.219 295 C CB 0.628 27.672 27.740 -1.161 0.000 2.699 295 C HN 1.484 nan 8.230 nan 0.000 0.669 296 A N 0.720 123.388 122.820 -0.254 0.000 2.539 296 A HA 0.773 5.093 4.320 -0.000 0.000 0.296 296 A C 0.544 178.159 177.584 0.051 0.000 1.073 296 A CA 0.414 52.424 52.037 -0.044 0.000 0.700 296 A CB 0.814 19.777 19.000 -0.062 0.000 1.296 296 A HN 2.278 nan 8.150 nan 0.000 0.405 297 G N 0.129 108.997 108.800 0.113 0.000 5.155 297 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.239 297 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.239 297 G C 0.316 175.316 174.900 0.168 0.000 1.409 297 G CA 1.706 46.842 45.100 0.059 0.000 0.927 297 G HN 2.346 nan 8.290 nan 0.000 0.710 298 M N -1.590 118.137 119.600 0.211 0.000 2.644 298 M HA 0.853 5.333 4.480 -0.000 0.000 0.273 298 M C -0.806 175.710 176.300 0.361 0.000 1.253 298 M CA -0.361 55.115 55.300 0.294 0.000 0.852 298 M CB 2.103 34.724 32.600 0.034 0.000 1.708 298 M HN 2.163 nan 8.290 nan 0.000 0.471 299 A N 1.035 124.141 122.820 0.477 0.000 2.605 299 A HA 0.783 5.103 4.320 -0.000 0.000 0.294 299 A C -1.882 175.945 177.584 0.406 0.000 1.062 299 A CA -0.839 51.404 52.037 0.342 0.000 0.682 299 A CB 1.934 21.157 19.000 0.372 0.000 1.278 299 A HN 0.942 nan 8.150 nan 0.000 0.410 300 R N 1.203 121.872 120.500 0.280 0.000 2.255 300 R HA 0.621 4.961 4.340 -0.000 0.000 0.326 300 R C -1.515 174.867 176.300 0.136 0.000 0.986 300 R CA -0.285 55.973 56.100 0.263 0.000 0.847 300 R CB 1.159 31.609 30.300 0.249 0.000 1.111 300 R HN 0.527 nan 8.270 nan 0.000 0.452 301 V N 4.655 124.625 119.914 0.093 0.000 2.398 301 V HA 0.282 4.402 4.120 -0.000 0.000 0.286 301 V C -0.663 175.407 176.094 -0.039 0.000 1.026 301 V CA -0.702 61.616 62.300 0.031 0.000 0.868 301 V CB 1.728 33.575 31.823 0.041 0.000 0.982 301 V HN 0.761 nan 8.190 nan 0.000 0.443 302 D N 3.526 123.872 120.400 -0.091 0.000 2.375 302 D HA 0.638 5.278 4.640 -0.000 0.000 0.247 302 D C -0.323 175.816 176.300 -0.269 0.000 1.061 302 D CA -0.098 53.800 54.000 -0.171 0.000 0.834 302 D CB 2.381 43.066 40.800 -0.192 0.000 1.247 302 D HN 0.506 nan 8.370 nan 0.000 0.489 303 V N -1.612 118.121 119.914 -0.302 0.000 3.102 303 V HA 0.727 4.847 4.120 -0.000 0.000 0.312 303 V C -1.226 174.612 176.094 -0.427 0.000 1.135 303 V CA -0.947 61.150 62.300 -0.339 0.000 1.022 303 V CB 1.762 33.503 31.823 -0.137 0.000 1.056 303 V HN 0.211 nan 8.190 nan 0.000 0.436 304 F N 2.316 122.240 119.950 -0.043 0.000 2.421 304 F HA 0.775 5.302 4.527 -0.000 0.000 0.337 304 F C -0.218 175.565 175.800 -0.028 0.000 1.105 304 F CA -0.958 57.017 58.000 -0.042 0.000 1.049 304 F CB 1.728 40.699 39.000 -0.050 0.000 1.139 304 F HN 0.492 nan 8.300 nan 0.000 0.479 305 L N 4.201 125.527 121.223 0.171 0.000 2.295 305 L HA 0.463 4.803 4.340 -0.000 0.000 0.281 305 L C 0.306 177.222 176.870 0.077 0.000 1.018 305 L CA -0.272 54.621 54.840 0.088 0.000 0.841 305 L CB 0.448 42.535 42.059 0.047 0.000 1.218 305 L HN 0.754 nan 8.230 nan 0.000 0.424 306 T N 1.469 116.060 114.554 0.062 0.000 2.754 306 T HA 0.448 4.798 4.350 -0.000 0.000 0.286 306 T C 1.382 176.096 174.700 0.023 0.000 0.997 306 T CA -0.022 62.098 62.100 0.033 0.000 0.982 306 T CB 1.061 69.943 68.868 0.024 0.000 1.027 306 T HN 0.703 nan 8.240 nan 0.000 0.529 307 A N 0.706 123.534 122.820 0.014 0.000 2.070 307 A HA -0.047 4.273 4.320 -0.000 0.000 0.220 307 A C 1.806 179.396 177.584 0.010 0.000 1.159 307 A CA 1.445 53.488 52.037 0.011 0.000 0.656 307 A CB -0.794 18.210 19.000 0.007 0.000 0.800 307 A HN 0.945 nan 8.150 nan 0.000 0.453 308 D N -1.053 119.353 120.400 0.012 0.000 2.328 308 D HA -0.016 4.624 4.640 -0.000 0.000 0.221 308 D C -0.261 176.046 176.300 0.012 0.000 1.072 308 D CA 0.176 54.183 54.000 0.011 0.000 0.850 308 D CB -0.340 40.466 40.800 0.011 0.000 0.922 308 D HN 0.303 nan 8.370 nan 0.000 0.516 309 N N 1.185 119.894 118.700 0.015 0.000 2.741 309 N HA -0.127 4.613 4.740 -0.000 0.000 0.251 309 N C -0.547 174.974 175.510 0.018 0.000 1.112 309 N CA 0.830 53.889 53.050 0.015 0.000 0.750 309 N CB -0.888 37.604 38.487 0.008 0.000 1.119 309 N HN 0.443 nan 8.380 nan 0.000 0.561 310 E N 0.286 120.500 120.200 0.024 0.000 2.383 310 E HA 0.305 4.654 4.350 -0.000 0.000 0.264 310 E C 0.384 177.009 176.600 0.042 0.000 1.050 310 E CA -0.144 56.274 56.400 0.031 0.000 0.896 310 E CB 1.365 31.085 29.700 0.033 0.000 0.982 310 E HN -0.011 nan 8.360 nan 0.000 0.424 311 V N 2.873 122.812 119.914 0.041 0.000 2.444 311 V HA 0.254 4.374 4.120 -0.000 0.000 0.294 311 V C -0.256 175.870 176.094 0.054 0.000 1.022 311 V CA -0.785 61.541 62.300 0.042 0.000 0.850 311 V CB 1.831 33.664 31.823 0.018 0.000 0.992 311 V HN 0.347 nan 8.190 nan 0.000 0.426 312 V N 5.733 125.698 119.914 0.086 0.000 2.444 312 V HA 0.470 4.590 4.120 -0.000 0.000 0.294 312 V C -0.090 176.027 176.094 0.038 0.000 1.022 312 V CA -0.712 61.651 62.300 0.105 0.000 0.850 312 V CB 1.807 33.751 31.823 0.201 0.000 0.992 312 V HN 0.599 nan 8.190 nan 0.000 0.426 313 I N 3.937 124.505 120.570 -0.003 0.000 2.556 313 I HA 0.162 4.332 4.170 -0.000 0.000 0.284 313 I C 1.010 177.054 176.117 -0.123 0.000 1.114 313 I CA 0.492 61.747 61.300 -0.076 0.000 1.418 313 I CB 0.249 38.222 38.000 -0.045 0.000 1.394 313 I HN 0.772 nan 8.210 nan 0.000 0.552 314 N N 4.716 123.257 118.700 -0.264 0.000 2.591 314 N HA 0.042 4.782 4.740 -0.000 0.000 0.200 314 N C -0.474 174.914 175.510 -0.204 0.000 1.040 314 N CA 0.555 53.416 53.050 -0.315 0.000 0.911 314 N CB 0.826 38.851 38.487 -0.769 0.000 1.259 314 N HN 0.727 nan 8.380 nan 0.000 0.438 315 E N -0.064 120.022 120.200 -0.190 0.000 2.363 315 E HA 0.328 4.678 4.350 -0.000 0.000 0.281 315 E C -1.382 175.174 176.600 -0.073 0.000 0.953 315 E CA -0.754 55.576 56.400 -0.118 0.000 0.778 315 E CB 1.656 31.289 29.700 -0.111 0.000 1.220 315 E HN -0.099 nan 8.360 nan 0.000 0.431 316 I N 2.397 122.943 120.570 -0.040 0.000 2.339 316 I HA 0.309 4.479 4.170 -0.000 0.000 0.290 316 I C -0.593 175.530 176.117 0.009 0.000 0.994 316 I CA -1.002 60.299 61.300 0.002 0.000 1.191 316 I CB 0.809 38.815 38.000 0.010 0.000 1.343 316 I HN 0.546 nan 8.210 nan 0.000 0.458 317 N N 4.742 123.463 118.700 0.035 0.000 2.446 317 N HA 0.219 4.959 4.740 -0.000 0.000 0.265 317 N C 1.047 176.590 175.510 0.055 0.000 0.975 317 N CA -0.160 52.914 53.050 0.039 0.000 0.928 317 N CB 2.215 40.727 38.487 0.042 0.000 1.160 317 N HN 0.605 nan 8.380 nan 0.000 0.495 318 T N -1.143 113.434 114.554 0.039 0.000 3.067 318 T HA 0.072 4.422 4.350 -0.000 0.000 0.261 318 T C 0.622 175.339 174.700 0.030 0.000 1.110 318 T CA 0.647 62.764 62.100 0.029 0.000 1.113 318 T CB 0.183 69.056 68.868 0.008 0.000 0.917 318 T HN 0.173 nan 8.240 nan 0.000 0.499 319 L N 2.934 124.197 121.223 0.068 0.000 2.502 319 L HA 0.502 4.842 4.340 -0.000 0.000 0.249 319 L C -2.524 174.489 176.870 0.237 0.000 1.446 319 L CA -2.892 52.016 54.840 0.113 0.000 0.887 319 L CB 1.445 43.561 42.059 0.094 0.000 1.126 319 L HN 0.028 nan 8.230 nan 0.000 0.509 320 P HA 0.136 nan 4.420 nan 0.000 0.272 320 P C 0.438 177.863 177.300 0.208 0.000 1.240 320 P CA -0.192 62.991 63.100 0.139 0.000 0.791 320 P CB 0.880 32.656 31.700 0.126 0.000 0.978 321 G N 0.102 108.892 108.800 -0.016 0.000 2.287 321 G HA2 0.019 3.979 3.960 -0.000 0.000 0.235 321 G HA3 0.019 3.979 3.960 -0.000 0.000 0.235 321 G C -0.609 174.448 174.900 0.261 0.000 1.258 321 G CA -0.142 44.931 45.100 -0.044 0.000 0.884 321 G HN 0.498 nan 8.290 nan 0.000 0.518 322 F N 1.499 121.556 119.950 0.178 0.000 2.811 322 F HA 0.224 4.751 4.527 0.000 0.000 0.342 322 F C 1.529 177.465 175.800 0.227 0.000 1.203 322 F CA -0.213 57.938 58.000 0.251 0.000 1.173 322 F CB 0.390 39.541 39.000 0.251 0.000 1.094 322 F HN 0.661 nan 8.300 nan 0.000 0.510 323 T N -1.790 112.867 114.554 0.172 0.000 2.726 323 T HA 0.003 4.353 4.350 -0.000 0.000 0.294 323 T C 1.556 176.194 174.700 -0.102 0.000 1.013 323 T CA -0.102 62.035 62.100 0.062 0.000 0.996 323 T CB 0.578 69.443 68.868 -0.006 0.000 1.016 323 T HN 0.384 nan 8.240 nan 0.000 0.529 324 N N -0.049 118.520 118.700 -0.218 0.000 2.519 324 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 324 N C 0.775 176.094 175.510 -0.319 0.000 1.062 324 N CA 0.701 53.483 53.050 -0.446 0.000 0.910 324 N CB -0.320 37.959 38.487 -0.347 0.000 0.958 324 N HN 0.547 nan 8.380 nan 0.000 0.445 325 I N 0.088 120.537 120.570 -0.201 0.000 4.225 325 I HA 0.195 4.365 4.170 -0.000 0.000 0.327 325 I C -0.126 175.923 176.117 -0.114 0.000 1.422 325 I CA -0.218 60.992 61.300 -0.150 0.000 1.150 325 I CB 0.575 38.500 38.000 -0.124 0.000 1.192 325 I HN -0.116 nan 8.210 nan 0.000 0.440 326 S N 0.306 115.944 115.700 -0.104 0.000 2.617 326 S HA 0.157 4.627 4.470 -0.000 0.000 0.269 326 S C 1.251 175.819 174.600 -0.053 0.000 1.292 326 S CA -0.384 57.781 58.200 -0.059 0.000 1.010 326 S CB 1.168 64.357 63.200 -0.018 0.000 0.944 326 S HN 0.265 nan 8.310 nan 0.000 0.536 327 M N 1.701 121.283 119.600 -0.029 0.000 2.073 327 M HA -0.156 4.324 4.480 -0.000 0.000 0.258 327 M C 1.689 177.970 176.300 -0.031 0.000 1.070 327 M CA 1.882 57.160 55.300 -0.037 0.000 1.103 327 M CB -0.807 31.779 32.600 -0.022 0.000 1.321 327 M HN 0.811 nan 8.290 nan 0.000 0.405 328 Y N 0.988 121.255 120.300 -0.054 0.000 2.030 328 Y HA -0.192 4.358 4.550 -0.000 0.000 0.274 328 Y C -0.855 175.039 175.900 -0.010 0.000 1.153 328 Y CA 2.789 60.884 58.100 -0.009 0.000 1.115 328 Y CB -1.784 36.733 38.460 0.095 0.000 0.969 328 Y HN 0.258 nan 8.280 nan 0.000 0.488 329 P HA -0.173 nan 4.420 nan 0.000 0.216 329 P C 1.186 178.486 177.300 0.001 0.000 1.153 329 P CA 1.728 64.839 63.100 0.018 0.000 0.848 329 P CB -0.053 31.628 31.700 -0.031 0.000 0.787 330 K N -0.069 120.285 120.400 -0.075 0.000 2.103 330 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 330 K C 2.300 178.826 176.600 -0.123 0.000 1.048 330 K CA 0.957 57.190 56.287 -0.090 0.000 0.930 330 K CB -1.163 31.276 32.500 -0.102 0.000 0.716 330 K HN 0.269 nan 8.250 nan 0.000 0.444 331 L N -1.535 119.557 121.223 -0.217 0.000 2.083 331 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 331 L C 2.323 178.948 176.870 -0.408 0.000 1.083 331 L CA 1.219 55.847 54.840 -0.354 0.000 0.752 331 L CB -0.371 41.383 42.059 -0.509 0.000 0.899 331 L HN 0.252 nan 8.230 nan 0.000 0.433 332 W N -0.023 121.147 121.300 -0.217 0.000 2.418 332 W HA -0.187 4.473 4.660 -0.000 0.000 0.292 332 W C 2.802 179.274 176.519 -0.078 0.000 1.213 332 W CA 0.895 58.148 57.345 -0.155 0.000 1.283 332 W CB -0.065 29.303 29.460 -0.153 0.000 1.119 332 W HN 0.193 nan 8.180 nan 0.000 0.542 333 Q N 0.477 120.361 119.800 0.139 0.000 2.135 333 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 333 Q C 2.125 178.148 176.000 0.039 0.000 0.981 333 Q CA 1.937 57.795 55.803 0.092 0.000 0.856 333 Q CB -0.322 28.443 28.738 0.045 0.000 0.902 333 Q HN 0.204 nan 8.270 nan 0.000 0.425 334 A N -0.542 122.267 122.820 -0.019 0.000 2.167 334 A HA 0.044 4.364 4.320 -0.000 0.000 0.214 334 A C 1.522 179.082 177.584 -0.041 0.000 1.151 334 A CA 0.875 52.885 52.037 -0.046 0.000 0.735 334 A CB 0.221 19.167 19.000 -0.090 0.000 0.802 334 A HN 0.281 nan 8.150 nan 0.000 0.467 335 S N -1.242 114.450 115.700 -0.012 0.000 2.601 335 S HA 0.427 4.897 4.470 -0.000 0.000 0.244 335 S C 1.147 175.826 174.600 0.131 0.000 1.001 335 S CA 0.402 58.611 58.200 0.015 0.000 0.984 335 S CB 0.277 63.418 63.200 -0.098 0.000 0.842 335 S HN 1.454 nan 8.310 nan 0.000 0.474 336 G N 1.341 110.205 108.800 0.107 0.000 2.157 336 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.248 336 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.248 336 G C -0.260 174.712 174.900 0.121 0.000 0.979 336 G CA 0.082 45.242 45.100 0.101 0.000 0.650 336 G HN 0.487 nan 8.290 nan 0.000 0.529 337 L N 1.955 123.289 121.223 0.185 0.000 2.316 337 L HA 0.789 5.129 4.340 -0.000 0.000 0.280 337 L C 0.833 177.791 176.870 0.146 0.000 1.006 337 L CA -0.022 54.896 54.840 0.130 0.000 0.836 337 L CB 0.955 43.050 42.059 0.061 0.000 1.221 337 L HN 0.401 nan 8.230 nan 0.000 0.418 338 G N 2.302 111.168 108.800 0.110 0.000 2.634 338 G HA2 0.010 3.970 3.960 -0.000 0.000 0.255 338 G HA3 0.010 3.970 3.960 -0.000 0.000 0.255 338 G C 0.134 175.144 174.900 0.183 0.000 1.205 338 G CA -0.014 45.170 45.100 0.139 0.000 0.884 338 G HN 0.709 nan 8.290 nan 0.000 0.549 339 Y N 0.096 120.434 120.300 0.063 0.000 2.181 339 Y HA -0.134 4.416 4.550 0.000 0.000 0.288 339 Y C 3.149 179.121 175.900 0.120 0.000 1.146 339 Y CA 2.479 60.629 58.100 0.083 0.000 1.164 339 Y CB -0.309 38.181 38.460 0.050 0.000 0.982 339 Y HN 0.471 nan 8.280 nan 0.000 0.515 340 T N 0.099 114.721 114.554 0.113 0.000 2.708 340 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 340 T C 1.331 176.058 174.700 0.045 0.000 1.037 340 T CA 1.668 63.799 62.100 0.051 0.000 1.146 340 T CB -0.322 68.602 68.868 0.095 0.000 0.865 340 T HN 0.336 nan 8.240 nan 0.000 0.435 341 D N 0.876 121.309 120.400 0.055 0.000 2.178 341 D HA -0.011 4.629 4.640 -0.000 0.000 0.202 341 D C 1.985 178.286 176.300 0.001 0.000 0.974 341 D CA 0.364 54.385 54.000 0.034 0.000 0.841 341 D CB -0.385 40.430 40.800 0.024 0.000 0.953 341 D HN 0.199 nan 8.370 nan 0.000 0.478 342 L N 0.676 121.901 121.223 0.005 0.000 2.056 342 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 342 L C 2.013 178.909 176.870 0.044 0.000 1.078 342 L CA 1.315 56.152 54.840 -0.005 0.000 0.749 342 L CB -0.496 41.615 42.059 0.087 0.000 0.901 342 L HN -0.063 nan 8.230 nan 0.000 0.433 343 I N -0.988 119.604 120.570 0.038 0.000 2.179 343 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 343 I C 2.428 178.534 176.117 -0.018 0.000 1.088 343 I CA 1.449 62.777 61.300 0.047 0.000 1.357 343 I CB -0.436 37.538 38.000 -0.044 0.000 1.051 343 I HN 0.200 nan 8.210 nan 0.000 0.409 344 S N 0.214 115.933 115.700 0.030 0.000 2.370 344 S HA -0.250 4.220 4.470 -0.000 0.000 0.226 344 S C 2.078 176.694 174.600 0.028 0.000 1.033 344 S CA 1.487 59.748 58.200 0.101 0.000 1.011 344 S CB -0.319 63.006 63.200 0.209 0.000 0.852 344 S HN 0.283 nan 8.310 nan 0.000 0.457 345 R N 1.459 121.949 120.500 -0.016 0.000 2.092 345 R HA 0.114 4.454 4.340 -0.000 0.000 0.231 345 R C 1.951 178.198 176.300 -0.088 0.000 1.119 345 R CA 1.201 57.267 56.100 -0.057 0.000 0.970 345 R CB -0.898 29.335 30.300 -0.112 0.000 0.864 345 R HN 0.408 nan 8.270 nan 0.000 0.440 346 L N -0.356 120.798 121.223 -0.114 0.000 2.083 346 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 346 L C 2.279 179.008 176.870 -0.235 0.000 1.083 346 L CA 1.321 56.041 54.840 -0.199 0.000 0.752 346 L CB -0.326 41.541 42.059 -0.319 0.000 0.899 346 L HN 0.192 nan 8.230 nan 0.000 0.433 347 I N -0.507 119.935 120.570 -0.214 0.000 2.252 347 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 347 I C 2.386 178.449 176.117 -0.091 0.000 1.102 347 I CA 1.238 62.418 61.300 -0.200 0.000 1.385 347 I CB -0.204 37.617 38.000 -0.299 0.000 1.064 347 I HN 0.251 nan 8.210 nan 0.000 0.414 348 E N 0.754 120.935 120.200 -0.032 0.000 2.077 348 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 348 E C 2.282 178.858 176.600 -0.041 0.000 0.989 348 E CA 1.168 57.564 56.400 -0.005 0.000 0.800 348 E CB -0.132 29.573 29.700 0.009 0.000 0.746 348 E HN 0.445 nan 8.360 nan 0.000 0.452 349 L N 0.529 121.711 121.223 -0.069 0.000 2.083 349 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 349 L C 2.550 179.365 176.870 -0.092 0.000 1.083 349 L CA 0.937 55.734 54.840 -0.071 0.000 0.752 349 L CB -0.428 41.587 42.059 -0.073 0.000 0.899 349 L HN 0.154 nan 8.230 nan 0.000 0.433 350 A N 0.169 122.912 122.820 -0.129 0.000 1.883 350 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 350 A C 2.230 179.751 177.584 -0.104 0.000 1.186 350 A CA 1.577 53.516 52.037 -0.163 0.000 0.624 350 A CB -0.708 18.177 19.000 -0.191 0.000 0.822 350 A HN 0.370 nan 8.150 nan 0.000 0.444 351 L N -0.862 120.323 121.223 -0.063 0.000 2.156 351 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 351 L C 2.554 179.435 176.870 0.018 0.000 1.095 351 L CA 1.267 56.099 54.840 -0.013 0.000 0.770 351 L CB -0.555 41.502 42.059 -0.002 0.000 0.914 351 L HN 0.462 nan 8.230 nan 0.000 0.439 352 E N 0.056 120.250 120.200 -0.010 0.000 2.051 352 E HA -0.263 4.087 4.350 -0.000 0.000 0.192 352 E C 2.273 178.861 176.600 -0.020 0.000 0.991 352 E CA 1.094 57.487 56.400 -0.011 0.000 0.799 352 E CB -0.099 29.589 29.700 -0.020 0.000 0.748 352 E HN 0.326 nan 8.360 nan 0.000 0.449 353 R N 0.025 120.498 120.500 -0.044 0.000 2.075 353 R HA -0.183 4.157 4.340 -0.000 0.000 0.232 353 R C 2.332 178.593 176.300 -0.064 0.000 1.126 353 R CA 1.560 57.618 56.100 -0.070 0.000 0.963 353 R CB -0.201 30.027 30.300 -0.120 0.000 0.858 353 R HN 0.213 nan 8.270 nan 0.000 0.435 354 H N -0.408 118.582 119.070 -0.134 0.000 2.352 354 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 354 H C 1.664 176.959 175.328 -0.056 0.000 1.097 354 H CA 2.493 58.479 56.048 -0.104 0.000 1.311 354 H CB -0.134 29.573 29.762 -0.092 0.000 1.377 354 H HN 0.137 nan 8.280 nan 0.000 0.504 355 T N -0.073 114.494 114.554 0.021 0.000 2.746 355 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 355 T C 2.193 176.853 174.700 -0.066 0.000 1.039 355 T CA 1.258 63.348 62.100 -0.017 0.000 1.142 355 T CB -0.612 68.266 68.868 0.015 0.000 0.866 355 T HN 0.546 nan 8.240 nan 0.000 0.444 356 A N 2.153 124.935 122.820 -0.064 0.000 1.898 356 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 356 A C 2.254 179.785 177.584 -0.088 0.000 1.181 356 A CA 1.395 53.395 52.037 -0.062 0.000 0.620 356 A CB -0.527 18.444 19.000 -0.048 0.000 0.819 356 A HN 0.371 nan 8.150 nan 0.000 0.442 357 N N 0.766 119.387 118.700 -0.131 0.000 2.142 357 N HA -0.115 4.625 4.740 -0.000 0.000 0.186 357 N C 1.298 176.714 175.510 -0.157 0.000 1.023 357 N CA 1.433 54.396 53.050 -0.145 0.000 0.852 357 N CB -0.583 37.794 38.487 -0.185 0.000 0.998 357 N HN 0.437 nan 8.380 nan 0.000 0.424 358 N N 0.951 119.516 118.700 -0.225 0.000 2.289 358 N HA -0.030 4.710 4.740 -0.000 0.000 0.184 358 N C 1.393 176.850 175.510 -0.089 0.000 1.016 358 N CA 0.877 53.825 53.050 -0.170 0.000 0.872 358 N CB -0.354 38.018 38.487 -0.191 0.000 0.973 358 N HN 0.247 nan 8.380 nan 0.000 0.433 359 A N 0.591 123.366 122.820 -0.075 0.000 2.121 359 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 359 A C 0.940 178.499 177.584 -0.041 0.000 1.154 359 A CA 0.263 52.271 52.037 -0.048 0.000 0.679 359 A CB -0.416 18.561 19.000 -0.039 0.000 0.795 359 A HN 0.195 nan 8.150 nan 0.000 0.458 360 L N 0.521 121.716 121.223 -0.047 0.000 2.461 360 L HA 0.089 4.429 4.340 -0.000 0.000 0.272 360 L C 0.471 177.325 176.870 -0.028 0.000 1.197 360 L CA -0.187 54.632 54.840 -0.035 0.000 0.836 360 L CB 0.488 42.525 42.059 -0.037 0.000 1.105 360 L HN 0.229 nan 8.230 nan 0.000 0.477 361 K N 0.526 120.914 120.400 -0.020 0.000 2.219 361 K HA 0.167 4.487 4.320 -0.000 0.000 0.258 361 K C 0.674 177.266 176.600 -0.013 0.000 1.008 361 K CA 0.301 56.578 56.287 -0.016 0.000 0.928 361 K CB 1.092 33.585 32.500 -0.012 0.000 0.983 361 K HN 0.791 nan 8.250 nan 0.000 0.484 362 T N -3.167 111.381 114.554 -0.010 0.000 3.388 362 T HA 0.076 4.426 4.350 -0.000 0.000 0.254 362 T C 0.181 174.879 174.700 -0.004 0.000 1.002 362 T CA 0.407 62.504 62.100 -0.006 0.000 1.164 362 T CB -0.313 68.553 68.868 -0.003 0.000 1.184 362 T HN 0.826 nan 8.240 nan 0.000 0.399 363 T N 0.000 114.552 114.554 -0.004 0.000 3.816 363 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 363 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 363 T CB 0.000 68.865 68.868 -0.004 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658