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 4jdw_1_A DATA FIRST_RESID 64 DATA SEQUENCE CPVSSYNEWD PLEEVIVGRA ENACVPPFTI EVKANTYEKY WPFYQKQGGH DATA SEQUENCE YFPKDHLKKA VAEIEEMCNI LKTEGVTVRR PDPIDWSLKY KTPDFESTGL DATA SEQUENCE YSAMPRDILI VVGNEIIEAP MAWRSRFFEY RAYRSIIKDY FHRGAKWTTA DATA SEQUENCE PKPTMADELY NQDYPIHSVE DRHKLAAQGK FVTTEFEPCF DAADFIRAGR DATA SEQUENCE DIFAQRSQVT NYLGIEWMRR HLAPDYRVHI ISFKDPNPMH IDATFNIIGP DATA SEQUENCE GIVLSNPDRP CHQIDLFKKA GWTIITPPTP IIPDDHPLWM SSKWLSMNVL DATA SEQUENCE MLDEKRVMVD ANEVPIQKMF EKLGITTIKV NIRNANSLGG GFHAWTCDVR DATA SEQUENCE RRGTLQSYLD 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 64 C HA 0.000 nan 4.460 nan 0.000 0.325 64 C C 0.000 174.948 174.990 -0.069 0.000 1.270 64 C CA 0.000 58.998 59.018 -0.034 0.000 1.963 64 C CB 0.000 27.718 27.740 -0.036 0.000 2.134 65 P HA -0.097 nan 4.420 nan 0.000 0.218 65 P C -1.529 175.580 177.300 -0.318 0.000 1.149 65 P CA 0.813 63.811 63.100 -0.171 0.000 0.817 65 P CB 0.454 32.065 31.700 -0.149 0.000 0.785 66 V N -0.175 119.538 119.914 -0.336 0.000 2.406 66 V HA 0.186 nan 4.120 nan 0.000 0.272 66 V C -0.874 175.083 176.094 -0.228 0.000 1.043 66 V CA -0.225 61.871 62.300 -0.340 0.000 0.915 66 V CB -0.232 31.408 31.823 -0.306 0.000 0.988 66 V HN -0.790 7.224 8.190 -0.253 0.024 0.466 67 S N 9.300 124.852 115.700 -0.247 0.000 2.277 67 S HA 0.182 nan 4.470 nan 0.000 0.230 67 S C -2.642 171.755 174.600 -0.339 0.000 0.893 67 S CA 0.709 58.739 58.200 -0.283 0.000 1.044 67 S CB 0.682 63.779 63.200 -0.172 0.000 1.252 67 S HN 0.981 9.137 8.310 -0.257 0.000 0.393 68 S N 6.531 121.948 115.700 -0.472 0.000 2.668 68 S HA 0.370 nan 4.470 nan 0.000 0.277 68 S C -1.427 172.904 174.600 -0.448 0.000 1.170 68 S CA -0.226 57.752 58.200 -0.369 0.000 0.994 68 S CB 1.887 64.957 63.200 -0.217 0.000 1.051 68 S HN 0.045 8.040 8.310 -0.525 0.000 0.484 69 Y N 4.801 125.071 120.300 -0.050 0.000 2.444 69 Y HA 0.160 nan 4.550 nan 0.000 0.249 69 Y C -1.474 174.385 175.900 -0.069 0.000 1.134 69 Y CA -0.571 57.533 58.100 0.007 0.000 1.261 69 Y CB 1.134 39.640 38.460 0.076 0.000 1.143 69 Y HN 0.574 8.812 8.280 -0.070 0.000 0.523 70 N N -3.799 114.813 118.700 -0.146 0.000 3.308 70 N HA 0.116 nan 4.740 nan 0.000 0.276 70 N C -0.433 174.804 175.510 -0.455 0.000 1.533 70 N CA -0.617 52.148 53.050 -0.475 0.000 0.878 70 N CB 0.949 38.674 38.487 -1.270 0.000 1.566 70 N HN -0.909 7.370 8.380 -0.168 0.000 0.546 71 E N -2.967 116.947 120.200 -0.475 0.000 2.479 71 E HA 0.074 nan 4.350 nan 0.000 0.193 71 E C -0.536 176.122 176.600 0.097 0.000 1.049 71 E CA 1.107 57.496 56.400 -0.018 0.000 0.870 71 E CB -0.063 29.791 29.700 0.256 0.000 0.944 71 E HN 0.125 8.040 8.360 -0.743 0.000 0.492 72 W N -5.509 115.794 121.300 0.006 0.000 2.835 72 W HA 0.215 nan 4.660 nan 0.000 0.278 72 W C -1.092 175.420 176.519 -0.011 0.000 1.075 72 W CA -1.266 56.063 57.345 -0.026 0.000 1.439 72 W CB 0.542 29.950 29.460 -0.085 0.000 0.927 72 W HN -0.720 7.037 8.180 -0.987 -0.169 0.604 73 D N 2.433 122.764 120.400 -0.116 0.000 2.443 73 D HA 0.016 nan 4.640 nan 0.000 0.234 73 D C -1.448 174.871 176.300 0.033 0.000 1.172 73 D CA 0.571 54.581 54.000 0.017 0.000 0.878 73 D CB -0.356 40.420 40.800 -0.040 0.000 1.204 73 D HN -0.529 7.825 8.370 -0.534 -0.304 0.453 74 P HA -0.197 nan 4.420 nan 0.000 0.253 74 P C -1.266 176.039 177.300 0.009 0.000 1.159 74 P CA 0.810 63.928 63.100 0.030 0.000 0.779 74 P CB -0.245 31.474 31.700 0.032 0.000 0.745 75 L N 5.933 127.158 121.223 0.004 0.000 2.410 75 L HA -0.089 nan 4.340 nan 0.000 0.273 75 L C -1.066 175.800 176.870 -0.007 0.000 1.152 75 L CA 1.143 55.979 54.840 -0.007 0.000 0.855 75 L CB 0.694 42.751 42.059 -0.003 0.000 1.129 75 L HN 0.264 8.499 8.230 0.009 0.000 0.463 76 E N 3.215 123.406 120.200 -0.014 0.000 2.414 76 E HA 0.214 nan 4.350 nan 0.000 0.208 76 E C -0.625 175.972 176.600 -0.005 0.000 0.820 76 E CA 0.360 56.754 56.400 -0.010 0.000 1.143 76 E CB 3.046 32.738 29.700 -0.014 0.000 1.150 76 E HN 0.763 9.108 8.360 -0.024 0.000 0.540 77 E N -1.366 118.826 120.200 -0.013 0.000 2.331 77 E HA 0.696 nan 4.350 nan 0.000 0.275 77 E C -2.792 173.814 176.600 0.011 0.000 0.895 77 E CA -0.726 55.678 56.400 0.007 0.000 0.753 77 E CB 4.252 33.952 29.700 -0.000 0.000 1.216 77 E HN -0.594 7.750 8.360 -0.027 0.000 0.434 78 V N 3.859 123.800 119.914 0.045 0.000 3.120 78 V HA 0.681 nan 4.120 nan 0.000 0.303 78 V C -2.357 173.790 176.094 0.089 0.000 1.238 78 V CA -1.549 60.781 62.300 0.050 0.000 1.008 78 V CB 4.524 36.371 31.823 0.040 0.000 1.064 78 V HN 0.717 8.943 8.190 0.061 0.000 0.434 79 I N 5.253 125.881 120.570 0.097 0.000 2.412 79 I HA 0.652 nan 4.170 nan 0.000 0.296 79 I C -1.578 174.617 176.117 0.130 0.000 0.987 79 I CA -1.047 60.332 61.300 0.133 0.000 1.180 79 I CB 2.481 40.583 38.000 0.170 0.000 1.340 79 I HN 0.149 8.401 8.210 0.070 0.000 0.455 80 V N 4.987 124.988 119.914 0.145 0.000 2.540 80 V HA 0.608 nan 4.120 nan 0.000 0.302 80 V C 0.248 176.463 176.094 0.202 0.000 1.035 80 V CA -2.129 60.276 62.300 0.175 0.000 0.873 80 V CB 2.386 34.298 31.823 0.148 0.000 0.992 80 V HN 0.459 8.729 8.190 0.134 0.000 0.428 81 G N 5.459 114.411 108.800 0.252 0.000 2.631 81 G HA2 0.260 nan 3.960 nan 0.000 0.271 81 G HA3 0.260 nan 3.960 nan 0.000 0.271 81 G C -1.854 173.203 174.900 0.261 0.000 1.302 81 G CA -0.212 44.998 45.100 0.183 0.000 1.002 81 G HN 0.668 9.133 8.290 0.291 0.000 0.519 82 R N -1.091 119.505 120.500 0.161 0.000 2.686 82 R HA 0.332 nan 4.340 nan 0.000 0.286 82 R C -0.777 175.655 176.300 0.219 0.000 0.969 82 R CA -1.426 54.798 56.100 0.207 0.000 0.898 82 R CB 2.967 33.351 30.300 0.141 0.000 1.183 82 R HN 0.031 8.195 8.270 0.023 0.119 0.456 83 A N 1.901 124.892 122.820 0.285 0.000 2.147 83 A HA 0.008 nan 4.320 nan 0.000 0.211 83 A C -0.797 176.926 177.584 0.231 0.000 1.160 83 A CA 0.462 52.665 52.037 0.277 0.000 0.781 83 A CB 0.341 19.514 19.000 0.290 0.000 0.842 83 A HN 0.355 8.657 8.150 0.253 0.000 0.475 84 E N -1.652 118.671 120.200 0.205 0.000 2.529 84 E HA -0.312 nan 4.350 nan 0.000 0.259 84 E C -0.778 175.998 176.600 0.294 0.000 0.966 84 E CA 1.147 57.659 56.400 0.187 0.000 0.937 84 E CB -0.179 29.603 29.700 0.137 0.000 0.923 84 E HN -0.181 8.248 8.360 0.187 0.044 0.468 85 N N -2.574 116.251 118.700 0.209 0.000 2.713 85 N HA -0.427 nan 4.740 nan 0.000 0.251 85 N C -0.966 174.976 175.510 0.721 0.000 1.117 85 N CA 1.000 54.255 53.050 0.343 0.000 0.770 85 N CB -1.466 37.243 38.487 0.370 0.000 1.137 85 N HN 0.287 8.712 8.380 0.074 0.000 0.566 86 A N -1.558 121.607 122.820 0.576 0.000 2.531 86 A HA -0.067 nan 4.320 nan 0.000 0.236 86 A C -0.596 177.387 177.584 0.665 0.000 1.062 86 A CA 1.016 53.397 52.037 0.574 0.000 0.760 86 A CB 0.711 20.006 19.000 0.491 0.000 0.995 86 A HN -0.651 7.708 8.150 0.435 0.052 0.501 87 C N 1.764 121.345 119.300 0.468 0.000 2.563 87 C HA 0.526 nan 4.460 nan 0.000 0.314 87 C C -0.009 174.891 174.990 -0.151 0.000 1.199 87 C CA -0.729 58.375 59.018 0.143 0.000 1.564 87 C CB 3.058 30.808 27.740 0.017 0.000 2.173 87 C HN 0.153 8.491 8.230 0.352 0.104 0.485 88 V N 4.920 124.431 119.914 -0.672 0.000 2.529 88 V HA 0.117 nan 4.120 nan 0.000 0.292 88 V C -1.893 173.959 176.094 -0.403 0.000 1.028 88 V CA -1.192 60.547 62.300 -0.935 0.000 1.074 88 V CB 0.437 31.515 31.823 -1.242 0.000 0.958 88 V HN 0.914 8.724 8.190 -0.634 0.000 0.481 89 P HA 0.210 nan 4.420 nan 0.000 0.272 89 P C -2.258 174.980 177.300 -0.103 0.000 1.223 89 P CA -1.950 61.109 63.100 -0.068 0.000 0.784 89 P CB -0.618 31.109 31.700 0.044 0.000 0.923 90 P HA 0.021 nan 4.420 nan 0.000 0.271 90 P C -0.209 177.048 177.300 -0.072 0.000 1.216 90 P CA -0.124 62.896 63.100 -0.132 0.000 0.776 90 P CB 0.637 32.239 31.700 -0.162 0.000 0.881 91 F N 4.395 124.192 119.950 -0.254 0.000 2.678 91 F HA 0.050 nan 4.527 nan 0.000 0.358 91 F C -1.112 174.468 175.800 -0.367 0.000 1.256 91 F CA -1.690 56.114 58.000 -0.327 0.000 1.278 91 F CB -1.283 37.543 39.000 -0.289 0.000 1.681 91 F HN 0.210 8.545 8.300 0.059 0.000 0.661 92 T N -0.503 113.793 114.554 -0.430 0.000 2.912 92 T HA 0.281 nan 4.350 nan 0.000 0.280 92 T C 1.059 175.378 174.700 -0.636 0.000 0.989 92 T CA -2.075 59.724 62.100 -0.502 0.000 0.995 92 T CB 2.225 70.801 68.868 -0.487 0.000 1.077 92 T HN -0.240 7.711 8.240 -0.390 0.055 0.531 93 I N 1.947 122.193 120.570 -0.540 0.000 2.121 93 I HA -0.466 nan 4.170 nan 0.000 0.243 93 I C 1.210 177.036 176.117 -0.486 0.000 1.047 93 I CA 2.917 63.941 61.300 -0.460 0.000 1.308 93 I CB -0.359 37.447 38.000 -0.323 0.000 1.015 93 I HN 0.290 8.217 8.210 -0.472 0.000 0.410 94 E N -2.379 117.454 120.200 -0.611 0.000 2.150 94 E HA -0.223 nan 4.350 nan 0.000 0.193 94 E C 2.367 178.550 176.600 -0.696 0.000 0.985 94 E CA 3.176 59.240 56.400 -0.560 0.000 0.814 94 E CB -1.226 28.127 29.700 -0.579 0.000 0.752 94 E HN 0.496 8.410 8.360 -0.744 0.000 0.466 95 V N 1.717 121.080 119.914 -0.918 0.000 2.323 95 V HA -0.365 nan 4.120 nan 0.000 0.244 95 V C 1.986 177.724 176.094 -0.593 0.000 1.041 95 V CA 3.716 65.488 62.300 -0.880 0.000 1.025 95 V CB -0.874 30.515 31.823 -0.725 0.000 0.656 95 V HN -0.200 7.347 8.190 -0.880 0.114 0.451 96 K N -0.942 118.957 120.400 -0.835 0.000 2.103 96 K HA -0.394 nan 4.320 nan 0.000 0.207 96 K C 2.481 178.919 176.600 -0.270 0.000 1.048 96 K CA 3.093 58.795 56.287 -0.974 0.000 0.930 96 K CB -0.246 31.542 32.500 -1.186 0.000 0.716 96 K HN 0.173 7.888 8.250 -0.891 0.000 0.444 97 A N -3.469 119.250 122.820 -0.168 0.000 2.019 97 A HA -0.190 nan 4.320 nan 0.000 0.219 97 A C 1.921 179.588 177.584 0.139 0.000 1.164 97 A CA 2.602 54.683 52.037 0.074 0.000 0.644 97 A CB -0.558 18.439 19.000 -0.004 0.000 0.805 97 A HN -0.179 7.776 8.150 -0.306 0.011 0.449 98 N N -3.830 114.911 118.700 0.069 0.000 2.409 98 N HA -0.020 nan 4.740 nan 0.000 0.174 98 N C 0.053 175.619 175.510 0.092 0.000 1.037 98 N CA 1.031 54.159 53.050 0.131 0.000 0.898 98 N CB 1.569 40.214 38.487 0.262 0.000 1.010 98 N HN -0.351 7.842 8.380 -0.056 0.153 0.445 99 T N -1.135 113.469 114.554 0.084 0.000 2.869 99 T HA 0.117 nan 4.350 nan 0.000 0.295 99 T C 0.104 175.160 174.700 0.593 0.000 0.987 99 T CA -1.140 61.064 62.100 0.173 0.000 1.109 99 T CB 0.358 69.153 68.868 -0.121 0.000 0.932 99 T HN -0.684 7.552 8.240 -0.006 0.000 0.518 100 Y N 4.191 124.831 120.300 0.566 0.000 2.425 100 Y HA -0.130 nan 4.550 nan 0.000 0.331 100 Y C 1.501 177.712 175.900 0.517 0.000 1.157 100 Y CA -2.024 56.365 58.100 0.481 0.000 1.372 100 Y CB -0.114 38.599 38.460 0.420 0.000 1.253 100 Y HN 0.311 8.864 8.280 0.456 0.000 0.536 101 E N 5.076 125.493 120.200 0.362 0.000 2.164 101 E HA -0.535 nan 4.350 nan 0.000 0.206 101 E C 2.422 179.100 176.600 0.131 0.000 1.032 101 E CA 4.136 60.503 56.400 -0.055 0.000 0.832 101 E CB -0.136 29.460 29.700 -0.173 0.000 0.742 101 E HN 0.631 9.176 8.360 0.308 0.000 0.460 102 K N -1.389 119.058 120.400 0.079 0.000 2.089 102 K HA -0.285 nan 4.320 nan 0.000 0.210 102 K C 1.484 178.039 176.600 -0.076 0.000 1.048 102 K CA 2.538 58.747 56.287 -0.129 0.000 0.926 102 K CB -0.315 31.942 32.500 -0.406 0.000 0.714 102 K HN 0.044 8.335 8.250 0.100 0.020 0.448 103 Y N -6.285 114.319 120.300 0.508 0.000 2.457 103 Y HA 0.074 nan 4.550 nan 0.000 0.263 103 Y C 0.918 177.211 175.900 0.654 0.000 1.164 103 Y CA -0.501 57.953 58.100 0.590 0.000 1.274 103 Y CB -0.560 38.324 38.460 0.706 0.000 1.097 103 Y HN -0.221 8.219 8.280 0.454 0.112 0.523 104 W N 0.071 121.597 121.300 0.376 0.000 2.321 104 W HA -0.199 nan 4.660 nan 0.000 0.306 104 W C -0.966 175.606 176.519 0.089 0.000 1.217 104 W CA 5.535 63.009 57.345 0.216 0.000 1.257 104 W CB -2.965 26.681 29.460 0.309 0.000 1.145 104 W HN -0.354 8.193 8.180 0.893 0.169 0.509 105 P HA -0.260 nan 4.420 nan 0.000 0.216 105 P C 1.065 178.448 177.300 0.139 0.000 1.153 105 P CA 3.251 66.484 63.100 0.222 0.000 0.848 105 P CB -0.481 31.347 31.700 0.214 0.000 0.787 106 F N -1.006 118.997 119.950 0.087 0.000 2.126 106 F HA -0.390 nan 4.527 nan 0.000 0.299 106 F C 1.346 176.975 175.800 -0.286 0.000 1.096 106 F CA 3.585 61.554 58.000 -0.051 0.000 1.255 106 F CB -0.107 38.933 39.000 0.067 0.000 0.997 106 F HN -0.388 8.202 8.300 0.483 0.000 0.479 107 Y N -1.949 118.105 120.300 -0.411 0.000 2.184 107 Y HA -0.510 nan 4.550 nan 0.000 0.290 107 Y C 2.438 177.880 175.900 -0.764 0.000 1.129 107 Y CA 4.524 62.125 58.100 -0.830 0.000 1.144 107 Y CB -0.220 37.408 38.460 -1.387 0.000 0.995 107 Y HN -0.294 8.006 8.280 0.190 0.094 0.513 108 Q N -0.965 118.562 119.800 -0.455 0.000 2.181 108 Q HA -0.350 nan 4.340 nan 0.000 0.205 108 Q C 1.720 177.626 176.000 -0.157 0.000 0.980 108 Q CA 3.060 58.743 55.803 -0.201 0.000 0.862 108 Q CB -0.102 28.634 28.738 -0.003 0.000 0.905 108 Q HN 0.229 8.150 8.270 -0.402 0.108 0.429 109 K N -1.841 118.433 120.400 -0.210 0.000 2.244 109 K HA 0.007 nan 4.320 nan 0.000 0.200 109 K C 1.452 177.902 176.600 -0.249 0.000 1.052 109 K CA 1.227 57.404 56.287 -0.183 0.000 0.980 109 K CB 0.325 32.736 32.500 -0.148 0.000 0.838 109 K HN -0.326 7.753 8.250 -0.248 0.022 0.481 110 Q N -3.219 116.286 119.800 -0.491 0.000 2.331 110 Q HA 0.020 nan 4.340 nan 0.000 0.203 110 Q C 1.289 177.057 176.000 -0.386 0.000 0.944 110 Q CA -0.280 55.194 55.803 -0.548 0.000 0.892 110 Q CB 0.825 28.808 28.738 -1.258 0.000 0.983 110 Q HN 0.051 7.836 8.270 -0.631 0.107 0.482 111 G N -1.456 107.075 108.800 -0.447 0.000 2.093 111 G HA2 -0.389 nan 3.960 nan 0.000 0.250 111 G HA3 -0.389 nan 3.960 nan 0.000 0.250 111 G C -0.231 174.399 174.900 -0.450 0.000 1.056 111 G CA 1.657 46.522 45.100 -0.392 0.000 0.916 111 G HN -0.260 7.747 8.290 -0.471 0.000 0.421 112 G N 5.738 114.256 108.800 -0.470 0.000 2.217 112 G HA2 -0.410 nan 3.960 nan 0.000 0.246 112 G HA3 -0.410 nan 3.960 nan 0.000 0.246 112 G C -0.683 173.805 174.900 -0.685 0.000 0.990 112 G CA -0.045 44.725 45.100 -0.549 0.000 0.627 112 G HN 0.556 8.485 8.290 -0.412 0.114 0.522 113 H N -0.746 118.093 119.070 -0.384 0.000 2.651 113 H HA 0.391 nan 4.556 nan 0.000 0.353 113 H C -0.492 174.600 175.328 -0.394 0.000 1.178 113 H CA -1.858 53.952 56.048 -0.396 0.000 1.224 113 H CB 2.107 31.689 29.762 -0.300 0.000 1.702 113 H HN 0.032 7.934 8.280 -0.496 0.080 0.550 114 Y N -2.427 117.883 120.300 0.016 0.000 2.652 114 Y HA -0.187 nan 4.550 nan 0.000 0.344 114 Y C 0.507 176.384 175.900 -0.037 0.000 1.254 114 Y CA 0.928 59.050 58.100 0.038 0.000 1.480 114 Y CB 0.244 38.768 38.460 0.107 0.000 1.345 114 Y HN 0.098 8.231 8.280 -0.244 0.000 0.617 115 F N 4.150 124.175 119.950 0.125 0.000 2.490 115 F HA -0.028 nan 4.527 nan 0.000 0.336 115 F C -1.129 174.711 175.800 0.067 0.000 1.178 115 F CA -0.220 57.755 58.000 -0.041 0.000 1.301 115 F CB -0.078 38.874 39.000 -0.081 0.000 1.175 115 F HN -0.227 8.416 8.300 0.573 0.000 0.593 116 P HA -0.126 nan 4.420 nan 0.000 0.252 116 P C 0.052 177.517 177.300 0.276 0.000 1.147 116 P CA 0.489 63.748 63.100 0.265 0.000 0.779 116 P CB 0.025 31.932 31.700 0.345 0.000 0.733 117 K N 6.519 127.037 120.400 0.197 0.000 2.113 117 K HA -0.419 nan 4.320 nan 0.000 0.208 117 K C 1.181 177.872 176.600 0.152 0.000 1.047 117 K CA 2.729 59.104 56.287 0.146 0.000 0.928 117 K CB -0.702 31.845 32.500 0.078 0.000 0.716 117 K HN 0.618 8.971 8.250 0.172 0.000 0.446 118 D N -5.468 115.031 120.400 0.164 0.000 2.144 118 D HA -0.320 nan 4.640 nan 0.000 0.199 118 D C 2.126 178.529 176.300 0.172 0.000 0.984 118 D CA 3.427 57.511 54.000 0.141 0.000 0.834 118 D CB -0.921 39.959 40.800 0.133 0.000 0.955 118 D HN 0.488 8.946 8.370 0.167 0.013 0.465 119 H N 1.316 120.488 119.070 0.170 0.000 2.395 119 H HA -0.092 nan 4.556 nan 0.000 0.299 119 H C 2.362 177.789 175.328 0.165 0.000 1.070 119 H CA 2.768 58.932 56.048 0.193 0.000 1.356 119 H CB 0.638 30.598 29.762 0.329 0.000 1.401 119 H HN -0.645 7.752 8.280 0.382 0.112 0.524 120 L N -1.312 120.113 121.223 0.336 0.000 2.131 120 L HA -0.429 nan 4.340 nan 0.000 0.210 120 L C 1.727 178.681 176.870 0.141 0.000 1.092 120 L CA 2.948 57.933 54.840 0.242 0.000 0.759 120 L CB -0.424 41.760 42.059 0.208 0.000 0.903 120 L HN 0.053 8.404 8.230 0.333 0.079 0.435 121 K N -0.357 120.105 120.400 0.104 0.000 2.057 121 K HA -0.382 nan 4.320 nan 0.000 0.207 121 K C 2.207 178.820 176.600 0.021 0.000 1.049 121 K CA 3.737 60.054 56.287 0.051 0.000 0.931 121 K CB -0.296 32.228 32.500 0.040 0.000 0.714 121 K HN -0.284 8.022 8.250 0.124 0.018 0.440 122 K N -1.201 119.202 120.400 0.006 0.000 2.097 122 K HA -0.278 nan 4.320 nan 0.000 0.205 122 K C 2.285 178.853 176.600 -0.053 0.000 1.050 122 K CA 3.054 59.313 56.287 -0.047 0.000 0.938 122 K CB -0.147 32.285 32.500 -0.114 0.000 0.718 122 K HN -0.774 7.490 8.250 0.024 0.000 0.442 123 A N -0.142 122.674 122.820 -0.007 0.000 1.898 123 A HA -0.165 nan 4.320 nan 0.000 0.216 123 A C 2.146 179.676 177.584 -0.090 0.000 1.181 123 A CA 3.182 55.195 52.037 -0.040 0.000 0.620 123 A CB -0.730 18.329 19.000 0.099 0.000 0.819 123 A HN -0.380 7.801 8.150 0.052 0.000 0.442 124 V N -0.712 119.194 119.914 -0.013 0.000 2.287 124 V HA -0.512 nan 4.120 nan 0.000 0.248 124 V C 1.910 177.975 176.094 -0.048 0.000 1.053 124 V CA 4.257 66.548 62.300 -0.014 0.000 1.027 124 V CB -1.325 30.511 31.823 0.022 0.000 0.646 124 V HN 0.110 8.319 8.190 0.032 0.000 0.447 125 A N -1.468 121.324 122.820 -0.046 0.000 1.865 125 A HA -0.414 nan 4.320 nan 0.000 0.217 125 A C 1.972 179.509 177.584 -0.077 0.000 1.191 125 A CA 3.546 55.553 52.037 -0.051 0.000 0.623 125 A CB -0.892 18.081 19.000 -0.044 0.000 0.826 125 A HN -0.177 7.953 8.150 -0.034 0.000 0.444 126 E N -1.225 118.908 120.200 -0.111 0.000 2.097 126 E HA -0.376 nan 4.350 nan 0.000 0.196 126 E C 2.661 179.155 176.600 -0.176 0.000 1.000 126 E CA 3.002 59.314 56.400 -0.146 0.000 0.804 126 E CB -0.122 29.461 29.700 -0.196 0.000 0.740 126 E HN -0.238 8.057 8.360 -0.107 0.000 0.454 127 I N -1.480 118.951 120.570 -0.232 0.000 2.439 127 I HA -0.317 nan 4.170 nan 0.000 0.251 127 I C 2.320 178.380 176.117 -0.095 0.000 1.139 127 I CA 2.050 63.213 61.300 -0.228 0.000 1.438 127 I CB -1.381 36.440 38.000 -0.299 0.000 1.085 127 I HN 0.048 8.117 8.210 -0.235 0.000 0.427 128 E N -0.069 120.091 120.200 -0.067 0.000 2.110 128 E HA -0.348 nan 4.350 nan 0.000 0.193 128 E C 2.774 179.357 176.600 -0.030 0.000 0.988 128 E CA 2.989 59.369 56.400 -0.033 0.000 0.804 128 E CB -0.861 28.824 29.700 -0.025 0.000 0.745 128 E HN -0.036 8.277 8.360 -0.077 0.000 0.458 129 E N 0.156 120.332 120.200 -0.040 0.000 2.072 129 E HA -0.224 nan 4.350 nan 0.000 0.191 129 E C 2.159 178.745 176.600 -0.022 0.000 0.985 129 E CA 2.202 58.583 56.400 -0.031 0.000 0.801 129 E CB -0.525 29.153 29.700 -0.037 0.000 0.750 129 E HN -0.518 7.809 8.360 -0.055 0.000 0.452 130 M N -0.043 119.544 119.600 -0.022 0.000 2.159 130 M HA -0.332 nan 4.480 nan 0.000 0.263 130 M C 2.012 178.318 176.300 0.010 0.000 1.063 130 M CA 3.898 59.204 55.300 0.010 0.000 1.110 130 M CB 0.003 32.623 32.600 0.034 0.000 1.374 130 M HN -0.302 7.895 8.290 -0.047 0.065 0.411 131 C N -1.156 118.146 119.300 0.003 0.000 2.450 131 C HA -0.341 nan 4.460 nan 0.000 0.279 131 C C 2.152 177.144 174.990 0.004 0.000 1.335 131 C CA 3.760 62.785 59.018 0.013 0.000 1.749 131 C CB -2.129 25.621 27.740 0.017 0.000 1.963 131 C HN 0.269 8.401 8.230 -0.010 0.091 0.501 132 N N 0.982 119.679 118.700 -0.005 0.000 2.058 132 N HA -0.264 nan 4.740 nan 0.000 0.191 132 N C 1.989 177.492 175.510 -0.012 0.000 1.037 132 N CA 3.289 56.334 53.050 -0.009 0.000 0.848 132 N CB -0.522 37.957 38.487 -0.013 0.000 1.021 132 N HN -0.303 7.984 8.380 -0.008 0.089 0.422 133 I N 0.292 120.852 120.570 -0.017 0.000 2.208 133 I HA -0.503 nan 4.170 nan 0.000 0.245 133 I C 1.616 177.717 176.117 -0.026 0.000 1.097 133 I CA 4.296 65.580 61.300 -0.028 0.000 1.363 133 I CB -0.084 37.891 38.000 -0.041 0.000 1.051 133 I HN 0.079 8.279 8.210 -0.016 0.000 0.413 134 L N -1.188 120.026 121.223 -0.016 0.000 2.079 134 L HA -0.516 nan 4.340 nan 0.000 0.210 134 L C 2.056 178.922 176.870 -0.006 0.000 1.081 134 L CA 3.455 58.288 54.840 -0.010 0.000 0.752 134 L CB -0.689 41.376 42.059 0.010 0.000 0.896 134 L HN -0.172 8.052 8.230 -0.009 0.000 0.433 135 K N -1.143 119.255 120.400 -0.002 0.000 2.097 135 K HA -0.334 nan 4.320 nan 0.000 0.206 135 K C 3.150 179.746 176.600 -0.006 0.000 1.049 135 K CA 3.708 59.995 56.287 -0.001 0.000 0.933 135 K CB -0.321 32.180 32.500 0.001 0.000 0.717 135 K HN -0.046 8.125 8.250 -0.001 0.077 0.442 136 T N 2.078 116.625 114.554 -0.012 0.000 2.777 136 T HA -0.169 nan 4.350 nan 0.000 0.266 136 T C 1.569 176.258 174.700 -0.017 0.000 1.040 136 T CA 3.410 65.501 62.100 -0.015 0.000 1.141 136 T CB -0.452 68.404 68.868 -0.020 0.000 0.868 136 T HN -0.274 7.869 8.240 -0.013 0.089 0.444 137 E N -1.805 118.382 120.200 -0.021 0.000 2.526 137 E HA 0.032 nan 4.350 nan 0.000 0.198 137 E C 0.709 177.300 176.600 -0.015 0.000 1.091 137 E CA -0.578 55.808 56.400 -0.024 0.000 0.880 137 E CB -0.451 29.229 29.700 -0.035 0.000 0.873 137 E HN -0.186 8.083 8.360 -0.023 0.077 0.527 138 G N -1.672 107.123 108.800 -0.009 0.000 2.149 138 G HA2 -0.450 nan 3.960 nan 0.000 0.235 138 G HA3 -0.450 nan 3.960 nan 0.000 0.235 138 G C -0.954 173.946 174.900 -0.000 0.000 1.018 138 G CA 0.410 45.508 45.100 -0.004 0.000 0.728 138 G HN -0.425 7.653 8.290 -0.009 0.206 0.508 139 V N -0.019 119.895 119.914 0.001 0.000 2.459 139 V HA 0.195 nan 4.120 nan 0.000 0.295 139 V C -0.051 176.053 176.094 0.015 0.000 1.029 139 V CA -1.115 61.189 62.300 0.007 0.000 0.874 139 V CB 0.956 32.783 31.823 0.006 0.000 0.985 139 V HN -0.371 7.818 8.190 -0.001 0.000 0.438 140 T N 9.502 124.070 114.554 0.022 0.000 2.814 140 T HA 0.112 nan 4.350 nan 0.000 0.297 140 T C -1.148 173.579 174.700 0.046 0.000 0.956 140 T CA 0.806 62.926 62.100 0.033 0.000 1.123 140 T CB 0.090 68.983 68.868 0.042 0.000 0.902 140 T HN 0.477 8.631 8.240 0.018 0.097 0.528 141 V N 5.772 125.713 119.914 0.045 0.000 2.398 141 V HA 0.535 nan 4.120 nan 0.000 0.286 141 V C -0.384 175.746 176.094 0.060 0.000 1.026 141 V CA -1.079 61.253 62.300 0.055 0.000 0.868 141 V CB 0.762 32.612 31.823 0.045 0.000 0.982 141 V HN 0.354 8.566 8.190 0.037 0.000 0.443 142 R N 6.336 126.883 120.500 0.078 0.000 2.778 142 R HA 0.470 nan 4.340 nan 0.000 0.277 142 R C -1.620 174.722 176.300 0.070 0.000 0.977 142 R CA -2.402 53.738 56.100 0.065 0.000 0.950 142 R CB 2.810 33.157 30.300 0.077 0.000 1.165 142 R HN 0.615 8.941 8.270 0.092 0.000 0.474 143 R N 0.942 121.468 120.500 0.043 0.000 2.744 143 R HA 0.565 nan 4.340 nan 0.000 0.279 143 R C -2.017 174.281 176.300 -0.004 0.000 0.977 143 R CA -3.650 52.475 56.100 0.042 0.000 0.906 143 R CB -0.105 30.216 30.300 0.036 0.000 1.197 143 R HN 0.296 8.578 8.270 0.021 0.000 0.463 144 P HA 0.017 nan 4.420 nan 0.000 0.271 144 P C -1.183 176.048 177.300 -0.114 0.000 1.244 144 P CA -0.438 62.537 63.100 -0.209 0.000 0.793 144 P CB 0.596 32.040 31.700 -0.426 0.000 0.984 145 D N 0.280 120.606 120.400 -0.124 0.000 2.264 145 D HA 0.331 nan 4.640 nan 0.000 0.249 145 D C -1.612 174.653 176.300 -0.057 0.000 1.070 145 D CA -1.635 52.320 54.000 -0.075 0.000 0.912 145 D CB -0.020 40.733 40.800 -0.078 0.000 1.193 145 D HN -0.080 8.082 8.370 -0.171 0.105 0.427 146 P HA 0.087 nan 4.420 nan 0.000 0.276 146 P C -1.118 176.116 177.300 -0.110 0.000 1.235 146 P CA 0.059 63.142 63.100 -0.028 0.000 0.772 146 P CB 0.589 32.278 31.700 -0.019 0.000 0.871 147 I N 2.021 122.481 120.570 -0.183 0.000 2.802 147 I HA 0.055 nan 4.170 nan 0.000 0.298 147 I C -1.780 174.012 176.117 -0.542 0.000 1.176 147 I CA -1.125 59.904 61.300 -0.453 0.000 1.025 147 I CB 4.504 42.014 38.000 -0.817 0.000 1.243 147 I HN -0.202 7.965 8.210 -0.072 0.000 0.424 148 D N 4.071 124.220 120.400 -0.418 0.000 2.339 148 D HA 0.028 nan 4.640 nan 0.000 0.241 148 D C 0.147 176.254 176.300 -0.321 0.000 1.183 148 D CA -1.059 52.822 54.000 -0.198 0.000 0.859 148 D CB -0.046 40.727 40.800 -0.045 0.000 1.067 148 D HN 0.180 8.331 8.370 -0.366 0.000 0.484 149 W N 4.819 126.230 121.300 0.185 0.000 3.180 149 W HA -0.033 nan 4.660 nan 0.000 0.254 149 W C 0.072 176.626 176.519 0.059 0.000 1.318 149 W CA 0.482 57.916 57.345 0.150 0.000 1.608 149 W CB -0.367 29.208 29.460 0.192 0.000 1.124 149 W HN 0.252 8.565 8.180 0.223 0.000 0.694 150 S N -1.703 114.062 115.700 0.108 0.000 2.528 150 S HA -0.137 nan 4.470 nan 0.000 0.219 150 S C 0.255 174.820 174.600 -0.057 0.000 0.985 150 S CA 1.252 59.401 58.200 -0.084 0.000 0.914 150 S CB -0.079 62.936 63.200 -0.307 0.000 0.776 150 S HN -0.536 8.051 8.310 0.113 -0.208 0.526 151 L N 3.226 124.445 121.223 -0.007 0.000 2.499 151 L HA -0.067 nan 4.340 nan 0.000 0.273 151 L C -1.394 175.480 176.870 0.008 0.000 1.195 151 L CA 0.193 55.025 54.840 -0.015 0.000 0.882 151 L CB 0.959 43.001 42.059 -0.027 0.000 1.133 151 L HN -1.011 7.172 8.230 0.008 0.052 0.483 152 K N 6.667 127.031 120.400 -0.059 0.000 2.258 152 K HA 0.187 nan 4.320 nan 0.000 0.284 152 K C -0.813 175.752 176.600 -0.057 0.000 1.051 152 K CA -0.609 55.596 56.287 -0.136 0.000 0.923 152 K CB 0.589 33.003 32.500 -0.144 0.000 1.046 152 K HN -0.142 8.069 8.250 -0.065 0.000 0.474 153 Y N 3.669 123.959 120.300 -0.017 0.000 2.587 153 Y HA 0.426 nan 4.550 nan 0.000 0.337 153 Y C -2.391 173.459 175.900 -0.083 0.000 1.065 153 Y CA -2.802 55.270 58.100 -0.048 0.000 1.126 153 Y CB 2.849 41.308 38.460 -0.002 0.000 1.279 153 Y HN 0.849 8.714 8.280 -0.691 0.000 0.489 154 K N 1.632 122.085 120.400 0.089 0.000 2.652 154 K HA 0.349 nan 4.320 nan 0.000 0.249 154 K C -1.241 175.257 176.600 -0.170 0.000 0.986 154 K CA -0.808 55.414 56.287 -0.107 0.000 0.867 154 K CB 2.019 34.463 32.500 -0.094 0.000 1.201 154 K HN 0.044 8.376 8.250 0.136 0.000 0.450 155 T N 2.605 116.892 114.554 -0.445 0.000 2.852 155 T HA 0.531 nan 4.350 nan 0.000 0.281 155 T C -0.392 174.151 174.700 -0.263 0.000 0.993 155 T CA -2.999 58.861 62.100 -0.400 0.000 0.933 155 T CB -0.811 67.624 68.868 -0.722 0.000 1.187 155 T HN 0.565 8.341 8.240 -0.772 0.000 0.559 156 P HA 0.081 nan 4.420 nan 0.000 0.233 156 P C -0.679 176.598 177.300 -0.039 0.000 1.167 156 P CA 1.380 64.438 63.100 -0.070 0.000 0.770 156 P CB 0.404 32.090 31.700 -0.025 0.000 0.837 157 D N -3.448 116.931 120.400 -0.035 0.000 2.366 157 D HA 0.153 nan 4.640 nan 0.000 0.205 157 D C -0.692 175.736 176.300 0.213 0.000 1.022 157 D CA 1.212 55.279 54.000 0.112 0.000 0.868 157 D CB 2.112 43.057 40.800 0.241 0.000 0.953 157 D HN -0.313 7.933 8.370 -0.121 0.052 0.514 158 F N -6.061 113.870 119.950 -0.031 0.000 2.900 158 F HA 0.321 nan 4.527 nan 0.000 0.321 158 F C -3.403 172.372 175.800 -0.042 0.000 1.160 158 F CA -1.171 56.806 58.000 -0.037 0.000 0.890 158 F CB 1.256 40.239 39.000 -0.029 0.000 1.334 158 F HN -0.889 7.199 8.300 -0.354 0.000 0.459 159 E N -0.911 119.333 120.200 0.072 0.000 2.293 159 E HA 0.679 nan 4.350 nan 0.000 0.270 159 E C -2.012 174.590 176.600 0.004 0.000 0.879 159 E CA -1.321 55.038 56.400 -0.067 0.000 0.756 159 E CB 2.822 32.477 29.700 -0.076 0.000 1.208 159 E HN 0.003 8.501 8.360 0.231 0.000 0.428 160 S N 2.401 117.945 115.700 -0.261 0.000 2.615 160 S HA 0.305 nan 4.470 nan 0.000 0.268 160 S C -2.370 171.823 174.600 -0.679 0.000 1.146 160 S CA -0.842 57.145 58.200 -0.355 0.000 0.818 160 S CB 2.593 65.731 63.200 -0.104 0.000 1.111 160 S HN 0.595 8.651 8.310 -0.423 0.000 0.465 161 T N -1.411 112.914 114.554 -0.381 0.000 2.952 161 T HA 0.788 nan 4.350 nan 0.000 0.286 161 T C 0.020 174.715 174.700 -0.009 0.000 1.024 161 T CA -2.117 59.837 62.100 -0.244 0.000 1.029 161 T CB 1.845 70.604 68.868 -0.183 0.000 1.094 161 T HN -0.094 7.996 8.240 -0.250 0.000 0.515 162 G N -0.068 108.904 108.800 0.287 0.000 2.563 162 G HA2 0.472 nan 3.960 nan 0.000 0.283 162 G HA3 0.472 nan 3.960 nan 0.000 0.283 162 G C -2.103 172.960 174.900 0.272 0.000 1.309 162 G CA -0.539 44.877 45.100 0.526 0.000 1.022 162 G HN -0.077 8.383 8.290 0.283 0.000 0.501 163 L N -1.719 119.545 121.223 0.067 0.000 3.076 163 L HA 0.531 nan 4.340 nan 0.000 0.173 163 L C -1.503 175.065 176.870 -0.504 0.000 1.343 163 L CA -0.429 54.267 54.840 -0.239 0.000 0.894 163 L CB 3.018 44.845 42.059 -0.387 0.000 1.372 163 L HN -0.203 8.069 8.230 0.069 0.000 0.565 164 Y N -8.149 111.586 120.300 -0.942 0.000 2.852 164 Y HA 0.313 nan 4.550 nan 0.000 0.350 164 Y C -2.217 173.022 175.900 -1.102 0.000 1.272 164 Y CA -2.141 55.204 58.100 -1.258 0.000 1.086 164 Y CB 0.605 38.803 38.460 -0.437 0.000 1.408 164 Y HN -0.772 7.028 8.280 -0.801 0.000 0.447 165 S N -1.206 114.308 115.700 -0.309 0.000 2.668 165 S HA 0.268 nan 4.470 nan 0.000 0.244 165 S C 0.775 175.242 174.600 -0.222 0.000 1.140 165 S CA -1.919 56.209 58.200 -0.120 0.000 1.134 165 S CB 0.739 63.951 63.200 0.021 0.000 0.954 165 S HN 0.476 8.696 8.310 -0.150 0.000 0.490 166 A N 1.885 124.292 122.820 -0.689 0.000 1.975 166 A HA 0.014 nan 4.320 nan 0.000 0.215 166 A C -0.883 176.046 177.584 -1.092 0.000 1.170 166 A CA 2.342 53.718 52.037 -1.102 0.000 0.656 166 A CB 0.187 18.064 19.000 -1.873 0.000 0.821 166 A HN 0.031 7.574 8.150 -0.884 0.077 0.449 167 M N -4.259 114.862 119.600 -0.798 0.000 2.268 167 M HA 0.411 nan 4.480 nan 0.000 0.340 167 M C -1.999 174.150 176.300 -0.252 0.000 1.099 167 M CA -4.549 50.422 55.300 -0.548 0.000 1.053 167 M CB -1.500 30.799 32.600 -0.501 0.000 1.284 167 M HN -0.335 7.539 8.290 -0.695 0.000 0.410 168 P HA -0.196 nan 4.420 nan 0.000 0.218 168 P C 0.899 178.050 177.300 -0.248 0.000 1.148 168 P CA 2.456 65.456 63.100 -0.166 0.000 0.822 168 P CB -0.026 31.651 31.700 -0.039 0.000 0.784 169 R N -3.290 117.074 120.500 -0.227 0.000 2.152 169 R HA -0.305 nan 4.340 nan 0.000 0.232 169 R C 0.760 176.916 176.300 -0.241 0.000 1.117 169 R CA 2.360 58.322 56.100 -0.230 0.000 0.981 169 R CB -0.654 29.494 30.300 -0.254 0.000 0.870 169 R HN -0.655 7.463 8.270 -0.219 0.021 0.451 170 D N -2.890 117.330 120.400 -0.300 0.000 2.178 170 D HA -0.138 nan 4.640 nan 0.000 0.202 170 D C 1.314 177.507 176.300 -0.178 0.000 0.974 170 D CA 3.274 57.080 54.000 -0.324 0.000 0.841 170 D CB 0.390 41.016 40.800 -0.291 0.000 0.953 170 D HN -0.386 7.657 8.370 -0.291 0.152 0.478 171 I N -3.140 117.313 120.570 -0.196 0.000 4.032 171 I HA 0.171 nan 4.170 nan 0.000 0.313 171 I C -1.901 174.095 176.117 -0.202 0.000 1.272 171 I CA 0.399 61.585 61.300 -0.189 0.000 1.307 171 I CB 1.777 39.665 38.000 -0.186 0.000 1.155 171 I HN -0.719 7.214 8.210 -0.240 0.133 0.431 172 L N -2.016 119.065 121.223 -0.236 0.000 2.346 172 L HA 0.617 nan 4.340 nan 0.000 0.274 172 L C -1.810 174.997 176.870 -0.105 0.000 1.007 172 L CA -1.042 53.688 54.840 -0.183 0.000 0.818 172 L CB 2.534 44.440 42.059 -0.255 0.000 1.284 172 L HN -0.280 7.796 8.230 -0.257 0.000 0.424 173 I N 1.335 121.869 120.570 -0.060 0.000 2.619 173 I HA 0.373 nan 4.170 nan 0.000 0.292 173 I C -2.634 173.449 176.117 -0.055 0.000 1.100 173 I CA -1.422 59.854 61.300 -0.039 0.000 1.043 173 I CB 4.502 42.501 38.000 -0.003 0.000 1.239 173 I HN 0.033 8.212 8.210 -0.052 0.000 0.420 174 V N 7.652 127.521 119.914 -0.075 0.000 2.384 174 V HA 0.556 nan 4.120 nan 0.000 0.287 174 V C -1.552 174.458 176.094 -0.140 0.000 1.020 174 V CA -0.965 61.272 62.300 -0.106 0.000 0.850 174 V CB 0.980 32.723 31.823 -0.134 0.000 0.987 174 V HN 0.196 8.346 8.190 -0.067 0.000 0.436 175 V N 6.392 126.205 119.914 -0.168 0.000 2.349 175 V HA 0.565 nan 4.120 nan 0.000 0.284 175 V C 0.534 176.490 176.094 -0.230 0.000 1.014 175 V CA -1.843 60.297 62.300 -0.266 0.000 0.826 175 V CB -0.309 31.252 31.823 -0.438 0.000 1.009 175 V HN 0.518 8.631 8.190 -0.129 0.000 0.431 176 G N 8.241 116.860 108.800 -0.301 0.000 2.561 176 G HA2 -0.463 nan 3.960 nan 0.000 0.289 176 G HA3 -0.463 nan 3.960 nan 0.000 0.289 176 G C -0.739 173.978 174.900 -0.305 0.000 1.169 176 G CA 1.530 46.399 45.100 -0.385 0.000 0.980 176 G HN 0.301 8.378 8.290 -0.355 0.000 0.550 177 N N 5.150 123.783 118.700 -0.112 0.000 2.320 177 N HA 0.096 nan 4.740 nan 0.000 0.237 177 N C -1.952 173.544 175.510 -0.022 0.000 1.129 177 N CA -0.471 52.532 53.050 -0.077 0.000 0.854 177 N CB 0.299 38.778 38.487 -0.014 0.000 1.083 177 N HN 0.213 8.585 8.380 -0.014 0.000 0.504 178 E N -0.068 120.115 120.200 -0.028 0.000 2.234 178 E HA 0.653 nan 4.350 nan 0.000 0.266 178 E C -2.196 174.415 176.600 0.019 0.000 0.877 178 E CA -1.615 54.809 56.400 0.041 0.000 0.758 178 E CB 3.408 33.152 29.700 0.073 0.000 1.170 178 E HN -0.547 7.679 8.360 -0.077 0.088 0.415 179 I N 5.919 126.531 120.570 0.070 0.000 2.353 179 I HA 0.561 nan 4.170 nan 0.000 0.293 179 I C -1.185 175.000 176.117 0.113 0.000 0.992 179 I CA -0.376 60.953 61.300 0.049 0.000 1.268 179 I CB 1.617 39.635 38.000 0.030 0.000 1.387 179 I HN 0.788 9.075 8.210 0.128 0.000 0.478 180 I N 6.717 127.324 120.570 0.061 0.000 2.436 180 I HA 0.363 nan 4.170 nan 0.000 0.289 180 I C -1.473 174.654 176.117 0.016 0.000 1.010 180 I CA -1.078 60.264 61.300 0.071 0.000 1.098 180 I CB 2.169 40.209 38.000 0.067 0.000 1.266 180 I HN 0.764 8.983 8.210 0.014 0.000 0.434 181 E N 6.799 126.997 120.200 -0.003 0.000 2.130 181 E HA 0.400 nan 4.350 nan 0.000 0.284 181 E C -1.038 175.435 176.600 -0.212 0.000 1.018 181 E CA -1.491 54.858 56.400 -0.084 0.000 0.817 181 E CB 1.115 30.784 29.700 -0.053 0.000 1.078 181 E HN 0.324 8.702 8.360 0.030 0.000 0.396 182 A N 6.299 128.968 122.820 -0.251 0.000 2.386 182 A HA 0.097 nan 4.320 nan 0.000 0.248 182 A C -2.126 175.096 177.584 -0.603 0.000 1.082 182 A CA -1.899 49.805 52.037 -0.556 0.000 0.789 182 A CB -0.780 17.991 19.000 -0.382 0.000 1.025 182 A HN 0.372 8.418 8.150 -0.174 0.000 0.490 183 P HA -0.057 nan 4.420 nan 0.000 0.219 183 P C -0.829 176.232 177.300 -0.399 0.000 1.150 183 P CA 1.026 63.767 63.100 -0.599 0.000 0.814 183 P CB 0.468 31.790 31.700 -0.629 0.000 0.787 184 M N -5.166 114.226 119.600 -0.346 0.000 7.319 184 M HA -0.421 nan 4.480 nan 0.000 0.149 184 M C -0.869 175.407 176.300 -0.040 0.000 0.480 184 M CA 0.802 56.016 55.300 -0.143 0.000 1.311 184 M CB -1.665 30.892 32.600 -0.071 0.000 0.421 184 M HN -0.203 7.787 8.290 -0.501 0.000 0.280 185 A N -2.533 120.351 122.820 0.106 0.000 2.606 185 A HA 0.230 nan 4.320 nan 0.000 0.230 185 A C -1.631 176.229 177.584 0.459 0.000 1.279 185 A CA -0.103 52.075 52.037 0.234 0.000 1.010 185 A CB 1.431 20.569 19.000 0.230 0.000 1.271 185 A HN 0.280 8.493 8.150 0.105 0.000 0.584 186 W N -2.558 118.777 121.300 0.058 0.000 2.417 186 W HA 0.164 nan 4.660 nan 0.000 0.317 186 W C 1.321 177.849 176.519 0.015 0.000 1.121 186 W CA -2.208 55.144 57.345 0.011 0.000 1.208 186 W CB 0.518 29.971 29.460 -0.012 0.000 1.253 186 W HN -0.766 7.653 8.180 0.398 0.000 0.533 187 R N 5.030 125.539 120.500 0.015 0.000 2.096 187 R HA -0.361 nan 4.340 nan 0.000 0.235 187 R C 1.947 178.427 176.300 0.300 0.000 1.127 187 R CA 4.012 60.051 56.100 -0.100 0.000 0.968 187 R CB -0.151 29.846 30.300 -0.505 0.000 0.861 187 R HN 0.322 8.786 8.270 -0.176 -0.300 0.440 188 S N -2.318 113.530 115.700 0.248 0.000 2.603 188 S HA -0.134 nan 4.470 nan 0.000 0.229 188 S C 1.014 175.870 174.600 0.428 0.000 0.972 188 S CA 2.541 60.944 58.200 0.337 0.000 0.935 188 S CB -0.675 62.634 63.200 0.182 0.000 0.769 188 S HN 0.283 8.656 8.310 0.124 0.012 0.536 189 R N 0.173 120.915 120.500 0.402 0.000 2.543 189 R HA 0.175 nan 4.340 nan 0.000 0.323 189 R C 0.890 177.350 176.300 0.265 0.000 1.002 189 R CA -0.649 55.616 56.100 0.275 0.000 1.106 189 R CB -0.141 30.251 30.300 0.154 0.000 1.280 189 R HN -0.367 7.948 8.270 0.413 0.203 0.549 190 F N 3.248 123.323 119.950 0.208 0.000 2.126 190 F HA -0.353 nan 4.527 nan 0.000 0.299 190 F C -0.091 175.597 175.800 -0.187 0.000 1.096 190 F CA 4.597 62.598 58.000 0.002 0.000 1.255 190 F CB 0.543 39.574 39.000 0.052 0.000 0.997 190 F HN -0.592 8.030 8.300 0.634 0.059 0.479 191 F N -4.826 115.191 119.950 0.113 0.000 2.668 191 F HA 0.128 nan 4.527 nan 0.000 0.297 191 F C 0.922 176.627 175.800 -0.159 0.000 1.124 191 F CA -0.975 56.885 58.000 -0.232 0.000 1.353 191 F CB -0.760 38.022 39.000 -0.363 0.000 0.992 191 F HN -0.465 8.007 8.300 0.286 0.000 0.524 192 E N 2.400 122.731 120.200 0.218 0.000 2.160 192 E HA -0.394 nan 4.350 nan 0.000 0.195 192 E C 1.559 178.368 176.600 0.348 0.000 0.991 192 E CA 3.724 60.299 56.400 0.293 0.000 0.810 192 E CB -0.205 29.584 29.700 0.147 0.000 0.742 192 E HN -0.470 7.821 8.360 0.188 0.181 0.466 193 Y N -4.393 116.073 120.300 0.277 0.000 2.384 193 Y HA -0.283 nan 4.550 nan 0.000 0.289 193 Y C 1.934 178.027 175.900 0.322 0.000 1.152 193 Y CA 1.128 59.399 58.100 0.285 0.000 1.258 193 Y CB -1.035 37.498 38.460 0.122 0.000 0.979 193 Y HN -0.158 8.303 8.280 0.330 0.017 0.549 194 R N -0.194 120.226 120.500 -0.133 0.000 2.127 194 R HA -0.412 nan 4.340 nan 0.000 0.238 194 R C 2.438 178.767 176.300 0.049 0.000 1.134 194 R CA 2.888 58.955 56.100 -0.055 0.000 0.975 194 R CB -0.570 29.600 30.300 -0.216 0.000 0.865 194 R HN -0.284 7.673 8.270 -0.440 0.048 0.447 195 A N -1.013 121.859 122.820 0.086 0.000 2.015 195 A HA -0.119 nan 4.320 nan 0.000 0.219 195 A C 1.001 178.447 177.584 -0.231 0.000 1.163 195 A CA 2.507 54.484 52.037 -0.099 0.000 0.646 195 A CB -0.295 18.628 19.000 -0.127 0.000 0.806 195 A HN -0.459 7.798 8.150 0.221 0.025 0.448 196 Y N -5.696 114.664 120.300 0.099 0.000 2.458 196 Y HA 0.160 nan 4.550 nan 0.000 0.256 196 Y C 1.263 177.154 175.900 -0.015 0.000 1.159 196 Y CA 0.067 58.190 58.100 0.038 0.000 1.261 196 Y CB -0.283 38.203 38.460 0.042 0.000 1.119 196 Y HN -0.596 7.734 8.280 0.325 0.145 0.524 197 R N 0.509 121.101 120.500 0.154 0.000 2.096 197 R HA -0.323 nan 4.340 nan 0.000 0.235 197 R C 2.010 178.290 176.300 -0.034 0.000 1.127 197 R CA 2.719 58.864 56.100 0.075 0.000 0.968 197 R CB -1.053 29.357 30.300 0.183 0.000 0.861 197 R HN -0.676 7.695 8.270 0.168 0.000 0.440 198 S N -0.542 115.146 115.700 -0.021 0.000 2.370 198 S HA -0.256 nan 4.470 nan 0.000 0.226 198 S C 2.016 176.538 174.600 -0.131 0.000 1.033 198 S CA 3.779 61.948 58.200 -0.053 0.000 1.011 198 S CB -0.519 62.654 63.200 -0.046 0.000 0.852 198 S HN 0.048 8.358 8.310 -0.000 0.000 0.457 199 I N 1.605 122.079 120.570 -0.160 0.000 2.202 199 I HA -0.366 nan 4.170 nan 0.000 0.242 199 I C 1.534 177.353 176.117 -0.496 0.000 1.091 199 I CA 3.452 64.553 61.300 -0.332 0.000 1.368 199 I CB -0.005 37.863 38.000 -0.220 0.000 1.058 199 I HN -0.380 7.777 8.210 -0.088 0.000 0.410 200 I N -0.379 119.979 120.570 -0.353 0.000 2.286 200 I HA -0.620 nan 4.170 nan 0.000 0.248 200 I C 1.904 177.698 176.117 -0.539 0.000 1.115 200 I CA 4.339 65.348 61.300 -0.486 0.000 1.392 200 I CB -0.585 36.963 38.000 -0.753 0.000 1.065 200 I HN -0.039 8.036 8.210 -0.226 0.000 0.418 201 K N -0.821 119.340 120.400 -0.400 0.000 2.097 201 K HA -0.403 nan 4.320 nan 0.000 0.206 201 K C 2.043 178.735 176.600 0.154 0.000 1.049 201 K CA 3.909 60.113 56.287 -0.139 0.000 0.933 201 K CB -0.521 32.015 32.500 0.060 0.000 0.717 201 K HN 0.206 8.263 8.250 -0.321 0.000 0.442 202 D N -0.276 120.151 120.400 0.046 0.000 2.097 202 D HA -0.249 nan 4.640 nan 0.000 0.195 202 D C 2.363 178.743 176.300 0.132 0.000 0.989 202 D CA 3.263 57.311 54.000 0.079 0.000 0.827 202 D CB -0.084 40.635 40.800 -0.135 0.000 0.966 202 D HN -0.690 7.603 8.370 -0.112 0.010 0.456 203 Y N -1.702 118.620 120.300 0.037 0.000 2.242 203 Y HA -0.315 nan 4.550 nan 0.000 0.291 203 Y C 2.175 178.111 175.900 0.060 0.000 1.137 203 Y CA 1.421 59.534 58.100 0.021 0.000 1.181 203 Y CB -0.609 37.834 38.460 -0.028 0.000 0.989 203 Y HN -0.490 7.634 8.280 -0.261 0.000 0.527 204 F N 1.269 121.260 119.950 0.068 0.000 2.075 204 F HA -0.464 nan 4.527 nan 0.000 0.297 204 F C 2.274 178.098 175.800 0.040 0.000 1.113 204 F CA 3.841 61.867 58.000 0.043 0.000 1.218 204 F CB -0.121 38.895 39.000 0.027 0.000 0.984 204 F HN 0.175 8.534 8.300 0.222 0.075 0.472 205 H N -0.681 118.431 119.070 0.070 0.000 2.422 205 H HA -0.256 nan 4.556 nan 0.000 0.298 205 H C 1.595 176.879 175.328 -0.074 0.000 1.098 205 H CA 3.468 59.493 56.048 -0.038 0.000 1.315 205 H CB -0.027 29.762 29.762 0.045 0.000 1.382 205 H HN 0.216 8.503 8.280 0.192 0.108 0.523 206 R N -4.170 116.396 120.500 0.109 0.000 2.320 206 R HA 0.008 nan 4.340 nan 0.000 0.211 206 R C 0.605 176.907 176.300 0.004 0.000 0.931 206 R CA -0.173 55.967 56.100 0.067 0.000 1.071 206 R CB 0.332 30.703 30.300 0.118 0.000 1.025 206 R HN -0.474 7.773 8.270 0.169 0.124 0.495 207 G N -3.352 105.405 108.800 -0.073 0.000 2.231 207 G HA2 -0.237 nan 3.960 nan 0.000 0.206 207 G HA3 -0.237 nan 3.960 nan 0.000 0.206 207 G C -0.496 174.380 174.900 -0.039 0.000 0.996 207 G CA -0.503 44.545 45.100 -0.086 0.000 0.645 207 G HN -0.253 7.757 8.290 -0.140 0.195 0.498 208 A N 1.145 123.981 122.820 0.028 0.000 2.366 208 A HA 0.044 nan 4.320 nan 0.000 0.249 208 A C -0.739 176.979 177.584 0.224 0.000 1.084 208 A CA -0.040 52.050 52.037 0.089 0.000 0.794 208 A CB 1.041 20.091 19.000 0.083 0.000 1.034 208 A HN -0.223 7.957 8.150 0.050 0.000 0.491 209 K N -0.481 120.051 120.400 0.221 0.000 2.174 209 K HA 0.136 nan 4.320 nan 0.000 0.275 209 K C -1.893 174.948 176.600 0.402 0.000 1.015 209 K CA -0.762 55.716 56.287 0.318 0.000 0.933 209 K CB 1.635 34.261 32.500 0.209 0.000 1.025 209 K HN 0.471 8.804 8.250 0.138 0.000 0.463 210 W N 3.191 124.599 121.300 0.179 0.000 2.619 210 W HA 0.503 nan 4.660 nan 0.000 0.327 210 W C -1.360 175.158 176.519 -0.002 0.000 1.027 210 W CA -1.908 55.469 57.345 0.053 0.000 1.233 210 W CB 1.349 30.771 29.460 -0.063 0.000 1.370 210 W HN 0.087 8.562 8.180 0.491 0.000 0.453 211 T N 9.271 124.011 114.554 0.310 0.000 2.861 211 T HA 0.422 nan 4.350 nan 0.000 0.287 211 T C -1.645 173.054 174.700 -0.002 0.000 1.003 211 T CA -0.306 61.832 62.100 0.063 0.000 0.977 211 T CB 3.259 72.200 68.868 0.122 0.000 0.996 211 T HN 0.493 8.996 8.240 0.438 0.000 0.448 212 T N 1.030 115.471 114.554 -0.189 0.000 2.809 212 T HA 0.596 nan 4.350 nan 0.000 0.296 212 T C -0.311 174.158 174.700 -0.383 0.000 1.015 212 T CA -2.601 59.343 62.100 -0.260 0.000 0.954 212 T CB 0.613 69.273 68.868 -0.346 0.000 0.950 212 T HN 0.221 8.315 8.240 -0.243 0.000 0.450 213 A N 6.798 129.298 122.820 -0.534 0.000 2.448 213 A HA 0.269 nan 4.320 nan 0.000 0.239 213 A C -1.363 175.731 177.584 -0.816 0.000 1.080 213 A CA -1.341 50.074 52.037 -1.036 0.000 0.779 213 A CB -0.476 17.875 19.000 -1.081 0.000 1.026 213 A HN 0.175 8.068 8.150 -0.429 0.000 0.499 214 P HA -0.095 nan 4.420 nan 0.000 0.261 214 P C -1.895 175.132 177.300 -0.455 0.000 1.183 214 P CA 0.164 62.947 63.100 -0.529 0.000 0.761 214 P CB 0.443 31.875 31.700 -0.446 0.000 0.785 215 K N 5.783 125.963 120.400 -0.368 0.000 2.349 215 K HA 0.188 nan 4.320 nan 0.000 0.288 215 K C -1.648 174.856 176.600 -0.160 0.000 1.058 215 K CA -1.410 54.673 56.287 -0.339 0.000 0.953 215 K CB -0.225 32.044 32.500 -0.384 0.000 0.997 215 K HN 0.055 8.106 8.250 -0.332 0.000 0.477 216 P HA 0.132 nan 4.420 nan 0.000 0.273 216 P C -1.239 176.182 177.300 0.203 0.000 1.250 216 P CA -0.721 62.386 63.100 0.012 0.000 0.793 216 P CB 1.007 32.711 31.700 0.007 0.000 1.011 217 T N -4.590 110.077 114.554 0.188 0.000 2.978 217 T HA 0.003 nan 4.350 nan 0.000 0.262 217 T C 0.661 175.569 174.700 0.347 0.000 1.063 217 T CA 0.511 62.773 62.100 0.270 0.000 1.140 217 T CB 0.391 69.402 68.868 0.239 0.000 0.886 217 T HN 0.148 8.995 8.240 0.116 -0.537 0.470 218 M N -2.276 117.476 119.600 0.254 0.000 2.732 218 M HA -0.496 nan 4.480 nan 0.000 0.207 218 M C -1.226 175.193 176.300 0.199 0.000 0.513 218 M CA 0.525 55.922 55.300 0.163 0.000 0.652 218 M CB -1.824 30.799 32.600 0.039 0.000 2.410 218 M HN -0.220 8.469 8.290 0.213 -0.271 0.660 219 A N -1.843 121.111 122.820 0.224 0.000 2.332 219 A HA 0.019 nan 4.320 nan 0.000 0.258 219 A C 0.787 178.414 177.584 0.072 0.000 1.087 219 A CA -0.421 51.716 52.037 0.167 0.000 0.802 219 A CB 0.836 19.931 19.000 0.158 0.000 1.042 219 A HN -0.812 7.484 8.150 0.280 0.022 0.489 220 D N 2.039 122.474 120.400 0.058 0.000 2.191 220 D HA -0.459 nan 4.640 nan 0.000 0.195 220 D C 2.154 178.406 176.300 -0.079 0.000 1.003 220 D CA 3.950 57.986 54.000 0.061 0.000 0.867 220 D CB -0.519 40.279 40.800 -0.002 0.000 0.926 220 D HN 0.737 9.144 8.370 0.061 0.000 0.450 221 E N -0.812 119.189 120.200 -0.331 0.000 2.267 221 E HA -0.232 nan 4.350 nan 0.000 0.197 221 E C 1.908 178.200 176.600 -0.513 0.000 0.998 221 E CA 2.340 58.361 56.400 -0.632 0.000 0.830 221 E CB -0.646 28.171 29.700 -1.473 0.000 0.751 221 E HN 0.366 8.508 8.360 -0.315 0.028 0.491 222 L N -1.610 119.371 121.223 -0.403 0.000 2.418 222 L HA -0.128 nan 4.340 nan 0.000 0.218 222 L C -1.300 175.189 176.870 -0.635 0.000 1.125 222 L CA 0.772 55.350 54.840 -0.437 0.000 0.835 222 L CB 0.824 42.528 42.059 -0.591 0.000 0.953 222 L HN 0.136 7.981 8.230 -0.346 0.177 0.454 223 Y N -3.809 116.453 120.300 -0.063 0.000 2.429 223 Y HA 0.230 nan 4.550 nan 0.000 0.342 223 Y C -0.735 175.126 175.900 -0.065 0.000 1.004 223 Y CA -2.008 56.047 58.100 -0.076 0.000 1.075 223 Y CB 1.620 40.009 38.460 -0.119 0.000 1.214 223 Y HN -0.173 7.842 8.280 -0.170 0.163 0.455 224 N N 4.093 122.855 118.700 0.104 0.000 2.605 224 N HA -0.037 nan 4.740 nan 0.000 0.258 224 N C 0.669 176.231 175.510 0.086 0.000 1.156 224 N CA -0.023 53.081 53.050 0.089 0.000 1.008 224 N CB -0.276 38.292 38.487 0.135 0.000 1.354 224 N HN 0.446 8.779 8.380 0.100 0.107 0.509 225 Q N 2.056 121.886 119.800 0.049 0.000 2.217 225 Q HA -0.299 nan 4.340 nan 0.000 0.209 225 Q C -0.183 175.828 176.000 0.018 0.000 0.988 225 Q CA 2.352 58.163 55.803 0.014 0.000 0.878 225 Q CB -0.370 28.366 28.738 -0.003 0.000 0.909 225 Q HN 0.027 8.322 8.270 0.041 0.000 0.424 226 D N -4.528 115.898 120.400 0.044 0.000 3.035 226 D HA 0.078 nan 4.640 nan 0.000 0.290 226 D C -1.582 174.759 176.300 0.070 0.000 1.360 226 D CA -1.060 52.961 54.000 0.036 0.000 0.862 226 D CB -1.549 39.265 40.800 0.024 0.000 1.078 226 D HN -0.105 8.272 8.370 0.054 0.025 0.487 227 Y N 1.995 122.266 120.300 -0.048 0.000 2.304 227 Y HA 0.187 nan 4.550 nan 0.000 0.327 227 Y C -1.321 174.530 175.900 -0.082 0.000 1.209 227 Y CA -2.450 55.630 58.100 -0.033 0.000 1.299 227 Y CB 1.069 39.524 38.460 -0.009 0.000 1.249 227 Y HN -0.482 7.837 8.280 0.170 0.063 0.519 228 P HA -0.017 nan 4.420 nan 0.000 0.246 228 P C -1.024 176.115 177.300 -0.269 0.000 1.675 228 P CA 0.047 62.949 63.100 -0.330 0.000 0.908 228 P CB -1.809 29.697 31.700 -0.323 0.000 1.890 229 I N 0.209 120.632 120.570 -0.244 0.000 2.107 229 I HA -0.520 nan 4.170 nan 0.000 0.204 229 I C 1.739 177.939 176.117 0.138 0.000 1.033 229 I CA 2.653 63.969 61.300 0.026 0.000 1.346 229 I CB -1.070 36.943 38.000 0.021 0.000 1.111 229 I HN 0.348 8.281 8.210 -0.307 0.093 0.395 230 H N -3.551 115.624 119.070 0.175 0.000 2.450 230 H HA -0.383 nan 4.556 nan 0.000 0.262 230 H C -0.598 174.656 175.328 -0.123 0.000 1.142 230 H CA 1.329 57.364 56.048 -0.022 0.000 0.994 230 H CB -0.537 29.204 29.762 -0.035 0.000 1.347 230 H HN 0.273 8.496 8.280 -0.095 0.000 0.465 231 S N -4.676 111.202 115.700 0.297 0.000 3.169 231 S HA -0.184 nan 4.470 nan 0.000 0.226 231 S C -1.089 173.576 174.600 0.109 0.000 0.462 231 S CA 0.247 58.513 58.200 0.110 0.000 0.600 231 S CB 0.649 63.836 63.200 -0.021 0.000 0.733 231 S HN -0.501 8.054 8.310 0.557 0.089 0.704 232 V N 4.223 124.188 119.914 0.086 0.000 3.113 232 V HA 0.061 nan 4.120 nan 0.000 0.252 232 V C 0.416 176.529 176.094 0.032 0.000 1.681 232 V CA 0.709 63.035 62.300 0.044 0.000 1.042 232 V CB 0.443 32.301 31.823 0.059 0.000 0.922 232 V HN 0.677 8.918 8.190 0.084 0.000 0.407 233 E N -1.956 118.271 120.200 0.047 0.000 4.074 233 E HA -0.457 nan 4.350 nan 0.000 0.282 233 E C 1.061 177.734 176.600 0.122 0.000 0.675 233 E CA 2.491 58.946 56.400 0.091 0.000 1.151 233 E CB -1.514 28.261 29.700 0.124 0.000 1.639 233 E HN 0.570 8.960 8.360 0.050 0.000 0.409 234 D N -1.690 118.746 120.400 0.061 0.000 2.392 234 D HA -0.184 nan 4.640 nan 0.000 0.228 234 D C 0.451 176.767 176.300 0.027 0.000 1.003 234 D CA 1.969 56.002 54.000 0.056 0.000 0.917 234 D CB -1.013 39.796 40.800 0.015 0.000 0.890 234 D HN 0.400 8.696 8.370 0.033 0.094 0.532 235 R N -2.589 117.897 120.500 -0.022 0.000 2.293 235 R HA -0.293 nan 4.340 nan 0.000 0.219 235 R C 1.821 178.129 176.300 0.013 0.000 1.091 235 R CA 2.233 58.280 56.100 -0.088 0.000 1.004 235 R CB -1.299 28.906 30.300 -0.158 0.000 0.865 235 R HN 0.080 8.267 8.270 -0.025 0.068 0.469 236 H N 0.857 119.952 119.070 0.042 0.000 2.395 236 H HA -0.179 nan 4.556 nan 0.000 0.299 236 H C 1.715 177.062 175.328 0.032 0.000 1.070 236 H CA 3.539 59.631 56.048 0.073 0.000 1.356 236 H CB 0.221 30.028 29.762 0.076 0.000 1.401 236 H HN 0.095 8.298 8.280 0.170 0.179 0.524 237 K N 0.252 120.732 120.400 0.132 0.000 2.025 237 K HA -0.304 nan 4.320 nan 0.000 0.207 237 K C 2.312 178.913 176.600 0.002 0.000 1.049 237 K CA 3.084 59.403 56.287 0.052 0.000 0.933 237 K CB -0.170 32.346 32.500 0.027 0.000 0.714 237 K HN -0.211 7.954 8.250 0.129 0.162 0.438 238 L N -1.777 119.424 121.223 -0.036 0.000 2.046 238 L HA -0.290 nan 4.340 nan 0.000 0.208 238 L C 2.227 178.967 176.870 -0.216 0.000 1.077 238 L CA 2.343 57.123 54.840 -0.100 0.000 0.747 238 L CB -1.056 40.948 42.059 -0.092 0.000 0.896 238 L HN -0.603 7.611 8.230 -0.027 0.000 0.432 239 A N -1.018 121.675 122.820 -0.212 0.000 1.917 239 A HA -0.363 nan 4.320 nan 0.000 0.219 239 A C 2.386 179.963 177.584 -0.011 0.000 1.182 239 A CA 3.114 55.013 52.037 -0.231 0.000 0.633 239 A CB -1.079 17.997 19.000 0.127 0.000 0.819 239 A HN 0.133 8.108 8.150 -0.101 0.114 0.448 240 A N -2.256 120.588 122.820 0.040 0.000 1.969 240 A HA -0.180 nan 4.320 nan 0.000 0.218 240 A C 1.362 178.952 177.584 0.011 0.000 1.169 240 A CA 2.308 54.368 52.037 0.038 0.000 0.635 240 A CB -0.377 18.635 19.000 0.020 0.000 0.810 240 A HN 0.031 8.106 8.150 0.045 0.101 0.445 241 Q N -3.400 116.391 119.800 -0.016 0.000 2.403 241 Q HA 0.036 nan 4.340 nan 0.000 0.203 241 Q C 0.119 176.146 176.000 0.045 0.000 0.932 241 Q CA -0.750 55.053 55.803 -0.000 0.000 0.945 241 Q CB 0.455 29.184 28.738 -0.015 0.000 1.045 241 Q HN -0.498 7.605 8.270 -0.043 0.142 0.511 242 G N -1.297 107.533 108.800 0.050 0.000 2.176 242 G HA2 -0.387 nan 3.960 nan 0.000 0.252 242 G HA3 -0.387 nan 3.960 nan 0.000 0.252 242 G C -1.157 173.772 174.900 0.048 0.000 1.024 242 G CA 0.373 45.616 45.100 0.238 0.000 0.755 242 G HN -0.382 7.706 8.290 0.009 0.208 0.507 243 K N -0.130 120.047 120.400 -0.371 0.000 2.274 243 K HA 0.500 nan 4.320 nan 0.000 0.262 243 K C -1.284 174.892 176.600 -0.707 0.000 0.961 243 K CA -0.951 55.151 56.287 -0.308 0.000 0.833 243 K CB 1.502 33.952 32.500 -0.084 0.000 1.102 243 K HN -0.229 7.631 8.250 -0.439 0.126 0.436 244 F N 0.648 120.683 119.950 0.142 0.000 3.043 244 F HA 0.402 nan 4.527 nan 0.000 0.357 244 F C -0.034 175.587 175.800 -0.298 0.000 1.302 244 F CA -1.008 57.008 58.000 0.026 0.000 1.069 244 F CB 1.749 40.725 39.000 -0.039 0.000 1.539 244 F HN -0.316 8.072 8.300 0.147 0.000 0.505 245 V N -1.088 118.527 119.914 -0.498 0.000 3.217 245 V HA -0.081 nan 4.120 nan 0.000 0.264 245 V C -0.982 175.070 176.094 -0.069 0.000 1.135 245 V CA 0.931 62.921 62.300 -0.518 0.000 1.142 245 V CB 0.148 31.615 31.823 -0.594 0.000 0.754 245 V HN 0.287 8.624 8.190 -0.342 -0.352 0.484 246 T N -3.818 110.743 114.554 0.013 0.000 2.829 246 T HA 0.491 nan 4.350 nan 0.000 0.282 246 T C -0.026 174.695 174.700 0.036 0.000 0.990 246 T CA -2.611 59.492 62.100 0.004 0.000 1.028 246 T CB 1.552 70.426 68.868 0.009 0.000 0.951 246 T HN -0.464 7.768 8.240 0.050 0.038 0.460 247 T N 0.970 115.525 114.554 0.002 0.000 2.865 247 T HA 0.238 nan 4.350 nan 0.000 0.302 247 T C 0.643 175.406 174.700 0.105 0.000 1.078 247 T CA -1.506 60.634 62.100 0.065 0.000 0.942 247 T CB 0.767 69.664 68.868 0.049 0.000 1.387 247 T HN 0.830 8.902 8.240 -0.079 0.121 0.557 248 E N -1.179 119.107 120.200 0.145 0.000 2.496 248 E HA 0.251 nan 4.350 nan 0.000 0.202 248 E C -0.804 175.901 176.600 0.175 0.000 1.021 248 E CA -0.978 55.517 56.400 0.159 0.000 1.015 248 E CB -0.792 29.012 29.700 0.173 0.000 1.102 248 E HN 0.376 8.821 8.360 0.141 0.000 0.452 249 F N 1.595 121.545 119.950 -0.001 0.000 2.091 249 F HA -0.339 nan 4.527 nan 0.000 0.299 249 F C -0.416 175.384 175.800 -0.000 0.000 1.103 249 F CA 2.274 60.267 58.000 -0.011 0.000 1.228 249 F CB 1.045 40.014 39.000 -0.052 0.000 0.984 249 F HN -0.458 7.904 8.300 0.260 0.094 0.477 250 E N -4.850 115.270 120.200 -0.134 0.000 2.430 250 E HA 0.247 nan 4.350 nan 0.000 0.279 250 E C -2.833 173.731 176.600 -0.059 0.000 1.003 250 E CA -3.324 52.932 56.400 -0.240 0.000 0.801 250 E CB 0.982 30.440 29.700 -0.403 0.000 1.313 250 E HN -0.396 7.996 8.360 0.053 0.000 0.459 251 P HA 0.111 nan 4.420 nan 0.000 0.268 251 P C -1.612 175.694 177.300 0.011 0.000 1.205 251 P CA -0.154 62.974 63.100 0.047 0.000 0.771 251 P CB 0.624 32.353 31.700 0.048 0.000 0.858 252 C N -0.084 119.281 119.300 0.110 0.000 3.241 252 C HA 0.572 nan 4.460 nan 0.000 0.348 252 C C -2.353 172.779 174.990 0.236 0.000 1.180 252 C CA -2.220 56.819 59.018 0.035 0.000 1.273 252 C CB 3.112 30.855 27.740 0.006 0.000 1.620 252 C HN 0.134 8.494 8.230 0.217 0.000 0.510 253 F N -3.319 116.650 119.950 0.031 0.000 2.746 253 F HA 0.423 nan 4.527 nan 0.000 0.311 253 F C -3.277 172.580 175.800 0.094 0.000 1.135 253 F CA -0.747 57.316 58.000 0.106 0.000 0.954 253 F CB 1.667 40.829 39.000 0.269 0.000 1.276 253 F HN -0.267 7.874 8.300 -0.265 0.000 0.440 254 D N 1.449 122.063 120.400 0.356 0.000 2.168 254 D HA 0.439 nan 4.640 nan 0.000 0.246 254 D C 0.731 177.308 176.300 0.462 0.000 1.050 254 D CA -1.575 52.572 54.000 0.244 0.000 0.857 254 D CB 1.858 42.812 40.800 0.257 0.000 1.169 254 D HN -0.164 8.447 8.370 0.402 0.000 0.453 255 A N 4.630 127.633 122.820 0.305 0.000 1.978 255 A HA -0.233 nan 4.320 nan 0.000 0.220 255 A C 1.164 178.966 177.584 0.363 0.000 1.170 255 A CA 3.375 55.630 52.037 0.365 0.000 0.636 255 A CB -0.087 18.988 19.000 0.125 0.000 0.810 255 A HN 0.474 8.692 8.150 0.113 0.000 0.448 256 A N -3.597 119.314 122.820 0.152 0.000 2.216 256 A HA -0.189 nan 4.320 nan 0.000 0.214 256 A C 1.090 178.804 177.584 0.216 0.000 1.160 256 A CA 2.024 54.117 52.037 0.093 0.000 0.725 256 A CB -0.683 18.136 19.000 -0.303 0.000 0.784 256 A HN -0.243 7.903 8.150 0.027 0.020 0.472 257 D N -2.345 118.199 120.400 0.240 0.000 2.340 257 D HA 0.075 nan 4.640 nan 0.000 0.220 257 D C -0.814 175.350 176.300 -0.227 0.000 1.039 257 D CA 1.770 55.772 54.000 0.003 0.000 0.866 257 D CB 0.537 41.267 40.800 -0.116 0.000 0.913 257 D HN -0.532 7.977 8.370 0.361 0.077 0.523 258 F N -2.015 118.037 119.950 0.170 0.000 2.480 258 F HA 0.458 nan 4.527 nan 0.000 0.329 258 F C -0.610 175.329 175.800 0.231 0.000 1.091 258 F CA -0.637 57.469 58.000 0.178 0.000 0.972 258 F CB 2.599 41.660 39.000 0.101 0.000 1.150 258 F HN -0.597 7.883 8.300 0.423 0.073 0.467 259 I N 2.838 123.674 120.570 0.443 0.000 2.534 259 I HA 0.300 nan 4.170 nan 0.000 0.288 259 I C -2.417 173.982 176.117 0.470 0.000 1.077 259 I CA -1.240 60.316 61.300 0.426 0.000 1.051 259 I CB 4.379 42.625 38.000 0.409 0.000 1.234 259 I HN 0.738 9.230 8.210 0.470 0.000 0.425 260 R N 7.971 128.693 120.500 0.369 0.000 2.297 260 R HA 0.560 nan 4.340 nan 0.000 0.308 260 R C -1.490 175.030 176.300 0.367 0.000 1.029 260 R CA -1.112 55.188 56.100 0.334 0.000 0.929 260 R CB 1.010 31.424 30.300 0.189 0.000 1.046 260 R HN 0.105 8.836 8.270 0.317 -0.271 0.461 261 A N 3.265 126.391 122.820 0.511 0.000 3.253 261 A HA 0.384 nan 4.320 nan 0.000 0.290 261 A C -0.473 177.558 177.584 0.744 0.000 0.950 261 A CA -1.259 51.203 52.037 0.708 0.000 0.986 261 A CB 0.097 19.737 19.000 1.067 0.000 1.104 261 A HN 0.355 8.803 8.150 0.497 0.000 0.481 262 G N 3.301 112.422 108.800 0.534 0.000 2.536 262 G HA2 -0.449 nan 3.960 nan 0.000 0.277 262 G HA3 -0.449 nan 3.960 nan 0.000 0.277 262 G C 0.007 175.150 174.900 0.406 0.000 1.155 262 G CA 0.529 45.917 45.100 0.480 0.000 0.960 262 G HN 0.174 8.673 8.290 0.349 0.000 0.544 263 R N 2.320 122.940 120.500 0.201 0.000 2.316 263 R HA -0.107 nan 4.340 nan 0.000 0.202 263 R C -1.081 175.353 176.300 0.224 0.000 1.029 263 R CA 1.840 57.980 56.100 0.067 0.000 1.018 263 R CB 0.684 30.937 30.300 -0.078 0.000 0.888 263 R HN -0.121 8.222 8.270 0.122 0.000 0.471 264 D N -1.439 119.154 120.400 0.322 0.000 2.375 264 D HA 0.654 nan 4.640 nan 0.000 0.247 264 D C -1.866 174.544 176.300 0.183 0.000 1.061 264 D CA 0.320 54.480 54.000 0.266 0.000 0.834 264 D CB 2.414 43.340 40.800 0.210 0.000 1.247 264 D HN -0.697 7.846 8.370 0.392 0.062 0.489 265 I N 1.298 121.913 120.570 0.074 0.000 2.498 265 I HA 0.727 nan 4.170 nan 0.000 0.290 265 I C -1.549 174.536 176.117 -0.055 0.000 1.032 265 I CA -1.084 60.293 61.300 0.128 0.000 1.073 265 I CB 3.389 41.522 38.000 0.222 0.000 1.251 265 I HN 0.883 9.165 8.210 0.121 0.000 0.426 266 F N 5.779 125.980 119.950 0.418 0.000 2.443 266 F HA 0.759 nan 4.527 nan 0.000 0.335 266 F C -1.572 174.340 175.800 0.186 0.000 1.104 266 F CA -1.773 56.423 58.000 0.328 0.000 1.013 266 F CB 2.412 41.611 39.000 0.333 0.000 1.136 266 F HN 0.338 8.955 8.300 0.530 0.000 0.470 267 A N 1.918 124.848 122.820 0.184 0.000 2.413 267 A HA 0.918 nan 4.320 nan 0.000 0.307 267 A C -2.816 174.716 177.584 -0.087 0.000 1.087 267 A CA -1.774 50.133 52.037 -0.216 0.000 0.750 267 A CB 3.651 22.388 19.000 -0.440 0.000 1.296 267 A HN 1.044 9.252 8.150 0.257 0.096 0.423 268 Q N 0.005 119.693 119.800 -0.185 0.000 2.356 268 Q HA 0.395 nan 4.340 nan 0.000 0.270 268 Q C -1.532 174.358 176.000 -0.183 0.000 1.058 268 Q CA -1.511 54.257 55.803 -0.058 0.000 0.802 268 Q CB 3.392 32.197 28.738 0.111 0.000 1.303 268 Q HN -0.090 7.960 8.270 -0.367 0.000 0.444 269 R N 6.757 127.148 120.500 -0.182 0.000 2.296 269 R HA 0.065 nan 4.340 nan 0.000 0.323 269 R C -0.944 175.072 176.300 -0.474 0.000 1.067 269 R CA -0.313 55.584 56.100 -0.339 0.000 0.946 269 R CB -0.688 29.351 30.300 -0.436 0.000 0.991 269 R HN 0.459 8.682 8.270 -0.080 0.000 0.448 270 S N 4.082 119.465 115.700 -0.529 0.000 2.837 270 S HA 0.412 nan 4.470 nan 0.000 0.314 270 S C 0.433 174.572 174.600 -0.768 0.000 1.098 270 S CA -1.198 56.557 58.200 -0.741 0.000 0.903 270 S CB 2.788 65.769 63.200 -0.365 0.000 1.310 270 S HN 0.113 8.203 8.310 -0.367 0.000 0.581 271 Q N -1.434 118.065 119.800 -0.503 0.000 2.224 271 Q HA -0.005 nan 4.340 nan 0.000 0.203 271 Q C 1.965 177.935 176.000 -0.052 0.000 0.970 271 Q CA 2.475 58.165 55.803 -0.188 0.000 0.865 271 Q CB 0.501 29.209 28.738 -0.050 0.000 0.922 271 Q HN 0.370 8.380 8.270 -0.432 0.000 0.445 272 V N -10.616 109.256 119.914 -0.070 0.000 3.605 272 V HA 0.284 nan 4.120 nan 0.000 0.284 272 V C -0.062 176.062 176.094 0.050 0.000 1.386 272 V CA -0.810 61.510 62.300 0.032 0.000 1.053 272 V CB 0.416 32.234 31.823 -0.008 0.000 0.857 272 V HN -0.678 7.379 8.190 -0.159 0.038 0.436 273 T N 5.058 119.606 114.554 -0.010 0.000 2.833 273 T HA 0.296 nan 4.350 nan 0.000 0.297 273 T C -1.465 173.206 174.700 -0.048 0.000 1.015 273 T CA -0.193 61.941 62.100 0.056 0.000 0.963 273 T CB 0.584 69.468 68.868 0.028 0.000 0.955 273 T HN -0.681 7.378 8.240 -0.115 0.112 0.449 274 N N 5.989 124.706 118.700 0.028 0.000 2.478 274 N HA 0.478 nan 4.740 nan 0.000 0.275 274 N C 0.687 176.171 175.510 -0.044 0.000 1.221 274 N CA -1.851 51.174 53.050 -0.042 0.000 0.979 274 N CB 1.744 40.268 38.487 0.062 0.000 1.202 274 N HN -0.131 8.322 8.380 0.121 0.000 0.564 275 Y N -2.327 118.054 120.300 0.135 0.000 2.333 275 Y HA -0.263 nan 4.550 nan 0.000 0.290 275 Y C 2.252 178.229 175.900 0.128 0.000 1.144 275 Y CA 3.809 61.980 58.100 0.118 0.000 1.228 275 Y CB -0.055 38.467 38.460 0.102 0.000 0.985 275 Y HN 0.243 8.812 8.280 -0.061 -0.326 0.542 276 L N -1.295 120.087 121.223 0.265 0.000 2.056 276 L HA -0.385 nan 4.340 nan 0.000 0.207 276 L C 2.428 179.458 176.870 0.268 0.000 1.078 276 L CA 3.222 58.197 54.840 0.225 0.000 0.749 276 L CB -0.780 41.378 42.059 0.165 0.000 0.901 276 L HN 0.022 8.651 8.230 0.247 -0.251 0.433 277 G N -1.083 107.887 108.800 0.283 0.000 2.402 277 G HA2 -0.331 nan 3.960 nan 0.000 0.216 277 G HA3 -0.331 nan 3.960 nan 0.000 0.216 277 G C 1.379 176.428 174.900 0.248 0.000 1.162 277 G CA 2.004 47.355 45.100 0.418 0.000 0.777 277 G HN 0.012 8.332 8.290 0.235 0.111 0.539 278 I N 1.792 122.491 120.570 0.215 0.000 2.226 278 I HA -0.545 nan 4.170 nan 0.000 0.245 278 I C 1.334 177.558 176.117 0.180 0.000 1.100 278 I CA 3.871 65.300 61.300 0.214 0.000 1.374 278 I CB -0.130 37.971 38.000 0.169 0.000 1.057 278 I HN -0.081 8.250 8.210 0.202 0.000 0.413 279 E N 0.133 120.447 120.200 0.192 0.000 2.110 279 E HA -0.314 nan 4.350 nan 0.000 0.193 279 E C 1.778 178.441 176.600 0.105 0.000 0.988 279 E CA 2.803 59.284 56.400 0.134 0.000 0.804 279 E CB -0.657 29.127 29.700 0.141 0.000 0.745 279 E HN -0.091 8.405 8.360 0.226 0.000 0.458 280 W N 0.427 121.755 121.300 0.047 0.000 2.335 280 W HA -0.367 nan 4.660 nan 0.000 0.311 280 W C 2.144 178.665 176.519 0.004 0.000 1.213 280 W CA 4.045 61.415 57.345 0.042 0.000 1.274 280 W CB 0.105 29.619 29.460 0.090 0.000 1.148 280 W HN -0.103 8.218 8.180 0.364 0.078 0.498 281 M N -1.901 117.738 119.600 0.065 0.000 2.067 281 M HA -0.511 nan 4.480 nan 0.000 0.260 281 M C 2.322 178.515 176.300 -0.178 0.000 1.069 281 M CA 3.003 58.207 55.300 -0.159 0.000 1.117 281 M CB -1.080 31.295 32.600 -0.375 0.000 1.334 281 M HN -0.508 7.894 8.290 0.186 0.000 0.407 282 R N -1.061 119.388 120.500 -0.084 0.000 2.096 282 R HA -0.428 nan 4.340 nan 0.000 0.240 282 R C 2.275 178.496 176.300 -0.131 0.000 1.139 282 R CA 3.839 59.895 56.100 -0.074 0.000 0.952 282 R CB -0.084 30.198 30.300 -0.031 0.000 0.854 282 R HN 0.166 8.425 8.270 -0.018 0.000 0.436 283 R N -2.944 117.450 120.500 -0.177 0.000 2.115 283 R HA -0.225 nan 4.340 nan 0.000 0.230 283 R C 2.028 178.151 176.300 -0.296 0.000 1.111 283 R CA 2.667 58.640 56.100 -0.212 0.000 0.976 283 R CB -0.131 30.044 30.300 -0.208 0.000 0.870 283 R HN -0.173 8.004 8.270 -0.156 0.000 0.445 284 H N -1.861 116.863 119.070 -0.577 0.000 2.462 284 H HA -0.113 nan 4.556 nan 0.000 0.292 284 H C 0.899 176.043 175.328 -0.307 0.000 1.049 284 H CA 2.518 58.201 56.048 -0.609 0.000 1.334 284 H CB 0.664 29.739 29.762 -1.144 0.000 1.404 284 H HN -0.191 7.702 8.280 -0.494 0.091 0.544 285 L N -3.294 117.775 121.223 -0.256 0.000 2.554 285 L HA 0.100 nan 4.340 nan 0.000 0.225 285 L C -0.649 176.202 176.870 -0.032 0.000 1.104 285 L CA -0.322 54.434 54.840 -0.139 0.000 0.866 285 L CB 0.386 42.416 42.059 -0.049 0.000 1.047 285 L HN -0.199 7.913 8.230 -0.197 0.000 0.468 286 A N 0.776 123.540 122.820 -0.093 0.000 2.445 286 A HA 0.066 nan 4.320 nan 0.000 0.242 286 A C -1.459 176.076 177.584 -0.083 0.000 1.075 286 A CA -0.457 51.537 52.037 -0.072 0.000 0.777 286 A CB -0.889 18.057 19.000 -0.090 0.000 1.013 286 A HN -0.597 7.468 8.150 -0.141 0.000 0.493 287 P HA 0.137 nan 4.420 nan 0.000 0.245 287 P C 0.068 177.320 177.300 -0.079 0.000 1.203 287 P CA 0.408 63.469 63.100 -0.066 0.000 0.792 287 P CB 0.849 32.509 31.700 -0.066 0.000 0.997 288 D N -1.139 119.215 120.400 -0.078 0.000 2.117 288 D HA -0.129 nan 4.640 nan 0.000 0.197 288 D C -0.148 175.904 176.300 -0.413 0.000 0.987 288 D CA 2.591 56.454 54.000 -0.230 0.000 0.829 288 D CB 0.517 41.184 40.800 -0.223 0.000 0.961 288 D HN 0.068 8.417 8.370 -0.035 0.000 0.460 289 Y N -3.013 117.265 120.300 -0.037 0.000 2.429 289 Y HA 0.319 nan 4.550 nan 0.000 0.342 289 Y C -0.681 175.181 175.900 -0.063 0.000 1.004 289 Y CA -1.017 57.072 58.100 -0.019 0.000 1.075 289 Y CB 2.418 40.881 38.460 0.005 0.000 1.214 289 Y HN -0.640 7.752 8.280 0.187 0.000 0.455 290 R N 2.120 122.658 120.500 0.063 0.000 2.295 290 R HA 0.365 nan 4.340 nan 0.000 0.324 290 R C -1.878 174.283 176.300 -0.232 0.000 0.968 290 R CA -1.029 54.984 56.100 -0.145 0.000 0.837 290 R CB 1.567 31.747 30.300 -0.199 0.000 1.133 290 R HN 0.765 9.111 8.270 0.125 0.000 0.450 291 V N 4.880 124.647 119.914 -0.244 0.000 2.407 291 V HA 0.410 nan 4.120 nan 0.000 0.278 291 V C -0.828 175.097 176.094 -0.282 0.000 1.037 291 V CA -0.830 61.400 62.300 -0.118 0.000 0.900 291 V CB 0.718 32.562 31.823 0.036 0.000 0.983 291 V HN 0.534 8.600 8.190 -0.207 0.000 0.459 292 H N 5.689 124.710 119.070 -0.082 0.000 2.621 292 H HA 0.429 nan 4.556 nan 0.000 0.360 292 H C -1.158 174.223 175.328 0.088 0.000 1.163 292 H CA -2.438 53.599 56.048 -0.017 0.000 1.194 292 H CB 3.336 33.063 29.762 -0.057 0.000 1.649 292 H HN 0.791 9.125 8.280 0.090 0.000 0.532 293 I N 2.915 123.619 120.570 0.223 0.000 2.412 293 I HA 0.604 nan 4.170 nan 0.000 0.296 293 I C -0.782 175.424 176.117 0.149 0.000 0.987 293 I CA -0.640 60.764 61.300 0.173 0.000 1.180 293 I CB 1.408 39.512 38.000 0.173 0.000 1.340 293 I HN 0.294 8.622 8.210 0.196 0.000 0.455 294 I N 2.407 123.022 120.570 0.076 0.000 2.865 294 I HA 0.610 nan 4.170 nan 0.000 0.302 294 I C -2.389 173.559 176.117 -0.282 0.000 1.140 294 I CA -1.938 59.291 61.300 -0.119 0.000 1.021 294 I CB 3.384 41.267 38.000 -0.196 0.000 1.233 294 I HN 0.746 9.008 8.210 0.087 0.000 0.427 295 S N 0.074 115.494 115.700 -0.466 0.000 2.667 295 S HA 0.349 nan 4.470 nan 0.000 0.292 295 S C -1.479 172.554 174.600 -0.944 0.000 1.126 295 S CA -1.618 56.361 58.200 -0.369 0.000 0.881 295 S CB 3.423 66.721 63.200 0.165 0.000 1.132 295 S HN 0.190 8.431 8.310 -0.423 -0.185 0.492 296 F N -2.343 117.546 119.950 -0.102 0.000 2.664 296 F HA 0.411 nan 4.527 nan 0.000 0.317 296 F C -1.042 174.646 175.800 -0.186 0.000 1.108 296 F CA -1.113 56.692 58.000 -0.325 0.000 0.957 296 F CB 4.336 43.245 39.000 -0.150 0.000 1.365 296 F HN -0.190 8.206 8.300 0.161 0.000 0.475 297 K N 1.438 121.855 120.400 0.030 0.000 2.292 297 K HA -0.090 nan 4.320 nan 0.000 0.290 297 K C -1.569 175.196 176.600 0.274 0.000 1.083 297 K CA 0.374 56.794 56.287 0.221 0.000 0.918 297 K CB 0.439 33.037 32.500 0.163 0.000 1.089 297 K HN 0.150 8.398 8.250 -0.004 0.000 0.473 298 D N 5.432 126.026 120.400 0.324 0.000 2.614 298 D HA 0.090 nan 4.640 nan 0.000 0.203 298 D C -1.600 174.771 176.300 0.117 0.000 1.312 298 D CA -2.459 51.668 54.000 0.212 0.000 0.889 298 D CB 2.444 43.350 40.800 0.178 0.000 1.615 298 D HN -0.235 8.369 8.370 0.391 0.000 0.567 299 P HA -0.013 nan 4.420 nan 0.000 0.249 299 P C -1.598 175.778 177.300 0.127 0.000 1.229 299 P CA 0.238 63.217 63.100 -0.200 0.000 0.788 299 P CB 0.760 32.184 31.700 -0.459 0.000 1.072 300 N N -1.187 117.614 118.700 0.168 0.000 2.700 300 N HA 0.240 nan 4.740 nan 0.000 0.242 300 N C -3.057 172.515 175.510 0.103 0.000 1.541 300 N CA -1.415 51.750 53.050 0.191 0.000 0.764 300 N CB 1.778 40.399 38.487 0.222 0.000 1.319 300 N HN -0.353 8.323 8.380 0.140 -0.212 0.518 301 P HA 0.097 nan 4.420 nan 0.000 0.280 301 P C -1.986 175.217 177.300 -0.162 0.000 1.244 301 P CA -0.401 62.658 63.100 -0.068 0.000 0.784 301 P CB 0.856 32.483 31.700 -0.123 0.000 0.913 302 M N 4.139 123.632 119.600 -0.178 0.000 2.331 302 M HA 0.040 nan 4.480 nan 0.000 0.228 302 M C -2.185 173.885 176.300 -0.382 0.000 0.986 302 M CA 0.532 55.612 55.300 -0.367 0.000 0.972 302 M CB 1.613 33.955 32.600 -0.430 0.000 2.359 302 M HN -0.007 8.211 8.290 -0.120 0.000 0.459 303 H N -0.342 118.696 119.070 -0.053 0.000 4.744 303 H HA -0.193 nan 4.556 nan 0.000 0.269 303 H C -1.385 173.930 175.328 -0.022 0.000 0.559 303 H CA 0.183 56.221 56.048 -0.016 0.000 0.714 303 H CB -0.418 29.342 29.762 -0.003 0.000 0.942 303 H HN 0.006 8.550 8.280 -0.131 -0.343 0.311 304 I N 1.442 122.094 120.570 0.137 0.000 3.941 304 I HA 0.080 nan 4.170 nan 0.000 0.321 304 I C -0.401 175.737 176.117 0.034 0.000 1.284 304 I CA -0.550 60.778 61.300 0.046 0.000 1.226 304 I CB 1.672 39.739 38.000 0.112 0.000 1.045 304 I HN 0.464 8.678 8.210 0.185 0.106 0.420 305 D N 1.258 121.714 120.400 0.094 0.000 2.371 305 D HA -0.186 nan 4.640 nan 0.000 0.234 305 D C -0.813 175.503 176.300 0.026 0.000 1.049 305 D CA 0.924 54.946 54.000 0.036 0.000 0.907 305 D CB -1.200 39.677 40.800 0.129 0.000 0.891 305 D HN -0.328 8.136 8.370 0.156 0.000 0.531 306 A N -5.130 117.708 122.820 0.030 0.000 2.610 306 A HA 0.290 nan 4.320 nan 0.000 0.291 306 A C -0.525 177.018 177.584 -0.068 0.000 1.116 306 A CA -0.188 51.882 52.037 0.054 0.000 0.963 306 A CB 0.957 20.039 19.000 0.136 0.000 1.220 306 A HN -0.136 7.952 8.150 0.017 0.072 0.530 307 T N 0.451 114.905 114.554 -0.168 0.000 3.340 307 T HA 0.262 nan 4.350 nan 0.000 0.272 307 T C -1.515 173.002 174.700 -0.305 0.000 0.965 307 T CA 1.858 63.741 62.100 -0.362 0.000 1.040 307 T CB 3.063 71.578 68.868 -0.589 0.000 1.183 307 T HN -0.259 7.832 8.240 -0.119 0.078 0.478 308 F N 2.599 122.317 119.950 -0.387 0.000 2.931 308 F HA 0.363 nan 4.527 nan 0.000 0.375 308 F C -2.805 172.913 175.800 -0.136 0.000 1.243 308 F CA -0.867 56.983 58.000 -0.250 0.000 1.206 308 F CB 1.773 40.669 39.000 -0.174 0.000 1.643 308 F HN 0.182 8.420 8.300 -0.104 0.000 0.593 309 N N 5.996 124.550 118.700 -0.243 0.000 2.439 309 N HA 0.257 nan 4.740 nan 0.000 0.249 309 N C -0.994 174.358 175.510 -0.262 0.000 1.003 309 N CA -1.276 51.649 53.050 -0.208 0.000 0.942 309 N CB 1.960 40.353 38.487 -0.155 0.000 1.115 309 N HN 0.025 8.248 8.380 -0.261 0.000 0.505 310 I N 6.245 126.712 120.570 -0.172 0.000 2.379 310 I HA -0.100 nan 4.170 nan 0.000 0.290 310 I C -0.287 175.823 176.117 -0.011 0.000 1.063 310 I CA 1.009 62.230 61.300 -0.132 0.000 1.351 310 I CB -0.082 37.989 38.000 0.118 0.000 1.410 310 I HN 0.404 8.572 8.210 -0.069 0.000 0.505 311 I N 0.822 121.303 120.570 -0.149 0.000 4.025 311 I HA 0.301 nan 4.170 nan 0.000 0.336 311 I C -0.944 175.016 176.117 -0.261 0.000 1.390 311 I CA -1.233 60.026 61.300 -0.069 0.000 1.099 311 I CB 1.285 39.274 38.000 -0.018 0.000 1.049 311 I HN -0.120 7.928 8.210 -0.269 0.000 0.394 312 G N -0.990 107.336 108.800 -0.790 0.000 2.451 312 G HA2 0.277 nan 3.960 nan 0.000 0.292 312 G HA3 0.277 nan 3.960 nan 0.000 0.292 312 G C -3.530 170.110 174.900 -2.099 0.000 1.427 312 G CA -0.336 43.926 45.100 -1.396 0.000 0.792 312 G HN -0.860 6.938 8.290 -0.821 0.000 0.498 313 P HA -0.063 nan 4.420 nan 0.000 0.267 313 P C -0.577 176.125 177.300 -0.996 0.000 1.328 313 P CA 0.128 62.413 63.100 -1.358 0.000 0.990 313 P CB -0.892 30.424 31.700 -0.641 0.000 1.168 314 G N 3.909 111.870 108.800 -1.398 0.000 2.132 314 G HA2 -0.343 nan 3.960 nan 0.000 0.234 314 G HA3 -0.343 nan 3.960 nan 0.000 0.234 314 G C -1.504 172.752 174.900 -1.074 0.000 0.989 314 G CA 0.142 44.246 45.100 -1.661 0.000 0.676 314 G HN -0.014 7.292 8.290 -1.640 0.000 0.522 315 I N -0.946 119.050 120.570 -0.956 0.000 2.533 315 I HA 0.801 nan 4.170 nan 0.000 0.290 315 I C -2.251 173.557 176.117 -0.516 0.000 1.056 315 I CA -0.523 60.443 61.300 -0.556 0.000 1.057 315 I CB 2.778 40.518 38.000 -0.433 0.000 1.240 315 I HN -0.534 6.891 8.210 -1.150 0.094 0.423 316 V N 6.309 125.990 119.914 -0.388 0.000 2.971 316 V HA 0.717 nan 4.120 nan 0.000 0.309 316 V C -2.636 173.223 176.094 -0.392 0.000 1.130 316 V CA -2.193 59.817 62.300 -0.484 0.000 0.964 316 V CB 4.676 36.005 31.823 -0.822 0.000 1.029 316 V HN 0.514 8.527 8.190 -0.294 0.000 0.427 317 L N 6.853 127.850 121.223 -0.376 0.000 2.257 317 L HA 0.696 nan 4.340 nan 0.000 0.290 317 L C -1.750 174.946 176.870 -0.289 0.000 1.044 317 L CA -1.313 53.374 54.840 -0.254 0.000 0.810 317 L CB 0.784 42.757 42.059 -0.143 0.000 1.193 317 L HN 0.658 8.527 8.230 -0.416 0.112 0.425 318 S N 4.670 120.248 115.700 -0.203 0.000 2.433 318 S HA 0.178 nan 4.470 nan 0.000 0.310 318 S C -1.107 173.380 174.600 -0.189 0.000 1.097 318 S CA -1.885 56.247 58.200 -0.113 0.000 1.103 318 S CB 1.328 64.542 63.200 0.023 0.000 0.992 318 S HN 0.317 8.524 8.310 -0.173 0.000 0.469 319 N N 8.876 127.398 118.700 -0.297 0.000 2.440 319 N HA 0.091 nan 4.740 nan 0.000 0.265 319 N C -0.391 174.846 175.510 -0.456 0.000 1.239 319 N CA -1.214 51.485 53.050 -0.586 0.000 0.909 319 N CB 0.794 38.865 38.487 -0.693 0.000 1.066 319 N HN 0.103 8.330 8.380 -0.255 0.000 0.474 320 P HA -0.227 nan 4.420 nan 0.000 0.216 320 P C -0.432 176.785 177.300 -0.138 0.000 1.150 320 P CA 2.323 65.311 63.100 -0.186 0.000 0.843 320 P CB -0.056 31.612 31.700 -0.053 0.000 0.787 321 D N -6.098 114.165 120.400 -0.229 0.000 2.323 321 D HA -0.028 nan 4.640 nan 0.000 0.209 321 D C 0.257 176.521 176.300 -0.061 0.000 0.973 321 D CA 0.947 54.901 54.000 -0.076 0.000 0.874 321 D CB -0.375 40.428 40.800 0.006 0.000 0.930 321 D HN 0.073 8.144 8.370 -0.477 0.013 0.521 322 R N -0.726 119.688 120.500 -0.144 0.000 2.724 322 R HA 0.437 nan 4.340 nan 0.000 0.284 322 R C -2.839 173.479 176.300 0.031 0.000 1.481 322 R CA -2.757 53.308 56.100 -0.058 0.000 1.652 322 R CB 0.664 30.858 30.300 -0.177 0.000 1.175 322 R HN -0.528 7.415 8.270 -0.253 0.175 0.613 323 P HA -0.011 nan 4.420 nan 0.000 0.271 323 P C -1.546 175.786 177.300 0.054 0.000 1.218 323 P CA -0.672 62.469 63.100 0.069 0.000 0.780 323 P CB 0.857 32.572 31.700 0.024 0.000 0.901 324 C N 2.776 122.116 119.300 0.066 0.000 2.415 324 C HA 0.240 nan 4.460 nan 0.000 0.369 324 C C 1.968 176.808 174.990 -0.250 0.000 1.279 324 C CA -1.165 57.695 59.018 -0.264 0.000 1.886 324 C CB -0.056 27.558 27.740 -0.210 0.000 2.468 324 C HN 0.548 8.852 8.230 0.123 0.000 0.553 325 H N 7.736 126.693 119.070 -0.190 0.000 2.456 325 H HA -0.276 nan 4.556 nan 0.000 0.296 325 H C 1.006 176.279 175.328 -0.092 0.000 1.079 325 H CA 2.432 58.419 56.048 -0.102 0.000 1.322 325 H CB 0.044 29.749 29.762 -0.095 0.000 1.388 325 H HN 0.514 8.358 8.280 -0.726 0.000 0.538 326 Q N -2.655 117.123 119.800 -0.038 0.000 2.201 326 Q HA 0.146 nan 4.340 nan 0.000 0.236 326 Q C 0.374 176.382 176.000 0.014 0.000 0.857 326 Q CA -1.104 54.673 55.803 -0.043 0.000 1.025 326 Q CB -0.838 27.840 28.738 -0.099 0.000 1.124 326 Q HN -0.575 7.561 8.270 -0.158 0.040 0.473 327 I N 1.592 122.210 120.570 0.080 0.000 2.502 327 I HA -0.520 nan 4.170 nan 0.000 0.258 327 I C -0.188 176.025 176.117 0.161 0.000 1.172 327 I CA 2.437 63.862 61.300 0.209 0.000 1.430 327 I CB 0.207 38.296 38.000 0.148 0.000 1.086 327 I HN -0.602 7.563 8.210 0.038 0.068 0.440 328 D N -0.606 119.816 120.400 0.038 0.000 2.219 328 D HA -0.281 nan 4.640 nan 0.000 0.205 328 D C 2.176 178.415 176.300 -0.102 0.000 0.970 328 D CA 3.774 57.768 54.000 -0.010 0.000 0.851 328 D CB -0.289 40.499 40.800 -0.021 0.000 0.943 328 D HN 0.012 8.356 8.370 0.022 0.039 0.488 329 L N 0.205 121.277 121.223 -0.252 0.000 2.042 329 L HA -0.312 nan 4.340 nan 0.000 0.210 329 L C 1.183 177.724 176.870 -0.548 0.000 1.076 329 L CA 3.498 58.048 54.840 -0.483 0.000 0.749 329 L CB -0.401 41.174 42.059 -0.805 0.000 0.893 329 L HN -0.334 7.737 8.230 -0.227 0.023 0.432 330 F N -3.371 116.444 119.950 -0.224 0.000 2.163 330 F HA -0.324 nan 4.527 nan 0.000 0.297 330 F C 2.009 177.767 175.800 -0.070 0.000 1.094 330 F CA 3.728 61.565 58.000 -0.273 0.000 1.290 330 F CB -0.677 38.233 39.000 -0.150 0.000 1.017 330 F HN -0.963 7.130 8.300 -0.336 0.006 0.483 331 K N -0.908 119.583 120.400 0.153 0.000 2.057 331 K HA -0.357 nan 4.320 nan 0.000 0.207 331 K C 2.967 179.611 176.600 0.074 0.000 1.049 331 K CA 3.452 59.813 56.287 0.123 0.000 0.931 331 K CB -0.517 32.036 32.500 0.089 0.000 0.714 331 K HN -0.039 8.305 8.250 0.157 0.000 0.440 332 K N -0.602 119.805 120.400 0.011 0.000 2.147 332 K HA -0.212 nan 4.320 nan 0.000 0.205 332 K C 1.750 178.353 176.600 0.004 0.000 1.049 332 K CA 2.407 58.690 56.287 -0.007 0.000 0.936 332 K CB -0.246 32.226 32.500 -0.046 0.000 0.722 332 K HN -0.070 8.169 8.250 -0.017 0.000 0.446 333 A N -4.211 118.593 122.820 -0.027 0.000 2.206 333 A HA 0.083 nan 4.320 nan 0.000 0.211 333 A C 0.129 177.846 177.584 0.222 0.000 1.158 333 A CA -0.216 51.832 52.037 0.019 0.000 0.761 333 A CB -0.115 18.758 19.000 -0.212 0.000 0.801 333 A HN -0.524 7.450 8.150 -0.081 0.127 0.473 334 G N -2.134 106.797 108.800 0.217 0.000 2.182 334 G HA2 -0.272 nan 3.960 nan 0.000 0.248 334 G HA3 -0.272 nan 3.960 nan 0.000 0.248 334 G C -0.356 174.768 174.900 0.372 0.000 1.042 334 G CA 0.069 45.316 45.100 0.245 0.000 0.775 334 G HN -0.521 7.665 8.290 0.148 0.193 0.501 335 W N -0.991 120.359 121.300 0.083 0.000 2.303 335 W HA 0.098 nan 4.660 nan 0.000 0.334 335 W C 0.355 176.881 176.519 0.011 0.000 1.197 335 W CA -1.874 55.505 57.345 0.056 0.000 1.262 335 W CB 0.711 30.244 29.460 0.122 0.000 1.153 335 W HN -0.477 7.996 8.180 0.490 0.000 0.596 336 T N 5.192 119.800 114.554 0.090 0.000 2.728 336 T HA 0.204 nan 4.350 nan 0.000 0.296 336 T C -1.266 173.427 174.700 -0.011 0.000 0.940 336 T CA 0.445 62.551 62.100 0.010 0.000 1.013 336 T CB 0.266 69.087 68.868 -0.079 0.000 0.912 336 T HN 0.919 9.133 8.240 -0.044 0.000 0.484 337 I N 7.486 128.066 120.570 0.016 0.000 2.306 337 I HA 0.355 nan 4.170 nan 0.000 0.288 337 I C -0.901 175.182 176.117 -0.056 0.000 1.036 337 I CA -1.030 60.256 61.300 -0.023 0.000 1.221 337 I CB 0.506 38.530 38.000 0.040 0.000 1.385 337 I HN 0.384 8.620 8.210 0.043 0.000 0.472 338 I N 9.694 130.199 120.570 -0.108 0.000 2.331 338 I HA 0.216 nan 4.170 nan 0.000 0.292 338 I C -1.002 175.048 176.117 -0.113 0.000 0.998 338 I CA -1.969 59.262 61.300 -0.116 0.000 1.267 338 I CB 0.350 38.253 38.000 -0.161 0.000 1.386 338 I HN 0.659 8.781 8.210 -0.146 0.000 0.476 339 T N 4.456 118.960 114.554 -0.082 0.000 2.743 339 T HA 0.495 nan 4.350 nan 0.000 0.292 339 T C -1.957 172.715 174.700 -0.047 0.000 0.972 339 T CA -3.407 58.652 62.100 -0.069 0.000 0.967 339 T CB 0.397 69.240 68.868 -0.042 0.000 0.926 339 T HN 0.263 8.462 8.240 -0.069 0.000 0.459 340 P HA 0.447 nan 4.420 nan 0.000 0.274 340 P C -2.527 174.862 177.300 0.148 0.000 1.260 340 P CA -1.635 61.488 63.100 0.038 0.000 0.793 340 P CB -1.026 30.758 31.700 0.139 0.000 1.048 341 P HA 0.213 nan 4.420 nan 0.000 0.280 341 P C -1.674 175.699 177.300 0.121 0.000 1.272 341 P CA -0.524 62.637 63.100 0.102 0.000 0.819 341 P CB 0.730 32.444 31.700 0.023 0.000 1.122 342 T N -2.268 112.301 114.554 0.025 0.000 2.926 342 T HA 0.065 nan 4.350 nan 0.000 0.307 342 T C -1.675 172.829 174.700 -0.327 0.000 1.059 342 T CA -1.851 60.117 62.100 -0.220 0.000 1.122 342 T CB -1.047 67.752 68.868 -0.115 0.000 0.972 342 T HN -0.164 8.104 8.240 0.047 0.000 0.545 343 P HA 0.066 nan 4.420 nan 0.000 0.269 343 P C -1.001 176.164 177.300 -0.226 0.000 1.215 343 P CA -0.392 62.480 63.100 -0.379 0.000 0.780 343 P CB 0.554 31.954 31.700 -0.501 0.000 0.898 344 I N -5.748 114.738 120.570 -0.140 0.000 4.082 344 I HA 0.215 nan 4.170 nan 0.000 0.337 344 I C 0.475 176.543 176.117 -0.082 0.000 1.352 344 I CA -1.242 60.000 61.300 -0.096 0.000 1.097 344 I CB 0.989 38.950 38.000 -0.066 0.000 1.048 344 I HN -0.168 8.469 8.210 -0.123 -0.500 0.393 345 I N 3.764 124.279 120.570 -0.092 0.000 2.752 345 I HA -0.140 nan 4.170 nan 0.000 0.289 345 I C -2.379 173.714 176.117 -0.041 0.000 1.197 345 I CA -1.636 59.620 61.300 -0.074 0.000 1.432 345 I CB 0.810 38.772 38.000 -0.064 0.000 1.359 345 I HN -0.742 7.409 8.210 -0.115 -0.010 0.571 346 P HA 0.057 nan 4.420 nan 0.000 0.269 346 P C -0.710 176.614 177.300 0.039 0.000 1.209 346 P CA -0.310 62.794 63.100 0.006 0.000 0.776 346 P CB 0.864 32.574 31.700 0.016 0.000 0.876 347 D N 1.512 121.928 120.400 0.026 0.000 2.310 347 D HA -0.248 nan 4.640 nan 0.000 0.212 347 D C 0.708 177.039 176.300 0.051 0.000 0.965 347 D CA 2.674 56.696 54.000 0.035 0.000 0.879 347 D CB -0.343 40.465 40.800 0.013 0.000 0.921 347 D HN 0.379 8.756 8.370 0.011 0.000 0.510 348 D N -5.647 114.786 120.400 0.054 0.000 2.340 348 D HA -0.084 nan 4.640 nan 0.000 0.220 348 D C -0.223 176.119 176.300 0.070 0.000 1.039 348 D CA 0.171 54.203 54.000 0.053 0.000 0.866 348 D CB -0.274 40.553 40.800 0.044 0.000 0.913 348 D HN 0.051 8.394 8.370 0.048 0.056 0.523 349 H N 2.494 121.558 119.070 -0.011 0.000 2.580 349 H HA 0.208 nan 4.556 nan 0.000 0.322 349 H C -2.116 173.155 175.328 -0.095 0.000 1.082 349 H CA -2.103 53.919 56.048 -0.044 0.000 1.383 349 H CB 0.955 30.688 29.762 -0.048 0.000 1.450 349 H HN -0.570 7.644 8.280 0.160 0.161 0.505 350 P HA -0.031 nan 4.420 nan 0.000 0.265 350 P C -1.254 175.378 177.300 -1.113 0.000 1.222 350 P CA 0.048 62.543 63.100 -1.008 0.000 0.767 350 P CB 0.246 31.011 31.700 -1.557 0.000 0.801 351 L N 4.018 124.827 121.223 -0.690 0.000 2.495 351 L HA 0.277 nan 4.340 nan 0.000 0.248 351 L C 0.862 177.423 176.870 -0.515 0.000 1.229 351 L CA -0.754 53.850 54.840 -0.395 0.000 0.942 351 L CB -0.392 41.659 42.059 -0.013 0.000 1.242 351 L HN 0.025 8.020 8.230 -0.391 0.000 0.484 352 W N 2.405 123.387 121.300 -0.530 0.000 2.363 352 W HA -0.242 nan 4.660 nan 0.000 0.296 352 W C 1.172 177.661 176.519 -0.050 0.000 1.212 352 W CA 3.050 60.097 57.345 -0.497 0.000 1.260 352 W CB -0.028 29.321 29.460 -0.185 0.000 1.131 352 W HN -0.047 7.685 8.180 -0.746 0.000 0.530 353 M N -6.572 113.174 119.600 0.243 0.000 2.356 353 M HA 0.223 nan 4.480 nan 0.000 0.262 353 M C -0.792 175.550 176.300 0.070 0.000 1.097 353 M CA -0.751 54.682 55.300 0.221 0.000 0.991 353 M CB -0.459 32.295 32.600 0.256 0.000 1.450 353 M HN -0.667 7.735 8.290 0.188 0.000 0.495 354 S N -1.280 114.420 115.700 -0.001 0.000 2.727 354 S HA 0.183 nan 4.470 nan 0.000 0.278 354 S C -1.669 172.967 174.600 0.059 0.000 1.186 354 S CA -1.510 56.698 58.200 0.012 0.000 0.836 354 S CB 1.588 64.840 63.200 0.086 0.000 1.186 354 S HN -0.705 7.540 8.310 -0.024 0.051 0.499 355 S N 0.223 116.045 115.700 0.204 0.000 2.719 355 S HA 0.262 nan 4.470 nan 0.000 0.285 355 S C 0.464 175.219 174.600 0.260 0.000 1.137 355 S CA -0.945 57.487 58.200 0.386 0.000 1.012 355 S CB 2.126 65.599 63.200 0.455 0.000 1.134 355 S HN 0.139 8.558 8.310 0.182 0.000 0.544 356 K N 0.643 121.156 120.400 0.189 0.000 2.366 356 K HA -0.022 nan 4.320 nan 0.000 0.198 356 K C 2.042 178.590 176.600 -0.087 0.000 1.044 356 K CA 1.831 58.114 56.287 -0.007 0.000 0.973 356 K CB 0.025 32.426 32.500 -0.165 0.000 0.767 356 K HN 0.370 8.765 8.250 0.241 0.000 0.475 357 W N -0.897 120.463 121.300 0.101 0.000 3.124 357 W HA -0.192 nan 4.660 nan 0.000 0.248 357 W C 1.052 177.617 176.519 0.077 0.000 1.323 357 W CA 0.911 58.303 57.345 0.078 0.000 1.450 357 W CB -0.855 28.644 29.460 0.065 0.000 1.108 357 W HN -0.425 7.915 8.180 0.334 0.040 0.717 358 L N -0.483 120.865 121.223 0.210 0.000 2.353 358 L HA -0.406 nan 4.340 nan 0.000 0.220 358 L C 1.829 178.799 176.870 0.167 0.000 1.133 358 L CA 2.170 57.112 54.840 0.171 0.000 0.798 358 L CB -0.908 41.218 42.059 0.113 0.000 0.922 358 L HN -0.884 7.328 8.230 0.150 0.109 0.445 359 S N 1.211 117.002 115.700 0.151 0.000 2.399 359 S HA -0.294 nan 4.470 nan 0.000 0.231 359 S C 1.257 176.006 174.600 0.248 0.000 1.022 359 S CA 3.111 61.407 58.200 0.159 0.000 0.983 359 S CB 0.040 63.280 63.200 0.067 0.000 0.803 359 S HN -0.470 7.855 8.310 0.106 0.049 0.480 360 M N -4.597 115.181 119.600 0.296 0.000 2.495 360 M HA 0.217 nan 4.480 nan 0.000 0.237 360 M C 0.192 176.623 176.300 0.219 0.000 1.131 360 M CA 0.216 55.683 55.300 0.278 0.000 1.032 360 M CB 0.638 33.400 32.600 0.271 0.000 1.513 360 M HN -0.606 7.868 8.290 0.342 0.021 0.488 361 N N 3.511 122.346 118.700 0.225 0.000 3.111 361 N HA 0.061 nan 4.740 nan 0.000 0.302 361 N C -1.212 174.470 175.510 0.286 0.000 1.317 361 N CA -0.781 52.393 53.050 0.207 0.000 1.151 361 N CB -1.073 37.537 38.487 0.205 0.000 1.456 361 N HN -0.482 7.848 8.380 0.238 0.193 0.547 362 V N -3.925 116.141 119.914 0.253 0.000 3.133 362 V HA 0.460 nan 4.120 nan 0.000 0.305 362 V C -1.389 174.842 176.094 0.229 0.000 1.084 362 V CA -1.588 60.862 62.300 0.249 0.000 1.089 362 V CB 0.845 32.725 31.823 0.095 0.000 1.073 362 V HN -0.408 7.906 8.190 0.200 -0.004 0.477 363 L N 2.552 123.870 121.223 0.157 0.000 2.356 363 L HA 0.504 nan 4.340 nan 0.000 0.277 363 L C -1.335 175.539 176.870 0.007 0.000 0.996 363 L CA -0.802 54.132 54.840 0.158 0.000 0.822 363 L CB 3.742 45.910 42.059 0.181 0.000 1.256 363 L HN -0.451 7.802 8.230 0.039 0.000 0.413 364 M N 5.281 124.910 119.600 0.048 0.000 2.108 364 M HA 0.364 nan 4.480 nan 0.000 0.354 364 M C 0.586 176.892 176.300 0.011 0.000 1.229 364 M CA -1.379 53.923 55.300 0.003 0.000 1.081 364 M CB -0.631 32.012 32.600 0.073 0.000 1.606 364 M HN 0.801 9.167 8.290 0.126 0.000 0.467 365 L N 3.359 124.564 121.223 -0.031 0.000 2.270 365 L HA -0.136 nan 4.340 nan 0.000 0.210 365 L C -0.449 176.426 176.870 0.007 0.000 1.104 365 L CA 2.214 57.042 54.840 -0.020 0.000 0.804 365 L CB -0.166 41.865 42.059 -0.047 0.000 0.937 365 L HN 0.861 9.049 8.230 -0.070 0.000 0.450 366 D N -4.950 115.460 120.400 0.018 0.000 2.792 366 D HA 0.050 nan 4.640 nan 0.000 0.335 366 D C 0.897 177.234 176.300 0.062 0.000 1.353 366 D CA -0.432 53.602 54.000 0.056 0.000 0.839 366 D CB 0.243 41.065 40.800 0.037 0.000 1.396 366 D HN -0.673 7.668 8.370 -0.004 0.027 0.479 367 E N -1.592 118.657 120.200 0.081 0.000 2.160 367 E HA -0.289 nan 4.350 nan 0.000 0.195 367 E C 0.959 177.544 176.600 -0.026 0.000 0.991 367 E CA 2.884 59.298 56.400 0.024 0.000 0.810 367 E CB 0.092 29.789 29.700 -0.004 0.000 0.742 367 E HN 0.198 8.624 8.360 0.110 0.000 0.466 368 K N -4.759 115.629 120.400 -0.021 0.000 2.399 368 K HA 0.241 nan 4.320 nan 0.000 0.204 368 K C -1.696 174.871 176.600 -0.056 0.000 1.023 368 K CA -1.214 55.052 56.287 -0.034 0.000 1.127 368 K CB 0.561 33.047 32.500 -0.023 0.000 0.856 368 K HN -0.192 8.297 8.250 -0.006 -0.243 0.514 369 R N -1.292 119.164 120.500 -0.073 0.000 2.502 369 R HA 0.543 nan 4.340 nan 0.000 0.300 369 R C -2.514 173.684 176.300 -0.169 0.000 0.984 369 R CA -0.509 55.525 56.100 -0.110 0.000 0.882 369 R CB 3.205 33.456 30.300 -0.080 0.000 1.180 369 R HN -0.572 7.545 8.270 -0.057 0.119 0.444 370 V N 5.008 124.758 119.914 -0.274 0.000 2.604 370 V HA 0.750 nan 4.120 nan 0.000 0.305 370 V C -2.391 173.471 176.094 -0.386 0.000 1.043 370 V CA -2.764 59.304 62.300 -0.387 0.000 0.888 370 V CB 4.284 35.650 31.823 -0.763 0.000 0.995 370 V HN 0.862 8.892 8.190 -0.267 0.000 0.429 371 M N 9.840 129.199 119.600 -0.402 0.000 2.077 371 M HA 0.562 nan 4.480 nan 0.000 0.348 371 M C -2.299 173.549 176.300 -0.754 0.000 1.252 371 M CA -0.044 54.897 55.300 -0.598 0.000 1.096 371 M CB 0.895 33.090 32.600 -0.676 0.000 1.568 371 M HN 0.515 8.607 8.290 -0.331 0.000 0.456 372 V N 5.863 125.454 119.914 -0.539 0.000 2.960 372 V HA 0.483 nan 4.120 nan 0.000 0.315 372 V C -2.733 173.362 176.094 0.002 0.000 1.087 372 V CA -3.474 58.715 62.300 -0.185 0.000 0.982 372 V CB 4.197 35.975 31.823 -0.076 0.000 1.039 372 V HN 0.563 8.480 8.190 -0.455 0.000 0.437 373 D N 3.120 123.715 120.400 0.325 0.000 2.390 373 D HA -0.024 nan 4.640 nan 0.000 0.249 373 D C 0.921 177.292 176.300 0.117 0.000 1.144 373 D CA 1.037 55.215 54.000 0.297 0.000 0.880 373 D CB 1.423 42.357 40.800 0.223 0.000 1.182 373 D HN 0.271 8.859 8.370 0.362 0.000 0.451 374 A N 8.394 131.262 122.820 0.079 0.000 1.986 374 A HA -0.298 nan 4.320 nan 0.000 0.220 374 A C 1.183 178.775 177.584 0.013 0.000 1.171 374 A CA 2.743 54.796 52.037 0.026 0.000 0.640 374 A CB -0.032 18.973 19.000 0.009 0.000 0.811 374 A HN 0.599 8.705 8.150 0.116 0.113 0.451 375 N N -4.240 114.465 118.700 0.008 0.000 2.446 375 N HA -0.062 nan 4.740 nan 0.000 0.179 375 N C 0.018 175.524 175.510 -0.006 0.000 1.054 375 N CA 1.586 54.627 53.050 -0.015 0.000 0.905 375 N CB 0.592 39.051 38.487 -0.046 0.000 0.973 375 N HN -0.367 8.267 8.380 0.019 -0.242 0.448 376 E N 1.123 121.335 120.200 0.020 0.000 1.964 376 E HA 0.129 nan 4.350 nan 0.000 0.264 376 E C -0.366 176.255 176.600 0.035 0.000 1.120 376 E CA -0.895 55.520 56.400 0.024 0.000 1.061 376 E CB -1.703 28.028 29.700 0.052 0.000 1.190 376 E HN -0.313 7.909 8.360 0.041 0.162 0.459 377 V N 3.685 123.608 119.914 0.015 0.000 2.287 377 V HA -0.285 nan 4.120 nan 0.000 0.248 377 V C -0.569 175.537 176.094 0.021 0.000 1.053 377 V CA 6.324 68.635 62.300 0.018 0.000 1.027 377 V CB -2.690 29.135 31.823 0.004 0.000 0.646 377 V HN -0.482 7.662 8.190 0.002 0.047 0.447 378 P HA -0.270 nan 4.420 nan 0.000 0.215 378 P C 1.402 178.704 177.300 0.003 0.000 1.157 378 P CA 3.581 66.681 63.100 0.000 0.000 0.868 378 P CB -0.471 31.223 31.700 -0.011 0.000 0.788 379 I N -3.975 116.610 120.570 0.025 0.000 2.493 379 I HA -0.435 nan 4.170 nan 0.000 0.254 379 I C 1.250 177.434 176.117 0.111 0.000 1.160 379 I CA 2.368 63.684 61.300 0.026 0.000 1.445 379 I CB -0.178 37.879 38.000 0.094 0.000 1.086 379 I HN -0.224 8.004 8.210 0.030 0.000 0.433 380 Q N 0.126 120.012 119.800 0.143 0.000 2.079 380 Q HA -0.391 nan 4.340 nan 0.000 0.200 380 Q C 2.507 178.583 176.000 0.127 0.000 0.974 380 Q CA 3.614 59.524 55.803 0.179 0.000 0.840 380 Q CB -0.203 28.592 28.738 0.095 0.000 0.898 380 Q HN -0.340 7.870 8.270 0.099 0.118 0.430 381 K N -0.436 119.998 120.400 0.055 0.000 2.057 381 K HA -0.296 nan 4.320 nan 0.000 0.207 381 K C 2.216 178.818 176.600 0.003 0.000 1.049 381 K CA 2.289 58.591 56.287 0.025 0.000 0.931 381 K CB -0.708 31.795 32.500 0.005 0.000 0.714 381 K HN 0.018 8.295 8.250 0.044 0.000 0.440 382 M N -0.202 119.368 119.600 -0.051 0.000 2.080 382 M HA -0.374 nan 4.480 nan 0.000 0.260 382 M C 2.228 178.437 176.300 -0.153 0.000 1.068 382 M CA 3.982 59.192 55.300 -0.151 0.000 1.109 382 M CB -0.036 32.394 32.600 -0.284 0.000 1.342 382 M HN -0.574 7.689 8.290 -0.045 0.000 0.405 383 F N -2.579 117.359 119.950 -0.020 0.000 2.186 383 F HA -0.370 nan 4.527 nan 0.000 0.299 383 F C 2.043 177.824 175.800 -0.032 0.000 1.090 383 F CA 3.705 61.687 58.000 -0.031 0.000 1.307 383 F CB -0.731 38.250 39.000 -0.031 0.000 1.019 383 F HN -0.450 7.835 8.300 -0.025 0.000 0.489 384 E N -0.331 119.960 120.200 0.151 0.000 2.077 384 E HA -0.356 nan 4.350 nan 0.000 0.193 384 E C 2.974 179.597 176.600 0.039 0.000 0.989 384 E CA 3.373 59.819 56.400 0.076 0.000 0.800 384 E CB -0.357 29.374 29.700 0.051 0.000 0.746 384 E HN -0.049 8.316 8.360 0.154 0.087 0.452 385 K N -0.418 119.993 120.400 0.018 0.000 2.283 385 K HA -0.235 nan 4.320 nan 0.000 0.202 385 K C 1.719 178.317 176.600 -0.003 0.000 1.048 385 K CA 2.573 58.859 56.287 -0.001 0.000 0.948 385 K CB -0.194 32.296 32.500 -0.017 0.000 0.742 385 K HN -0.084 8.174 8.250 0.014 0.000 0.458 386 L N -3.886 117.341 121.223 0.006 0.000 2.599 386 L HA -0.031 nan 4.340 nan 0.000 0.230 386 L C -0.154 176.725 176.870 0.016 0.000 1.141 386 L CA 0.081 54.924 54.840 0.004 0.000 0.877 386 L CB 0.288 42.351 42.059 0.007 0.000 1.009 386 L HN -0.680 7.427 8.230 0.018 0.133 0.447 387 G N -2.128 106.686 108.800 0.023 0.000 2.137 387 G HA2 -0.397 nan 3.960 nan 0.000 0.237 387 G HA3 -0.397 nan 3.960 nan 0.000 0.237 387 G C -0.460 174.450 174.900 0.017 0.000 1.002 387 G CA 0.174 45.282 45.100 0.013 0.000 0.702 387 G HN -0.399 7.722 8.290 0.029 0.186 0.515 388 I N 0.465 121.064 120.570 0.048 0.000 2.330 388 I HA -0.017 nan 4.170 nan 0.000 0.289 388 I C -0.656 175.461 176.117 -0.000 0.000 1.001 388 I CA -0.889 60.428 61.300 0.029 0.000 1.193 388 I CB 0.853 38.909 38.000 0.093 0.000 1.345 388 I HN -0.239 7.994 8.210 0.079 0.024 0.461 389 T N 10.349 124.879 114.554 -0.040 0.000 2.817 389 T HA 0.038 nan 4.350 nan 0.000 0.295 389 T C -0.242 174.396 174.700 -0.102 0.000 0.958 389 T CA 0.883 62.951 62.100 -0.054 0.000 1.157 389 T CB -0.164 68.672 68.868 -0.054 0.000 0.898 389 T HN 0.510 8.726 8.240 -0.041 0.000 0.536 390 T N 2.974 117.477 114.554 -0.085 0.000 2.799 390 T HA 0.635 nan 4.350 nan 0.000 0.286 390 T C -0.493 174.132 174.700 -0.125 0.000 0.973 390 T CA -2.124 59.899 62.100 -0.129 0.000 1.035 390 T CB 0.516 69.346 68.868 -0.064 0.000 0.932 390 T HN 0.198 8.410 8.240 -0.047 0.000 0.469 391 I N 6.274 126.736 120.570 -0.179 0.000 2.359 391 I HA 0.230 nan 4.170 nan 0.000 0.284 391 I C -1.030 174.967 176.117 -0.199 0.000 1.018 391 I CA -0.716 60.484 61.300 -0.168 0.000 1.173 391 I CB 1.211 39.101 38.000 -0.183 0.000 1.326 391 I HN 0.939 9.006 8.210 -0.237 0.000 0.462 392 K N 7.144 127.468 120.400 -0.127 0.000 2.285 392 K HA 0.240 nan 4.320 nan 0.000 0.286 392 K C -1.173 175.383 176.600 -0.074 0.000 1.072 392 K CA 0.035 56.266 56.287 -0.095 0.000 0.913 392 K CB -0.020 32.453 32.500 -0.045 0.000 1.067 392 K HN 0.265 8.457 8.250 -0.097 0.000 0.479 393 V N 3.319 123.201 119.914 -0.053 0.000 2.680 393 V HA 0.202 nan 4.120 nan 0.000 0.309 393 V C -1.606 174.580 176.094 0.154 0.000 1.052 393 V CA -1.786 60.539 62.300 0.042 0.000 0.908 393 V CB 3.523 35.384 31.823 0.063 0.000 1.001 393 V HN 0.359 8.498 8.190 -0.084 0.000 0.431 394 N N 3.403 122.143 118.700 0.067 0.000 2.426 394 N HA 0.267 nan 4.740 nan 0.000 0.275 394 N C -0.018 175.469 175.510 -0.038 0.000 1.019 394 N CA -0.128 52.935 53.050 0.022 0.000 0.941 394 N CB 0.954 39.425 38.487 -0.026 0.000 1.123 394 N HN 0.080 8.476 8.380 0.028 0.000 0.486 395 I N -0.097 120.416 120.570 -0.095 0.000 3.007 395 I HA 0.413 nan 4.170 nan 0.000 0.333 395 I C -0.091 175.916 176.117 -0.185 0.000 1.489 395 I CA -1.903 59.263 61.300 -0.223 0.000 0.906 395 I CB 0.286 38.018 38.000 -0.447 0.000 1.702 395 I HN -0.230 8.144 8.210 -0.063 -0.202 0.548 396 R N 3.501 123.907 120.500 -0.156 0.000 2.096 396 R HA -0.416 nan 4.340 nan 0.000 0.240 396 R C 1.182 177.448 176.300 -0.057 0.000 1.139 396 R CA 3.514 59.492 56.100 -0.205 0.000 0.952 396 R CB -0.400 29.722 30.300 -0.297 0.000 0.854 396 R HN -0.090 8.338 8.270 -0.141 -0.243 0.436 397 N N -1.124 117.565 118.700 -0.019 0.000 2.300 397 N HA -0.166 nan 4.740 nan 0.000 0.179 397 N C 2.607 178.262 175.510 0.242 0.000 1.016 397 N CA 3.178 56.318 53.050 0.150 0.000 0.876 397 N CB -0.167 38.228 38.487 -0.152 0.000 0.979 397 N HN -0.366 8.371 8.380 -0.099 -0.416 0.432 398 A N 0.987 123.817 122.820 0.017 0.000 2.015 398 A HA -0.200 nan 4.320 nan 0.000 0.219 398 A C 1.994 179.726 177.584 0.246 0.000 1.163 398 A CA 2.700 54.732 52.037 -0.008 0.000 0.646 398 A CB -0.774 17.825 19.000 -0.669 0.000 0.806 398 A HN 0.190 8.541 8.150 -0.103 -0.263 0.448 399 N N -1.469 117.310 118.700 0.132 0.000 2.205 399 N HA -0.256 nan 4.740 nan 0.000 0.186 399 N C 2.506 178.106 175.510 0.151 0.000 1.015 399 N CA 2.538 55.681 53.050 0.153 0.000 0.862 399 N CB -0.721 37.823 38.487 0.096 0.000 0.986 399 N HN 0.096 8.476 8.380 0.040 0.024 0.429 400 S N 1.157 116.932 115.700 0.125 0.000 2.419 400 S HA -0.237 nan 4.470 nan 0.000 0.233 400 S C 1.061 175.691 174.600 0.050 0.000 1.016 400 S CA 3.072 61.193 58.200 -0.132 0.000 0.974 400 S CB -0.281 62.591 63.200 -0.547 0.000 0.786 400 S HN -0.380 7.913 8.310 0.232 0.155 0.492 401 L N -2.960 118.342 121.223 0.133 0.000 2.478 401 L HA -0.190 nan 4.340 nan 0.000 0.223 401 L C 0.806 177.752 176.870 0.127 0.000 1.140 401 L CA 1.181 56.069 54.840 0.080 0.000 0.842 401 L CB 0.007 42.095 42.059 0.049 0.000 0.953 401 L HN -0.542 7.687 8.230 0.218 0.132 0.452 402 G N -4.235 104.635 108.800 0.118 0.000 2.227 402 G HA2 -0.149 nan 3.960 nan 0.000 0.168 402 G HA3 -0.149 nan 3.960 nan 0.000 0.168 402 G C -1.011 173.929 174.900 0.066 0.000 1.006 402 G CA -0.522 44.636 45.100 0.096 0.000 0.684 402 G HN -0.249 7.956 8.290 0.146 0.172 0.489 403 G N -1.014 107.845 108.800 0.099 0.000 2.695 403 G HA2 0.261 nan 3.960 nan 0.000 0.290 403 G HA3 0.261 nan 3.960 nan 0.000 0.290 403 G C -1.948 173.109 174.900 0.262 0.000 1.410 403 G CA -0.876 44.291 45.100 0.110 0.000 0.844 403 G HN -0.985 7.434 8.290 0.216 0.000 0.478 404 G N -1.641 107.256 108.800 0.161 0.000 2.782 404 G HA2 0.546 nan 3.960 nan 0.000 0.201 404 G HA3 0.546 nan 3.960 nan 0.000 0.201 404 G C 0.244 175.114 174.900 -0.050 0.000 1.374 404 G CA -1.241 43.833 45.100 -0.043 0.000 1.039 404 G HN -0.274 8.107 8.290 0.152 0.000 0.576 405 F N -0.003 120.070 119.950 0.205 0.000 2.163 405 F HA -0.180 nan 4.527 nan 0.000 0.297 405 F C 2.203 178.121 175.800 0.197 0.000 1.094 405 F CA 4.233 62.339 58.000 0.177 0.000 1.290 405 F CB 0.138 39.194 39.000 0.093 0.000 1.017 405 F HN -0.431 7.844 8.300 -0.042 0.000 0.483 406 H N 0.195 119.420 119.070 0.257 0.000 2.387 406 H HA -0.394 nan 4.556 nan 0.000 0.299 406 H C 1.490 176.876 175.328 0.096 0.000 1.090 406 H CA 4.378 60.523 56.048 0.161 0.000 1.332 406 H CB 0.584 30.428 29.762 0.136 0.000 1.386 406 H HN -0.136 8.419 8.280 0.459 0.000 0.516 407 A N -0.972 121.923 122.820 0.125 0.000 1.930 407 A HA -0.222 nan 4.320 nan 0.000 0.215 407 A C 1.951 179.453 177.584 -0.137 0.000 1.176 407 A CA 2.667 54.675 52.037 -0.048 0.000 0.632 407 A CB -0.841 18.126 19.000 -0.056 0.000 0.819 407 A HN 0.220 8.486 8.150 0.216 0.014 0.445 408 W N -4.215 117.031 121.300 -0.089 0.000 2.937 408 W HA -0.124 nan 4.660 nan 0.000 0.245 408 W C -1.067 175.422 176.519 -0.049 0.000 1.306 408 W CA 1.766 59.057 57.345 -0.090 0.000 1.470 408 W CB 0.056 29.456 29.460 -0.100 0.000 1.132 408 W HN -0.170 8.188 8.180 0.296 0.000 0.675 409 T N -8.218 106.393 114.554 0.096 0.000 2.888 409 T HA 0.594 nan 4.350 nan 0.000 0.288 409 T C -2.605 172.057 174.700 -0.064 0.000 1.063 409 T CA -2.588 59.542 62.100 0.049 0.000 1.010 409 T CB 3.404 72.317 68.868 0.074 0.000 1.214 409 T HN -0.726 7.468 8.240 0.045 0.074 0.533 410 C N 1.995 121.271 119.300 -0.040 0.000 2.620 410 C HA 0.385 nan 4.460 nan 0.000 0.356 410 C C -2.131 172.832 174.990 -0.045 0.000 1.082 410 C CA -1.134 57.836 59.018 -0.079 0.000 1.293 410 C CB 1.982 29.671 27.740 -0.085 0.000 1.836 410 C HN 0.262 8.498 8.230 0.010 0.000 0.453 411 D N 7.753 128.114 120.400 -0.064 0.000 2.338 411 D HA -0.028 nan 4.640 nan 0.000 0.255 411 D C -0.556 175.694 176.300 -0.083 0.000 1.237 411 D CA 0.438 54.405 54.000 -0.055 0.000 0.883 411 D CB -0.154 40.615 40.800 -0.050 0.000 1.087 411 D HN -0.058 8.258 8.370 -0.090 0.000 0.485 412 V N 1.171 121.033 119.914 -0.086 0.000 2.446 412 V HA -0.043 nan 4.120 nan 0.000 0.244 412 V C -0.119 175.856 176.094 -0.198 0.000 1.039 412 V CA 2.596 64.798 62.300 -0.163 0.000 1.045 412 V CB 0.717 32.424 31.823 -0.192 0.000 0.681 412 V HN 0.012 8.170 8.190 -0.052 0.000 0.459 413 R N -2.509 117.905 120.500 -0.143 0.000 2.533 413 R HA 0.509 nan 4.340 nan 0.000 0.288 413 R C -2.464 173.785 176.300 -0.085 0.000 1.039 413 R CA -0.558 55.463 56.100 -0.132 0.000 0.909 413 R CB 3.109 33.334 30.300 -0.124 0.000 1.195 413 R HN -0.605 7.603 8.270 -0.103 0.000 0.438 414 R N 4.056 124.506 120.500 -0.084 0.000 2.750 414 R HA 0.621 nan 4.340 nan 0.000 0.281 414 R C -1.638 174.652 176.300 -0.016 0.000 0.972 414 R CA -1.716 54.355 56.100 -0.048 0.000 0.912 414 R CB 3.788 34.048 30.300 -0.067 0.000 1.187 414 R HN 0.572 8.775 8.270 -0.112 0.000 0.464 415 R N 2.694 123.200 120.500 0.010 0.000 2.216 415 R HA -0.022 nan 4.340 nan 0.000 0.332 415 R C -0.868 175.473 176.300 0.069 0.000 1.056 415 R CA 0.544 56.666 56.100 0.037 0.000 0.901 415 R CB 0.270 30.589 30.300 0.033 0.000 1.039 415 R HN 0.564 8.725 8.270 0.007 0.113 0.456 416 G N 3.879 112.744 108.800 0.108 0.000 2.317 416 G HA2 0.087 nan 3.960 nan 0.000 0.293 416 G HA3 0.087 nan 3.960 nan 0.000 0.293 416 G C -2.615 172.397 174.900 0.187 0.000 1.287 416 G CA 0.280 45.464 45.100 0.139 0.000 0.850 416 G HN -0.018 8.340 8.290 0.113 0.000 0.515 417 T N -3.739 110.875 114.554 0.101 0.000 2.930 417 T HA 0.328 nan 4.350 nan 0.000 0.290 417 T C -0.842 173.627 174.700 -0.385 0.000 1.052 417 T CA -2.136 59.905 62.100 -0.098 0.000 1.017 417 T CB 2.876 71.697 68.868 -0.078 0.000 1.137 417 T HN 0.199 8.505 8.240 0.110 0.000 0.511 418 L N 1.988 122.700 121.223 -0.852 0.000 2.361 418 L HA 0.129 nan 4.340 nan 0.000 0.278 418 L C -0.860 175.793 176.870 -0.362 0.000 1.113 418 L CA 0.038 54.388 54.840 -0.816 0.000 0.849 418 L CB 0.144 41.679 42.059 -0.872 0.000 1.155 418 L HN 0.180 7.944 8.230 -0.776 0.000 0.452 419 Q N 4.533 124.181 119.800 -0.254 0.000 2.605 419 Q HA 0.291 nan 4.340 nan 0.000 0.296 419 Q C -2.105 173.620 176.000 -0.458 0.000 1.056 419 Q CA -1.607 53.991 55.803 -0.341 0.000 0.778 419 Q CB 4.000 32.503 28.738 -0.392 0.000 1.497 419 Q HN 0.050 8.234 8.270 -0.143 0.000 0.443 420 S N -0.608 114.813 115.700 -0.465 0.000 2.509 420 S HA 0.295 nan 4.470 nan 0.000 0.297 420 S C -1.031 173.314 174.600 -0.425 0.000 1.118 420 S CA -1.309 56.713 58.200 -0.297 0.000 1.074 420 S CB 0.513 63.654 63.200 -0.097 0.000 1.038 420 S HN 0.311 8.398 8.310 -0.372 0.000 0.498 421 Y N 3.820 124.334 120.300 0.356 0.000 2.499 421 Y HA 0.169 nan 4.550 nan 0.000 0.253 421 Y C 0.123 176.404 175.900 0.636 0.000 1.105 421 Y CA 0.318 58.676 58.100 0.430 0.000 1.240 421 Y CB 0.911 39.641 38.460 0.451 0.000 1.289 421 Y HN 0.845 9.324 8.280 0.331 0.000 0.534 422 L N -0.579 121.005 121.223 0.601 0.000 2.477 422 L HA 0.034 nan 4.340 nan 0.000 0.220 422 L C 0.067 177.066 176.870 0.215 0.000 1.106 422 L CA 0.079 55.145 54.840 0.377 0.000 0.851 422 L CB 0.630 42.810 42.059 0.201 0.000 0.994 422 L HN -0.314 8.206 8.230 0.484 0.000 0.462 423 D N 0.000 120.516 120.400 0.194 0.000 6.856 423 D HA 0.000 nan 4.640 nan 0.000 0.175 423 D CA 0.000 54.066 54.000 0.110 0.000 0.868 423 D CB 0.000 40.836 40.800 0.060 0.000 0.688 423 D HN 0.000 8.447 8.370 0.224 0.057 0.683