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 1hgw_1_A DATA FIRST_RESID 85 DATA SEQUENCE TATYSGNPFV GVTPWANAYY ASEVSSLAIP SLTGAMATAA AAVAKVPSFM DATA SEQUENCE WLDTLDKTPL MEQTLADIRT ANKNGGNYAG QFVVYDLPDR AcAALASNGE DATA SEQUENCE YSIADGGVAK YKNYIDTIRQ IVVEYSDIRT LLVIEPDSLA NLVTNLGTPK DATA SEQUENCE cANAQSAYLE CINYAVTQLN LPNVAMYLDA GHAGWLGWPA NQDPAAQLFA DATA SEQUENCE NVYKNASSPR ALRGLATNVA NYNGWNITSP PSYTQGNAVY NEKLYIHAIG DATA SEQUENCE PLLANHGWSN AFFITDQGRS GKQPTGQQQW GDWcNVIGTG FGIRPSANTG DATA SEQUENCE DSLLDSFVWV KPGGECDGTS DSSAPRFDSH cALPDALQPA PQAGAWFQAY DATA SEQUENCE FVQLLTNANP SFL 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 85 T HA 0.000 nan 4.350 nan 0.000 0.228 85 T C 0.000 174.709 174.700 0.015 0.000 1.109 85 T CA 0.000 62.100 62.100 -0.000 0.000 1.349 85 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 86 A N 3.693 126.531 122.820 0.030 0.000 2.711 86 A HA 0.473 4.793 4.320 -0.000 0.000 0.242 86 A C 1.098 178.743 177.584 0.100 0.000 1.607 86 A CA 0.415 52.480 52.037 0.047 0.000 1.370 86 A CB -1.409 17.613 19.000 0.037 0.000 0.934 86 A HN 0.644 nan 8.150 nan 0.000 0.628 87 T N -1.399 113.201 114.554 0.076 0.000 2.802 87 T HA 0.453 4.803 4.350 -0.000 0.000 0.305 87 T C -0.169 174.625 174.700 0.157 0.000 1.053 87 T CA 0.317 62.463 62.100 0.077 0.000 1.058 87 T CB 0.352 69.203 68.868 -0.028 0.000 0.988 87 T HN 1.008 nan 8.240 nan 0.000 0.539 88 Y N -2.142 118.137 120.300 -0.035 0.000 2.638 88 Y HA 0.743 5.293 4.550 -0.000 0.000 0.335 88 Y C -0.781 175.098 175.900 -0.035 0.000 1.155 88 Y CA -1.430 56.647 58.100 -0.038 0.000 1.046 88 Y CB 1.273 39.704 38.460 -0.049 0.000 1.303 88 Y HN 0.792 nan 8.280 nan 0.000 0.460 89 S N 1.401 117.130 115.700 0.049 0.000 2.557 89 S HA 0.736 5.206 4.470 -0.000 0.000 0.291 89 S C 0.107 174.746 174.600 0.065 0.000 1.116 89 S CA 0.338 58.523 58.200 -0.026 0.000 0.992 89 S CB 0.558 63.740 63.200 -0.030 0.000 1.028 89 S HN 2.195 nan 8.310 nan 0.000 0.484 90 G N 4.531 113.350 108.800 0.031 0.000 2.525 90 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 90 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 90 G C -0.209 174.700 174.900 0.015 0.000 1.238 90 G CA -0.085 44.996 45.100 -0.032 0.000 0.926 90 G HN 0.968 nan 8.290 nan 0.000 0.574 91 N N 2.672 121.316 118.700 -0.092 0.000 2.386 91 N HA 0.137 4.877 4.740 -0.000 0.000 0.273 91 N C -0.363 175.162 175.510 0.026 0.000 1.331 91 N CA -0.660 52.369 53.050 -0.035 0.000 0.891 91 N CB 0.946 39.411 38.487 -0.036 0.000 1.139 91 N HN 0.318 nan 8.380 nan 0.000 0.487 92 P HA -0.055 nan 4.420 nan 0.000 0.242 92 P C 0.546 177.600 177.300 -0.410 0.000 1.197 92 P CA 0.765 63.581 63.100 -0.473 0.000 0.765 92 P CB -0.043 31.098 31.700 -0.932 0.000 0.936 93 F N -0.628 119.254 119.950 -0.114 0.000 2.776 93 F HA 0.076 4.603 4.527 -0.000 0.000 0.300 93 F C 1.288 177.043 175.800 -0.074 0.000 1.116 93 F CA 0.114 58.061 58.000 -0.088 0.000 1.375 93 F CB 0.173 39.125 39.000 -0.080 0.000 1.109 93 F HN -0.339 nan 8.300 nan 0.000 0.585 94 V N 0.089 120.042 119.914 0.066 0.000 2.465 94 V HA 0.523 4.643 4.120 -0.000 0.000 0.279 94 V C 0.964 177.058 176.094 -0.000 0.000 1.045 94 V CA 0.291 62.610 62.300 0.032 0.000 0.938 94 V CB 0.637 32.474 31.823 0.023 0.000 0.986 94 V HN 0.476 nan 8.190 nan 0.000 0.467 95 G N 3.735 112.532 108.800 -0.006 0.000 2.195 95 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.246 95 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.246 95 G C 0.005 174.881 174.900 -0.040 0.000 0.984 95 G CA 0.262 45.350 45.100 -0.019 0.000 0.633 95 G HN 1.563 nan 8.290 nan 0.000 0.525 96 V N -3.419 116.467 119.914 -0.046 0.000 3.160 96 V HA 0.975 5.095 4.120 -0.000 0.000 0.310 96 V C -0.289 175.781 176.094 -0.040 0.000 1.181 96 V CA -0.278 61.983 62.300 -0.065 0.000 1.047 96 V CB 1.907 33.677 31.823 -0.088 0.000 1.068 96 V HN 0.509 nan 8.190 nan 0.000 0.441 97 T N 2.658 117.189 114.554 -0.039 0.000 2.840 97 T HA 0.573 4.923 4.350 -0.000 0.000 0.287 97 T C -2.902 171.907 174.700 0.181 0.000 0.991 97 T CA -1.076 61.044 62.100 0.034 0.000 0.964 97 T CB 1.609 70.434 68.868 -0.071 0.000 0.954 97 T HN 0.698 nan 8.240 nan 0.000 0.438 98 P HA -0.010 nan 4.420 nan 0.000 0.264 98 P C -0.431 176.988 177.300 0.199 0.000 1.193 98 P CA -0.414 62.751 63.100 0.107 0.000 0.763 98 P CB 0.495 32.228 31.700 0.056 0.000 0.810 99 W N 4.710 125.970 121.300 -0.067 0.000 2.287 99 W HA 0.423 5.083 4.660 -0.000 0.000 0.313 99 W C -0.817 175.588 176.519 -0.191 0.000 1.267 99 W CA -0.716 56.521 57.345 -0.179 0.000 1.201 99 W CB 0.707 30.032 29.460 -0.226 0.000 1.196 99 W HN 0.335 nan 8.180 nan 0.000 0.536 100 A N 6.129 128.521 122.820 -0.714 0.000 2.316 100 A HA 0.194 4.514 4.320 -0.000 0.000 0.311 100 A C -0.003 177.116 177.584 -0.776 0.000 1.339 100 A CA -0.564 51.153 52.037 -0.534 0.000 0.960 100 A CB -0.437 18.311 19.000 -0.421 0.000 1.152 100 A HN 0.710 nan 8.150 nan 0.000 0.547 101 N N 2.025 120.560 118.700 -0.276 0.000 2.453 101 N HA 0.318 5.058 4.740 -0.000 0.000 0.253 101 N C 0.946 176.493 175.510 0.062 0.000 1.252 101 N CA 0.222 53.287 53.050 0.025 0.000 0.917 101 N CB 0.902 39.549 38.487 0.265 0.000 1.117 101 N HN 0.410 nan 8.380 nan 0.000 0.442 102 A N 0.866 123.790 122.820 0.172 0.000 1.968 102 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 102 A C 1.848 179.513 177.584 0.135 0.000 1.169 102 A CA 0.790 52.895 52.037 0.113 0.000 0.638 102 A CB -1.263 17.827 19.000 0.150 0.000 0.812 102 A HN 0.821 nan 8.150 nan 0.000 0.446 103 Y N -1.089 119.283 120.300 0.119 0.000 2.070 103 Y HA -0.320 4.230 4.550 0.000 0.000 0.280 103 Y C 2.278 178.239 175.900 0.102 0.000 1.148 103 Y CA 2.483 60.655 58.100 0.120 0.000 1.125 103 Y CB -0.673 37.903 38.460 0.192 0.000 0.975 103 Y HN 0.413 nan 8.280 nan 0.000 0.492 104 Y N 0.373 120.815 120.300 0.237 0.000 2.181 104 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 104 Y C 2.448 178.305 175.900 -0.071 0.000 1.146 104 Y CA 1.599 59.777 58.100 0.129 0.000 1.164 104 Y CB -0.969 37.632 38.460 0.235 0.000 0.982 104 Y HN 0.213 nan 8.280 nan 0.000 0.515 105 A N -0.942 121.850 122.820 -0.046 0.000 1.908 105 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 105 A C 2.518 179.913 177.584 -0.316 0.000 1.181 105 A CA 2.118 54.042 52.037 -0.187 0.000 0.627 105 A CB -1.459 17.476 19.000 -0.109 0.000 0.818 105 A HN 0.530 nan 8.150 nan 0.000 0.445 106 S N -0.489 115.039 115.700 -0.287 0.000 2.368 106 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 106 S C 1.880 176.173 174.600 -0.511 0.000 1.030 106 S CA 1.728 59.729 58.200 -0.332 0.000 0.999 106 S CB -0.427 62.602 63.200 -0.284 0.000 0.844 106 S HN 0.664 nan 8.310 nan 0.000 0.459 107 E N 0.075 119.866 120.200 -0.682 0.000 2.038 107 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 107 E C 2.207 177.997 176.600 -1.349 0.000 1.000 107 E CA 1.677 57.449 56.400 -1.047 0.000 0.803 107 E CB -0.355 28.678 29.700 -1.111 0.000 0.750 107 E HN 0.416 nan 8.360 nan 0.000 0.448 108 V N 1.027 120.220 119.914 -1.202 0.000 2.295 108 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 108 V C 2.296 178.023 176.094 -0.612 0.000 1.049 108 V CA 1.986 63.692 62.300 -0.989 0.000 1.024 108 V CB -0.417 30.989 31.823 -0.694 0.000 0.648 108 V HN 0.192 nan 8.190 nan 0.000 0.447 109 S N -0.241 115.184 115.700 -0.459 0.000 2.387 109 S HA -0.120 4.350 4.470 -0.000 0.000 0.226 109 S C 2.092 176.523 174.600 -0.281 0.000 1.026 109 S CA 1.583 59.605 58.200 -0.297 0.000 0.972 109 S CB -0.094 62.970 63.200 -0.227 0.000 0.814 109 S HN 0.588 nan 8.310 nan 0.000 0.477 110 S N 0.580 116.070 115.700 -0.349 0.000 2.492 110 S HA 0.334 4.804 4.470 -0.000 0.000 0.218 110 S C 1.445 175.858 174.600 -0.312 0.000 1.016 110 S CA 0.115 58.144 58.200 -0.285 0.000 0.916 110 S CB 0.111 63.158 63.200 -0.255 0.000 0.791 110 S HN 0.328 nan 8.310 nan 0.000 0.513 111 L N -0.066 120.861 121.223 -0.494 0.000 2.575 111 L HA 0.409 4.749 4.340 -0.000 0.000 0.228 111 L C 2.151 178.809 176.870 -0.355 0.000 1.075 111 L CA 0.541 55.095 54.840 -0.475 0.000 0.867 111 L CB -0.223 41.366 42.059 -0.784 0.000 1.097 111 L HN 0.270 nan 8.230 nan 0.000 0.485 112 A N 0.483 123.037 122.820 -0.442 0.000 1.944 112 A HA 0.147 4.467 4.320 -0.000 0.000 0.209 112 A C 2.046 179.589 177.584 -0.069 0.000 1.328 112 A CA 0.144 52.075 52.037 -0.176 0.000 0.693 112 A CB -0.345 18.405 19.000 -0.416 0.000 0.994 112 A HN 0.115 nan 8.150 nan 0.000 0.485 113 I N 0.654 121.148 120.570 -0.127 0.000 2.194 113 I HA -0.203 3.967 4.170 -0.000 0.000 0.246 113 I C -0.772 175.330 176.117 -0.026 0.000 1.093 113 I CA 1.592 62.864 61.300 -0.047 0.000 1.355 113 I CB -1.157 36.797 38.000 -0.078 0.000 1.046 113 I HN 0.212 nan 8.210 nan 0.000 0.413 114 P HA -0.087 nan 4.420 nan 0.000 0.226 114 P C 1.293 178.593 177.300 -0.000 0.000 1.146 114 P CA 1.193 64.274 63.100 -0.031 0.000 0.773 114 P CB 0.071 31.740 31.700 -0.052 0.000 0.772 115 S N -1.665 114.048 115.700 0.020 0.000 2.535 115 S HA 0.192 4.662 4.470 -0.000 0.000 0.214 115 S C 0.706 175.343 174.600 0.062 0.000 0.980 115 S CA 0.027 58.257 58.200 0.049 0.000 0.907 115 S CB -0.114 63.135 63.200 0.081 0.000 0.790 115 S HN 0.045 nan 8.310 nan 0.000 0.510 116 L N 0.720 121.980 121.223 0.062 0.000 2.331 116 L HA 0.641 4.981 4.340 -0.000 0.000 0.268 116 L C -0.079 176.819 176.870 0.047 0.000 1.015 116 L CA -0.534 54.348 54.840 0.070 0.000 0.807 116 L CB 1.850 43.971 42.059 0.104 0.000 1.293 116 L HN -0.057 nan 8.230 nan 0.000 0.451 117 T N -1.052 113.530 114.554 0.047 0.000 2.864 117 T HA 0.591 4.941 4.350 -0.000 0.000 0.299 117 T C 0.201 174.923 174.700 0.037 0.000 1.166 117 T CA 0.108 62.229 62.100 0.035 0.000 1.007 117 T CB 1.721 70.606 68.868 0.028 0.000 1.219 117 T HN 1.045 nan 8.240 nan 0.000 0.506 118 G N 1.413 110.231 108.800 0.030 0.000 2.652 118 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.318 118 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.318 118 G C 1.390 176.313 174.900 0.038 0.000 1.295 118 G CA 0.982 46.100 45.100 0.030 0.000 0.999 118 G HN 1.407 nan 8.290 nan 0.000 0.548 119 A N -1.694 121.150 122.820 0.040 0.000 1.859 119 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 119 A C 2.673 180.295 177.584 0.063 0.000 1.198 119 A CA 3.697 55.764 52.037 0.049 0.000 0.629 119 A CB -0.468 18.559 19.000 0.045 0.000 0.830 119 A HN 0.721 nan 8.150 nan 0.000 0.446 120 M N -0.442 119.196 119.600 0.064 0.000 2.082 120 M HA -0.216 4.264 4.480 -0.000 0.000 0.258 120 M C 2.513 178.871 176.300 0.097 0.000 1.069 120 M CA 1.847 57.195 55.300 0.081 0.000 1.102 120 M CB -1.645 31.001 32.600 0.076 0.000 1.336 120 M HN 0.524 nan 8.290 nan 0.000 0.404 121 A N -0.650 122.217 122.820 0.079 0.000 1.902 121 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 121 A C 2.327 179.948 177.584 0.062 0.000 1.181 121 A CA 2.301 54.381 52.037 0.071 0.000 0.623 121 A CB -1.076 17.952 19.000 0.046 0.000 0.818 121 A HN 0.504 nan 8.150 nan 0.000 0.443 122 T N -0.001 114.587 114.554 0.056 0.000 2.812 122 T HA 0.071 4.421 4.350 -0.000 0.000 0.264 122 T C 2.236 176.977 174.700 0.069 0.000 1.042 122 T CA 1.355 63.486 62.100 0.052 0.000 1.140 122 T CB -0.379 68.518 68.868 0.048 0.000 0.870 122 T HN 0.581 nan 8.240 nan 0.000 0.445 123 A N 1.597 124.471 122.820 0.091 0.000 1.877 123 A HA 0.127 4.447 4.320 -0.000 0.000 0.216 123 A C 2.658 180.271 177.584 0.049 0.000 1.186 123 A CA 1.868 53.978 52.037 0.122 0.000 0.620 123 A CB -1.181 17.913 19.000 0.157 0.000 0.822 123 A HN 0.493 nan 8.150 nan 0.000 0.443 124 A N -0.005 122.868 122.820 0.088 0.000 1.917 124 A HA 0.048 4.368 4.320 -0.000 0.000 0.219 124 A C 2.507 180.126 177.584 0.058 0.000 1.182 124 A CA 2.403 54.539 52.037 0.165 0.000 0.633 124 A CB -1.109 18.069 19.000 0.298 0.000 0.819 124 A HN 1.192 nan 8.150 nan 0.000 0.448 125 A N -0.372 122.462 122.820 0.023 0.000 1.978 125 A HA 0.120 4.440 4.320 -0.000 0.000 0.220 125 A C 2.453 180.022 177.584 -0.026 0.000 1.170 125 A CA 2.148 54.176 52.037 -0.015 0.000 0.636 125 A CB -0.886 18.110 19.000 -0.008 0.000 0.810 125 A HN 1.109 nan 8.150 nan 0.000 0.448 126 A N -0.602 122.209 122.820 -0.014 0.000 1.930 126 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 126 A C 2.165 179.686 177.584 -0.106 0.000 1.175 126 A CA 1.548 53.597 52.037 0.020 0.000 0.627 126 A CB -0.831 18.289 19.000 0.199 0.000 0.815 126 A HN 0.398 nan 8.150 nan 0.000 0.443 127 V N 0.073 119.735 119.914 -0.419 0.000 2.392 127 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 127 V C 2.946 179.017 176.094 -0.039 0.000 1.059 127 V CA 1.838 63.795 62.300 -0.572 0.000 1.051 127 V CB -1.229 30.245 31.823 -0.581 0.000 0.658 127 V HN 0.595 nan 8.190 nan 0.000 0.455 128 A N -0.601 122.232 122.820 0.021 0.000 2.125 128 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 128 A C 2.163 179.772 177.584 0.041 0.000 1.156 128 A CA 1.405 53.495 52.037 0.088 0.000 0.671 128 A CB -0.363 18.600 19.000 -0.062 0.000 0.794 128 A HN 0.581 nan 8.150 nan 0.000 0.459 129 K N -0.456 119.930 120.400 -0.024 0.000 2.404 129 K HA 0.179 4.499 4.320 -0.000 0.000 0.194 129 K C -0.405 176.131 176.600 -0.106 0.000 1.023 129 K CA -0.084 56.156 56.287 -0.078 0.000 1.094 129 K CB 0.412 32.877 32.500 -0.059 0.000 0.841 129 K HN 0.266 nan 8.250 nan 0.000 0.523 130 V N 3.984 123.833 119.914 -0.109 0.000 2.432 130 V HA 0.112 4.232 4.120 -0.000 0.000 0.271 130 V C -2.298 173.653 176.094 -0.237 0.000 1.046 130 V CA -1.996 60.142 62.300 -0.271 0.000 0.945 130 V CB 0.651 32.145 31.823 -0.547 0.000 0.992 130 V HN 0.044 nan 8.190 nan 0.000 0.471 131 P HA 0.206 nan 4.420 nan 0.000 0.267 131 P C -0.454 176.803 177.300 -0.071 0.000 1.205 131 P CA 0.190 63.197 63.100 -0.155 0.000 0.765 131 P CB 0.557 32.187 31.700 -0.118 0.000 0.828 132 S N 1.930 117.626 115.700 -0.008 0.000 2.627 132 S HA 0.657 5.126 4.470 -0.000 0.000 0.283 132 S C -0.724 173.970 174.600 0.157 0.000 1.127 132 S CA -0.798 57.510 58.200 0.180 0.000 0.863 132 S CB 0.707 63.960 63.200 0.090 0.000 1.121 132 S HN 0.055 nan 8.310 nan 0.000 0.479 133 F N 1.463 121.494 119.950 0.133 0.000 2.399 133 F HA 0.420 4.947 4.527 -0.000 0.000 0.342 133 F C 0.662 176.589 175.800 0.211 0.000 1.106 133 F CA -0.749 57.297 58.000 0.076 0.000 1.196 133 F CB 1.087 40.084 39.000 -0.004 0.000 1.163 133 F HN 0.599 nan 8.300 nan 0.000 0.547 134 M N 4.030 123.777 119.600 0.245 0.000 2.108 134 M HA 0.301 4.781 4.480 -0.000 0.000 0.354 134 M C -1.693 174.877 176.300 0.450 0.000 1.229 134 M CA -0.419 55.097 55.300 0.361 0.000 1.081 134 M CB 0.569 33.373 32.600 0.339 0.000 1.606 134 M HN 0.515 nan 8.290 nan 0.000 0.467 135 W N 6.229 127.644 121.300 0.191 0.000 2.322 135 W HA 0.372 5.032 4.660 -0.000 0.000 0.307 135 W C -0.807 175.827 176.519 0.192 0.000 1.220 135 W CA -0.403 57.066 57.345 0.206 0.000 1.210 135 W CB 0.475 30.027 29.460 0.153 0.000 1.223 135 W HN 0.536 nan 8.180 nan 0.000 0.511 136 L N 5.269 126.739 121.223 0.413 0.000 2.657 136 L HA 0.104 4.444 4.340 -0.000 0.000 0.239 136 L C 1.196 178.318 176.870 0.419 0.000 1.215 136 L CA -0.231 54.818 54.840 0.348 0.000 1.161 136 L CB -0.182 42.048 42.059 0.284 0.000 1.436 136 L HN 0.485 nan 8.230 nan 0.000 0.414 137 D N -0.695 119.943 120.400 0.396 0.000 2.363 137 D HA -0.045 4.595 4.640 -0.000 0.000 0.220 137 D C 0.666 177.026 176.300 0.101 0.000 0.994 137 D CA 0.399 54.603 54.000 0.341 0.000 0.890 137 D CB 0.192 41.243 40.800 0.418 0.000 0.906 137 D HN 0.435 nan 8.370 nan 0.000 0.530 138 T N -3.853 110.761 114.554 0.100 0.000 2.843 138 T HA 0.312 4.662 4.350 -0.000 0.000 0.302 138 T C 0.465 175.230 174.700 0.107 0.000 1.232 138 T CA -0.891 61.203 62.100 -0.009 0.000 1.009 138 T CB 1.395 70.258 68.868 -0.008 0.000 1.254 138 T HN -0.124 nan 8.240 nan 0.000 0.504 139 L N 0.857 122.133 121.223 0.088 0.000 2.093 139 L HA 0.165 4.505 4.340 -0.000 0.000 0.208 139 L C 1.819 178.778 176.870 0.149 0.000 1.085 139 L CA 1.957 56.935 54.840 0.230 0.000 0.755 139 L CB -1.018 41.188 42.059 0.245 0.000 0.904 139 L HN 0.825 nan 8.230 nan 0.000 0.435 140 D N -0.713 119.743 120.400 0.093 0.000 2.309 140 D HA -0.138 4.502 4.640 -0.000 0.000 0.212 140 D C 1.909 178.259 176.300 0.083 0.000 0.968 140 D CA 0.641 54.688 54.000 0.078 0.000 0.882 140 D CB 0.095 40.931 40.800 0.061 0.000 0.918 140 D HN 0.187 nan 8.370 nan 0.000 0.503 141 K N -0.378 120.082 120.400 0.100 0.000 2.305 141 K HA 0.011 4.331 4.320 -0.000 0.000 0.199 141 K C 1.991 178.628 176.600 0.061 0.000 1.047 141 K CA 0.694 57.034 56.287 0.089 0.000 0.976 141 K CB -0.278 32.291 32.500 0.116 0.000 0.765 141 K HN 0.326 nan 8.250 nan 0.000 0.474 142 T N -0.553 114.041 114.554 0.067 0.000 2.759 142 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 142 T C -1.117 173.559 174.700 -0.040 0.000 1.042 142 T CA 0.678 62.772 62.100 -0.010 0.000 1.140 142 T CB -1.276 67.585 68.868 -0.011 0.000 0.864 142 T HN 0.026 nan 8.240 nan 0.000 0.455 143 P HA 0.083 nan 4.420 nan 0.000 0.220 143 P C 1.705 179.000 177.300 -0.008 0.000 1.148 143 P CA 0.504 63.602 63.100 -0.002 0.000 0.803 143 P CB -0.228 31.488 31.700 0.026 0.000 0.782 144 L N -1.453 119.776 121.223 0.010 0.000 2.141 144 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 144 L C 2.301 179.167 176.870 -0.007 0.000 1.094 144 L CA 1.270 56.132 54.840 0.036 0.000 0.763 144 L CB -0.368 41.727 42.059 0.061 0.000 0.908 144 L HN 0.043 nan 8.230 nan 0.000 0.437 145 M N -0.503 119.026 119.600 -0.119 0.000 2.086 145 M HA -0.280 4.200 4.480 -0.000 0.000 0.261 145 M C 2.069 178.182 176.300 -0.312 0.000 1.067 145 M CA 1.924 57.012 55.300 -0.353 0.000 1.116 145 M CB -0.178 32.054 32.600 -0.613 0.000 1.348 145 M HN 0.214 nan 8.290 nan 0.000 0.407 146 E N -0.155 119.908 120.200 -0.229 0.000 2.110 146 E HA -0.296 4.054 4.350 -0.000 0.000 0.193 146 E C 2.021 178.480 176.600 -0.234 0.000 0.988 146 E CA 1.584 57.841 56.400 -0.239 0.000 0.804 146 E CB -0.157 29.500 29.700 -0.071 0.000 0.745 146 E HN 0.693 nan 8.360 nan 0.000 0.458 147 Q N -0.189 119.549 119.800 -0.103 0.000 2.084 147 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 147 Q C 1.917 177.875 176.000 -0.070 0.000 0.978 147 Q CA 2.083 57.856 55.803 -0.049 0.000 0.844 147 Q CB 0.007 28.759 28.738 0.024 0.000 0.898 147 Q HN 0.211 nan 8.270 nan 0.000 0.426 148 T N 1.445 115.982 114.554 -0.027 0.000 2.708 148 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 148 T C 1.807 176.365 174.700 -0.236 0.000 1.037 148 T CA 1.308 63.417 62.100 0.014 0.000 1.146 148 T CB -0.218 68.813 68.868 0.272 0.000 0.865 148 T HN 0.249 nan 8.240 nan 0.000 0.435 149 L N 0.700 121.731 121.223 -0.320 0.000 2.131 149 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 149 L C 3.001 179.480 176.870 -0.653 0.000 1.092 149 L CA 1.029 55.517 54.840 -0.586 0.000 0.759 149 L CB -0.640 40.846 42.059 -0.955 0.000 0.903 149 L HN 0.251 nan 8.230 nan 0.000 0.435 150 A N -0.058 122.450 122.820 -0.519 0.000 1.877 150 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 150 A C 1.928 179.417 177.584 -0.159 0.000 1.186 150 A CA 1.948 53.878 52.037 -0.179 0.000 0.620 150 A CB -0.502 18.469 19.000 -0.048 0.000 0.822 150 A HN 0.330 nan 8.150 nan 0.000 0.443 151 D N 0.117 120.385 120.400 -0.219 0.000 2.123 151 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 151 D C 1.831 177.812 176.300 -0.532 0.000 0.992 151 D CA 1.242 55.100 54.000 -0.237 0.000 0.833 151 D CB -0.377 40.362 40.800 -0.102 0.000 0.954 151 D HN 0.530 nan 8.370 nan 0.000 0.455 152 I N 0.351 120.420 120.570 -0.835 0.000 2.226 152 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 152 I C 2.543 178.462 176.117 -0.329 0.000 1.100 152 I CA 0.788 61.559 61.300 -0.883 0.000 1.374 152 I CB -0.134 37.393 38.000 -0.788 0.000 1.057 152 I HN -0.080 nan 8.210 nan 0.000 0.413 153 R N 0.656 121.048 120.500 -0.180 0.000 2.081 153 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 153 R C 2.267 178.559 176.300 -0.014 0.000 1.131 153 R CA 2.089 58.178 56.100 -0.019 0.000 0.960 153 R CB -0.380 29.990 30.300 0.116 0.000 0.856 153 R HN 0.202 nan 8.270 nan 0.000 0.436 154 T N 0.322 114.856 114.554 -0.033 0.000 2.684 154 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 154 T C 1.773 176.492 174.700 0.031 0.000 1.036 154 T CA 1.487 63.590 62.100 0.004 0.000 1.148 154 T CB -0.390 68.482 68.868 0.008 0.000 0.863 154 T HN 0.489 nan 8.240 nan 0.000 0.436 155 A N 2.251 125.085 122.820 0.023 0.000 1.902 155 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 155 A C 2.199 179.884 177.584 0.169 0.000 1.181 155 A CA 1.446 53.575 52.037 0.154 0.000 0.623 155 A CB -0.598 18.559 19.000 0.261 0.000 0.818 155 A HN 0.383 nan 8.150 nan 0.000 0.443 156 N N -0.118 118.647 118.700 0.108 0.000 2.381 156 N HA -0.121 4.619 4.740 -0.000 0.000 0.182 156 N C 1.555 177.092 175.510 0.045 0.000 1.025 156 N CA 1.150 54.244 53.050 0.074 0.000 0.888 156 N CB -0.286 38.224 38.487 0.039 0.000 0.965 156 N HN 0.581 nan 8.380 nan 0.000 0.438 157 K N 0.823 121.248 120.400 0.042 0.000 2.211 157 K HA 0.018 4.338 4.320 -0.000 0.000 0.203 157 K C -0.052 176.570 176.600 0.036 0.000 1.050 157 K CA 0.735 57.040 56.287 0.031 0.000 0.945 157 K CB 0.123 32.640 32.500 0.028 0.000 0.732 157 K HN 0.097 nan 8.250 nan 0.000 0.451 158 N N 0.486 119.220 118.700 0.056 0.000 2.758 158 N HA 0.069 4.809 4.740 -0.000 0.000 0.293 158 N C 0.291 175.835 175.510 0.057 0.000 1.273 158 N CA 0.669 53.754 53.050 0.058 0.000 1.022 158 N CB 0.843 39.376 38.487 0.076 0.000 1.334 158 N HN 0.417 nan 8.380 nan 0.000 0.519 159 G N -0.437 108.383 108.800 0.033 0.000 2.179 159 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 159 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 159 G C 0.581 175.474 174.900 -0.011 0.000 0.977 159 G CA 0.013 45.120 45.100 0.010 0.000 0.641 159 G HN 0.606 nan 8.290 nan 0.000 0.533 160 G N -0.203 108.619 108.800 0.036 0.000 2.491 160 G HA2 0.406 4.366 3.960 -0.000 0.000 0.242 160 G HA3 0.406 4.366 3.960 -0.000 0.000 0.242 160 G C 0.159 174.994 174.900 -0.109 0.000 1.266 160 G CA 0.548 45.651 45.100 0.004 0.000 0.844 160 G HN 0.798 nan 8.290 nan 0.000 0.571 161 N N 0.194 118.688 118.700 -0.343 0.000 2.646 161 N HA 0.182 4.922 4.740 -0.000 0.000 0.296 161 N C -1.350 173.998 175.510 -0.270 0.000 1.886 161 N CA -0.529 52.386 53.050 -0.225 0.000 0.855 161 N CB 0.110 38.481 38.487 -0.194 0.000 1.336 161 N HN 0.391 nan 8.380 nan 0.000 0.496 162 Y N 0.402 120.724 120.300 0.036 0.000 2.335 162 Y HA 0.720 5.270 4.550 -0.000 0.000 0.323 162 Y C 0.609 176.492 175.900 -0.028 0.000 1.224 162 Y CA -0.880 57.257 58.100 0.062 0.000 1.241 162 Y CB 1.559 40.141 38.460 0.203 0.000 1.235 162 Y HN 0.208 nan 8.280 nan 0.000 0.492 163 A N 1.013 123.922 122.820 0.148 0.000 2.365 163 A HA 0.744 5.064 4.320 -0.000 0.000 0.318 163 A C 0.009 177.545 177.584 -0.079 0.000 1.091 163 A CA -0.362 51.660 52.037 -0.025 0.000 0.763 163 A CB 0.670 19.595 19.000 -0.125 0.000 1.248 163 A HN 0.880 nan 8.150 nan 0.000 0.442 164 G N 0.171 108.878 108.800 -0.154 0.000 2.476 164 G HA2 0.528 4.488 3.960 -0.000 0.000 0.269 164 G HA3 0.528 4.488 3.960 -0.000 0.000 0.269 164 G C -0.560 173.983 174.900 -0.594 0.000 1.195 164 G CA -0.281 44.617 45.100 -0.338 0.000 0.843 164 G HN 0.728 nan 8.290 nan 0.000 0.545 165 Q N 0.184 119.315 119.800 -1.116 0.000 2.290 165 Q HA 0.480 4.820 4.340 -0.000 0.000 0.269 165 Q C -1.604 173.651 176.000 -1.242 0.000 1.016 165 Q CA -0.316 54.753 55.803 -1.223 0.000 0.754 165 Q CB 2.287 30.022 28.738 -1.671 0.000 1.247 165 Q HN 0.472 nan 8.270 nan 0.000 0.451 166 F N 0.201 120.127 119.950 -0.039 0.000 2.613 166 F HA 0.584 5.111 4.527 0.000 0.000 0.314 166 F C -0.362 175.569 175.800 0.218 0.000 1.075 166 F CA -1.102 56.971 58.000 0.122 0.000 0.945 166 F CB 1.556 40.579 39.000 0.039 0.000 1.310 166 F HN 0.106 nan 8.300 nan 0.000 0.467 167 V N 2.680 122.725 119.914 0.217 0.000 2.409 167 V HA 0.404 4.524 4.120 -0.000 0.000 0.291 167 V C -0.560 175.580 176.094 0.077 0.000 1.020 167 V CA -0.919 61.316 62.300 -0.109 0.000 0.848 167 V CB 1.536 32.787 31.823 -0.953 0.000 0.990 167 V HN 0.530 nan 8.190 nan 0.000 0.430 168 V N 5.830 125.829 119.914 0.142 0.000 2.405 168 V HA 0.253 4.373 4.120 -0.000 0.000 0.264 168 V C -0.569 175.765 176.094 0.399 0.000 1.048 168 V CA -0.139 62.341 62.300 0.300 0.000 0.966 168 V CB 0.257 32.236 31.823 0.260 0.000 1.015 168 V HN 0.822 nan 8.190 nan 0.000 0.477 169 Y N 4.201 124.682 120.300 0.303 0.000 2.516 169 Y HA 0.461 5.012 4.550 0.000 0.000 0.329 169 Y C -0.255 175.757 175.900 0.186 0.000 1.095 169 Y CA -0.937 57.306 58.100 0.237 0.000 1.213 169 Y CB 0.959 39.590 38.460 0.286 0.000 1.109 169 Y HN 0.666 nan 8.280 nan 0.000 0.630 170 D N 2.832 123.248 120.400 0.028 0.000 2.996 170 D HA 0.199 4.839 4.640 -0.000 0.000 0.343 170 D C -0.647 175.702 176.300 0.083 0.000 1.574 170 D CA 0.113 54.008 54.000 -0.174 0.000 0.773 170 D CB 0.182 40.594 40.800 -0.645 0.000 1.241 170 D HN 0.437 nan 8.370 nan 0.000 0.469 171 L N 1.730 122.916 121.223 -0.061 0.000 2.483 171 L HA 0.263 4.603 4.340 -0.000 0.000 0.276 171 L C -1.688 175.146 176.870 -0.059 0.000 1.213 171 L CA -1.054 53.626 54.840 -0.268 0.000 0.843 171 L CB 0.380 42.135 42.059 -0.506 0.000 1.107 171 L HN 0.039 nan 8.230 nan 0.000 0.487 172 P HA 0.041 nan 4.420 nan 0.000 0.276 172 P C -0.791 176.592 177.300 0.139 0.000 1.230 172 P CA -0.047 63.121 63.100 0.113 0.000 0.776 172 P CB 0.781 32.533 31.700 0.086 0.000 0.888 173 D N -0.873 119.595 120.400 0.114 0.000 2.746 173 D HA -0.172 4.468 4.640 -0.000 0.000 0.236 173 D C 0.431 176.838 176.300 0.179 0.000 1.129 173 D CA 0.872 54.945 54.000 0.121 0.000 0.691 173 D CB -1.278 39.584 40.800 0.102 0.000 1.077 173 D HN 0.487 nan 8.370 nan 0.000 0.432 174 R N 0.344 120.884 120.500 0.066 0.000 2.679 174 R HA 0.355 4.695 4.340 -0.000 0.000 0.268 174 R C 0.728 177.063 176.300 0.057 0.000 1.044 174 R CA 0.604 56.694 56.100 -0.017 0.000 1.105 174 R CB 0.262 30.435 30.300 -0.211 0.000 0.989 174 R HN 0.382 nan 8.270 nan 0.000 0.447 175 A N 2.809 125.687 122.820 0.097 0.000 2.519 175 A HA -0.207 4.113 4.320 -0.000 0.000 0.297 175 A C 1.493 179.151 177.584 0.123 0.000 1.472 175 A CA 0.837 52.941 52.037 0.112 0.000 0.739 175 A CB -2.444 16.589 19.000 0.054 0.000 1.096 175 A HN 1.109 nan 8.150 nan 0.000 0.414 176 c N -1.694 117.021 118.600 0.192 0.000 2.409 176 c HA 0.200 4.770 4.570 -0.000 0.000 0.288 176 c C 2.531 176.670 174.090 0.082 0.000 1.395 176 c CA 1.136 57.537 56.329 0.119 0.000 1.792 176 c CB -1.726 40.825 42.510 0.068 0.000 1.847 176 c HN 1.954 nan 8.230 nan 0.000 0.534 177 A N 0.746 123.622 122.820 0.094 0.000 2.119 177 A HA 0.543 4.863 4.320 -0.000 0.000 0.216 177 A C 1.450 179.076 177.584 0.070 0.000 1.152 177 A CA 1.014 53.096 52.037 0.074 0.000 0.708 177 A CB -0.589 18.447 19.000 0.060 0.000 0.805 177 A HN 0.989 nan 8.150 nan 0.000 0.460 178 A N 0.035 122.896 122.820 0.068 0.000 2.274 178 A HA 0.564 4.884 4.320 -0.000 0.000 0.309 178 A C 1.065 178.688 177.584 0.065 0.000 1.226 178 A CA -0.530 51.555 52.037 0.079 0.000 0.853 178 A CB 0.405 19.454 19.000 0.082 0.000 1.146 178 A HN 0.283 nan 8.150 nan 0.000 0.518 179 L N 2.317 123.577 121.223 0.063 0.000 1.989 179 L HA -0.051 4.288 4.340 -0.000 0.000 0.211 179 L C 1.590 178.490 176.870 0.049 0.000 1.071 179 L CA 2.478 57.349 54.840 0.051 0.000 0.749 179 L CB -1.173 40.915 42.059 0.048 0.000 0.890 179 L HN 0.790 nan 8.230 nan 0.000 0.431 180 A N -0.221 122.632 122.820 0.055 0.000 2.425 180 A HA 0.130 4.450 4.320 -0.000 0.000 0.242 180 A C 0.588 178.200 177.584 0.048 0.000 1.077 180 A CA 0.384 52.454 52.037 0.054 0.000 0.781 180 A CB -0.031 19.008 19.000 0.065 0.000 1.020 180 A HN 0.415 nan 8.150 nan 0.000 0.494 181 S N 0.869 116.593 115.700 0.041 0.000 2.571 181 S HA -0.051 4.419 4.470 -0.000 0.000 0.297 181 S C 1.225 175.841 174.600 0.028 0.000 1.234 181 S CA 0.021 58.240 58.200 0.031 0.000 1.120 181 S CB -0.448 62.767 63.200 0.025 0.000 0.923 181 S HN 0.794 nan 8.310 nan 0.000 0.504 182 N N 4.143 122.856 118.700 0.022 0.000 2.305 182 N HA 0.081 4.821 4.740 -0.000 0.000 0.179 182 N C 0.764 176.263 175.510 -0.019 0.000 1.019 182 N CA 0.817 53.877 53.050 0.016 0.000 0.869 182 N CB 0.011 38.511 38.487 0.022 0.000 1.000 182 N HN 0.680 nan 8.380 nan 0.000 0.431 183 G N 0.046 108.814 108.800 -0.052 0.000 2.667 183 G HA2 0.261 4.221 3.960 -0.000 0.000 0.310 183 G HA3 0.261 4.221 3.960 -0.000 0.000 0.310 183 G C 0.510 175.334 174.900 -0.127 0.000 1.259 183 G CA -0.203 44.830 45.100 -0.111 0.000 1.019 183 G HN 0.360 nan 8.290 nan 0.000 0.496 184 E N -1.551 118.496 120.200 -0.255 0.000 2.274 184 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 184 E C -0.569 175.854 176.600 -0.296 0.000 0.996 184 E CA 0.613 56.810 56.400 -0.338 0.000 0.840 184 E CB -0.104 29.267 29.700 -0.548 0.000 0.772 184 E HN 0.357 nan 8.360 nan 0.000 0.491 185 Y N 1.309 121.592 120.300 -0.029 0.000 2.446 185 Y HA 0.422 4.972 4.550 0.000 0.000 0.338 185 Y C 0.064 175.963 175.900 -0.002 0.000 1.055 185 Y CA -1.548 56.546 58.100 -0.010 0.000 1.101 185 Y CB 2.086 40.545 38.460 -0.002 0.000 1.221 185 Y HN 0.018 nan 8.280 nan 0.000 0.460 186 S N 1.423 117.234 115.700 0.185 0.000 2.536 186 S HA 0.530 5.000 4.470 -0.000 0.000 0.287 186 S C 0.444 175.089 174.600 0.076 0.000 1.101 186 S CA -0.811 57.450 58.200 0.103 0.000 0.950 186 S CB 0.945 64.187 63.200 0.070 0.000 1.056 186 S HN 0.651 nan 8.310 nan 0.000 0.481 187 I N 1.829 122.430 120.570 0.053 0.000 2.151 187 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 187 I C 2.914 179.041 176.117 0.016 0.000 1.080 187 I CA 1.810 63.126 61.300 0.027 0.000 1.339 187 I CB -0.810 37.196 38.000 0.010 0.000 1.039 187 I HN 0.884 nan 8.210 nan 0.000 0.409 188 A N -0.224 122.607 122.820 0.018 0.000 1.978 188 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 188 A C 1.379 178.973 177.584 0.017 0.000 1.170 188 A CA 1.972 54.017 52.037 0.013 0.000 0.636 188 A CB -0.493 18.515 19.000 0.014 0.000 0.810 188 A HN 0.459 nan 8.150 nan 0.000 0.448 189 D N -1.441 118.976 120.400 0.029 0.000 2.930 189 D HA 0.410 5.050 4.640 -0.000 0.000 0.304 189 D C 0.896 177.210 176.300 0.025 0.000 1.298 189 D CA 0.375 54.394 54.000 0.031 0.000 0.949 189 D CB -0.731 40.097 40.800 0.047 0.000 1.013 189 D HN 0.458 nan 8.370 nan 0.000 0.510 190 G N 1.120 109.922 108.800 0.004 0.000 2.258 190 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.274 190 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.274 190 G C 1.232 176.105 174.900 -0.044 0.000 1.021 190 G CA 0.422 45.510 45.100 -0.020 0.000 0.798 190 G HN 0.616 nan 8.290 nan 0.000 0.507 191 G N -0.582 108.208 108.800 -0.016 0.000 2.440 191 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.218 191 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.218 191 G C 1.783 176.644 174.900 -0.065 0.000 1.154 191 G CA 1.825 46.909 45.100 -0.026 0.000 0.767 191 G HN 0.859 nan 8.290 nan 0.000 0.552 192 V N 1.375 121.267 119.914 -0.037 0.000 2.358 192 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 192 V C 3.305 179.363 176.094 -0.061 0.000 1.047 192 V CA 2.005 64.289 62.300 -0.027 0.000 1.035 192 V CB -0.770 31.034 31.823 -0.033 0.000 0.658 192 V HN 0.483 nan 8.190 nan 0.000 0.452 193 A N -0.330 122.432 122.820 -0.097 0.000 1.930 193 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 193 A C 2.274 179.762 177.584 -0.160 0.000 1.175 193 A CA 1.787 53.749 52.037 -0.126 0.000 0.627 193 A CB -0.387 18.555 19.000 -0.097 0.000 0.815 193 A HN 0.547 nan 8.150 nan 0.000 0.443 194 K N -1.883 118.377 120.400 -0.233 0.000 2.148 194 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 194 K C 1.905 178.234 176.600 -0.453 0.000 1.050 194 K CA 1.464 57.486 56.287 -0.441 0.000 0.942 194 K CB -0.305 31.706 32.500 -0.814 0.000 0.724 194 K HN 0.603 nan 8.250 nan 0.000 0.446 195 Y N 2.341 122.405 120.300 -0.393 0.000 2.200 195 Y HA -0.193 4.356 4.550 -0.000 0.000 0.290 195 Y C 1.775 177.701 175.900 0.042 0.000 1.137 195 Y CA 1.541 59.559 58.100 -0.136 0.000 1.163 195 Y CB 0.126 38.556 38.460 -0.050 0.000 0.988 195 Y HN -0.115 nan 8.280 nan 0.000 0.518 196 K N -0.191 120.181 120.400 -0.048 0.000 2.097 196 K HA -0.234 4.086 4.320 -0.000 0.000 0.206 196 K C 1.917 178.502 176.600 -0.025 0.000 1.049 196 K CA 1.538 57.718 56.287 -0.178 0.000 0.933 196 K CB -0.373 31.757 32.500 -0.617 0.000 0.717 196 K HN 0.307 nan 8.250 nan 0.000 0.442 197 N N 0.715 119.378 118.700 -0.061 0.000 2.166 197 N HA -0.231 4.509 4.740 -0.000 0.000 0.186 197 N C 1.739 177.267 175.510 0.030 0.000 1.019 197 N CA 1.141 54.184 53.050 -0.012 0.000 0.856 197 N CB -0.204 38.263 38.487 -0.033 0.000 0.993 197 N HN 0.263 nan 8.380 nan 0.000 0.426 198 Y N 0.545 120.762 120.300 -0.138 0.000 2.145 198 Y HA -0.059 4.491 4.550 -0.000 0.000 0.286 198 Y C 1.866 177.678 175.900 -0.145 0.000 1.145 198 Y CA 1.367 59.395 58.100 -0.120 0.000 1.148 198 Y CB -0.284 38.089 38.460 -0.145 0.000 0.981 198 Y HN 0.048 nan 8.280 nan 0.000 0.507 199 I N 0.855 121.262 120.570 -0.271 0.000 2.286 199 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 199 I C 1.766 177.787 176.117 -0.160 0.000 1.115 199 I CA 1.455 62.580 61.300 -0.291 0.000 1.392 199 I CB -1.319 36.661 38.000 -0.032 0.000 1.065 199 I HN 0.302 nan 8.210 nan 0.000 0.418 200 D N 0.479 120.865 120.400 -0.024 0.000 2.149 200 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 200 D C 2.162 178.419 176.300 -0.072 0.000 0.990 200 D CA 1.481 55.472 54.000 -0.016 0.000 0.839 200 D CB -0.298 40.527 40.800 0.042 0.000 0.948 200 D HN 0.247 nan 8.370 nan 0.000 0.460 201 T N 0.926 115.423 114.554 -0.096 0.000 2.777 201 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 201 T C 2.191 176.802 174.700 -0.148 0.000 1.040 201 T CA 0.501 62.542 62.100 -0.098 0.000 1.141 201 T CB -0.134 68.689 68.868 -0.075 0.000 0.868 201 T HN 0.156 nan 8.240 nan 0.000 0.444 202 I N 0.641 121.064 120.570 -0.245 0.000 2.226 202 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 202 I C 2.785 178.797 176.117 -0.175 0.000 1.100 202 I CA 1.176 62.321 61.300 -0.259 0.000 1.374 202 I CB -0.407 37.370 38.000 -0.371 0.000 1.057 202 I HN 0.145 nan 8.210 nan 0.000 0.413 203 R N 1.161 121.569 120.500 -0.153 0.000 2.070 203 R HA -0.214 4.126 4.340 -0.000 0.000 0.233 203 R C 2.298 178.551 176.300 -0.079 0.000 1.137 203 R CA 1.710 57.742 56.100 -0.113 0.000 0.945 203 R CB -0.219 30.009 30.300 -0.120 0.000 0.845 203 R HN 0.408 nan 8.270 nan 0.000 0.430 204 Q N 0.078 119.836 119.800 -0.071 0.000 2.152 204 Q HA -0.190 4.150 4.340 -0.000 0.000 0.206 204 Q C 2.181 178.165 176.000 -0.027 0.000 0.985 204 Q CA 1.836 57.611 55.803 -0.047 0.000 0.863 204 Q CB -0.113 28.602 28.738 -0.039 0.000 0.904 204 Q HN 0.489 nan 8.270 nan 0.000 0.422 205 I N -0.413 120.138 120.570 -0.031 0.000 2.233 205 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 205 I C 2.175 178.339 176.117 0.078 0.000 1.093 205 I CA 0.701 62.017 61.300 0.027 0.000 1.380 205 I CB -0.205 37.756 38.000 -0.065 0.000 1.067 205 I HN 0.027 nan 8.210 nan 0.000 0.413 206 V N 0.542 120.454 119.914 -0.003 0.000 2.343 206 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 206 V C 2.453 178.565 176.094 0.029 0.000 1.051 206 V CA 1.443 63.756 62.300 0.020 0.000 1.036 206 V CB -0.366 31.445 31.823 -0.019 0.000 0.654 206 V HN 0.233 nan 8.190 nan 0.000 0.451 207 V N 0.114 120.023 119.914 -0.009 0.000 2.343 207 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 207 V C 2.457 178.520 176.094 -0.050 0.000 1.051 207 V CA 2.356 64.639 62.300 -0.029 0.000 1.036 207 V CB -0.579 31.218 31.823 -0.044 0.000 0.654 207 V HN 0.710 nan 8.190 nan 0.000 0.451 208 E N -0.525 119.639 120.200 -0.059 0.000 2.153 208 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 208 E C 0.900 177.283 176.600 -0.362 0.000 0.988 208 E CA 1.233 57.519 56.400 -0.190 0.000 0.811 208 E CB -0.032 29.557 29.700 -0.186 0.000 0.746 208 E HN 0.742 nan 8.360 nan 0.000 0.466 209 Y N 0.552 120.822 120.300 -0.050 0.000 2.781 209 Y HA 0.177 4.727 4.550 -0.000 0.000 0.326 209 Y C 1.338 177.218 175.900 -0.034 0.000 1.019 209 Y CA -0.023 58.050 58.100 -0.045 0.000 1.372 209 Y CB 0.591 39.020 38.460 -0.052 0.000 1.260 209 Y HN 0.107 nan 8.280 nan 0.000 0.546 210 S N -1.584 114.131 115.700 0.025 0.000 2.507 210 S HA -0.181 4.289 4.470 -0.000 0.000 0.235 210 S C 1.381 175.997 174.600 0.026 0.000 0.988 210 S CA 1.209 59.422 58.200 0.022 0.000 0.944 210 S CB -0.172 63.020 63.200 -0.012 0.000 0.762 210 S HN 0.645 nan 8.310 nan 0.000 0.526 211 D N 0.989 121.405 120.400 0.026 0.000 2.349 211 D HA 0.070 4.710 4.640 -0.000 0.000 0.224 211 D C 0.398 176.724 176.300 0.044 0.000 1.029 211 D CA 0.030 54.044 54.000 0.024 0.000 0.879 211 D CB -0.137 40.667 40.800 0.006 0.000 0.906 211 D HN 0.470 nan 8.370 nan 0.000 0.528 212 I N 0.758 121.369 120.570 0.069 0.000 2.406 212 I HA 0.251 4.421 4.170 -0.000 0.000 0.290 212 I C 0.219 176.353 176.117 0.029 0.000 0.999 212 I CA -1.169 60.158 61.300 0.046 0.000 1.124 212 I CB 2.032 40.063 38.000 0.052 0.000 1.289 212 I HN -0.333 nan 8.210 nan 0.000 0.441 213 R N 3.624 124.120 120.500 -0.006 0.000 2.449 213 R HA 0.237 4.577 4.340 -0.000 0.000 0.296 213 R C -0.796 175.466 176.300 -0.062 0.000 1.047 213 R CA 0.437 56.512 56.100 -0.042 0.000 1.018 213 R CB 0.483 30.719 30.300 -0.107 0.000 0.962 213 R HN 0.564 nan 8.270 nan 0.000 0.428 214 T N 6.366 120.900 114.554 -0.033 0.000 2.791 214 T HA 0.335 4.685 4.350 -0.000 0.000 0.288 214 T C -0.451 174.236 174.700 -0.022 0.000 0.999 214 T CA -0.634 61.473 62.100 0.011 0.000 0.952 214 T CB 0.596 69.528 68.868 0.107 0.000 0.938 214 T HN 0.363 nan 8.240 nan 0.000 0.444 215 L N 4.766 125.943 121.223 -0.077 0.000 2.272 215 L HA 0.616 4.956 4.340 -0.000 0.000 0.289 215 L C -0.512 176.491 176.870 0.222 0.000 1.032 215 L CA -0.788 54.048 54.840 -0.006 0.000 0.810 215 L CB 0.709 42.648 42.059 -0.200 0.000 1.205 215 L HN 0.378 nan 8.230 nan 0.000 0.422 216 L N 3.902 125.321 121.223 0.327 0.000 2.381 216 L HA 0.624 4.964 4.340 -0.000 0.000 0.268 216 L C -0.546 176.523 176.870 0.332 0.000 0.997 216 L CA -0.929 54.127 54.840 0.359 0.000 0.818 216 L CB 2.691 44.889 42.059 0.233 0.000 1.310 216 L HN 0.229 nan 8.230 nan 0.000 0.416 217 V N 4.019 124.051 119.914 0.196 0.000 2.370 217 V HA 0.370 4.490 4.120 -0.000 0.000 0.283 217 V C 0.077 176.190 176.094 0.032 0.000 1.023 217 V CA -0.474 61.834 62.300 0.014 0.000 0.857 217 V CB 1.822 33.455 31.823 -0.317 0.000 0.985 217 V HN 0.400 nan 8.190 nan 0.000 0.443 218 I N 4.768 125.387 120.570 0.082 0.000 2.304 218 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 218 I C 0.562 176.743 176.117 0.107 0.000 1.018 218 I CA -0.420 60.949 61.300 0.114 0.000 1.260 218 I CB 0.765 38.846 38.000 0.136 0.000 1.390 218 I HN 0.679 nan 8.210 nan 0.000 0.475 219 E N 4.584 124.874 120.200 0.151 0.000 2.359 219 E HA -0.193 4.157 4.350 -0.000 0.000 0.157 219 E C -2.306 174.390 176.600 0.160 0.000 1.718 219 E CA 0.097 56.609 56.400 0.187 0.000 0.620 219 E CB -1.134 28.620 29.700 0.089 0.000 1.057 219 E HN 0.406 nan 8.360 nan 0.000 0.322 220 P HA -0.007 nan 4.420 nan 0.000 0.267 220 P C 0.203 177.644 177.300 0.235 0.000 1.200 220 P CA 0.268 63.437 63.100 0.115 0.000 0.772 220 P CB 0.441 32.131 31.700 -0.017 0.000 0.855 221 D N 0.727 121.255 120.400 0.213 0.000 2.697 221 D HA -0.166 4.474 4.640 -0.000 0.000 0.238 221 D C 0.321 176.743 176.300 0.203 0.000 1.152 221 D CA 1.395 55.559 54.000 0.274 0.000 0.666 221 D CB -1.123 39.846 40.800 0.282 0.000 1.037 221 D HN 0.333 nan 8.370 nan 0.000 0.423 222 S N -1.187 114.573 115.700 0.099 0.000 3.730 222 S HA 0.193 4.663 4.470 -0.000 0.000 0.218 222 S C 1.982 176.653 174.600 0.118 0.000 1.053 222 S CA 0.090 58.289 58.200 -0.001 0.000 0.878 222 S CB -0.459 62.561 63.200 -0.299 0.000 1.064 222 S HN 0.179 nan 8.310 nan 0.000 0.583 223 L N 2.305 123.572 121.223 0.073 0.000 2.079 223 L HA 0.009 4.349 4.340 -0.000 0.000 0.210 223 L C 3.159 179.967 176.870 -0.103 0.000 1.081 223 L CA 1.447 56.319 54.840 0.054 0.000 0.752 223 L CB -0.834 41.315 42.059 0.151 0.000 0.896 223 L HN 0.600 nan 8.230 nan 0.000 0.433 224 A N 0.184 122.864 122.820 -0.234 0.000 1.940 224 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 224 A C 2.070 179.351 177.584 -0.506 0.000 1.176 224 A CA 1.833 53.446 52.037 -0.708 0.000 0.631 224 A CB -0.557 17.481 19.000 -1.602 0.000 0.814 224 A HN 0.451 nan 8.150 nan 0.000 0.446 225 N N 0.170 118.823 118.700 -0.079 0.000 2.166 225 N HA -0.091 4.649 4.740 -0.000 0.000 0.186 225 N C 1.625 177.193 175.510 0.097 0.000 1.019 225 N CA 1.299 54.487 53.050 0.229 0.000 0.856 225 N CB -0.402 38.272 38.487 0.312 0.000 0.993 225 N HN 0.532 nan 8.380 nan 0.000 0.426 226 L N 0.459 121.703 121.223 0.034 0.000 2.201 226 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 226 L C 2.076 178.911 176.870 -0.059 0.000 1.105 226 L CA 0.568 55.400 54.840 -0.014 0.000 0.775 226 L CB -0.226 41.829 42.059 -0.006 0.000 0.913 226 L HN -0.024 nan 8.230 nan 0.000 0.440 227 V N -0.709 119.140 119.914 -0.109 0.000 2.446 227 V HA -0.151 3.969 4.120 -0.000 0.000 0.244 227 V C 2.401 178.472 176.094 -0.039 0.000 1.039 227 V CA 2.143 64.370 62.300 -0.122 0.000 1.045 227 V CB -0.319 31.373 31.823 -0.218 0.000 0.681 227 V HN 0.636 nan 8.190 nan 0.000 0.459 228 T N -3.874 110.700 114.554 0.035 0.000 2.969 228 T HA 0.110 4.460 4.350 -0.000 0.000 0.250 228 T C 1.038 175.812 174.700 0.124 0.000 1.021 228 T CA 0.092 62.265 62.100 0.122 0.000 1.003 228 T CB -0.071 68.983 68.868 0.310 0.000 1.040 228 T HN 0.335 nan 8.240 nan 0.000 0.492 229 N N 1.237 120.020 118.700 0.138 0.000 2.321 229 N HA 0.369 5.109 4.740 -0.000 0.000 0.242 229 N C 1.041 176.579 175.510 0.045 0.000 1.141 229 N CA -0.071 53.041 53.050 0.103 0.000 0.864 229 N CB 0.421 38.997 38.487 0.149 0.000 1.100 229 N HN 0.379 nan 8.380 nan 0.000 0.510 230 L N -0.301 120.934 121.223 0.020 0.000 2.456 230 L HA 0.005 4.345 4.340 -0.000 0.000 0.224 230 L C 2.150 179.016 176.870 -0.007 0.000 1.148 230 L CA 0.667 55.502 54.840 -0.009 0.000 0.825 230 L CB -0.291 41.756 42.059 -0.021 0.000 0.937 230 L HN 0.221 nan 8.230 nan 0.000 0.450 231 G N -0.829 107.975 108.800 0.006 0.000 2.534 231 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.217 231 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.217 231 G C 0.710 175.613 174.900 0.005 0.000 1.128 231 G CA 0.208 45.310 45.100 0.004 0.000 0.784 231 G HN 0.236 nan 8.290 nan 0.000 0.542 232 T N 2.058 116.618 114.554 0.010 0.000 2.743 232 T HA 0.336 4.686 4.350 -0.000 0.000 0.293 232 T C -1.460 173.236 174.700 -0.007 0.000 0.945 232 T CA -1.034 61.072 62.100 0.010 0.000 1.030 232 T CB 2.132 71.015 68.868 0.025 0.000 0.912 232 T HN -0.104 nan 8.240 nan 0.000 0.483 233 P HA -0.158 nan 4.420 nan 0.000 0.216 233 P C 1.591 178.870 177.300 -0.034 0.000 1.157 233 P CA 0.973 64.061 63.100 -0.020 0.000 0.880 233 P CB 0.239 31.933 31.700 -0.011 0.000 0.791 234 K N -0.791 119.594 120.400 -0.024 0.000 2.113 234 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 234 K C 1.760 178.308 176.600 -0.087 0.000 1.047 234 K CA 1.810 58.075 56.287 -0.037 0.000 0.928 234 K CB -0.590 31.906 32.500 -0.007 0.000 0.716 234 K HN 0.143 nan 8.250 nan 0.000 0.446 235 c N -0.128 118.426 118.600 -0.077 0.000 2.500 235 c HA 0.089 4.659 4.570 -0.000 0.000 0.279 235 c C 2.845 176.829 174.090 -0.176 0.000 1.288 235 c CA 0.585 56.831 56.329 -0.138 0.000 1.710 235 c CB -0.771 41.713 42.510 -0.043 0.000 2.052 235 c HN 0.655 nan 8.230 nan 0.000 0.488 236 A N 1.435 124.193 122.820 -0.103 0.000 1.883 236 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 236 A C 1.888 179.403 177.584 -0.116 0.000 1.186 236 A CA 2.482 54.463 52.037 -0.093 0.000 0.624 236 A CB -0.939 18.027 19.000 -0.056 0.000 0.822 236 A HN 0.669 nan 8.150 nan 0.000 0.444 237 N N -0.109 118.525 118.700 -0.110 0.000 2.381 237 N HA 0.008 4.748 4.740 -0.000 0.000 0.182 237 N C 1.382 176.800 175.510 -0.153 0.000 1.025 237 N CA 1.524 54.512 53.050 -0.104 0.000 0.888 237 N CB -0.256 38.187 38.487 -0.073 0.000 0.965 237 N HN 0.355 nan 8.380 nan 0.000 0.438 238 A N -0.354 122.309 122.820 -0.263 0.000 2.132 238 A HA 0.017 4.336 4.320 -0.000 0.000 0.213 238 A C 1.975 179.260 177.584 -0.497 0.000 1.154 238 A CA 0.496 52.274 52.037 -0.431 0.000 0.753 238 A CB -0.548 18.007 19.000 -0.741 0.000 0.826 238 A HN 0.496 nan 8.150 nan 0.000 0.469 239 Q N 0.236 119.821 119.800 -0.359 0.000 2.047 239 Q HA -0.277 4.063 4.340 -0.000 0.000 0.211 239 Q C 2.217 178.162 176.000 -0.092 0.000 1.005 239 Q CA 2.688 58.364 55.803 -0.211 0.000 0.866 239 Q CB -0.366 28.296 28.738 -0.126 0.000 0.938 239 Q HN 0.579 nan 8.270 nan 0.000 0.414 240 S N -0.835 114.818 115.700 -0.077 0.000 2.359 240 S HA -0.217 4.253 4.470 -0.000 0.000 0.224 240 S C 1.907 176.506 174.600 -0.001 0.000 1.035 240 S CA 1.548 59.729 58.200 -0.032 0.000 1.018 240 S CB -0.545 62.634 63.200 -0.035 0.000 0.876 240 S HN 0.587 nan 8.310 nan 0.000 0.448 241 A N 0.194 123.010 122.820 -0.006 0.000 1.898 241 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 241 A C 2.017 179.672 177.584 0.118 0.000 1.181 241 A CA 1.490 53.549 52.037 0.037 0.000 0.620 241 A CB -1.086 17.934 19.000 0.032 0.000 0.819 241 A HN 0.638 nan 8.150 nan 0.000 0.442 242 Y N 0.267 120.519 120.300 -0.081 0.000 2.097 242 Y HA -0.186 4.364 4.550 -0.000 0.000 0.282 242 Y C 2.290 178.154 175.900 -0.060 0.000 1.152 242 Y CA 1.153 59.199 58.100 -0.090 0.000 1.136 242 Y CB -0.978 37.449 38.460 -0.055 0.000 0.975 242 Y HN 0.206 nan 8.280 nan 0.000 0.498 243 L N -0.483 120.829 121.223 0.147 0.000 2.083 243 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 243 L C 2.453 179.363 176.870 0.066 0.000 1.083 243 L CA 1.735 56.625 54.840 0.083 0.000 0.752 243 L CB -0.552 41.539 42.059 0.054 0.000 0.899 243 L HN 0.225 nan 8.230 nan 0.000 0.433 244 E N -0.250 119.984 120.200 0.056 0.000 2.072 244 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 244 E C 2.351 179.009 176.600 0.096 0.000 0.985 244 E CA 1.542 57.978 56.400 0.059 0.000 0.801 244 E CB 0.046 29.765 29.700 0.031 0.000 0.750 244 E HN 0.530 nan 8.360 nan 0.000 0.452 245 C N 0.423 119.752 119.300 0.049 0.000 2.446 245 C HA -0.061 4.399 4.460 -0.000 0.000 0.277 245 C C 2.567 177.671 174.990 0.189 0.000 1.275 245 C CA 0.326 59.383 59.018 0.065 0.000 1.727 245 C CB -0.795 26.691 27.740 -0.423 0.000 2.010 245 C HN 0.489 nan 8.230 nan 0.000 0.486 246 I N 1.478 122.094 120.570 0.076 0.000 2.286 246 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 246 I C 2.616 178.819 176.117 0.144 0.000 1.115 246 I CA 1.390 62.763 61.300 0.121 0.000 1.392 246 I CB -0.698 37.347 38.000 0.074 0.000 1.065 246 I HN 0.527 nan 8.210 nan 0.000 0.418 247 N N 0.800 119.576 118.700 0.127 0.000 2.120 247 N HA -0.272 4.468 4.740 -0.000 0.000 0.188 247 N C 2.156 177.747 175.510 0.136 0.000 1.024 247 N CA 1.556 54.665 53.050 0.098 0.000 0.852 247 N CB -0.168 38.366 38.487 0.079 0.000 1.003 247 N HN 0.282 nan 8.380 nan 0.000 0.424 248 Y N 1.637 121.984 120.300 0.078 0.000 2.128 248 Y HA -0.146 4.404 4.550 0.000 0.000 0.284 248 Y C 2.546 178.494 175.900 0.079 0.000 1.154 248 Y CA 1.931 60.079 58.100 0.080 0.000 1.149 248 Y CB -0.780 37.756 38.460 0.126 0.000 0.976 248 Y HN 0.191 nan 8.280 nan 0.000 0.505 249 A N -0.757 122.203 122.820 0.233 0.000 1.865 249 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 249 A C 2.369 179.959 177.584 0.010 0.000 1.191 249 A CA 2.362 54.473 52.037 0.123 0.000 0.623 249 A CB -1.388 17.779 19.000 0.278 0.000 0.826 249 A HN 0.313 nan 8.150 nan 0.000 0.444 250 V N 0.637 120.571 119.914 0.033 0.000 2.407 250 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 250 V C 2.943 178.995 176.094 -0.071 0.000 1.055 250 V CA 2.425 64.719 62.300 -0.009 0.000 1.049 250 V CB -1.380 30.441 31.823 -0.003 0.000 0.662 250 V HN 0.864 nan 8.190 nan 0.000 0.455 251 T N -2.824 111.670 114.554 -0.100 0.000 2.896 251 T HA -0.153 4.196 4.350 -0.000 0.000 0.263 251 T C 1.805 176.396 174.700 -0.182 0.000 1.050 251 T CA 0.751 62.768 62.100 -0.137 0.000 1.140 251 T CB -0.230 68.562 68.868 -0.127 0.000 0.877 251 T HN 0.338 nan 8.240 nan 0.000 0.457 252 Q N 0.923 120.557 119.800 -0.276 0.000 2.230 252 Q HA 0.232 4.572 4.340 -0.000 0.000 0.202 252 Q C 2.016 177.904 176.000 -0.187 0.000 0.963 252 Q CA 0.751 56.368 55.803 -0.311 0.000 0.866 252 Q CB -0.231 28.181 28.738 -0.543 0.000 0.931 252 Q HN 0.557 nan 8.270 nan 0.000 0.452 253 L N 0.718 121.859 121.223 -0.136 0.000 2.700 253 L HA 0.149 4.489 4.340 -0.000 0.000 0.234 253 L C 0.561 177.400 176.870 -0.051 0.000 1.156 253 L CA -0.345 54.446 54.840 -0.082 0.000 0.946 253 L CB -0.073 41.953 42.059 -0.053 0.000 1.216 253 L HN -0.024 nan 8.230 nan 0.000 0.493 254 N N 1.938 120.597 118.700 -0.069 0.000 2.819 254 N HA 0.252 4.992 4.740 -0.000 0.000 0.284 254 N C -0.935 174.548 175.510 -0.046 0.000 1.196 254 N CA 0.281 53.299 53.050 -0.053 0.000 1.114 254 N CB -0.139 38.301 38.487 -0.079 0.000 1.437 254 N HN 0.199 nan 8.380 nan 0.000 0.518 255 L N 2.909 124.120 121.223 -0.021 0.000 2.341 255 L HA 0.507 4.847 4.340 -0.000 0.000 0.267 255 L C -1.288 175.587 176.870 0.009 0.000 1.009 255 L CA -2.306 52.525 54.840 -0.016 0.000 0.819 255 L CB 2.043 44.093 42.059 -0.015 0.000 1.323 255 L HN 0.184 nan 8.230 nan 0.000 0.425 256 P HA -0.188 nan 4.420 nan 0.000 0.217 256 P C 0.649 177.992 177.300 0.072 0.000 1.151 256 P CA 1.338 64.429 63.100 -0.016 0.000 0.849 256 P CB 0.001 31.682 31.700 -0.031 0.000 0.787 257 N N -1.311 117.446 118.700 0.095 0.000 2.336 257 N HA 0.012 4.752 4.740 -0.000 0.000 0.189 257 N C -0.190 175.408 175.510 0.148 0.000 1.113 257 N CA 0.244 53.378 53.050 0.140 0.000 0.858 257 N CB -0.099 38.432 38.487 0.074 0.000 0.970 257 N HN 0.012 nan 8.380 nan 0.000 0.471 258 V N 0.757 120.772 119.914 0.167 0.000 2.547 258 V HA 0.739 4.859 4.120 -0.000 0.000 0.299 258 V C -0.151 176.039 176.094 0.160 0.000 1.040 258 V CA -1.063 61.306 62.300 0.116 0.000 0.913 258 V CB 1.434 33.299 31.823 0.070 0.000 0.992 258 V HN 0.362 nan 8.190 nan 0.000 0.449 259 A N 5.755 128.597 122.820 0.036 0.000 2.357 259 A HA 0.857 5.177 4.320 -0.000 0.000 0.295 259 A C -0.720 176.879 177.584 0.024 0.000 1.121 259 A CA -0.526 51.508 52.037 -0.004 0.000 0.742 259 A CB 1.003 19.888 19.000 -0.192 0.000 1.181 259 A HN 0.788 nan 8.150 nan 0.000 0.454 260 M N 1.830 121.400 119.600 -0.050 0.000 2.436 260 M HA 0.511 4.991 4.480 -0.000 0.000 0.331 260 M C -1.644 174.556 176.300 -0.166 0.000 1.135 260 M CA -0.279 55.029 55.300 0.014 0.000 0.987 260 M CB 1.796 34.424 32.600 0.046 0.000 1.687 260 M HN 0.680 nan 8.290 nan 0.000 0.445 261 Y N 2.431 122.792 120.300 0.102 0.000 2.326 261 Y HA 0.437 4.987 4.550 -0.000 0.000 0.329 261 Y C -0.512 175.408 175.900 0.032 0.000 0.973 261 Y CA -0.602 57.534 58.100 0.060 0.000 1.162 261 Y CB 1.288 39.771 38.460 0.037 0.000 1.147 261 Y HN 0.528 nan 8.280 nan 0.000 0.456 262 L N 3.614 124.922 121.223 0.140 0.000 2.410 262 L HA 0.107 4.447 4.340 -0.000 0.000 0.273 262 L C 0.210 177.091 176.870 0.018 0.000 1.152 262 L CA -0.030 54.871 54.840 0.101 0.000 0.855 262 L CB 0.566 42.711 42.059 0.143 0.000 1.129 262 L HN 0.706 nan 8.230 nan 0.000 0.463 263 D N 3.064 123.494 120.400 0.050 0.000 2.455 263 D HA 0.202 4.842 4.640 -0.000 0.000 0.241 263 D C 0.133 176.443 176.300 0.016 0.000 1.138 263 D CA 0.401 54.422 54.000 0.035 0.000 0.877 263 D CB 1.042 41.880 40.800 0.062 0.000 1.187 263 D HN 0.576 nan 8.370 nan 0.000 0.451 264 A N 3.318 126.141 122.820 0.005 0.000 2.674 264 A HA 0.624 4.944 4.320 -0.000 0.000 0.286 264 A C 0.981 178.686 177.584 0.203 0.000 0.980 264 A CA 0.263 52.321 52.037 0.034 0.000 1.028 264 A CB -0.296 18.509 19.000 -0.326 0.000 1.199 264 A HN 0.964 nan 8.150 nan 0.000 0.499 265 G N 0.787 109.658 108.800 0.118 0.000 2.596 265 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.295 265 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.295 265 G C -0.018 175.044 174.900 0.269 0.000 1.240 265 G CA 1.215 46.399 45.100 0.140 0.000 0.985 265 G HN 2.332 nan 8.290 nan 0.000 0.555 266 H N -3.969 115.147 119.070 0.077 0.000 2.918 266 H HA 0.792 5.348 4.556 -0.000 0.000 0.303 266 H C 1.224 176.241 175.328 -0.519 0.000 1.380 266 H CA 0.438 56.434 56.048 -0.086 0.000 1.134 266 H CB 0.793 30.614 29.762 0.099 0.000 1.842 266 H HN 1.355 nan 8.280 nan 0.000 0.533 267 A N 0.284 122.937 122.820 -0.277 0.000 1.927 267 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 267 A C 2.205 179.488 177.584 -0.502 0.000 1.185 267 A CA 2.190 54.013 52.037 -0.356 0.000 0.639 267 A CB -1.662 17.414 19.000 0.127 0.000 0.820 267 A HN 0.958 nan 8.150 nan 0.000 0.451 268 G N -3.391 105.018 108.800 -0.652 0.000 2.848 268 G HA2 0.027 3.987 3.960 -0.000 0.000 0.208 268 G HA3 0.027 3.987 3.960 -0.000 0.000 0.208 268 G C 1.032 175.598 174.900 -0.557 0.000 1.152 268 G CA 0.758 44.881 45.100 -1.628 0.000 0.789 268 G HN 0.566 nan 8.290 nan 0.000 0.531 269 W N 0.100 120.909 121.300 -0.818 0.000 3.411 269 W HA 0.351 5.010 4.660 -0.000 0.000 0.247 269 W C 1.710 178.112 176.519 -0.195 0.000 0.941 269 W CA 0.369 57.419 57.345 -0.492 0.000 2.293 269 W CB -0.465 28.569 29.460 -0.710 0.000 1.210 269 W HN 0.014 nan 8.180 nan 0.000 0.584 270 L N 0.951 122.093 121.223 -0.135 0.000 2.592 270 L HA 0.242 4.582 4.340 -0.000 0.000 0.227 270 L C 2.182 179.026 176.870 -0.043 0.000 1.127 270 L CA 0.735 55.526 54.840 -0.083 0.000 0.884 270 L CB -0.987 41.050 42.059 -0.038 0.000 1.065 270 L HN 0.139 nan 8.230 nan 0.000 0.457 271 G N -0.409 108.197 108.800 -0.323 0.000 2.448 271 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 271 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 271 G C 0.136 175.036 174.900 0.000 0.000 1.135 271 G CA -0.418 44.561 45.100 -0.202 0.000 0.784 271 G HN 0.188 nan 8.290 nan 0.000 0.543 272 W N 1.019 122.307 121.300 -0.021 0.000 2.343 272 W HA 0.290 4.950 4.660 0.000 0.000 0.337 272 W C -1.153 175.407 176.519 0.069 0.000 1.320 272 W CA -1.653 55.720 57.345 0.047 0.000 1.290 272 W CB 0.274 29.755 29.460 0.036 0.000 1.206 272 W HN 0.047 nan 8.180 nan 0.000 0.565 273 P HA -0.375 nan 4.420 nan 0.000 0.219 273 P C 1.512 178.924 177.300 0.188 0.000 1.161 273 P CA 3.359 66.579 63.100 0.199 0.000 0.909 273 P CB -0.053 31.754 31.700 0.179 0.000 0.793 274 A N -1.079 121.863 122.820 0.203 0.000 2.024 274 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 274 A C 1.927 179.582 177.584 0.117 0.000 1.164 274 A CA 1.890 54.010 52.037 0.138 0.000 0.643 274 A CB -1.105 17.961 19.000 0.110 0.000 0.806 274 A HN 0.196 nan 8.150 nan 0.000 0.451 275 N N -0.679 118.111 118.700 0.151 0.000 2.392 275 N HA -0.008 4.732 4.740 -0.000 0.000 0.177 275 N C 1.635 177.211 175.510 0.110 0.000 1.066 275 N CA 0.617 53.731 53.050 0.107 0.000 0.895 275 N CB -0.237 38.318 38.487 0.114 0.000 0.988 275 N HN 0.648 nan 8.380 nan 0.000 0.457 276 Q N 0.740 120.633 119.800 0.154 0.000 2.045 276 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 276 Q C 1.194 177.278 176.000 0.141 0.000 0.991 276 Q CA 1.800 57.709 55.803 0.175 0.000 0.851 276 Q CB -0.132 28.710 28.738 0.174 0.000 0.911 276 Q HN 0.299 nan 8.270 nan 0.000 0.418 277 D N -0.382 120.090 120.400 0.119 0.000 2.123 277 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 277 D C -0.948 175.359 176.300 0.011 0.000 0.976 277 D CA 0.746 54.820 54.000 0.123 0.000 0.831 277 D CB -0.546 40.343 40.800 0.148 0.000 0.974 277 D HN 0.077 nan 8.370 nan 0.000 0.469 278 P HA -0.062 nan 4.420 nan 0.000 0.216 278 P C 0.958 178.162 177.300 -0.160 0.000 1.150 278 P CA 1.828 64.876 63.100 -0.087 0.000 0.837 278 P CB -0.081 31.586 31.700 -0.055 0.000 0.786 279 A N 0.084 122.831 122.820 -0.122 0.000 1.873 279 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 279 A C 2.330 179.785 177.584 -0.215 0.000 1.186 279 A CA 1.997 53.881 52.037 -0.256 0.000 0.616 279 A CB -1.637 17.363 19.000 0.000 0.000 0.823 279 A HN 0.170 nan 8.150 nan 0.000 0.442 280 A N -0.732 122.129 122.820 0.068 0.000 1.940 280 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 280 A C 2.202 179.800 177.584 0.024 0.000 1.176 280 A CA 1.986 54.139 52.037 0.193 0.000 0.631 280 A CB -0.608 18.539 19.000 0.245 0.000 0.814 280 A HN 0.689 nan 8.150 nan 0.000 0.446 281 Q N -1.019 118.617 119.800 -0.274 0.000 2.079 281 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 281 Q C 1.990 177.880 176.000 -0.183 0.000 0.974 281 Q CA 1.641 57.173 55.803 -0.451 0.000 0.840 281 Q CB -0.244 28.183 28.738 -0.519 0.000 0.898 281 Q HN 0.544 nan 8.270 nan 0.000 0.430 282 L N 0.004 121.089 121.223 -0.230 0.000 2.017 282 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 282 L C 1.847 178.665 176.870 -0.087 0.000 1.073 282 L CA 1.752 56.456 54.840 -0.227 0.000 0.745 282 L CB -0.703 41.112 42.059 -0.405 0.000 0.894 282 L HN 0.233 nan 8.230 nan 0.000 0.432 283 F N 0.177 120.193 119.950 0.110 0.000 2.134 283 F HA -0.126 4.401 4.527 0.000 0.000 0.299 283 F C 2.584 178.603 175.800 0.365 0.000 1.097 283 F CA 1.127 59.274 58.000 0.245 0.000 1.264 283 F CB -1.613 37.543 39.000 0.259 0.000 1.001 283 F HN 0.204 nan 8.300 nan 0.000 0.479 284 A N 0.161 123.290 122.820 0.515 0.000 1.933 284 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 284 A C 2.148 179.884 177.584 0.252 0.000 1.175 284 A CA 1.786 54.105 52.037 0.471 0.000 0.628 284 A CB -0.739 18.497 19.000 0.393 0.000 0.814 284 A HN 0.331 nan 8.150 nan 0.000 0.444 285 N N 0.134 118.924 118.700 0.150 0.000 2.188 285 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 285 N C 1.689 177.229 175.510 0.050 0.000 1.018 285 N CA 1.478 54.571 53.050 0.072 0.000 0.858 285 N CB -0.481 38.020 38.487 0.023 0.000 0.989 285 N HN 0.260 nan 8.380 nan 0.000 0.426 286 V N 0.778 120.743 119.914 0.085 0.000 2.343 286 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 286 V C 2.044 178.119 176.094 -0.031 0.000 1.051 286 V CA 1.385 63.720 62.300 0.058 0.000 1.036 286 V CB -0.686 31.222 31.823 0.142 0.000 0.654 286 V HN 0.260 nan 8.190 nan 0.000 0.451 287 Y N 1.377 121.521 120.300 -0.260 0.000 2.089 287 Y HA -0.255 4.295 4.550 0.000 0.000 0.282 287 Y C 2.543 178.229 175.900 -0.356 0.000 1.139 287 Y CA 2.004 59.761 58.100 -0.571 0.000 1.123 287 Y CB -0.297 37.401 38.460 -1.271 0.000 0.980 287 Y HN 0.136 nan 8.280 nan 0.000 0.493 288 K N -0.217 120.061 120.400 -0.204 0.000 2.097 288 K HA -0.217 4.103 4.320 -0.000 0.000 0.206 288 K C 1.926 178.415 176.600 -0.185 0.000 1.049 288 K CA 1.488 57.652 56.287 -0.206 0.000 0.933 288 K CB -0.368 32.120 32.500 -0.020 0.000 0.717 288 K HN 0.271 nan 8.250 nan 0.000 0.442 289 N N 0.723 119.352 118.700 -0.118 0.000 2.443 289 N HA -0.109 4.631 4.740 -0.000 0.000 0.184 289 N C 0.929 176.370 175.510 -0.115 0.000 1.037 289 N CA 0.936 53.935 53.050 -0.086 0.000 0.896 289 N CB 0.098 38.561 38.487 -0.040 0.000 0.959 289 N HN 0.173 nan 8.380 nan 0.000 0.442 290 A N -1.128 121.580 122.820 -0.187 0.000 2.379 290 A HA 0.366 4.686 4.320 -0.000 0.000 0.236 290 A C 0.589 178.017 177.584 -0.260 0.000 1.272 290 A CA 0.148 52.068 52.037 -0.194 0.000 0.886 290 A CB -0.147 18.734 19.000 -0.199 0.000 0.962 290 A HN 0.096 nan 8.150 nan 0.000 0.504 291 S N -0.387 115.147 115.700 -0.277 0.000 3.748 291 S HA -0.162 4.308 4.470 -0.000 0.000 0.329 291 S C 0.446 174.797 174.600 -0.414 0.000 1.104 291 S CA 0.636 58.672 58.200 -0.273 0.000 0.954 291 S CB -2.432 60.659 63.200 -0.181 0.000 0.910 291 S HN 1.522 nan 8.310 nan 0.000 0.494 292 S N -0.809 114.430 115.700 -0.768 0.000 3.484 292 S HA -0.140 4.330 4.470 -0.000 0.000 0.384 292 S C -1.878 172.304 174.600 -0.696 0.000 0.932 292 S CA 0.551 57.976 58.200 -1.292 0.000 1.293 292 S CB -1.149 61.652 63.200 -0.665 0.000 0.919 292 S HN 0.579 nan 8.310 nan 0.000 0.540 293 P HA 0.082 nan 4.420 nan 0.000 0.261 293 P C 1.010 178.259 177.300 -0.086 0.000 1.183 293 P CA -0.049 62.908 63.100 -0.239 0.000 0.761 293 P CB 0.477 32.064 31.700 -0.188 0.000 0.785 294 R N 3.620 124.085 120.500 -0.058 0.000 2.105 294 R HA -0.171 4.169 4.340 -0.000 0.000 0.239 294 R C 1.956 178.273 176.300 0.028 0.000 1.135 294 R CA 1.852 57.947 56.100 -0.008 0.000 0.967 294 R CB -0.908 29.360 30.300 -0.053 0.000 0.861 294 R HN 0.473 nan 8.270 nan 0.000 0.442 295 A N 1.154 123.986 122.820 0.019 0.000 2.119 295 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 295 A C 1.020 178.642 177.584 0.062 0.000 1.153 295 A CA 0.264 52.342 52.037 0.067 0.000 0.692 295 A CB -0.060 18.969 19.000 0.049 0.000 0.799 295 A HN 0.154 nan 8.150 nan 0.000 0.458 296 L N 0.843 122.109 121.223 0.072 0.000 2.404 296 L HA 0.295 4.635 4.340 -0.000 0.000 0.277 296 L C 1.388 178.362 176.870 0.172 0.000 1.184 296 L CA -0.002 54.898 54.840 0.101 0.000 1.013 296 L CB -0.286 41.848 42.059 0.124 0.000 1.318 296 L HN 0.418 nan 8.230 nan 0.000 0.435 297 R N 2.520 122.997 120.500 -0.039 0.000 2.148 297 R HA 0.239 4.579 4.340 -0.000 0.000 0.227 297 R C 0.810 177.075 176.300 -0.058 0.000 1.103 297 R CA 1.199 57.265 56.100 -0.056 0.000 0.983 297 R CB 0.134 30.278 30.300 -0.260 0.000 0.874 297 R HN 0.722 nan 8.270 nan 0.000 0.451 298 G N -1.107 107.583 108.800 -0.183 0.000 2.552 298 G HA2 0.223 4.183 3.960 -0.000 0.000 0.137 298 G HA3 0.223 4.183 3.960 -0.000 0.000 0.137 298 G C -1.698 173.043 174.900 -0.265 0.000 1.135 298 G CA -0.593 44.304 45.100 -0.338 0.000 1.047 298 G HN 0.040 nan 8.290 nan 0.000 0.501 299 L N 0.346 121.335 121.223 -0.391 0.000 2.354 299 L HA 0.822 5.162 4.340 -0.000 0.000 0.264 299 L C 0.041 176.946 176.870 0.058 0.000 1.008 299 L CA -1.107 53.591 54.840 -0.235 0.000 0.819 299 L CB 2.265 43.997 42.059 -0.545 0.000 1.339 299 L HN 0.870 nan 8.230 nan 0.000 0.420 300 A N 0.708 123.561 122.820 0.054 0.000 2.330 300 A HA 0.831 5.151 4.320 -0.000 0.000 0.327 300 A C -0.307 177.332 177.584 0.091 0.000 1.155 300 A CA -0.388 51.671 52.037 0.037 0.000 0.803 300 A CB 1.444 20.421 19.000 -0.037 0.000 1.208 300 A HN 0.711 nan 8.150 nan 0.000 0.477 301 T N -0.990 113.648 114.554 0.140 0.000 2.916 301 T HA 0.532 4.882 4.350 -0.000 0.000 0.292 301 T C 0.222 175.050 174.700 0.214 0.000 1.064 301 T CA -0.182 62.069 62.100 0.251 0.000 1.011 301 T CB 1.312 70.422 68.868 0.405 0.000 1.152 301 T HN 1.231 nan 8.240 nan 0.000 0.510 302 N N -0.372 118.492 118.700 0.274 0.000 2.753 302 N HA -0.157 4.583 4.740 -0.000 0.000 0.251 302 N C -0.264 175.303 175.510 0.096 0.000 1.097 302 N CA 0.854 54.022 53.050 0.197 0.000 0.786 302 N CB -1.648 36.955 38.487 0.193 0.000 1.137 302 N HN 0.708 nan 8.380 nan 0.000 0.566 303 V N 0.569 120.547 119.914 0.106 0.000 2.509 303 V HA 0.265 4.385 4.120 -0.000 0.000 0.297 303 V C 1.718 177.852 176.094 0.068 0.000 1.014 303 V CA 1.025 63.367 62.300 0.072 0.000 1.127 303 V CB 0.096 31.951 31.823 0.055 0.000 0.925 303 V HN 0.660 nan 8.190 nan 0.000 0.480 304 A N 3.674 126.502 122.820 0.014 0.000 3.153 304 A HA -0.211 4.109 4.320 -0.000 0.000 0.265 304 A C 0.799 178.203 177.584 -0.299 0.000 1.212 304 A CA 1.482 53.453 52.037 -0.110 0.000 1.018 304 A CB -1.937 17.035 19.000 -0.046 0.000 1.130 304 A HN 0.752 nan 8.150 nan 0.000 0.873 305 N N -2.492 116.040 118.700 -0.281 0.000 2.725 305 N HA 0.703 5.443 4.740 -0.000 0.000 0.312 305 N C 0.049 175.262 175.510 -0.496 0.000 1.295 305 N CA 0.152 52.975 53.050 -0.379 0.000 0.914 305 N CB 0.551 38.882 38.487 -0.260 0.000 1.177 305 N HN 0.227 nan 8.380 nan 0.000 0.601 306 Y N -0.955 119.349 120.300 0.006 0.000 2.641 306 Y HA 0.341 4.891 4.550 -0.000 0.000 0.248 306 Y C -0.115 175.850 175.900 0.108 0.000 1.170 306 Y CA -0.802 57.326 58.100 0.046 0.000 1.201 306 Y CB -0.311 38.165 38.460 0.026 0.000 1.232 306 Y HN 0.166 nan 8.280 nan 0.000 0.537 307 N N 1.487 120.356 118.700 0.283 0.000 2.416 307 N HA 0.128 4.868 4.740 -0.000 0.000 0.246 307 N C 0.669 176.345 175.510 0.277 0.000 1.260 307 N CA 0.641 53.891 53.050 0.333 0.000 0.897 307 N CB 0.807 39.532 38.487 0.397 0.000 1.110 307 N HN 0.426 nan 8.380 nan 0.000 0.439 308 G N -0.083 108.871 108.800 0.257 0.000 2.503 308 G HA2 0.049 4.009 3.960 -0.000 0.000 0.257 308 G HA3 0.049 4.009 3.960 -0.000 0.000 0.257 308 G C 0.788 175.850 174.900 0.271 0.000 1.214 308 G CA -0.744 44.492 45.100 0.226 0.000 0.839 308 G HN 0.790 nan 8.290 nan 0.000 0.559 309 W N 2.329 123.703 121.300 0.124 0.000 2.407 309 W HA -0.056 4.604 4.660 -0.000 0.000 0.305 309 W C 0.358 176.946 176.519 0.115 0.000 1.196 309 W CA 1.166 58.601 57.345 0.150 0.000 1.311 309 W CB 0.283 29.867 29.460 0.207 0.000 1.135 309 W HN 0.608 nan 8.180 nan 0.000 0.514 310 N N 0.804 119.350 118.700 -0.257 0.000 2.547 310 N HA 0.086 4.826 4.740 -0.000 0.000 0.285 310 N C -0.185 175.244 175.510 -0.136 0.000 1.600 310 N CA -0.217 52.574 53.050 -0.432 0.000 0.872 310 N CB -1.437 36.723 38.487 -0.546 0.000 1.412 310 N HN 0.267 nan 8.380 nan 0.000 0.489 311 I N -1.508 119.051 120.570 -0.019 0.000 2.872 311 I HA 0.136 4.306 4.170 -0.000 0.000 0.291 311 I C 1.148 177.331 176.117 0.109 0.000 1.216 311 I CA -0.136 61.201 61.300 0.061 0.000 1.424 311 I CB 0.581 38.645 38.000 0.106 0.000 1.351 311 I HN 0.096 nan 8.210 nan 0.000 0.592 312 T N 0.427 115.029 114.554 0.081 0.000 3.057 312 T HA 0.141 4.491 4.350 -0.000 0.000 0.254 312 T C 0.747 175.502 174.700 0.092 0.000 1.094 312 T CA -0.022 62.130 62.100 0.087 0.000 1.088 312 T CB -0.094 68.787 68.868 0.023 0.000 0.934 312 T HN 0.585 nan 8.240 nan 0.000 0.497 313 S N 3.092 118.791 115.700 -0.002 0.000 2.502 313 S HA 0.541 5.011 4.470 -0.000 0.000 0.304 313 S C -2.859 171.441 174.600 -0.499 0.000 1.097 313 S CA -1.307 56.772 58.200 -0.201 0.000 1.045 313 S CB 1.950 65.052 63.200 -0.163 0.000 1.019 313 S HN 0.223 nan 8.310 nan 0.000 0.481 314 P HA 0.267 nan 4.420 nan 0.000 0.271 314 P C -2.736 174.135 177.300 -0.715 0.000 1.233 314 P CA -1.151 61.208 63.100 -1.234 0.000 0.764 314 P CB -0.414 30.552 31.700 -1.223 0.000 0.825 315 P HA -0.021 nan 4.420 nan 0.000 0.270 315 P C 1.420 178.216 177.300 -0.839 0.000 1.223 315 P CA 0.036 62.625 63.100 -0.852 0.000 0.785 315 P CB 0.282 31.148 31.700 -1.392 0.000 0.923 316 S N 1.159 116.479 115.700 -0.633 0.000 2.383 316 S HA -0.258 4.212 4.470 -0.000 0.000 0.229 316 S C 1.711 176.116 174.600 -0.325 0.000 1.030 316 S CA 1.506 59.484 58.200 -0.370 0.000 1.002 316 S CB -1.655 61.433 63.200 -0.187 0.000 0.829 316 S HN 0.589 nan 8.310 nan 0.000 0.467 317 Y N 2.634 122.817 120.300 -0.194 0.000 2.632 317 Y HA 0.219 4.769 4.550 0.000 0.000 0.301 317 Y C 2.128 177.896 175.900 -0.219 0.000 1.172 317 Y CA 0.564 58.576 58.100 -0.148 0.000 1.328 317 Y CB -1.650 36.725 38.460 -0.142 0.000 1.016 317 Y HN 0.425 nan 8.280 nan 0.000 0.529 318 T N -3.599 110.621 114.554 -0.556 0.000 3.122 318 T HA 0.060 4.410 4.350 -0.000 0.000 0.250 318 T C 0.549 175.188 174.700 -0.101 0.000 1.067 318 T CA -0.421 61.324 62.100 -0.592 0.000 0.966 318 T CB -0.206 68.072 68.868 -0.983 0.000 1.002 318 T HN 0.141 nan 8.240 nan 0.000 0.542 319 Q N 1.357 121.138 119.800 -0.032 0.000 2.436 319 Q HA 0.215 4.555 4.340 -0.000 0.000 0.326 319 Q C 1.546 177.697 176.000 0.251 0.000 1.079 319 Q CA 1.855 57.694 55.803 0.060 0.000 1.049 319 Q CB 0.065 28.843 28.738 0.066 0.000 1.047 319 Q HN 0.808 nan 8.270 nan 0.000 0.386 320 G N 3.304 112.213 108.800 0.180 0.000 2.234 320 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.235 320 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.235 320 G C 0.265 175.299 174.900 0.224 0.000 0.997 320 G CA 0.108 45.394 45.100 0.310 0.000 0.623 320 G HN 0.561 nan 8.290 nan 0.000 0.514 321 N N 0.971 119.581 118.700 -0.150 0.000 2.437 321 N HA 0.680 5.420 4.740 -0.000 0.000 0.259 321 N C 1.202 176.645 175.510 -0.112 0.000 0.983 321 N CA 0.542 53.276 53.050 -0.526 0.000 0.937 321 N CB 1.239 38.973 38.487 -1.254 0.000 1.122 321 N HN 0.484 nan 8.380 nan 0.000 0.499 322 A N 3.092 125.894 122.820 -0.029 0.000 2.015 322 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 322 A C 0.649 178.257 177.584 0.040 0.000 1.163 322 A CA 0.734 52.810 52.037 0.066 0.000 0.646 322 A CB 0.016 19.044 19.000 0.046 0.000 0.806 322 A HN 0.434 nan 8.150 nan 0.000 0.448 323 V N 1.737 121.626 119.914 -0.041 0.000 2.222 323 V HA 0.086 4.206 4.120 -0.000 0.000 0.253 323 V C 0.419 176.532 176.094 0.031 0.000 1.210 323 V CA -0.095 62.163 62.300 -0.069 0.000 1.079 323 V CB -1.236 30.567 31.823 -0.034 0.000 1.265 323 V HN 0.670 nan 8.190 nan 0.000 0.494 324 Y N 1.916 122.236 120.300 0.033 0.000 2.485 324 Y HA 0.467 5.017 4.550 -0.000 0.000 0.260 324 Y C 0.430 176.401 175.900 0.119 0.000 1.173 324 Y CA -1.201 56.950 58.100 0.085 0.000 1.252 324 Y CB -0.250 38.124 38.460 -0.144 0.000 1.123 324 Y HN 0.646 nan 8.280 nan 0.000 0.524 325 N N -1.632 117.001 118.700 -0.111 0.000 2.525 325 N HA 0.171 4.911 4.740 -0.000 0.000 0.270 325 N C 0.177 175.706 175.510 0.031 0.000 1.321 325 N CA -0.724 52.316 53.050 -0.016 0.000 0.797 325 N CB 0.867 39.241 38.487 -0.189 0.000 1.529 325 N HN -0.091 nan 8.380 nan 0.000 0.491 326 E N 0.385 120.665 120.200 0.133 0.000 2.106 326 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 326 E C 1.106 177.740 176.600 0.057 0.000 0.984 326 E CA 1.078 57.628 56.400 0.249 0.000 0.806 326 E CB -0.105 29.869 29.700 0.456 0.000 0.750 326 E HN 0.774 nan 8.360 nan 0.000 0.458 327 K N 0.968 121.138 120.400 -0.384 0.000 2.057 327 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 327 K C 2.280 178.752 176.600 -0.213 0.000 1.049 327 K CA 0.870 56.770 56.287 -0.643 0.000 0.931 327 K CB -0.120 31.643 32.500 -1.228 0.000 0.714 327 K HN 0.042 nan 8.250 nan 0.000 0.440 328 L N 0.129 121.218 121.223 -0.224 0.000 2.093 328 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 328 L C 2.522 179.380 176.870 -0.021 0.000 1.085 328 L CA 1.063 55.817 54.840 -0.142 0.000 0.755 328 L CB -0.543 41.370 42.059 -0.243 0.000 0.904 328 L HN 0.287 nan 8.230 nan 0.000 0.435 329 Y N 1.452 121.673 120.300 -0.131 0.000 2.163 329 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 329 Y C 2.400 178.186 175.900 -0.191 0.000 1.136 329 Y CA 1.714 59.755 58.100 -0.098 0.000 1.147 329 Y CB -0.407 38.037 38.460 -0.028 0.000 0.987 329 Y HN 0.216 nan 8.280 nan 0.000 0.509 330 I N -2.477 117.753 120.570 -0.567 0.000 2.394 330 I HA -0.236 3.934 4.170 -0.000 0.000 0.251 330 I C 1.957 177.566 176.117 -0.846 0.000 1.136 330 I CA 1.733 62.341 61.300 -1.154 0.000 1.425 330 I CB -0.795 36.269 38.000 -1.560 0.000 1.079 330 I HN 0.147 nan 8.210 nan 0.000 0.425 331 H N 1.364 120.195 119.070 -0.399 0.000 2.502 331 H HA 0.184 4.740 4.556 0.000 0.000 0.283 331 H C 2.354 177.577 175.328 -0.175 0.000 1.015 331 H CA 1.281 57.178 56.048 -0.251 0.000 1.298 331 H CB 0.395 30.044 29.762 -0.189 0.000 1.411 331 H HN 0.550 nan 8.280 nan 0.000 0.556 332 A N 0.541 123.318 122.820 -0.071 0.000 1.911 332 A HA 0.017 4.337 4.320 -0.000 0.000 0.212 332 A C 2.354 179.922 177.584 -0.027 0.000 1.189 332 A CA 0.389 52.418 52.037 -0.014 0.000 0.639 332 A CB -0.288 18.739 19.000 0.046 0.000 0.839 332 A HN 0.319 nan 8.150 nan 0.000 0.449 333 I N -0.668 119.837 120.570 -0.108 0.000 2.716 333 I HA 0.021 4.191 4.170 -0.000 0.000 0.259 333 I C 2.229 178.327 176.117 -0.032 0.000 1.172 333 I CA 0.871 62.143 61.300 -0.046 0.000 1.478 333 I CB -0.199 37.748 38.000 -0.088 0.000 1.104 333 I HN 0.339 nan 8.210 nan 0.000 0.439 334 G N 2.015 110.769 108.800 -0.077 0.000 2.545 334 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 334 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 334 G C -0.628 174.226 174.900 -0.078 0.000 1.218 334 G CA 0.977 46.063 45.100 -0.024 0.000 0.787 334 G HN 0.308 nan 8.290 nan 0.000 0.571 335 P HA -0.043 nan 4.420 nan 0.000 0.218 335 P C 2.008 179.291 177.300 -0.029 0.000 1.148 335 P CA 0.735 63.807 63.100 -0.046 0.000 0.822 335 P CB -0.119 31.566 31.700 -0.025 0.000 0.784 336 L N -1.849 119.379 121.223 0.008 0.000 2.093 336 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 336 L C 2.367 179.319 176.870 0.137 0.000 1.085 336 L CA 1.113 55.994 54.840 0.069 0.000 0.755 336 L CB -0.932 41.215 42.059 0.145 0.000 0.904 336 L HN -0.011 nan 8.230 nan 0.000 0.435 337 L N -0.142 121.127 121.223 0.076 0.000 2.046 337 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 337 L C 2.912 179.834 176.870 0.087 0.000 1.077 337 L CA 1.188 56.077 54.840 0.081 0.000 0.747 337 L CB -0.698 41.238 42.059 -0.206 0.000 0.896 337 L HN 0.243 nan 8.230 nan 0.000 0.432 338 A N 0.308 123.120 122.820 -0.014 0.000 1.877 338 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 338 A C 2.004 179.590 177.584 0.004 0.000 1.186 338 A CA 1.795 53.829 52.037 -0.004 0.000 0.620 338 A CB -0.579 18.392 19.000 -0.048 0.000 0.822 338 A HN 0.451 nan 8.150 nan 0.000 0.443 339 N N -0.041 118.620 118.700 -0.064 0.000 2.348 339 N HA -0.125 4.615 4.740 -0.000 0.000 0.185 339 N C 0.753 176.123 175.510 -0.234 0.000 1.019 339 N CA 1.136 54.082 53.050 -0.174 0.000 0.880 339 N CB -0.441 37.874 38.487 -0.287 0.000 0.965 339 N HN 0.615 nan 8.380 nan 0.000 0.437 340 H N -1.075 118.042 119.070 0.078 0.000 2.505 340 H HA 0.294 4.850 4.556 0.000 0.000 0.289 340 H C 1.143 176.550 175.328 0.131 0.000 1.052 340 H CA 0.562 56.669 56.048 0.099 0.000 1.156 340 H CB 0.357 30.185 29.762 0.110 0.000 1.507 340 H HN 0.309 nan 8.280 nan 0.000 0.548 341 G N 0.540 109.462 108.800 0.203 0.000 2.179 341 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 341 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 341 G C -0.328 174.743 174.900 0.284 0.000 0.990 341 G CA -0.124 45.101 45.100 0.209 0.000 0.646 341 G HN 0.337 nan 8.290 nan 0.000 0.517 342 W N 3.155 124.465 121.300 0.016 0.000 2.394 342 W HA 0.789 5.449 4.660 0.000 0.000 0.312 342 W C -0.110 176.288 176.519 -0.202 0.000 0.981 342 W CA -1.237 56.003 57.345 -0.176 0.000 1.519 342 W CB 0.638 29.914 29.460 -0.307 0.000 1.304 342 W HN 0.063 nan 8.180 nan 0.000 0.412 343 S N 3.292 119.112 115.700 0.200 0.000 2.687 343 S HA 0.248 4.718 4.470 -0.000 0.000 0.283 343 S C 0.203 174.810 174.600 0.013 0.000 1.170 343 S CA -0.363 57.858 58.200 0.036 0.000 1.008 343 S CB 0.941 64.177 63.200 0.060 0.000 1.026 343 S HN 0.498 nan 8.310 nan 0.000 0.541 344 N N -0.311 118.321 118.700 -0.114 0.000 2.747 344 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 344 N C -0.575 174.814 175.510 -0.201 0.000 1.107 344 N CA 0.689 53.688 53.050 -0.087 0.000 0.707 344 N CB -1.202 37.400 38.487 0.190 0.000 1.054 344 N HN 0.688 nan 8.380 nan 0.000 0.555 345 A N -0.093 122.352 122.820 -0.626 0.000 2.301 345 A HA 0.705 5.025 4.320 -0.000 0.000 0.298 345 A C -0.109 176.908 177.584 -0.945 0.000 1.185 345 A CA -0.069 51.448 52.037 -0.867 0.000 0.830 345 A CB 0.429 18.413 19.000 -1.692 0.000 1.112 345 A HN 0.213 nan 8.150 nan 0.000 0.508 346 F N 0.410 120.061 119.950 -0.497 0.000 2.613 346 F HA 0.832 5.359 4.527 -0.000 0.000 0.342 346 F C -0.340 175.215 175.800 -0.409 0.000 1.066 346 F CA -0.617 57.239 58.000 -0.241 0.000 1.002 346 F CB 1.610 40.626 39.000 0.027 0.000 1.319 346 F HN 0.487 nan 8.300 nan 0.000 0.495 347 F N 0.736 120.787 119.950 0.169 0.000 2.620 347 F HA 0.727 5.254 4.527 0.000 0.000 0.320 347 F C -0.436 175.291 175.800 -0.121 0.000 1.069 347 F CA -1.533 56.497 58.000 0.049 0.000 0.953 347 F CB 1.707 40.648 39.000 -0.097 0.000 1.322 347 F HN 0.266 nan 8.300 nan 0.000 0.479 348 I N -1.132 119.393 120.570 -0.074 0.000 2.619 348 I HA 0.816 4.986 4.170 -0.000 0.000 0.292 348 I C -1.306 174.714 176.117 -0.161 0.000 1.100 348 I CA -0.540 60.550 61.300 -0.350 0.000 1.043 348 I CB 2.384 39.970 38.000 -0.690 0.000 1.239 348 I HN 0.448 nan 8.210 nan 0.000 0.420 349 T N 3.005 117.470 114.554 -0.147 0.000 2.848 349 T HA 0.252 4.602 4.350 -0.000 0.000 0.285 349 T C -0.806 173.931 174.700 0.061 0.000 0.995 349 T CA -0.272 61.841 62.100 0.021 0.000 0.970 349 T CB 1.598 70.553 68.868 0.145 0.000 0.976 349 T HN 0.649 nan 8.240 nan 0.000 0.441 350 D N 2.006 122.451 120.400 0.076 0.000 2.390 350 D HA 0.123 4.763 4.640 -0.000 0.000 0.249 350 D C 0.288 176.667 176.300 0.132 0.000 1.144 350 D CA 0.152 54.208 54.000 0.094 0.000 0.880 350 D CB 0.856 41.681 40.800 0.041 0.000 1.182 350 D HN 0.325 nan 8.370 nan 0.000 0.451 351 Q N 2.164 122.057 119.800 0.155 0.000 2.064 351 Q HA 0.172 4.512 4.340 -0.000 0.000 0.213 351 Q C 1.457 177.401 176.000 -0.093 0.000 0.779 351 Q CA -0.109 55.766 55.803 0.119 0.000 1.032 351 Q CB 1.165 30.020 28.738 0.196 0.000 1.203 351 Q HN 0.658 nan 8.270 nan 0.000 0.457 352 G N 1.100 109.667 108.800 -0.387 0.000 2.479 352 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 352 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 352 G C 1.203 175.765 174.900 -0.564 0.000 1.115 352 G CA 0.422 44.883 45.100 -1.065 0.000 0.757 352 G HN 0.135 nan 8.290 nan 0.000 0.560 353 R N -0.440 119.898 120.500 -0.269 0.000 2.615 353 R HA 0.224 4.564 4.340 -0.000 0.000 0.448 353 R C 0.518 176.838 176.300 0.034 0.000 1.009 353 R CA -0.035 55.986 56.100 -0.130 0.000 1.111 353 R CB 0.813 31.060 30.300 -0.090 0.000 1.461 353 R HN 0.152 nan 8.270 nan 0.000 0.587 354 S N -0.311 115.403 115.700 0.023 0.000 2.539 354 S HA 0.063 4.533 4.470 -0.000 0.000 0.221 354 S C 1.640 176.292 174.600 0.088 0.000 0.987 354 S CA 0.103 58.365 58.200 0.104 0.000 0.929 354 S CB 1.124 64.403 63.200 0.133 0.000 0.832 354 S HN 0.552 nan 8.310 nan 0.000 0.492 355 G N 1.970 110.803 108.800 0.056 0.000 2.462 355 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.220 355 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.220 355 G C 0.536 175.457 174.900 0.036 0.000 1.121 355 G CA 0.592 45.727 45.100 0.059 0.000 0.758 355 G HN 0.411 nan 8.290 nan 0.000 0.559 356 K N 0.564 120.974 120.400 0.018 0.000 2.307 356 K HA 0.379 4.699 4.320 -0.000 0.000 0.263 356 K C -0.935 175.681 176.600 0.026 0.000 0.973 356 K CA -0.545 55.745 56.287 0.003 0.000 0.846 356 K CB 0.762 33.239 32.500 -0.037 0.000 1.100 356 K HN -0.057 nan 8.250 nan 0.000 0.438 357 Q N 4.021 123.838 119.800 0.028 0.000 2.323 357 Q HA 0.395 4.735 4.340 -0.000 0.000 0.271 357 Q C -2.206 173.800 176.000 0.009 0.000 1.048 357 Q CA -1.817 54.011 55.803 0.043 0.000 0.792 357 Q CB 1.711 30.483 28.738 0.056 0.000 1.280 357 Q HN 0.717 nan 8.270 nan 0.000 0.441 358 P HA 0.172 nan 4.420 nan 0.000 0.274 358 P C -0.050 177.307 177.300 0.095 0.000 1.256 358 P CA -0.196 62.948 63.100 0.072 0.000 0.795 358 P CB 0.618 32.326 31.700 0.013 0.000 1.038 359 T N -3.565 111.079 114.554 0.150 0.000 2.833 359 T HA 0.384 4.734 4.350 -0.000 0.000 0.292 359 T C 1.282 175.943 174.700 -0.067 0.000 1.031 359 T CA -0.036 62.046 62.100 -0.031 0.000 0.937 359 T CB 0.123 68.888 68.868 -0.173 0.000 1.256 359 T HN 0.453 nan 8.240 nan 0.000 0.551 360 G N -0.659 108.043 108.800 -0.165 0.000 3.233 360 G HA2 0.161 4.121 3.960 -0.000 0.000 0.227 360 G HA3 0.161 4.121 3.960 -0.000 0.000 0.227 360 G C 0.330 175.112 174.900 -0.197 0.000 1.175 360 G CA -0.407 44.608 45.100 -0.141 0.000 0.781 360 G HN 0.717 nan 8.290 nan 0.000 0.542 361 Q N 0.128 119.717 119.800 -0.351 0.000 2.274 361 Q HA 0.126 4.466 4.340 -0.000 0.000 0.280 361 Q C 0.972 176.817 176.000 -0.257 0.000 1.047 361 Q CA 0.205 55.754 55.803 -0.424 0.000 0.907 361 Q CB 0.840 29.122 28.738 -0.760 0.000 1.171 361 Q HN 0.388 nan 8.270 nan 0.000 0.381 362 Q N 1.446 121.168 119.800 -0.129 0.000 2.398 362 Q HA -0.035 4.305 4.340 -0.000 0.000 0.204 362 Q C -0.140 175.876 176.000 0.026 0.000 0.932 362 Q CA 0.571 56.358 55.803 -0.027 0.000 0.916 362 Q CB 0.623 29.342 28.738 -0.031 0.000 1.024 362 Q HN 0.396 nan 8.270 nan 0.000 0.504 363 Q N -1.647 118.154 119.800 0.002 0.000 2.315 363 Q HA 0.078 4.418 4.340 -0.000 0.000 0.273 363 Q C -0.922 175.167 176.000 0.148 0.000 1.053 363 Q CA -0.496 55.372 55.803 0.110 0.000 0.817 363 Q CB 0.835 29.627 28.738 0.091 0.000 1.326 363 Q HN 0.110 nan 8.270 nan 0.000 0.423 364 W N 3.349 124.710 121.300 0.103 0.000 2.350 364 W HA 0.017 4.677 4.660 0.000 0.000 0.289 364 W C 1.198 177.792 176.519 0.125 0.000 1.215 364 W CA 2.175 59.597 57.345 0.128 0.000 1.236 364 W CB -0.262 29.410 29.460 0.355 0.000 1.130 364 W HN 0.838 nan 8.180 nan 0.000 0.541 365 G N -0.393 108.602 108.800 0.325 0.000 2.848 365 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.208 365 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.208 365 G C -0.002 175.018 174.900 0.199 0.000 1.152 365 G CA -0.045 45.175 45.100 0.200 0.000 0.789 365 G HN -0.017 nan 8.290 nan 0.000 0.531 366 D N 0.884 121.354 120.400 0.118 0.000 2.338 366 D HA 0.099 4.739 4.640 -0.000 0.000 0.255 366 D C 1.086 177.375 176.300 -0.019 0.000 1.237 366 D CA -0.470 53.508 54.000 -0.036 0.000 0.883 366 D CB 0.328 41.074 40.800 -0.090 0.000 1.087 366 D HN 0.621 nan 8.370 nan 0.000 0.485 367 W N 1.082 122.401 121.300 0.032 0.000 2.998 367 W HA 0.207 4.867 4.660 -0.000 0.000 0.336 367 W C -0.199 176.403 176.519 0.138 0.000 1.112 367 W CA -0.624 56.792 57.345 0.118 0.000 1.682 367 W CB -0.452 29.017 29.460 0.015 0.000 1.065 367 W HN 0.199 nan 8.180 nan 0.000 0.570 368 c N 5.342 123.668 118.600 -0.458 0.000 2.325 368 c HA 0.216 4.786 4.570 -0.000 0.000 0.347 368 c C 1.042 175.070 174.090 -0.104 0.000 1.263 368 c CA -0.345 55.799 56.329 -0.308 0.000 1.806 368 c CB -1.207 40.877 42.510 -0.709 0.000 2.405 368 c HN 0.343 nan 8.230 nan 0.000 0.537 369 N N 3.973 122.656 118.700 -0.029 0.000 2.700 369 N HA -0.158 4.582 4.740 -0.000 0.000 0.265 369 N C -0.107 175.459 175.510 0.094 0.000 0.975 369 N CA 0.584 53.544 53.050 -0.150 0.000 0.800 369 N CB -0.854 37.636 38.487 0.005 0.000 0.908 369 N HN 0.608 nan 8.380 nan 0.000 0.551 370 V N 1.541 121.451 119.914 -0.007 0.000 2.617 370 V HA -0.028 4.092 4.120 -0.000 0.000 0.304 370 V C 1.626 177.690 176.094 -0.050 0.000 1.040 370 V CA -0.190 61.974 62.300 -0.226 0.000 1.149 370 V CB 0.212 31.504 31.823 -0.886 0.000 0.914 370 V HN 0.329 nan 8.190 nan 0.000 0.487 371 I N 1.944 122.454 120.570 -0.101 0.000 2.945 371 I HA 0.689 4.859 4.170 -0.000 0.000 0.292 371 I C 1.099 177.104 176.117 -0.186 0.000 1.093 371 I CA 0.098 61.322 61.300 -0.127 0.000 1.336 371 I CB 0.417 38.359 38.000 -0.097 0.000 1.435 371 I HN 0.830 nan 8.210 nan 0.000 0.593 372 G N 2.558 111.238 108.800 -0.200 0.000 2.225 372 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.264 372 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.264 372 G C 0.043 174.839 174.900 -0.173 0.000 1.060 372 G CA 0.334 45.331 45.100 -0.171 0.000 0.833 372 G HN 1.316 nan 8.290 nan 0.000 0.498 373 T N -2.503 111.912 114.554 -0.231 0.000 2.930 373 T HA 0.926 5.276 4.350 -0.000 0.000 0.290 373 T C 0.273 174.822 174.700 -0.251 0.000 1.052 373 T CA -0.012 61.985 62.100 -0.171 0.000 1.017 373 T CB 2.933 71.767 68.868 -0.056 0.000 1.137 373 T HN 1.671 nan 8.240 nan 0.000 0.511 374 G N 0.074 108.762 108.800 -0.186 0.000 2.690 374 G HA2 0.589 4.549 3.960 -0.000 0.000 0.291 374 G HA3 0.589 4.549 3.960 -0.000 0.000 0.291 374 G C -1.316 173.468 174.900 -0.193 0.000 1.403 374 G CA -0.981 43.976 45.100 -0.240 0.000 0.864 374 G HN 0.573 nan 8.290 nan 0.000 0.480 375 F N 0.577 120.494 119.950 -0.056 0.000 2.602 375 F HA 0.439 4.966 4.527 -0.000 0.000 0.367 375 F C 1.365 177.186 175.800 0.035 0.000 1.126 375 F CA 1.273 59.224 58.000 -0.082 0.000 1.321 375 F CB 1.067 40.203 39.000 0.227 0.000 1.094 375 F HN 0.568 nan 8.300 nan 0.000 0.594 376 G N 2.252 111.183 108.800 0.219 0.000 3.008 376 G HA2 0.500 4.460 3.960 -0.000 0.000 0.181 376 G HA3 0.500 4.460 3.960 -0.000 0.000 0.181 376 G C -0.414 174.682 174.900 0.327 0.000 1.309 376 G CA -1.101 44.129 45.100 0.216 0.000 1.009 376 G HN 0.526 nan 8.290 nan 0.000 0.584 377 I N 1.783 122.437 120.570 0.140 0.000 2.906 377 I HA -0.040 4.130 4.170 -0.000 0.000 0.301 377 I C 0.636 176.831 176.117 0.131 0.000 1.221 377 I CA 0.005 61.277 61.300 -0.047 0.000 1.435 377 I CB 0.246 37.956 38.000 -0.484 0.000 1.345 377 I HN 0.163 nan 8.210 nan 0.000 0.558 378 R N 6.868 127.354 120.500 -0.022 0.000 2.594 378 R HA 0.244 4.584 4.340 -0.000 0.000 0.272 378 R C -2.291 173.918 176.300 -0.152 0.000 1.074 378 R CA -2.085 53.914 56.100 -0.167 0.000 1.105 378 R CB -0.459 29.711 30.300 -0.216 0.000 1.008 378 R HN 0.268 nan 8.270 nan 0.000 0.472 379 P HA -0.015 nan 4.420 nan 0.000 0.261 379 P C -0.472 176.806 177.300 -0.038 0.000 1.183 379 P CA 0.722 63.751 63.100 -0.119 0.000 0.761 379 P CB 0.656 32.234 31.700 -0.203 0.000 0.785 380 S N 2.224 117.943 115.700 0.032 0.000 2.580 380 S HA 0.543 5.013 4.470 -0.000 0.000 0.281 380 S C 0.228 174.773 174.600 -0.092 0.000 1.129 380 S CA -0.084 58.131 58.200 0.025 0.000 0.862 380 S CB 0.591 63.851 63.200 0.100 0.000 1.090 380 S HN 0.239 nan 8.310 nan 0.000 0.451 381 A N 2.688 125.452 122.820 -0.092 0.000 2.178 381 A HA 0.272 4.592 4.320 -0.000 0.000 0.211 381 A C 0.657 178.154 177.584 -0.145 0.000 1.157 381 A CA 0.090 52.029 52.037 -0.163 0.000 0.780 381 A CB -0.327 18.651 19.000 -0.035 0.000 0.828 381 A HN 0.735 nan 8.150 nan 0.000 0.476 382 N N 1.663 120.329 118.700 -0.057 0.000 3.103 382 N HA 0.005 4.745 4.740 -0.000 0.000 0.305 382 N C 1.039 176.556 175.510 0.011 0.000 1.232 382 N CA 0.926 53.971 53.050 -0.008 0.000 1.190 382 N CB 0.444 38.953 38.487 0.038 0.000 1.461 382 N HN 0.593 nan 8.380 nan 0.000 0.538 383 T N -3.296 111.163 114.554 -0.159 0.000 3.067 383 T HA 0.080 4.429 4.350 -0.000 0.000 0.261 383 T C 1.473 176.198 174.700 0.042 0.000 1.110 383 T CA 0.623 62.553 62.100 -0.283 0.000 1.113 383 T CB 0.091 68.514 68.868 -0.742 0.000 0.917 383 T HN 0.395 nan 8.240 nan 0.000 0.499 384 G N 1.164 110.001 108.800 0.061 0.000 2.166 384 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.260 384 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.260 384 G C -0.269 174.723 174.900 0.154 0.000 0.986 384 G CA 0.310 45.481 45.100 0.120 0.000 0.683 384 G HN 0.806 nan 8.290 nan 0.000 0.527 385 D N -0.778 119.706 120.400 0.140 0.000 2.736 385 D HA 0.518 5.158 4.640 -0.000 0.000 0.243 385 D C 1.540 177.937 176.300 0.161 0.000 1.304 385 D CA 0.340 54.468 54.000 0.213 0.000 0.934 385 D CB 1.084 42.129 40.800 0.408 0.000 1.382 385 D HN 0.226 nan 8.370 nan 0.000 0.571 386 S N 3.532 119.340 115.700 0.180 0.000 2.380 386 S HA -0.227 4.243 4.470 -0.000 0.000 0.229 386 S C 2.050 176.814 174.600 0.273 0.000 1.043 386 S CA 0.840 59.163 58.200 0.205 0.000 1.038 386 S CB -0.399 62.916 63.200 0.193 0.000 0.872 386 S HN 0.633 nan 8.310 nan 0.000 0.456 387 L N -0.068 121.250 121.223 0.159 0.000 2.217 387 L HA 0.218 4.558 4.340 -0.000 0.000 0.211 387 L C 0.897 177.922 176.870 0.258 0.000 1.107 387 L CA 0.331 55.243 54.840 0.120 0.000 0.783 387 L CB -0.339 41.553 42.059 -0.277 0.000 0.919 387 L HN 0.307 nan 8.230 nan 0.000 0.442 388 L N 0.276 121.560 121.223 0.101 0.000 2.255 388 L HA 0.146 4.486 4.340 -0.000 0.000 0.289 388 L C 0.795 177.578 176.870 -0.145 0.000 1.046 388 L CA 0.192 54.985 54.840 -0.078 0.000 0.816 388 L CB 0.642 42.435 42.059 -0.443 0.000 1.197 388 L HN -0.072 nan 8.230 nan 0.000 0.427 389 D N 1.405 121.767 120.400 -0.064 0.000 2.144 389 D HA -0.032 4.608 4.640 -0.000 0.000 0.200 389 D C 0.347 176.406 176.300 -0.402 0.000 0.978 389 D CA 0.994 54.929 54.000 -0.108 0.000 0.833 389 D CB 0.413 41.279 40.800 0.109 0.000 0.961 389 D HN 0.457 nan 8.370 nan 0.000 0.470 390 S N -1.689 113.607 115.700 -0.674 0.000 2.586 390 S HA 0.339 4.809 4.470 -0.000 0.000 0.277 390 S C -1.723 172.394 174.600 -0.805 0.000 1.131 390 S CA -0.815 56.862 58.200 -0.871 0.000 0.848 390 S CB 0.018 62.441 63.200 -1.296 0.000 1.091 390 S HN -0.139 nan 8.310 nan 0.000 0.453 391 F N 2.544 122.219 119.950 -0.457 0.000 2.399 391 F HA 0.650 5.177 4.527 -0.000 0.000 0.342 391 F C 0.793 176.455 175.800 -0.230 0.000 1.106 391 F CA -0.179 57.623 58.000 -0.331 0.000 1.196 391 F CB 1.497 40.347 39.000 -0.249 0.000 1.163 391 F HN 0.506 nan 8.300 nan 0.000 0.547 392 V N -1.213 118.777 119.914 0.127 0.000 3.206 392 V HA 0.561 4.681 4.120 -0.000 0.000 0.305 392 V C -2.024 174.366 176.094 0.494 0.000 1.257 392 V CA -1.148 61.278 62.300 0.211 0.000 1.057 392 V CB 2.192 34.101 31.823 0.142 0.000 1.075 392 V HN 0.633 nan 8.190 nan 0.000 0.443 393 W N 1.542 122.947 121.300 0.175 0.000 2.394 393 W HA 0.751 5.411 4.660 -0.000 0.000 0.312 393 W C 0.485 177.151 176.519 0.246 0.000 0.981 393 W CA -1.153 56.292 57.345 0.168 0.000 1.519 393 W CB 1.015 30.558 29.460 0.138 0.000 1.304 393 W HN 0.492 nan 8.180 nan 0.000 0.412 394 V N 1.524 121.607 119.914 0.283 0.000 2.300 394 V HA -0.093 4.027 4.120 -0.000 0.000 0.241 394 V C 1.090 177.500 176.094 0.526 0.000 1.034 394 V CA 0.968 63.376 62.300 0.180 0.000 1.021 394 V CB -0.544 31.179 31.823 -0.167 0.000 0.662 394 V HN 0.094 nan 8.190 nan 0.000 0.458 395 K N 2.662 123.288 120.400 0.377 0.000 2.349 395 K HA 0.195 4.515 4.320 -0.000 0.000 0.288 395 K C -2.821 173.879 176.600 0.167 0.000 1.058 395 K CA -2.072 54.367 56.287 0.254 0.000 0.953 395 K CB 0.709 33.221 32.500 0.020 0.000 0.997 395 K HN 0.153 nan 8.250 nan 0.000 0.477 396 P HA 0.132 nan 4.420 nan 0.000 0.275 396 P C -0.426 177.044 177.300 0.283 0.000 1.276 396 P CA -0.277 62.937 63.100 0.190 0.000 0.782 396 P CB 1.088 32.962 31.700 0.291 0.000 0.851 397 G N 2.787 111.776 108.800 0.315 0.000 2.254 397 G HA2 0.311 4.271 3.960 -0.000 0.000 0.253 397 G HA3 0.311 4.271 3.960 -0.000 0.000 0.253 397 G C 1.055 176.261 174.900 0.510 0.000 1.246 397 G CA 0.492 45.803 45.100 0.352 0.000 0.946 397 G HN 0.770 nan 8.290 nan 0.000 0.474 398 G N 1.956 110.853 108.800 0.162 0.000 2.428 398 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.199 398 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.199 398 G C 0.240 174.846 174.900 -0.489 0.000 1.005 398 G CA -0.053 44.843 45.100 -0.338 0.000 0.671 398 G HN 0.704 nan 8.290 nan 0.000 0.485 399 E N 0.902 121.082 120.200 -0.035 0.000 2.223 399 E HA 0.430 4.780 4.350 -0.000 0.000 0.282 399 E C 0.470 177.052 176.600 -0.031 0.000 1.046 399 E CA -0.377 56.062 56.400 0.065 0.000 0.857 399 E CB 1.470 31.276 29.700 0.177 0.000 1.055 399 E HN 0.330 nan 8.360 nan 0.000 0.409 400 C N 3.397 122.703 119.300 0.010 0.000 2.703 400 C HA -0.034 4.426 4.460 -0.000 0.000 0.411 400 C C 1.197 176.166 174.990 -0.035 0.000 1.290 400 C CA -0.164 58.856 59.018 0.004 0.000 2.054 400 C CB -0.172 27.560 27.740 -0.013 0.000 2.732 400 C HN 0.762 nan 8.230 nan 0.000 0.650 401 D N 1.141 121.530 120.400 -0.018 0.000 2.366 401 D HA 0.263 4.903 4.640 -0.000 0.000 0.205 401 D C 0.644 177.037 176.300 0.156 0.000 1.022 401 D CA 1.128 55.173 54.000 0.074 0.000 0.868 401 D CB 0.447 41.363 40.800 0.193 0.000 0.953 401 D HN 0.898 nan 8.370 nan 0.000 0.514 402 G N -0.402 108.439 108.800 0.069 0.000 2.361 402 G HA2 0.184 4.144 3.960 -0.000 0.000 0.299 402 G HA3 0.184 4.144 3.960 -0.000 0.000 0.299 402 G C -1.058 173.843 174.900 0.002 0.000 1.544 402 G CA -0.729 44.414 45.100 0.071 0.000 0.860 402 G HN -0.113 nan 8.290 nan 0.000 0.610 403 T N -0.854 113.723 114.554 0.037 0.000 2.904 403 T HA 0.495 4.845 4.350 -0.000 0.000 0.290 403 T C 1.624 176.413 174.700 0.148 0.000 1.018 403 T CA 0.679 62.799 62.100 0.033 0.000 1.075 403 T CB 0.769 69.673 68.868 0.059 0.000 0.986 403 T HN 1.526 nan 8.240 nan 0.000 0.523 404 S N 1.999 117.750 115.700 0.085 0.000 2.557 404 S HA 0.152 4.622 4.470 -0.000 0.000 0.223 404 S C 0.309 174.943 174.600 0.057 0.000 0.969 404 S CA -0.543 57.762 58.200 0.176 0.000 0.927 404 S CB 0.088 63.317 63.200 0.048 0.000 0.806 404 S HN 0.751 nan 8.310 nan 0.000 0.489 405 D N 3.017 123.413 120.400 -0.007 0.000 2.352 405 D HA 0.152 4.792 4.640 -0.000 0.000 0.245 405 D C 1.252 177.254 176.300 -0.496 0.000 1.224 405 D CA 0.195 54.087 54.000 -0.179 0.000 0.879 405 D CB 1.454 42.197 40.800 -0.094 0.000 1.057 405 D HN 0.330 nan 8.370 nan 0.000 0.491 406 S N 1.949 117.128 115.700 -0.868 0.000 2.465 406 S HA -0.198 4.272 4.470 -0.000 0.000 0.241 406 S C 1.654 175.892 174.600 -0.604 0.000 1.000 406 S CA 1.143 58.517 58.200 -1.377 0.000 0.964 406 S CB -0.227 62.452 63.200 -0.870 0.000 0.763 406 S HN 0.422 nan 8.310 nan 0.000 0.512 407 S N 0.874 116.386 115.700 -0.314 0.000 2.575 407 S HA 0.592 5.062 4.470 -0.000 0.000 0.215 407 S C 0.702 175.268 174.600 -0.057 0.000 0.966 407 S CA -0.108 58.008 58.200 -0.140 0.000 0.911 407 S CB -0.318 62.820 63.200 -0.103 0.000 0.780 407 S HN 0.725 nan 8.310 nan 0.000 0.514 408 A N 3.534 126.332 122.820 -0.037 0.000 2.425 408 A HA 0.505 4.824 4.320 -0.000 0.000 0.249 408 A C -0.321 177.322 177.584 0.099 0.000 1.084 408 A CA -1.338 50.725 52.037 0.044 0.000 0.781 408 A CB 0.128 19.175 19.000 0.078 0.000 1.019 408 A HN 0.330 nan 8.150 nan 0.000 0.490 409 P HA -0.192 nan 4.420 nan 0.000 0.215 409 P C 0.616 177.981 177.300 0.108 0.000 1.157 409 P CA 1.388 64.535 63.100 0.079 0.000 0.874 409 P CB 0.108 31.840 31.700 0.055 0.000 0.790 410 R N -1.321 119.248 120.500 0.114 0.000 2.568 410 R HA 0.200 4.540 4.340 -0.000 0.000 0.288 410 R C 0.403 176.794 176.300 0.150 0.000 1.077 410 R CA -0.720 55.449 56.100 0.115 0.000 1.102 410 R CB -0.735 29.619 30.300 0.089 0.000 1.278 410 R HN 0.168 nan 8.270 nan 0.000 0.560 411 F N 2.102 122.077 119.950 0.040 0.000 2.607 411 F HA -0.013 4.514 4.527 -0.000 0.000 0.374 411 F C 0.230 176.068 175.800 0.062 0.000 1.104 411 F CA -0.077 57.944 58.000 0.035 0.000 1.296 411 F CB 0.424 39.431 39.000 0.012 0.000 1.085 411 F HN -0.019 nan 8.300 nan 0.000 0.584 412 D N 3.778 123.702 120.400 -0.793 0.000 2.502 412 D HA 0.122 4.762 4.640 -0.000 0.000 0.249 412 D C 0.729 176.405 176.300 -1.041 0.000 1.092 412 D CA 0.091 53.722 54.000 -0.616 0.000 0.839 412 D CB 2.080 42.833 40.800 -0.079 0.000 1.264 412 D HN 0.661 nan 8.370 nan 0.000 0.511 413 S N 3.044 118.255 115.700 -0.815 0.000 2.420 413 S HA -0.257 4.213 4.470 -0.000 0.000 0.237 413 S C 1.383 175.722 174.600 -0.436 0.000 1.023 413 S CA 1.179 59.038 58.200 -0.567 0.000 0.991 413 S CB -0.542 62.475 63.200 -0.305 0.000 0.792 413 S HN 0.624 nan 8.310 nan 0.000 0.488 414 H N 0.279 119.096 119.070 -0.422 0.000 2.456 414 H HA 0.078 4.634 4.556 -0.000 0.000 0.296 414 H C 1.795 176.826 175.328 -0.496 0.000 1.079 414 H CA 1.383 57.123 56.048 -0.512 0.000 1.322 414 H CB -0.507 28.725 29.762 -0.883 0.000 1.388 414 H HN 0.514 nan 8.280 nan 0.000 0.538 415 c N -0.132 118.271 118.600 -0.328 0.000 2.626 415 c HA 0.399 4.969 4.570 -0.000 0.000 0.266 415 c C 2.251 176.314 174.090 -0.044 0.000 1.317 415 c CA 0.524 56.735 56.329 -0.197 0.000 1.716 415 c CB -1.022 41.403 42.510 -0.141 0.000 1.819 415 c HN 0.625 nan 8.230 nan 0.000 0.578 416 A N -0.400 122.405 122.820 -0.026 0.000 2.431 416 A HA 0.432 4.752 4.320 -0.000 0.000 0.239 416 A C 0.588 178.168 177.584 -0.008 0.000 1.230 416 A CA -0.090 51.990 52.037 0.070 0.000 0.928 416 A CB -0.020 19.125 19.000 0.242 0.000 1.006 416 A HN 0.506 nan 8.150 nan 0.000 0.520 417 L N 0.705 121.882 121.223 -0.076 0.000 2.473 417 L HA 0.128 4.468 4.340 -0.000 0.000 0.268 417 L C -0.884 175.952 176.870 -0.058 0.000 1.215 417 L CA -1.352 53.437 54.840 -0.086 0.000 0.823 417 L CB 0.513 42.491 42.059 -0.134 0.000 1.099 417 L HN 0.129 nan 8.230 nan 0.000 0.483 418 P HA -0.152 nan 4.420 nan 0.000 0.225 418 P C 0.257 177.528 177.300 -0.047 0.000 1.148 418 P CA 1.044 64.120 63.100 -0.039 0.000 0.779 418 P CB 0.010 31.689 31.700 -0.035 0.000 0.780 419 D N -0.817 119.542 120.400 -0.069 0.000 2.368 419 D HA 0.241 4.881 4.640 -0.000 0.000 0.218 419 D C 0.250 176.496 176.300 -0.090 0.000 1.112 419 D CA -0.585 53.363 54.000 -0.088 0.000 0.834 419 D CB -0.225 40.506 40.800 -0.115 0.000 0.953 419 D HN 0.025 nan 8.370 nan 0.000 0.505 420 A N 0.605 123.389 122.820 -0.060 0.000 2.318 420 A HA 0.542 4.862 4.320 -0.000 0.000 0.324 420 A C -0.626 176.989 177.584 0.053 0.000 1.170 420 A CA -0.839 51.181 52.037 -0.027 0.000 0.810 420 A CB 0.929 19.887 19.000 -0.070 0.000 1.198 420 A HN 0.230 nan 8.150 nan 0.000 0.484 421 L N 2.058 123.370 121.223 0.148 0.000 2.455 421 L HA 0.318 4.658 4.340 -0.000 0.000 0.272 421 L C 0.167 177.231 176.870 0.324 0.000 1.174 421 L CA 1.342 56.320 54.840 0.230 0.000 0.869 421 L CB 0.255 42.484 42.059 0.283 0.000 1.130 421 L HN 0.808 nan 8.230 nan 0.000 0.474 422 Q N 5.004 124.943 119.800 0.232 0.000 2.456 422 Q HA 0.583 4.923 4.340 -0.000 0.000 0.283 422 Q C -2.328 173.759 176.000 0.145 0.000 1.084 422 Q CA -1.736 54.158 55.803 0.151 0.000 0.801 422 Q CB 1.405 30.181 28.738 0.064 0.000 1.434 422 Q HN 0.563 nan 8.270 nan 0.000 0.419 423 P HA 0.387 nan 4.420 nan 0.000 0.275 423 P C -1.566 175.589 177.300 -0.242 0.000 1.227 423 P CA -0.277 62.801 63.100 -0.037 0.000 0.781 423 P CB 1.011 32.690 31.700 -0.036 0.000 0.906 424 A N 4.078 126.675 122.820 -0.372 0.000 2.350 424 A HA 0.748 5.068 4.320 -0.000 0.000 0.324 424 A C -2.589 174.703 177.584 -0.486 0.000 1.118 424 A CA -1.762 49.776 52.037 -0.831 0.000 0.783 424 A CB 1.010 19.651 19.000 -0.598 0.000 1.236 424 A HN 0.354 nan 8.150 nan 0.000 0.457 425 P HA 0.281 nan 4.420 nan 0.000 0.289 425 P C -0.633 176.593 177.300 -0.123 0.000 1.299 425 P CA -0.563 62.404 63.100 -0.221 0.000 0.766 425 P CB 0.285 31.892 31.700 -0.155 0.000 1.226 426 Q N -0.119 119.658 119.800 -0.039 0.000 2.421 426 Q HA 0.404 4.744 4.340 -0.000 0.000 0.255 426 Q C -0.230 175.780 176.000 0.016 0.000 1.013 426 Q CA -0.810 54.997 55.803 0.008 0.000 0.895 426 Q CB -0.045 28.712 28.738 0.031 0.000 1.271 426 Q HN 0.446 nan 8.270 nan 0.000 0.460 427 A N 1.468 124.310 122.820 0.038 0.000 2.587 427 A HA 0.334 4.654 4.320 -0.000 0.000 0.235 427 A C 1.385 178.994 177.584 0.043 0.000 1.044 427 A CA 0.701 52.761 52.037 0.040 0.000 0.754 427 A CB -1.044 17.994 19.000 0.063 0.000 0.968 427 A HN 1.509 nan 8.150 nan 0.000 0.509 428 G N 0.982 109.796 108.800 0.024 0.000 2.320 428 G HA2 0.087 4.047 3.960 -0.000 0.000 0.242 428 G HA3 0.087 4.047 3.960 -0.000 0.000 0.242 428 G C 0.784 175.771 174.900 0.144 0.000 1.033 428 G CA 0.749 45.886 45.100 0.062 0.000 0.620 428 G HN 2.315 nan 8.290 nan 0.000 0.517 429 A N 0.566 123.460 122.820 0.123 0.000 2.366 429 A HA 0.462 4.782 4.320 -0.000 0.000 0.249 429 A C 0.472 178.192 177.584 0.227 0.000 1.084 429 A CA 0.247 52.384 52.037 0.168 0.000 0.794 429 A CB 0.186 19.249 19.000 0.105 0.000 1.034 429 A HN 0.941 nan 8.150 nan 0.000 0.491 430 W N 2.414 123.762 121.300 0.080 0.000 2.251 430 W HA 0.314 4.974 4.660 -0.000 0.000 0.327 430 W C -1.367 175.277 176.519 0.208 0.000 1.361 430 W CA 0.138 57.549 57.345 0.111 0.000 1.234 430 W CB 0.695 30.169 29.460 0.024 0.000 1.212 430 W HN 0.470 nan 8.180 nan 0.000 0.557 431 F N 7.019 126.626 119.950 -0.571 0.000 2.564 431 F HA 0.113 4.640 4.527 0.000 0.000 0.368 431 F C 1.043 176.608 175.800 -0.393 0.000 1.127 431 F CA -1.306 56.506 58.000 -0.314 0.000 1.170 431 F CB 0.314 39.191 39.000 -0.205 0.000 1.397 431 F HN 0.478 nan 8.300 nan 0.000 0.493 432 Q N 4.300 124.134 119.800 0.057 0.000 2.062 432 Q HA -0.195 4.145 4.340 -0.000 0.000 0.209 432 Q C 1.971 178.006 176.000 0.059 0.000 0.996 432 Q CA 2.846 58.736 55.803 0.144 0.000 0.859 432 Q CB -0.149 28.773 28.738 0.307 0.000 0.920 432 Q HN 0.687 nan 8.270 nan 0.000 0.415 433 A N -1.079 121.748 122.820 0.012 0.000 1.940 433 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 433 A C 2.027 179.362 177.584 -0.414 0.000 1.176 433 A CA 1.562 53.519 52.037 -0.133 0.000 0.631 433 A CB -1.015 17.974 19.000 -0.018 0.000 0.814 433 A HN 0.627 nan 8.150 nan 0.000 0.446 434 Y N -1.353 118.364 120.300 -0.972 0.000 2.200 434 Y HA -0.132 4.418 4.550 0.000 0.000 0.290 434 Y C 2.000 177.606 175.900 -0.490 0.000 1.137 434 Y CA 1.804 59.378 58.100 -0.877 0.000 1.163 434 Y CB -0.399 37.352 38.460 -1.182 0.000 0.988 434 Y HN 0.385 nan 8.280 nan 0.000 0.518 435 F N -0.417 119.300 119.950 -0.387 0.000 2.126 435 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 435 F C 2.066 177.777 175.800 -0.149 0.000 1.096 435 F CA 1.741 59.610 58.000 -0.218 0.000 1.255 435 F CB -0.794 38.160 39.000 -0.077 0.000 0.997 435 F HN -0.151 nan 8.300 nan 0.000 0.479 436 V N 0.776 120.614 119.914 -0.126 0.000 2.407 436 V HA -0.330 3.789 4.120 -0.000 0.000 0.248 436 V C 2.439 178.348 176.094 -0.309 0.000 1.055 436 V CA 2.201 64.401 62.300 -0.168 0.000 1.049 436 V CB -0.919 30.894 31.823 -0.017 0.000 0.662 436 V HN 0.526 nan 8.190 nan 0.000 0.455 437 Q N -0.145 119.403 119.800 -0.420 0.000 2.020 437 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 437 Q C 2.305 177.986 176.000 -0.532 0.000 0.982 437 Q CA 1.951 57.468 55.803 -0.478 0.000 0.838 437 Q CB -0.192 28.145 28.738 -0.669 0.000 0.899 437 Q HN 0.597 nan 8.270 nan 0.000 0.423 438 L N 0.388 121.156 121.223 -0.759 0.000 2.012 438 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 438 L C 2.589 179.078 176.870 -0.634 0.000 1.073 438 L CA 0.818 55.093 54.840 -0.943 0.000 0.748 438 L CB -0.537 40.531 42.059 -1.650 0.000 0.891 438 L HN 0.355 nan 8.230 nan 0.000 0.431 439 L N -0.632 120.320 121.223 -0.452 0.000 2.046 439 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 439 L C 2.439 179.323 176.870 0.024 0.000 1.077 439 L CA 2.064 56.901 54.840 -0.005 0.000 0.747 439 L CB -0.752 41.173 42.059 -0.223 0.000 0.896 439 L HN 0.136 nan 8.230 nan 0.000 0.432 440 T N 0.161 114.656 114.554 -0.099 0.000 2.746 440 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 440 T C 1.339 176.013 174.700 -0.044 0.000 1.039 440 T CA 1.566 63.630 62.100 -0.059 0.000 1.142 440 T CB -0.262 68.546 68.868 -0.100 0.000 0.866 440 T HN 0.369 nan 8.240 nan 0.000 0.444 441 N N 1.319 119.964 118.700 -0.093 0.000 2.276 441 N HA 0.322 5.062 4.740 -0.000 0.000 0.212 441 N C 0.069 175.569 175.510 -0.015 0.000 1.127 441 N CA -0.118 52.889 53.050 -0.072 0.000 0.834 441 N CB 0.225 38.634 38.487 -0.130 0.000 1.014 441 N HN 0.331 nan 8.380 nan 0.000 0.491 442 A N 1.342 124.207 122.820 0.075 0.000 2.511 442 A HA 0.211 4.531 4.320 -0.000 0.000 0.242 442 A C 0.375 178.019 177.584 0.099 0.000 1.069 442 A CA 0.159 52.313 52.037 0.195 0.000 0.763 442 A CB 0.139 19.430 19.000 0.484 0.000 1.001 442 A HN 0.228 nan 8.150 nan 0.000 0.498 443 N N 2.321 121.073 118.700 0.086 0.000 2.572 443 N HA 0.382 5.122 4.740 -0.000 0.000 0.287 443 N C -3.314 172.208 175.510 0.020 0.000 1.136 443 N CA -1.448 51.616 53.050 0.023 0.000 0.900 443 N CB 1.745 40.243 38.487 0.018 0.000 1.484 443 N HN 0.207 nan 8.380 nan 0.000 0.526 444 P HA 0.006 nan 4.420 nan 0.000 0.266 444 P C -0.252 176.935 177.300 -0.188 0.000 1.193 444 P CA 0.129 63.155 63.100 -0.123 0.000 0.770 444 P CB 0.602 32.195 31.700 -0.179 0.000 0.836 445 S N 1.397 117.012 115.700 -0.141 0.000 2.592 445 S HA 0.254 4.724 4.470 -0.000 0.000 0.271 445 S C 0.450 174.925 174.600 -0.209 0.000 1.326 445 S CA -0.226 57.920 58.200 -0.090 0.000 1.024 445 S CB -0.192 63.001 63.200 -0.012 0.000 0.921 445 S HN 0.244 nan 8.310 nan 0.000 0.527 446 F N 1.930 121.919 119.950 0.066 0.000 2.559 446 F HA 0.386 4.913 4.527 -0.000 0.000 0.286 446 F C 0.973 176.798 175.800 0.041 0.000 1.108 446 F CA -0.064 57.968 58.000 0.052 0.000 1.436 446 F CB -0.055 38.984 39.000 0.065 0.000 1.130 446 F HN 0.348 nan 8.300 nan 0.000 0.584 447 L N 0.000 121.345 121.223 0.204 0.000 2.949 447 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 447 L CA 0.000 54.913 54.840 0.122 0.000 0.813 447 L CB 0.000 42.116 42.059 0.095 0.000 0.961 447 L HN 0.000 nan 8.230 nan 0.000 0.502