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 2can_1_B DATA FIRST_RESID 38 DATA SEQUENCE PTSDDIFERE YKYGAHNYHP LPVALERGKG IYLWDVEGRK YFDFLSSYSA DATA SEQUENCE VNQGHCHPKI VNALKSQVDK LTLTSRAFYN NVLGEYEEYI TKLFNYHKVL DATA SEQUENCE PMNTGVEAGE TACKLARKWG YTVKGIQKYK AKIVFAAGNF WGRTLSAISS DATA SEQUENCE STDPTSYDGF GPFMPGFDII PYNDLPALER ALQDPNVAAF MVEPIQGEAG DATA SEQUENCE VVVPDPGYLM GVRELCTRHQ VLFIADEIQT GLARTGRWLA VDYENVRPDI DATA SEQUENCE VLLGKALSGG LYPVSAVLCD DDIMLTIKPG EHGSTYGGNP LGCRVAIAAL DATA SEQUENCE EVLEEENLAE NADKLGIILR NELMKLPSDV VTAVRGKGLL NAIVIKETKD DATA SEQUENCE WDAWKVCLRL RDNGLLAKPT HGDIIRFAPP LVIKEDELRE SIEIINKTIL DATA SEQUENCE SF 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 38 P HA 0.000 nan 4.420 nan 0.000 0.216 38 P C 0.000 177.265 177.300 -0.059 0.000 1.155 38 P CA 0.000 63.080 63.100 -0.034 0.000 0.800 38 P CB 0.000 31.684 31.700 -0.027 0.000 0.726 39 T N -1.780 112.726 114.554 -0.080 0.000 2.816 39 T HA 0.453 nan 4.350 nan 0.000 0.282 39 T C 1.270 175.835 174.700 -0.226 0.000 0.993 39 T CA -1.570 60.461 62.100 -0.115 0.000 0.994 39 T CB 1.525 70.335 68.868 -0.096 0.000 1.025 39 T HN 0.056 8.544 8.240 -0.069 -0.290 0.529 40 S N 2.448 117.963 115.700 -0.308 0.000 2.387 40 S HA -0.489 nan 4.470 nan 0.000 0.230 40 S C 1.783 175.683 174.600 -1.165 0.000 1.035 40 S CA 4.169 61.959 58.200 -0.682 0.000 1.014 40 S CB -0.171 62.709 63.200 -0.533 0.000 0.836 40 S HN -0.005 8.422 8.310 -0.207 -0.241 0.466 41 D N 0.030 120.072 120.400 -0.597 0.000 2.144 41 D HA -0.219 nan 4.640 nan 0.000 0.200 41 D C 1.800 177.988 176.300 -0.187 0.000 0.978 41 D CA 3.462 57.264 54.000 -0.329 0.000 0.833 41 D CB -0.569 40.178 40.800 -0.089 0.000 0.961 41 D HN 0.233 8.371 8.370 -0.367 0.011 0.470 42 D N 0.298 120.599 120.400 -0.165 0.000 2.117 42 D HA -0.167 nan 4.640 nan 0.000 0.198 42 D C 2.446 178.725 176.300 -0.036 0.000 0.982 42 D CA 3.153 57.117 54.000 -0.059 0.000 0.828 42 D CB -0.167 40.607 40.800 -0.043 0.000 0.967 42 D HN -0.758 7.385 8.370 -0.198 0.108 0.464 43 I N 0.294 120.784 120.570 -0.132 0.000 2.163 43 I HA -0.556 nan 4.170 nan 0.000 0.243 43 I C 1.921 178.118 176.117 0.132 0.000 1.085 43 I CA 4.078 65.353 61.300 -0.042 0.000 1.347 43 I CB -0.074 37.853 38.000 -0.122 0.000 1.044 43 I HN -0.084 7.981 8.210 -0.241 0.000 0.408 44 F N -2.171 117.810 119.950 0.052 0.000 2.095 44 F HA -0.427 nan 4.527 nan 0.000 0.298 44 F C 2.446 178.295 175.800 0.082 0.000 1.104 44 F CA 0.818 58.850 58.000 0.054 0.000 1.232 44 F CB -1.494 37.519 39.000 0.021 0.000 0.987 44 F HN -0.011 8.057 8.300 -0.387 0.000 0.475 45 E N -0.586 119.762 120.200 0.247 0.000 2.077 45 E HA -0.441 nan 4.350 nan 0.000 0.193 45 E C 2.415 179.136 176.600 0.203 0.000 0.989 45 E CA 3.072 59.576 56.400 0.174 0.000 0.800 45 E CB -0.120 29.641 29.700 0.102 0.000 0.746 45 E HN -0.281 8.195 8.360 0.193 0.000 0.452 46 R N -0.911 119.710 120.500 0.201 0.000 2.073 46 R HA -0.327 nan 4.340 nan 0.000 0.234 46 R C 2.327 178.804 176.300 0.295 0.000 1.134 46 R CA 3.289 59.545 56.100 0.260 0.000 0.952 46 R CB -0.081 30.362 30.300 0.239 0.000 0.850 46 R HN -0.090 8.282 8.270 0.171 0.000 0.433 47 E N -1.042 119.315 120.200 0.263 0.000 2.110 47 E HA -0.380 nan 4.350 nan 0.000 0.193 47 E C 2.333 179.080 176.600 0.244 0.000 0.988 47 E CA 2.923 59.471 56.400 0.247 0.000 0.804 47 E CB -0.200 29.631 29.700 0.219 0.000 0.745 47 E HN -0.571 7.939 8.360 0.250 0.000 0.458 48 Y N -1.389 118.980 120.300 0.115 0.000 2.315 48 Y HA -0.354 nan 4.550 nan 0.000 0.288 48 Y C 0.234 176.230 175.900 0.160 0.000 1.154 48 Y CA 3.149 61.305 58.100 0.093 0.000 1.229 48 Y CB 0.143 38.605 38.460 0.005 0.000 0.980 48 Y HN -0.494 7.999 8.280 0.354 0.000 0.540 49 K N -3.610 116.827 120.400 0.063 0.000 2.166 49 K HA -0.178 nan 4.320 nan 0.000 0.201 49 K C 1.349 177.679 176.600 -0.451 0.000 1.052 49 K CA 1.487 57.612 56.287 -0.271 0.000 0.969 49 K CB 0.677 32.861 32.500 -0.527 0.000 0.761 49 K HN -0.653 7.533 8.250 0.122 0.137 0.459 50 Y N -3.986 116.366 120.300 0.086 0.000 2.467 50 Y HA 0.150 nan 4.550 nan 0.000 0.250 50 Y C 0.098 176.025 175.900 0.045 0.000 1.155 50 Y CA -0.419 57.712 58.100 0.052 0.000 1.249 50 Y CB 1.054 39.546 38.460 0.053 0.000 1.146 50 Y HN -0.508 7.786 8.280 0.023 0.000 0.524 51 G N -1.463 107.434 108.800 0.162 0.000 2.519 51 G HA2 0.241 nan 3.960 nan 0.000 0.307 51 G HA3 0.241 nan 3.960 nan 0.000 0.307 51 G C -2.108 172.853 174.900 0.103 0.000 1.266 51 G CA -1.278 43.904 45.100 0.136 0.000 0.970 51 G HN -0.514 7.861 8.290 0.140 0.000 0.481 52 A N -0.256 122.609 122.820 0.076 0.000 2.466 52 A HA -0.161 nan 4.320 nan 0.000 0.238 52 A C 0.090 177.792 177.584 0.197 0.000 1.074 52 A CA 0.283 52.337 52.037 0.029 0.000 0.774 52 A CB 0.412 19.435 19.000 0.038 0.000 1.015 52 A HN 0.150 8.350 8.150 0.084 0.000 0.498 53 H N 0.697 119.752 119.070 -0.025 0.000 2.704 53 H HA 0.067 nan 4.556 nan 0.000 0.315 53 H C -0.473 174.880 175.328 0.042 0.000 1.117 53 H CA -1.105 54.942 56.048 -0.000 0.000 1.129 53 H CB -0.968 28.750 29.762 -0.073 0.000 1.439 53 H HN 0.299 8.523 8.280 -0.093 0.000 0.528 54 N N -1.555 117.247 118.700 0.170 0.000 2.571 54 N HA -0.193 nan 4.740 nan 0.000 0.189 54 N C -0.926 174.538 175.510 -0.077 0.000 1.154 54 N CA 0.793 53.866 53.050 0.038 0.000 0.907 54 N CB -0.335 38.148 38.487 -0.006 0.000 0.977 54 N HN 0.270 8.669 8.380 0.192 0.096 0.449 55 Y N -2.061 118.298 120.300 0.097 0.000 2.581 55 Y HA 0.119 nan 4.550 nan 0.000 0.345 55 Y C -1.369 174.612 175.900 0.135 0.000 1.036 55 Y CA -0.526 57.631 58.100 0.096 0.000 1.042 55 Y CB 3.027 41.538 38.460 0.085 0.000 1.289 55 Y HN -0.910 7.464 8.280 0.302 0.087 0.471 56 H N 4.235 123.425 119.070 0.200 0.000 2.761 56 H HA 0.352 nan 4.556 nan 0.000 0.263 56 H C -2.403 173.022 175.328 0.161 0.000 1.292 56 H CA -2.096 54.004 56.048 0.087 0.000 1.540 56 H CB 0.803 30.533 29.762 -0.053 0.000 1.569 56 H HN 0.258 8.760 8.280 0.370 0.000 0.510 57 P HA 0.046 nan 4.420 nan 0.000 0.274 57 P C -1.375 175.873 177.300 -0.086 0.000 1.237 57 P CA -0.826 62.252 63.100 -0.036 0.000 0.793 57 P CB 0.799 32.451 31.700 -0.080 0.000 0.977 58 L N 2.240 123.409 121.223 -0.089 0.000 2.455 58 L HA 0.145 nan 4.340 nan 0.000 0.272 58 L C -1.563 175.129 176.870 -0.297 0.000 1.174 58 L CA -2.100 52.571 54.840 -0.282 0.000 0.869 58 L CB -0.056 41.791 42.059 -0.354 0.000 1.130 58 L HN 0.103 8.292 8.230 -0.067 0.000 0.474 59 P HA 0.040 nan 4.420 nan 0.000 0.262 59 P C -1.820 175.431 177.300 -0.081 0.000 1.455 59 P CA 0.201 63.016 63.100 -0.475 0.000 1.217 59 P CB -1.849 29.611 31.700 -0.399 0.000 1.625 60 V N -3.082 116.852 119.914 0.033 0.000 2.817 60 V HA 0.398 nan 4.120 nan 0.000 0.303 60 V C -1.714 174.512 176.094 0.220 0.000 1.151 60 V CA -1.836 60.530 62.300 0.111 0.000 0.929 60 V CB 3.222 34.927 31.823 -0.196 0.000 1.030 60 V HN -0.269 7.851 8.190 -0.078 0.023 0.427 61 A N 5.984 128.929 122.820 0.208 0.000 2.508 61 A HA 0.495 nan 4.320 nan 0.000 0.336 61 A C -1.501 176.131 177.584 0.080 0.000 1.360 61 A CA -1.321 50.803 52.037 0.145 0.000 0.841 61 A CB 0.230 19.246 19.000 0.026 0.000 1.136 61 A HN 0.358 8.608 8.150 0.167 0.000 0.489 62 L N 1.694 122.952 121.223 0.059 0.000 2.439 62 L HA 0.181 nan 4.340 nan 0.000 0.261 62 L C 0.609 177.524 176.870 0.076 0.000 1.153 62 L CA -0.371 54.510 54.840 0.068 0.000 0.808 62 L CB -0.153 41.921 42.059 0.024 0.000 1.126 62 L HN 0.254 8.512 8.230 0.047 0.000 0.460 63 E N 0.217 120.478 120.200 0.102 0.000 2.679 63 E HA 0.145 nan 4.350 nan 0.000 0.221 63 E C -0.592 176.062 176.600 0.090 0.000 0.928 63 E CA -0.247 56.201 56.400 0.080 0.000 1.296 63 E CB 2.251 31.987 29.700 0.061 0.000 1.235 63 E HN 0.528 8.975 8.360 0.144 0.000 0.622 64 R N -0.034 120.554 120.500 0.147 0.000 2.629 64 R HA 0.359 nan 4.340 nan 0.000 0.266 64 R C -2.458 174.018 176.300 0.295 0.000 1.051 64 R CA 0.339 56.542 56.100 0.171 0.000 0.895 64 R CB 3.779 34.136 30.300 0.095 0.000 1.246 64 R HN -0.742 7.638 8.270 0.183 0.000 0.459 65 G N 1.303 110.248 108.800 0.242 0.000 2.746 65 G HA2 0.388 nan 3.960 nan 0.000 0.297 65 G HA3 0.388 nan 3.960 nan 0.000 0.297 65 G C -2.639 172.437 174.900 0.294 0.000 1.426 65 G CA 0.497 45.694 45.100 0.162 0.000 0.989 65 G HN 0.094 8.497 8.290 0.187 0.000 0.520 66 K N 3.715 124.362 120.400 0.412 0.000 2.553 66 K HA 0.490 nan 4.320 nan 0.000 0.250 66 K C -0.144 176.653 176.600 0.328 0.000 0.953 66 K CA -2.202 54.312 56.287 0.378 0.000 0.800 66 K CB 2.084 34.825 32.500 0.400 0.000 1.243 66 K HN 0.525 9.002 8.250 0.378 0.000 0.435 67 G N 7.593 116.551 108.800 0.263 0.000 2.622 67 G HA2 -0.456 nan 3.960 nan 0.000 0.307 67 G HA3 -0.456 nan 3.960 nan 0.000 0.307 67 G C -0.041 174.951 174.900 0.153 0.000 1.226 67 G CA 1.743 46.953 45.100 0.183 0.000 0.997 67 G HN 0.307 8.749 8.290 0.254 0.000 0.551 68 I N -0.618 119.927 120.570 -0.041 0.000 3.684 68 I HA 0.285 nan 4.170 nan 0.000 0.304 68 I C -1.071 174.841 176.117 -0.342 0.000 1.278 68 I CA 0.047 61.242 61.300 -0.175 0.000 1.272 68 I CB -0.182 37.642 38.000 -0.293 0.000 1.029 68 I HN -0.237 7.926 8.210 -0.079 0.000 0.458 69 Y N -0.902 119.323 120.300 -0.125 0.000 2.457 69 Y HA 0.616 nan 4.550 nan 0.000 0.333 69 Y C -1.709 173.862 175.900 -0.548 0.000 1.119 69 Y CA -1.231 56.587 58.100 -0.471 0.000 1.143 69 Y CB 2.479 40.422 38.460 -0.861 0.000 1.230 69 Y HN -0.278 7.825 8.280 -0.009 0.172 0.469 70 L N -0.958 120.011 121.223 -0.424 0.000 2.436 70 L HA 0.598 nan 4.340 nan 0.000 0.268 70 L C -1.851 174.898 176.870 -0.200 0.000 0.974 70 L CA -0.792 53.902 54.840 -0.243 0.000 0.826 70 L CB 4.074 46.041 42.059 -0.154 0.000 1.291 70 L HN 0.433 8.441 8.230 -0.371 0.000 0.406 71 W N 1.431 122.783 121.300 0.087 0.000 2.529 71 W HA 0.429 nan 4.660 nan 0.000 0.321 71 W C -0.995 175.596 176.519 0.121 0.000 1.047 71 W CA -1.156 56.249 57.345 0.101 0.000 1.216 71 W CB 3.030 32.495 29.460 0.008 0.000 1.357 71 W HN 1.098 9.444 8.180 0.454 0.107 0.489 72 D N 0.994 121.623 120.400 0.382 0.000 2.478 72 D HA 0.387 nan 4.640 nan 0.000 0.269 72 D C 1.906 178.310 176.300 0.175 0.000 1.232 72 D CA -1.365 52.790 54.000 0.259 0.000 1.059 72 D CB 0.782 41.762 40.800 0.301 0.000 1.104 72 D HN 0.393 9.017 8.370 0.424 0.000 0.566 73 V N -8.435 111.539 119.914 0.100 0.000 3.078 73 V HA -0.079 nan 4.120 nan 0.000 0.265 73 V C 0.925 177.044 176.094 0.041 0.000 1.122 73 V CA 2.526 64.856 62.300 0.050 0.000 1.141 73 V CB -0.856 30.968 31.823 0.002 0.000 0.735 73 V HN -0.078 8.164 8.190 0.086 0.000 0.498 74 E N 0.382 120.619 120.200 0.061 0.000 2.463 74 E HA 0.158 nan 4.350 nan 0.000 0.193 74 E C 0.364 176.994 176.600 0.049 0.000 1.041 74 E CA -0.652 55.773 56.400 0.041 0.000 0.879 74 E CB -0.029 29.694 29.700 0.038 0.000 0.997 74 E HN -0.301 8.278 8.360 0.092 -0.164 0.478 75 G N -1.638 107.214 108.800 0.087 0.000 2.199 75 G HA2 -0.494 nan 3.960 nan 0.000 0.254 75 G HA3 -0.494 nan 3.960 nan 0.000 0.254 75 G C -0.094 174.895 174.900 0.148 0.000 0.982 75 G CA 0.264 45.429 45.100 0.109 0.000 0.632 75 G HN -0.318 7.896 8.290 0.110 0.142 0.529 76 R N 0.436 120.972 120.500 0.060 0.000 2.522 76 R HA -0.142 nan 4.340 nan 0.000 0.284 76 R C -0.785 175.341 176.300 -0.290 0.000 1.032 76 R CA 0.380 56.393 56.100 -0.145 0.000 1.049 76 R CB 0.668 30.832 30.300 -0.228 0.000 0.956 76 R HN -0.436 7.972 8.270 0.076 -0.092 0.422 77 K N 3.458 123.570 120.400 -0.480 0.000 2.118 77 K HA 0.382 nan 4.320 nan 0.000 0.267 77 K C -0.850 175.272 176.600 -0.797 0.000 0.991 77 K CA -0.632 55.214 56.287 -0.735 0.000 0.916 77 K CB 1.741 33.862 32.500 -0.630 0.000 1.041 77 K HN 0.050 8.066 8.250 -0.390 0.000 0.455 78 Y N 0.632 120.685 120.300 -0.412 0.000 2.562 78 Y HA 0.202 nan 4.550 nan 0.000 0.345 78 Y C -1.023 174.819 175.900 -0.096 0.000 1.045 78 Y CA -1.495 56.507 58.100 -0.164 0.000 1.028 78 Y CB 3.979 42.387 38.460 -0.086 0.000 1.297 78 Y HN 0.408 8.388 8.280 -0.501 0.000 0.463 79 F N 1.190 121.273 119.950 0.222 0.000 2.410 79 F HA 0.178 nan 4.527 nan 0.000 0.348 79 F C -0.997 174.930 175.800 0.211 0.000 1.106 79 F CA 0.254 58.353 58.000 0.165 0.000 1.163 79 F CB 1.502 40.628 39.000 0.210 0.000 1.129 79 F HN 0.538 9.014 8.300 0.476 0.110 0.516 80 D N 4.771 125.361 120.400 0.316 0.000 2.396 80 D HA 0.139 nan 4.640 nan 0.000 0.225 80 D C -0.816 175.640 176.300 0.260 0.000 1.121 80 D CA -1.207 52.937 54.000 0.240 0.000 0.853 80 D CB 0.659 41.563 40.800 0.174 0.000 1.043 80 D HN 0.296 8.783 8.370 0.195 0.000 0.500 81 F N 4.827 124.831 119.950 0.091 0.000 2.837 81 F HA 0.214 nan 4.527 nan 0.000 0.298 81 F C -0.945 174.883 175.800 0.048 0.000 1.161 81 F CA -0.650 57.413 58.000 0.105 0.000 1.353 81 F CB 0.525 39.651 39.000 0.209 0.000 0.951 81 F HN 0.558 9.106 8.300 0.413 0.000 0.508 82 L N -0.661 120.597 121.223 0.058 0.000 2.885 82 L HA 0.296 nan 4.340 nan 0.000 0.251 82 L C -0.705 176.111 176.870 -0.089 0.000 1.071 82 L CA 0.030 54.838 54.840 -0.053 0.000 0.956 82 L CB 2.223 44.193 42.059 -0.148 0.000 1.483 82 L HN -0.360 8.047 8.230 0.061 -0.139 0.525 83 S N -0.408 115.257 115.700 -0.058 0.000 3.533 83 S HA -0.434 nan 4.470 nan 0.000 0.347 83 S C -0.690 173.853 174.600 -0.096 0.000 1.101 83 S CA 0.802 58.954 58.200 -0.079 0.000 1.009 83 S CB -1.477 61.673 63.200 -0.083 0.000 0.916 83 S HN -0.525 8.101 8.310 -0.011 -0.322 0.496 84 S N -1.581 114.038 115.700 -0.134 0.000 3.628 84 S HA -0.422 nan 4.470 nan 0.000 0.373 84 S C -0.093 174.488 174.600 -0.032 0.000 0.968 84 S CA 0.646 58.756 58.200 -0.149 0.000 1.215 84 S CB -1.205 61.972 63.200 -0.039 0.000 0.912 84 S HN 0.386 8.594 8.310 -0.138 0.019 0.495 85 Y N -3.451 116.849 120.300 0.001 0.000 3.589 85 Y HA -0.386 nan 4.550 nan 0.000 0.218 85 Y C -0.424 175.480 175.900 0.007 0.000 1.234 85 Y CA 0.350 58.450 58.100 0.001 0.000 1.576 85 Y CB -2.993 35.471 38.460 0.006 0.000 1.487 85 Y HN -0.105 7.943 8.280 -0.386 0.000 0.616 86 S N -4.304 111.449 115.700 0.088 0.000 3.315 86 S HA -0.464 nan 4.470 nan 0.000 0.283 86 S C -0.649 173.981 174.600 0.051 0.000 1.279 86 S CA 0.427 58.661 58.200 0.057 0.000 0.984 86 S CB -0.318 62.929 63.200 0.078 0.000 1.184 86 S HN -0.281 7.947 8.310 0.027 0.098 0.653 87 A N -0.900 121.947 122.820 0.045 0.000 1.975 87 A HA 0.009 nan 4.320 nan 0.000 0.215 87 A C 0.773 178.350 177.584 -0.012 0.000 1.170 87 A CA 2.074 54.133 52.037 0.037 0.000 0.656 87 A CB 0.591 19.624 19.000 0.055 0.000 0.821 87 A HN -0.314 7.713 8.150 0.046 0.151 0.449 88 V N -5.225 114.641 119.914 -0.080 0.000 2.584 88 V HA 0.299 nan 4.120 nan 0.000 0.319 88 V C -0.110 175.919 176.094 -0.107 0.000 1.363 88 V CA -2.189 60.025 62.300 -0.145 0.000 1.518 88 V CB -2.951 28.637 31.823 -0.391 0.000 1.514 88 V HN -0.309 7.829 8.190 -0.086 0.000 0.553 89 N N 3.994 122.665 118.700 -0.048 0.000 2.223 89 N HA -0.237 nan 4.740 nan 0.000 0.185 89 N C 1.137 176.626 175.510 -0.035 0.000 1.016 89 N CA 3.249 56.276 53.050 -0.038 0.000 0.863 89 N CB -0.237 38.242 38.487 -0.013 0.000 0.983 89 N HN -0.233 8.066 8.380 -0.024 0.066 0.429 90 Q N -3.286 116.499 119.800 -0.025 0.000 2.365 90 Q HA -0.011 nan 4.340 nan 0.000 0.203 90 Q C 0.116 176.166 176.000 0.083 0.000 0.929 90 Q CA -0.567 55.234 55.803 -0.003 0.000 0.948 90 Q CB -0.396 28.292 28.738 -0.083 0.000 1.043 90 Q HN -0.030 8.198 8.270 -0.026 0.027 0.505 91 G N -2.442 106.373 108.800 0.025 0.000 2.705 91 G HA2 -0.373 nan 3.960 nan 0.000 0.686 91 G HA3 -0.373 nan 3.960 nan 0.000 0.686 91 G C -0.854 174.089 174.900 0.071 0.000 1.285 91 G CA -0.554 44.583 45.100 0.063 0.000 0.800 91 G HN -0.532 7.540 8.290 -0.034 0.197 0.611 92 H N 0.543 119.671 119.070 0.097 0.000 2.897 92 H HA -0.123 nan 4.556 nan 0.000 0.347 92 H C 1.508 176.915 175.328 0.131 0.000 1.068 92 H CA 1.480 57.595 56.048 0.111 0.000 1.426 92 H CB 0.635 30.468 29.762 0.118 0.000 1.410 92 H HN 0.100 8.477 8.280 0.326 0.099 0.597 93 C N 1.542 120.981 119.300 0.231 0.000 3.744 93 C HA -0.348 nan 4.460 nan 0.000 0.290 93 C C -0.025 175.063 174.990 0.163 0.000 1.385 93 C CA 0.308 59.433 59.018 0.178 0.000 2.099 93 C CB -2.892 24.943 27.740 0.158 0.000 1.359 93 C HN 1.077 9.430 8.230 0.206 0.000 0.629 94 H N 3.930 123.055 119.070 0.092 0.000 3.046 94 H HA -0.006 nan 4.556 nan 0.000 0.303 94 H C -0.571 174.799 175.328 0.070 0.000 1.002 94 H CA 0.410 56.505 56.048 0.079 0.000 1.460 94 H CB 0.587 30.388 29.762 0.065 0.000 1.493 94 H HN -0.253 8.184 8.280 0.262 0.000 0.559 95 P HA -0.392 nan 4.420 nan 0.000 0.217 95 P C 1.422 178.784 177.300 0.103 0.000 1.158 95 P CA 3.155 66.228 63.100 -0.045 0.000 0.887 95 P CB 0.204 31.819 31.700 -0.142 0.000 0.792 96 K N -2.431 118.130 120.400 0.268 0.000 2.097 96 K HA -0.220 nan 4.320 nan 0.000 0.206 96 K C 2.524 179.243 176.600 0.199 0.000 1.049 96 K CA 2.959 59.403 56.287 0.260 0.000 0.933 96 K CB -0.245 32.448 32.500 0.322 0.000 0.717 96 K HN -0.716 7.695 8.250 0.268 0.000 0.442 97 I N -1.156 119.562 120.570 0.246 0.000 2.286 97 I HA -0.364 nan 4.170 nan 0.000 0.245 97 I C 1.661 177.850 176.117 0.119 0.000 1.104 97 I CA 3.534 64.920 61.300 0.143 0.000 1.397 97 I CB 0.146 38.224 38.000 0.129 0.000 1.072 97 I HN -0.736 7.727 8.210 0.421 0.000 0.417 98 V N 0.902 120.895 119.914 0.131 0.000 2.343 98 V HA -0.537 nan 4.120 nan 0.000 0.247 98 V C 1.985 178.124 176.094 0.074 0.000 1.051 98 V CA 4.904 67.262 62.300 0.096 0.000 1.036 98 V CB -1.178 30.697 31.823 0.087 0.000 0.654 98 V HN 0.264 8.555 8.190 0.167 0.000 0.451 99 N N -0.747 117.997 118.700 0.073 0.000 2.120 99 N HA -0.271 nan 4.740 nan 0.000 0.188 99 N C 2.026 177.564 175.510 0.047 0.000 1.024 99 N CA 3.096 56.179 53.050 0.054 0.000 0.852 99 N CB -0.790 37.729 38.487 0.053 0.000 1.003 99 N HN 0.105 8.532 8.380 0.090 0.006 0.424 100 A N 0.099 122.950 122.820 0.052 0.000 1.933 100 A HA -0.212 nan 4.320 nan 0.000 0.218 100 A C 2.098 179.698 177.584 0.026 0.000 1.175 100 A CA 2.865 54.924 52.037 0.036 0.000 0.628 100 A CB -0.626 18.397 19.000 0.038 0.000 0.814 100 A HN -0.610 7.502 8.150 0.068 0.079 0.444 101 L N -1.446 119.799 121.223 0.038 0.000 2.005 101 L HA -0.323 nan 4.340 nan 0.000 0.207 101 L C 1.723 178.616 176.870 0.038 0.000 1.072 101 L CA 3.081 57.943 54.840 0.037 0.000 0.744 101 L CB -0.235 41.864 42.059 0.067 0.000 0.895 101 L HN -0.282 7.979 8.230 0.053 0.000 0.433 102 K N -2.430 117.995 120.400 0.043 0.000 2.152 102 K HA -0.434 nan 4.320 nan 0.000 0.206 102 K C 2.485 179.102 176.600 0.029 0.000 1.048 102 K CA 3.378 59.688 56.287 0.037 0.000 0.933 102 K CB -0.403 32.119 32.500 0.036 0.000 0.721 102 K HN -0.129 8.150 8.250 0.048 0.000 0.447 103 S N -1.100 114.615 115.700 0.025 0.000 2.338 103 S HA -0.241 nan 4.470 nan 0.000 0.218 103 S C 2.359 176.968 174.600 0.016 0.000 1.032 103 S CA 2.692 60.903 58.200 0.019 0.000 0.999 103 S CB 0.047 63.257 63.200 0.018 0.000 0.905 103 S HN -0.248 8.061 8.310 0.028 0.017 0.439 104 Q N 1.858 121.665 119.800 0.011 0.000 2.170 104 Q HA -0.225 nan 4.340 nan 0.000 0.203 104 Q C 2.071 178.078 176.000 0.013 0.000 0.976 104 Q CA 2.536 58.342 55.803 0.005 0.000 0.858 104 Q CB -0.109 28.621 28.738 -0.013 0.000 0.907 104 Q HN -0.452 7.824 8.270 0.010 0.000 0.433 105 V N -5.282 114.645 119.914 0.022 0.000 2.688 105 V HA -0.248 nan 4.120 nan 0.000 0.256 105 V C 1.312 177.425 176.094 0.031 0.000 1.084 105 V CA 2.846 65.167 62.300 0.035 0.000 1.103 105 V CB -1.334 30.517 31.823 0.048 0.000 0.688 105 V HN -0.208 7.996 8.190 0.023 0.000 0.480 106 D N -0.383 120.032 120.400 0.024 0.000 2.323 106 D HA -0.004 nan 4.640 nan 0.000 0.209 106 D C 0.832 177.143 176.300 0.018 0.000 0.973 106 D CA 1.744 55.757 54.000 0.021 0.000 0.874 106 D CB 0.256 41.067 40.800 0.018 0.000 0.930 106 D HN -0.255 8.086 8.370 0.022 0.043 0.521 107 K N -1.678 118.733 120.400 0.017 0.000 2.102 107 K HA 0.090 nan 4.320 nan 0.000 0.206 107 K C -0.104 176.506 176.600 0.017 0.000 1.031 107 K CA 1.124 57.420 56.287 0.015 0.000 0.962 107 K CB 2.049 34.556 32.500 0.012 0.000 0.811 107 K HN -0.451 7.642 8.250 0.017 0.167 0.453 108 L N -3.480 117.754 121.223 0.019 0.000 2.612 108 L HA 0.118 nan 4.340 nan 0.000 0.256 108 L C -1.755 175.129 176.870 0.023 0.000 0.949 108 L CA -0.355 54.499 54.840 0.022 0.000 0.867 108 L CB 2.575 44.648 42.059 0.022 0.000 1.417 108 L HN -0.414 7.826 8.230 0.016 0.000 0.414 109 T N -3.056 111.519 114.554 0.035 0.000 3.115 109 T HA 0.133 nan 4.350 nan 0.000 0.256 109 T C -1.413 173.315 174.700 0.047 0.000 0.970 109 T CA 0.106 62.236 62.100 0.050 0.000 1.010 109 T CB 1.315 70.240 68.868 0.095 0.000 1.151 109 T HN 0.050 8.312 8.240 0.037 0.000 0.479 110 L N 0.401 121.639 121.223 0.026 0.000 2.543 110 L HA 0.293 nan 4.340 nan 0.000 0.265 110 L C -1.095 175.766 176.870 -0.015 0.000 0.945 110 L CA 0.733 55.556 54.840 -0.028 0.000 0.869 110 L CB 2.281 44.267 42.059 -0.122 0.000 1.294 110 L HN -0.565 7.684 8.230 0.032 0.000 0.405 111 T N 2.915 117.469 114.554 -0.001 0.000 2.958 111 T HA 0.194 nan 4.350 nan 0.000 0.256 111 T C -0.533 174.177 174.700 0.016 0.000 0.983 111 T CA -0.723 61.424 62.100 0.079 0.000 0.924 111 T CB -0.161 68.800 68.868 0.155 0.000 1.136 111 T HN 0.290 8.520 8.240 -0.017 0.000 0.506 112 S N 1.538 117.188 115.700 -0.084 0.000 3.661 112 S HA -0.236 nan 4.470 nan 0.000 0.772 112 S C 0.726 175.238 174.600 -0.147 0.000 1.194 112 S CA 0.895 59.003 58.200 -0.153 0.000 1.148 112 S CB -0.281 62.799 63.200 -0.199 0.000 0.564 112 S HN -0.446 7.812 8.310 -0.086 0.000 0.482 113 R N 1.836 122.234 120.500 -0.170 0.000 2.325 113 R HA 0.005 nan 4.340 nan 0.000 0.214 113 R C 0.368 176.508 176.300 -0.266 0.000 0.961 113 R CA 0.656 56.644 56.100 -0.186 0.000 1.086 113 R CB -0.863 29.344 30.300 -0.154 0.000 1.037 113 R HN 0.568 8.738 8.270 -0.165 0.000 0.493 114 A N -0.671 121.928 122.820 -0.367 0.000 2.014 114 A HA -0.097 nan 4.320 nan 0.000 0.218 114 A C -0.693 176.559 177.584 -0.553 0.000 1.163 114 A CA 1.767 53.482 52.037 -0.537 0.000 0.652 114 A CB 0.567 19.089 19.000 -0.797 0.000 0.808 114 A HN -0.350 7.488 8.150 -0.364 0.094 0.449 115 F N -5.371 114.533 119.950 -0.076 0.000 2.611 115 F HA 0.290 nan 4.527 nan 0.000 0.324 115 F C -0.873 174.906 175.800 -0.035 0.000 1.061 115 F CA -2.130 55.864 58.000 -0.010 0.000 0.954 115 F CB 2.111 41.129 39.000 0.030 0.000 1.301 115 F HN -0.775 7.335 8.300 -0.261 0.033 0.482 116 Y N 0.370 120.796 120.300 0.209 0.000 2.354 116 Y HA 0.015 nan 4.550 nan 0.000 0.322 116 Y C -0.042 175.917 175.900 0.099 0.000 1.253 116 Y CA 0.356 58.525 58.100 0.115 0.000 1.272 116 Y CB 0.825 39.334 38.460 0.082 0.000 1.255 116 Y HN 0.171 8.809 8.280 0.596 0.000 0.500 117 N N -0.581 118.267 118.700 0.246 0.000 2.380 117 N HA 0.138 nan 4.740 nan 0.000 0.290 117 N C -0.412 175.179 175.510 0.135 0.000 1.236 117 N CA -1.441 51.698 53.050 0.149 0.000 0.780 117 N CB 2.323 40.869 38.487 0.098 0.000 1.438 117 N HN -0.260 8.278 8.380 0.264 0.000 0.491 118 N N -2.264 116.489 118.700 0.087 0.000 2.409 118 N HA -0.157 nan 4.740 nan 0.000 0.179 118 N C 1.080 176.633 175.510 0.071 0.000 1.032 118 N CA 1.324 54.415 53.050 0.068 0.000 0.898 118 N CB -0.182 38.330 38.487 0.041 0.000 0.971 118 N HN 0.240 8.664 8.380 0.072 0.000 0.441 119 V N 0.134 120.089 119.914 0.070 0.000 2.346 119 V HA -0.136 nan 4.120 nan 0.000 0.244 119 V C 1.796 177.960 176.094 0.116 0.000 1.037 119 V CA 2.516 64.860 62.300 0.073 0.000 1.029 119 V CB -0.459 31.387 31.823 0.039 0.000 0.663 119 V HN -0.351 8.039 8.190 0.064 -0.162 0.454 120 L N 0.206 121.502 121.223 0.121 0.000 2.010 120 L HA -0.442 nan 4.340 nan 0.000 0.219 120 L C 1.663 178.658 176.870 0.209 0.000 1.077 120 L CA 3.374 58.318 54.840 0.173 0.000 0.773 120 L CB -0.645 41.497 42.059 0.139 0.000 0.892 120 L HN 0.131 8.775 8.230 0.097 -0.356 0.436 121 G N -4.908 103.990 108.800 0.163 0.000 2.448 121 G HA2 -0.461 nan 3.960 nan 0.000 0.219 121 G HA3 -0.461 nan 3.960 nan 0.000 0.219 121 G C 0.930 175.901 174.900 0.119 0.000 1.127 121 G CA 1.893 47.074 45.100 0.135 0.000 0.766 121 G HN 0.366 8.750 8.290 0.156 0.000 0.552 122 E N 2.850 123.128 120.200 0.130 0.000 2.047 122 E HA -0.286 nan 4.350 nan 0.000 0.191 122 E C 1.445 178.151 176.600 0.177 0.000 0.987 122 E CA 2.576 59.046 56.400 0.117 0.000 0.799 122 E CB -0.074 29.682 29.700 0.094 0.000 0.752 122 E HN -0.476 7.836 8.360 0.134 0.128 0.449 123 Y N 0.256 120.617 120.300 0.101 0.000 2.114 123 Y HA -0.476 nan 4.550 nan 0.000 0.284 123 Y C 1.781 177.770 175.900 0.150 0.000 1.143 123 Y CA 3.094 61.283 58.100 0.148 0.000 1.135 123 Y CB -0.022 38.502 38.460 0.106 0.000 0.980 123 Y HN -0.396 8.070 8.280 0.311 0.000 0.499 124 E N -1.993 118.158 120.200 -0.082 0.000 2.070 124 E HA -0.571 nan 4.350 nan 0.000 0.197 124 E C 2.179 178.705 176.600 -0.123 0.000 1.004 124 E CA 3.397 59.687 56.400 -0.183 0.000 0.805 124 E CB -0.484 29.221 29.700 0.008 0.000 0.744 124 E HN 0.074 8.539 8.360 0.174 0.000 0.451 125 E N -0.809 119.384 120.200 -0.013 0.000 2.110 125 E HA -0.340 nan 4.350 nan 0.000 0.193 125 E C 2.234 178.854 176.600 0.033 0.000 0.988 125 E CA 2.796 59.204 56.400 0.014 0.000 0.804 125 E CB 0.013 29.737 29.700 0.041 0.000 0.745 125 E HN -0.595 7.782 8.360 0.028 0.000 0.458 126 Y N 0.428 120.666 120.300 -0.103 0.000 2.089 126 Y HA -0.305 nan 4.550 nan 0.000 0.282 126 Y C 1.772 177.582 175.900 -0.151 0.000 1.139 126 Y CA 2.110 60.148 58.100 -0.104 0.000 1.123 126 Y CB 0.073 38.501 38.460 -0.054 0.000 0.980 126 Y HN -0.588 7.777 8.280 0.142 0.000 0.493 127 I N -1.951 118.379 120.570 -0.401 0.000 2.315 127 I HA -0.541 nan 4.170 nan 0.000 0.248 127 I C 1.345 177.366 176.117 -0.160 0.000 1.117 127 I CA 3.418 64.471 61.300 -0.412 0.000 1.404 127 I CB 0.045 37.763 38.000 -0.470 0.000 1.071 127 I HN 0.250 8.249 8.210 -0.353 0.000 0.419 128 T N -0.925 113.553 114.554 -0.127 0.000 2.777 128 T HA -0.327 nan 4.350 nan 0.000 0.266 128 T C 2.183 176.869 174.700 -0.025 0.000 1.040 128 T CA 3.983 66.076 62.100 -0.010 0.000 1.141 128 T CB -0.753 68.119 68.868 0.007 0.000 0.868 128 T HN 0.030 8.171 8.240 -0.165 0.000 0.444 129 K N 1.118 121.468 120.400 -0.082 0.000 2.103 129 K HA -0.206 nan 4.320 nan 0.000 0.204 129 K C 1.968 178.442 176.600 -0.210 0.000 1.052 129 K CA 2.473 58.700 56.287 -0.101 0.000 0.945 129 K CB -0.239 32.227 32.500 -0.056 0.000 0.722 129 K HN -0.592 7.609 8.250 -0.082 0.000 0.443 130 L N -0.946 120.061 121.223 -0.361 0.000 2.017 130 L HA -0.242 nan 4.340 nan 0.000 0.208 130 L C 1.237 177.636 176.870 -0.785 0.000 1.073 130 L CA 2.967 57.404 54.840 -0.672 0.000 0.745 130 L CB 0.301 41.730 42.059 -1.050 0.000 0.894 130 L HN -0.288 7.734 8.230 -0.347 0.000 0.432 131 F N -5.728 114.025 119.950 -0.329 0.000 2.776 131 F HA 0.077 nan 4.527 nan 0.000 0.300 131 F C -0.394 175.290 175.800 -0.193 0.000 1.116 131 F CA 0.487 58.359 58.000 -0.214 0.000 1.375 131 F CB 0.284 39.239 39.000 -0.076 0.000 1.109 131 F HN -0.468 7.722 8.300 -0.183 0.000 0.585 132 N N -1.222 117.422 118.700 -0.094 0.000 2.699 132 N HA -0.407 nan 4.740 nan 0.000 0.257 132 N C -1.841 173.426 175.510 -0.404 0.000 1.077 132 N CA 0.762 53.686 53.050 -0.210 0.000 0.702 132 N CB -0.604 37.725 38.487 -0.263 0.000 0.886 132 N HN -0.322 7.834 8.380 -0.100 0.163 0.549 133 Y N -2.213 118.072 120.300 -0.026 0.000 2.581 133 Y HA 0.429 nan 4.550 nan 0.000 0.345 133 Y C 0.330 176.261 175.900 0.053 0.000 1.036 133 Y CA -1.182 56.886 58.100 -0.054 0.000 1.042 133 Y CB 2.724 41.136 38.460 -0.080 0.000 1.289 133 Y HN -0.054 8.280 8.280 0.091 0.000 0.471 134 H N 0.912 120.059 119.070 0.127 0.000 2.293 134 H HA -0.096 nan 4.556 nan 0.000 0.300 134 H C -0.425 174.930 175.328 0.045 0.000 1.082 134 H CA 2.625 58.708 56.048 0.058 0.000 1.308 134 H CB 0.883 30.674 29.762 0.049 0.000 1.375 134 H HN 0.204 8.781 8.280 0.118 -0.226 0.495 135 K N -5.293 115.216 120.400 0.182 0.000 2.439 135 K HA 0.361 nan 4.320 nan 0.000 0.260 135 K C -2.083 174.532 176.600 0.025 0.000 1.032 135 K CA -1.315 55.023 56.287 0.085 0.000 0.882 135 K CB 4.838 37.386 32.500 0.080 0.000 1.420 135 K HN -0.456 7.905 8.250 0.184 0.000 0.455 136 V N 0.021 119.937 119.914 0.004 0.000 2.925 136 V HA 0.668 nan 4.120 nan 0.000 0.311 136 V C -2.440 173.666 176.094 0.021 0.000 1.104 136 V CA -1.723 60.563 62.300 -0.023 0.000 0.954 136 V CB 2.469 34.256 31.823 -0.060 0.000 1.022 136 V HN -0.245 7.957 8.190 0.020 0.000 0.427 137 L N 7.288 128.525 121.223 0.024 0.000 2.316 137 L HA 0.743 nan 4.340 nan 0.000 0.280 137 L C -2.531 174.389 176.870 0.084 0.000 1.006 137 L CA -4.315 50.562 54.840 0.063 0.000 0.836 137 L CB 2.349 44.449 42.059 0.069 0.000 1.221 137 L HN 0.446 8.670 8.230 -0.011 0.000 0.418 138 P HA 0.472 nan 4.420 nan 0.000 0.286 138 P C -1.918 175.436 177.300 0.090 0.000 1.269 138 P CA -0.665 62.514 63.100 0.131 0.000 0.787 138 P CB 1.028 32.825 31.700 0.162 0.000 0.920 139 M N 1.642 121.296 119.600 0.091 0.000 2.846 139 M HA 0.481 nan 4.480 nan 0.000 0.282 139 M C 0.210 176.565 176.300 0.091 0.000 1.266 139 M CA -2.035 53.315 55.300 0.083 0.000 0.766 139 M CB 3.994 36.648 32.600 0.091 0.000 1.739 139 M HN 0.119 8.468 8.290 0.098 0.000 0.442 140 N N 1.427 120.179 118.700 0.087 0.000 2.523 140 N HA 0.230 nan 4.740 nan 0.000 0.209 140 N C 0.311 175.858 175.510 0.062 0.000 1.039 140 N CA 1.732 54.833 53.050 0.085 0.000 1.002 140 N CB 1.803 40.330 38.487 0.066 0.000 1.270 140 N HN 0.289 8.979 8.380 0.079 -0.263 0.481 141 T N -4.090 110.493 114.554 0.048 0.000 2.881 141 T HA 0.327 nan 4.350 nan 0.000 0.278 141 T C 1.298 176.036 174.700 0.063 0.000 0.982 141 T CA -1.329 60.798 62.100 0.044 0.000 0.989 141 T CB 2.915 71.799 68.868 0.026 0.000 1.058 141 T HN -0.670 7.816 8.240 0.047 -0.218 0.529 142 G N -0.824 108.016 108.800 0.067 0.000 2.418 142 G HA2 -0.236 nan 3.960 nan 0.000 0.217 142 G HA3 -0.236 nan 3.960 nan 0.000 0.217 142 G C 1.530 176.495 174.900 0.110 0.000 1.158 142 G CA 2.066 47.216 45.100 0.084 0.000 0.771 142 G HN 0.254 8.581 8.290 0.062 0.000 0.545 143 V N 1.989 121.954 119.914 0.086 0.000 2.392 143 V HA -0.381 nan 4.120 nan 0.000 0.249 143 V C 2.250 178.449 176.094 0.175 0.000 1.059 143 V CA 2.557 64.923 62.300 0.109 0.000 1.051 143 V CB -0.752 31.046 31.823 -0.041 0.000 0.658 143 V HN -0.054 8.166 8.190 0.051 0.000 0.455 144 E N -0.771 119.500 120.200 0.118 0.000 2.110 144 E HA -0.409 nan 4.350 nan 0.000 0.193 144 E C 2.141 178.828 176.600 0.144 0.000 0.988 144 E CA 3.150 59.630 56.400 0.134 0.000 0.804 144 E CB -0.564 29.197 29.700 0.102 0.000 0.745 144 E HN -0.428 7.973 8.360 0.084 0.010 0.458 145 A N -0.561 122.326 122.820 0.112 0.000 1.930 145 A HA -0.141 nan 4.320 nan 0.000 0.217 145 A C 2.205 179.813 177.584 0.040 0.000 1.175 145 A CA 2.804 54.880 52.037 0.064 0.000 0.627 145 A CB -0.861 18.157 19.000 0.030 0.000 0.815 145 A HN -0.555 7.544 8.150 0.106 0.115 0.443 146 G N -1.608 107.261 108.800 0.115 0.000 2.404 146 G HA2 -0.363 nan 3.960 nan 0.000 0.215 146 G HA3 -0.363 nan 3.960 nan 0.000 0.215 146 G C 1.501 176.423 174.900 0.037 0.000 1.174 146 G CA 2.018 47.135 45.100 0.028 0.000 0.780 146 G HN -0.283 8.024 8.290 0.185 0.094 0.537 147 E N 1.358 121.742 120.200 0.307 0.000 2.085 147 E HA -0.368 nan 4.350 nan 0.000 0.194 147 E C 2.709 179.358 176.600 0.082 0.000 0.994 147 E CA 3.584 60.145 56.400 0.267 0.000 0.801 147 E CB -0.330 29.525 29.700 0.258 0.000 0.743 147 E HN 0.283 8.865 8.360 0.371 0.000 0.453 148 T N 1.618 116.200 114.554 0.047 0.000 2.788 148 T HA -0.195 nan 4.350 nan 0.000 0.268 148 T C 1.791 176.420 174.700 -0.117 0.000 1.044 148 T CA 4.532 66.582 62.100 -0.082 0.000 1.139 148 T CB -0.580 68.326 68.868 0.063 0.000 0.867 148 T HN -0.045 8.254 8.240 0.108 0.006 0.454 149 A N 1.148 123.901 122.820 -0.112 0.000 1.898 149 A HA -0.204 nan 4.320 nan 0.000 0.216 149 A C 1.613 179.104 177.584 -0.155 0.000 1.181 149 A CA 3.298 55.234 52.037 -0.169 0.000 0.620 149 A CB -0.883 17.974 19.000 -0.237 0.000 0.819 149 A HN -0.154 7.855 8.150 -0.087 0.089 0.442 150 C N -1.704 117.521 119.300 -0.124 0.000 2.425 150 C HA -0.345 nan 4.460 nan 0.000 0.277 150 C C 2.275 177.275 174.990 0.016 0.000 1.280 150 C CA 4.315 63.314 59.018 -0.033 0.000 1.744 150 C CB -1.806 25.997 27.740 0.105 0.000 1.989 150 C HN 0.100 8.253 8.230 -0.128 0.000 0.491 151 K N -0.229 120.160 120.400 -0.018 0.000 2.103 151 K HA -0.259 nan 4.320 nan 0.000 0.204 151 K C 2.360 178.945 176.600 -0.024 0.000 1.052 151 K CA 3.292 59.562 56.287 -0.028 0.000 0.945 151 K CB -0.303 32.115 32.500 -0.136 0.000 0.722 151 K HN -0.276 7.864 8.250 -0.042 0.085 0.443 152 L N -0.804 120.382 121.223 -0.062 0.000 2.017 152 L HA -0.275 nan 4.340 nan 0.000 0.208 152 L C 2.078 178.966 176.870 0.029 0.000 1.073 152 L CA 2.612 57.436 54.840 -0.027 0.000 0.745 152 L CB -1.371 40.640 42.059 -0.080 0.000 0.894 152 L HN -0.008 8.089 8.230 -0.100 0.073 0.432 153 A N -1.239 121.569 122.820 -0.020 0.000 1.883 153 A HA -0.400 nan 4.320 nan 0.000 0.217 153 A C 2.349 179.979 177.584 0.077 0.000 1.186 153 A CA 3.332 55.378 52.037 0.015 0.000 0.624 153 A CB -0.758 18.206 19.000 -0.061 0.000 0.822 153 A HN 0.202 8.314 8.150 -0.064 0.000 0.444 154 R N -1.865 118.641 120.500 0.011 0.000 2.070 154 R HA -0.361 nan 4.340 nan 0.000 0.233 154 R C 2.255 178.459 176.300 -0.160 0.000 1.137 154 R CA 3.496 59.529 56.100 -0.112 0.000 0.945 154 R CB -0.098 30.230 30.300 0.048 0.000 0.845 154 R HN -0.231 8.054 8.270 0.025 0.000 0.430 155 K N -0.157 120.290 120.400 0.080 0.000 2.063 155 K HA -0.336 nan 4.320 nan 0.000 0.208 155 K C 1.966 178.646 176.600 0.132 0.000 1.048 155 K CA 3.243 59.630 56.287 0.167 0.000 0.928 155 K CB -0.390 32.199 32.500 0.148 0.000 0.713 155 K HN -0.223 8.081 8.250 0.089 0.000 0.442 156 W N -0.804 120.467 121.300 -0.047 0.000 2.388 156 W HA -0.281 nan 4.660 nan 0.000 0.294 156 W C 1.831 178.306 176.519 -0.073 0.000 1.212 156 W CA 3.825 61.145 57.345 -0.042 0.000 1.271 156 W CB 0.103 29.533 29.460 -0.049 0.000 1.126 156 W HN 0.229 8.571 8.180 0.270 0.000 0.535 157 G N -2.019 106.756 108.800 -0.042 0.000 2.418 157 G HA2 -0.454 nan 3.960 nan 0.000 0.217 157 G HA3 -0.454 nan 3.960 nan 0.000 0.217 157 G C 1.018 175.716 174.900 -0.337 0.000 1.158 157 G CA 2.405 47.333 45.100 -0.286 0.000 0.771 157 G HN 0.188 8.345 8.290 0.091 0.188 0.545 158 Y N 0.589 120.851 120.300 -0.064 0.000 2.153 158 Y HA -0.112 nan 4.550 nan 0.000 0.289 158 Y C 2.726 178.549 175.900 -0.128 0.000 1.119 158 Y CA 1.841 59.893 58.100 -0.079 0.000 1.116 158 Y CB -0.393 38.055 38.460 -0.020 0.000 1.004 158 Y HN -0.309 7.742 8.280 -0.381 0.000 0.501 159 T N -5.648 108.932 114.554 0.044 0.000 2.951 159 T HA -0.139 nan 4.350 nan 0.000 0.268 159 T C 1.014 175.624 174.700 -0.149 0.000 1.073 159 T CA 2.351 64.434 62.100 -0.028 0.000 1.134 159 T CB 0.076 68.956 68.868 0.020 0.000 0.884 159 T HN -0.047 8.241 8.240 0.080 0.000 0.479 160 V N 1.100 120.803 119.914 -0.352 0.000 2.854 160 V HA 0.074 nan 4.120 nan 0.000 0.236 160 V C 1.522 177.273 176.094 -0.571 0.000 1.157 160 V CA 1.477 63.479 62.300 -0.497 0.000 1.187 160 V CB 1.134 32.495 31.823 -0.770 0.000 0.949 160 V HN -0.000 7.840 8.190 -0.413 0.102 0.488 161 K N -0.248 119.645 120.400 -0.846 0.000 2.148 161 K HA -0.100 nan 4.320 nan 0.000 0.204 161 K C 1.000 177.433 176.600 -0.279 0.000 1.050 161 K CA 1.292 57.217 56.287 -0.603 0.000 0.942 161 K CB 0.978 33.071 32.500 -0.678 0.000 0.724 161 K HN -0.067 7.517 8.250 -1.111 0.000 0.446 162 G N -2.649 106.024 108.800 -0.211 0.000 2.144 162 G HA2 -0.370 nan 3.960 nan 0.000 0.218 162 G HA3 -0.370 nan 3.960 nan 0.000 0.218 162 G C 0.092 174.978 174.900 -0.024 0.000 0.988 162 G CA -0.281 44.763 45.100 -0.093 0.000 0.659 162 G HN -0.487 7.651 8.290 -0.252 0.000 0.522 163 I N 0.577 121.150 120.570 0.004 0.000 2.752 163 I HA -0.298 nan 4.170 nan 0.000 0.287 163 I C -0.639 175.591 176.117 0.187 0.000 1.188 163 I CA 0.797 62.152 61.300 0.092 0.000 1.427 163 I CB 0.385 38.430 38.000 0.075 0.000 1.365 163 I HN -0.247 7.924 8.210 -0.064 0.000 0.585 164 Q N 6.020 125.879 119.800 0.098 0.000 2.364 164 Q HA -0.112 nan 4.340 nan 0.000 0.267 164 Q C 0.052 176.001 176.000 -0.086 0.000 0.999 164 Q CA 0.087 55.888 55.803 -0.004 0.000 0.886 164 Q CB 1.319 30.041 28.738 -0.026 0.000 1.243 164 Q HN 0.338 8.655 8.270 0.078 0.000 0.415 165 K N 6.081 126.234 120.400 -0.410 0.000 2.441 165 K HA -0.251 nan 4.320 nan 0.000 0.273 165 K C -0.527 175.610 176.600 -0.772 0.000 1.090 165 K CA 1.784 57.465 56.287 -1.010 0.000 1.158 165 K CB -0.843 30.969 32.500 -1.146 0.000 0.847 165 K HN 0.445 8.491 8.250 -0.340 0.000 0.483 166 Y N -3.027 117.041 120.300 -0.388 0.000 4.569 166 Y HA -0.259 nan 4.550 nan 0.000 0.237 166 Y C -0.074 175.918 175.900 0.153 0.000 1.090 166 Y CA 0.173 58.284 58.100 0.019 0.000 2.052 166 Y CB -3.200 35.227 38.460 -0.055 0.000 1.621 166 Y HN 0.370 7.889 8.280 -1.268 0.000 0.682 167 K N -3.019 117.588 120.400 0.346 0.000 2.355 167 K HA 0.057 nan 4.320 nan 0.000 0.198 167 K C -0.413 176.328 176.600 0.235 0.000 1.039 167 K CA -0.495 55.931 56.287 0.232 0.000 1.075 167 K CB 0.925 33.515 32.500 0.150 0.000 0.870 167 K HN -0.335 8.110 8.250 0.407 0.050 0.540 168 A N 0.013 123.023 122.820 0.318 0.000 2.477 168 A HA -0.056 nan 4.320 nan 0.000 0.246 168 A C -0.557 177.108 177.584 0.135 0.000 1.078 168 A CA 0.830 52.934 52.037 0.112 0.000 0.770 168 A CB 0.558 19.434 19.000 -0.206 0.000 1.011 168 A HN -0.692 7.755 8.150 0.585 0.054 0.494 169 K N 2.914 123.381 120.400 0.113 0.000 2.281 169 K HA 0.591 nan 4.320 nan 0.000 0.242 169 K C -1.459 175.227 176.600 0.143 0.000 0.971 169 K CA -1.530 54.851 56.287 0.158 0.000 0.834 169 K CB 3.879 36.459 32.500 0.133 0.000 1.181 169 K HN 0.453 8.655 8.250 0.081 0.096 0.435 170 I N 0.439 121.138 120.570 0.215 0.000 2.499 170 I HA 0.582 nan 4.170 nan 0.000 0.288 170 I C -1.470 174.622 176.117 -0.041 0.000 1.048 170 I CA -1.161 60.152 61.300 0.021 0.000 1.062 170 I CB 3.134 41.112 38.000 -0.037 0.000 1.238 170 I HN 0.170 8.599 8.210 0.365 0.000 0.426 171 V N 5.759 125.596 119.914 -0.128 0.000 2.539 171 V HA 0.673 nan 4.120 nan 0.000 0.292 171 V C -1.289 174.721 176.094 -0.141 0.000 1.045 171 V CA -0.865 61.455 62.300 0.035 0.000 0.945 171 V CB 0.599 32.484 31.823 0.105 0.000 0.993 171 V HN 0.600 8.728 8.190 -0.104 0.000 0.464 172 F N 3.518 123.591 119.950 0.206 0.000 2.593 172 F HA 0.741 nan 4.527 nan 0.000 0.320 172 F C -1.898 174.060 175.800 0.262 0.000 1.060 172 F CA -2.037 56.034 58.000 0.119 0.000 0.940 172 F CB 4.713 43.703 39.000 -0.017 0.000 1.268 172 F HN 0.985 9.539 8.300 0.424 0.000 0.475 173 A N -0.652 122.420 122.820 0.420 0.000 2.305 173 A HA 0.717 nan 4.320 nan 0.000 0.322 173 A C -1.444 176.285 177.584 0.242 0.000 1.187 173 A CA -2.206 50.068 52.037 0.395 0.000 0.825 173 A CB 1.198 20.517 19.000 0.532 0.000 1.164 173 A HN 0.640 8.980 8.150 0.317 0.000 0.498 174 A N 2.872 125.812 122.820 0.201 0.000 2.531 174 A HA -0.163 nan 4.320 nan 0.000 0.236 174 A C 0.386 178.005 177.584 0.059 0.000 1.062 174 A CA 1.145 53.253 52.037 0.117 0.000 0.760 174 A CB -0.249 18.809 19.000 0.098 0.000 0.995 174 A HN 0.473 8.758 8.150 0.224 0.000 0.501 175 G N 2.148 110.965 108.800 0.029 0.000 2.213 175 G HA2 -0.362 nan 3.960 nan 0.000 0.236 175 G HA3 -0.362 nan 3.960 nan 0.000 0.236 175 G C -1.082 173.819 174.900 0.002 0.000 0.991 175 G CA -0.246 44.842 45.100 -0.020 0.000 0.629 175 G HN 0.324 8.643 8.290 0.049 0.000 0.517 176 N N 0.044 118.767 118.700 0.038 0.000 2.416 176 N HA -0.215 nan 4.740 nan 0.000 0.246 176 N C -1.724 173.909 175.510 0.207 0.000 1.260 176 N CA 0.663 53.775 53.050 0.104 0.000 0.897 176 N CB 0.911 39.500 38.487 0.170 0.000 1.110 176 N HN -0.605 7.723 8.380 0.053 0.084 0.439 177 F N 2.317 122.322 119.950 0.092 0.000 2.689 177 F HA 0.238 nan 4.527 nan 0.000 0.332 177 F C -1.650 174.246 175.800 0.159 0.000 1.209 177 F CA -0.268 57.764 58.000 0.053 0.000 1.028 177 F CB 2.757 41.750 39.000 -0.011 0.000 1.291 177 F HN -0.021 8.711 8.300 0.273 -0.269 0.500 178 W N 4.259 125.199 121.300 -0.600 0.000 1.948 178 W HA 0.287 nan 4.660 nan 0.000 0.300 178 W C -2.132 174.100 176.519 -0.478 0.000 0.890 178 W CA -0.892 56.233 57.345 -0.367 0.000 1.799 178 W CB 1.315 30.667 29.460 -0.181 0.000 1.073 178 W HN 0.195 7.841 8.180 -0.889 0.000 0.499 179 G N -1.565 106.557 108.800 -1.131 0.000 2.357 179 G HA2 -0.154 nan 3.960 nan 0.000 0.289 179 G HA3 -0.154 nan 3.960 nan 0.000 0.289 179 G C -1.395 173.016 174.900 -0.815 0.000 1.302 179 G CA -0.363 44.271 45.100 -0.777 0.000 0.936 179 G HN -0.468 6.567 8.290 -2.092 0.000 0.513 180 R N -2.001 118.216 120.500 -0.471 0.000 2.565 180 R HA 0.248 nan 4.340 nan 0.000 0.347 180 R C -0.034 176.055 176.300 -0.352 0.000 1.010 180 R CA -0.580 55.299 56.100 -0.369 0.000 1.126 180 R CB 1.006 31.174 30.300 -0.221 0.000 1.331 180 R HN 0.277 8.329 8.270 -0.363 0.000 0.552 181 T N -1.478 112.853 114.554 -0.372 0.000 2.813 181 T HA 0.040 nan 4.350 nan 0.000 0.297 181 T C 1.109 175.657 174.700 -0.253 0.000 1.036 181 T CA -1.161 60.777 62.100 -0.270 0.000 1.044 181 T CB 1.610 70.354 68.868 -0.206 0.000 0.993 181 T HN -0.601 7.360 8.240 -0.466 0.000 0.535 182 L N 0.024 121.156 121.223 -0.151 0.000 2.129 182 L HA -0.222 nan 4.340 nan 0.000 0.212 182 L C 1.886 178.754 176.870 -0.003 0.000 1.087 182 L CA 2.619 57.419 54.840 -0.068 0.000 0.757 182 L CB -0.612 41.420 42.059 -0.045 0.000 0.896 182 L HN 0.448 8.599 8.230 -0.132 0.000 0.434 183 S N -1.606 114.084 115.700 -0.018 0.000 2.377 183 S HA -0.222 nan 4.470 nan 0.000 0.223 183 S C 1.608 176.175 174.600 -0.056 0.000 1.030 183 S CA 3.019 61.313 58.200 0.156 0.000 0.970 183 S CB -0.325 63.064 63.200 0.315 0.000 0.830 183 S HN -0.110 8.120 8.310 -0.069 0.039 0.473 184 A N 1.035 123.447 122.820 -0.680 0.000 1.902 184 A HA -0.173 nan 4.320 nan 0.000 0.217 184 A C 2.534 179.629 177.584 -0.814 0.000 1.181 184 A CA 2.770 53.898 52.037 -1.516 0.000 0.623 184 A CB -0.494 17.461 19.000 -1.741 0.000 0.818 184 A HN -0.638 7.086 8.150 -0.590 0.072 0.443 185 I N -7.700 112.616 120.570 -0.423 0.000 2.928 185 I HA -0.181 nan 4.170 nan 0.000 0.266 185 I C 1.483 177.559 176.117 -0.069 0.000 1.234 185 I CA 2.644 63.839 61.300 -0.176 0.000 1.483 185 I CB -0.306 37.689 38.000 -0.007 0.000 1.097 185 I HN 0.073 8.059 8.210 -0.374 0.000 0.455 186 S N 2.593 118.294 115.700 0.002 0.000 2.423 186 S HA -0.162 nan 4.470 nan 0.000 0.231 186 S C 0.705 175.267 174.600 -0.064 0.000 1.014 186 S CA 3.227 61.462 58.200 0.058 0.000 0.965 186 S CB -0.464 62.927 63.200 0.319 0.000 0.785 186 S HN -0.201 7.946 8.310 0.001 0.164 0.495 187 S N -1.908 113.676 115.700 -0.193 0.000 2.556 187 S HA 0.076 nan 4.470 nan 0.000 0.216 187 S C -0.378 174.063 174.600 -0.264 0.000 0.970 187 S CA 0.020 57.965 58.200 -0.425 0.000 0.912 187 S CB 0.554 62.917 63.200 -1.395 0.000 0.790 187 S HN -0.679 7.469 8.310 -0.235 0.021 0.504 188 S N 1.332 116.921 115.700 -0.185 0.000 2.584 188 S HA -0.001 nan 4.470 nan 0.000 0.273 188 S C 0.818 175.443 174.600 0.041 0.000 1.311 188 S CA -0.120 58.061 58.200 -0.033 0.000 1.034 188 S CB 1.060 64.289 63.200 0.049 0.000 0.939 188 S HN -0.629 7.366 8.310 -0.204 0.193 0.513 189 T N -1.407 113.216 114.554 0.115 0.000 3.085 189 T HA 0.283 nan 4.350 nan 0.000 0.264 189 T C -0.374 174.460 174.700 0.223 0.000 1.019 189 T CA -0.630 61.564 62.100 0.156 0.000 0.910 189 T CB -0.167 68.745 68.868 0.073 0.000 1.059 189 T HN -0.053 8.246 8.240 0.099 0.000 0.542 190 D N 3.460 123.979 120.400 0.199 0.000 2.359 190 D HA 0.476 nan 4.640 nan 0.000 0.230 190 D C -0.984 175.191 176.300 -0.208 0.000 1.118 190 D CA -3.344 50.691 54.000 0.058 0.000 0.844 190 D CB 1.395 42.262 40.800 0.111 0.000 1.059 190 D HN -0.523 7.909 8.370 0.220 0.070 0.493 191 P HA -0.249 nan 4.420 nan 0.000 0.217 191 P C 0.766 177.728 177.300 -0.563 0.000 1.151 191 P CA 2.091 64.698 63.100 -0.822 0.000 0.849 191 P CB 0.228 31.704 31.700 -0.372 0.000 0.787 192 T N -6.262 108.138 114.554 -0.257 0.000 2.929 192 T HA -0.184 nan 4.350 nan 0.000 0.271 192 T C 1.678 176.362 174.700 -0.027 0.000 1.085 192 T CA 3.025 65.049 62.100 -0.128 0.000 1.125 192 T CB -0.680 68.142 68.868 -0.076 0.000 0.874 192 T HN -0.381 7.947 8.240 -0.188 -0.200 0.494 193 S N 2.225 117.911 115.700 -0.024 0.000 2.470 193 S HA -0.075 nan 4.470 nan 0.000 0.222 193 S C 0.671 175.449 174.600 0.297 0.000 1.024 193 S CA 1.821 60.091 58.200 0.116 0.000 0.931 193 S CB 1.029 64.286 63.200 0.096 0.000 0.791 193 S HN -0.055 8.162 8.310 -0.106 0.029 0.513 194 Y N -2.093 118.345 120.300 0.230 0.000 2.483 194 Y HA 0.253 nan 4.550 nan 0.000 0.258 194 Y C -0.931 175.187 175.900 0.363 0.000 1.083 194 Y CA -2.676 55.632 58.100 0.347 0.000 1.283 194 Y CB 0.519 38.959 38.460 -0.034 0.000 1.178 194 Y HN -1.077 7.042 8.280 -0.268 0.000 0.515 195 D N 3.494 123.844 120.400 -0.083 0.000 2.472 195 D HA -0.214 nan 4.640 nan 0.000 0.248 195 D C 1.130 177.277 176.300 -0.256 0.000 1.174 195 D CA 2.265 56.219 54.000 -0.078 0.000 0.883 195 D CB -0.093 40.556 40.800 -0.251 0.000 1.149 195 D HN -0.073 7.933 8.370 -0.440 0.100 0.488 196 G N 3.866 112.586 108.800 -0.135 0.000 2.143 196 G HA2 -0.384 nan 3.960 nan 0.000 0.249 196 G HA3 -0.384 nan 3.960 nan 0.000 0.249 196 G C -0.303 174.333 174.900 -0.441 0.000 0.981 196 G CA 0.149 45.054 45.100 -0.325 0.000 0.665 196 G HN 0.436 8.780 8.290 0.089 0.000 0.528 197 F N 1.965 121.965 119.950 0.083 0.000 2.987 197 F HA 0.260 nan 4.527 nan 0.000 0.302 197 F C 1.057 176.723 175.800 -0.223 0.000 1.221 197 F CA -0.489 57.505 58.000 -0.009 0.000 1.307 197 F CB -0.736 38.316 39.000 0.087 0.000 1.108 197 F HN -0.276 8.071 8.300 0.152 0.044 0.521 198 G N -0.098 108.613 108.800 -0.148 0.000 2.806 198 G HA2 -0.297 nan 3.960 nan 0.000 0.236 198 G HA3 -0.297 nan 3.960 nan 0.000 0.236 198 G C -2.136 172.361 174.900 -0.670 0.000 1.387 198 G CA -1.173 43.756 45.100 -0.285 0.000 0.884 198 G HN -0.365 7.781 8.290 -0.102 0.083 0.560 199 P HA -0.000 nan 4.420 nan 0.000 0.268 199 P C -1.471 175.436 177.300 -0.655 0.000 1.208 199 P CA 0.088 62.884 63.100 -0.507 0.000 0.777 199 P CB 0.567 32.137 31.700 -0.216 0.000 0.875 200 F N -1.773 118.162 119.950 -0.025 0.000 2.450 200 F HA 0.199 nan 4.527 nan 0.000 0.328 200 F C 0.129 175.877 175.800 -0.085 0.000 1.068 200 F CA -1.666 56.310 58.000 -0.041 0.000 1.007 200 F CB 1.114 40.084 39.000 -0.050 0.000 1.251 200 F HN -0.140 8.091 8.300 -0.115 0.000 0.492 201 M N 3.520 123.164 119.600 0.074 0.000 2.268 201 M HA 0.159 nan 4.480 nan 0.000 0.349 201 M C -2.132 173.998 176.300 -0.283 0.000 1.485 201 M CA -2.633 52.568 55.300 -0.166 0.000 1.094 201 M CB 0.008 32.428 32.600 -0.299 0.000 1.843 201 M HN 0.238 8.638 8.290 0.183 0.000 0.460 202 P HA 0.109 nan 4.420 nan 0.000 0.276 202 P C -0.140 177.014 177.300 -0.244 0.000 1.252 202 P CA -0.275 62.731 63.100 -0.156 0.000 0.802 202 P CB 0.654 32.311 31.700 -0.071 0.000 1.035 203 G N -0.876 107.886 108.800 -0.064 0.000 2.157 203 G HA2 -0.323 nan 3.960 nan 0.000 0.248 203 G HA3 -0.323 nan 3.960 nan 0.000 0.248 203 G C -1.165 173.904 174.900 0.282 0.000 0.979 203 G CA 0.065 45.196 45.100 0.051 0.000 0.650 203 G HN 0.535 8.823 8.290 -0.004 0.000 0.529 204 F N -0.436 119.626 119.950 0.188 0.000 2.388 204 F HA 0.456 nan 4.527 nan 0.000 0.358 204 F C -0.987 174.949 175.800 0.227 0.000 1.122 204 F CA -3.242 54.932 58.000 0.291 0.000 1.056 204 F CB 0.458 39.590 39.000 0.221 0.000 1.155 204 F HN -0.534 7.869 8.300 0.172 0.000 0.461 205 D N 4.519 125.186 120.400 0.445 0.000 2.192 205 D HA 0.337 nan 4.640 nan 0.000 0.246 205 D C -1.590 174.889 176.300 0.298 0.000 1.042 205 D CA -0.819 53.343 54.000 0.271 0.000 0.847 205 D CB 2.776 43.680 40.800 0.172 0.000 1.186 205 D HN 0.495 9.158 8.370 0.488 0.000 0.461 206 I N 1.762 122.455 120.570 0.205 0.000 2.389 206 I HA 0.606 nan 4.170 nan 0.000 0.288 206 I C -0.534 175.669 176.117 0.143 0.000 0.999 206 I CA -0.828 60.592 61.300 0.201 0.000 1.129 206 I CB 1.911 39.991 38.000 0.134 0.000 1.288 206 I HN 0.007 8.307 8.210 0.150 0.000 0.444 207 I N 2.556 123.225 120.570 0.166 0.000 3.023 207 I HA 0.739 nan 4.170 nan 0.000 0.312 207 I C -2.629 173.575 176.117 0.145 0.000 1.056 207 I CA -3.676 57.691 61.300 0.110 0.000 1.033 207 I CB 1.632 39.662 38.000 0.049 0.000 1.233 207 I HN 0.833 9.186 8.210 0.238 0.000 0.462 208 P HA -0.005 nan 4.420 nan 0.000 0.271 208 P C -1.947 175.458 177.300 0.175 0.000 1.218 208 P CA -0.290 62.879 63.100 0.115 0.000 0.780 208 P CB 0.313 32.045 31.700 0.053 0.000 0.901 209 Y N 3.311 123.637 120.300 0.042 0.000 2.326 209 Y HA -0.255 nan 4.550 nan 0.000 0.333 209 Y C 0.260 176.064 175.900 -0.160 0.000 1.240 209 Y CA 0.144 58.255 58.100 0.020 0.000 1.365 209 Y CB 0.704 39.171 38.460 0.012 0.000 1.289 209 Y HN -0.108 8.328 8.280 0.260 0.000 0.548 210 N N 2.983 120.977 118.700 -1.177 0.000 2.725 210 N HA -0.376 nan 4.740 nan 0.000 0.251 210 N C -1.967 173.189 175.510 -0.589 0.000 1.031 210 N CA 0.834 53.012 53.050 -1.454 0.000 0.720 210 N CB -0.527 37.348 38.487 -1.020 0.000 0.930 210 N HN 0.403 7.977 8.380 -1.343 0.000 0.543 211 D N -1.297 118.962 120.400 -0.235 0.000 2.330 211 D HA 0.105 nan 4.640 nan 0.000 0.249 211 D C 0.024 176.363 176.300 0.065 0.000 1.306 211 D CA -0.939 53.035 54.000 -0.044 0.000 0.956 211 D CB 1.186 41.965 40.800 -0.035 0.000 1.261 211 D HN -0.415 7.898 8.370 -0.096 0.000 0.544 212 L N 3.437 124.714 121.223 0.090 0.000 2.046 212 L HA -0.015 nan 4.340 nan 0.000 0.208 212 L C -0.291 176.556 176.870 -0.039 0.000 1.077 212 L CA 3.654 58.512 54.840 0.030 0.000 0.747 212 L CB -2.814 39.261 42.059 0.027 0.000 0.896 212 L HN 0.478 8.757 8.230 0.081 0.000 0.432 213 P HA -0.196 nan 4.420 nan 0.000 0.216 213 P C 1.067 178.332 177.300 -0.060 0.000 1.150 213 P CA 3.253 66.329 63.100 -0.040 0.000 0.837 213 P CB -0.729 30.955 31.700 -0.026 0.000 0.786 214 A N -3.050 119.736 122.820 -0.057 0.000 1.969 214 A HA -0.154 nan 4.320 nan 0.000 0.218 214 A C 2.151 179.657 177.584 -0.131 0.000 1.169 214 A CA 2.873 54.870 52.037 -0.068 0.000 0.635 214 A CB -0.672 18.306 19.000 -0.037 0.000 0.810 214 A HN -0.395 7.984 8.150 -0.041 -0.254 0.445 215 L N -0.878 120.234 121.223 -0.184 0.000 2.005 215 L HA -0.399 nan 4.340 nan 0.000 0.207 215 L C 1.555 178.240 176.870 -0.310 0.000 1.072 215 L CA 3.138 57.771 54.840 -0.344 0.000 0.744 215 L CB -0.198 41.597 42.059 -0.440 0.000 0.895 215 L HN -0.474 7.583 8.230 -0.134 0.093 0.433 216 E N -0.987 119.077 120.200 -0.226 0.000 2.085 216 E HA -0.448 nan 4.350 nan 0.000 0.194 216 E C 1.395 177.872 176.600 -0.205 0.000 0.994 216 E CA 3.188 59.461 56.400 -0.211 0.000 0.801 216 E CB -0.247 29.400 29.700 -0.088 0.000 0.743 216 E HN -0.250 8.003 8.360 -0.178 0.000 0.453 217 R N -2.612 117.805 120.500 -0.139 0.000 2.073 217 R HA -0.231 nan 4.340 nan 0.000 0.234 217 R C 2.418 178.644 176.300 -0.124 0.000 1.134 217 R CA 2.619 58.658 56.100 -0.102 0.000 0.952 217 R CB 0.246 30.505 30.300 -0.069 0.000 0.850 217 R HN -0.502 7.688 8.270 -0.124 0.005 0.433 218 A N -0.556 122.173 122.820 -0.153 0.000 1.969 218 A HA -0.138 nan 4.320 nan 0.000 0.218 218 A C 2.168 179.643 177.584 -0.182 0.000 1.169 218 A CA 2.627 54.579 52.037 -0.142 0.000 0.635 218 A CB -0.463 18.446 19.000 -0.151 0.000 0.810 218 A HN -0.218 7.758 8.150 -0.167 0.074 0.445 219 L N -3.731 117.308 121.223 -0.306 0.000 2.675 219 L HA -0.184 nan 4.340 nan 0.000 0.239 219 L C 0.789 177.438 176.870 -0.369 0.000 1.151 219 L CA 0.450 55.043 54.840 -0.413 0.000 0.905 219 L CB -1.370 40.258 42.059 -0.718 0.000 1.057 219 L HN 0.089 8.025 8.230 -0.343 0.089 0.435 220 Q N -1.861 117.822 119.800 -0.195 0.000 2.311 220 Q HA -0.154 nan 4.340 nan 0.000 0.203 220 Q C 0.520 176.514 176.000 -0.011 0.000 0.954 220 Q CA 0.849 56.617 55.803 -0.057 0.000 0.885 220 Q CB 0.064 28.782 28.738 -0.033 0.000 0.963 220 Q HN -0.752 7.314 8.270 -0.179 0.096 0.471 221 D N 1.150 121.533 120.400 -0.027 0.000 2.338 221 D HA 0.229 nan 4.640 nan 0.000 0.255 221 D C -0.200 176.112 176.300 0.021 0.000 1.237 221 D CA -2.579 51.423 54.000 0.004 0.000 0.883 221 D CB 0.892 41.695 40.800 0.005 0.000 1.087 221 D HN -0.717 7.584 8.370 -0.060 0.033 0.485 222 P HA -0.081 nan 4.420 nan 0.000 0.231 222 P C -0.124 177.202 177.300 0.044 0.000 1.158 222 P CA 1.016 64.144 63.100 0.046 0.000 0.763 222 P CB 0.172 31.895 31.700 0.039 0.000 0.805 223 N N -1.014 117.713 118.700 0.044 0.000 2.336 223 N HA 0.035 nan 4.740 nan 0.000 0.189 223 N C -0.817 174.726 175.510 0.056 0.000 1.113 223 N CA 0.027 53.109 53.050 0.054 0.000 0.858 223 N CB 0.641 39.168 38.487 0.067 0.000 0.970 223 N HN -0.463 8.137 8.380 0.040 -0.196 0.471 224 V N 0.984 120.929 119.914 0.051 0.000 2.470 224 V HA 0.007 nan 4.120 nan 0.000 0.276 224 V C -0.815 175.327 176.094 0.080 0.000 1.040 224 V CA 0.888 63.219 62.300 0.052 0.000 1.008 224 V CB -0.780 31.053 31.823 0.016 0.000 0.990 224 V HN -0.558 7.595 8.190 0.043 0.063 0.477 225 A N 7.409 130.279 122.820 0.083 0.000 1.997 225 A HA 0.227 nan 4.320 nan 0.000 0.212 225 A C -1.577 176.075 177.584 0.113 0.000 1.178 225 A CA 1.778 53.910 52.037 0.158 0.000 0.698 225 A CB 1.495 20.559 19.000 0.106 0.000 0.842 225 A HN 1.106 9.188 8.150 0.062 0.105 0.458 226 A N -4.545 118.288 122.820 0.022 0.000 2.581 226 A HA 0.834 nan 4.320 nan 0.000 0.290 226 A C -3.152 174.419 177.584 -0.021 0.000 1.119 226 A CA -0.249 51.766 52.037 -0.036 0.000 0.670 226 A CB 3.075 22.000 19.000 -0.126 0.000 1.280 226 A HN -0.745 7.416 8.150 0.018 0.000 0.425 227 F N -0.004 119.814 119.950 -0.219 0.000 2.536 227 F HA 0.813 nan 4.527 nan 0.000 0.322 227 F C -2.987 172.661 175.800 -0.253 0.000 1.144 227 F CA -2.285 55.554 58.000 -0.268 0.000 0.924 227 F CB 3.956 42.831 39.000 -0.208 0.000 1.181 227 F HN 0.491 8.810 8.300 0.031 0.000 0.438 228 M N 8.949 128.031 119.600 -0.862 0.000 2.205 228 M HA 0.825 nan 4.480 nan 0.000 0.344 228 M C -2.538 173.261 176.300 -0.836 0.000 1.085 228 M CA -1.083 53.755 55.300 -0.771 0.000 1.001 228 M CB 2.344 34.470 32.600 -0.791 0.000 1.626 228 M HN 0.390 8.140 8.290 -0.900 0.000 0.442 229 V N 0.990 120.578 119.914 -0.545 0.000 3.049 229 V HA 0.550 nan 4.120 nan 0.000 0.309 229 V C -1.885 174.187 176.094 -0.038 0.000 1.148 229 V CA -2.576 59.554 62.300 -0.284 0.000 0.990 229 V CB 2.925 34.632 31.823 -0.194 0.000 1.039 229 V HN 0.753 8.722 8.190 -0.368 0.000 0.430 230 E N 1.439 121.670 120.200 0.052 0.000 2.197 230 E HA 0.431 nan 4.350 nan 0.000 0.281 230 E C -1.776 174.958 176.600 0.223 0.000 0.995 230 E CA -3.003 53.446 56.400 0.082 0.000 0.808 230 E CB 0.587 30.304 29.700 0.028 0.000 1.093 230 E HN 0.305 8.692 8.360 0.045 0.000 0.394 231 P HA -0.179 nan 4.420 nan 0.000 0.221 231 P C -1.500 175.980 177.300 0.301 0.000 1.145 231 P CA 1.167 64.430 63.100 0.273 0.000 0.795 231 P CB 0.430 32.253 31.700 0.206 0.000 0.775 232 I N -4.833 115.874 120.570 0.230 0.000 2.649 232 I HA 0.087 nan 4.170 nan 0.000 0.289 232 I C -1.732 174.440 176.117 0.091 0.000 1.222 232 I CA -1.685 59.730 61.300 0.192 0.000 1.046 232 I CB 3.581 41.659 38.000 0.131 0.000 1.272 232 I HN -0.870 7.406 8.210 0.176 0.040 0.425 233 Q N 6.593 126.392 119.800 -0.002 0.000 2.344 233 Q HA 0.060 nan 4.340 nan 0.000 0.253 233 Q C 0.838 176.834 176.000 -0.007 0.000 1.050 233 Q CA -0.260 55.486 55.803 -0.094 0.000 0.912 233 Q CB -0.050 28.510 28.738 -0.296 0.000 1.258 233 Q HN 0.174 8.471 8.270 0.045 0.000 0.443 234 G N 5.584 114.399 108.800 0.025 0.000 2.556 234 G HA2 -0.342 nan 3.960 nan 0.000 0.215 234 G HA3 -0.342 nan 3.960 nan 0.000 0.215 234 G C 1.021 175.924 174.900 0.005 0.000 1.258 234 G CA 2.026 47.145 45.100 0.031 0.000 0.811 234 G HN 0.080 8.536 8.290 0.038 -0.144 0.557 235 E N 1.452 121.626 120.200 -0.043 0.000 2.265 235 E HA -0.304 nan 4.350 nan 0.000 0.196 235 E C 1.198 177.823 176.600 0.041 0.000 0.996 235 E CA 2.307 58.626 56.400 -0.135 0.000 0.832 235 E CB -0.967 28.452 29.700 -0.468 0.000 0.756 235 E HN 0.304 8.651 8.360 -0.021 0.000 0.491 236 A N -4.449 118.416 122.820 0.076 0.000 2.015 236 A HA -0.102 nan 4.320 nan 0.000 0.219 236 A C 0.527 178.177 177.584 0.111 0.000 1.163 236 A CA 1.286 53.376 52.037 0.088 0.000 0.646 236 A CB 0.094 19.073 19.000 -0.035 0.000 0.806 236 A HN 0.076 8.205 8.150 0.030 0.039 0.448 237 G N -6.001 102.846 108.800 0.079 0.000 2.192 237 G HA2 -0.190 nan 3.960 nan 0.000 0.152 237 G HA3 -0.190 nan 3.960 nan 0.000 0.152 237 G C -0.895 174.023 174.900 0.031 0.000 1.057 237 G CA -0.570 44.566 45.100 0.060 0.000 0.748 237 G HN -0.462 7.717 8.290 0.050 0.141 0.488 238 V N -2.104 117.829 119.914 0.032 0.000 5.961 238 V HA -0.507 nan 4.120 nan 0.000 0.311 238 V C 0.267 176.390 176.094 0.049 0.000 0.552 238 V CA 1.075 63.399 62.300 0.040 0.000 0.641 238 V CB -2.612 29.235 31.823 0.041 0.000 0.286 238 V HN -0.178 7.923 8.190 0.030 0.107 0.939 239 V N -0.545 119.402 119.914 0.054 0.000 2.408 239 V HA 0.409 nan 4.120 nan 0.000 0.267 239 V C -1.159 175.037 176.094 0.171 0.000 1.047 239 V CA -0.707 61.649 62.300 0.093 0.000 0.937 239 V CB 0.747 32.626 31.823 0.093 0.000 0.999 239 V HN -0.379 7.829 8.190 0.031 0.000 0.472 240 V N 8.882 128.868 119.914 0.120 0.000 2.432 240 V HA 0.490 nan 4.120 nan 0.000 0.275 240 V C -1.163 174.965 176.094 0.058 0.000 1.043 240 V CA -3.108 59.256 62.300 0.107 0.000 0.925 240 V CB -0.166 31.680 31.823 0.039 0.000 0.985 240 V HN 0.482 8.719 8.190 0.078 0.000 0.466 241 P HA 0.311 nan 4.420 nan 0.000 0.276 241 P C -1.876 175.359 177.300 -0.108 0.000 1.252 241 P CA -1.008 61.958 63.100 -0.222 0.000 0.802 241 P CB 1.032 32.513 31.700 -0.365 0.000 1.035 242 D N 0.677 120.986 120.400 -0.150 0.000 2.399 242 D HA 0.188 nan 4.640 nan 0.000 0.241 242 D C -1.076 175.235 176.300 0.018 0.000 1.133 242 D CA -1.051 52.916 54.000 -0.056 0.000 0.890 242 D CB -0.970 39.791 40.800 -0.064 0.000 1.201 242 D HN -0.194 8.347 8.370 -0.281 -0.340 0.432 243 P HA -0.291 nan 4.420 nan 0.000 0.265 243 P C -0.077 177.261 177.300 0.063 0.000 1.193 243 P CA 0.292 63.419 63.100 0.046 0.000 0.765 243 P CB -0.155 31.562 31.700 0.028 0.000 0.823 244 G N 3.054 111.902 108.800 0.081 0.000 2.234 244 G HA2 -0.427 nan 3.960 nan 0.000 0.235 244 G HA3 -0.427 nan 3.960 nan 0.000 0.235 244 G C 0.547 175.501 174.900 0.090 0.000 0.997 244 G CA -0.053 45.089 45.100 0.070 0.000 0.623 244 G HN 0.282 9.013 8.290 0.089 -0.387 0.514 245 Y N 2.817 123.103 120.300 -0.024 0.000 2.114 245 Y HA -0.316 nan 4.550 nan 0.000 0.284 245 Y C 0.471 176.354 175.900 -0.028 0.000 1.143 245 Y CA 4.118 62.188 58.100 -0.050 0.000 1.135 245 Y CB 0.163 38.566 38.460 -0.095 0.000 0.980 245 Y HN -0.322 8.000 8.280 0.206 0.082 0.499 246 L N -3.028 118.143 121.223 -0.087 0.000 2.083 246 L HA -0.473 nan 4.340 nan 0.000 0.209 246 L C 2.134 178.946 176.870 -0.096 0.000 1.083 246 L CA 2.558 57.324 54.840 -0.124 0.000 0.752 246 L CB -0.478 41.655 42.059 0.123 0.000 0.899 246 L HN -0.558 7.877 8.230 0.124 -0.130 0.433 247 M N -0.627 118.957 119.600 -0.026 0.000 2.175 247 M HA -0.351 nan 4.480 nan 0.000 0.264 247 M C 2.202 178.459 176.300 -0.072 0.000 1.063 247 M CA 3.926 59.221 55.300 -0.010 0.000 1.119 247 M CB -0.165 32.447 32.600 0.020 0.000 1.377 247 M HN -0.370 8.132 8.290 0.009 -0.207 0.415 248 G N -0.992 107.739 108.800 -0.115 0.000 2.408 248 G HA2 -0.315 nan 3.960 nan 0.000 0.217 248 G HA3 -0.315 nan 3.960 nan 0.000 0.217 248 G C 0.860 175.619 174.900 -0.234 0.000 1.150 248 G CA 2.172 47.191 45.100 -0.134 0.000 0.776 248 G HN -0.130 8.012 8.290 -0.101 0.087 0.542 249 V N 3.985 123.651 119.914 -0.412 0.000 2.343 249 V HA -0.428 nan 4.120 nan 0.000 0.247 249 V C 1.931 177.720 176.094 -0.508 0.000 1.051 249 V CA 3.881 65.846 62.300 -0.557 0.000 1.036 249 V CB -0.785 30.533 31.823 -0.842 0.000 0.654 249 V HN 0.263 8.100 8.190 -0.464 0.074 0.451 250 R N -0.955 119.319 120.500 -0.376 0.000 2.073 250 R HA -0.343 nan 4.340 nan 0.000 0.234 250 R C 1.517 177.783 176.300 -0.056 0.000 1.134 250 R CA 2.586 58.624 56.100 -0.104 0.000 0.952 250 R CB -0.927 29.448 30.300 0.125 0.000 0.850 250 R HN 0.039 8.118 8.270 -0.318 0.000 0.433 251 E N -0.177 119.984 120.200 -0.066 0.000 2.051 251 E HA -0.298 nan 4.350 nan 0.000 0.192 251 E C 2.489 179.070 176.600 -0.031 0.000 0.991 251 E CA 3.073 59.451 56.400 -0.037 0.000 0.799 251 E CB -0.199 29.480 29.700 -0.036 0.000 0.748 251 E HN -0.472 7.837 8.360 -0.085 0.000 0.449 252 L N -0.933 120.256 121.223 -0.057 0.000 2.017 252 L HA -0.335 nan 4.340 nan 0.000 0.208 252 L C 2.467 179.375 176.870 0.063 0.000 1.073 252 L CA 2.943 57.786 54.840 0.005 0.000 0.745 252 L CB -0.713 41.286 42.059 -0.100 0.000 0.894 252 L HN 0.183 8.349 8.230 -0.107 0.000 0.432 253 C N -1.548 117.725 119.300 -0.044 0.000 2.432 253 C HA -0.421 nan 4.460 nan 0.000 0.277 253 C C 2.326 177.350 174.990 0.056 0.000 1.249 253 C CA 4.731 63.749 59.018 0.001 0.000 1.725 253 C CB -1.929 25.794 27.740 -0.028 0.000 2.028 253 C HN 0.274 8.425 8.230 -0.132 0.000 0.477 254 T N 2.134 116.709 114.554 0.035 0.000 2.720 254 T HA -0.353 nan 4.350 nan 0.000 0.268 254 T C 2.277 176.987 174.700 0.017 0.000 1.037 254 T CA 4.535 66.656 62.100 0.034 0.000 1.144 254 T CB -0.578 68.303 68.868 0.023 0.000 0.864 254 T HN 0.079 8.329 8.240 0.016 0.000 0.444 255 R N 0.811 121.305 120.500 -0.011 0.000 2.120 255 R HA -0.263 nan 4.340 nan 0.000 0.234 255 R C 1.219 177.379 176.300 -0.233 0.000 1.123 255 R CA 2.563 58.590 56.100 -0.122 0.000 0.975 255 R CB 0.078 30.276 30.300 -0.170 0.000 0.866 255 R HN -0.158 8.117 8.270 0.009 0.000 0.446 256 H N -3.529 115.538 119.070 -0.004 0.000 2.505 256 H HA 0.243 nan 4.556 nan 0.000 0.289 256 H C -1.971 173.386 175.328 0.048 0.000 1.052 256 H CA -1.004 55.049 56.048 0.009 0.000 1.156 256 H CB -0.209 29.544 29.762 -0.015 0.000 1.507 256 H HN -0.744 7.489 8.280 0.147 0.135 0.548 257 Q N -1.413 118.470 119.800 0.138 0.000 2.451 257 Q HA -0.475 nan 4.340 nan 0.000 0.305 257 Q C -1.985 174.179 176.000 0.273 0.000 1.345 257 Q CA 0.751 56.672 55.803 0.197 0.000 0.854 257 Q CB -1.434 27.413 28.738 0.181 0.000 1.162 257 Q HN -0.549 7.599 8.270 0.087 0.174 0.440 258 V N -2.102 117.914 119.914 0.170 0.000 2.680 258 V HA 0.452 nan 4.120 nan 0.000 0.309 258 V C -0.735 175.351 176.094 -0.014 0.000 1.052 258 V CA -1.548 60.822 62.300 0.117 0.000 0.908 258 V CB 2.513 34.384 31.823 0.080 0.000 1.001 258 V HN -0.296 7.973 8.190 0.131 0.000 0.431 259 L N 3.577 124.716 121.223 -0.141 0.000 2.367 259 L HA 0.213 nan 4.340 nan 0.000 0.275 259 L C -0.908 175.949 176.870 -0.021 0.000 1.129 259 L CA -0.344 54.355 54.840 -0.235 0.000 0.839 259 L CB 0.734 42.522 42.059 -0.452 0.000 1.133 259 L HN 0.501 8.570 8.230 -0.097 0.103 0.453 260 F N 6.384 126.228 119.950 -0.175 0.000 2.350 260 F HA 0.497 nan 4.527 nan 0.000 0.365 260 F C -1.697 173.981 175.800 -0.203 0.000 1.122 260 F CA -3.590 54.332 58.000 -0.129 0.000 1.139 260 F CB 0.138 39.090 39.000 -0.080 0.000 1.220 260 F HN 0.312 9.003 8.300 0.053 -0.360 0.499 261 I N 8.787 129.377 120.570 0.035 0.000 2.307 261 I HA 0.248 nan 4.170 nan 0.000 0.289 261 I C -2.132 173.829 176.117 -0.259 0.000 1.021 261 I CA -1.018 60.136 61.300 -0.245 0.000 1.224 261 I CB 0.840 38.657 38.000 -0.304 0.000 1.376 261 I HN 0.936 9.215 8.210 0.115 0.000 0.470 262 A N 8.691 131.265 122.820 -0.410 0.000 2.252 262 A HA 0.352 nan 4.320 nan 0.000 0.309 262 A C -2.298 175.155 177.584 -0.219 0.000 1.285 262 A CA -1.940 49.918 52.037 -0.298 0.000 0.900 262 A CB 1.154 19.900 19.000 -0.423 0.000 1.157 262 A HN 0.826 8.679 8.150 -0.494 0.000 0.536 263 D N 4.948 125.260 120.400 -0.146 0.000 2.374 263 D HA -0.024 nan 4.640 nan 0.000 0.240 263 D C 0.013 176.286 176.300 -0.044 0.000 1.229 263 D CA -0.709 53.227 54.000 -0.106 0.000 0.895 263 D CB 0.541 41.294 40.800 -0.079 0.000 1.046 263 D HN 0.235 8.427 8.370 -0.119 0.107 0.498 264 E N 4.951 125.113 120.200 -0.063 0.000 2.496 264 E HA 0.179 nan 4.350 nan 0.000 0.200 264 E C 1.404 178.007 176.600 0.004 0.000 1.016 264 E CA -1.147 55.241 56.400 -0.019 0.000 0.962 264 E CB -0.242 29.428 29.700 -0.050 0.000 1.071 264 E HN -0.233 8.062 8.360 -0.110 0.000 0.457 265 I N 1.044 121.622 120.570 0.013 0.000 2.335 265 I HA -0.550 nan 4.170 nan 0.000 0.251 265 I C 0.444 176.603 176.117 0.070 0.000 1.129 265 I CA 4.605 65.930 61.300 0.041 0.000 1.402 265 I CB -0.144 37.893 38.000 0.061 0.000 1.069 265 I HN -0.503 7.903 8.210 0.005 -0.192 0.424 266 Q N -4.041 115.807 119.800 0.079 0.000 2.369 266 Q HA -0.031 nan 4.340 nan 0.000 0.254 266 Q C 1.173 177.225 176.000 0.087 0.000 0.858 266 Q CA 2.035 57.892 55.803 0.090 0.000 0.961 266 Q CB 0.860 29.657 28.738 0.098 0.000 1.119 266 Q HN 0.046 8.339 8.270 0.075 0.022 0.538 267 T N -4.311 110.296 114.554 0.088 0.000 3.054 267 T HA 0.142 nan 4.350 nan 0.000 0.259 267 T C 0.880 175.649 174.700 0.116 0.000 1.092 267 T CA 0.890 63.052 62.100 0.103 0.000 1.121 267 T CB 0.015 68.952 68.868 0.115 0.000 0.912 267 T HN 0.178 8.466 8.240 0.081 0.000 0.489 268 G N 0.573 109.438 108.800 0.108 0.000 2.588 268 G HA2 0.318 nan 3.960 nan 0.000 0.278 268 G HA3 0.318 nan 3.960 nan 0.000 0.278 268 G C -0.550 174.455 174.900 0.175 0.000 1.307 268 G CA -1.420 43.767 45.100 0.146 0.000 1.016 268 G HN -0.561 7.683 8.290 0.085 0.098 0.503 269 L N -2.170 119.230 121.223 0.296 0.000 3.664 269 L HA -0.563 nan 4.340 nan 0.000 0.560 269 L C -0.622 176.288 176.870 0.068 0.000 1.285 269 L CA 0.265 55.290 54.840 0.308 0.000 0.864 269 L CB -2.551 39.673 42.059 0.276 0.000 1.512 269 L HN 0.231 8.703 8.230 0.403 0.000 0.853 270 A N -4.864 117.930 122.820 -0.042 0.000 4.284 270 A HA -0.475 nan 4.320 nan 0.000 0.264 270 A C 1.372 178.929 177.584 -0.044 0.000 0.856 270 A CA 1.890 53.835 52.037 -0.153 0.000 1.165 270 A CB -0.738 18.089 19.000 -0.287 0.000 1.059 270 A HN -0.040 8.134 8.150 0.039 0.000 0.803 271 R N -0.392 120.117 120.500 0.015 0.000 2.113 271 R HA -0.372 nan 4.340 nan 0.000 0.244 271 R C 1.163 177.499 176.300 0.060 0.000 1.142 271 R CA 3.172 59.292 56.100 0.033 0.000 0.953 271 R CB -0.004 30.329 30.300 0.056 0.000 0.860 271 R HN -0.228 7.961 8.270 0.039 0.104 0.438 272 T N -8.931 105.689 114.554 0.111 0.000 3.100 272 T HA 0.149 nan 4.350 nan 0.000 0.253 272 T C 0.815 175.667 174.700 0.253 0.000 1.118 272 T CA 0.519 62.727 62.100 0.181 0.000 1.058 272 T CB 0.036 69.062 68.868 0.264 0.000 0.953 272 T HN -0.481 7.829 8.240 0.117 0.000 0.515 273 G N 1.491 110.373 108.800 0.137 0.000 2.205 273 G HA2 -0.217 nan 3.960 nan 0.000 0.180 273 G HA3 -0.217 nan 3.960 nan 0.000 0.180 273 G C -0.940 173.913 174.900 -0.078 0.000 1.004 273 G CA -0.286 44.865 45.100 0.086 0.000 0.670 273 G HN -0.171 7.990 8.290 0.068 0.170 0.496 274 R N -2.354 118.086 120.500 -0.100 0.000 2.795 274 R HA 0.324 nan 4.340 nan 0.000 0.268 274 R C -0.512 175.761 176.300 -0.045 0.000 1.041 274 R CA -2.399 53.599 56.100 -0.171 0.000 0.927 274 R CB 1.997 32.121 30.300 -0.292 0.000 1.235 274 R HN -0.892 7.382 8.270 0.007 0.000 0.463 275 W N -0.437 120.855 121.300 -0.012 0.000 2.363 275 W HA -0.229 nan 4.660 nan 0.000 0.296 275 W C -0.379 176.231 176.519 0.152 0.000 1.212 275 W CA 3.024 60.410 57.345 0.069 0.000 1.260 275 W CB 0.811 30.288 29.460 0.027 0.000 1.131 275 W HN 0.418 8.674 8.180 0.126 0.000 0.530 276 L N -5.983 115.448 121.223 0.347 0.000 2.431 276 L HA 0.265 nan 4.340 nan 0.000 0.266 276 L C 0.084 177.066 176.870 0.186 0.000 0.978 276 L CA -1.867 53.121 54.840 0.247 0.000 0.822 276 L CB 2.559 44.751 42.059 0.222 0.000 1.310 276 L HN -0.638 7.949 8.230 0.276 -0.191 0.409 277 A N 5.034 127.979 122.820 0.208 0.000 1.978 277 A HA -0.200 nan 4.320 nan 0.000 0.220 277 A C 1.903 179.675 177.584 0.312 0.000 1.170 277 A CA 3.403 55.624 52.037 0.307 0.000 0.636 277 A CB -0.375 18.773 19.000 0.247 0.000 0.810 277 A HN 0.519 9.002 8.150 0.184 -0.223 0.448 278 V N -1.665 118.370 119.914 0.202 0.000 2.688 278 V HA -0.409 nan 4.120 nan 0.000 0.256 278 V C 1.335 177.523 176.094 0.157 0.000 1.084 278 V CA 3.432 65.835 62.300 0.173 0.000 1.103 278 V CB -0.757 31.119 31.823 0.089 0.000 0.688 278 V HN -0.260 8.271 8.190 0.163 -0.243 0.480 279 D N -0.194 120.277 120.400 0.119 0.000 2.263 279 D HA -0.209 nan 4.640 nan 0.000 0.208 279 D C 2.957 179.270 176.300 0.022 0.000 0.971 279 D CA 3.026 57.052 54.000 0.043 0.000 0.867 279 D CB -0.485 40.310 40.800 -0.009 0.000 0.929 279 D HN 0.075 8.341 8.370 0.130 0.181 0.492 280 Y N -1.124 119.225 120.300 0.082 0.000 2.333 280 Y HA -0.268 nan 4.550 nan 0.000 0.290 280 Y C 1.155 177.095 175.900 0.065 0.000 1.144 280 Y CA 2.700 60.842 58.100 0.070 0.000 1.228 280 Y CB 0.093 38.597 38.460 0.073 0.000 0.985 280 Y HN -0.490 7.912 8.280 0.260 0.034 0.542 281 E N -4.503 115.826 120.200 0.215 0.000 2.538 281 E HA 0.064 nan 4.350 nan 0.000 0.207 281 E C -0.774 175.889 176.600 0.104 0.000 1.002 281 E CA -0.741 55.747 56.400 0.147 0.000 0.952 281 E CB 0.870 30.655 29.700 0.143 0.000 1.031 281 E HN -0.693 7.772 8.360 0.223 0.030 0.476 282 N N 0.202 118.956 118.700 0.089 0.000 2.721 282 N HA -0.329 nan 4.740 nan 0.000 0.249 282 N C -0.524 175.021 175.510 0.058 0.000 1.072 282 N CA 1.075 54.159 53.050 0.057 0.000 0.710 282 N CB -0.870 37.642 38.487 0.041 0.000 0.993 282 N HN -0.407 7.820 8.380 0.097 0.212 0.547 283 V N -6.506 113.459 119.914 0.084 0.000 2.612 283 V HA 0.254 nan 4.120 nan 0.000 0.301 283 V C -1.513 174.613 176.094 0.053 0.000 1.046 283 V CA -2.045 60.313 62.300 0.097 0.000 0.946 283 V CB 1.073 33.010 31.823 0.191 0.000 1.003 283 V HN -0.796 7.455 8.190 0.102 0.000 0.459 284 R N 3.547 124.067 120.500 0.033 0.000 2.272 284 R HA 0.513 nan 4.340 nan 0.000 0.323 284 R C -1.702 174.564 176.300 -0.058 0.000 1.002 284 R CA -3.427 52.662 56.100 -0.019 0.000 0.900 284 R CB 1.444 31.710 30.300 -0.057 0.000 1.151 284 R HN 0.329 8.636 8.270 0.062 0.000 0.507 285 P HA -0.027 nan 4.420 nan 0.000 0.271 285 P C -1.366 175.801 177.300 -0.221 0.000 1.233 285 P CA -0.091 62.659 63.100 -0.584 0.000 0.789 285 P CB 0.753 31.919 31.700 -0.888 0.000 0.951 286 D N -1.226 119.025 120.400 -0.248 0.000 2.213 286 D HA 0.071 nan 4.640 nan 0.000 0.205 286 D C -0.276 175.850 176.300 -0.289 0.000 0.961 286 D CA 2.754 56.642 54.000 -0.188 0.000 0.853 286 D CB 1.304 41.967 40.800 -0.229 0.000 0.967 286 D HN 0.137 8.226 8.370 -0.304 0.099 0.496 287 I N -3.395 116.941 120.570 -0.390 0.000 2.569 287 I HA 0.306 nan 4.170 nan 0.000 0.290 287 I C -2.368 173.450 176.117 -0.498 0.000 1.088 287 I CA -0.693 60.331 61.300 -0.459 0.000 1.047 287 I CB 4.002 41.786 38.000 -0.359 0.000 1.237 287 I HN -0.585 7.384 8.210 -0.402 0.000 0.421 288 V N 5.977 125.542 119.914 -0.581 0.000 2.495 288 V HA 0.752 nan 4.120 nan 0.000 0.298 288 V C -1.277 174.585 176.094 -0.387 0.000 1.031 288 V CA -1.480 60.534 62.300 -0.478 0.000 0.871 288 V CB 2.035 33.549 31.823 -0.515 0.000 0.988 288 V HN 0.368 8.137 8.190 -0.701 0.000 0.432 289 L N 5.625 126.675 121.223 -0.288 0.000 2.307 289 L HA 0.869 nan 4.340 nan 0.000 0.284 289 L C -1.170 175.595 176.870 -0.173 0.000 1.023 289 L CA -1.015 53.702 54.840 -0.207 0.000 0.810 289 L CB 0.935 42.902 42.059 -0.154 0.000 1.231 289 L HN 0.146 8.213 8.230 -0.271 0.000 0.423 290 L N 1.118 122.251 121.223 -0.149 0.000 2.354 290 L HA 0.511 nan 4.340 nan 0.000 0.264 290 L C -1.140 175.719 176.870 -0.018 0.000 1.008 290 L CA -1.245 53.532 54.840 -0.105 0.000 0.819 290 L CB 3.367 45.318 42.059 -0.180 0.000 1.339 290 L HN 0.737 8.885 8.230 -0.138 0.000 0.420 291 G N -2.303 106.512 108.800 0.025 0.000 2.529 291 G HA2 0.104 nan 3.960 nan 0.000 0.238 291 G HA3 0.104 nan 3.960 nan 0.000 0.238 291 G C -0.864 174.080 174.900 0.074 0.000 1.207 291 G CA -0.106 45.028 45.100 0.056 0.000 0.928 291 G HN -0.311 7.996 8.290 0.028 0.000 0.495 292 K N 0.363 120.811 120.400 0.080 0.000 6.244 292 K HA -0.565 nan 4.320 nan 0.000 0.320 292 K C 1.701 178.350 176.600 0.080 0.000 0.632 292 K CA 3.178 59.516 56.287 0.084 0.000 1.101 292 K CB -0.848 31.707 32.500 0.092 0.000 0.782 292 K HN 0.464 8.761 8.250 0.078 0.000 0.907 293 A N -1.735 121.133 122.820 0.081 0.000 2.248 293 A HA -0.013 nan 4.320 nan 0.000 0.210 293 A C 2.287 179.934 177.584 0.105 0.000 1.174 293 A CA 1.709 53.793 52.037 0.079 0.000 0.750 293 A CB -0.718 18.326 19.000 0.074 0.000 0.780 293 A HN 0.137 8.337 8.150 0.083 0.000 0.478 294 L N -2.192 119.101 121.223 0.117 0.000 2.450 294 L HA -0.261 nan 4.340 nan 0.000 0.224 294 L C 0.000 176.947 176.870 0.128 0.000 1.149 294 L CA 1.898 56.823 54.840 0.142 0.000 0.816 294 L CB -0.120 42.018 42.059 0.132 0.000 0.932 294 L HN -0.287 7.810 8.230 0.104 0.195 0.449 295 S N -7.333 108.431 115.700 0.106 0.000 2.733 295 S HA 0.097 nan 4.470 nan 0.000 0.247 295 S C 1.145 175.798 174.600 0.089 0.000 1.043 295 S CA -0.219 58.041 58.200 0.101 0.000 1.066 295 S CB 2.196 65.475 63.200 0.131 0.000 1.045 295 S HN -0.833 7.477 8.310 0.099 0.059 0.586 296 G N 2.756 111.599 108.800 0.071 0.000 2.155 296 G HA2 -0.375 nan 3.960 nan 0.000 0.257 296 G HA3 -0.375 nan 3.960 nan 0.000 0.257 296 G C -0.384 174.538 174.900 0.036 0.000 0.983 296 G CA 0.700 45.827 45.100 0.045 0.000 0.676 296 G HN -0.270 7.925 8.290 0.076 0.140 0.528 297 G N -3.343 105.486 108.800 0.049 0.000 2.157 297 G HA2 -0.300 nan 3.960 nan 0.000 0.248 297 G HA3 -0.300 nan 3.960 nan 0.000 0.248 297 G C 0.229 175.170 174.900 0.067 0.000 0.979 297 G CA 0.274 45.398 45.100 0.039 0.000 0.650 297 G HN -0.437 7.840 8.290 0.066 0.053 0.529 298 L N -1.568 119.715 121.223 0.100 0.000 2.554 298 L HA 0.181 nan 4.340 nan 0.000 0.225 298 L C -0.769 176.217 176.870 0.192 0.000 1.104 298 L CA 0.591 55.509 54.840 0.130 0.000 0.866 298 L CB 0.891 43.033 42.059 0.137 0.000 1.047 298 L HN -0.580 7.662 8.230 0.104 0.050 0.468 299 Y N -2.051 118.261 120.300 0.020 0.000 2.521 299 Y HA 0.161 nan 4.550 nan 0.000 0.328 299 Y C -3.084 172.818 175.900 0.003 0.000 1.151 299 Y CA -2.255 55.849 58.100 0.007 0.000 1.054 299 Y CB 2.861 41.325 38.460 0.006 0.000 1.338 299 Y HN -0.716 7.670 8.280 0.176 0.000 0.453 300 P HA 0.092 nan 4.420 nan 0.000 0.273 300 P C -1.972 175.427 177.300 0.164 0.000 1.319 300 P CA -0.047 63.057 63.100 0.007 0.000 0.885 300 P CB -0.545 31.080 31.700 -0.126 0.000 1.015 301 V N 5.449 125.455 119.914 0.153 0.000 2.577 301 V HA 0.264 nan 4.120 nan 0.000 0.303 301 V C -1.855 174.296 176.094 0.094 0.000 1.042 301 V CA -1.540 60.838 62.300 0.129 0.000 0.872 301 V CB 2.135 34.010 31.823 0.087 0.000 0.998 301 V HN -0.326 7.938 8.190 0.124 0.000 0.423 302 S N 4.560 120.312 115.700 0.087 0.000 2.661 302 S HA 0.890 nan 4.470 nan 0.000 0.285 302 S C -2.001 172.646 174.600 0.078 0.000 1.138 302 S CA -1.831 56.413 58.200 0.073 0.000 0.855 302 S CB 3.533 66.771 63.200 0.064 0.000 1.136 302 S HN 0.559 8.824 8.310 0.090 0.099 0.484 303 A N -1.992 120.851 122.820 0.038 0.000 2.604 303 A HA 0.791 nan 4.320 nan 0.000 0.295 303 A C -3.229 174.314 177.584 -0.068 0.000 1.067 303 A CA -0.389 51.661 52.037 0.021 0.000 0.683 303 A CB 3.567 22.602 19.000 0.058 0.000 1.281 303 A HN 0.585 8.740 8.150 0.009 0.000 0.407 304 V N -0.485 119.380 119.914 -0.082 0.000 2.531 304 V HA 0.958 nan 4.120 nan 0.000 0.301 304 V C -2.502 173.466 176.094 -0.210 0.000 1.034 304 V CA -2.194 60.009 62.300 -0.161 0.000 0.865 304 V CB 2.229 33.979 31.823 -0.121 0.000 0.995 304 V HN 0.065 8.234 8.190 -0.035 0.000 0.424 305 L N 8.110 129.117 121.223 -0.361 0.000 2.334 305 L HA 0.983 nan 4.340 nan 0.000 0.276 305 L C -1.448 175.038 176.870 -0.641 0.000 1.014 305 L CA -1.149 53.423 54.840 -0.447 0.000 0.815 305 L CB 2.991 44.717 42.059 -0.556 0.000 1.268 305 L HN 0.430 8.406 8.230 -0.424 0.000 0.428 306 C N -1.300 117.770 119.300 -0.383 0.000 3.231 306 C HA 0.466 nan 4.460 nan 0.000 0.343 306 C C -1.569 173.416 174.990 -0.009 0.000 1.349 306 C CA -1.527 57.338 59.018 -0.254 0.000 1.209 306 C CB 2.679 30.266 27.740 -0.254 0.000 1.475 306 C HN 0.420 8.535 8.230 -0.191 0.000 0.460 307 D N 0.315 120.707 120.400 -0.014 0.000 2.377 307 D HA 0.104 nan 4.640 nan 0.000 0.245 307 D C 0.918 177.269 176.300 0.084 0.000 1.196 307 D CA -0.170 53.775 54.000 -0.092 0.000 0.962 307 D CB 0.996 41.593 40.800 -0.338 0.000 1.127 307 D HN 0.336 8.690 8.370 -0.027 0.000 0.471 308 D N 0.492 121.062 120.400 0.285 0.000 2.116 308 D HA -0.373 nan 4.640 nan 0.000 0.193 308 D C 1.448 177.841 176.300 0.155 0.000 0.998 308 D CA 3.980 58.114 54.000 0.223 0.000 0.836 308 D CB -0.325 40.622 40.800 0.245 0.000 0.951 308 D HN 0.538 9.279 8.370 0.620 0.000 0.449 309 D N -3.024 117.469 120.400 0.155 0.000 2.265 309 D HA -0.234 nan 4.640 nan 0.000 0.208 309 D C 0.602 177.041 176.300 0.232 0.000 0.977 309 D CA 2.535 56.643 54.000 0.181 0.000 0.871 309 D CB -0.743 40.172 40.800 0.192 0.000 0.925 309 D HN 0.291 8.757 8.370 0.160 0.000 0.485 310 I N -2.423 118.217 120.570 0.118 0.000 2.947 310 I HA -0.116 nan 4.170 nan 0.000 0.263 310 I C 1.144 177.306 176.117 0.075 0.000 1.130 310 I CA 1.028 62.369 61.300 0.069 0.000 1.448 310 I CB 0.848 38.737 38.000 -0.183 0.000 1.222 310 I HN -0.746 7.460 8.210 0.068 0.044 0.453 311 M N 0.782 120.409 119.600 0.046 0.000 2.117 311 M HA -0.306 nan 4.480 nan 0.000 0.262 311 M C 1.987 178.332 176.300 0.074 0.000 1.065 311 M CA 2.943 58.271 55.300 0.046 0.000 1.114 311 M CB 0.097 32.725 32.600 0.048 0.000 1.361 311 M HN -0.210 8.103 8.290 0.039 0.000 0.408 312 L N -3.015 118.263 121.223 0.093 0.000 2.622 312 L HA -0.183 nan 4.340 nan 0.000 0.233 312 L C 1.011 177.937 176.870 0.094 0.000 1.156 312 L CA 1.194 56.088 54.840 0.089 0.000 0.866 312 L CB -1.201 40.910 42.059 0.087 0.000 0.980 312 L HN 0.175 8.359 8.230 0.103 0.108 0.448 313 T N -4.612 110.009 114.554 0.113 0.000 2.995 313 T HA -0.176 nan 4.350 nan 0.000 0.269 313 T C 0.726 175.483 174.700 0.095 0.000 1.091 313 T CA 1.666 63.835 62.100 0.116 0.000 1.128 313 T CB 0.357 69.323 68.868 0.163 0.000 0.891 313 T HN -0.514 7.720 8.240 0.121 0.078 0.492 314 I N 2.681 123.303 120.570 0.086 0.000 2.304 314 I HA -0.012 nan 4.170 nan 0.000 0.291 314 I C -0.764 175.399 176.117 0.078 0.000 1.018 314 I CA -0.081 61.268 61.300 0.082 0.000 1.260 314 I CB 0.613 38.660 38.000 0.079 0.000 1.390 314 I HN -0.729 7.498 8.210 0.085 0.035 0.475 315 K N 9.307 129.751 120.400 0.072 0.000 2.109 315 K HA 0.432 nan 4.320 nan 0.000 0.243 315 K C -2.277 174.357 176.600 0.055 0.000 1.006 315 K CA -3.172 53.151 56.287 0.060 0.000 0.917 315 K CB -0.098 32.434 32.500 0.053 0.000 1.081 315 K HN 0.016 8.641 8.250 0.075 -0.330 0.468 316 P HA -0.254 nan 4.420 nan 0.000 0.262 316 P C 0.096 177.411 177.300 0.025 0.000 1.182 316 P CA 1.440 64.557 63.100 0.028 0.000 0.761 316 P CB -0.164 31.549 31.700 0.022 0.000 0.795 317 G N 4.389 113.199 108.800 0.016 0.000 2.199 317 G HA2 -0.401 nan 3.960 nan 0.000 0.254 317 G HA3 -0.401 nan 3.960 nan 0.000 0.254 317 G C 0.493 175.417 174.900 0.039 0.000 0.982 317 G CA 0.371 45.479 45.100 0.013 0.000 0.632 317 G HN 0.463 8.758 8.290 0.009 0.000 0.529 318 E N -0.832 119.409 120.200 0.068 0.000 2.489 318 E HA -0.077 nan 4.350 nan 0.000 0.193 318 E C -1.178 175.530 176.600 0.180 0.000 1.057 318 E CA 0.349 56.809 56.400 0.100 0.000 0.866 318 E CB 0.641 30.397 29.700 0.094 0.000 0.916 318 E HN -0.346 7.976 8.360 0.065 0.077 0.500 319 H N -3.569 115.513 119.070 0.021 0.000 3.114 319 H HA 0.070 nan 4.556 nan 0.000 0.325 319 H C -1.868 173.468 175.328 0.012 0.000 1.206 319 H CA -0.332 55.730 56.048 0.023 0.000 1.316 319 H CB 2.769 32.550 29.762 0.033 0.000 1.981 319 H HN -0.418 7.865 8.280 0.111 0.064 0.527 320 G N 2.547 111.010 108.800 -0.562 0.000 2.490 320 G HA2 0.316 nan 3.960 nan 0.000 0.308 320 G HA3 0.316 nan 3.960 nan 0.000 0.308 320 G C -2.280 172.415 174.900 -0.341 0.000 1.286 320 G CA 0.101 44.970 45.100 -0.386 0.000 0.825 320 G HN -0.027 7.872 8.290 -0.651 0.000 0.479 321 S N -1.212 114.386 115.700 -0.170 0.000 2.578 321 S HA 0.234 nan 4.470 nan 0.000 0.285 321 S C 0.522 175.099 174.600 -0.038 0.000 1.126 321 S CA -0.614 57.539 58.200 -0.077 0.000 0.878 321 S CB 1.667 64.840 63.200 -0.045 0.000 1.091 321 S HN 0.018 8.241 8.310 -0.146 0.000 0.450 322 T N 7.031 121.588 114.554 0.004 0.000 2.614 322 T HA -0.012 nan 4.350 nan 0.000 0.263 322 T C 1.224 175.881 174.700 -0.072 0.000 1.055 322 T CA 2.763 64.839 62.100 -0.039 0.000 1.162 322 T CB 0.094 68.965 68.868 0.005 0.000 0.863 322 T HN 0.526 8.784 8.240 0.030 0.000 0.414 323 Y N -2.080 118.226 120.300 0.009 0.000 2.544 323 Y HA -0.013 nan 4.550 nan 0.000 0.286 323 Y C -0.198 175.731 175.900 0.048 0.000 1.141 323 Y CA -0.510 57.619 58.100 0.048 0.000 1.299 323 Y CB 0.065 38.575 38.460 0.082 0.000 1.030 323 Y HN 0.010 8.518 8.280 0.379 0.000 0.543 324 G N -1.285 107.599 108.800 0.140 0.000 2.255 324 G HA2 -0.240 nan 3.960 nan 0.000 0.267 324 G HA3 -0.240 nan 3.960 nan 0.000 0.267 324 G C -0.209 174.722 174.900 0.050 0.000 1.177 324 G CA 1.213 46.364 45.100 0.086 0.000 1.027 324 G HN -0.829 7.380 8.290 0.114 0.150 0.437 325 G N 4.082 112.914 108.800 0.053 0.000 2.132 325 G HA2 -0.390 nan 3.960 nan 0.000 0.234 325 G HA3 -0.390 nan 3.960 nan 0.000 0.234 325 G C -0.966 173.934 174.900 -0.000 0.000 0.989 325 G CA -0.121 44.994 45.100 0.025 0.000 0.676 325 G HN 0.034 8.365 8.290 0.068 0.000 0.522 326 N N 0.569 119.274 118.700 0.008 0.000 2.453 326 N HA 0.120 nan 4.740 nan 0.000 0.253 326 N C -0.820 174.648 175.510 -0.070 0.000 1.252 326 N CA -1.540 51.504 53.050 -0.009 0.000 0.917 326 N CB -0.289 38.232 38.487 0.057 0.000 1.117 326 N HN -0.630 7.784 8.380 0.056 0.000 0.442 327 P HA -0.338 nan 4.420 nan 0.000 0.216 327 P C 1.057 178.285 177.300 -0.121 0.000 1.153 327 P CA 2.795 65.863 63.100 -0.053 0.000 0.858 327 P CB 0.006 31.698 31.700 -0.013 0.000 0.789 328 L N -2.232 118.894 121.223 -0.162 0.000 1.994 328 L HA -0.270 nan 4.340 nan 0.000 0.208 328 L C 1.795 178.370 176.870 -0.493 0.000 1.071 328 L CA 2.906 57.589 54.840 -0.262 0.000 0.745 328 L CB -0.784 41.145 42.059 -0.216 0.000 0.892 328 L HN -0.623 7.594 8.230 -0.111 -0.053 0.431 329 G N -2.685 105.648 108.800 -0.779 0.000 2.432 329 G HA2 -0.373 nan 3.960 nan 0.000 0.219 329 G HA3 -0.373 nan 3.960 nan 0.000 0.219 329 G C 1.166 175.806 174.900 -0.434 0.000 1.135 329 G CA 2.368 46.987 45.100 -0.801 0.000 0.767 329 G HN 0.432 8.751 8.290 -0.692 -0.445 0.550 330 C N 1.867 120.943 119.300 -0.374 0.000 2.440 330 C HA -0.175 nan 4.460 nan 0.000 0.278 330 C C 2.318 177.190 174.990 -0.196 0.000 1.295 330 C CA 3.109 61.886 59.018 -0.403 0.000 1.738 330 C CB -1.833 25.770 27.740 -0.228 0.000 1.987 330 C HN -0.317 7.707 8.230 -0.317 0.016 0.492 331 R N -0.367 120.053 120.500 -0.134 0.000 2.066 331 R HA -0.197 nan 4.340 nan 0.000 0.232 331 R C 2.510 178.791 176.300 -0.031 0.000 1.131 331 R CA 2.355 58.424 56.100 -0.052 0.000 0.955 331 R CB -0.933 29.338 30.300 -0.047 0.000 0.851 331 R HN -0.403 7.765 8.270 -0.171 0.000 0.432 332 V N -3.452 116.418 119.914 -0.073 0.000 2.427 332 V HA -0.157 nan 4.120 nan 0.000 0.248 332 V C 1.413 177.521 176.094 0.024 0.000 1.051 332 V CA 3.509 65.801 62.300 -0.013 0.000 1.048 332 V CB -1.206 30.612 31.823 -0.008 0.000 0.666 332 V HN -0.422 7.681 8.190 -0.145 0.000 0.456 333 A N 0.894 123.700 122.820 -0.024 0.000 1.877 333 A HA -0.350 nan 4.320 nan 0.000 0.216 333 A C 1.816 179.539 177.584 0.232 0.000 1.186 333 A CA 3.261 55.333 52.037 0.059 0.000 0.620 333 A CB -0.731 18.182 19.000 -0.145 0.000 0.822 333 A HN -0.295 7.781 8.150 -0.124 0.000 0.443 334 I N -1.743 118.981 120.570 0.256 0.000 2.208 334 I HA -0.590 nan 4.170 nan 0.000 0.245 334 I C 1.878 178.133 176.117 0.231 0.000 1.097 334 I CA 3.830 65.341 61.300 0.352 0.000 1.363 334 I CB -0.282 37.836 38.000 0.197 0.000 1.051 334 I HN -0.363 7.934 8.210 0.145 0.000 0.413 335 A N -1.056 121.842 122.820 0.130 0.000 1.877 335 A HA -0.342 nan 4.320 nan 0.000 0.216 335 A C 1.730 179.372 177.584 0.096 0.000 1.186 335 A CA 3.204 55.297 52.037 0.093 0.000 0.620 335 A CB -1.009 18.033 19.000 0.071 0.000 0.822 335 A HN -0.196 8.017 8.150 0.105 0.000 0.443 336 A N -1.662 121.222 122.820 0.108 0.000 1.933 336 A HA -0.264 nan 4.320 nan 0.000 0.218 336 A C 2.293 179.968 177.584 0.152 0.000 1.175 336 A CA 2.921 55.012 52.037 0.089 0.000 0.628 336 A CB -0.741 18.321 19.000 0.104 0.000 0.814 336 A HN 0.216 8.329 8.150 0.116 0.107 0.444 337 L N -2.842 118.534 121.223 0.255 0.000 2.109 337 L HA -0.412 nan 4.340 nan 0.000 0.207 337 L C 2.311 179.398 176.870 0.360 0.000 1.086 337 L CA 3.016 58.064 54.840 0.347 0.000 0.760 337 L CB -0.228 42.038 42.059 0.346 0.000 0.910 337 L HN -0.082 8.295 8.230 0.271 0.016 0.437 338 E N -0.000 120.375 120.200 0.293 0.000 2.077 338 E HA -0.380 nan 4.350 nan 0.000 0.193 338 E C 2.437 179.114 176.600 0.128 0.000 0.989 338 E CA 3.493 60.020 56.400 0.212 0.000 0.800 338 E CB -0.163 29.607 29.700 0.116 0.000 0.746 338 E HN -0.498 7.950 8.360 0.277 0.079 0.452 339 V N 0.030 119.970 119.914 0.044 0.000 2.332 339 V HA -0.375 nan 4.120 nan 0.000 0.248 339 V C 2.155 178.233 176.094 -0.027 0.000 1.055 339 V CA 4.521 66.779 62.300 -0.069 0.000 1.038 339 V CB -1.029 30.587 31.823 -0.345 0.000 0.651 339 V HN -0.128 8.086 8.190 0.041 0.000 0.450 340 L N -2.484 118.749 121.223 0.016 0.000 2.046 340 L HA -0.483 nan 4.340 nan 0.000 0.208 340 L C 1.994 178.807 176.870 -0.096 0.000 1.077 340 L CA 3.371 58.176 54.840 -0.059 0.000 0.747 340 L CB -0.551 41.483 42.059 -0.041 0.000 0.896 340 L HN -0.686 7.587 8.230 0.071 0.000 0.432 341 E N -0.570 119.698 120.200 0.114 0.000 2.016 341 E HA -0.316 nan 4.350 nan 0.000 0.190 341 E C 2.872 179.518 176.600 0.076 0.000 0.985 341 E CA 3.118 59.619 56.400 0.168 0.000 0.802 341 E CB -0.124 29.800 29.700 0.373 0.000 0.762 341 E HN -0.491 7.931 8.360 0.234 0.078 0.448 342 E N 0.149 120.399 120.200 0.084 0.000 2.070 342 E HA -0.279 nan 4.350 nan 0.000 0.197 342 E C 2.234 178.855 176.600 0.034 0.000 1.004 342 E CA 2.653 59.089 56.400 0.059 0.000 0.805 342 E CB 0.064 29.803 29.700 0.065 0.000 0.744 342 E HN 0.076 8.503 8.360 0.112 0.000 0.451 343 E N -4.153 116.060 120.200 0.022 0.000 2.463 343 E HA 0.039 nan 4.350 nan 0.000 0.191 343 E C -0.940 175.648 176.600 -0.021 0.000 1.083 343 E CA -0.566 55.843 56.400 0.015 0.000 0.872 343 E CB -0.406 29.314 29.700 0.034 0.000 0.966 343 E HN -0.695 7.677 8.360 0.020 0.000 0.491 344 N N -1.954 116.719 118.700 -0.045 0.000 2.698 344 N HA -0.355 nan 4.740 nan 0.000 0.258 344 N C 0.364 175.807 175.510 -0.113 0.000 0.978 344 N CA 0.854 53.852 53.050 -0.086 0.000 0.777 344 N CB -1.309 37.147 38.487 -0.050 0.000 0.907 344 N HN -0.347 7.805 8.380 -0.027 0.212 0.543 345 L N -3.363 117.772 121.223 -0.146 0.000 2.265 345 L HA -0.329 nan 4.340 nan 0.000 0.215 345 L C 0.949 177.720 176.870 -0.164 0.000 1.117 345 L CA 2.988 57.746 54.840 -0.136 0.000 0.782 345 L CB -0.796 41.186 42.059 -0.130 0.000 0.914 345 L HN -0.423 7.709 8.230 -0.160 0.002 0.441 346 A N -0.568 122.100 122.820 -0.252 0.000 1.845 346 A HA -0.369 nan 4.320 nan 0.000 0.215 346 A C 1.520 179.025 177.584 -0.132 0.000 1.195 346 A CA 3.866 55.759 52.037 -0.239 0.000 0.616 346 A CB -1.080 17.695 19.000 -0.374 0.000 0.832 346 A HN 0.400 8.322 8.150 -0.324 0.033 0.443 347 E N -1.546 118.584 120.200 -0.117 0.000 2.110 347 E HA -0.396 nan 4.350 nan 0.000 0.193 347 E C 2.168 178.744 176.600 -0.039 0.000 0.988 347 E CA 2.851 59.213 56.400 -0.063 0.000 0.804 347 E CB -1.164 28.505 29.700 -0.053 0.000 0.745 347 E HN -0.104 8.168 8.360 -0.146 0.000 0.458 348 N N 0.492 119.164 118.700 -0.047 0.000 2.120 348 N HA -0.307 nan 4.740 nan 0.000 0.188 348 N C 1.767 177.262 175.510 -0.025 0.000 1.024 348 N CA 3.134 56.166 53.050 -0.030 0.000 0.852 348 N CB 0.242 38.710 38.487 -0.031 0.000 1.003 348 N HN -0.696 7.644 8.380 -0.066 0.000 0.424 349 A N -0.562 122.237 122.820 -0.036 0.000 1.902 349 A HA -0.286 nan 4.320 nan 0.000 0.217 349 A C 2.159 179.749 177.584 0.010 0.000 1.181 349 A CA 3.155 55.180 52.037 -0.020 0.000 0.623 349 A CB -0.756 18.227 19.000 -0.029 0.000 0.818 349 A HN 0.024 8.067 8.150 -0.056 0.073 0.443 350 D N -1.573 118.838 120.400 0.018 0.000 2.084 350 D HA -0.251 nan 4.640 nan 0.000 0.194 350 D C 2.347 178.671 176.300 0.040 0.000 0.990 350 D CA 2.976 57.008 54.000 0.054 0.000 0.826 350 D CB -0.048 40.786 40.800 0.056 0.000 0.971 350 D HN -0.224 8.063 8.370 -0.005 0.080 0.453 351 K N -0.615 119.797 120.400 0.021 0.000 1.991 351 K HA -0.306 nan 4.320 nan 0.000 0.212 351 K C 2.807 179.416 176.600 0.015 0.000 1.049 351 K CA 3.319 59.617 56.287 0.017 0.000 0.932 351 K CB 0.065 32.570 32.500 0.009 0.000 0.717 351 K HN -0.329 7.927 8.250 0.011 0.000 0.441 352 L N -2.473 118.756 121.223 0.009 0.000 2.131 352 L HA -0.321 nan 4.340 nan 0.000 0.210 352 L C 2.197 179.075 176.870 0.012 0.000 1.092 352 L CA 2.574 57.418 54.840 0.006 0.000 0.759 352 L CB -0.646 41.411 42.059 -0.004 0.000 0.903 352 L HN -0.132 8.100 8.230 0.004 0.000 0.435 353 G N -0.600 108.212 108.800 0.019 0.000 2.418 353 G HA2 -0.379 nan 3.960 nan 0.000 0.217 353 G HA3 -0.379 nan 3.960 nan 0.000 0.217 353 G C 0.945 175.863 174.900 0.030 0.000 1.158 353 G CA 2.075 47.193 45.100 0.030 0.000 0.771 353 G HN -0.218 8.067 8.290 0.019 0.017 0.545 354 I N 2.426 123.012 120.570 0.028 0.000 2.226 354 I HA -0.479 nan 4.170 nan 0.000 0.245 354 I C 1.544 177.672 176.117 0.018 0.000 1.100 354 I CA 3.574 64.888 61.300 0.024 0.000 1.374 354 I CB 0.128 38.144 38.000 0.026 0.000 1.057 354 I HN -0.716 7.512 8.210 0.030 0.000 0.413 355 I N -0.351 120.227 120.570 0.014 0.000 2.163 355 I HA -0.530 nan 4.170 nan 0.000 0.240 355 I C 1.837 177.955 176.117 0.002 0.000 1.081 355 I CA 4.149 65.453 61.300 0.006 0.000 1.353 355 I CB -0.129 37.873 38.000 0.003 0.000 1.054 355 I HN -0.784 7.353 8.210 0.015 0.082 0.407 356 L N -0.340 120.887 121.223 0.007 0.000 2.013 356 L HA -0.457 nan 4.340 nan 0.000 0.212 356 L C 1.795 178.669 176.870 0.007 0.000 1.073 356 L CA 3.644 58.486 54.840 0.004 0.000 0.753 356 L CB -0.517 41.563 42.059 0.034 0.000 0.890 356 L HN 0.167 8.405 8.230 0.013 0.000 0.432 357 R N -1.655 118.861 120.500 0.026 0.000 2.066 357 R HA -0.442 nan 4.340 nan 0.000 0.232 357 R C 2.424 178.736 176.300 0.020 0.000 1.131 357 R CA 4.038 60.158 56.100 0.033 0.000 0.955 357 R CB -0.343 29.979 30.300 0.036 0.000 0.851 357 R HN 0.344 8.631 8.270 0.029 0.000 0.432 358 N N -1.119 117.589 118.700 0.013 0.000 2.149 358 N HA -0.300 nan 4.740 nan 0.000 0.188 358 N C 1.785 177.296 175.510 0.002 0.000 1.019 358 N CA 2.819 55.874 53.050 0.009 0.000 0.857 358 N CB -0.566 37.925 38.487 0.007 0.000 0.997 358 N HN -0.264 8.124 8.380 0.014 0.000 0.426 359 E N -1.610 118.585 120.200 -0.009 0.000 2.107 359 E HA -0.157 nan 4.350 nan 0.000 0.191 359 E C 2.741 179.328 176.600 -0.022 0.000 0.982 359 E CA 1.603 57.989 56.400 -0.023 0.000 0.809 359 E CB 0.031 29.705 29.700 -0.044 0.000 0.756 359 E HN -0.391 7.953 8.360 -0.009 0.011 0.459 360 L N 0.197 121.410 121.223 -0.017 0.000 2.141 360 L HA -0.275 nan 4.340 nan 0.000 0.209 360 L C 2.372 179.259 176.870 0.027 0.000 1.094 360 L CA 2.809 57.649 54.840 0.001 0.000 0.763 360 L CB -0.064 42.014 42.059 0.031 0.000 0.908 360 L HN -0.070 8.151 8.230 -0.015 0.000 0.437 361 M N -4.487 115.129 119.600 0.025 0.000 2.632 361 M HA -0.277 nan 4.480 nan 0.000 0.256 361 M C 0.872 177.186 176.300 0.023 0.000 1.080 361 M CA 2.163 57.480 55.300 0.029 0.000 1.084 361 M CB -0.392 32.223 32.600 0.025 0.000 1.439 361 M HN -0.316 7.970 8.290 0.020 0.015 0.509 362 K N -3.045 117.365 120.400 0.016 0.000 2.361 362 K HA -0.074 nan 4.320 nan 0.000 0.196 362 K C 0.171 176.783 176.600 0.018 0.000 1.039 362 K CA -0.162 56.133 56.287 0.012 0.000 1.001 362 K CB 0.424 32.926 32.500 0.002 0.000 0.795 362 K HN -0.671 7.397 8.250 0.011 0.189 0.495 363 L N 1.672 122.912 121.223 0.028 0.000 2.467 363 L HA 0.005 nan 4.340 nan 0.000 0.270 363 L C -1.326 175.572 176.870 0.047 0.000 1.205 363 L CA -1.841 53.024 54.840 0.043 0.000 0.828 363 L CB -0.488 41.611 42.059 0.067 0.000 1.101 363 L HN -0.639 7.457 8.230 0.029 0.152 0.479 364 P HA 0.053 nan 4.420 nan 0.000 0.267 364 P C 0.647 177.983 177.300 0.060 0.000 1.209 364 P CA -0.139 62.986 63.100 0.042 0.000 0.763 364 P CB 0.700 32.416 31.700 0.027 0.000 0.816 365 S N 3.988 119.718 115.700 0.050 0.000 2.402 365 S HA -0.293 nan 4.470 nan 0.000 0.233 365 S C 0.130 174.773 174.600 0.071 0.000 1.030 365 S CA 2.731 60.965 58.200 0.056 0.000 1.003 365 S CB -0.197 63.027 63.200 0.040 0.000 0.813 365 S HN 0.531 8.864 8.310 0.039 0.000 0.477 366 D N -2.378 118.061 120.400 0.065 0.000 2.324 366 D HA -0.005 nan 4.640 nan 0.000 0.235 366 D C -0.109 176.271 176.300 0.133 0.000 1.095 366 D CA 0.499 54.545 54.000 0.077 0.000 0.871 366 D CB -0.490 40.336 40.800 0.042 0.000 0.906 366 D HN -0.019 8.348 8.370 0.049 0.033 0.522 367 V N -1.436 118.584 119.914 0.176 0.000 3.442 367 V HA 0.170 nan 4.120 nan 0.000 0.205 367 V C -1.148 175.144 176.094 0.331 0.000 1.320 367 V CA 1.799 64.309 62.300 0.349 0.000 1.306 367 V CB 3.344 35.298 31.823 0.219 0.000 1.267 367 V HN -0.387 7.769 8.190 0.138 0.117 0.538 368 V N 0.442 120.476 119.914 0.199 0.000 2.318 368 V HA 0.194 nan 4.120 nan 0.000 0.271 368 V C 0.139 176.287 176.094 0.090 0.000 1.030 368 V CA 0.148 62.528 62.300 0.133 0.000 0.844 368 V CB -0.452 31.446 31.823 0.126 0.000 1.015 368 V HN -0.167 8.122 8.190 0.165 0.000 0.460 369 T N 2.295 116.888 114.554 0.066 0.000 3.043 369 T HA 0.032 nan 4.350 nan 0.000 0.263 369 T C 0.053 174.775 174.700 0.037 0.000 1.094 369 T CA 0.300 62.429 62.100 0.047 0.000 1.127 369 T CB 0.336 69.224 68.868 0.034 0.000 0.905 369 T HN 0.592 8.864 8.240 0.054 0.000 0.490 370 A N 0.345 123.188 122.820 0.037 0.000 2.604 370 A HA 0.289 nan 4.320 nan 0.000 0.295 370 A C -2.818 174.794 177.584 0.047 0.000 1.067 370 A CA -0.340 51.718 52.037 0.035 0.000 0.683 370 A CB 2.287 21.301 19.000 0.022 0.000 1.281 370 A HN -0.717 7.421 8.150 0.041 0.036 0.407 371 V N 0.749 120.692 119.914 0.049 0.000 2.577 371 V HA 0.702 nan 4.120 nan 0.000 0.303 371 V C -1.213 174.912 176.094 0.052 0.000 1.042 371 V CA -0.892 61.448 62.300 0.066 0.000 0.872 371 V CB 1.898 33.762 31.823 0.069 0.000 0.998 371 V HN 0.281 8.495 8.190 0.040 0.000 0.423 372 R N 4.062 124.597 120.500 0.059 0.000 2.710 372 R HA 0.555 nan 4.340 nan 0.000 0.270 372 R C -2.089 174.242 176.300 0.051 0.000 1.021 372 R CA -1.896 54.231 56.100 0.044 0.000 0.889 372 R CB 3.764 34.085 30.300 0.034 0.000 1.243 372 R HN 0.998 9.314 8.270 0.076 0.000 0.464 373 G N -1.109 107.712 108.800 0.034 0.000 2.362 373 G HA2 0.010 nan 3.960 nan 0.000 0.288 373 G HA3 0.010 nan 3.960 nan 0.000 0.288 373 G C -2.764 172.139 174.900 0.005 0.000 1.305 373 G CA 0.099 45.220 45.100 0.035 0.000 0.910 373 G HN 0.014 8.316 8.290 0.020 0.000 0.518 374 K N -0.123 120.283 120.400 0.010 0.000 2.543 374 K HA 0.346 nan 4.320 nan 0.000 0.255 374 K C -0.066 176.562 176.600 0.046 0.000 0.934 374 K CA -0.982 55.294 56.287 -0.017 0.000 0.810 374 K CB 3.719 36.160 32.500 -0.099 0.000 1.315 374 K HN 0.294 8.565 8.250 0.034 0.000 0.433 375 G N 3.649 112.490 108.800 0.068 0.000 2.596 375 G HA2 -0.373 nan 3.960 nan 0.000 0.295 375 G HA3 -0.373 nan 3.960 nan 0.000 0.295 375 G C 0.193 175.120 174.900 0.045 0.000 1.240 375 G CA 1.280 46.424 45.100 0.074 0.000 0.985 375 G HN 0.509 8.836 8.290 0.061 0.000 0.555 376 L N 1.551 122.790 121.223 0.027 0.000 2.688 376 L HA 0.324 nan 4.340 nan 0.000 0.234 376 L C -0.930 175.954 176.870 0.023 0.000 1.192 376 L CA -1.223 53.620 54.840 0.006 0.000 0.984 376 L CB -1.587 40.444 42.059 -0.047 0.000 1.232 376 L HN -0.163 8.083 8.230 0.027 0.000 0.465 377 L N 1.746 122.998 121.223 0.048 0.000 2.335 377 L HA 0.324 nan 4.340 nan 0.000 0.268 377 L C -2.689 174.224 176.870 0.072 0.000 1.037 377 L CA -1.061 53.815 54.840 0.059 0.000 0.895 377 L CB 0.490 42.587 42.059 0.063 0.000 1.266 377 L HN -0.103 8.068 8.230 0.052 0.091 0.439 378 N N 4.735 123.495 118.700 0.100 0.000 2.629 378 N HA 0.846 nan 4.740 nan 0.000 0.279 378 N C -2.488 173.091 175.510 0.116 0.000 1.344 378 N CA -1.044 52.078 53.050 0.120 0.000 0.789 378 N CB 4.827 43.414 38.487 0.168 0.000 1.508 378 N HN -0.441 8.007 8.380 0.114 0.000 0.516 379 A N -1.793 121.089 122.820 0.104 0.000 2.605 379 A HA 0.852 nan 4.320 nan 0.000 0.294 379 A C -2.923 174.700 177.584 0.065 0.000 1.062 379 A CA -0.286 51.769 52.037 0.030 0.000 0.682 379 A CB 3.551 22.543 19.000 -0.014 0.000 1.278 379 A HN 0.966 9.183 8.150 0.111 0.000 0.410 380 I N -5.230 115.351 120.570 0.019 0.000 2.689 380 I HA 0.884 nan 4.170 nan 0.000 0.299 380 I C -1.804 174.304 176.117 -0.015 0.000 1.059 380 I CA -2.393 58.942 61.300 0.059 0.000 1.055 380 I CB 3.487 41.588 38.000 0.168 0.000 1.243 380 I HN 0.425 8.575 8.210 -0.101 0.000 0.425 381 V N 3.546 123.457 119.914 -0.005 0.000 2.333 381 V HA 0.537 nan 4.120 nan 0.000 0.274 381 V C -0.613 175.446 176.094 -0.059 0.000 1.028 381 V CA -1.395 60.880 62.300 -0.041 0.000 0.851 381 V CB -0.181 31.628 31.823 -0.022 0.000 1.000 381 V HN 0.565 8.664 8.190 0.023 0.105 0.456 382 I N 8.118 128.596 120.570 -0.153 0.000 2.416 382 I HA 0.178 nan 4.170 nan 0.000 0.288 382 I C -0.680 175.283 176.117 -0.257 0.000 1.051 382 I CA -2.290 58.840 61.300 -0.283 0.000 1.375 382 I CB -0.262 37.378 38.000 -0.600 0.000 1.407 382 I HN 0.713 8.820 8.210 -0.172 0.000 0.516 383 K N 9.081 129.429 120.400 -0.087 0.000 2.237 383 K HA -0.154 nan 4.320 nan 0.000 0.283 383 K C -1.032 175.532 176.600 -0.060 0.000 1.080 383 K CA -0.290 56.002 56.287 0.008 0.000 0.965 383 K CB 0.010 32.606 32.500 0.160 0.000 1.098 383 K HN 0.611 8.886 8.250 0.042 0.000 0.434 384 E N 6.226 126.322 120.200 -0.173 0.000 2.417 384 E HA -0.134 nan 4.350 nan 0.000 0.261 384 E C -0.540 176.069 176.600 0.014 0.000 1.000 384 E CA 0.736 57.015 56.400 -0.202 0.000 0.919 384 E CB 0.716 30.321 29.700 -0.159 0.000 0.955 384 E HN -0.263 8.007 8.360 -0.150 0.000 0.455 385 T N 3.858 118.494 114.554 0.137 0.000 2.645 385 T HA 0.298 nan 4.350 nan 0.000 0.273 385 T C -0.452 174.342 174.700 0.157 0.000 0.960 385 T CA -1.607 60.610 62.100 0.196 0.000 1.051 385 T CB 1.026 70.071 68.868 0.295 0.000 1.366 385 T HN 0.312 8.625 8.240 0.122 0.000 0.536 386 K N -0.811 119.667 120.400 0.130 0.000 2.589 386 K HA -0.020 nan 4.320 nan 0.000 0.192 386 K C -0.934 175.738 176.600 0.120 0.000 1.029 386 K CA 0.898 57.243 56.287 0.097 0.000 1.031 386 K CB -0.474 32.067 32.500 0.069 0.000 0.821 386 K HN 0.186 8.509 8.250 0.123 0.000 0.502 387 D N -2.273 118.239 120.400 0.188 0.000 3.118 387 D HA 0.193 nan 4.640 nan 0.000 0.222 387 D C -1.463 175.022 176.300 0.309 0.000 1.470 387 D CA 0.665 54.790 54.000 0.209 0.000 1.347 387 D CB 1.750 42.646 40.800 0.160 0.000 1.221 387 D HN -0.581 7.823 8.370 0.253 0.118 0.326 388 W N -1.884 119.421 121.300 0.008 0.000 2.485 388 W HA 0.484 nan 4.660 nan 0.000 0.364 388 W C -2.273 174.199 176.519 -0.078 0.000 1.171 388 W CA -2.831 54.477 57.345 -0.063 0.000 1.304 388 W CB 1.616 30.911 29.460 -0.275 0.000 1.335 388 W HN -0.657 7.972 8.180 0.749 0.000 0.643 389 D N -4.698 115.509 120.400 -0.322 0.000 2.677 389 D HA 0.202 nan 4.640 nan 0.000 0.298 389 D C -0.423 175.615 176.300 -0.437 0.000 1.250 389 D CA -0.741 53.005 54.000 -0.424 0.000 0.888 389 D CB 2.342 43.061 40.800 -0.135 0.000 1.397 389 D HN -0.271 7.997 8.370 -0.170 0.000 0.461 390 A N -1.585 121.038 122.820 -0.329 0.000 1.940 390 A HA -0.239 nan 4.320 nan 0.000 0.219 390 A C 1.488 179.035 177.584 -0.061 0.000 1.176 390 A CA 3.224 55.117 52.037 -0.240 0.000 0.631 390 A CB -0.312 18.587 19.000 -0.167 0.000 0.814 390 A HN 0.317 8.298 8.150 -0.282 0.000 0.446 391 W N -1.206 120.005 121.300 -0.148 0.000 2.355 391 W HA -0.450 nan 4.660 nan 0.000 0.309 391 W C 1.518 178.025 176.519 -0.021 0.000 1.206 391 W CA 3.277 60.580 57.345 -0.071 0.000 1.284 391 W CB 0.069 29.506 29.460 -0.038 0.000 1.145 391 W HN -0.535 7.816 8.180 0.174 -0.066 0.502 392 K N -2.355 118.120 120.400 0.124 0.000 2.097 392 K HA -0.427 nan 4.320 nan 0.000 0.206 392 K C 2.302 179.007 176.600 0.176 0.000 1.049 392 K CA 3.576 59.948 56.287 0.141 0.000 0.933 392 K CB -0.151 32.508 32.500 0.265 0.000 0.717 392 K HN -0.536 8.094 8.250 0.184 -0.270 0.442 393 V N 0.000 119.922 119.914 0.013 0.000 2.343 393 V HA -0.381 nan 4.120 nan 0.000 0.247 393 V C 1.887 178.040 176.094 0.099 0.000 1.051 393 V CA 4.487 66.852 62.300 0.107 0.000 1.036 393 V CB -0.897 30.864 31.823 -0.103 0.000 0.654 393 V HN -0.447 7.666 8.190 -0.128 0.000 0.451 394 C N -0.495 118.761 119.300 -0.074 0.000 2.435 394 C HA -0.297 nan 4.460 nan 0.000 0.279 394 C C 2.141 177.006 174.990 -0.207 0.000 1.321 394 C CA 4.568 63.492 59.018 -0.158 0.000 1.752 394 C CB -2.159 25.415 27.740 -0.277 0.000 1.959 394 C HN -0.364 7.727 8.230 -0.117 0.069 0.500 395 L N -0.244 120.823 121.223 -0.259 0.000 2.056 395 L HA -0.440 nan 4.340 nan 0.000 0.207 395 L C 2.082 178.924 176.870 -0.045 0.000 1.078 395 L CA 3.417 58.123 54.840 -0.224 0.000 0.749 395 L CB -0.566 41.366 42.059 -0.211 0.000 0.901 395 L HN 0.110 8.067 8.230 -0.268 0.112 0.433 396 R N -0.837 119.701 120.500 0.064 0.000 2.090 396 R HA -0.275 nan 4.340 nan 0.000 0.228 396 R C 2.653 178.994 176.300 0.068 0.000 1.110 396 R CA 3.206 59.350 56.100 0.074 0.000 0.973 396 R CB -0.015 30.346 30.300 0.102 0.000 0.869 396 R HN -0.347 8.006 8.270 0.138 0.000 0.440 397 L N -1.032 120.244 121.223 0.087 0.000 2.083 397 L HA -0.333 nan 4.340 nan 0.000 0.209 397 L C 1.469 178.382 176.870 0.071 0.000 1.083 397 L CA 3.031 57.916 54.840 0.075 0.000 0.752 397 L CB -0.334 41.772 42.059 0.078 0.000 0.899 397 L HN 0.407 8.595 8.230 0.106 0.106 0.433 398 R N -0.819 119.706 120.500 0.041 0.000 2.073 398 R HA -0.376 nan 4.340 nan 0.000 0.234 398 R C 2.345 178.756 176.300 0.185 0.000 1.134 398 R CA 3.618 59.766 56.100 0.079 0.000 0.952 398 R CB -0.492 29.779 30.300 -0.047 0.000 0.850 398 R HN -0.131 8.132 8.270 -0.005 0.004 0.433 399 D N -0.292 120.167 120.400 0.099 0.000 2.263 399 D HA -0.146 nan 4.640 nan 0.000 0.208 399 D C 1.413 177.750 176.300 0.061 0.000 0.971 399 D CA 2.614 56.663 54.000 0.082 0.000 0.867 399 D CB -0.605 40.216 40.800 0.035 0.000 0.929 399 D HN -0.232 8.092 8.370 0.054 0.079 0.492 400 N N -3.704 115.035 118.700 0.065 0.000 2.270 400 N HA 0.116 nan 4.740 nan 0.000 0.198 400 N C -0.259 175.292 175.510 0.068 0.000 1.117 400 N CA -0.095 52.981 53.050 0.042 0.000 0.845 400 N CB 0.763 39.265 38.487 0.024 0.000 0.980 400 N HN -0.590 7.676 8.380 0.076 0.160 0.486 401 G N -1.687 107.186 108.800 0.122 0.000 2.131 401 G HA2 -0.301 nan 3.960 nan 0.000 0.201 401 G HA3 -0.301 nan 3.960 nan 0.000 0.201 401 G C -2.128 172.972 174.900 0.333 0.000 1.000 401 G CA 0.067 45.258 45.100 0.152 0.000 0.680 401 G HN -0.069 8.147 8.290 0.170 0.176 0.514 402 L N -1.363 120.035 121.223 0.291 0.000 2.436 402 L HA 0.827 nan 4.340 nan 0.000 0.268 402 L C -2.212 174.751 176.870 0.156 0.000 0.974 402 L CA -0.954 54.026 54.840 0.232 0.000 0.826 402 L CB 2.779 44.841 42.059 0.004 0.000 1.291 402 L HN -0.323 8.052 8.230 0.242 0.000 0.406 403 L N 5.468 126.785 121.223 0.157 0.000 2.296 403 L HA 0.447 nan 4.340 nan 0.000 0.286 403 L C -1.878 175.047 176.870 0.091 0.000 1.023 403 L CA -1.001 53.858 54.840 0.032 0.000 0.812 403 L CB 1.647 43.663 42.059 -0.070 0.000 1.223 403 L HN 0.939 9.323 8.230 0.257 0.000 0.421 404 A N 3.064 125.887 122.820 0.005 0.000 2.602 404 A HA 0.488 nan 4.320 nan 0.000 0.290 404 A C -1.776 175.745 177.584 -0.105 0.000 1.114 404 A CA -0.537 51.493 52.037 -0.010 0.000 0.683 404 A CB 3.035 22.041 19.000 0.010 0.000 1.281 404 A HN 0.011 8.124 8.150 -0.062 0.000 0.416 405 K N -1.386 118.945 120.400 -0.116 0.000 2.501 405 K HA 0.494 nan 4.320 nan 0.000 0.252 405 K C -2.723 173.833 176.600 -0.073 0.000 0.934 405 K CA -3.504 52.734 56.287 -0.082 0.000 0.797 405 K CB 2.486 34.959 32.500 -0.046 0.000 1.270 405 K HN 0.416 8.590 8.250 -0.125 0.000 0.431 406 P HA 0.219 nan 4.420 nan 0.000 0.276 406 P C -0.085 177.195 177.300 -0.033 0.000 1.253 406 P CA -0.370 62.711 63.100 -0.032 0.000 0.766 406 P CB 0.182 31.907 31.700 0.042 0.000 0.845 407 T N 0.794 115.306 114.554 -0.070 0.000 2.732 407 T HA -0.136 nan 4.350 nan 0.000 0.261 407 T C 0.538 175.065 174.700 -0.288 0.000 1.040 407 T CA 1.905 63.924 62.100 -0.135 0.000 1.145 407 T CB 0.220 69.051 68.868 -0.062 0.000 0.866 407 T HN 0.247 8.443 8.240 -0.073 0.000 0.427 408 H N 1.215 120.250 119.070 -0.058 0.000 2.471 408 H HA 0.263 nan 4.556 nan 0.000 0.234 408 H C 0.152 175.441 175.328 -0.065 0.000 1.388 408 H CA -0.596 55.415 56.048 -0.061 0.000 1.198 408 H CB -0.379 29.347 29.762 -0.061 0.000 1.714 408 H HN -0.372 7.927 8.280 0.031 0.000 0.536 409 G N 3.344 112.143 108.800 -0.003 0.000 2.435 409 G HA2 -0.450 nan 3.960 nan 0.000 0.245 409 G HA3 -0.450 nan 3.960 nan 0.000 0.245 409 G C -0.152 174.713 174.900 -0.060 0.000 1.073 409 G CA 1.725 46.809 45.100 -0.027 0.000 0.638 409 G HN 0.518 8.787 8.290 -0.035 0.000 0.521 410 D N -1.519 118.841 120.400 -0.066 0.000 2.538 410 D HA 0.148 nan 4.640 nan 0.000 0.241 410 D C -1.624 174.598 176.300 -0.130 0.000 1.297 410 D CA -0.667 53.253 54.000 -0.133 0.000 0.804 410 D CB 1.225 41.945 40.800 -0.133 0.000 1.122 410 D HN -0.299 7.965 8.370 -0.025 0.091 0.519 411 I N -1.040 119.479 120.570 -0.086 0.000 2.460 411 I HA 0.595 nan 4.170 nan 0.000 0.298 411 I C -1.155 174.878 176.117 -0.139 0.000 0.989 411 I CA -1.131 60.116 61.300 -0.089 0.000 1.173 411 I CB 2.572 40.555 38.000 -0.029 0.000 1.338 411 I HN -0.656 7.520 8.210 -0.056 0.000 0.456 412 I N 4.618 125.059 120.570 -0.214 0.000 2.447 412 I HA 0.357 nan 4.170 nan 0.000 0.287 412 I C -1.961 173.851 176.117 -0.509 0.000 1.023 412 I CA -1.371 59.709 61.300 -0.366 0.000 1.083 412 I CB 2.753 40.474 38.000 -0.466 0.000 1.245 412 I HN 0.660 8.755 8.210 -0.191 0.000 0.434 413 R N 6.824 127.088 120.500 -0.394 0.000 2.390 413 R HA 0.232 nan 4.340 nan 0.000 0.291 413 R C -0.659 175.415 176.300 -0.378 0.000 1.070 413 R CA -0.254 55.678 56.100 -0.279 0.000 1.014 413 R CB 1.532 31.774 30.300 -0.097 0.000 1.007 413 R HN -0.236 7.858 8.270 -0.294 0.000 0.466 414 F N 6.795 126.817 119.950 0.121 0.000 2.443 414 F HA 0.141 nan 4.527 nan 0.000 0.369 414 F C -2.017 173.859 175.800 0.128 0.000 1.090 414 F CA -1.648 56.506 58.000 0.257 0.000 1.129 414 F CB 1.024 40.197 39.000 0.288 0.000 1.367 414 F HN 0.538 8.765 8.300 0.072 0.116 0.465 415 A N 4.051 126.974 122.820 0.171 0.000 2.646 415 A HA 0.470 nan 4.320 nan 0.000 0.312 415 A C -2.598 174.844 177.584 -0.236 0.000 1.245 415 A CA -2.516 49.499 52.037 -0.037 0.000 0.755 415 A CB 0.831 19.833 19.000 0.004 0.000 1.132 415 A HN 0.292 8.471 8.150 0.218 0.102 0.458 416 P HA 0.365 nan 4.420 nan 0.000 0.284 416 P C -2.467 174.653 177.300 -0.299 0.000 1.258 416 P CA -2.272 60.443 63.100 -0.641 0.000 0.824 416 P CB -0.398 30.562 31.700 -1.234 0.000 1.038 417 P HA -0.109 nan 4.420 nan 0.000 0.265 417 P C 0.437 177.677 177.300 -0.100 0.000 1.187 417 P CA 0.600 63.634 63.100 -0.110 0.000 0.766 417 P CB 0.050 31.714 31.700 -0.060 0.000 0.820 418 L N 3.501 124.681 121.223 -0.071 0.000 2.642 418 L HA -0.273 nan 4.340 nan 0.000 0.236 418 L C 0.589 177.436 176.870 -0.038 0.000 1.169 418 L CA 2.351 57.155 54.840 -0.060 0.000 0.851 418 L CB -0.988 41.036 42.059 -0.059 0.000 0.968 418 L HN 0.309 8.407 8.230 -0.063 0.094 0.453 419 V N -7.971 111.932 119.914 -0.018 0.000 3.649 419 V HA 0.104 nan 4.120 nan 0.000 0.275 419 V C 0.217 176.315 176.094 0.007 0.000 1.281 419 V CA -1.710 60.599 62.300 0.014 0.000 1.143 419 V CB -1.059 30.801 31.823 0.061 0.000 0.892 419 V HN -0.500 7.584 8.190 -0.024 0.092 0.441 420 I N 0.345 120.901 120.570 -0.023 0.000 2.752 420 I HA -0.200 nan 4.170 nan 0.000 0.287 420 I C -0.639 175.485 176.117 0.011 0.000 1.188 420 I CA 1.091 62.383 61.300 -0.014 0.000 1.427 420 I CB 0.822 38.788 38.000 -0.058 0.000 1.365 420 I HN -0.594 7.518 8.210 -0.047 0.069 0.585 421 K N 6.615 127.040 120.400 0.041 0.000 2.123 421 K HA 0.292 nan 4.320 nan 0.000 0.248 421 K C 0.221 176.848 176.600 0.045 0.000 0.969 421 K CA -1.652 54.662 56.287 0.045 0.000 0.882 421 K CB 1.478 34.016 32.500 0.063 0.000 1.080 421 K HN -0.130 8.392 8.250 0.061 -0.235 0.441 422 E N 2.774 122.994 120.200 0.033 0.000 2.070 422 E HA -0.474 nan 4.350 nan 0.000 0.197 422 E C 1.429 178.048 176.600 0.032 0.000 1.004 422 E CA 4.236 60.651 56.400 0.026 0.000 0.805 422 E CB -0.392 29.320 29.700 0.020 0.000 0.744 422 E HN 0.794 9.172 8.360 0.030 0.000 0.451 423 D N -3.473 116.957 120.400 0.049 0.000 2.117 423 D HA -0.264 nan 4.640 nan 0.000 0.197 423 D C 2.389 178.741 176.300 0.086 0.000 0.987 423 D CA 3.386 57.422 54.000 0.060 0.000 0.829 423 D CB -1.268 39.574 40.800 0.070 0.000 0.961 423 D HN 0.407 8.807 8.370 0.051 0.000 0.460 424 E N 0.385 120.662 120.200 0.129 0.000 2.106 424 E HA -0.253 nan 4.350 nan 0.000 0.192 424 E C 2.488 179.120 176.600 0.054 0.000 0.984 424 E CA 2.239 58.775 56.400 0.226 0.000 0.806 424 E CB -0.346 29.530 29.700 0.294 0.000 0.750 424 E HN -0.793 7.636 8.360 0.115 0.000 0.458 425 L N 0.114 121.351 121.223 0.023 0.000 2.056 425 L HA -0.300 nan 4.340 nan 0.000 0.207 425 L C 1.759 178.578 176.870 -0.086 0.000 1.078 425 L CA 3.062 57.891 54.840 -0.019 0.000 0.749 425 L CB -0.212 41.852 42.059 0.009 0.000 0.901 425 L HN 0.368 8.528 8.230 0.048 0.099 0.433 426 R N -1.332 119.138 120.500 -0.050 0.000 2.081 426 R HA -0.395 nan 4.340 nan 0.000 0.235 426 R C 2.224 178.468 176.300 -0.094 0.000 1.131 426 R CA 3.023 59.088 56.100 -0.059 0.000 0.960 426 R CB -0.786 29.503 30.300 -0.018 0.000 0.856 426 R HN 0.261 8.324 8.270 -0.012 0.199 0.436 427 E N -0.632 119.522 120.200 -0.076 0.000 2.077 427 E HA -0.315 nan 4.350 nan 0.000 0.193 427 E C 2.393 178.840 176.600 -0.256 0.000 0.989 427 E CA 3.203 59.562 56.400 -0.069 0.000 0.800 427 E CB -0.135 29.636 29.700 0.117 0.000 0.746 427 E HN -0.052 8.291 8.360 -0.028 0.000 0.452 428 S N -0.215 115.144 115.700 -0.567 0.000 2.383 428 S HA -0.267 nan 4.470 nan 0.000 0.227 428 S C 2.352 176.630 174.600 -0.538 0.000 1.026 428 S CA 3.309 61.028 58.200 -0.802 0.000 0.981 428 S CB -0.042 62.484 63.200 -1.123 0.000 0.818 428 S HN -0.397 7.579 8.310 -0.557 0.000 0.472 429 I N 3.020 123.365 120.570 -0.376 0.000 2.208 429 I HA -0.516 nan 4.170 nan 0.000 0.245 429 I C 1.836 177.815 176.117 -0.229 0.000 1.097 429 I CA 4.237 65.357 61.300 -0.300 0.000 1.363 429 I CB -0.428 37.461 38.000 -0.185 0.000 1.051 429 I HN 0.463 8.483 8.210 -0.317 0.000 0.413 430 E N -0.465 119.629 120.200 -0.177 0.000 2.110 430 E HA -0.289 nan 4.350 nan 0.000 0.193 430 E C 2.787 179.318 176.600 -0.115 0.000 0.988 430 E CA 2.941 59.272 56.400 -0.115 0.000 0.804 430 E CB -0.637 29.018 29.700 -0.075 0.000 0.745 430 E HN -0.375 7.789 8.360 -0.180 0.088 0.458 431 I N 0.098 120.573 120.570 -0.158 0.000 2.252 431 I HA -0.434 nan 4.170 nan 0.000 0.245 431 I C 2.003 178.044 176.117 -0.127 0.000 1.102 431 I CA 3.906 65.132 61.300 -0.124 0.000 1.385 431 I CB -0.069 37.849 38.000 -0.137 0.000 1.064 431 I HN -0.580 7.384 8.210 -0.213 0.118 0.414 432 I N 0.293 120.729 120.570 -0.223 0.000 2.179 432 I HA -0.688 nan 4.170 nan 0.000 0.242 432 I C 1.774 177.849 176.117 -0.070 0.000 1.088 432 I CA 4.754 65.936 61.300 -0.196 0.000 1.357 432 I CB -0.511 37.228 38.000 -0.434 0.000 1.051 432 I HN 0.215 8.161 8.210 -0.313 0.077 0.409 433 N N -0.077 118.572 118.700 -0.086 0.000 2.058 433 N HA -0.345 nan 4.740 nan 0.000 0.191 433 N C 2.163 177.673 175.510 -0.001 0.000 1.037 433 N CA 3.517 56.548 53.050 -0.032 0.000 0.848 433 N CB -0.305 38.154 38.487 -0.047 0.000 1.021 433 N HN 0.056 8.354 8.380 -0.136 0.000 0.422 434 K N -1.282 119.107 120.400 -0.019 0.000 2.147 434 K HA -0.251 nan 4.320 nan 0.000 0.205 434 K C 1.418 178.022 176.600 0.006 0.000 1.049 434 K CA 2.883 59.162 56.287 -0.014 0.000 0.936 434 K CB -0.535 31.948 32.500 -0.028 0.000 0.722 434 K HN -0.086 8.139 8.250 -0.041 0.000 0.446 435 T N 0.480 115.059 114.554 0.040 0.000 2.732 435 T HA -0.113 nan 4.350 nan 0.000 0.261 435 T C 2.506 177.373 174.700 0.278 0.000 1.040 435 T CA 3.330 65.494 62.100 0.107 0.000 1.145 435 T CB -0.039 68.921 68.868 0.153 0.000 0.866 435 T HN -0.585 7.658 8.240 0.024 0.012 0.427 436 I N 2.557 123.298 120.570 0.286 0.000 2.163 436 I HA -0.355 nan 4.170 nan 0.000 0.243 436 I C 1.806 178.082 176.117 0.265 0.000 1.085 436 I CA 2.540 64.061 61.300 0.369 0.000 1.347 436 I CB -1.006 37.139 38.000 0.242 0.000 1.044 436 I HN 0.190 8.512 8.210 0.186 0.000 0.408 437 L N -2.145 119.151 121.223 0.121 0.000 2.610 437 L HA -0.165 nan 4.340 nan 0.000 0.232 437 L C 0.790 177.657 176.870 -0.005 0.000 1.149 437 L CA 1.472 56.335 54.840 0.038 0.000 0.872 437 L CB -0.772 41.294 42.059 0.011 0.000 0.992 437 L HN 0.124 8.414 8.230 0.100 0.000 0.447 438 S N -1.367 114.321 115.700 -0.019 0.000 2.556 438 S HA 0.007 nan 4.470 nan 0.000 0.216 438 S C -0.050 174.390 174.600 -0.265 0.000 0.970 438 S CA 0.988 59.093 58.200 -0.158 0.000 0.912 438 S CB 0.690 63.753 63.200 -0.229 0.000 0.790 438 S HN -0.460 7.690 8.310 0.058 0.195 0.504 439 F N 0.000 119.867 119.950 -0.139 0.000 2.286 439 F HA 0.000 nan 4.527 nan 0.000 0.279 439 F CA 0.000 57.871 58.000 -0.215 0.000 1.383 439 F CB 0.000 38.775 39.000 -0.376 0.000 1.145 439 F HN 0.000 8.331 8.300 0.140 0.053 0.574