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 2htv_1_A DATA FIRST_RESID 82 DATA SEQUENCE VIHYSSGKDL cPVKGWAPLS KDNGIRIGSR GEVFVIREPF IScSINEcRT DATA SEQUENCE FFLTQGALLN DKHSNGTVKD RSPFRTLMSC PIGVAPSSNS RFESVAWSAT DATA SEQUENCE AcSDGPGWLT IGITGPDATA VAVLKYNGII TDTLKSWKGN IMRTQESEcV DATA SEQUENCE cQDEFcYTLI TDGPSDAQAF YKILKIKKGK IVSVKDVDAP GFHFEEcScY DATA SEQUENCE PSGENVEcVc RDNWRGSNRP WIRFNXSDLD YQIGYVcSGV FGDNPRPMDX DATA SEQUENCE STXGScNSPI NGKGRYGVKG FSFRYGDGVW IGRTKSLESR SGFEMVWDAN DATA SEQUENCE GWVSTDKDSN GXVQDIIDND NWSGYSGSFS TTGRNcTVPc FWVEMIRGQP DATA SEQUENCE KEXKTIWTSG SSIAFcGVNS DTTGWSWPDG ALLPFDI 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 82 V HA 0.000 nan 4.120 nan 0.000 0.244 82 V C 0.000 176.073 176.094 -0.036 0.000 1.182 82 V CA 0.000 62.279 62.300 -0.035 0.000 1.235 82 V CB 0.000 31.808 31.823 -0.026 0.000 1.184 83 I N -1.383 119.148 120.570 -0.065 0.000 3.191 83 I HA 0.751 4.921 4.170 -0.000 0.000 0.313 83 I C -0.135 175.911 176.117 -0.118 0.000 1.193 83 I CA -1.035 60.216 61.300 -0.082 0.000 0.968 83 I CB 1.129 39.042 38.000 -0.145 0.000 1.262 83 I HN 0.233 nan 8.210 nan 0.000 0.456 84 H N 0.389 119.407 119.070 -0.087 0.000 2.508 84 H HA 0.384 4.940 4.556 -0.000 0.000 0.358 84 H C -1.276 174.047 175.328 -0.009 0.000 1.212 84 H CA -0.611 55.369 56.048 -0.113 0.000 1.356 84 H CB 0.194 29.908 29.762 -0.081 0.000 1.525 84 H HN 0.675 nan 8.280 nan 0.000 0.578 85 Y N 1.489 121.830 120.300 0.067 0.000 2.496 85 Y HA 0.044 4.594 4.550 -0.000 0.000 0.334 85 Y C 1.027 176.972 175.900 0.075 0.000 1.080 85 Y CA -0.552 57.566 58.100 0.031 0.000 1.355 85 Y CB 0.659 39.153 38.460 0.057 0.000 1.193 85 Y HN 0.618 nan 8.280 nan 0.000 0.523 86 S N 1.722 117.527 115.700 0.174 0.000 2.687 86 S HA 0.556 5.026 4.470 -0.000 0.000 0.283 86 S C 0.052 174.716 174.600 0.107 0.000 1.170 86 S CA -0.968 57.313 58.200 0.136 0.000 1.008 86 S CB 1.642 64.867 63.200 0.040 0.000 1.026 86 S HN 0.649 nan 8.310 nan 0.000 0.541 87 S N 0.006 115.768 115.700 0.102 0.000 2.666 87 S HA 0.741 5.210 4.470 -0.000 0.000 0.279 87 S C 1.104 175.718 174.600 0.024 0.000 1.149 87 S CA -0.206 58.028 58.200 0.057 0.000 1.020 87 S CB -0.205 63.034 63.200 0.065 0.000 1.127 87 S HN 2.422 nan 8.310 nan 0.000 0.537 88 G N -0.452 108.348 108.800 -0.000 0.000 2.137 88 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.237 88 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.237 88 G C -0.310 174.578 174.900 -0.021 0.000 1.002 88 G CA 0.414 45.508 45.100 -0.010 0.000 0.702 88 G HN 0.760 nan 8.290 nan 0.000 0.515 89 K N 0.487 120.868 120.400 -0.031 0.000 2.259 89 K HA 0.614 4.934 4.320 -0.000 0.000 0.252 89 K C -0.545 176.021 176.600 -0.055 0.000 0.936 89 K CA -0.753 55.509 56.287 -0.041 0.000 0.810 89 K CB 1.175 33.648 32.500 -0.045 0.000 1.143 89 K HN 0.089 nan 8.250 nan 0.000 0.427 90 D N 1.739 122.103 120.400 -0.059 0.000 2.326 90 D HA 0.295 4.935 4.640 -0.000 0.000 0.251 90 D C 0.084 176.327 176.300 -0.096 0.000 1.023 90 D CA -0.475 53.477 54.000 -0.080 0.000 0.966 90 D CB 1.011 41.768 40.800 -0.072 0.000 1.156 90 D HN 0.322 nan 8.370 nan 0.000 0.494 91 L N 0.699 121.827 121.223 -0.157 0.000 2.483 91 L HA 0.090 4.430 4.340 -0.000 0.000 0.275 91 L C 0.521 177.356 176.870 -0.059 0.000 1.220 91 L CA -0.354 54.376 54.840 -0.183 0.000 0.833 91 L CB 0.309 42.117 42.059 -0.418 0.000 1.102 91 L HN 0.286 nan 8.230 nan 0.000 0.490 92 c N 2.184 120.753 118.600 -0.051 0.000 2.580 92 c HA 0.262 4.832 4.570 -0.000 0.000 0.371 92 c C -1.780 172.325 174.090 0.026 0.000 1.308 92 c CA -0.871 55.438 56.329 -0.034 0.000 2.428 92 c CB 0.027 42.475 42.510 -0.103 0.000 2.529 92 c HN 0.534 nan 8.230 nan 0.000 0.657 93 P HA 0.286 nan 4.420 nan 0.000 0.268 93 P C -1.088 176.039 177.300 -0.289 0.000 1.205 93 P CA 0.266 63.287 63.100 -0.131 0.000 0.771 93 P CB 0.378 32.009 31.700 -0.116 0.000 0.858 94 V N 4.372 124.005 119.914 -0.469 0.000 2.623 94 V HA 0.233 4.353 4.120 -0.000 0.000 0.304 94 V C 0.757 176.559 176.094 -0.487 0.000 1.054 94 V CA -0.346 61.596 62.300 -0.596 0.000 0.882 94 V CB 1.928 33.190 31.823 -0.935 0.000 1.002 94 V HN 0.496 nan 8.190 nan 0.000 0.424 95 K N 2.560 122.721 120.400 -0.397 0.000 2.172 95 K HA 0.461 4.781 4.320 -0.000 0.000 0.203 95 K C 0.814 177.328 176.600 -0.143 0.000 1.040 95 K CA 0.874 57.026 56.287 -0.225 0.000 0.974 95 K CB 0.590 32.993 32.500 -0.162 0.000 0.857 95 K HN 0.804 nan 8.250 nan 0.000 0.464 96 G N -0.384 108.212 108.800 -0.340 0.000 2.727 96 G HA2 0.438 4.398 3.960 -0.000 0.000 0.289 96 G HA3 0.438 4.398 3.960 -0.000 0.000 0.289 96 G C -2.003 172.530 174.900 -0.612 0.000 1.418 96 G CA -0.888 44.024 45.100 -0.313 0.000 0.818 96 G HN 0.077 nan 8.290 nan 0.000 0.486 97 W N 0.312 121.577 121.300 -0.058 0.000 2.429 97 W HA 0.664 5.324 4.660 -0.000 0.000 0.314 97 W C 0.278 176.911 176.519 0.190 0.000 1.062 97 W CA -0.521 56.843 57.345 0.033 0.000 1.211 97 W CB 2.002 31.520 29.460 0.098 0.000 1.305 97 W HN 0.680 nan 8.180 nan 0.000 0.476 98 A N 5.920 128.935 122.820 0.325 0.000 2.305 98 A HA 0.669 4.989 4.320 -0.000 0.000 0.322 98 A C -2.244 175.428 177.584 0.146 0.000 1.187 98 A CA -1.829 50.349 52.037 0.234 0.000 0.825 98 A CB 0.267 19.305 19.000 0.063 0.000 1.164 98 A HN 0.406 nan 8.150 nan 0.000 0.498 99 P HA 0.032 nan 4.420 nan 0.000 0.267 99 P C 0.157 177.156 177.300 -0.502 0.000 1.205 99 P CA 0.081 62.665 63.100 -0.859 0.000 0.765 99 P CB 1.173 32.388 31.700 -0.810 0.000 0.828 100 L N 3.384 124.269 121.223 -0.563 0.000 2.433 100 L HA 0.241 4.581 4.340 -0.000 0.000 0.200 100 L C 0.503 177.237 176.870 -0.227 0.000 1.059 100 L CA 1.406 56.089 54.840 -0.261 0.000 0.835 100 L CB -0.174 41.810 42.059 -0.125 0.000 1.076 100 L HN 0.601 nan 8.230 nan 0.000 0.481 101 S N -0.836 114.684 115.700 -0.299 0.000 2.565 101 S HA 0.597 5.067 4.470 -0.000 0.000 0.269 101 S C -0.983 173.482 174.600 -0.225 0.000 1.153 101 S CA -0.827 57.252 58.200 -0.202 0.000 0.835 101 S CB 1.882 65.013 63.200 -0.115 0.000 1.122 101 S HN 0.226 nan 8.310 nan 0.000 0.462 102 K N 0.295 120.616 120.400 -0.132 0.000 2.543 102 K HA 0.429 4.749 4.320 -0.000 0.000 0.255 102 K C -1.105 175.474 176.600 -0.035 0.000 0.934 102 K CA -0.436 55.808 56.287 -0.071 0.000 0.810 102 K CB 1.533 34.013 32.500 -0.034 0.000 1.315 102 K HN 0.773 nan 8.250 nan 0.000 0.433 103 D N 1.860 122.248 120.400 -0.020 0.000 2.423 103 D HA 0.018 4.658 4.640 -0.000 0.000 0.212 103 D C -0.221 176.075 176.300 -0.006 0.000 1.060 103 D CA 0.103 54.086 54.000 -0.029 0.000 0.872 103 D CB -0.167 40.596 40.800 -0.063 0.000 1.012 103 D HN 0.792 nan 8.370 nan 0.000 0.503 104 N N -0.185 118.529 118.700 0.025 0.000 2.693 104 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 104 N C 1.236 176.763 175.510 0.028 0.000 1.119 104 N CA 0.187 53.264 53.050 0.045 0.000 0.717 104 N CB -0.982 37.533 38.487 0.047 0.000 1.071 104 N HN 0.424 nan 8.380 nan 0.000 0.555 105 G N 0.531 109.331 108.800 -0.001 0.000 2.505 105 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 105 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 105 G C 1.275 176.179 174.900 0.007 0.000 1.145 105 G CA 1.277 46.358 45.100 -0.032 0.000 0.761 105 G HN 0.505 nan 8.290 nan 0.000 0.571 106 I N -0.273 120.333 120.570 0.060 0.000 2.353 106 I HA -0.063 4.107 4.170 -0.000 0.000 0.248 106 I C 3.010 179.278 176.117 0.253 0.000 1.119 106 I CA 0.655 62.034 61.300 0.131 0.000 1.417 106 I CB -0.219 37.868 38.000 0.145 0.000 1.078 106 I HN 0.084 nan 8.210 nan 0.000 0.421 107 R N 0.901 121.513 120.500 0.186 0.000 2.081 107 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 107 R C 2.315 178.655 176.300 0.067 0.000 1.131 107 R CA 1.431 57.632 56.100 0.168 0.000 0.960 107 R CB -0.263 30.104 30.300 0.111 0.000 0.856 107 R HN 0.312 nan 8.270 nan 0.000 0.436 108 I N -0.286 120.302 120.570 0.031 0.000 2.315 108 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 108 I C 2.323 178.408 176.117 -0.054 0.000 1.117 108 I CA 1.297 62.583 61.300 -0.023 0.000 1.404 108 I CB -0.514 37.467 38.000 -0.031 0.000 1.071 108 I HN 0.319 nan 8.210 nan 0.000 0.419 109 G N -0.339 108.450 108.800 -0.019 0.000 2.535 109 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 109 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 109 G C 1.681 176.512 174.900 -0.116 0.000 1.122 109 G CA 0.876 45.949 45.100 -0.045 0.000 0.769 109 G HN 0.369 nan 8.290 nan 0.000 0.549 110 S N -0.084 115.469 115.700 -0.245 0.000 2.400 110 S HA -0.106 4.364 4.470 -0.000 0.000 0.232 110 S C 2.182 176.543 174.600 -0.397 0.000 1.025 110 S CA 1.870 59.660 58.200 -0.682 0.000 0.993 110 S CB -0.048 62.758 63.200 -0.656 0.000 0.808 110 S HN 0.626 nan 8.310 nan 0.000 0.478 111 R N -0.953 119.407 120.500 -0.232 0.000 2.561 111 R HA 0.278 4.618 4.340 -0.000 0.000 0.213 111 R C 1.045 177.268 176.300 -0.130 0.000 0.885 111 R CA 0.573 56.573 56.100 -0.166 0.000 1.002 111 R CB -0.236 29.983 30.300 -0.136 0.000 1.432 111 R HN 0.308 nan 8.270 nan 0.000 0.651 112 G N 0.641 109.369 108.800 -0.120 0.000 2.580 112 G HA2 0.172 4.132 3.960 -0.000 0.000 0.278 112 G HA3 0.172 4.132 3.960 -0.000 0.000 0.278 112 G C -0.981 173.841 174.900 -0.131 0.000 1.212 112 G CA -0.551 44.483 45.100 -0.111 0.000 0.939 112 G HN 0.273 nan 8.290 nan 0.000 0.513 113 E N -0.441 119.673 120.200 -0.143 0.000 2.003 113 E HA 0.344 4.694 4.350 -0.000 0.000 0.279 113 E C -0.726 175.736 176.600 -0.231 0.000 1.132 113 E CA -0.075 56.209 56.400 -0.193 0.000 0.888 113 E CB 1.143 30.721 29.700 -0.204 0.000 1.056 113 E HN 0.099 nan 8.360 nan 0.000 0.399 114 V N 4.354 124.129 119.914 -0.230 0.000 2.686 114 V HA 0.291 4.411 4.120 -0.000 0.000 0.306 114 V C -0.277 175.703 176.094 -0.190 0.000 1.065 114 V CA -0.945 61.228 62.300 -0.212 0.000 0.894 114 V CB 1.133 32.873 31.823 -0.138 0.000 1.004 114 V HN 0.535 nan 8.190 nan 0.000 0.424 115 F N 2.128 122.006 119.950 -0.119 0.000 2.506 115 F HA 0.223 4.750 4.527 -0.000 0.000 0.351 115 F C 0.750 176.483 175.800 -0.113 0.000 1.136 115 F CA -0.066 57.889 58.000 -0.076 0.000 1.298 115 F CB 0.860 39.865 39.000 0.008 0.000 1.145 115 F HN 0.210 nan 8.300 nan 0.000 0.593 116 V N 5.307 125.327 119.914 0.177 0.000 2.439 116 V HA 0.055 4.175 4.120 -0.000 0.000 0.271 116 V C 0.232 176.387 176.094 0.102 0.000 1.040 116 V CA -0.043 62.303 62.300 0.076 0.000 1.002 116 V CB 0.266 32.142 31.823 0.089 0.000 1.000 116 V HN 0.411 nan 8.190 nan 0.000 0.477 117 I N 6.123 126.711 120.570 0.030 0.000 2.947 117 I HA 0.769 4.939 4.170 -0.000 0.000 0.314 117 I C 0.172 176.319 176.117 0.050 0.000 1.028 117 I CA -0.386 60.923 61.300 0.014 0.000 1.077 117 I CB 1.566 39.450 38.000 -0.195 0.000 1.274 117 I HN 0.449 nan 8.210 nan 0.000 0.485 118 R N 1.954 122.493 120.500 0.066 0.000 2.644 118 R HA 0.301 4.641 4.340 -0.000 0.000 0.257 118 R C -1.184 175.151 176.300 0.059 0.000 1.082 118 R CA -1.062 55.057 56.100 0.032 0.000 0.927 118 R CB 1.149 31.455 30.300 0.010 0.000 1.258 118 R HN 0.661 nan 8.270 nan 0.000 0.459 119 E N 0.647 120.880 120.200 0.054 0.000 2.358 119 E HA -0.138 4.212 4.350 -0.000 0.000 0.246 119 E C -2.135 174.388 176.600 -0.128 0.000 1.127 119 E CA 0.341 56.821 56.400 0.134 0.000 0.726 119 E CB -0.658 29.207 29.700 0.275 0.000 1.272 119 E HN 0.308 nan 8.360 nan 0.000 0.390 120 P HA -0.015 nan 4.420 nan 0.000 0.249 120 P C -0.519 176.173 177.300 -1.014 0.000 1.737 120 P CA 0.160 63.009 63.100 -0.418 0.000 1.128 120 P CB -0.977 30.580 31.700 -0.238 0.000 1.942 121 F N 2.180 121.492 119.950 -1.063 0.000 2.404 121 F HA 0.585 5.112 4.527 -0.000 0.000 0.339 121 F C -0.160 175.259 175.800 -0.635 0.000 1.105 121 F CA -1.961 55.133 58.000 -1.511 0.000 1.087 121 F CB 0.531 39.133 39.000 -0.663 0.000 1.143 121 F HN -0.034 nan 8.300 nan 0.000 0.491 122 I N 2.624 122.935 120.570 -0.431 0.000 2.499 122 I HA 0.422 4.592 4.170 -0.000 0.000 0.296 122 I C 0.050 176.207 176.117 0.066 0.000 0.992 122 I CA -0.576 60.514 61.300 -0.349 0.000 1.297 122 I CB 1.684 39.064 38.000 -1.034 0.000 1.410 122 I HN 0.775 nan 8.210 nan 0.000 0.507 123 S N 4.093 119.977 115.700 0.306 0.000 2.566 123 S HA 0.551 5.021 4.470 -0.000 0.000 0.273 123 S C -1.114 173.921 174.600 0.725 0.000 1.157 123 S CA -0.521 58.025 58.200 0.576 0.000 0.938 123 S CB 0.939 64.529 63.200 0.650 0.000 1.087 123 S HN 0.680 nan 8.310 nan 0.000 0.474 124 c N 3.128 122.093 118.600 0.607 0.000 2.529 124 c HA 0.946 5.516 4.570 -0.000 0.000 0.329 124 c C 0.626 174.853 174.090 0.227 0.000 1.194 124 c CA -0.754 55.875 56.329 0.499 0.000 1.779 124 c CB 1.066 43.815 42.510 0.399 0.000 2.322 124 c HN 0.944 nan 8.230 nan 0.000 0.500 125 S N 0.732 116.434 115.700 0.004 0.000 2.739 125 S HA 0.608 5.078 4.470 -0.000 0.000 0.306 125 S C 0.864 175.478 174.600 0.023 0.000 1.115 125 S CA -0.709 57.330 58.200 -0.269 0.000 0.985 125 S CB 0.412 63.202 63.200 -0.683 0.000 1.133 125 S HN 0.614 nan 8.310 nan 0.000 0.541 126 I N 1.031 121.544 120.570 -0.096 0.000 2.248 126 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 126 I C 1.575 177.725 176.117 0.055 0.000 1.107 126 I CA 1.335 62.661 61.300 0.043 0.000 1.373 126 I CB -0.585 37.382 38.000 -0.055 0.000 1.055 126 I HN 0.619 nan 8.210 nan 0.000 0.418 127 N N -0.180 118.534 118.700 0.023 0.000 2.322 127 N HA 0.080 4.820 4.740 -0.000 0.000 0.181 127 N C 0.379 175.947 175.510 0.097 0.000 1.088 127 N CA 0.306 53.388 53.050 0.053 0.000 0.885 127 N CB 0.786 39.294 38.487 0.034 0.000 1.013 127 N HN 0.475 nan 8.380 nan 0.000 0.472 128 E N -0.410 119.878 120.200 0.147 0.000 2.413 128 E HA 0.384 4.734 4.350 -0.000 0.000 0.277 128 E C -1.528 175.258 176.600 0.310 0.000 0.958 128 E CA -0.591 55.937 56.400 0.213 0.000 0.779 128 E CB 2.089 31.940 29.700 0.252 0.000 1.278 128 E HN -0.128 nan 8.360 nan 0.000 0.456 129 c N 2.174 120.927 118.600 0.255 0.000 2.408 129 c HA 0.673 5.243 4.570 -0.000 0.000 0.321 129 c C -0.488 173.691 174.090 0.148 0.000 1.245 129 c CA -0.484 56.008 56.329 0.271 0.000 1.523 129 c CB 0.620 43.253 42.510 0.204 0.000 2.178 129 c HN 0.636 nan 8.230 nan 0.000 0.488 130 R N 1.188 121.752 120.500 0.106 0.000 2.771 130 R HA 0.630 4.970 4.340 -0.000 0.000 0.274 130 R C -1.091 175.060 176.300 -0.248 0.000 0.987 130 R CA -0.540 55.447 56.100 -0.187 0.000 0.908 130 R CB 2.024 32.011 30.300 -0.521 0.000 1.213 130 R HN 0.592 nan 8.270 nan 0.000 0.468 131 T N 2.366 116.705 114.554 -0.359 0.000 2.749 131 T HA 0.442 4.792 4.350 -0.000 0.000 0.287 131 T C -0.805 173.582 174.700 -0.522 0.000 0.970 131 T CA -0.179 61.711 62.100 -0.349 0.000 0.980 131 T CB 0.206 68.925 68.868 -0.248 0.000 0.924 131 T HN 0.160 nan 8.240 nan 0.000 0.456 132 F N 4.101 123.603 119.950 -0.746 0.000 2.425 132 F HA 0.741 5.268 4.527 -0.000 0.000 0.331 132 F C 0.055 175.362 175.800 -0.822 0.000 1.085 132 F CA -1.054 56.369 58.000 -0.960 0.000 1.028 132 F CB 1.051 39.196 39.000 -1.426 0.000 1.177 132 F HN 0.584 nan 8.300 nan 0.000 0.487 133 F N -0.223 119.450 119.950 -0.462 0.000 2.745 133 F HA 0.775 5.302 4.527 -0.000 0.000 0.316 133 F C -2.303 173.374 175.800 -0.205 0.000 1.155 133 F CA -1.576 56.230 58.000 -0.324 0.000 0.937 133 F CB 1.189 40.022 39.000 -0.278 0.000 1.361 133 F HN 0.182 nan 8.300 nan 0.000 0.472 134 L N 1.493 122.775 121.223 0.097 0.000 2.341 134 L HA 0.743 5.083 4.340 -0.000 0.000 0.278 134 L C -0.845 176.109 176.870 0.139 0.000 1.005 134 L CA -0.526 54.334 54.840 0.032 0.000 0.818 134 L CB 2.347 44.457 42.059 0.085 0.000 1.259 134 L HN 0.859 nan 8.230 nan 0.000 0.418 135 T N 0.697 115.271 114.554 0.033 0.000 2.907 135 T HA 0.253 4.603 4.350 -0.000 0.000 0.292 135 T C 0.278 175.028 174.700 0.084 0.000 1.043 135 T CA -0.647 61.485 62.100 0.054 0.000 1.003 135 T CB 2.378 71.150 68.868 -0.159 0.000 1.084 135 T HN 0.388 nan 8.240 nan 0.000 0.483 136 Q N 0.659 120.549 119.800 0.150 0.000 2.403 136 Q HA 0.207 4.547 4.340 -0.000 0.000 0.203 136 Q C 1.339 177.465 176.000 0.210 0.000 0.932 136 Q CA 0.530 56.462 55.803 0.214 0.000 0.945 136 Q CB 0.227 29.098 28.738 0.221 0.000 1.045 136 Q HN 1.209 nan 8.270 nan 0.000 0.511 137 G N 0.734 109.634 108.800 0.168 0.000 2.182 137 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.248 137 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.248 137 G C -0.018 175.016 174.900 0.223 0.000 1.042 137 G CA 0.318 45.542 45.100 0.207 0.000 0.775 137 G HN 0.538 nan 8.290 nan 0.000 0.501 138 A N -0.534 122.447 122.820 0.269 0.000 2.435 138 A HA 0.891 5.211 4.320 -0.000 0.000 0.304 138 A C -0.079 177.599 177.584 0.156 0.000 1.064 138 A CA -0.744 51.394 52.037 0.167 0.000 0.727 138 A CB 1.408 20.499 19.000 0.152 0.000 1.284 138 A HN 0.756 nan 8.150 nan 0.000 0.415 139 L N 1.695 122.932 121.223 0.023 0.000 2.360 139 L HA 0.450 4.790 4.340 -0.000 0.000 0.271 139 L C -0.162 176.647 176.870 -0.102 0.000 1.057 139 L CA -0.748 54.045 54.840 -0.078 0.000 0.803 139 L CB 1.184 43.145 42.059 -0.164 0.000 1.207 139 L HN 0.613 nan 8.230 nan 0.000 0.445 140 L N 2.688 123.811 121.223 -0.166 0.000 2.485 140 L HA 0.031 4.371 4.340 -0.000 0.000 0.275 140 L C 0.814 177.569 176.870 -0.191 0.000 1.207 140 L CA 0.223 54.898 54.840 -0.275 0.000 0.855 140 L CB -0.013 41.885 42.059 -0.269 0.000 1.114 140 L HN 0.761 nan 8.230 nan 0.000 0.485 141 N N 0.920 119.493 118.700 -0.211 0.000 2.829 141 N HA -0.191 4.549 4.740 -0.000 0.000 0.250 141 N C -0.675 174.808 175.510 -0.045 0.000 1.090 141 N CA 1.097 54.102 53.050 -0.074 0.000 0.781 141 N CB -0.791 37.655 38.487 -0.068 0.000 1.124 141 N HN 0.811 nan 8.380 nan 0.000 0.559 142 D N -0.176 120.197 120.400 -0.044 0.000 2.481 142 D HA 0.297 4.937 4.640 -0.000 0.000 0.244 142 D C 1.332 177.648 176.300 0.027 0.000 1.057 142 D CA -0.505 53.499 54.000 0.006 0.000 0.848 142 D CB 1.031 41.846 40.800 0.025 0.000 1.388 142 D HN 0.127 nan 8.370 nan 0.000 0.475 143 K N 2.213 122.618 120.400 0.008 0.000 2.127 143 K HA -0.259 4.061 4.320 -0.000 0.000 0.208 143 K C 0.855 177.398 176.600 -0.096 0.000 1.047 143 K CA 1.290 57.543 56.287 -0.056 0.000 0.927 143 K CB -0.343 32.078 32.500 -0.132 0.000 0.716 143 K HN 0.543 nan 8.250 nan 0.000 0.450 144 H N 1.032 120.098 119.070 -0.007 0.000 2.567 144 H HA 0.002 4.558 4.556 -0.000 0.000 0.276 144 H C 1.430 176.770 175.328 0.020 0.000 1.016 144 H CA 1.298 57.339 56.048 -0.012 0.000 1.186 144 H CB 0.167 29.906 29.762 -0.037 0.000 1.351 144 H HN 0.540 nan 8.280 nan 0.000 0.605 145 S N -0.870 114.896 115.700 0.109 0.000 2.577 145 S HA -0.051 4.419 4.470 -0.000 0.000 0.219 145 S C 1.431 176.124 174.600 0.155 0.000 0.962 145 S CA -0.215 58.055 58.200 0.117 0.000 0.921 145 S CB -0.266 62.955 63.200 0.035 0.000 0.789 145 S HN 0.403 nan 8.310 nan 0.000 0.497 146 N N 1.917 120.680 118.700 0.105 0.000 2.322 146 N HA -0.154 4.586 4.740 -0.000 0.000 0.189 146 N C 1.418 176.990 175.510 0.104 0.000 1.012 146 N CA 0.807 53.914 53.050 0.095 0.000 0.880 146 N CB -0.690 37.819 38.487 0.036 0.000 0.967 146 N HN 0.691 nan 8.380 nan 0.000 0.439 147 G N -0.676 108.195 108.800 0.118 0.000 2.244 147 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.274 147 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.274 147 G C 0.746 175.687 174.900 0.068 0.000 1.002 147 G CA 1.131 46.294 45.100 0.104 0.000 0.740 147 G HN 0.426 nan 8.290 nan 0.000 0.516 148 T N -0.257 114.334 114.554 0.062 0.000 2.951 148 T HA 0.136 4.486 4.350 -0.000 0.000 0.268 148 T C 1.654 176.387 174.700 0.055 0.000 1.073 148 T CA 0.833 62.959 62.100 0.044 0.000 1.134 148 T CB 0.116 69.007 68.868 0.037 0.000 0.884 148 T HN 0.393 nan 8.240 nan 0.000 0.479 149 V N 2.264 122.230 119.914 0.088 0.000 2.999 149 V HA 0.041 4.161 4.120 -0.000 0.000 0.307 149 V C 0.589 176.725 176.094 0.071 0.000 1.084 149 V CA -0.373 61.995 62.300 0.113 0.000 1.155 149 V CB 0.283 32.227 31.823 0.201 0.000 0.975 149 V HN 0.332 nan 8.190 nan 0.000 0.490 150 K N 2.196 122.621 120.400 0.041 0.000 2.295 150 K HA 0.096 4.416 4.320 -0.000 0.000 0.270 150 K C 0.738 177.331 176.600 -0.012 0.000 1.011 150 K CA -0.443 55.834 56.287 -0.017 0.000 0.953 150 K CB 0.397 32.851 32.500 -0.076 0.000 0.956 150 K HN 0.565 nan 8.250 nan 0.000 0.477 151 D N 1.822 122.202 120.400 -0.033 0.000 2.149 151 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 151 D C 0.105 176.387 176.300 -0.031 0.000 0.990 151 D CA 1.377 55.374 54.000 -0.004 0.000 0.839 151 D CB 0.276 41.072 40.800 -0.007 0.000 0.948 151 D HN 0.343 nan 8.370 nan 0.000 0.460 152 R N 0.888 121.257 120.500 -0.219 0.000 2.391 152 R HA 0.236 4.576 4.340 -0.000 0.000 0.310 152 R C -0.046 176.077 176.300 -0.295 0.000 1.174 152 R CA -0.190 55.601 56.100 -0.515 0.000 1.118 152 R CB 0.866 30.397 30.300 -1.281 0.000 1.134 152 R HN 0.022 nan 8.270 nan 0.000 0.524 153 S N 0.934 116.602 115.700 -0.055 0.000 2.677 153 S HA 0.495 4.965 4.470 -0.000 0.000 0.304 153 S C -1.894 172.609 174.600 -0.161 0.000 1.108 153 S CA -1.374 56.727 58.200 -0.165 0.000 0.944 153 S CB 2.217 65.321 63.200 -0.161 0.000 1.127 153 S HN 0.239 nan 8.310 nan 0.000 0.511 154 P HA 0.105 nan 4.420 nan 0.000 0.237 154 P C 0.690 177.846 177.300 -0.240 0.000 1.178 154 P CA 0.595 63.496 63.100 -0.331 0.000 0.766 154 P CB -0.253 31.215 31.700 -0.386 0.000 0.876 155 F N -0.211 119.810 119.950 0.118 0.000 2.569 155 F HA 0.197 4.724 4.527 -0.000 0.000 0.295 155 F C 1.623 177.483 175.800 0.099 0.000 1.115 155 F CA -0.646 57.411 58.000 0.095 0.000 1.450 155 F CB -0.402 38.651 39.000 0.089 0.000 1.107 155 F HN -0.270 nan 8.300 nan 0.000 0.563 156 R N 2.007 122.642 120.500 0.224 0.000 2.484 156 R HA 0.148 4.488 4.340 -0.000 0.000 0.293 156 R C -0.202 176.166 176.300 0.113 0.000 1.023 156 R CA 0.430 56.638 56.100 0.180 0.000 1.037 156 R CB 0.311 30.742 30.300 0.218 0.000 0.951 156 R HN 0.161 nan 8.270 nan 0.000 0.418 157 T N 1.520 116.103 114.554 0.049 0.000 2.906 157 T HA 0.411 4.761 4.350 -0.000 0.000 0.295 157 T C -0.881 173.697 174.700 -0.204 0.000 1.075 157 T CA -1.068 61.021 62.100 -0.018 0.000 1.005 157 T CB 1.450 70.401 68.868 0.139 0.000 1.136 157 T HN 0.350 nan 8.240 nan 0.000 0.498 158 L N 2.469 123.490 121.223 -0.336 0.000 2.292 158 L HA 0.736 5.076 4.340 -0.000 0.000 0.284 158 L C -0.689 175.784 176.870 -0.662 0.000 1.065 158 L CA -0.331 54.255 54.840 -0.424 0.000 0.806 158 L CB 0.377 42.257 42.059 -0.298 0.000 1.175 158 L HN 0.820 nan 8.230 nan 0.000 0.431 159 M N 3.322 122.390 119.600 -0.887 0.000 2.704 159 M HA 0.673 5.153 4.480 -0.000 0.000 0.284 159 M C -0.576 175.018 176.300 -1.176 0.000 1.275 159 M CA -0.712 53.982 55.300 -1.010 0.000 0.811 159 M CB 2.389 34.348 32.600 -1.069 0.000 1.741 159 M HN 0.701 nan 8.290 nan 0.000 0.458 160 S N 0.105 115.249 115.700 -0.927 0.000 2.596 160 S HA 0.920 5.390 4.470 -0.000 0.000 0.270 160 S C -0.964 173.341 174.600 -0.492 0.000 1.155 160 S CA -0.732 56.890 58.200 -0.964 0.000 0.827 160 S CB 1.921 64.071 63.200 -1.751 0.000 1.130 160 S HN 1.206 nan 8.310 nan 0.000 0.467 161 C N -1.926 117.128 119.300 -0.409 0.000 3.306 161 C HA 0.815 5.275 4.460 -0.000 0.000 0.335 161 C C -3.295 171.561 174.990 -0.222 0.000 1.382 161 C CA -1.672 57.217 59.018 -0.217 0.000 1.254 161 C CB 0.323 28.040 27.740 -0.038 0.000 1.555 161 C HN 0.699 nan 8.230 nan 0.000 0.463 162 P HA 0.296 nan 4.420 nan 0.000 0.269 162 P C 0.135 177.373 177.300 -0.104 0.000 1.209 162 P CA 0.027 63.063 63.100 -0.106 0.000 0.776 162 P CB 0.281 31.942 31.700 -0.065 0.000 0.876 163 I N -1.293 119.224 120.570 -0.087 0.000 2.754 163 I HA 0.357 4.527 4.170 -0.000 0.000 0.285 163 I C 1.355 177.428 176.117 -0.074 0.000 1.166 163 I CA 0.219 61.464 61.300 -0.092 0.000 1.417 163 I CB -0.456 37.502 38.000 -0.071 0.000 1.382 163 I HN 0.690 nan 8.210 nan 0.000 0.588 164 G N 3.840 112.591 108.800 -0.082 0.000 2.284 164 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.247 164 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.247 164 G C 0.273 175.136 174.900 -0.061 0.000 1.012 164 G CA 0.192 45.252 45.100 -0.066 0.000 0.618 164 G HN 1.385 nan 8.290 nan 0.000 0.521 165 V N -0.577 119.296 119.914 -0.069 0.000 2.743 165 V HA 0.881 5.001 4.120 -0.000 0.000 0.301 165 V C 0.851 176.893 176.094 -0.086 0.000 1.057 165 V CA -0.422 61.839 62.300 -0.065 0.000 1.006 165 V CB 1.315 33.104 31.823 -0.058 0.000 1.024 165 V HN 1.869 nan 8.190 nan 0.000 0.473 166 A N 4.657 127.428 122.820 -0.081 0.000 2.520 166 A HA 0.450 4.770 4.320 -0.000 0.000 0.245 166 A C -1.480 176.027 177.584 -0.128 0.000 1.072 166 A CA -1.047 50.927 52.037 -0.105 0.000 0.761 166 A CB -0.423 18.525 19.000 -0.086 0.000 1.004 166 A HN 0.888 nan 8.150 nan 0.000 0.499 167 P HA 0.011 nan 4.420 nan 0.000 0.231 167 P C 0.542 177.830 177.300 -0.021 0.000 1.756 167 P CA 0.413 63.352 63.100 -0.268 0.000 0.990 167 P CB -0.370 30.783 31.700 -0.912 0.000 1.973 168 S N 0.445 116.127 115.700 -0.030 0.000 2.380 168 S HA 0.020 4.490 4.470 -0.000 0.000 0.168 168 S C 1.551 176.115 174.600 -0.060 0.000 1.296 168 S CA 0.704 58.832 58.200 -0.121 0.000 2.072 168 S CB -1.125 61.998 63.200 -0.129 0.000 0.456 168 S HN 0.190 nan 8.310 nan 0.000 0.388 169 S N 2.538 118.209 115.700 -0.048 0.000 2.394 169 S HA -0.293 4.177 4.470 -0.000 0.000 0.273 169 S C 0.921 175.518 174.600 -0.004 0.000 1.383 169 S CA 2.062 60.246 58.200 -0.028 0.000 1.557 169 S CB -1.763 61.406 63.200 -0.051 0.000 2.068 169 S HN 0.894 nan 8.310 nan 0.000 0.740 170 N N -1.076 117.630 118.700 0.009 0.000 2.291 170 N HA 0.257 4.997 4.740 -0.000 0.000 0.244 170 N C -0.946 174.579 175.510 0.024 0.000 1.216 170 N CA -0.268 52.784 53.050 0.003 0.000 0.879 170 N CB 0.836 39.311 38.487 -0.020 0.000 1.167 170 N HN 0.122 nan 8.380 nan 0.000 0.515 171 S N 1.082 116.836 115.700 0.091 0.000 2.472 171 S HA 0.327 4.797 4.470 -0.000 0.000 0.303 171 S C -0.431 174.185 174.600 0.026 0.000 1.099 171 S CA -0.785 57.480 58.200 0.108 0.000 1.077 171 S CB 2.445 65.858 63.200 0.355 0.000 1.031 171 S HN 0.295 nan 8.310 nan 0.000 0.487 172 R N 1.773 122.210 120.500 -0.104 0.000 2.536 172 R HA 0.427 4.767 4.340 -0.000 0.000 0.279 172 R C -1.132 175.089 176.300 -0.132 0.000 1.001 172 R CA -0.535 55.499 56.100 -0.111 0.000 1.027 172 R CB 0.644 30.824 30.300 -0.200 0.000 1.096 172 R HN 0.564 nan 8.270 nan 0.000 0.502 173 F N 2.673 122.522 119.950 -0.168 0.000 2.396 173 F HA 0.210 4.737 4.527 -0.000 0.000 0.343 173 F C 0.546 176.240 175.800 -0.176 0.000 1.104 173 F CA -0.071 57.822 58.000 -0.179 0.000 1.161 173 F CB 1.230 40.162 39.000 -0.113 0.000 1.146 173 F HN 0.638 nan 8.300 nan 0.000 0.522 174 E N 2.279 121.744 120.200 -1.224 0.000 2.279 174 E HA 0.181 4.531 4.350 -0.000 0.000 0.199 174 E C -0.394 175.610 176.600 -0.993 0.000 0.893 174 E CA 0.826 56.735 56.400 -0.818 0.000 0.978 174 E CB 0.245 29.666 29.700 -0.466 0.000 0.964 174 E HN 0.567 nan 8.360 nan 0.000 0.486 175 S N -0.953 113.936 115.700 -1.351 0.000 2.622 175 S HA 0.259 4.729 4.470 -0.000 0.000 0.275 175 S C -0.672 173.765 174.600 -0.272 0.000 1.112 175 S CA -0.939 56.891 58.200 -0.616 0.000 0.837 175 S CB 1.242 64.289 63.200 -0.254 0.000 1.082 175 S HN -0.099 nan 8.310 nan 0.000 0.456 176 V N 1.366 121.350 119.914 0.117 0.000 2.446 176 V HA 0.657 4.777 4.120 -0.000 0.000 0.276 176 V C 0.557 176.605 176.094 -0.077 0.000 1.030 176 V CA 1.067 63.426 62.300 0.100 0.000 1.033 176 V CB -0.191 31.701 31.823 0.115 0.000 0.993 176 V HN 1.481 nan 8.190 nan 0.000 0.477 177 A N 5.712 128.471 122.820 -0.100 0.000 2.590 177 A HA 0.583 4.903 4.320 -0.000 0.000 0.296 177 A C -0.424 177.113 177.584 -0.077 0.000 1.050 177 A CA -0.726 51.175 52.037 -0.225 0.000 0.697 177 A CB 1.026 19.893 19.000 -0.220 0.000 1.277 177 A HN 0.943 nan 8.150 nan 0.000 0.411 178 W N 1.202 122.514 121.300 0.018 0.000 2.966 178 W HA 0.570 5.230 4.660 -0.000 0.000 0.406 178 W C 0.043 176.595 176.519 0.055 0.000 1.027 178 W CA 0.221 57.584 57.345 0.030 0.000 1.930 178 W CB 0.190 29.661 29.460 0.018 0.000 1.144 178 W HN 1.103 nan 8.180 nan 0.000 0.626 179 S N 0.762 116.564 115.700 0.170 0.000 2.583 179 S HA 0.607 5.077 4.470 -0.000 0.000 0.294 179 S C -1.096 173.528 174.600 0.040 0.000 1.121 179 S CA 0.248 58.561 58.200 0.188 0.000 0.910 179 S CB 0.726 64.105 63.200 0.298 0.000 1.102 179 S HN 0.512 nan 8.310 nan 0.000 0.451 180 A N 2.252 125.136 122.820 0.107 0.000 2.493 180 A HA 0.964 5.284 4.320 -0.000 0.000 0.300 180 A C -0.423 177.211 177.584 0.083 0.000 1.152 180 A CA -0.158 51.920 52.037 0.068 0.000 0.643 180 A CB 1.079 20.107 19.000 0.046 0.000 1.316 180 A HN 1.482 nan 8.150 nan 0.000 0.469 181 T N -1.621 112.960 114.554 0.045 0.000 2.840 181 T HA 0.804 5.154 4.350 -0.000 0.000 0.317 181 T C -1.327 173.362 174.700 -0.019 0.000 1.401 181 T CA 0.524 62.595 62.100 -0.048 0.000 1.028 181 T CB 1.364 70.197 68.868 -0.058 0.000 1.317 181 T HN 2.503 nan 8.240 nan 0.000 0.495 182 A N 1.019 123.800 122.820 -0.066 0.000 2.610 182 A HA 0.948 5.268 4.320 -0.000 0.000 0.291 182 A C -0.766 176.823 177.584 0.008 0.000 1.086 182 A CA -0.247 51.694 52.037 -0.161 0.000 0.677 182 A CB 0.608 19.104 19.000 -0.841 0.000 1.278 182 A HN 2.259 nan 8.150 nan 0.000 0.414 183 c N -1.117 117.580 118.600 0.161 0.000 3.045 183 c HA 0.802 5.372 4.570 -0.000 0.000 0.338 183 c C -0.453 173.812 174.090 0.290 0.000 1.267 183 c CA -0.272 56.237 56.329 0.301 0.000 1.177 183 c CB 0.750 43.401 42.510 0.235 0.000 1.380 183 c HN 1.878 nan 8.230 nan 0.000 0.469 184 S N 0.210 115.994 115.700 0.140 0.000 2.501 184 S HA 0.629 5.099 4.470 -0.000 0.000 0.301 184 S C 0.569 175.176 174.600 0.013 0.000 1.096 184 S CA 0.289 58.384 58.200 -0.175 0.000 1.063 184 S CB 1.114 63.905 63.200 -0.681 0.000 1.042 184 S HN 1.014 nan 8.310 nan 0.000 0.494 185 D N 2.467 122.831 120.400 -0.060 0.000 2.339 185 D HA 0.278 4.918 4.640 -0.000 0.000 0.217 185 D C 1.167 177.280 176.300 -0.312 0.000 1.050 185 D CA 0.757 54.763 54.000 0.010 0.000 0.856 185 D CB 0.103 40.944 40.800 0.069 0.000 0.922 185 D HN 0.811 nan 8.370 nan 0.000 0.518 186 G N 1.492 109.840 108.800 -0.752 0.000 2.483 186 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.196 186 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.196 186 G C -1.691 172.853 174.900 -0.594 0.000 2.335 186 G CA 0.121 44.559 45.100 -1.102 0.000 1.576 186 G HN 0.282 nan 8.290 nan 0.000 0.499 187 P HA 0.309 nan 4.420 nan 0.000 0.245 187 P C 0.905 178.083 177.300 -0.203 0.000 1.203 187 P CA 1.848 64.828 63.100 -0.200 0.000 0.792 187 P CB 1.047 32.700 31.700 -0.078 0.000 0.997 188 G N -0.903 107.752 108.800 -0.241 0.000 2.866 188 G HA2 0.504 4.464 3.960 -0.000 0.000 0.289 188 G HA3 0.504 4.464 3.960 -0.000 0.000 0.289 188 G C -2.110 172.452 174.900 -0.563 0.000 1.396 188 G CA -0.671 44.207 45.100 -0.369 0.000 0.848 188 G HN -0.043 nan 8.290 nan 0.000 0.515 189 W N -0.354 120.674 121.300 -0.453 0.000 2.587 189 W HA 0.612 5.272 4.660 -0.000 0.000 0.324 189 W C -0.524 175.811 176.519 -0.306 0.000 1.040 189 W CA -0.720 56.478 57.345 -0.245 0.000 1.222 189 W CB 2.201 31.607 29.460 -0.089 0.000 1.381 189 W HN 0.402 nan 8.180 nan 0.000 0.483 190 L N 4.261 125.595 121.223 0.186 0.000 2.313 190 L HA 0.782 5.122 4.340 -0.000 0.000 0.283 190 L C -0.071 176.862 176.870 0.105 0.000 1.013 190 L CA -0.129 54.810 54.840 0.165 0.000 0.816 190 L CB 1.178 43.366 42.059 0.215 0.000 1.236 190 L HN 0.407 nan 8.230 nan 0.000 0.419 191 T N 3.091 117.677 114.554 0.053 0.000 2.876 191 T HA 0.748 5.098 4.350 -0.000 0.000 0.289 191 T C -0.418 174.277 174.700 -0.008 0.000 1.014 191 T CA -0.542 61.547 62.100 -0.019 0.000 0.986 191 T CB 1.231 70.067 68.868 -0.053 0.000 1.021 191 T HN 0.505 nan 8.240 nan 0.000 0.458 192 I N 2.047 122.603 120.570 -0.023 0.000 2.468 192 I HA 0.548 4.718 4.170 -0.000 0.000 0.284 192 I C 0.399 176.484 176.117 -0.053 0.000 1.038 192 I CA -0.933 60.355 61.300 -0.020 0.000 1.083 192 I CB 1.831 39.835 38.000 0.006 0.000 1.223 192 I HN 0.969 nan 8.210 nan 0.000 0.443 193 G N 7.095 115.843 108.800 -0.086 0.000 2.416 193 G HA2 0.746 4.706 3.960 -0.000 0.000 0.324 193 G HA3 0.746 4.706 3.960 -0.000 0.000 0.324 193 G C -0.737 174.039 174.900 -0.207 0.000 1.194 193 G CA -0.443 44.573 45.100 -0.141 0.000 0.922 193 G HN 0.493 nan 8.290 nan 0.000 0.467 194 I N 1.979 122.352 120.570 -0.328 0.000 2.330 194 I HA 0.416 4.586 4.170 -0.000 0.000 0.289 194 I C 0.439 175.926 176.117 -1.050 0.000 1.001 194 I CA -0.286 60.697 61.300 -0.529 0.000 1.193 194 I CB 1.952 39.660 38.000 -0.487 0.000 1.345 194 I HN 0.448 nan 8.210 nan 0.000 0.461 195 T N 3.644 117.721 114.554 -0.795 0.000 2.804 195 T HA 0.883 5.233 4.350 -0.000 0.000 0.290 195 T C -0.300 174.258 174.700 -0.237 0.000 1.099 195 T CA 0.290 61.894 62.100 -0.828 0.000 1.011 195 T CB 1.797 70.436 68.868 -0.382 0.000 1.291 195 T HN 1.043 nan 8.240 nan 0.000 0.523 196 G N 1.592 110.485 108.800 0.155 0.000 2.498 196 G HA2 0.073 4.033 3.960 -0.000 0.000 0.651 196 G HA3 0.073 4.033 3.960 -0.000 0.000 0.651 196 G C -3.066 172.066 174.900 0.387 0.000 1.284 196 G CA -0.454 44.784 45.100 0.229 0.000 0.950 196 G HN 0.745 nan 8.290 nan 0.000 0.511 197 P HA 0.275 nan 4.420 nan 0.000 0.272 197 P C 0.078 177.462 177.300 0.140 0.000 1.230 197 P CA -0.046 63.127 63.100 0.122 0.000 0.788 197 P CB 0.693 32.427 31.700 0.057 0.000 0.949 198 D N 1.272 121.683 120.400 0.019 0.000 2.123 198 D HA -0.142 4.498 4.640 -0.000 0.000 0.196 198 D C 1.921 178.230 176.300 0.014 0.000 0.992 198 D CA 1.851 55.842 54.000 -0.016 0.000 0.833 198 D CB -0.641 40.097 40.800 -0.103 0.000 0.954 198 D HN 0.444 nan 8.370 nan 0.000 0.455 199 A N 0.175 122.995 122.820 0.001 0.000 2.014 199 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 199 A C 1.575 179.158 177.584 -0.002 0.000 1.163 199 A CA 1.718 53.747 52.037 -0.014 0.000 0.652 199 A CB -0.146 18.843 19.000 -0.018 0.000 0.808 199 A HN 0.303 nan 8.150 nan 0.000 0.449 200 T N -3.104 111.470 114.554 0.034 0.000 3.697 200 T HA 0.647 4.997 4.350 -0.000 0.000 0.260 200 T C 0.088 174.829 174.700 0.069 0.000 0.998 200 T CA 0.132 62.255 62.100 0.037 0.000 1.128 200 T CB -0.152 68.733 68.868 0.028 0.000 1.082 200 T HN 0.628 nan 8.240 nan 0.000 0.541 201 A N 1.137 124.023 122.820 0.110 0.000 2.498 201 A HA 0.608 4.928 4.320 -0.000 0.000 0.239 201 A C 0.151 177.754 177.584 0.031 0.000 1.068 201 A CA -0.170 51.946 52.037 0.131 0.000 0.766 201 A CB 0.238 19.395 19.000 0.261 0.000 1.003 201 A HN 0.647 nan 8.150 nan 0.000 0.497 202 V N 1.352 121.243 119.914 -0.037 0.000 2.638 202 V HA 0.613 4.733 4.120 -0.000 0.000 0.306 202 V C 0.382 176.421 176.094 -0.092 0.000 1.052 202 V CA -0.269 62.009 62.300 -0.037 0.000 0.885 202 V CB 1.672 33.483 31.823 -0.020 0.000 0.999 202 V HN 1.246 nan 8.190 nan 0.000 0.424 203 A N 4.277 127.070 122.820 -0.045 0.000 2.289 203 A HA 0.744 5.064 4.320 -0.000 0.000 0.298 203 A C -0.521 177.042 177.584 -0.036 0.000 1.208 203 A CA -0.387 51.616 52.037 -0.056 0.000 0.845 203 A CB 0.837 19.833 19.000 -0.006 0.000 1.125 203 A HN 0.713 nan 8.150 nan 0.000 0.517 204 V N 5.059 124.942 119.914 -0.051 0.000 2.328 204 V HA 0.225 4.345 4.120 -0.000 0.000 0.278 204 V C -0.159 175.928 176.094 -0.011 0.000 1.021 204 V CA -0.566 61.719 62.300 -0.024 0.000 0.838 204 V CB 0.952 32.760 31.823 -0.025 0.000 0.999 204 V HN 0.701 nan 8.190 nan 0.000 0.447 205 L N 5.384 126.613 121.223 0.011 0.000 2.350 205 L HA 0.586 4.926 4.340 -0.000 0.000 0.275 205 L C 0.086 176.984 176.870 0.047 0.000 1.099 205 L CA 0.022 54.880 54.840 0.030 0.000 0.808 205 L CB 0.962 43.044 42.059 0.039 0.000 1.149 205 L HN 0.634 nan 8.230 nan 0.000 0.442 206 K N 3.014 123.453 120.400 0.064 0.000 2.501 206 K HA 0.360 4.680 4.320 -0.000 0.000 0.252 206 K C -1.664 175.020 176.600 0.140 0.000 0.934 206 K CA -0.690 55.648 56.287 0.084 0.000 0.797 206 K CB 2.803 35.330 32.500 0.044 0.000 1.270 206 K HN 0.354 nan 8.250 nan 0.000 0.431 207 Y N 3.172 123.499 120.300 0.045 0.000 2.345 207 Y HA 0.189 4.739 4.550 -0.000 0.000 0.331 207 Y C -0.367 175.578 175.900 0.076 0.000 0.959 207 Y CA -0.382 57.754 58.100 0.059 0.000 1.204 207 Y CB 0.783 39.260 38.460 0.029 0.000 1.135 207 Y HN 0.701 nan 8.280 nan 0.000 0.477 208 N N 4.531 123.044 118.700 -0.311 0.000 2.727 208 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 208 N C 0.864 176.370 175.510 -0.007 0.000 1.040 208 N CA 1.426 54.392 53.050 -0.140 0.000 0.712 208 N CB -1.194 37.208 38.487 -0.141 0.000 0.912 208 N HN 1.285 nan 8.380 nan 0.000 0.545 209 G N -1.321 107.482 108.800 0.005 0.000 2.189 209 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.267 209 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.267 209 G C 0.047 174.979 174.900 0.054 0.000 0.975 209 G CA 0.581 45.699 45.100 0.030 0.000 0.644 209 G HN 0.472 nan 8.290 nan 0.000 0.537 210 I N 1.517 122.126 120.570 0.066 0.000 2.362 210 I HA 0.371 4.541 4.170 -0.000 0.000 0.289 210 I C 1.113 177.276 176.117 0.076 0.000 0.994 210 I CA -1.645 59.698 61.300 0.073 0.000 1.158 210 I CB 1.197 39.247 38.000 0.083 0.000 1.315 210 I HN 0.020 nan 8.210 nan 0.000 0.451 211 I N 6.517 127.123 120.570 0.059 0.000 2.845 211 I HA -0.140 4.030 4.170 -0.000 0.000 0.290 211 I C 1.460 177.609 176.117 0.053 0.000 1.202 211 I CA 0.590 61.920 61.300 0.051 0.000 1.406 211 I CB 0.294 38.317 38.000 0.038 0.000 1.383 211 I HN 0.704 nan 8.210 nan 0.000 0.549 212 T N 0.490 115.079 114.554 0.058 0.000 3.018 212 T HA 0.183 4.533 4.350 -0.000 0.000 0.246 212 T C 0.366 175.085 174.700 0.031 0.000 1.026 212 T CA -0.084 62.046 62.100 0.051 0.000 1.081 212 T CB 0.585 69.496 68.868 0.072 0.000 0.970 212 T HN 0.570 nan 8.240 nan 0.000 0.475 213 D N 0.331 120.749 120.400 0.030 0.000 2.779 213 D HA 0.486 5.126 4.640 -0.000 0.000 0.331 213 D C -1.565 174.745 176.300 0.017 0.000 1.331 213 D CA -0.038 53.974 54.000 0.019 0.000 0.866 213 D CB 1.982 42.791 40.800 0.016 0.000 1.409 213 D HN 0.345 nan 8.370 nan 0.000 0.486 214 T N -1.232 113.330 114.554 0.014 0.000 2.942 214 T HA 0.631 4.981 4.350 -0.000 0.000 0.327 214 T C -1.763 172.949 174.700 0.019 0.000 1.360 214 T CA -0.743 61.365 62.100 0.013 0.000 1.055 214 T CB 1.316 70.190 68.868 0.010 0.000 1.261 214 T HN 0.285 nan 8.240 nan 0.000 0.485 215 L N 1.276 122.516 121.223 0.030 0.000 2.436 215 L HA 0.775 5.115 4.340 -0.000 0.000 0.268 215 L C -0.566 176.351 176.870 0.078 0.000 0.974 215 L CA -0.518 54.356 54.840 0.057 0.000 0.826 215 L CB 2.029 44.131 42.059 0.072 0.000 1.291 215 L HN 0.979 nan 8.230 nan 0.000 0.406 216 K N 1.846 122.305 120.400 0.099 0.000 2.185 216 K HA 0.524 4.844 4.320 -0.000 0.000 0.240 216 K C -0.392 176.304 176.600 0.160 0.000 0.983 216 K CA -0.632 55.713 56.287 0.096 0.000 0.873 216 K CB 1.753 34.294 32.500 0.067 0.000 1.118 216 K HN 0.602 nan 8.250 nan 0.000 0.441 217 S N 2.538 118.290 115.700 0.086 0.000 2.555 217 S HA -0.046 4.424 4.470 -0.000 0.000 0.293 217 S C 0.429 175.058 174.600 0.048 0.000 1.248 217 S CA -0.083 58.119 58.200 0.003 0.000 1.096 217 S CB -0.064 63.102 63.200 -0.056 0.000 0.881 217 S HN 0.647 nan 8.310 nan 0.000 0.498 218 W N 4.669 125.945 121.300 -0.039 0.000 3.278 218 W HA 0.548 5.208 4.660 -0.000 0.000 0.308 218 W C 1.009 177.454 176.519 -0.123 0.000 1.253 218 W CA -0.524 56.779 57.345 -0.070 0.000 1.759 218 W CB 0.102 29.522 29.460 -0.067 0.000 1.093 218 W HN 0.578 nan 8.180 nan 0.000 0.648 219 K N 0.356 120.429 120.400 -0.546 0.000 2.491 219 K HA 0.295 4.615 4.320 -0.000 0.000 0.211 219 K C 1.479 177.885 176.600 -0.323 0.000 1.210 219 K CA 0.731 56.704 56.287 -0.523 0.000 1.003 219 K CB 0.643 32.667 32.500 -0.793 0.000 1.009 219 K HN 0.078 nan 8.250 nan 0.000 0.577 220 G N 1.494 110.142 108.800 -0.253 0.000 2.176 220 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.252 220 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.252 220 G C -0.331 174.491 174.900 -0.130 0.000 1.024 220 G CA 0.518 45.529 45.100 -0.148 0.000 0.755 220 G HN 0.415 nan 8.290 nan 0.000 0.507 221 N N -0.125 118.477 118.700 -0.163 0.000 2.690 221 N HA 0.465 5.205 4.740 -0.000 0.000 0.255 221 N C 0.743 176.204 175.510 -0.082 0.000 1.195 221 N CA -0.914 52.070 53.050 -0.110 0.000 0.790 221 N CB 0.149 38.572 38.487 -0.106 0.000 1.216 221 N HN 0.381 nan 8.380 nan 0.000 0.528 222 I N 1.788 122.337 120.570 -0.036 0.000 6.390 222 I HA -0.306 3.864 4.170 -0.000 0.000 0.126 222 I C 0.323 176.498 176.117 0.097 0.000 1.533 222 I CA 0.449 61.764 61.300 0.025 0.000 2.474 222 I CB -0.948 37.027 38.000 -0.042 0.000 2.913 222 I HN 0.698 nan 8.210 nan 0.000 0.284 223 M N 5.848 125.515 119.600 0.111 0.000 2.248 223 M HA 0.251 4.731 4.480 -0.000 0.000 0.345 223 M C 0.651 177.075 176.300 0.208 0.000 1.243 223 M CA 0.868 56.191 55.300 0.039 0.000 1.090 223 M CB 0.335 32.918 32.600 -0.028 0.000 1.683 223 M HN 0.549 nan 8.290 nan 0.000 0.450 224 R N 2.148 122.745 120.500 0.162 0.000 2.766 224 R HA 0.793 5.133 4.340 -0.000 0.000 0.270 224 R C -1.206 175.198 176.300 0.173 0.000 1.035 224 R CA -1.084 55.148 56.100 0.219 0.000 0.911 224 R CB 1.691 32.154 30.300 0.272 0.000 1.243 224 R HN 0.626 nan 8.270 nan 0.000 0.460 225 T N -1.887 112.771 114.554 0.172 0.000 2.618 225 T HA 0.148 4.498 4.350 -0.000 0.000 0.293 225 T C 0.453 175.241 174.700 0.147 0.000 1.093 225 T CA -0.418 61.769 62.100 0.146 0.000 1.061 225 T CB 1.462 70.394 68.868 0.106 0.000 1.498 225 T HN 0.648 nan 8.240 nan 0.000 0.494 226 Q N 0.241 120.106 119.800 0.108 0.000 2.103 226 Q HA -0.190 4.150 4.340 -0.000 0.000 0.213 226 Q C -0.073 175.991 176.000 0.106 0.000 1.008 226 Q CA 2.197 58.054 55.803 0.090 0.000 0.879 226 Q CB -0.163 28.591 28.738 0.027 0.000 0.946 226 Q HN 0.684 nan 8.270 nan 0.000 0.413 227 E N -0.687 119.548 120.200 0.059 0.000 3.070 227 E HA -0.157 4.193 4.350 -0.000 0.000 0.285 227 E C -0.522 176.059 176.600 -0.031 0.000 0.972 227 E CA 1.125 57.626 56.400 0.169 0.000 0.915 227 E CB -1.887 28.064 29.700 0.418 0.000 1.466 227 E HN 0.287 nan 8.360 nan 0.000 0.432 228 S N -0.511 114.893 115.700 -0.494 0.000 2.596 228 S HA 0.392 4.862 4.470 -0.000 0.000 0.270 228 S C -0.974 173.185 174.600 -0.736 0.000 1.155 228 S CA -0.292 57.588 58.200 -0.533 0.000 0.827 228 S CB 1.679 64.948 63.200 0.114 0.000 1.130 228 S HN 0.263 nan 8.310 nan 0.000 0.467 229 E N 1.263 121.245 120.200 -0.363 0.000 2.413 229 E HA 0.371 4.721 4.350 -0.000 0.000 0.263 229 E C 0.516 177.153 176.600 0.062 0.000 1.015 229 E CA -0.640 55.723 56.400 -0.062 0.000 0.916 229 E CB -0.014 29.842 29.700 0.259 0.000 0.947 229 E HN 0.729 nan 8.360 nan 0.000 0.440 230 c N 1.872 120.524 118.600 0.087 0.000 2.574 230 c HA 0.666 5.236 4.570 -0.000 0.000 0.335 230 c C 0.255 174.469 174.090 0.206 0.000 1.493 230 c CA -1.020 55.399 56.329 0.150 0.000 2.217 230 c CB -0.048 42.549 42.510 0.145 0.000 2.056 230 c HN 0.607 nan 8.230 nan 0.000 0.607 231 V N -0.002 120.055 119.914 0.238 0.000 2.588 231 V HA 0.511 4.631 4.120 -0.000 0.000 0.304 231 V C -0.311 175.974 176.094 0.319 0.000 1.042 231 V CA -0.162 62.280 62.300 0.237 0.000 0.877 231 V CB 1.170 33.079 31.823 0.142 0.000 0.996 231 V HN 1.162 nan 8.190 nan 0.000 0.425 232 c N 4.245 123.026 118.600 0.302 0.000 2.455 232 c HA 0.834 5.404 4.570 -0.000 0.000 0.320 232 c C -0.241 174.049 174.090 0.333 0.000 1.226 232 c CA -0.777 55.756 56.329 0.341 0.000 1.569 232 c CB 1.103 43.791 42.510 0.296 0.000 2.200 232 c HN 0.952 nan 8.230 nan 0.000 0.491 233 Q N 0.550 120.568 119.800 0.363 0.000 2.377 233 Q HA 0.315 4.655 4.340 -0.000 0.000 0.279 233 Q C -1.217 174.972 176.000 0.315 0.000 1.049 233 Q CA -0.693 55.293 55.803 0.306 0.000 0.825 233 Q CB 1.837 30.713 28.738 0.230 0.000 1.401 233 Q HN 0.779 nan 8.270 nan 0.000 0.404 234 D N 2.583 123.159 120.400 0.292 0.000 2.720 234 D HA -0.241 4.399 4.640 -0.000 0.000 0.229 234 D C -0.139 176.128 176.300 -0.055 0.000 1.198 234 D CA 1.739 55.874 54.000 0.226 0.000 0.639 234 D CB -0.700 40.241 40.800 0.236 0.000 1.003 234 D HN 0.866 nan 8.370 nan 0.000 0.411 235 E N -3.009 117.115 120.200 -0.127 0.000 3.912 235 E HA -0.291 4.059 4.350 -0.000 0.000 0.335 235 E C 0.180 176.559 176.600 -0.369 0.000 0.654 235 E CA 1.237 57.417 56.400 -0.366 0.000 1.177 235 E CB -1.331 27.965 29.700 -0.675 0.000 1.650 235 E HN 0.499 nan 8.360 nan 0.000 0.430 236 F N 0.806 120.742 119.950 -0.023 0.000 2.408 236 F HA 0.332 4.859 4.527 -0.000 0.000 0.344 236 F C 0.679 176.394 175.800 -0.141 0.000 1.112 236 F CA -0.852 57.062 58.000 -0.144 0.000 1.096 236 F CB 1.184 40.067 39.000 -0.195 0.000 1.129 236 F HN -0.115 nan 8.300 nan 0.000 0.486 237 c N 3.364 121.933 118.600 -0.052 0.000 2.382 237 c HA 0.627 5.197 4.570 -0.000 0.000 0.327 237 c C -0.808 173.188 174.090 -0.157 0.000 1.250 237 c CA -1.147 55.201 56.329 0.031 0.000 1.707 237 c CB 0.109 42.684 42.510 0.108 0.000 2.272 237 c HN 0.626 nan 8.230 nan 0.000 0.506 238 Y N 0.512 120.924 120.300 0.186 0.000 2.524 238 Y HA 0.772 5.322 4.550 -0.000 0.000 0.344 238 Y C 0.537 176.570 175.900 0.222 0.000 1.012 238 Y CA -0.597 57.640 58.100 0.230 0.000 1.068 238 Y CB 1.867 40.536 38.460 0.347 0.000 1.249 238 Y HN 0.657 nan 8.280 nan 0.000 0.468 239 T N 1.930 116.691 114.554 0.345 0.000 2.762 239 T HA 0.604 4.954 4.350 -0.000 0.000 0.301 239 T C -2.386 172.386 174.700 0.120 0.000 1.299 239 T CA -0.593 61.642 62.100 0.225 0.000 1.005 239 T CB 1.346 70.297 68.868 0.137 0.000 1.377 239 T HN 0.512 nan 8.240 nan 0.000 0.504 240 L N 2.810 124.078 121.223 0.076 0.000 2.381 240 L HA 0.748 5.088 4.340 -0.000 0.000 0.268 240 L C -1.455 175.463 176.870 0.079 0.000 0.997 240 L CA -0.908 53.926 54.840 -0.010 0.000 0.818 240 L CB 1.360 43.381 42.059 -0.064 0.000 1.310 240 L HN 0.765 nan 8.230 nan 0.000 0.416 241 I N 2.793 123.444 120.570 0.135 0.000 2.582 241 I HA 0.404 4.574 4.170 -0.000 0.000 0.292 241 I C -0.421 175.931 176.117 0.392 0.000 1.066 241 I CA -0.370 61.084 61.300 0.256 0.000 1.053 241 I CB 2.614 40.801 38.000 0.313 0.000 1.241 241 I HN 0.518 nan 8.210 nan 0.000 0.421 242 T N 2.996 117.720 114.554 0.284 0.000 2.885 242 T HA 0.453 4.803 4.350 -0.000 0.000 0.285 242 T C -1.280 173.383 174.700 -0.062 0.000 1.019 242 T CA -0.513 61.722 62.100 0.224 0.000 1.010 242 T CB 1.862 70.890 68.868 0.266 0.000 1.022 242 T HN 0.466 nan 8.240 nan 0.000 0.466 243 D N 0.184 120.423 120.400 -0.268 0.000 2.970 243 D HA 0.618 5.258 4.640 -0.000 0.000 0.230 243 D C -0.107 176.050 176.300 -0.238 0.000 1.276 243 D CA 0.354 54.080 54.000 -0.457 0.000 0.910 243 D CB 1.476 41.560 40.800 -1.194 0.000 1.590 243 D HN 0.957 nan 8.370 nan 0.000 0.551 244 G N 2.765 111.490 108.800 -0.124 0.000 2.334 244 G HA2 0.107 4.067 3.960 -0.000 0.000 0.315 244 G HA3 0.107 4.067 3.960 -0.000 0.000 0.315 244 G C -2.961 171.944 174.900 0.009 0.000 1.284 244 G CA -0.857 44.239 45.100 -0.005 0.000 0.985 244 G HN 0.382 nan 8.290 nan 0.000 0.504 245 P HA 0.220 nan 4.420 nan 0.000 0.268 245 P C 0.833 178.167 177.300 0.056 0.000 1.204 245 P CA 0.633 63.722 63.100 -0.018 0.000 0.768 245 P CB 1.339 32.980 31.700 -0.097 0.000 0.842 246 S N 0.408 116.143 115.700 0.058 0.000 2.593 246 S HA 0.002 4.472 4.470 -0.000 0.000 0.217 246 S C 1.131 175.654 174.600 -0.128 0.000 0.966 246 S CA 0.197 58.464 58.200 0.111 0.000 0.914 246 S CB -0.360 62.919 63.200 0.132 0.000 0.776 246 S HN 0.315 nan 8.310 nan 0.000 0.523 247 D N 1.759 122.051 120.400 -0.179 0.000 2.183 247 D HA 0.431 5.071 4.640 -0.000 0.000 0.205 247 D C 1.012 176.980 176.300 -0.553 0.000 0.962 247 D CA 1.067 54.922 54.000 -0.241 0.000 0.849 247 D CB 0.548 41.255 40.800 -0.155 0.000 0.978 247 D HN 0.544 nan 8.370 nan 0.000 0.488 248 A N -0.711 121.579 122.820 -0.884 0.000 4.642 248 A HA 0.323 4.643 4.320 -0.000 0.000 0.248 248 A C -1.032 175.649 177.584 -1.505 0.000 0.987 248 A CA -0.440 50.385 52.037 -2.021 0.000 0.622 248 A CB 0.339 18.628 19.000 -1.186 0.000 1.769 248 A HN -0.167 nan 8.150 nan 0.000 0.864 249 Q N 0.444 119.328 119.800 -1.526 0.000 2.398 249 Q HA 0.349 4.689 4.340 -0.000 0.000 0.329 249 Q C 0.117 175.860 176.000 -0.428 0.000 1.079 249 Q CA 1.032 56.434 55.803 -0.669 0.000 1.041 249 Q CB 0.288 28.764 28.738 -0.438 0.000 1.084 249 Q HN 0.993 nan 8.270 nan 0.000 0.386 250 A N 3.096 125.715 122.820 -0.335 0.000 2.387 250 A HA 0.839 5.159 4.320 -0.000 0.000 0.298 250 A C -1.262 175.584 177.584 -1.230 0.000 1.165 250 A CA -0.611 51.158 52.037 -0.446 0.000 0.814 250 A CB 1.025 19.935 19.000 -0.150 0.000 1.357 250 A HN 0.499 nan 8.150 nan 0.000 0.443 251 F N -0.222 119.254 119.950 -0.791 0.000 2.495 251 F HA 0.641 5.168 4.527 -0.000 0.000 0.327 251 F C -0.738 174.699 175.800 -0.604 0.000 1.103 251 F CA -0.269 57.312 58.000 -0.698 0.000 0.949 251 F CB 1.508 40.439 39.000 -0.116 0.000 1.142 251 F HN 0.457 nan 8.300 nan 0.000 0.457 252 Y N 0.497 121.009 120.300 0.353 0.000 2.524 252 Y HA 0.765 5.315 4.550 -0.000 0.000 0.344 252 Y C -0.462 175.473 175.900 0.057 0.000 1.012 252 Y CA -1.355 56.882 58.100 0.228 0.000 1.068 252 Y CB 1.988 40.432 38.460 -0.028 0.000 1.249 252 Y HN 0.376 nan 8.280 nan 0.000 0.468 253 K N 2.101 122.567 120.400 0.110 0.000 2.498 253 K HA 0.603 4.923 4.320 -0.000 0.000 0.254 253 K C -1.609 174.865 176.600 -0.210 0.000 0.933 253 K CA -0.627 55.541 56.287 -0.199 0.000 0.806 253 K CB 2.802 35.009 32.500 -0.489 0.000 1.301 253 K HN 0.572 nan 8.250 nan 0.000 0.432 254 I N 3.833 124.217 120.570 -0.311 0.000 2.412 254 I HA 0.395 4.565 4.170 -0.000 0.000 0.296 254 I C -0.484 175.533 176.117 -0.167 0.000 0.987 254 I CA -0.877 60.215 61.300 -0.347 0.000 1.180 254 I CB 1.047 38.682 38.000 -0.608 0.000 1.340 254 I HN 0.282 nan 8.210 nan 0.000 0.455 255 L N 5.390 126.584 121.223 -0.048 0.000 2.333 255 L HA 0.583 4.923 4.340 -0.000 0.000 0.269 255 L C -0.440 176.442 176.870 0.020 0.000 1.010 255 L CA -0.939 53.889 54.840 -0.019 0.000 0.818 255 L CB 1.993 44.045 42.059 -0.012 0.000 1.306 255 L HN 0.495 nan 8.230 nan 0.000 0.430 256 K N 2.553 122.907 120.400 -0.076 0.000 2.450 256 K HA 0.649 4.969 4.320 -0.000 0.000 0.257 256 K C -1.488 175.023 176.600 -0.149 0.000 0.953 256 K CA -0.386 55.747 56.287 -0.256 0.000 0.844 256 K CB 1.335 33.674 32.500 -0.268 0.000 1.103 256 K HN 0.495 nan 8.250 nan 0.000 0.429 257 I N 3.440 123.933 120.570 -0.130 0.000 2.465 257 I HA 0.352 4.522 4.170 -0.000 0.000 0.291 257 I C -0.397 175.754 176.117 0.057 0.000 1.014 257 I CA -0.944 60.352 61.300 -0.006 0.000 1.093 257 I CB 1.837 39.840 38.000 0.005 0.000 1.267 257 I HN 0.264 nan 8.210 nan 0.000 0.431 258 K N 6.154 126.572 120.400 0.030 0.000 2.483 258 K HA 0.271 4.591 4.320 -0.000 0.000 0.256 258 K C -0.545 175.930 176.600 -0.209 0.000 0.961 258 K CA -0.571 55.641 56.287 -0.124 0.000 0.873 258 K CB 0.969 33.397 32.500 -0.120 0.000 1.107 258 K HN 0.428 nan 8.250 nan 0.000 0.432 259 K N 2.022 122.213 120.400 -0.348 0.000 3.035 259 K HA -0.238 4.082 4.320 -0.000 0.000 0.262 259 K C 0.661 177.092 176.600 -0.281 0.000 1.024 259 K CA 1.112 57.005 56.287 -0.658 0.000 0.748 259 K CB -1.956 30.165 32.500 -0.632 0.000 1.247 259 K HN 1.141 nan 8.250 nan 0.000 0.482 260 G N -0.959 107.826 108.800 -0.026 0.000 2.225 260 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.254 260 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.254 260 G C 0.062 174.977 174.900 0.026 0.000 0.988 260 G CA 0.675 45.824 45.100 0.082 0.000 0.625 260 G HN 0.372 nan 8.290 nan 0.000 0.527 261 K N 0.318 120.707 120.400 -0.018 0.000 2.143 261 K HA 0.616 4.936 4.320 -0.000 0.000 0.272 261 K C 0.359 176.959 176.600 0.001 0.000 1.001 261 K CA -0.657 55.623 56.287 -0.011 0.000 0.915 261 K CB 1.366 33.849 32.500 -0.027 0.000 1.047 261 K HN 0.225 nan 8.250 nan 0.000 0.458 262 I N 3.337 123.907 120.570 -0.001 0.000 2.322 262 I HA 0.061 4.231 4.170 -0.000 0.000 0.292 262 I C -0.432 175.679 176.117 -0.010 0.000 1.060 262 I CA -0.594 60.700 61.300 -0.009 0.000 1.309 262 I CB 0.893 38.883 38.000 -0.017 0.000 1.415 262 I HN 0.187 nan 8.210 nan 0.000 0.492 263 V N 6.904 126.814 119.914 -0.007 0.000 2.277 263 V HA 0.229 4.349 4.120 -0.000 0.000 0.269 263 V C 0.161 176.218 176.094 -0.061 0.000 1.036 263 V CA -0.197 62.097 62.300 -0.010 0.000 0.821 263 V CB 0.396 32.250 31.823 0.052 0.000 1.052 263 V HN 1.095 nan 8.190 nan 0.000 0.462 264 S N 3.634 119.300 115.700 -0.056 0.000 3.465 264 S HA -0.051 4.419 4.470 -0.000 0.000 0.849 264 S C -0.846 173.707 174.600 -0.079 0.000 1.200 264 S CA 0.150 58.309 58.200 -0.069 0.000 0.947 264 S CB -0.710 62.447 63.200 -0.072 0.000 0.609 264 S HN 2.201 nan 8.310 nan 0.000 0.300 265 V N 1.679 121.538 119.914 -0.091 0.000 2.932 265 V HA 0.853 4.973 4.120 -0.000 0.000 0.307 265 V C -0.865 175.148 176.094 -0.135 0.000 1.147 265 V CA -0.813 61.415 62.300 -0.120 0.000 0.951 265 V CB 2.004 33.732 31.823 -0.158 0.000 1.031 265 V HN 1.202 nan 8.190 nan 0.000 0.426 266 K N 3.239 123.549 120.400 -0.150 0.000 2.259 266 K HA 0.516 4.836 4.320 -0.000 0.000 0.252 266 K C -1.238 175.237 176.600 -0.209 0.000 0.936 266 K CA -0.821 55.385 56.287 -0.136 0.000 0.810 266 K CB 1.758 34.224 32.500 -0.057 0.000 1.143 266 K HN 0.810 nan 8.250 nan 0.000 0.427 267 D N 1.795 122.098 120.400 -0.161 0.000 2.264 267 D HA 0.136 4.776 4.640 -0.000 0.000 0.250 267 D C -0.644 175.569 176.300 -0.145 0.000 1.113 267 D CA -0.146 53.756 54.000 -0.164 0.000 0.871 267 D CB 1.725 42.467 40.800 -0.097 0.000 1.167 267 D HN 0.028 nan 8.370 nan 0.000 0.447 268 V N 2.971 122.768 119.914 -0.195 0.000 2.350 268 V HA 0.048 4.168 4.120 -0.000 0.000 0.276 268 V C 0.055 176.120 176.094 -0.048 0.000 1.028 268 V CA -0.691 61.392 62.300 -0.362 0.000 0.860 268 V CB 1.488 32.977 31.823 -0.556 0.000 0.990 268 V HN 0.409 nan 8.190 nan 0.000 0.453 269 D N 4.877 125.306 120.400 0.049 0.000 2.411 269 D HA 0.524 5.164 4.640 -0.000 0.000 0.225 269 D C 0.254 176.609 176.300 0.092 0.000 1.156 269 D CA -0.008 54.061 54.000 0.115 0.000 0.874 269 D CB 0.987 41.873 40.800 0.143 0.000 1.034 269 D HN 0.668 nan 8.370 nan 0.000 0.502 270 A N 5.107 128.009 122.820 0.136 0.000 3.297 270 A HA 0.357 4.677 4.320 -0.000 0.000 0.304 270 A C -2.492 175.313 177.584 0.369 0.000 0.963 270 A CA -1.170 50.927 52.037 0.099 0.000 0.935 270 A CB 0.354 19.358 19.000 0.007 0.000 1.093 270 A HN 0.416 nan 8.150 nan 0.000 0.480 271 P HA 0.207 nan 4.420 nan 0.000 0.263 271 P C 1.045 178.588 177.300 0.404 0.000 1.195 271 P CA 2.008 65.288 63.100 0.299 0.000 0.762 271 P CB 0.982 32.800 31.700 0.196 0.000 0.799 272 G N 2.572 111.614 108.800 0.405 0.000 2.284 272 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.230 272 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.230 272 G C -0.140 174.894 174.900 0.224 0.000 1.021 272 G CA -0.464 44.769 45.100 0.220 0.000 0.619 272 G HN 0.420 nan 8.290 nan 0.000 0.510 273 F N 1.642 121.742 119.950 0.249 0.000 2.371 273 F HA 0.683 5.210 4.527 -0.000 0.000 0.329 273 F C 0.781 176.722 175.800 0.235 0.000 1.107 273 F CA -0.322 57.761 58.000 0.138 0.000 1.137 273 F CB 1.075 40.026 39.000 -0.082 0.000 1.214 273 F HN 0.098 nan 8.300 nan 0.000 0.536 274 H N 3.618 122.726 119.070 0.063 0.000 3.078 274 H HA 0.308 4.864 4.556 -0.000 0.000 0.319 274 H C -1.686 173.470 175.328 -0.287 0.000 0.995 274 H CA -0.585 55.528 56.048 0.108 0.000 1.417 274 H CB 0.661 30.607 29.762 0.307 0.000 1.598 274 H HN 0.458 nan 8.280 nan 0.000 0.515 275 F N 3.191 122.772 119.950 -0.616 0.000 2.436 275 F HA 0.388 4.915 4.527 -0.000 0.000 0.340 275 F C 0.307 175.958 175.800 -0.249 0.000 1.113 275 F CA -0.308 57.398 58.000 -0.490 0.000 1.022 275 F CB 1.647 40.189 39.000 -0.763 0.000 1.128 275 F HN 0.430 nan 8.300 nan 0.000 0.466 276 E N 1.085 121.346 120.200 0.101 0.000 2.412 276 E HA 0.194 4.544 4.350 -0.000 0.000 0.279 276 E C -1.185 175.505 176.600 0.150 0.000 0.984 276 E CA -1.110 55.372 56.400 0.137 0.000 0.788 276 E CB 1.973 31.768 29.700 0.159 0.000 1.277 276 E HN 0.565 nan 8.360 nan 0.000 0.455 277 E N 0.166 120.463 120.200 0.162 0.000 2.024 277 E HA -0.248 4.102 4.350 -0.000 0.000 0.171 277 E C -0.688 175.994 176.600 0.137 0.000 1.417 277 E CA 0.083 56.575 56.400 0.153 0.000 0.650 277 E CB -1.579 28.202 29.700 0.135 0.000 1.044 277 E HN 0.298 nan 8.360 nan 0.000 0.308 278 c N 1.507 120.197 118.600 0.150 0.000 2.653 278 c HA 0.146 4.716 4.570 -0.000 0.000 0.421 278 c C 1.192 175.386 174.090 0.174 0.000 1.334 278 c CA -0.289 56.142 56.329 0.170 0.000 1.885 278 c CB 0.546 43.154 42.510 0.164 0.000 2.645 278 c HN 0.431 nan 8.230 nan 0.000 0.601 279 S N 2.136 117.958 115.700 0.204 0.000 2.488 279 S HA 0.339 4.809 4.470 -0.000 0.000 0.310 279 S C -0.090 174.687 174.600 0.295 0.000 1.093 279 S CA -0.481 57.855 58.200 0.227 0.000 1.129 279 S CB 0.124 63.457 63.200 0.222 0.000 0.989 279 S HN 0.839 nan 8.310 nan 0.000 0.479 280 c N 3.008 121.775 118.600 0.278 0.000 2.325 280 c HA 0.919 5.489 4.570 -0.000 0.000 0.370 280 c C -0.331 174.000 174.090 0.401 0.000 1.217 280 c CA -0.788 55.696 56.329 0.257 0.000 2.254 280 c CB -0.086 42.524 42.510 0.166 0.000 2.282 280 c HN 0.900 nan 8.230 nan 0.000 0.564 281 Y N -1.857 118.521 120.300 0.131 0.000 2.702 281 Y HA 0.668 5.218 4.550 -0.000 0.000 0.336 281 Y C -3.349 172.552 175.900 0.002 0.000 1.203 281 Y CA -2.478 55.693 58.100 0.118 0.000 1.072 281 Y CB 0.256 38.858 38.460 0.238 0.000 1.327 281 Y HN 0.452 nan 8.280 nan 0.000 0.456 282 P HA 0.426 nan 4.420 nan 0.000 0.290 282 P C -0.992 176.298 177.300 -0.016 0.000 1.275 282 P CA -0.595 62.468 63.100 -0.060 0.000 0.841 282 P CB 1.976 33.659 31.700 -0.029 0.000 1.042 283 S N 0.290 115.916 115.700 -0.122 0.000 2.461 283 S HA 0.520 4.990 4.470 -0.000 0.000 0.216 283 S C 0.237 174.767 174.600 -0.117 0.000 1.201 283 S CA -0.239 57.903 58.200 -0.096 0.000 1.171 283 S CB -0.308 62.829 63.200 -0.106 0.000 1.169 283 S HN 0.831 nan 8.310 nan 0.000 0.456 284 G N 2.793 111.542 108.800 -0.085 0.000 2.222 284 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.234 284 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.234 284 G C 0.436 175.289 174.900 -0.078 0.000 0.698 284 G CA 0.595 45.653 45.100 -0.070 0.000 1.094 284 G HN 1.240 nan 8.290 nan 0.000 0.316 285 E N -1.110 119.049 120.200 -0.068 0.000 3.680 285 E HA -0.264 4.086 4.350 -0.000 0.000 0.309 285 E C 0.765 177.280 176.600 -0.141 0.000 0.793 285 E CA 1.715 58.072 56.400 -0.071 0.000 1.083 285 E CB -0.578 29.097 29.700 -0.041 0.000 1.548 285 E HN 0.684 nan 8.360 nan 0.000 0.456 286 N N -0.807 117.776 118.700 -0.194 0.000 2.577 286 N HA 0.553 5.293 4.740 -0.000 0.000 0.285 286 N C -1.188 174.066 175.510 -0.428 0.000 1.309 286 N CA -0.500 52.372 53.050 -0.297 0.000 0.798 286 N CB 2.164 40.518 38.487 -0.222 0.000 1.463 286 N HN -0.109 nan 8.380 nan 0.000 0.518 287 V N 0.879 120.400 119.914 -0.656 0.000 2.443 287 V HA 0.319 4.439 4.120 -0.000 0.000 0.293 287 V C -0.477 175.188 176.094 -0.716 0.000 1.021 287 V CA -0.618 61.211 62.300 -0.785 0.000 0.848 287 V CB 1.526 32.634 31.823 -1.192 0.000 0.998 287 V HN 0.510 nan 8.190 nan 0.000 0.424 288 E N 3.141 122.938 120.200 -0.672 0.000 2.175 288 E HA 0.584 4.934 4.350 -0.000 0.000 0.278 288 E C -1.260 175.079 176.600 -0.434 0.000 0.969 288 E CA -0.408 55.656 56.400 -0.559 0.000 0.796 288 E CB 1.755 30.970 29.700 -0.808 0.000 1.104 288 E HN 0.681 nan 8.360 nan 0.000 0.395 289 c N 2.799 121.428 118.600 0.048 0.000 2.482 289 c HA 0.485 5.055 4.570 -0.000 0.000 0.317 289 c C -0.366 173.954 174.090 0.382 0.000 1.197 289 c CA -0.840 55.617 56.329 0.214 0.000 1.432 289 c CB 0.947 43.604 42.510 0.246 0.000 2.062 289 c HN 0.441 nan 8.230 nan 0.000 0.471 290 V N 2.778 122.921 119.914 0.381 0.000 2.357 290 V HA 0.479 4.599 4.120 -0.000 0.000 0.284 290 V C 0.239 176.496 176.094 0.272 0.000 1.018 290 V CA -0.131 62.401 62.300 0.386 0.000 0.841 290 V CB 0.731 32.767 31.823 0.355 0.000 0.991 290 V HN 1.154 nan 8.190 nan 0.000 0.437 291 c N 3.695 122.446 118.600 0.253 0.000 2.880 291 c HA 0.740 5.310 4.570 -0.000 0.000 0.387 291 c C 0.311 174.455 174.090 0.091 0.000 2.619 291 c CA -0.958 55.483 56.329 0.187 0.000 1.790 291 c CB 1.143 43.827 42.510 0.290 0.000 2.560 291 c HN 0.889 nan 8.230 nan 0.000 0.452 292 R N 1.124 121.671 120.500 0.077 0.000 2.439 292 R HA 0.405 4.745 4.340 -0.000 0.000 0.310 292 R C -1.875 174.483 176.300 0.097 0.000 0.955 292 R CA -0.042 56.097 56.100 0.066 0.000 0.853 292 R CB 0.979 31.323 30.300 0.072 0.000 1.171 292 R HN 0.824 nan 8.270 nan 0.000 0.449 293 D N 2.904 123.364 120.400 0.100 0.000 2.317 293 D HA 0.091 4.731 4.640 -0.000 0.000 0.234 293 D C -0.349 176.078 176.300 0.212 0.000 1.112 293 D CA -0.117 54.011 54.000 0.212 0.000 0.840 293 D CB 1.156 42.053 40.800 0.162 0.000 1.078 293 D HN 0.699 nan 8.370 nan 0.000 0.486 294 N N 3.233 122.120 118.700 0.311 0.000 2.299 294 N HA -0.031 4.709 4.740 -0.000 0.000 0.187 294 N C 0.751 176.194 175.510 -0.112 0.000 1.099 294 N CA -0.336 52.770 53.050 0.093 0.000 0.867 294 N CB 0.369 38.974 38.487 0.195 0.000 0.974 294 N HN 0.492 nan 8.380 nan 0.000 0.477 295 W N 2.823 123.829 121.300 -0.489 0.000 2.519 295 W HA 0.047 4.707 4.660 -0.000 0.000 0.313 295 W C 1.314 177.654 176.519 -0.298 0.000 1.156 295 W CA 1.477 58.546 57.345 -0.460 0.000 1.394 295 W CB 0.037 29.216 29.460 -0.469 0.000 1.154 295 W HN -0.001 nan 8.180 nan 0.000 0.498 296 R N -0.383 120.003 120.500 -0.190 0.000 2.493 296 R HA 0.258 4.598 4.340 -0.000 0.000 0.404 296 R C -0.362 175.738 176.300 -0.335 0.000 0.834 296 R CA 0.366 56.255 56.100 -0.350 0.000 1.056 296 R CB -0.778 29.163 30.300 -0.599 0.000 1.620 296 R HN 0.143 nan 8.270 nan 0.000 0.570 297 G N 0.097 108.767 108.800 -0.218 0.000 2.487 297 G HA2 0.430 4.390 3.960 -0.000 0.000 0.314 297 G HA3 0.430 4.390 3.960 -0.000 0.000 0.314 297 G C -0.045 174.744 174.900 -0.184 0.000 1.267 297 G CA -0.400 44.557 45.100 -0.238 0.000 0.937 297 G HN 0.060 nan 8.290 nan 0.000 0.481 298 S N 1.308 116.822 115.700 -0.310 0.000 2.501 298 S HA -0.001 4.469 4.470 -0.000 0.000 0.220 298 S C 1.240 175.686 174.600 -0.257 0.000 0.997 298 S CA -0.075 57.949 58.200 -0.294 0.000 0.919 298 S CB -0.107 62.816 63.200 -0.461 0.000 0.778 298 S HN 0.834 nan 8.310 nan 0.000 0.523 299 N N 1.671 120.206 118.700 -0.275 0.000 2.476 299 N HA 0.267 5.007 4.740 -0.000 0.000 0.276 299 N C -0.627 174.942 175.510 0.098 0.000 1.204 299 N CA -0.576 52.438 53.050 -0.059 0.000 0.974 299 N CB 0.694 39.145 38.487 -0.060 0.000 1.204 299 N HN 0.010 nan 8.380 nan 0.000 0.543 300 R N -0.198 120.381 120.500 0.132 0.000 2.474 300 R HA 0.473 4.813 4.340 -0.000 0.000 0.295 300 R C -2.202 174.070 176.300 -0.047 0.000 0.980 300 R CA -1.592 54.553 56.100 0.075 0.000 0.934 300 R CB 1.666 32.005 30.300 0.065 0.000 1.101 300 R HN 0.546 nan 8.270 nan 0.000 0.469 301 P HA 0.206 nan 4.420 nan 0.000 0.286 301 P C -0.930 176.318 177.300 -0.088 0.000 1.261 301 P CA -0.364 62.175 63.100 -0.933 0.000 0.821 301 P CB 0.994 31.757 31.700 -1.561 0.000 1.013 302 W N 3.527 124.867 121.300 0.067 0.000 3.032 302 W HA 0.803 5.463 4.660 -0.000 0.000 0.341 302 W C -2.184 174.561 176.519 0.376 0.000 1.202 302 W CA -1.317 56.212 57.345 0.306 0.000 1.132 302 W CB 1.148 30.800 29.460 0.320 0.000 1.465 302 W HN 0.308 nan 8.180 nan 0.000 0.576 303 I N 1.561 122.546 120.570 0.691 0.000 2.775 303 I HA 0.530 4.700 4.170 -0.000 0.000 0.295 303 I C -1.499 175.010 176.117 0.653 0.000 1.287 303 I CA -0.850 60.684 61.300 0.390 0.000 1.029 303 I CB 2.483 40.367 38.000 -0.193 0.000 1.282 303 I HN 0.663 nan 8.210 nan 0.000 0.426 304 R N 6.683 127.578 120.500 0.658 0.000 2.621 304 R HA 0.727 5.067 4.340 -0.000 0.000 0.292 304 R C -2.057 174.511 176.300 0.447 0.000 0.969 304 R CA -0.462 55.888 56.100 0.416 0.000 0.887 304 R CB 1.721 32.233 30.300 0.352 0.000 1.180 304 R HN 0.604 nan 8.270 nan 0.000 0.450 305 F N 0.344 120.297 119.950 0.004 0.000 2.645 305 F HA 0.526 5.053 4.527 -0.000 0.000 0.310 305 F C -0.550 175.185 175.800 -0.109 0.000 1.102 305 F CA -1.425 56.568 58.000 -0.010 0.000 0.952 305 F CB 0.932 39.937 39.000 0.009 0.000 1.326 305 F HN 0.266 nan 8.300 nan 0.000 0.456 309 D N 1.052 121.484 120.400 0.052 0.000 2.367 309 D HA 0.369 5.009 4.640 -0.000 0.000 0.207 309 D C 0.281 176.619 176.300 0.064 0.000 1.034 309 D CA 0.393 54.408 54.000 0.024 0.000 0.861 309 D CB 0.521 41.327 40.800 0.009 0.000 0.943 309 D HN 0.268 nan 8.370 nan 0.000 0.515 310 L N 0.950 122.254 121.223 0.136 0.000 4.456 310 L HA -0.159 4.181 4.340 -0.000 0.000 0.394 310 L C -0.742 176.243 176.870 0.192 0.000 1.078 310 L CA 0.202 55.154 54.840 0.187 0.000 1.085 310 L CB -1.587 40.540 42.059 0.113 0.000 2.131 310 L HN -0.036 nan 8.230 nan 0.000 0.635 311 D N 0.487 120.958 120.400 0.118 0.000 2.351 311 D HA 0.498 5.138 4.640 -0.000 0.000 0.251 311 D C 0.227 176.586 176.300 0.099 0.000 1.137 311 D CA 0.327 54.336 54.000 0.014 0.000 0.879 311 D CB 0.664 41.450 40.800 -0.024 0.000 1.181 311 D HN 0.391 nan 8.370 nan 0.000 0.448 312 Y N -1.037 119.280 120.300 0.028 0.000 2.665 312 Y HA 0.627 5.177 4.550 -0.000 0.000 0.336 312 Y C -0.746 175.172 175.900 0.030 0.000 1.085 312 Y CA -1.115 57.015 58.100 0.051 0.000 1.096 312 Y CB 1.357 39.794 38.460 -0.040 0.000 1.301 312 Y HN 0.150 nan 8.280 nan 0.000 0.493 313 Q N 2.121 122.098 119.800 0.295 0.000 2.345 313 Q HA 0.692 5.032 4.340 -0.000 0.000 0.275 313 Q C -1.180 174.815 176.000 -0.007 0.000 1.063 313 Q CA -0.955 54.952 55.803 0.173 0.000 0.819 313 Q CB 3.490 32.403 28.738 0.292 0.000 1.356 313 Q HN 0.855 nan 8.270 nan 0.000 0.418 314 I N -2.600 117.769 120.570 -0.336 0.000 3.322 314 I HA 1.012 5.182 4.170 -0.000 0.000 0.313 314 I C -0.150 175.381 176.117 -0.977 0.000 1.129 314 I CA -0.993 59.828 61.300 -0.799 0.000 0.963 314 I CB 2.448 40.046 38.000 -0.671 0.000 1.273 314 I HN 0.711 nan 8.210 nan 0.000 0.473 315 G N 0.362 108.636 108.800 -0.876 0.000 2.356 315 G HA2 0.320 4.280 3.960 -0.000 0.000 0.300 315 G HA3 0.320 4.280 3.960 -0.000 0.000 0.300 315 G C -2.358 172.235 174.900 -0.511 0.000 1.331 315 G CA -0.798 44.111 45.100 -0.318 0.000 0.905 315 G HN 0.649 nan 8.290 nan 0.000 0.587 316 Y N -0.963 119.242 120.300 -0.158 0.000 2.534 316 Y HA 0.570 5.120 4.550 -0.000 0.000 0.329 316 Y C 0.953 176.916 175.900 0.106 0.000 1.154 316 Y CA -0.798 57.268 58.100 -0.056 0.000 1.192 316 Y CB 1.905 40.259 38.460 -0.176 0.000 1.275 316 Y HN 0.355 nan 8.280 nan 0.000 0.491 317 V N 2.153 122.188 119.914 0.202 0.000 2.421 317 V HA -0.093 4.027 4.120 -0.000 0.000 0.271 317 V C 0.893 176.964 176.094 -0.040 0.000 1.031 317 V CA -0.313 61.939 62.300 -0.079 0.000 1.032 317 V CB -0.329 31.480 31.823 -0.024 0.000 1.009 317 V HN 1.071 nan 8.190 nan 0.000 0.477 318 c N 3.120 121.637 118.600 -0.139 0.000 2.336 318 c HA -0.187 4.383 4.570 -0.000 0.000 0.272 318 c C 2.233 176.314 174.090 -0.015 0.000 1.160 318 c CA 1.632 57.924 56.329 -0.061 0.000 1.783 318 c CB -0.596 41.859 42.510 -0.091 0.000 2.050 318 c HN 0.991 nan 8.230 nan 0.000 0.443 319 S N 0.088 115.767 115.700 -0.035 0.000 2.593 319 S HA 0.124 4.594 4.470 -0.000 0.000 0.303 319 S C 1.213 175.787 174.600 -0.043 0.000 1.267 319 S CA 0.558 58.728 58.200 -0.049 0.000 1.047 319 S CB 0.599 63.761 63.200 -0.064 0.000 0.777 319 S HN 0.645 nan 8.310 nan 0.000 0.498 320 G N 2.934 111.626 108.800 -0.180 0.000 2.712 320 G HA2 0.086 4.046 3.960 -0.000 0.000 0.212 320 G HA3 0.086 4.046 3.960 -0.000 0.000 0.212 320 G C 0.294 174.729 174.900 -0.775 0.000 1.142 320 G CA 0.060 44.886 45.100 -0.456 0.000 0.789 320 G HN 0.675 nan 8.290 nan 0.000 0.535 321 V N 3.024 122.706 119.914 -0.386 0.000 2.149 321 V HA 0.210 4.330 4.120 -0.000 0.000 0.245 321 V C 0.088 176.093 176.094 -0.150 0.000 1.349 321 V CA -0.738 61.378 62.300 -0.307 0.000 1.289 321 V CB -1.388 30.320 31.823 -0.193 0.000 1.401 321 V HN 0.219 nan 8.190 nan 0.000 0.501 322 F N 1.795 121.699 119.950 -0.076 0.000 2.629 322 F HA 0.192 4.719 4.527 -0.000 0.000 0.369 322 F C 1.540 177.290 175.800 -0.083 0.000 1.125 322 F CA 0.222 58.180 58.000 -0.069 0.000 1.330 322 F CB 0.605 39.568 39.000 -0.063 0.000 1.071 322 F HN 0.458 nan 8.300 nan 0.000 0.595 323 G N 1.409 110.281 108.800 0.121 0.000 3.651 323 G HA2 0.064 4.024 3.960 -0.000 0.000 0.279 323 G HA3 0.064 4.024 3.960 -0.000 0.000 0.279 323 G C -0.523 174.365 174.900 -0.021 0.000 1.024 323 G CA -0.108 44.984 45.100 -0.013 0.000 0.813 323 G HN 0.544 nan 8.290 nan 0.000 0.518 324 D N 0.185 120.598 120.400 0.023 0.000 2.569 324 D HA 0.391 5.031 4.640 -0.000 0.000 0.266 324 D C -0.814 175.510 176.300 0.040 0.000 1.164 324 D CA -0.749 53.264 54.000 0.021 0.000 1.071 324 D CB 1.413 42.222 40.800 0.016 0.000 1.183 324 D HN -0.030 nan 8.370 nan 0.000 0.613 325 N N 0.309 119.047 118.700 0.062 0.000 2.537 325 N HA 0.222 4.962 4.740 -0.000 0.000 0.281 325 N C -2.991 172.587 175.510 0.112 0.000 1.097 325 N CA -1.100 52.001 53.050 0.086 0.000 0.964 325 N CB 2.475 41.026 38.487 0.106 0.000 1.588 325 N HN 0.120 nan 8.380 nan 0.000 0.511 326 P HA 0.246 nan 4.420 nan 0.000 0.272 326 P C -0.863 176.469 177.300 0.054 0.000 1.254 326 P CA 0.068 63.222 63.100 0.091 0.000 0.795 326 P CB 0.971 32.735 31.700 0.107 0.000 1.022 327 R N -2.426 118.102 120.500 0.047 0.000 2.739 327 R HA 0.508 4.848 4.340 -0.000 0.000 0.266 327 R C -3.135 173.207 176.300 0.069 0.000 1.044 327 R CA -1.701 54.418 56.100 0.032 0.000 0.885 327 R CB 0.587 30.938 30.300 0.085 0.000 1.260 327 R HN 0.181 nan 8.270 nan 0.000 0.477 328 P HA 0.166 nan 4.420 nan 0.000 0.293 328 P C -0.267 177.145 177.300 0.186 0.000 1.304 328 P CA -0.782 62.385 63.100 0.112 0.000 0.767 328 P CB 0.612 32.366 31.700 0.090 0.000 1.247 329 M N -1.167 118.501 119.600 0.114 0.000 2.207 329 M HA 0.209 4.689 4.480 -0.000 0.000 0.311 329 M C -0.032 176.279 176.300 0.018 0.000 1.127 329 M CA 0.236 55.567 55.300 0.051 0.000 1.181 329 M CB -0.179 32.426 32.600 0.009 0.000 1.409 329 M HN 0.101 nan 8.290 nan 0.000 0.461 336 S N -1.665 114.043 115.700 0.012 0.000 2.677 336 S HA 0.449 4.919 4.470 -0.000 0.000 0.283 336 S C 0.611 175.187 174.600 -0.041 0.000 1.159 336 S CA -0.140 58.019 58.200 -0.068 0.000 1.001 336 S CB 0.756 63.845 63.200 -0.184 0.000 1.032 336 S HN 1.023 nan 8.310 nan 0.000 0.487 337 c N 3.763 122.357 118.600 -0.011 0.000 2.539 337 c HA 0.151 4.721 4.570 -0.000 0.000 0.268 337 c C 1.663 175.813 174.090 0.099 0.000 1.395 337 c CA 0.462 56.819 56.329 0.047 0.000 1.757 337 c CB -1.976 40.561 42.510 0.046 0.000 1.851 337 c HN 0.947 nan 8.230 nan 0.000 0.545 338 N N -0.070 118.641 118.700 0.017 0.000 2.143 338 N HA 0.074 4.814 4.740 -0.000 0.000 0.229 338 N C -0.211 175.178 175.510 -0.201 0.000 1.294 338 N CA 0.248 53.323 53.050 0.041 0.000 0.883 338 N CB 0.101 38.628 38.487 0.066 0.000 1.148 338 N HN 0.432 nan 8.380 nan 0.000 0.511 339 S N -1.179 114.235 115.700 -0.478 0.000 2.579 339 S HA 0.630 5.100 4.470 -0.000 0.000 0.272 339 S C -3.340 170.423 174.600 -1.395 0.000 1.141 339 S CA -1.267 56.402 58.200 -0.886 0.000 0.843 339 S CB 2.356 65.242 63.200 -0.523 0.000 1.122 339 S HN -0.011 nan 8.310 nan 0.000 0.468 340 P HA 0.407 nan 4.420 nan 0.000 0.281 340 P C -0.842 176.030 177.300 -0.714 0.000 1.252 340 P CA -0.273 62.103 63.100 -1.206 0.000 0.778 340 P CB 0.552 31.735 31.700 -0.861 0.000 0.895 341 I N 3.371 123.577 120.570 -0.606 0.000 2.664 341 I HA 0.267 4.437 4.170 -0.000 0.000 0.308 341 I C 0.417 176.252 176.117 -0.469 0.000 0.984 341 I CA -0.331 60.667 61.300 -0.504 0.000 1.213 341 I CB 0.682 38.335 38.000 -0.579 0.000 1.379 341 I HN 0.408 nan 8.210 nan 0.000 0.501 342 N N 3.556 122.140 118.700 -0.193 0.000 4.089 342 N HA -0.089 4.651 4.740 -0.000 0.000 0.261 342 N C 0.329 175.781 175.510 -0.097 0.000 1.118 342 N CA 0.719 53.692 53.050 -0.128 0.000 0.747 342 N CB -1.174 37.248 38.487 -0.108 0.000 1.361 342 N HN 1.033 nan 8.380 nan 0.000 0.605 343 G N 0.060 108.799 108.800 -0.102 0.000 2.270 343 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.268 343 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.268 343 G C 0.822 175.689 174.900 -0.055 0.000 0.982 343 G CA 1.224 46.282 45.100 -0.071 0.000 0.628 343 G HN 0.491 nan 8.290 nan 0.000 0.544 344 K N 0.001 120.360 120.400 -0.069 0.000 2.402 344 K HA 0.290 4.610 4.320 -0.000 0.000 0.204 344 K C 2.238 178.795 176.600 -0.073 0.000 1.056 344 K CA 0.443 56.708 56.287 -0.037 0.000 1.069 344 K CB 0.550 33.042 32.500 -0.014 0.000 0.888 344 K HN 0.257 nan 8.250 nan 0.000 0.546 345 G N 1.478 110.191 108.800 -0.144 0.000 2.679 345 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.212 345 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.212 345 G C 1.268 176.071 174.900 -0.161 0.000 1.137 345 G CA 0.230 45.222 45.100 -0.180 0.000 0.787 345 G HN 0.074 nan 8.290 nan 0.000 0.534 346 R N 0.555 120.948 120.500 -0.179 0.000 2.162 346 R HA -0.054 4.286 4.340 -0.000 0.000 0.153 346 R C 1.180 177.320 176.300 -0.267 0.000 0.733 346 R CA 0.793 56.702 56.100 -0.319 0.000 1.357 346 R CB -1.268 28.690 30.300 -0.571 0.000 0.576 346 R HN 0.350 nan 8.270 nan 0.000 0.609 347 Y N -1.535 118.777 120.300 0.020 0.000 2.676 347 Y HA 0.273 4.823 4.550 -0.000 0.000 0.488 347 Y C 1.406 177.337 175.900 0.051 0.000 1.324 347 Y CA 0.778 58.904 58.100 0.043 0.000 2.129 347 Y CB -0.758 37.732 38.460 0.051 0.000 1.768 347 Y HN 0.579 nan 8.280 nan 0.000 0.708 348 G N -1.750 107.215 108.800 0.276 0.000 2.335 348 G HA2 0.412 4.372 3.960 -0.000 0.000 0.291 348 G HA3 0.412 4.372 3.960 -0.000 0.000 0.291 348 G C -2.123 172.872 174.900 0.158 0.000 1.261 348 G CA -0.088 45.114 45.100 0.169 0.000 0.871 348 G HN 0.738 nan 8.290 nan 0.000 0.491 349 V N -0.323 119.647 119.914 0.093 0.000 3.077 349 V HA 0.691 4.811 4.120 -0.000 0.000 0.299 349 V C -0.578 175.433 176.094 -0.138 0.000 1.276 349 V CA -0.788 61.532 62.300 0.033 0.000 0.993 349 V CB 1.973 33.864 31.823 0.113 0.000 1.076 349 V HN 1.081 nan 8.190 nan 0.000 0.434 350 K N 3.057 123.136 120.400 -0.535 0.000 2.401 350 K HA 0.602 4.922 4.320 -0.000 0.000 0.278 350 K C -0.016 176.463 176.600 -0.203 0.000 1.018 350 K CA 0.910 56.912 56.287 -0.475 0.000 0.981 350 K CB 0.715 32.664 32.500 -0.919 0.000 0.933 350 K HN 1.078 nan 8.250 nan 0.000 0.477 351 G N 2.542 111.303 108.800 -0.065 0.000 2.687 351 G HA2 0.630 4.590 3.960 -0.000 0.000 0.291 351 G HA3 0.630 4.590 3.960 -0.000 0.000 0.291 351 G C -1.684 173.254 174.900 0.065 0.000 1.420 351 G CA -0.936 44.165 45.100 0.001 0.000 0.796 351 G HN 0.624 nan 8.290 nan 0.000 0.485 352 F N -1.541 118.339 119.950 -0.118 0.000 2.664 352 F HA 0.913 5.440 4.527 -0.000 0.000 0.317 352 F C -0.512 175.161 175.800 -0.211 0.000 1.108 352 F CA -1.401 56.494 58.000 -0.175 0.000 0.957 352 F CB 1.793 40.595 39.000 -0.330 0.000 1.365 352 F HN 0.569 nan 8.300 nan 0.000 0.475 353 S N 0.214 115.794 115.700 -0.199 0.000 2.547 353 S HA 0.655 5.125 4.470 -0.000 0.000 0.270 353 S C -1.880 172.691 174.600 -0.050 0.000 1.150 353 S CA -0.691 57.412 58.200 -0.162 0.000 0.850 353 S CB 1.501 64.751 63.200 0.085 0.000 1.118 353 S HN 0.581 nan 8.310 nan 0.000 0.461 354 F N 1.851 122.014 119.950 0.355 0.000 2.445 354 F HA 0.473 5.000 4.527 -0.000 0.000 0.348 354 F C 0.513 176.490 175.800 0.295 0.000 1.125 354 F CA -0.831 57.286 58.000 0.196 0.000 0.983 354 F CB 1.242 40.447 39.000 0.341 0.000 1.198 354 F HN 0.330 nan 8.300 nan 0.000 0.436 355 R N 2.784 123.402 120.500 0.196 0.000 2.539 355 R HA 0.257 4.597 4.340 -0.000 0.000 0.275 355 R C -1.680 174.561 176.300 -0.098 0.000 1.077 355 R CA -0.015 56.000 56.100 -0.141 0.000 1.097 355 R CB 0.575 30.266 30.300 -1.015 0.000 1.018 355 R HN 0.697 nan 8.270 nan 0.000 0.483 356 Y N 3.408 123.751 120.300 0.070 0.000 2.516 356 Y HA 0.221 4.771 4.550 -0.000 0.000 0.329 356 Y C 0.724 176.682 175.900 0.097 0.000 1.095 356 Y CA 0.511 58.698 58.100 0.145 0.000 1.213 356 Y CB 1.452 40.127 38.460 0.360 0.000 1.109 356 Y HN 1.113 nan 8.280 nan 0.000 0.630 357 G N 1.032 109.850 108.800 0.031 0.000 2.543 357 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.286 357 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.286 357 G C 0.738 175.666 174.900 0.046 0.000 1.153 357 G CA 0.634 45.754 45.100 0.033 0.000 0.968 357 G HN 0.406 nan 8.290 nan 0.000 0.544 358 D N 2.160 122.625 120.400 0.108 0.000 2.347 358 D HA 0.233 4.873 4.640 -0.000 0.000 0.213 358 D C 1.545 177.916 176.300 0.117 0.000 0.985 358 D CA 1.157 55.236 54.000 0.131 0.000 0.879 358 D CB -0.233 40.616 40.800 0.082 0.000 0.919 358 D HN 0.662 nan 8.370 nan 0.000 0.526 359 G N 0.083 108.947 108.800 0.106 0.000 2.547 359 G HA2 0.494 4.454 3.960 -0.000 0.000 0.291 359 G HA3 0.494 4.454 3.960 -0.000 0.000 0.291 359 G C -0.498 174.490 174.900 0.146 0.000 1.211 359 G CA -0.220 44.838 45.100 -0.071 0.000 0.950 359 G HN -0.002 nan 8.290 nan 0.000 0.504 360 V N -0.953 118.960 119.914 -0.003 0.000 3.000 360 V HA 0.369 4.489 4.120 -0.000 0.000 0.300 360 V C -1.679 174.632 176.094 0.362 0.000 1.251 360 V CA -0.790 61.720 62.300 0.350 0.000 0.972 360 V CB 2.228 34.261 31.823 0.352 0.000 1.065 360 V HN 0.833 nan 8.190 nan 0.000 0.431 361 W N 4.046 125.692 121.300 0.577 0.000 2.376 361 W HA 0.772 5.432 4.660 -0.000 0.000 0.312 361 W C -0.371 176.249 176.519 0.168 0.000 1.060 361 W CA -0.258 57.404 57.345 0.529 0.000 1.221 361 W CB 1.539 31.461 29.460 0.770 0.000 1.281 361 W HN 0.375 nan 8.180 nan 0.000 0.456 362 I N 4.376 125.089 120.570 0.238 0.000 2.362 362 I HA 0.469 4.639 4.170 -0.000 0.000 0.289 362 I C 0.727 176.659 176.117 -0.309 0.000 0.994 362 I CA -0.735 60.506 61.300 -0.098 0.000 1.158 362 I CB 1.100 39.044 38.000 -0.094 0.000 1.315 362 I HN 0.460 nan 8.210 nan 0.000 0.451 363 G N 6.120 114.473 108.800 -0.744 0.000 2.343 363 G HA2 0.789 4.749 3.960 -0.000 0.000 0.319 363 G HA3 0.789 4.749 3.960 -0.000 0.000 0.319 363 G C -0.600 173.740 174.900 -0.934 0.000 1.126 363 G CA -0.499 44.038 45.100 -0.937 0.000 0.889 363 G HN 0.794 nan 8.290 nan 0.000 0.457 364 R N -0.219 119.555 120.500 -1.211 0.000 2.733 364 R HA 0.667 5.007 4.340 -0.000 0.000 0.272 364 R C -0.126 175.727 176.300 -0.746 0.000 1.029 364 R CA -0.820 54.824 56.100 -0.759 0.000 0.888 364 R CB 0.345 30.426 30.300 -0.366 0.000 1.251 364 R HN 0.581 nan 8.270 nan 0.000 0.464 365 T N -0.972 113.444 114.554 -0.229 0.000 2.766 365 T HA 0.230 4.580 4.350 -0.000 0.000 0.295 365 T C 0.610 175.273 174.700 -0.062 0.000 1.024 365 T CA -0.614 61.474 62.100 -0.019 0.000 1.018 365 T CB 0.853 69.790 68.868 0.115 0.000 1.002 365 T HN 0.552 nan 8.240 nan 0.000 0.532 366 K N 0.409 120.812 120.400 0.005 0.000 2.099 366 K HA 0.115 4.435 4.320 -0.000 0.000 0.203 366 K C 1.576 178.178 176.600 0.004 0.000 1.047 366 K CA 0.510 56.792 56.287 -0.008 0.000 0.963 366 K CB -0.541 31.965 32.500 0.009 0.000 0.759 366 K HN 0.692 nan 8.250 nan 0.000 0.451 367 S N 0.769 116.485 115.700 0.027 0.000 2.579 367 S HA 0.047 4.517 4.470 -0.000 0.000 0.275 367 S C 1.018 175.645 174.600 0.046 0.000 1.345 367 S CA -0.351 57.870 58.200 0.036 0.000 1.031 367 S CB 0.550 63.784 63.200 0.057 0.000 0.892 367 S HN 0.060 nan 8.310 nan 0.000 0.529 368 L N 2.920 124.170 121.223 0.045 0.000 2.567 368 L HA 0.383 4.723 4.340 -0.000 0.000 0.225 368 L C 1.793 178.703 176.870 0.067 0.000 1.119 368 L CA 1.114 55.985 54.840 0.053 0.000 0.871 368 L CB -0.298 41.789 42.059 0.046 0.000 1.036 368 L HN 0.789 nan 8.230 nan 0.000 0.459 369 E N -2.713 117.533 120.200 0.076 0.000 2.603 369 E HA 0.255 4.605 4.350 -0.000 0.000 0.224 369 E C 0.146 176.814 176.600 0.112 0.000 0.896 369 E CA 0.030 56.483 56.400 0.087 0.000 1.224 369 E CB 0.993 30.736 29.700 0.073 0.000 1.206 369 E HN 0.128 nan 8.360 nan 0.000 0.576 370 S N 0.476 116.260 115.700 0.140 0.000 2.638 370 S HA 0.428 4.898 4.470 -0.000 0.000 0.302 370 S C -0.058 174.694 174.600 0.253 0.000 1.096 370 S CA -0.742 57.587 58.200 0.215 0.000 0.953 370 S CB 1.606 64.982 63.200 0.294 0.000 1.107 370 S HN 0.043 nan 8.310 nan 0.000 0.503 371 R N 2.067 122.766 120.500 0.332 0.000 3.701 371 R HA 0.270 4.610 4.340 -0.000 0.000 0.210 371 R C -0.353 176.238 176.300 0.486 0.000 1.598 371 R CA -0.178 56.131 56.100 0.348 0.000 1.427 371 R CB -0.273 30.204 30.300 0.295 0.000 1.339 371 R HN 0.581 nan 8.270 nan 0.000 0.720 372 S N -0.731 115.169 115.700 0.334 0.000 2.549 372 S HA 0.780 5.250 4.470 -0.000 0.000 0.280 372 S C 0.140 174.827 174.600 0.145 0.000 1.109 372 S CA -0.368 57.953 58.200 0.201 0.000 0.905 372 S CB 2.342 65.482 63.200 -0.100 0.000 1.081 372 S HN 0.616 nan 8.310 nan 0.000 0.477 373 G N 0.578 109.458 108.800 0.134 0.000 2.881 373 G HA2 0.129 4.089 3.960 -0.000 0.000 0.681 373 G HA3 0.129 4.089 3.960 -0.000 0.000 0.681 373 G C -1.032 174.039 174.900 0.285 0.000 1.567 373 G CA -0.170 45.022 45.100 0.154 0.000 1.013 373 G HN 1.594 nan 8.290 nan 0.000 0.580 374 F N 0.911 120.920 119.950 0.098 0.000 2.665 374 F HA 0.645 5.172 4.527 -0.000 0.000 0.308 374 F C -0.385 175.463 175.800 0.079 0.000 1.112 374 F CA -0.032 58.026 58.000 0.096 0.000 0.972 374 F CB 1.832 40.926 39.000 0.156 0.000 1.295 374 F HN 1.037 nan 8.300 nan 0.000 0.440 375 E N 4.744 124.716 120.200 -0.380 0.000 2.412 375 E HA 0.515 4.865 4.350 -0.000 0.000 0.279 375 E C -1.939 174.483 176.600 -0.297 0.000 0.984 375 E CA -1.220 55.092 56.400 -0.148 0.000 0.788 375 E CB 2.334 31.990 29.700 -0.073 0.000 1.277 375 E HN 0.364 nan 8.360 nan 0.000 0.455 376 M N 2.034 121.619 119.600 -0.025 0.000 2.167 376 M HA 0.390 4.870 4.480 -0.000 0.000 0.333 376 M C -1.005 175.508 176.300 0.354 0.000 1.030 376 M CA -0.980 54.365 55.300 0.076 0.000 0.963 376 M CB 1.371 33.996 32.600 0.042 0.000 1.589 376 M HN 0.485 nan 8.290 nan 0.000 0.431 377 V N 3.394 123.465 119.914 0.262 0.000 2.459 377 V HA 0.420 4.540 4.120 -0.000 0.000 0.295 377 V C -0.772 175.330 176.094 0.013 0.000 1.029 377 V CA -0.849 61.529 62.300 0.130 0.000 0.874 377 V CB 2.287 34.092 31.823 -0.029 0.000 0.985 377 V HN 0.913 nan 8.190 nan 0.000 0.438 378 W N 5.539 126.501 121.300 -0.563 0.000 2.291 378 W HA 0.475 5.135 4.660 -0.000 0.000 0.312 378 W C -1.114 175.126 176.519 -0.464 0.000 1.061 378 W CA -0.442 56.306 57.345 -0.996 0.000 1.296 378 W CB 1.452 30.042 29.460 -1.449 0.000 1.223 378 W HN 0.640 nan 8.180 nan 0.000 0.421 379 D N 4.891 124.705 120.400 -0.977 0.000 2.464 379 D HA 0.330 4.970 4.640 -0.000 0.000 0.243 379 D C 1.150 176.811 176.300 -1.064 0.000 1.104 379 D CA -0.050 53.473 54.000 -0.795 0.000 0.883 379 D CB 1.497 42.055 40.800 -0.404 0.000 1.050 379 D HN 0.450 nan 8.370 nan 0.000 0.524 380 A N 4.060 126.175 122.820 -1.175 0.000 2.042 380 A HA -0.256 4.064 4.320 -0.000 0.000 0.222 380 A C 1.567 178.910 177.584 -0.403 0.000 1.167 380 A CA 1.483 53.019 52.037 -0.836 0.000 0.649 380 A CB -0.148 18.606 19.000 -0.410 0.000 0.809 380 A HN 0.564 nan 8.150 nan 0.000 0.457 381 N N -1.164 117.353 118.700 -0.305 0.000 2.294 381 N HA 0.086 4.826 4.740 -0.000 0.000 0.186 381 N C 1.730 177.190 175.510 -0.082 0.000 1.107 381 N CA 0.850 53.818 53.050 -0.137 0.000 0.884 381 N CB -0.680 37.741 38.487 -0.111 0.000 1.030 381 N HN 0.377 nan 8.380 nan 0.000 0.482 382 G N 1.225 109.935 108.800 -0.151 0.000 2.942 382 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.244 382 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.244 382 G C 1.118 176.052 174.900 0.057 0.000 1.096 382 G CA 1.067 46.134 45.100 -0.055 0.000 0.731 382 G HN 0.431 nan 8.290 nan 0.000 0.653 383 W N -0.005 121.258 121.300 -0.063 0.000 2.518 383 W HA 0.118 4.778 4.660 -0.000 0.000 0.273 383 W C 2.130 178.651 176.519 0.004 0.000 1.247 383 W CA 1.393 58.720 57.345 -0.030 0.000 1.288 383 W CB 0.224 29.653 29.460 -0.052 0.000 1.107 383 W HN 0.171 nan 8.180 nan 0.000 0.586 384 V N -0.955 119.036 119.914 0.130 0.000 3.212 384 V HA -0.010 4.110 4.120 -0.000 0.000 0.244 384 V C 1.069 177.176 176.094 0.021 0.000 1.151 384 V CA 0.640 62.988 62.300 0.080 0.000 1.119 384 V CB 0.333 32.218 31.823 0.104 0.000 0.838 384 V HN -0.104 nan 8.190 nan 0.000 0.470 385 S N 0.410 116.107 115.700 -0.005 0.000 2.738 385 S HA 0.309 4.779 4.470 -0.000 0.000 0.284 385 S C 0.953 175.528 174.600 -0.041 0.000 1.146 385 S CA 0.365 58.549 58.200 -0.027 0.000 0.997 385 S CB 1.600 64.773 63.200 -0.046 0.000 1.081 385 S HN 0.511 nan 8.310 nan 0.000 0.553 386 T N -0.548 113.978 114.554 -0.046 0.000 3.200 386 T HA 0.269 4.619 4.350 -0.000 0.000 0.284 386 T C -0.255 174.396 174.700 -0.081 0.000 1.009 386 T CA -0.413 61.657 62.100 -0.050 0.000 0.907 386 T CB -1.028 67.823 68.868 -0.029 0.000 1.120 386 T HN 0.715 nan 8.240 nan 0.000 0.534 387 D N 1.784 122.127 120.400 -0.095 0.000 2.390 387 D HA 0.078 4.718 4.640 -0.000 0.000 0.236 387 D C 1.045 177.247 176.300 -0.163 0.000 1.189 387 D CA -0.597 53.332 54.000 -0.117 0.000 0.887 387 D CB 0.832 41.561 40.800 -0.117 0.000 1.198 387 D HN 0.395 nan 8.370 nan 0.000 0.444 388 K N -0.116 120.179 120.400 -0.176 0.000 2.373 388 K HA 0.078 4.398 4.320 -0.000 0.000 0.202 388 K C -0.875 175.615 176.600 -0.184 0.000 1.025 388 K CA -0.396 55.754 56.287 -0.230 0.000 1.115 388 K CB 0.128 32.487 32.500 -0.235 0.000 0.858 388 K HN 0.401 nan 8.250 nan 0.000 0.525 389 D N 2.531 122.837 120.400 -0.157 0.000 2.233 389 D HA 0.103 4.743 4.640 -0.000 0.000 0.240 389 D C -0.064 176.133 176.300 -0.172 0.000 1.074 389 D CA -0.236 53.678 54.000 -0.143 0.000 0.838 389 D CB 1.913 42.644 40.800 -0.116 0.000 1.124 389 D HN 0.256 nan 8.370 nan 0.000 0.475 390 S N 1.621 117.219 115.700 -0.170 0.000 2.776 390 S HA 0.457 4.927 4.470 -0.000 0.000 0.306 390 S C 0.182 174.667 174.600 -0.192 0.000 1.114 390 S CA -0.891 57.178 58.200 -0.218 0.000 0.973 390 S CB 1.584 64.673 63.200 -0.185 0.000 1.250 390 S HN 0.433 nan 8.310 nan 0.000 0.549 391 N N 0.328 118.897 118.700 -0.218 0.000 2.588 391 N HA 0.426 5.166 4.740 -0.000 0.000 0.298 391 N C -0.015 175.518 175.510 0.039 0.000 1.718 391 N CA -0.004 52.986 53.050 -0.099 0.000 0.888 391 N CB 1.123 39.528 38.487 -0.136 0.000 1.389 391 N HN 1.040 nan 8.380 nan 0.000 0.491 395 Q N 2.973 122.960 119.800 0.313 0.000 2.325 395 Q HA 0.455 4.795 4.340 -0.000 0.000 0.262 395 Q C -1.065 175.087 176.000 0.253 0.000 0.968 395 Q CA -0.693 55.298 55.803 0.314 0.000 0.877 395 Q CB 1.551 30.545 28.738 0.428 0.000 1.253 395 Q HN 0.750 nan 8.270 nan 0.000 0.448 396 D N 4.734 125.278 120.400 0.239 0.000 2.304 396 D HA 0.115 4.755 4.640 -0.000 0.000 0.250 396 D C 0.623 177.121 176.300 0.330 0.000 1.107 396 D CA -0.041 54.096 54.000 0.230 0.000 0.885 396 D CB 1.320 42.232 40.800 0.187 0.000 1.192 396 D HN 0.530 nan 8.370 nan 0.000 0.436 397 I N 0.938 121.716 120.570 0.347 0.000 3.570 397 I HA 0.201 4.371 4.170 -0.000 0.000 0.270 397 I C 0.831 177.248 176.117 0.500 0.000 1.162 397 I CA 0.458 62.044 61.300 0.476 0.000 1.413 397 I CB 0.063 38.320 38.000 0.428 0.000 1.437 397 I HN 0.240 nan 8.210 nan 0.000 0.457 398 I N 1.889 122.680 120.570 0.369 0.000 2.534 398 I HA 0.153 4.323 4.170 -0.000 0.000 0.288 398 I C -0.886 175.324 176.117 0.154 0.000 1.077 398 I CA -0.899 60.554 61.300 0.255 0.000 1.051 398 I CB 2.205 40.380 38.000 0.291 0.000 1.234 398 I HN 0.093 nan 8.210 nan 0.000 0.425 399 D N 3.622 124.055 120.400 0.054 0.000 2.377 399 D HA 0.020 4.660 4.640 -0.000 0.000 0.245 399 D C 0.559 176.853 176.300 -0.010 0.000 1.196 399 D CA -0.299 53.711 54.000 0.017 0.000 0.962 399 D CB 0.701 41.485 40.800 -0.026 0.000 1.127 399 D HN 0.566 nan 8.370 nan 0.000 0.471 400 N N -0.717 117.964 118.700 -0.031 0.000 2.453 400 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 400 N C 0.315 175.726 175.510 -0.166 0.000 1.041 400 N CA 0.311 53.317 53.050 -0.074 0.000 0.900 400 N CB 0.061 38.515 38.487 -0.055 0.000 0.961 400 N HN 0.379 nan 8.380 nan 0.000 0.443 401 D N 0.068 120.376 120.400 -0.154 0.000 2.378 401 D HA 0.010 4.650 4.640 -0.000 0.000 0.227 401 D C -0.134 175.979 176.300 -0.311 0.000 1.012 401 D CA 0.691 54.565 54.000 -0.210 0.000 0.905 401 D CB 0.092 40.810 40.800 -0.136 0.000 0.895 401 D HN 0.287 nan 8.370 nan 0.000 0.532 402 N N -0.389 118.145 118.700 -0.277 0.000 2.328 402 N HA 0.190 4.930 4.740 -0.000 0.000 0.299 402 N C -0.705 174.646 175.510 -0.265 0.000 1.179 402 N CA -0.532 52.354 53.050 -0.274 0.000 0.793 402 N CB 1.332 39.778 38.487 -0.069 0.000 1.366 402 N HN -0.077 nan 8.380 nan 0.000 0.493 403 W N 0.923 122.270 121.300 0.077 0.000 2.316 403 W HA 0.304 4.964 4.660 -0.000 0.000 0.321 403 W C 1.100 177.699 176.519 0.133 0.000 1.203 403 W CA -0.314 57.087 57.345 0.093 0.000 1.214 403 W CB 0.794 30.293 29.460 0.066 0.000 1.169 403 W HN 0.461 nan 8.180 nan 0.000 0.561 404 S N 1.392 117.373 115.700 0.468 0.000 2.921 404 S HA 0.987 5.457 4.470 -0.000 0.000 0.315 404 S C -0.051 174.761 174.600 0.355 0.000 1.087 404 S CA -0.252 58.169 58.200 0.367 0.000 0.877 404 S CB 1.849 65.280 63.200 0.385 0.000 1.340 404 S HN 0.777 nan 8.310 nan 0.000 0.622 405 G N -0.701 108.306 108.800 0.344 0.000 2.725 405 G HA2 0.361 4.321 3.960 -0.000 0.000 0.098 405 G HA3 0.361 4.321 3.960 -0.000 0.000 0.098 405 G C -1.672 173.509 174.900 0.468 0.000 1.188 405 G CA -0.647 44.681 45.100 0.380 0.000 1.237 405 G HN 0.539 nan 8.290 nan 0.000 0.596 406 Y N 1.100 121.572 120.300 0.287 0.000 2.578 406 Y HA 0.591 5.141 4.550 -0.000 0.000 0.339 406 Y C 0.934 176.897 175.900 0.105 0.000 1.231 406 Y CA 0.125 58.404 58.100 0.298 0.000 1.461 406 Y CB 1.358 40.121 38.460 0.506 0.000 1.323 406 Y HN 0.402 nan 8.280 nan 0.000 0.590 407 S N 0.820 116.459 115.700 -0.101 0.000 2.549 407 S HA 0.892 5.362 4.470 -0.000 0.000 0.280 407 S C -0.473 173.708 174.600 -0.698 0.000 1.109 407 S CA -0.009 57.937 58.200 -0.424 0.000 0.905 407 S CB 1.424 64.695 63.200 0.119 0.000 1.081 407 S HN 1.033 nan 8.310 nan 0.000 0.477 408 G N 1.262 109.314 108.800 -1.246 0.000 2.660 408 G HA2 0.598 4.558 3.960 -0.000 0.000 0.290 408 G HA3 0.598 4.558 3.960 -0.000 0.000 0.290 408 G C -1.122 173.397 174.900 -0.635 0.000 1.432 408 G CA -0.321 44.310 45.100 -0.782 0.000 0.807 408 G HN 1.149 nan 8.290 nan 0.000 0.485 409 S N -0.966 114.663 115.700 -0.119 0.000 2.578 409 S HA 0.911 5.381 4.470 -0.000 0.000 0.301 409 S C -0.731 174.192 174.600 0.538 0.000 1.091 409 S CA -0.686 57.558 58.200 0.074 0.000 1.032 409 S CB 1.515 64.721 63.200 0.010 0.000 1.064 409 S HN 1.767 nan 8.310 nan 0.000 0.508 410 F N -1.295 118.847 119.950 0.319 0.000 2.693 410 F HA 0.870 5.397 4.527 -0.000 0.000 0.309 410 F C -0.509 175.441 175.800 0.249 0.000 1.129 410 F CA -0.875 57.318 58.000 0.321 0.000 0.948 410 F CB 0.809 40.037 39.000 0.380 0.000 1.315 410 F HN 0.646 nan 8.300 nan 0.000 0.447 411 S N -0.257 115.543 115.700 0.166 0.000 3.255 411 S HA 0.868 5.338 4.470 -0.000 0.000 0.305 411 S C -0.305 174.290 174.600 -0.008 0.000 1.067 411 S CA -0.205 57.969 58.200 -0.043 0.000 0.966 411 S CB 1.371 64.559 63.200 -0.020 0.000 1.366 411 S HN 1.127 nan 8.310 nan 0.000 0.717 412 T N 0.898 115.508 114.554 0.093 0.000 13.263 412 T HA -0.159 4.191 4.350 -0.000 0.000 0.404 412 T C 0.286 175.007 174.700 0.035 0.000 1.554 412 T CA 1.112 63.258 62.100 0.077 0.000 2.546 412 T CB -2.054 66.871 68.868 0.095 0.000 2.612 412 T HN 1.128 nan 8.240 nan 0.000 0.376 413 T N 1.284 115.848 114.554 0.015 0.000 2.832 413 T HA 0.529 4.879 4.350 -0.000 0.000 0.296 413 T C 1.501 176.196 174.700 -0.007 0.000 0.968 413 T CA 0.408 62.506 62.100 -0.003 0.000 1.107 413 T CB 1.512 70.366 68.868 -0.022 0.000 0.916 413 T HN 0.803 nan 8.240 nan 0.000 0.517 414 G N 2.720 111.515 108.800 -0.008 0.000 2.615 414 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.213 414 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.213 414 G C 0.834 175.724 174.900 -0.018 0.000 1.135 414 G CA -0.226 44.868 45.100 -0.010 0.000 0.772 414 G HN 0.728 nan 8.290 nan 0.000 0.542 415 R N 0.272 120.757 120.500 -0.025 0.000 2.774 415 R HA 0.044 4.384 4.340 -0.000 0.000 0.269 415 R C 0.925 177.206 176.300 -0.032 0.000 1.068 415 R CA 0.295 56.375 56.100 -0.033 0.000 1.180 415 R CB 0.251 30.523 30.300 -0.045 0.000 1.077 415 R HN 0.336 nan 8.270 nan 0.000 0.513 416 N N 0.022 118.702 118.700 -0.033 0.000 2.270 416 N HA -0.012 4.728 4.740 -0.000 0.000 0.198 416 N C 0.125 175.613 175.510 -0.038 0.000 1.117 416 N CA -0.261 52.771 53.050 -0.030 0.000 0.845 416 N CB -0.168 38.304 38.487 -0.025 0.000 0.980 416 N HN 0.503 nan 8.380 nan 0.000 0.486 417 c N -1.934 116.637 118.600 -0.048 0.000 3.213 417 c HA 0.750 5.320 4.570 -0.000 0.000 0.319 417 c C -0.009 174.034 174.090 -0.079 0.000 1.386 417 c CA -0.775 55.519 56.329 -0.059 0.000 1.494 417 c CB 1.113 43.589 42.510 -0.056 0.000 1.905 417 c HN 0.115 nan 8.230 nan 0.000 0.456 418 T N 1.362 115.859 114.554 -0.096 0.000 2.837 418 T HA 0.517 4.867 4.350 -0.000 0.000 0.285 418 T C -0.205 174.407 174.700 -0.147 0.000 0.984 418 T CA -0.166 61.861 62.100 -0.121 0.000 1.049 418 T CB 1.204 70.001 68.868 -0.118 0.000 0.947 418 T HN 0.642 nan 8.240 nan 0.000 0.472 419 V N 7.362 127.183 119.914 -0.156 0.000 2.385 419 V HA 0.297 4.417 4.120 -0.000 0.000 0.269 419 V C -1.826 174.116 176.094 -0.254 0.000 1.043 419 V CA -1.813 60.374 62.300 -0.189 0.000 0.906 419 V CB 0.875 32.607 31.823 -0.152 0.000 0.995 419 V HN 0.724 nan 8.190 nan 0.000 0.467 420 P HA 0.409 nan 4.420 nan 0.000 0.284 420 P C -0.882 176.262 177.300 -0.260 0.000 1.253 420 P CA -0.209 62.571 63.100 -0.533 0.000 0.800 420 P CB 1.397 32.465 31.700 -1.053 0.000 0.961 421 c N 2.872 121.284 118.600 -0.314 0.000 3.285 421 c HA 0.839 5.409 4.570 -0.000 0.000 0.320 421 c C -0.600 173.373 174.090 -0.195 0.000 1.411 421 c CA -0.407 55.710 56.329 -0.354 0.000 1.429 421 c CB 1.372 43.165 42.510 -1.196 0.000 1.812 421 c HN 0.719 nan 8.230 nan 0.000 0.454 422 F N -0.177 119.705 119.950 -0.114 0.000 2.665 422 F HA 0.783 5.310 4.527 -0.000 0.000 0.308 422 F C -1.261 174.729 175.800 0.316 0.000 1.112 422 F CA -1.253 56.665 58.000 -0.136 0.000 0.972 422 F CB 0.768 39.146 39.000 -1.036 0.000 1.295 422 F HN 0.860 nan 8.300 nan 0.000 0.440 423 W N 2.302 123.815 121.300 0.356 0.000 2.639 423 W HA 0.857 5.517 4.660 -0.000 0.000 0.347 423 W C -2.164 174.486 176.519 0.219 0.000 1.067 423 W CA -1.600 55.862 57.345 0.195 0.000 1.218 423 W CB 1.128 30.651 29.460 0.105 0.000 1.393 423 W HN 0.521 nan 8.180 nan 0.000 0.557 424 V N 2.069 122.239 119.914 0.426 0.000 2.483 424 V HA 0.159 4.279 4.120 -0.000 0.000 0.297 424 V C -0.094 176.250 176.094 0.417 0.000 1.027 424 V CA -0.779 61.645 62.300 0.208 0.000 0.855 424 V CB 1.457 33.226 31.823 -0.091 0.000 0.995 424 V HN 0.650 nan 8.190 nan 0.000 0.424 425 E N 5.155 125.667 120.200 0.520 0.000 2.283 425 E HA 0.496 4.846 4.350 -0.000 0.000 0.278 425 E C -0.887 175.899 176.600 0.311 0.000 1.027 425 E CA -0.557 56.119 56.400 0.461 0.000 0.843 425 E CB 1.012 31.063 29.700 0.585 0.000 1.062 425 E HN 0.666 nan 8.360 nan 0.000 0.401 426 M N 5.955 125.704 119.600 0.249 0.000 2.016 426 M HA 0.347 4.827 4.480 -0.000 0.000 0.315 426 M C -0.678 175.741 176.300 0.199 0.000 0.930 426 M CA -0.469 54.977 55.300 0.242 0.000 0.899 426 M CB 0.820 33.559 32.600 0.231 0.000 1.401 426 M HN 0.383 nan 8.290 nan 0.000 0.386 427 I N 3.693 124.367 120.570 0.173 0.000 2.556 427 I HA 0.218 4.388 4.170 -0.000 0.000 0.284 427 I C 0.356 176.447 176.117 -0.044 0.000 1.114 427 I CA -0.071 61.265 61.300 0.060 0.000 1.418 427 I CB 0.166 38.169 38.000 0.006 0.000 1.394 427 I HN 0.529 nan 8.210 nan 0.000 0.552 428 R N 4.196 124.655 120.500 -0.069 0.000 2.807 428 R HA 0.764 5.104 4.340 -0.000 0.000 0.276 428 R C 0.237 176.273 176.300 -0.439 0.000 0.979 428 R CA -0.331 55.649 56.100 -0.200 0.000 0.928 428 R CB 1.555 31.851 30.300 -0.006 0.000 1.191 428 R HN 0.918 nan 8.270 nan 0.000 0.471 429 G N 1.337 109.732 108.800 -0.675 0.000 2.513 429 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.227 429 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.227 429 G C -0.951 173.598 174.900 -0.586 0.000 1.176 429 G CA -0.667 43.898 45.100 -0.891 0.000 0.967 429 G HN 0.459 nan 8.290 nan 0.000 0.587 430 Q N 1.646 121.163 119.800 -0.472 0.000 2.354 430 Q HA 0.320 4.660 4.340 -0.000 0.000 0.244 430 Q C -1.297 174.537 176.000 -0.276 0.000 0.969 430 Q CA -0.749 54.864 55.803 -0.317 0.000 0.885 430 Q CB 1.699 30.303 28.738 -0.223 0.000 1.241 430 Q HN 0.487 nan 8.270 nan 0.000 0.461 431 P HA -0.046 nan 4.420 nan 0.000 0.235 431 P C 0.466 177.626 177.300 -0.234 0.000 1.177 431 P CA 0.592 63.570 63.100 -0.204 0.000 0.785 431 P CB 0.496 32.107 31.700 -0.149 0.000 0.885 432 K N 1.351 121.544 120.400 -0.345 0.000 1.965 432 K HA -0.071 4.249 4.320 -0.000 0.000 0.220 432 K C 1.231 177.687 176.600 -0.240 0.000 1.046 432 K CA 1.192 57.270 56.287 -0.348 0.000 0.974 432 K CB -1.001 31.006 32.500 -0.823 0.000 0.738 432 K HN 0.363 nan 8.250 nan 0.000 0.444 436 T N -2.579 111.781 114.554 -0.322 0.000 2.838 436 T HA 0.542 4.892 4.350 -0.000 0.000 0.292 436 T C 0.926 175.450 174.700 -0.293 0.000 1.113 436 T CA -1.093 60.763 62.100 -0.406 0.000 1.008 436 T CB 1.120 69.345 68.868 -1.072 0.000 1.259 436 T HN 0.356 nan 8.240 nan 0.000 0.520 437 I N -2.055 118.448 120.570 -0.112 0.000 3.793 437 I HA 0.418 4.588 4.170 -0.000 0.000 0.315 437 I C 0.289 176.463 176.117 0.094 0.000 1.275 437 I CA -0.798 60.516 61.300 0.023 0.000 1.214 437 I CB -0.123 37.950 38.000 0.122 0.000 1.018 437 I HN 0.595 nan 8.210 nan 0.000 0.439 438 W N 0.796 122.069 121.300 -0.045 0.000 3.021 438 W HA 0.740 5.400 4.660 -0.000 0.000 0.337 438 W C -1.283 175.189 176.519 -0.079 0.000 1.171 438 W CA -1.118 56.199 57.345 -0.046 0.000 1.060 438 W CB 0.635 30.074 29.460 -0.035 0.000 1.472 438 W HN -0.307 nan 8.180 nan 0.000 0.594 439 T N 1.515 116.250 114.554 0.302 0.000 3.237 439 T HA 0.383 4.733 4.350 -0.000 0.000 0.319 439 T C -1.085 173.791 174.700 0.293 0.000 1.037 439 T CA -0.237 61.935 62.100 0.120 0.000 1.048 439 T CB 1.821 70.680 68.868 -0.015 0.000 1.081 439 T HN 0.568 nan 8.240 nan 0.000 0.455 440 S N 1.528 117.433 115.700 0.342 0.000 2.720 440 S HA 0.954 5.424 4.470 -0.000 0.000 0.287 440 S C -0.516 174.172 174.600 0.147 0.000 1.168 440 S CA -0.339 58.001 58.200 0.233 0.000 0.832 440 S CB 1.702 65.030 63.200 0.213 0.000 1.166 440 S HN 1.014 nan 8.310 nan 0.000 0.493 441 G N 0.164 109.018 108.800 0.091 0.000 2.658 441 G HA2 0.692 4.652 3.960 -0.000 0.000 0.292 441 G HA3 0.692 4.652 3.960 -0.000 0.000 0.292 441 G C -1.172 173.763 174.900 0.058 0.000 1.320 441 G CA -0.365 44.786 45.100 0.086 0.000 0.933 441 G HN 0.807 nan 8.290 nan 0.000 0.476 442 S N -1.470 114.281 115.700 0.086 0.000 2.685 442 S HA 0.862 5.332 4.470 -0.000 0.000 0.282 442 S C -0.402 174.253 174.600 0.091 0.000 1.159 442 S CA 0.203 58.440 58.200 0.063 0.000 0.833 442 S CB 1.659 64.916 63.200 0.095 0.000 1.151 442 S HN 1.815 nan 8.310 nan 0.000 0.485 443 S N 0.931 116.672 115.700 0.068 0.000 2.607 443 S HA 0.835 5.305 4.470 -0.000 0.000 0.273 443 S C -1.086 173.561 174.600 0.078 0.000 1.148 443 S CA -0.814 57.449 58.200 0.105 0.000 0.833 443 S CB 1.044 64.290 63.200 0.076 0.000 1.130 443 S HN 1.248 nan 8.310 nan 0.000 0.470 444 I N -1.832 118.802 120.570 0.107 0.000 2.913 444 I HA 0.969 5.139 4.170 -0.000 0.000 0.302 444 I C -0.782 175.330 176.117 -0.008 0.000 1.246 444 I CA -1.403 59.895 61.300 -0.002 0.000 1.010 444 I CB 1.611 39.663 38.000 0.087 0.000 1.259 444 I HN 1.022 nan 8.210 nan 0.000 0.434 445 A N 3.354 126.012 122.820 -0.269 0.000 2.556 445 A HA 0.938 5.258 4.320 -0.000 0.000 0.294 445 A C -1.750 175.452 177.584 -0.637 0.000 1.091 445 A CA -0.457 51.470 52.037 -0.184 0.000 0.704 445 A CB 1.619 20.662 19.000 0.072 0.000 1.300 445 A HN 0.639 nan 8.150 nan 0.000 0.406 446 F N -0.729 118.918 119.950 -0.506 0.000 2.613 446 F HA 0.690 5.217 4.527 -0.000 0.000 0.314 446 F C 0.031 175.729 175.800 -0.171 0.000 1.075 446 F CA -0.597 57.167 58.000 -0.393 0.000 0.945 446 F CB 2.152 40.837 39.000 -0.526 0.000 1.310 446 F HN 0.681 nan 8.300 nan 0.000 0.467 447 c N 0.458 119.181 118.600 0.206 0.000 2.889 447 c HA 0.639 5.209 4.570 -0.000 0.000 0.307 447 c C 1.529 175.652 174.090 0.056 0.000 1.251 447 c CA -0.293 56.115 56.329 0.131 0.000 1.593 447 c CB 1.279 43.768 42.510 -0.035 0.000 2.104 447 c HN 1.092 nan 8.230 nan 0.000 0.476 448 G N 0.917 109.592 108.800 -0.209 0.000 2.935 448 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.222 448 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.222 448 G C 0.360 174.896 174.900 -0.607 0.000 1.258 448 G CA 1.806 46.496 45.100 -0.683 0.000 0.772 448 G HN 1.566 nan 8.290 nan 0.000 0.765 449 V N -0.347 119.346 119.914 -0.368 0.000 3.419 449 V HA -0.160 3.960 4.120 -0.000 0.000 0.488 449 V C 0.258 176.167 176.094 -0.309 0.000 0.682 449 V CA 0.869 63.003 62.300 -0.276 0.000 2.031 449 V CB -0.735 30.966 31.823 -0.203 0.000 2.473 449 V HN 0.970 nan 8.190 nan 0.000 0.503 450 N N 2.291 120.858 118.700 -0.223 0.000 2.453 450 N HA 0.399 5.139 4.740 -0.000 0.000 0.270 450 N C 0.087 175.513 175.510 -0.140 0.000 1.195 450 N CA 0.405 53.334 53.050 -0.202 0.000 0.902 450 N CB 0.490 38.874 38.487 -0.172 0.000 1.186 450 N HN 0.951 nan 8.380 nan 0.000 0.510 451 S N -2.009 113.615 115.700 -0.126 0.000 2.900 451 S HA 0.496 4.966 4.470 -0.000 0.000 0.320 451 S C -0.876 173.686 174.600 -0.064 0.000 1.130 451 S CA -1.029 57.123 58.200 -0.080 0.000 0.863 451 S CB 0.774 63.937 63.200 -0.062 0.000 1.295 451 S HN 0.000 nan 8.310 nan 0.000 0.596 452 D N 1.933 122.314 120.400 -0.031 0.000 2.372 452 D HA 0.535 5.175 4.640 -0.000 0.000 0.243 452 D C 0.520 176.832 176.300 0.020 0.000 1.121 452 D CA 0.334 54.331 54.000 -0.004 0.000 0.898 452 D CB 1.132 41.935 40.800 0.006 0.000 1.202 452 D HN 0.753 nan 8.370 nan 0.000 0.428 453 T N -1.881 112.705 114.554 0.054 0.000 2.618 453 T HA 0.763 5.113 4.350 -0.000 0.000 0.286 453 T C -0.432 174.357 174.700 0.148 0.000 1.027 453 T CA -0.659 61.509 62.100 0.114 0.000 1.063 453 T CB 1.804 70.752 68.868 0.134 0.000 1.440 453 T HN 0.238 nan 8.240 nan 0.000 0.505 454 T N -0.404 114.291 114.554 0.236 0.000 2.942 454 T HA 0.686 5.036 4.350 -0.000 0.000 0.327 454 T C -0.076 174.853 174.700 0.382 0.000 1.360 454 T CA -0.461 61.780 62.100 0.236 0.000 1.055 454 T CB 1.561 70.521 68.868 0.153 0.000 1.261 454 T HN 1.118 nan 8.240 nan 0.000 0.485 455 G N -0.089 108.898 108.800 0.313 0.000 2.502 455 G HA2 0.701 4.661 3.960 -0.000 0.000 0.305 455 G HA3 0.701 4.661 3.960 -0.000 0.000 0.305 455 G C -1.709 173.402 174.900 0.353 0.000 1.190 455 G CA -0.224 45.108 45.100 0.388 0.000 0.933 455 G HN 0.643 nan 8.290 nan 0.000 0.503 456 W N -1.278 120.021 121.300 -0.002 0.000 2.620 456 W HA 0.506 5.166 4.660 -0.000 0.000 0.450 456 W C -1.252 175.088 176.519 -0.298 0.000 0.856 456 W CA -0.607 56.523 57.345 -0.358 0.000 1.290 456 W CB 0.604 29.491 29.460 -0.956 0.000 1.407 456 W HN 0.821 nan 8.180 nan 0.000 0.633 457 S N 1.792 117.047 115.700 -0.742 0.000 2.707 457 S HA 0.557 5.027 4.470 -0.000 0.000 0.303 457 S C -1.474 172.719 174.600 -0.677 0.000 1.132 457 S CA -0.399 57.511 58.200 -0.483 0.000 1.046 457 S CB 0.276 63.233 63.200 -0.405 0.000 1.004 457 S HN 0.330 nan 8.310 nan 0.000 0.483 458 W N 6.731 128.011 121.300 -0.034 0.000 1.993 458 W HA 0.288 4.948 4.660 -0.000 0.000 0.288 458 W C -2.557 173.990 176.519 0.046 0.000 0.844 458 W CA -1.814 55.532 57.345 0.002 0.000 2.039 458 W CB 0.672 30.251 29.460 0.199 0.000 2.270 458 W HN 0.531 nan 8.180 nan 0.000 0.389 459 P HA -0.029 nan 4.420 nan 0.000 0.275 459 P C 0.717 178.109 177.300 0.154 0.000 1.270 459 P CA 0.306 63.489 63.100 0.139 0.000 0.791 459 P CB 1.536 33.268 31.700 0.054 0.000 1.089 460 D N -0.414 120.084 120.400 0.165 0.000 2.144 460 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 460 D C 1.517 177.901 176.300 0.139 0.000 0.984 460 D CA 2.312 56.408 54.000 0.160 0.000 0.834 460 D CB -0.720 40.189 40.800 0.182 0.000 0.955 460 D HN 0.669 nan 8.370 nan 0.000 0.465 461 G N -0.535 108.341 108.800 0.126 0.000 2.205 461 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.261 461 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.261 461 G C 0.467 175.455 174.900 0.146 0.000 0.980 461 G CA 0.534 45.701 45.100 0.112 0.000 0.632 461 G HN 0.796 nan 8.290 nan 0.000 0.533 462 A N 0.144 123.077 122.820 0.188 0.000 2.407 462 A HA 0.665 4.985 4.320 -0.000 0.000 0.248 462 A C 0.533 178.271 177.584 0.257 0.000 1.082 462 A CA 0.116 52.314 52.037 0.269 0.000 0.785 462 A CB 0.302 19.478 19.000 0.294 0.000 1.020 462 A HN 0.898 nan 8.150 nan 0.000 0.489 463 L N 3.665 125.092 121.223 0.340 0.000 2.287 463 L HA 0.307 4.647 4.340 -0.000 0.000 0.280 463 L C -0.475 176.612 176.870 0.362 0.000 1.055 463 L CA -0.083 54.920 54.840 0.272 0.000 0.863 463 L CB -0.054 42.127 42.059 0.204 0.000 1.245 463 L HN 0.568 nan 8.230 nan 0.000 0.432 464 L N 3.518 124.877 121.223 0.226 0.000 2.416 464 L HA 0.593 4.933 4.340 -0.000 0.000 0.262 464 L C -1.581 175.376 176.870 0.145 0.000 1.093 464 L CA -1.808 53.137 54.840 0.175 0.000 0.801 464 L CB 0.422 42.454 42.059 -0.045 0.000 1.191 464 L HN 0.392 nan 8.230 nan 0.000 0.459 465 P HA 0.294 nan 4.420 nan 0.000 0.276 465 P C -0.819 176.745 177.300 0.439 0.000 1.261 465 P CA -0.359 62.851 63.100 0.183 0.000 0.800 465 P CB 0.820 32.586 31.700 0.109 0.000 1.066 466 F N -0.026 120.087 119.950 0.272 0.000 2.272 466 F HA 0.114 4.641 4.527 -0.000 0.000 0.316 466 F C 1.728 177.615 175.800 0.144 0.000 1.068 466 F CA -0.857 57.270 58.000 0.213 0.000 1.114 466 F CB -0.559 38.585 39.000 0.241 0.000 1.611 466 F HN 0.251 nan 8.300 nan 0.000 0.519 467 D N 0.874 121.418 120.400 0.241 0.000 2.400 467 D HA -0.035 4.605 4.640 -0.000 0.000 0.242 467 D C 1.004 177.400 176.300 0.160 0.000 1.077 467 D CA 0.405 54.482 54.000 0.129 0.000 0.943 467 D CB -0.738 40.085 40.800 0.039 0.000 0.882 467 D HN 0.201 nan 8.370 nan 0.000 0.529 468 I N 0.000 120.729 120.570 0.266 0.000 2.984 468 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 468 I CA 0.000 61.460 61.300 0.266 0.000 1.566 468 I CB 0.000 38.127 38.000 0.212 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494