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 3ala_1_E DATA FIRST_RESID 39 DATA SEQUENCE PHcXXXXXXX XXXXXXXXXQ LFADLSREEL TAVMRFLTQR LGPGLVDAAQ DATA SEQUENCE ARPSDNCVFS VELQLPPKAA ALAHLDRGSP PPAREALAIV FFGRQPQPNV DATA SEQUENCE SELVVGPLPH PSYMRDVTVE RHGGPLPYHR RPVLFQEYLD IDQMIFNREL DATA SEQUENCE PQASGLLHHC CFYKXXXRNL VTMTTAPRGL QSGDRATWFG LYYNISGAGF DATA SEQUENCE FLHHVGLELL VNHKALDPAR WTIQKVFYQG RYYDSLAQLE AQFEAGLVNV DATA SEQUENCE VLIPDNGTGG SWSLKSPVPP GPAPPLQFYP QGPRFSVQGS RVASSLWTFS DATA SEQUENCE FGLGAFSGPR IFDVRFQGER LVYEISLQEA LAIYGGNSPA AMTTRYVDGG DATA SEQUENCE FGMGKYTTPL TRGVDcPYLA TYVDWHFLLE SQAPKTIRDA FcVFEQNQGL DATA SEQUENCE PLRRHHSDLY SHYFGGLAET VLVVRSMSTL LNXDYVWDTV FHPSGAIEIR DATA SEQUENCE FYATGYISSA FLFGXXGKYG NQVSEHTLGT VHTHSAHFKV DLDVAGLENW DATA SEQUENCE VWAEDMVFVP MAVPWSPEHQ LQRLQVTRKL LEMEEQAAFL VGSATPRYLY DATA SEQUENCE LASNHSNKWG HPRGYRIQML SFAGEPLPQN SSMARGFSWE RYQLAVTQRK DATA SEQUENCE EEEPSSSSVF NQNDPWAPTV DFSDFINNET IAGKDLVAWV TAGFLHIPHA DATA SEQUENCE EDIPNTVTVG NGVGFFLRPY NFFDEDPSFY SADSIYFRGD QDAGAcEVNP DATA SEQUENCE LAcLPQAAAc APDLPAFSHG GFS 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 39 P HA 0.000 nan 4.420 nan 0.000 0.216 39 P C 0.000 177.205 177.300 -0.158 0.000 1.155 39 P CA 0.000 63.014 63.100 -0.143 0.000 0.800 39 P CB 0.000 31.673 31.700 -0.045 0.000 0.726 40 H N -0.490 118.577 119.070 -0.004 0.000 2.598 40 H HA 0.606 5.162 4.556 0.000 0.000 0.371 40 H C 0.547 175.884 175.328 0.015 0.000 1.468 40 H CA 0.270 56.314 56.048 -0.008 0.000 1.454 40 H CB 0.578 30.337 29.762 -0.005 0.000 1.579 40 H HN 0.625 nan 8.280 nan 0.000 0.611 59 L N -0.972 120.127 121.223 -0.207 0.000 2.638 59 L HA 0.355 4.695 4.340 0.000 0.000 0.232 59 L C 0.133 176.615 176.870 -0.647 0.000 1.099 59 L CA 0.454 55.038 54.840 -0.427 0.000 0.883 59 L CB 0.434 42.186 42.059 -0.511 0.000 1.136 59 L HN 0.348 nan 8.230 nan 0.000 0.492 60 F N 0.525 120.349 119.950 -0.211 0.000 2.706 60 F HA 0.440 4.967 4.527 0.000 0.000 0.313 60 F C 1.342 177.008 175.800 -0.223 0.000 1.096 60 F CA -0.378 57.416 58.000 -0.344 0.000 1.219 60 F CB 0.212 38.897 39.000 -0.525 0.000 1.051 60 F HN 0.020 nan 8.300 nan 0.000 0.568 61 A N 0.628 123.422 122.820 -0.043 0.000 2.498 61 A HA 0.110 4.430 4.320 0.000 0.000 0.239 61 A C 0.149 177.728 177.584 -0.008 0.000 1.068 61 A CA -0.315 51.684 52.037 -0.065 0.000 0.766 61 A CB 0.015 18.960 19.000 -0.092 0.000 1.003 61 A HN 0.137 nan 8.150 nan 0.000 0.497 62 D N 0.944 121.374 120.400 0.050 0.000 2.382 62 D HA 0.187 4.827 4.640 0.000 0.000 0.240 62 D C 0.337 176.671 176.300 0.056 0.000 1.146 62 D CA 0.313 54.388 54.000 0.126 0.000 0.897 62 D CB 0.498 41.476 40.800 0.296 0.000 1.197 62 D HN 0.439 nan 8.370 nan 0.000 0.432 63 L N 1.496 122.741 121.223 0.036 0.000 2.525 63 L HA -0.035 4.305 4.340 0.000 0.000 0.278 63 L C 1.299 178.173 176.870 0.006 0.000 1.218 63 L CA 0.033 54.870 54.840 -0.004 0.000 0.878 63 L CB 0.174 42.220 42.059 -0.023 0.000 1.127 63 L HN 0.402 nan 8.230 nan 0.000 0.492 64 S N 2.968 118.671 115.700 0.004 0.000 2.614 64 S HA 0.257 4.727 4.470 0.000 0.000 0.265 64 S C 1.148 175.721 174.600 -0.044 0.000 1.303 64 S CA -0.727 57.497 58.200 0.039 0.000 1.000 64 S CB 1.177 64.382 63.200 0.010 0.000 0.935 64 S HN 0.613 nan 8.310 nan 0.000 0.551 65 R N 0.858 121.284 120.500 -0.123 0.000 2.159 65 R HA -0.231 4.109 4.340 0.000 0.000 0.249 65 R C 2.125 178.347 176.300 -0.130 0.000 1.136 65 R CA 2.511 58.487 56.100 -0.207 0.000 0.951 65 R CB -0.687 29.433 30.300 -0.299 0.000 0.876 65 R HN 0.774 nan 8.270 nan 0.000 0.440 66 E N 0.307 120.448 120.200 -0.099 0.000 2.017 66 E HA -0.174 4.176 4.350 0.000 0.000 0.193 66 E C 1.901 178.461 176.600 -0.067 0.000 0.997 66 E CA 1.408 57.766 56.400 -0.071 0.000 0.804 66 E CB -0.220 29.446 29.700 -0.057 0.000 0.757 66 E HN 0.379 nan 8.360 nan 0.000 0.448 67 E N 0.404 120.559 120.200 -0.076 0.000 2.114 67 E HA -0.222 4.128 4.350 0.000 0.000 0.199 67 E C 2.123 178.680 176.600 -0.072 0.000 1.008 67 E CA 1.108 57.458 56.400 -0.083 0.000 0.810 67 E CB -0.238 29.412 29.700 -0.084 0.000 0.739 67 E HN 0.192 nan 8.360 nan 0.000 0.456 68 L N 0.269 121.447 121.223 -0.076 0.000 1.994 68 L HA -0.183 4.157 4.340 0.000 0.000 0.208 68 L C 2.661 179.492 176.870 -0.064 0.000 1.071 68 L CA 1.357 56.150 54.840 -0.078 0.000 0.745 68 L CB -0.662 41.327 42.059 -0.115 0.000 0.892 68 L HN 0.144 nan 8.230 nan 0.000 0.431 69 T N -0.003 114.509 114.554 -0.069 0.000 2.684 69 T HA -0.237 4.113 4.350 0.000 0.000 0.267 69 T C 2.001 176.697 174.700 -0.008 0.000 1.036 69 T CA 1.458 63.531 62.100 -0.045 0.000 1.148 69 T CB -0.316 68.521 68.868 -0.052 0.000 0.863 69 T HN 0.462 nan 8.240 nan 0.000 0.436 70 A N 0.712 123.530 122.820 -0.004 0.000 1.917 70 A HA -0.103 4.217 4.320 0.000 0.000 0.219 70 A C 2.558 180.171 177.584 0.048 0.000 1.182 70 A CA 1.710 53.765 52.037 0.031 0.000 0.633 70 A CB -0.942 18.065 19.000 0.011 0.000 0.819 70 A HN 0.397 nan 8.150 nan 0.000 0.448 71 V N -1.147 118.773 119.914 0.009 0.000 2.488 71 V HA -0.182 3.938 4.120 0.000 0.000 0.246 71 V C 2.476 178.626 176.094 0.093 0.000 1.046 71 V CA 1.988 64.302 62.300 0.023 0.000 1.053 71 V CB -0.499 31.308 31.823 -0.028 0.000 0.679 71 V HN 0.623 nan 8.190 nan 0.000 0.458 72 M N 1.161 120.791 119.600 0.050 0.000 2.086 72 M HA -0.116 4.364 4.480 0.000 0.000 0.261 72 M C 2.387 178.730 176.300 0.071 0.000 1.067 72 M CA 2.563 57.892 55.300 0.049 0.000 1.116 72 M CB -0.753 31.849 32.600 0.005 0.000 1.348 72 M HN 0.287 nan 8.290 nan 0.000 0.407 73 R N -0.164 120.378 120.500 0.070 0.000 2.103 73 R HA -0.236 4.105 4.340 0.000 0.000 0.234 73 R C 2.246 178.609 176.300 0.106 0.000 1.132 73 R CA 2.511 58.653 56.100 0.070 0.000 0.925 73 R CB -2.556 27.785 30.300 0.069 0.000 0.842 73 R HN 0.661 nan 8.270 nan 0.000 0.430 74 F N 0.959 120.908 119.950 -0.001 0.000 2.154 74 F HA -0.124 4.403 4.527 0.000 0.000 0.301 74 F C 2.150 177.961 175.800 0.017 0.000 1.087 74 F CA 1.889 59.891 58.000 0.003 0.000 1.274 74 F CB -0.102 38.891 39.000 -0.012 0.000 1.009 74 F HN 0.176 nan 8.300 nan 0.000 0.485 75 L N -0.678 120.697 121.223 0.252 0.000 2.005 75 L HA -0.216 4.124 4.340 0.000 0.000 0.207 75 L C 2.425 179.325 176.870 0.051 0.000 1.072 75 L CA 1.860 56.801 54.840 0.167 0.000 0.744 75 L CB -1.155 41.002 42.059 0.162 0.000 0.895 75 L HN 0.040 nan 8.230 nan 0.000 0.433 76 T N -0.790 113.787 114.554 0.040 0.000 2.699 76 T HA -0.227 4.123 4.350 0.000 0.000 0.268 76 T C 1.858 176.546 174.700 -0.021 0.000 1.036 76 T CA 1.300 63.411 62.100 0.018 0.000 1.147 76 T CB -0.228 68.649 68.868 0.016 0.000 0.862 76 T HN 0.328 nan 8.240 nan 0.000 0.446 77 Q N 1.138 120.894 119.800 -0.072 0.000 1.985 77 Q HA -0.104 4.236 4.340 0.000 0.000 0.207 77 Q C 2.414 178.326 176.000 -0.148 0.000 0.996 77 Q CA 1.418 57.142 55.803 -0.131 0.000 0.851 77 Q CB -0.943 27.668 28.738 -0.211 0.000 0.921 77 Q HN 0.385 nan 8.270 nan 0.000 0.418 78 R N 0.390 120.756 120.500 -0.223 0.000 2.313 78 R HA 0.198 4.538 4.340 0.000 0.000 0.199 78 R C 2.349 178.641 176.300 -0.012 0.000 0.958 78 R CA 0.747 56.760 56.100 -0.146 0.000 1.047 78 R CB -1.631 28.539 30.300 -0.217 0.000 0.955 78 R HN 0.496 nan 8.270 nan 0.000 0.481 79 L N -1.013 120.226 121.223 0.027 0.000 2.141 79 L HA 0.391 4.731 4.340 0.000 0.000 0.209 79 L C 1.633 178.573 176.870 0.116 0.000 1.094 79 L CA 1.493 56.402 54.840 0.114 0.000 0.763 79 L CB -1.683 40.446 42.059 0.117 0.000 0.908 79 L HN 0.704 nan 8.230 nan 0.000 0.437 80 G N -0.785 108.052 108.800 0.061 0.000 3.409 80 G HA2 0.059 4.019 3.960 0.000 0.000 0.686 80 G HA3 0.059 4.019 3.960 0.000 0.000 0.686 80 G C -2.205 172.732 174.900 0.062 0.000 1.017 80 G CA -0.305 44.827 45.100 0.053 0.000 0.854 80 G HN 0.600 nan 8.290 nan 0.000 0.508 81 P HA 0.482 nan 4.420 nan 0.000 0.271 81 P C 1.040 178.371 177.300 0.053 0.000 1.244 81 P CA 1.499 64.624 63.100 0.042 0.000 0.793 81 P CB 0.617 32.332 31.700 0.025 0.000 0.984 82 G N 0.089 108.921 108.800 0.054 0.000 2.270 82 G HA2 -0.100 3.861 3.960 0.000 0.000 0.224 82 G HA3 -0.100 3.861 3.960 0.000 0.000 0.224 82 G C -0.645 174.306 174.900 0.086 0.000 1.079 82 G CA -0.498 44.640 45.100 0.064 0.000 0.807 82 G HN 0.582 nan 8.290 nan 0.000 0.492 83 L N 1.602 122.873 121.223 0.079 0.000 2.462 83 L HA 0.558 4.898 4.340 0.000 0.000 0.255 83 L C 0.331 177.245 176.870 0.073 0.000 1.076 83 L CA -0.526 54.367 54.840 0.089 0.000 0.920 83 L CB 1.012 43.122 42.059 0.084 0.000 1.214 83 L HN 0.055 nan 8.230 nan 0.000 0.472 84 V N 2.556 122.519 119.914 0.082 0.000 2.811 84 V HA 0.097 4.217 4.120 0.000 0.000 0.302 84 V C 0.840 176.976 176.094 0.070 0.000 1.063 84 V CA -0.592 61.753 62.300 0.076 0.000 1.088 84 V CB 0.963 32.841 31.823 0.092 0.000 0.982 84 V HN 0.705 nan 8.190 nan 0.000 0.485 85 D N 3.041 123.478 120.400 0.062 0.000 2.487 85 D HA 0.061 4.701 4.640 0.000 0.000 0.243 85 D C 1.089 177.439 176.300 0.083 0.000 1.154 85 D CA 0.433 54.467 54.000 0.057 0.000 0.876 85 D CB 1.671 42.500 40.800 0.048 0.000 1.161 85 D HN 0.668 nan 8.370 nan 0.000 0.478 86 A N 4.238 127.107 122.820 0.081 0.000 2.070 86 A HA -0.055 4.265 4.320 0.000 0.000 0.220 86 A C 2.189 179.880 177.584 0.177 0.000 1.159 86 A CA 1.677 53.786 52.037 0.119 0.000 0.656 86 A CB -0.473 18.577 19.000 0.084 0.000 0.800 86 A HN 0.735 nan 8.150 nan 0.000 0.453 87 A N -0.712 122.207 122.820 0.164 0.000 2.019 87 A HA -0.084 4.236 4.320 0.000 0.000 0.219 87 A C 2.195 179.931 177.584 0.252 0.000 1.164 87 A CA 2.133 54.312 52.037 0.237 0.000 0.644 87 A CB -0.461 18.648 19.000 0.181 0.000 0.805 87 A HN 0.864 nan 8.150 nan 0.000 0.449 88 Q N -1.943 117.962 119.800 0.175 0.000 2.350 88 Q HA 0.647 4.988 4.340 0.000 0.000 0.225 88 Q C 1.032 177.113 176.000 0.135 0.000 0.878 88 Q CA 0.313 56.200 55.803 0.141 0.000 0.935 88 Q CB -1.508 27.294 28.738 0.106 0.000 1.099 88 Q HN 1.091 nan 8.270 nan 0.000 0.527 89 A N 2.412 125.327 122.820 0.158 0.000 2.547 89 A HA 0.391 4.711 4.320 0.000 0.000 0.233 89 A C 0.357 178.048 177.584 0.179 0.000 1.067 89 A CA 0.014 52.152 52.037 0.168 0.000 0.763 89 A CB 0.234 19.355 19.000 0.202 0.000 1.007 89 A HN 0.470 nan 8.150 nan 0.000 0.506 90 R N 1.179 121.782 120.500 0.171 0.000 2.902 90 R HA 0.399 4.739 4.340 0.000 0.000 0.258 90 R C -2.315 174.121 176.300 0.228 0.000 1.071 90 R CA -2.123 54.077 56.100 0.166 0.000 1.024 90 R CB -0.391 29.962 30.300 0.088 0.000 1.184 90 R HN 0.350 nan 8.270 nan 0.000 0.492 91 P HA -0.171 nan 4.420 nan 0.000 0.216 91 P C 0.924 178.408 177.300 0.306 0.000 1.153 91 P CA 1.711 65.017 63.100 0.342 0.000 0.858 91 P CB 0.094 32.006 31.700 0.352 0.000 0.789 92 S N -2.358 113.446 115.700 0.174 0.000 2.607 92 S HA 0.007 4.477 4.470 0.000 0.000 0.224 92 S C 0.717 175.384 174.600 0.112 0.000 0.969 92 S CA 0.075 58.331 58.200 0.094 0.000 0.927 92 S CB -0.814 62.417 63.200 0.052 0.000 0.772 92 S HN 0.080 nan 8.310 nan 0.000 0.533 93 D N 2.714 123.214 120.400 0.167 0.000 2.358 93 D HA 0.248 4.888 4.640 0.000 0.000 0.244 93 D C -0.454 175.979 176.300 0.221 0.000 1.163 93 D CA 0.014 54.117 54.000 0.172 0.000 0.945 93 D CB 0.310 41.211 40.800 0.170 0.000 1.152 93 D HN 0.099 nan 8.370 nan 0.000 0.451 94 N N 0.024 118.845 118.700 0.201 0.000 2.437 94 N HA 0.243 4.983 4.740 0.000 0.000 0.259 94 N C -0.952 174.650 175.510 0.153 0.000 0.983 94 N CA -0.212 52.971 53.050 0.222 0.000 0.937 94 N CB 0.774 39.423 38.487 0.269 0.000 1.122 94 N HN 0.206 nan 8.380 nan 0.000 0.499 95 C N 1.390 120.763 119.300 0.122 0.000 2.529 95 C HA 0.532 4.992 4.460 0.000 0.000 0.329 95 C C 0.133 175.077 174.990 -0.076 0.000 1.194 95 C CA -0.718 58.321 59.018 0.034 0.000 1.779 95 C CB 1.760 29.505 27.740 0.007 0.000 2.322 95 C HN 0.358 nan 8.230 nan 0.000 0.500 96 V N 3.275 123.157 119.914 -0.053 0.000 2.364 96 V HA 0.195 4.315 4.120 0.000 0.000 0.272 96 V C 0.278 176.328 176.094 -0.074 0.000 1.036 96 V CA 0.099 62.365 62.300 -0.057 0.000 0.880 96 V CB 0.953 32.771 31.823 -0.007 0.000 0.991 96 V HN 0.899 nan 8.190 nan 0.000 0.460 97 F N 4.210 123.969 119.950 -0.319 0.000 2.262 97 F HA 0.215 4.742 4.527 0.000 0.000 0.292 97 F C 1.145 176.924 175.800 -0.035 0.000 1.081 97 F CA 0.722 58.508 58.000 -0.357 0.000 1.355 97 F CB 0.500 39.055 39.000 -0.741 0.000 1.069 97 F HN 0.542 nan 8.300 nan 0.000 0.506 98 S N 0.033 115.718 115.700 -0.025 0.000 2.533 98 S HA 0.695 5.166 4.470 0.000 0.000 0.271 98 S C -1.556 173.086 174.600 0.071 0.000 1.143 98 S CA -0.680 57.508 58.200 -0.021 0.000 0.891 98 S CB 1.597 64.915 63.200 0.197 0.000 1.105 98 S HN -0.030 nan 8.310 nan 0.000 0.468 99 V N 2.627 122.556 119.914 0.025 0.000 2.525 99 V HA 0.793 4.913 4.120 0.000 0.000 0.299 99 V C -0.435 175.676 176.094 0.029 0.000 1.034 99 V CA -0.390 61.934 62.300 0.040 0.000 0.863 99 V CB 0.967 32.793 31.823 0.005 0.000 0.999 99 V HN 1.131 nan 8.190 nan 0.000 0.423 100 E N 4.200 124.440 120.200 0.068 0.000 2.445 100 E HA 0.626 4.976 4.350 0.000 0.000 0.279 100 E C -1.248 175.403 176.600 0.084 0.000 1.018 100 E CA -1.233 55.210 56.400 0.071 0.000 0.816 100 E CB 2.042 31.799 29.700 0.095 0.000 1.356 100 E HN 0.416 nan 8.360 nan 0.000 0.462 101 L N 1.641 122.916 121.223 0.086 0.000 2.525 101 L HA 0.095 4.435 4.340 0.000 0.000 0.278 101 L C -0.287 176.639 176.870 0.092 0.000 1.218 101 L CA 0.717 55.598 54.840 0.068 0.000 0.878 101 L CB 0.521 42.621 42.059 0.068 0.000 1.127 101 L HN 0.666 nan 8.230 nan 0.000 0.492 102 Q N 4.416 124.258 119.800 0.070 0.000 2.331 102 Q HA 0.440 4.780 4.340 0.000 0.000 0.257 102 Q C -1.200 174.841 176.000 0.069 0.000 0.957 102 Q CA -0.087 55.770 55.803 0.091 0.000 0.923 102 Q CB 0.745 29.535 28.738 0.087 0.000 1.212 102 Q HN 0.742 nan 8.270 nan 0.000 0.443 103 L N 6.821 128.105 121.223 0.103 0.000 2.456 103 L HA 0.357 4.697 4.340 0.000 0.000 0.272 103 L C -1.689 175.231 176.870 0.083 0.000 1.189 103 L CA -1.619 53.276 54.840 0.092 0.000 0.846 103 L CB 0.348 42.514 42.059 0.178 0.000 1.111 103 L HN 0.676 nan 8.230 nan 0.000 0.475 104 P HA 0.241 nan 4.420 nan 0.000 0.274 104 P C -2.591 174.777 177.300 0.112 0.000 1.237 104 P CA -1.487 61.630 63.100 0.029 0.000 0.793 104 P CB -0.198 31.457 31.700 -0.076 0.000 0.977 105 P HA 0.099 nan 4.420 nan 0.000 0.269 105 P C 1.047 178.404 177.300 0.095 0.000 1.215 105 P CA -0.083 63.065 63.100 0.080 0.000 0.780 105 P CB 0.664 32.387 31.700 0.039 0.000 0.898 106 K N 1.753 122.176 120.400 0.038 0.000 2.001 106 K HA -0.127 4.193 4.320 0.000 0.000 0.208 106 K C 1.887 178.472 176.600 -0.025 0.000 1.048 106 K CA 1.522 57.764 56.287 -0.074 0.000 0.932 106 K CB -0.608 31.678 32.500 -0.357 0.000 0.715 106 K HN 0.492 nan 8.250 nan 0.000 0.437 107 A N 1.327 124.132 122.820 -0.025 0.000 1.892 107 A HA -0.222 4.098 4.320 0.000 0.000 0.218 107 A C 2.323 179.927 177.584 0.033 0.000 1.188 107 A CA 2.358 54.394 52.037 -0.001 0.000 0.631 107 A CB -0.831 18.166 19.000 -0.005 0.000 0.822 107 A HN 0.477 nan 8.150 nan 0.000 0.447 108 A N -0.368 122.474 122.820 0.036 0.000 1.855 108 A HA 0.175 4.495 4.320 0.000 0.000 0.215 108 A C 2.566 180.198 177.584 0.080 0.000 1.191 108 A CA 2.263 54.326 52.037 0.043 0.000 0.613 108 A CB -1.209 17.802 19.000 0.017 0.000 0.829 108 A HN 1.208 nan 8.150 nan 0.000 0.442 109 A N -0.315 122.566 122.820 0.103 0.000 1.917 109 A HA -0.125 4.195 4.320 0.000 0.000 0.219 109 A C 2.210 179.934 177.584 0.232 0.000 1.182 109 A CA 1.724 53.858 52.037 0.161 0.000 0.633 109 A CB -0.625 18.550 19.000 0.292 0.000 0.819 109 A HN 0.491 nan 8.150 nan 0.000 0.448 110 L N -1.225 120.120 121.223 0.203 0.000 2.044 110 L HA -0.121 4.220 4.340 0.000 0.000 0.205 110 L C 3.145 180.088 176.870 0.120 0.000 1.075 110 L CA 0.870 55.814 54.840 0.174 0.000 0.747 110 L CB -0.707 41.422 42.059 0.117 0.000 0.903 110 L HN 0.438 nan 8.230 nan 0.000 0.435 111 A N -0.064 122.814 122.820 0.098 0.000 1.940 111 A HA -0.361 3.959 4.320 0.000 0.000 0.221 111 A C 2.122 179.768 177.584 0.105 0.000 1.190 111 A CA 2.535 54.622 52.037 0.083 0.000 0.647 111 A CB -0.966 18.076 19.000 0.070 0.000 0.821 111 A HN 0.574 nan 8.150 nan 0.000 0.457 112 H N -0.519 118.570 119.070 0.031 0.000 2.326 112 H HA 0.079 4.635 4.556 0.000 0.000 0.301 112 H C 1.735 177.084 175.328 0.035 0.000 1.081 112 H CA 1.881 57.940 56.048 0.018 0.000 1.334 112 H CB -0.310 29.446 29.762 -0.009 0.000 1.385 112 H HN 0.352 nan 8.280 nan 0.000 0.504 113 L N -0.249 120.946 121.223 -0.047 0.000 2.141 113 L HA -0.094 4.246 4.340 0.000 0.000 0.209 113 L C 1.413 178.253 176.870 -0.050 0.000 1.094 113 L CA 1.331 56.121 54.840 -0.083 0.000 0.763 113 L CB -0.057 42.070 42.059 0.114 0.000 0.908 113 L HN 0.393 nan 8.230 nan 0.000 0.437 114 D N -1.154 119.247 120.400 0.002 0.000 3.105 114 D HA 0.031 4.671 4.640 0.000 0.000 0.291 114 D C 2.391 178.694 176.300 0.004 0.000 1.218 114 D CA 0.924 54.934 54.000 0.017 0.000 1.029 114 D CB -0.268 40.565 40.800 0.055 0.000 1.207 114 D HN 0.017 nan 8.370 nan 0.000 0.437 115 R N 1.088 121.600 120.500 0.019 0.000 2.241 115 R HA 0.100 4.440 4.340 0.000 0.000 0.224 115 R C 1.793 178.098 176.300 0.008 0.000 1.101 115 R CA 1.827 57.938 56.100 0.018 0.000 0.995 115 R CB -1.531 28.788 30.300 0.031 0.000 0.870 115 R HN 0.443 nan 8.270 nan 0.000 0.463 116 G N -1.170 107.621 108.800 -0.015 0.000 2.159 116 G HA2 -0.256 3.704 3.960 0.000 0.000 0.256 116 G HA3 -0.256 3.704 3.960 0.000 0.000 0.256 116 G C 0.617 175.543 174.900 0.044 0.000 0.977 116 G CA 0.570 45.656 45.100 -0.024 0.000 0.652 116 G HN 0.855 nan 8.290 nan 0.000 0.531 117 S N 1.944 117.688 115.700 0.074 0.000 2.592 117 S HA 0.445 4.915 4.470 0.000 0.000 0.256 117 S C -1.366 173.345 174.600 0.185 0.000 1.369 117 S CA -0.109 58.151 58.200 0.100 0.000 0.984 117 S CB 0.711 63.958 63.200 0.077 0.000 0.919 117 S HN 0.475 nan 8.310 nan 0.000 0.576 118 P HA 0.281 nan 4.420 nan 0.000 0.272 118 P C -2.755 174.501 177.300 -0.075 0.000 1.230 118 P CA -1.499 61.629 63.100 0.048 0.000 0.788 118 P CB -0.878 30.821 31.700 -0.003 0.000 0.949 119 P HA 0.177 nan 4.420 nan 0.000 0.269 119 P C -2.035 175.124 177.300 -0.234 0.000 1.209 119 P CA -0.924 61.845 63.100 -0.552 0.000 0.776 119 P CB -1.200 30.130 31.700 -0.616 0.000 0.876 120 P HA 0.153 nan 4.420 nan 0.000 0.274 120 P C -0.700 176.537 177.300 -0.105 0.000 1.237 120 P CA -0.427 62.611 63.100 -0.103 0.000 0.793 120 P CB 0.388 32.044 31.700 -0.073 0.000 0.977 121 A N 2.271 125.061 122.820 -0.050 0.000 2.561 121 A HA -0.019 4.301 4.320 0.000 0.000 0.251 121 A C 0.716 178.274 177.584 -0.044 0.000 1.062 121 A CA 0.074 52.099 52.037 -0.019 0.000 0.761 121 A CB -0.691 18.351 19.000 0.069 0.000 0.986 121 A HN 0.562 nan 8.150 nan 0.000 0.510 122 R N 2.626 123.078 120.500 -0.080 0.000 2.316 122 R HA 0.290 4.630 4.340 0.000 0.000 0.314 122 R C -0.171 176.081 176.300 -0.079 0.000 1.069 122 R CA 0.292 56.333 56.100 -0.099 0.000 0.959 122 R CB 0.275 30.498 30.300 -0.128 0.000 0.987 122 R HN 0.875 nan 8.270 nan 0.000 0.446 123 E N 1.932 122.100 120.200 -0.052 0.000 2.370 123 E HA 0.714 5.064 4.350 0.000 0.000 0.259 123 E C -1.292 175.288 176.600 -0.034 0.000 0.947 123 E CA -1.334 55.042 56.400 -0.040 0.000 0.809 123 E CB 1.960 31.684 29.700 0.040 0.000 1.300 123 E HN 0.638 nan 8.360 nan 0.000 0.419 124 A N 0.743 123.547 122.820 -0.026 0.000 2.515 124 A HA 0.679 5.000 4.320 0.000 0.000 0.296 124 A C -1.846 175.769 177.584 0.053 0.000 1.094 124 A CA -0.573 51.467 52.037 0.006 0.000 0.718 124 A CB 1.227 20.211 19.000 -0.026 0.000 1.307 124 A HN 0.378 nan 8.150 nan 0.000 0.408 125 L N 1.131 122.410 121.223 0.094 0.000 2.341 125 L HA 0.851 5.191 4.340 0.000 0.000 0.278 125 L C -0.046 176.918 176.870 0.156 0.000 1.005 125 L CA -0.045 54.879 54.840 0.140 0.000 0.818 125 L CB 1.635 43.801 42.059 0.179 0.000 1.259 125 L HN 1.067 nan 8.230 nan 0.000 0.418 126 A N 6.008 128.928 122.820 0.167 0.000 2.331 126 A HA 0.755 5.075 4.320 0.000 0.000 0.320 126 A C -0.850 176.868 177.584 0.222 0.000 1.138 126 A CA -0.509 51.630 52.037 0.170 0.000 0.790 126 A CB 0.694 19.773 19.000 0.132 0.000 1.206 126 A HN 0.680 nan 8.150 nan 0.000 0.470 127 I N 2.680 123.412 120.570 0.270 0.000 2.321 127 I HA 0.375 4.545 4.170 0.000 0.000 0.291 127 I C -0.691 175.545 176.117 0.198 0.000 0.998 127 I CA -0.594 60.905 61.300 0.332 0.000 1.227 127 I CB 1.597 39.917 38.000 0.533 0.000 1.368 127 I HN 0.282 nan 8.210 nan 0.000 0.466 128 V N 6.733 126.713 119.914 0.111 0.000 2.448 128 V HA 0.383 4.503 4.120 0.000 0.000 0.295 128 V C -0.362 175.719 176.094 -0.021 0.000 1.025 128 V CA -0.638 61.584 62.300 -0.130 0.000 0.859 128 V CB 1.611 33.168 31.823 -0.443 0.000 0.988 128 V HN 0.317 nan 8.190 nan 0.000 0.431 129 F N 4.506 124.363 119.950 -0.155 0.000 2.424 129 F HA 0.504 5.032 4.527 0.000 0.000 0.356 129 F C -0.047 175.728 175.800 -0.042 0.000 1.110 129 F CA -1.500 56.507 58.000 0.012 0.000 1.161 129 F CB 0.482 39.558 39.000 0.127 0.000 1.115 129 F HN 0.310 nan 8.300 nan 0.000 0.507 130 F N 2.122 122.336 119.950 0.440 0.000 2.300 130 F HA 0.405 4.932 4.527 0.000 0.000 0.364 130 F C 1.168 176.968 175.800 0.001 0.000 1.090 130 F CA -0.852 57.269 58.000 0.202 0.000 1.200 130 F CB 0.840 39.917 39.000 0.128 0.000 1.493 130 F HN 0.584 nan 8.300 nan 0.000 0.518 131 G N 0.885 109.790 108.800 0.175 0.000 2.437 131 G HA2 0.025 3.985 3.960 0.000 0.000 0.212 131 G HA3 0.025 3.985 3.960 0.000 0.000 0.212 131 G C 1.313 176.189 174.900 -0.040 0.000 1.174 131 G CA -0.007 45.026 45.100 -0.113 0.000 0.811 131 G HN 0.502 nan 8.290 nan 0.000 0.537 132 R N 0.883 121.426 120.500 0.072 0.000 3.152 132 R HA 0.506 4.846 4.340 0.000 0.000 0.209 132 R C 0.023 176.336 176.300 0.023 0.000 1.649 132 R CA 0.372 56.501 56.100 0.049 0.000 1.185 132 R CB -1.253 29.094 30.300 0.077 0.000 1.258 132 R HN 0.568 nan 8.270 nan 0.000 0.656 133 Q N 0.410 120.196 119.800 -0.023 0.000 2.503 133 Q HA 0.188 4.528 4.340 0.000 0.000 0.268 133 Q C -2.089 173.877 176.000 -0.056 0.000 0.982 133 Q CA -1.696 54.082 55.803 -0.041 0.000 0.907 133 Q CB 2.739 31.447 28.738 -0.050 0.000 1.467 133 Q HN 0.317 nan 8.270 nan 0.000 0.394 134 P HA -0.194 nan 4.420 nan 0.000 0.214 134 P C 0.000 177.273 177.300 -0.045 0.000 1.163 134 P CA 1.542 64.619 63.100 -0.038 0.000 0.889 134 P CB 0.253 31.935 31.700 -0.030 0.000 0.790 135 Q N 0.451 120.223 119.800 -0.046 0.000 2.563 135 Q HA 0.400 4.741 4.340 0.000 0.000 0.232 135 Q C -2.581 173.383 176.000 -0.059 0.000 1.106 135 Q CA -2.091 53.687 55.803 -0.041 0.000 0.913 135 Q CB -0.554 28.172 28.738 -0.020 0.000 1.175 135 Q HN 0.247 nan 8.270 nan 0.000 0.540 136 P HA 0.293 nan 4.420 nan 0.000 0.271 136 P C -0.804 176.460 177.300 -0.060 0.000 1.216 136 P CA -0.063 62.895 63.100 -0.235 0.000 0.776 136 P CB 0.982 32.249 31.700 -0.721 0.000 0.881 137 N N 0.420 119.203 118.700 0.138 0.000 2.455 137 N HA 0.445 5.185 4.740 0.000 0.000 0.278 137 N C -1.547 174.195 175.510 0.387 0.000 1.291 137 N CA -1.057 52.146 53.050 0.255 0.000 0.780 137 N CB 0.807 39.392 38.487 0.164 0.000 1.520 137 N HN 0.008 nan 8.380 nan 0.000 0.486 138 V N 0.375 120.387 119.914 0.162 0.000 2.481 138 V HA 0.634 4.754 4.120 0.000 0.000 0.286 138 V C -0.157 176.017 176.094 0.134 0.000 1.042 138 V CA -0.361 61.996 62.300 0.096 0.000 0.928 138 V CB 1.110 32.813 31.823 -0.200 0.000 0.986 138 V HN 0.793 nan 8.190 nan 0.000 0.462 139 S N 2.960 118.796 115.700 0.225 0.000 2.526 139 S HA 0.508 4.978 4.470 0.000 0.000 0.293 139 S C -0.777 173.978 174.600 0.259 0.000 1.092 139 S CA -0.749 57.614 58.200 0.272 0.000 0.980 139 S CB 1.767 65.249 63.200 0.469 0.000 1.048 139 S HN 0.787 nan 8.310 nan 0.000 0.483 140 E N 1.680 122.036 120.200 0.260 0.000 2.113 140 E HA 0.428 4.778 4.350 0.000 0.000 0.273 140 E C -1.450 175.286 176.600 0.226 0.000 0.924 140 E CA -0.618 55.943 56.400 0.268 0.000 0.764 140 E CB 0.938 30.814 29.700 0.293 0.000 1.104 140 E HN 0.125 nan 8.360 nan 0.000 0.406 141 L N 3.827 125.180 121.223 0.217 0.000 2.343 141 L HA 0.303 4.643 4.340 0.000 0.000 0.278 141 L C -0.641 176.332 176.870 0.172 0.000 0.996 141 L CA -0.831 54.129 54.840 0.200 0.000 0.831 141 L CB 1.711 43.899 42.059 0.215 0.000 1.232 141 L HN 0.317 nan 8.230 nan 0.000 0.413 142 V N 4.820 124.833 119.914 0.165 0.000 2.432 142 V HA 0.418 4.538 4.120 0.000 0.000 0.271 142 V C 0.078 176.250 176.094 0.130 0.000 1.046 142 V CA -0.473 61.916 62.300 0.149 0.000 0.945 142 V CB 1.579 33.501 31.823 0.164 0.000 0.992 142 V HN 0.431 nan 8.190 nan 0.000 0.471 143 V N 4.684 124.605 119.914 0.012 0.000 2.448 143 V HA 0.983 5.103 4.120 0.000 0.000 0.295 143 V C 0.506 176.364 176.094 -0.395 0.000 1.025 143 V CA 0.211 62.387 62.300 -0.207 0.000 0.859 143 V CB 1.347 33.051 31.823 -0.197 0.000 0.988 143 V HN 1.070 nan 8.190 nan 0.000 0.431 144 G N 5.440 113.687 108.800 -0.921 0.000 2.554 144 G HA2 0.667 4.627 3.960 0.000 0.000 0.306 144 G HA3 0.667 4.627 3.960 0.000 0.000 0.306 144 G C -3.499 170.535 174.900 -1.443 0.000 1.320 144 G CA -0.843 43.711 45.100 -0.910 0.000 0.800 144 G HN 0.465 nan 8.290 nan 0.000 0.481 145 P HA 0.563 nan 4.420 nan 0.000 0.294 145 P C -0.554 176.605 177.300 -0.235 0.000 1.294 145 P CA -0.557 62.394 63.100 -0.249 0.000 0.827 145 P CB 1.751 33.439 31.700 -0.021 0.000 0.992 146 L N 5.583 126.679 121.223 -0.211 0.000 2.452 146 L HA 0.206 4.546 4.340 0.000 0.000 0.267 146 L C -0.608 176.136 176.870 -0.210 0.000 1.188 146 L CA -0.857 53.856 54.840 -0.212 0.000 0.821 146 L CB -0.473 41.478 42.059 -0.181 0.000 1.102 146 L HN 0.373 nan 8.230 nan 0.000 0.470 147 P HA -0.033 nan 4.420 nan 0.000 0.236 147 P C -0.335 176.630 177.300 -0.559 0.000 1.177 147 P CA 0.941 63.771 63.100 -0.450 0.000 0.773 147 P CB 0.322 31.675 31.700 -0.579 0.000 0.878 148 H N 0.957 119.974 119.070 -0.089 0.000 2.791 148 H HA 0.324 4.881 4.556 0.000 0.000 0.272 148 H C -2.387 172.858 175.328 -0.139 0.000 1.188 148 H CA -2.582 53.419 56.048 -0.078 0.000 1.436 148 H CB 0.949 30.691 29.762 -0.034 0.000 1.467 148 H HN 0.182 nan 8.280 nan 0.000 0.500 149 P HA 0.037 nan 4.420 nan 0.000 0.271 149 P C 0.775 177.823 177.300 -0.421 0.000 1.218 149 P CA -0.082 62.728 63.100 -0.484 0.000 0.780 149 P CB 1.615 32.825 31.700 -0.818 0.000 0.901 150 S N 1.276 116.716 115.700 -0.433 0.000 2.670 150 S HA 0.114 4.584 4.470 0.000 0.000 0.241 150 S C 0.480 175.149 174.600 0.116 0.000 1.077 150 S CA -0.230 57.972 58.200 0.003 0.000 0.899 150 S CB -0.544 62.717 63.200 0.102 0.000 0.835 150 S HN 0.525 nan 8.310 nan 0.000 0.481 151 Y N 0.567 120.821 120.300 -0.075 0.000 2.675 151 Y HA 0.858 5.408 4.550 0.000 0.000 0.328 151 Y C -0.502 175.404 175.900 0.010 0.000 1.092 151 Y CA -1.748 56.392 58.100 0.068 0.000 1.190 151 Y CB 1.104 39.585 38.460 0.036 0.000 1.350 151 Y HN 0.237 nan 8.280 nan 0.000 0.525 152 M N 1.230 121.073 119.600 0.404 0.000 2.298 152 M HA 0.770 5.250 4.480 0.000 0.000 0.255 152 M C -1.973 174.502 176.300 0.291 0.000 1.021 152 M CA -0.413 55.074 55.300 0.312 0.000 0.968 152 M CB 1.654 34.501 32.600 0.411 0.000 2.037 152 M HN 1.200 nan 8.290 nan 0.000 0.478 153 R N 2.481 123.132 120.500 0.253 0.000 2.513 153 R HA 0.591 4.931 4.340 0.000 0.000 0.301 153 R C -1.501 174.896 176.300 0.162 0.000 0.968 153 R CA -0.448 55.760 56.100 0.179 0.000 0.872 153 R CB 1.343 31.723 30.300 0.133 0.000 1.177 153 R HN 0.845 nan 8.270 nan 0.000 0.444 154 D N 1.881 122.369 120.400 0.146 0.000 2.338 154 D HA 0.165 4.805 4.640 0.000 0.000 0.255 154 D C 1.181 177.549 176.300 0.115 0.000 1.237 154 D CA 0.563 54.654 54.000 0.150 0.000 0.883 154 D CB 1.549 42.438 40.800 0.149 0.000 1.087 154 D HN 0.409 nan 8.370 nan 0.000 0.485 155 V N 0.941 120.924 119.914 0.115 0.000 3.621 155 V HA 0.048 4.169 4.120 0.000 0.000 0.285 155 V C 1.711 177.831 176.094 0.044 0.000 1.346 155 V CA 0.524 62.866 62.300 0.070 0.000 1.104 155 V CB -0.358 31.505 31.823 0.067 0.000 0.913 155 V HN 0.515 nan 8.190 nan 0.000 0.432 156 T N 2.237 116.849 114.554 0.097 0.000 2.592 156 T HA -0.237 4.113 4.350 0.000 0.000 0.267 156 T C 1.895 176.633 174.700 0.064 0.000 1.060 156 T CA 2.528 64.699 62.100 0.118 0.000 1.167 156 T CB -0.522 68.445 68.868 0.165 0.000 0.863 156 T HN 0.467 nan 8.240 nan 0.000 0.431 157 V N 1.094 121.046 119.914 0.063 0.000 2.453 157 V HA -0.111 4.009 4.120 0.000 0.000 0.247 157 V C 2.457 178.563 176.094 0.020 0.000 1.048 157 V CA 1.605 63.935 62.300 0.051 0.000 1.049 157 V CB -0.721 31.131 31.823 0.048 0.000 0.672 157 V HN 0.488 nan 8.190 nan 0.000 0.457 158 E N 0.500 120.703 120.200 0.005 0.000 2.033 158 E HA -0.264 4.086 4.350 0.000 0.000 0.199 158 E C 2.527 179.097 176.600 -0.051 0.000 1.011 158 E CA 1.881 58.274 56.400 -0.012 0.000 0.815 158 E CB -0.046 29.650 29.700 -0.007 0.000 0.755 158 E HN 0.527 nan 8.360 nan 0.000 0.451 159 R N -0.887 119.531 120.500 -0.138 0.000 2.057 159 R HA -0.053 4.287 4.340 0.000 0.000 0.229 159 R C 2.067 178.204 176.300 -0.272 0.000 1.136 159 R CA 1.352 57.278 56.100 -0.290 0.000 0.952 159 R CB -0.216 29.754 30.300 -0.549 0.000 0.848 159 R HN 0.352 nan 8.270 nan 0.000 0.430 160 H N -0.985 118.132 119.070 0.078 0.000 2.529 160 H HA 0.218 4.774 4.556 0.000 0.000 0.277 160 H C 0.947 176.305 175.328 0.050 0.000 1.004 160 H CA 0.581 56.670 56.048 0.069 0.000 1.167 160 H CB 0.716 30.515 29.762 0.063 0.000 1.445 160 H HN 0.512 nan 8.280 nan 0.000 0.554 161 G N 0.710 109.570 108.800 0.100 0.000 2.225 161 G HA2 -0.126 3.834 3.960 0.000 0.000 0.267 161 G HA3 -0.126 3.834 3.960 0.000 0.000 0.267 161 G C 0.594 175.537 174.900 0.072 0.000 1.024 161 G CA 0.694 45.838 45.100 0.072 0.000 0.784 161 G HN 0.922 nan 8.290 nan 0.000 0.507 162 G N -1.468 107.383 108.800 0.084 0.000 2.336 162 G HA2 0.631 4.591 3.960 0.000 0.000 0.300 162 G HA3 0.631 4.591 3.960 0.000 0.000 0.300 162 G C -3.019 171.925 174.900 0.073 0.000 1.375 162 G CA 0.038 45.178 45.100 0.066 0.000 0.885 162 G HN 0.614 nan 8.290 nan 0.000 0.599 163 P HA 0.353 nan 4.420 nan 0.000 0.272 163 P C -0.234 177.061 177.300 -0.008 0.000 1.223 163 P CA -0.205 62.919 63.100 0.039 0.000 0.784 163 P CB 0.985 32.705 31.700 0.033 0.000 0.923 164 L N 4.010 125.198 121.223 -0.058 0.000 2.261 164 L HA 0.291 4.631 4.340 0.000 0.000 0.289 164 L C -1.970 174.777 176.870 -0.205 0.000 1.059 164 L CA -2.130 52.578 54.840 -0.220 0.000 0.816 164 L CB 0.587 42.388 42.059 -0.430 0.000 1.191 164 L HN 0.187 nan 8.230 nan 0.000 0.431 165 P HA -0.135 nan 4.420 nan 0.000 0.265 165 P C 0.046 177.163 177.300 -0.306 0.000 1.187 165 P CA 0.216 63.185 63.100 -0.218 0.000 0.766 165 P CB 0.413 31.906 31.700 -0.346 0.000 0.820 166 Y N 3.169 123.326 120.300 -0.237 0.000 2.352 166 Y HA -0.224 4.326 4.550 0.000 0.000 0.292 166 Y C 2.409 178.161 175.900 -0.246 0.000 1.136 166 Y CA 1.669 59.636 58.100 -0.221 0.000 1.227 166 Y CB -0.528 37.880 38.460 -0.087 0.000 0.991 166 Y HN 0.524 nan 8.280 nan 0.000 0.545 167 H N -1.312 117.713 119.070 -0.075 0.000 2.491 167 H HA -0.007 4.549 4.556 0.000 0.000 0.290 167 H C 1.603 176.836 175.328 -0.158 0.000 1.050 167 H CA 1.081 57.058 56.048 -0.117 0.000 1.309 167 H CB -0.347 29.389 29.762 -0.042 0.000 1.392 167 H HN 0.310 nan 8.280 nan 0.000 0.554 168 R N 1.396 121.555 120.500 -0.567 0.000 2.235 168 R HA 0.005 4.345 4.340 0.000 0.000 0.213 168 R C 1.025 177.198 176.300 -0.212 0.000 1.059 168 R CA 0.139 56.052 56.100 -0.311 0.000 0.997 168 R CB -0.011 30.064 30.300 -0.376 0.000 0.884 168 R HN 0.441 nan 8.270 nan 0.000 0.462 169 R N 2.372 122.598 120.500 -0.458 0.000 2.643 169 R HA 0.129 4.469 4.340 0.000 0.000 0.270 169 R C -2.560 173.505 176.300 -0.392 0.000 1.061 169 R CA -1.601 54.151 56.100 -0.579 0.000 1.107 169 R CB -0.090 29.349 30.300 -1.435 0.000 0.999 169 R HN -0.240 nan 8.270 nan 0.000 0.460 170 P HA -0.056 nan 4.420 nan 0.000 0.269 170 P C -0.605 176.629 177.300 -0.109 0.000 1.209 170 P CA -0.285 62.708 63.100 -0.180 0.000 0.776 170 P CB 0.530 32.159 31.700 -0.119 0.000 0.876 171 V N 4.556 124.425 119.914 -0.075 0.000 2.485 171 V HA -0.024 4.096 4.120 0.000 0.000 0.287 171 V C 0.976 177.093 176.094 0.038 0.000 1.022 171 V CA 0.233 62.451 62.300 -0.138 0.000 1.067 171 V CB -0.610 30.941 31.823 -0.453 0.000 0.967 171 V HN 0.369 nan 8.190 nan 0.000 0.479 172 L N 4.172 125.487 121.223 0.153 0.000 2.476 172 L HA 0.132 4.472 4.340 0.000 0.000 0.264 172 L C 1.386 178.518 176.870 0.435 0.000 1.224 172 L CA -0.136 54.937 54.840 0.388 0.000 0.821 172 L CB 0.057 42.349 42.059 0.389 0.000 1.101 172 L HN 0.662 nan 8.230 nan 0.000 0.488 173 F N 1.059 121.267 119.950 0.429 0.000 2.095 173 F HA -0.257 4.270 4.527 0.000 0.000 0.298 173 F C 2.405 178.427 175.800 0.369 0.000 1.104 173 F CA 1.887 60.167 58.000 0.467 0.000 1.232 173 F CB -0.212 38.989 39.000 0.334 0.000 0.987 173 F HN 0.589 nan 8.300 nan 0.000 0.475 174 Q N 0.919 120.774 119.800 0.092 0.000 2.096 174 Q HA -0.252 4.088 4.340 0.000 0.000 0.204 174 Q C 2.264 178.288 176.000 0.041 0.000 0.982 174 Q CA 2.283 58.069 55.803 -0.028 0.000 0.850 174 Q CB -0.673 28.133 28.738 0.115 0.000 0.901 174 Q HN 0.659 nan 8.270 nan 0.000 0.422 175 E N -1.466 118.805 120.200 0.120 0.000 2.118 175 E HA -0.234 4.116 4.350 0.000 0.000 0.195 175 E C 1.523 178.130 176.600 0.012 0.000 0.992 175 E CA 1.300 57.772 56.400 0.119 0.000 0.804 175 E CB -0.202 29.521 29.700 0.039 0.000 0.741 175 E HN 0.521 nan 8.360 nan 0.000 0.458 176 Y N 0.485 120.833 120.300 0.080 0.000 2.181 176 Y HA -0.168 4.382 4.550 0.000 0.000 0.288 176 Y C 2.188 178.075 175.900 -0.022 0.000 1.146 176 Y CA 1.125 59.259 58.100 0.057 0.000 1.164 176 Y CB -0.297 38.269 38.460 0.178 0.000 0.982 176 Y HN 0.076 nan 8.280 nan 0.000 0.515 177 L N -0.451 120.785 121.223 0.021 0.000 2.017 177 L HA -0.250 4.090 4.340 0.000 0.000 0.208 177 L C 2.031 178.928 176.870 0.046 0.000 1.073 177 L CA 1.413 56.228 54.840 -0.043 0.000 0.745 177 L CB -0.563 41.372 42.059 -0.207 0.000 0.894 177 L HN 0.182 nan 8.230 nan 0.000 0.432 178 D N 0.339 120.791 120.400 0.086 0.000 2.104 178 D HA -0.201 4.439 4.640 0.000 0.000 0.194 178 D C 2.274 178.709 176.300 0.225 0.000 0.994 178 D CA 1.321 55.407 54.000 0.143 0.000 0.830 178 D CB -0.175 40.729 40.800 0.174 0.000 0.959 178 D HN 0.275 nan 8.370 nan 0.000 0.452 179 I N 1.100 121.818 120.570 0.246 0.000 2.248 179 I HA -0.260 3.910 4.170 0.000 0.000 0.248 179 I C 1.673 177.784 176.117 -0.009 0.000 1.107 179 I CA 1.272 62.617 61.300 0.075 0.000 1.373 179 I CB -0.348 37.502 38.000 -0.251 0.000 1.055 179 I HN -0.073 nan 8.210 nan 0.000 0.418 180 D N 0.240 120.673 120.400 0.055 0.000 2.149 180 D HA -0.162 4.479 4.640 0.000 0.000 0.201 180 D C 2.136 178.595 176.300 0.266 0.000 0.972 180 D CA 0.835 54.947 54.000 0.187 0.000 0.835 180 D CB -0.132 40.825 40.800 0.262 0.000 0.966 180 D HN 0.181 nan 8.370 nan 0.000 0.476 181 Q N 0.209 120.110 119.800 0.167 0.000 2.014 181 Q HA -0.186 4.154 4.340 0.000 0.000 0.207 181 Q C 2.149 178.226 176.000 0.129 0.000 0.993 181 Q CA 1.483 57.370 55.803 0.140 0.000 0.850 181 Q CB -0.346 28.439 28.738 0.078 0.000 0.916 181 Q HN 0.331 nan 8.270 nan 0.000 0.417 182 M N -0.567 119.095 119.600 0.103 0.000 2.110 182 M HA -0.254 4.226 4.480 0.000 0.000 0.257 182 M C 1.860 178.175 176.300 0.026 0.000 1.071 182 M CA 1.921 57.269 55.300 0.080 0.000 1.096 182 M CB -0.281 32.400 32.600 0.134 0.000 1.300 182 M HN 0.326 nan 8.290 nan 0.000 0.411 183 I N -0.501 120.039 120.570 -0.050 0.000 2.163 183 I HA -0.306 3.864 4.170 0.000 0.000 0.243 183 I C 1.936 177.910 176.117 -0.238 0.000 1.085 183 I CA 1.567 62.728 61.300 -0.232 0.000 1.347 183 I CB -0.376 37.338 38.000 -0.477 0.000 1.044 183 I HN 0.273 nan 8.210 nan 0.000 0.408 184 F N 0.441 120.409 119.950 0.030 0.000 2.387 184 F HA -0.032 4.495 4.527 0.000 0.000 0.294 184 F C 2.257 178.105 175.800 0.080 0.000 1.093 184 F CA 0.703 58.744 58.000 0.067 0.000 1.420 184 F CB -0.456 38.579 39.000 0.059 0.000 1.086 184 F HN 0.063 nan 8.300 nan 0.000 0.531 185 N N 0.296 119.131 118.700 0.224 0.000 2.178 185 N HA -0.008 4.732 4.740 0.000 0.000 0.189 185 N C 1.846 177.415 175.510 0.098 0.000 1.048 185 N CA 1.030 54.165 53.050 0.143 0.000 0.855 185 N CB -0.547 38.002 38.487 0.103 0.000 1.028 185 N HN 0.152 nan 8.380 nan 0.000 0.441 186 R N 0.588 121.129 120.500 0.068 0.000 2.153 186 R HA 0.095 4.435 4.340 0.000 0.000 0.218 186 R C 1.205 177.521 176.300 0.027 0.000 1.072 186 R CA 0.804 56.931 56.100 0.044 0.000 0.990 186 R CB 0.182 30.505 30.300 0.037 0.000 0.889 186 R HN 0.328 nan 8.270 nan 0.000 0.452 187 E N 0.496 120.699 120.200 0.005 0.000 2.192 187 E HA 0.079 4.429 4.350 0.000 0.000 0.196 187 E C 2.173 178.735 176.600 -0.062 0.000 0.922 187 E CA 0.164 56.544 56.400 -0.032 0.000 0.924 187 E CB -0.238 29.426 29.700 -0.060 0.000 0.911 187 E HN 0.120 nan 8.360 nan 0.000 0.478 188 L N 1.560 122.721 121.223 -0.102 0.000 2.127 188 L HA -0.136 4.204 4.340 0.000 0.000 0.211 188 L C -0.614 176.167 176.870 -0.148 0.000 1.089 188 L CA 1.321 56.053 54.840 -0.182 0.000 0.757 188 L CB -1.445 40.475 42.059 -0.232 0.000 0.899 188 L HN 0.103 nan 8.230 nan 0.000 0.434 189 P HA -0.204 nan 4.420 nan 0.000 0.218 189 P C 1.287 178.611 177.300 0.040 0.000 1.148 189 P CA 1.196 64.372 63.100 0.126 0.000 0.822 189 P CB -0.041 31.760 31.700 0.168 0.000 0.784 190 Q N -1.106 118.692 119.800 -0.004 0.000 2.443 190 Q HA -0.051 4.289 4.340 0.000 0.000 0.213 190 Q C 1.329 177.301 176.000 -0.046 0.000 0.982 190 Q CA 1.221 57.014 55.803 -0.016 0.000 0.894 190 Q CB -0.354 28.369 28.738 -0.025 0.000 0.947 190 Q HN 0.213 nan 8.270 nan 0.000 0.480 191 A N 0.184 122.944 122.820 -0.101 0.000 2.589 191 A HA 0.131 4.451 4.320 0.000 0.000 0.283 191 A C 1.622 179.114 177.584 -0.153 0.000 1.187 191 A CA 0.019 51.971 52.037 -0.143 0.000 0.957 191 A CB 0.183 19.043 19.000 -0.233 0.000 1.175 191 A HN 0.260 nan 8.150 nan 0.000 0.532 192 S N -0.673 114.992 115.700 -0.059 0.000 2.465 192 S HA -0.080 4.390 4.470 0.000 0.000 0.241 192 S C 1.832 176.604 174.600 0.287 0.000 1.000 192 S CA 1.456 59.718 58.200 0.103 0.000 0.964 192 S CB -0.622 62.826 63.200 0.415 0.000 0.763 192 S HN 0.671 nan 8.310 nan 0.000 0.512 193 G N 2.251 111.151 108.800 0.166 0.000 2.484 193 G HA2 -0.118 3.842 3.960 0.000 0.000 0.215 193 G HA3 -0.118 3.842 3.960 0.000 0.000 0.215 193 G C 1.290 176.331 174.900 0.235 0.000 1.219 193 G CA 0.945 46.189 45.100 0.239 0.000 0.791 193 G HN 0.483 nan 8.290 nan 0.000 0.550 194 L N 0.792 121.984 121.223 -0.052 0.000 1.990 194 L HA -0.040 4.300 4.340 0.000 0.000 0.213 194 L C 2.777 179.448 176.870 -0.332 0.000 1.072 194 L CA 1.603 56.038 54.840 -0.675 0.000 0.755 194 L CB -0.692 40.859 42.059 -0.845 0.000 0.889 194 L HN 0.253 nan 8.230 nan 0.000 0.432 195 L N -1.393 119.676 121.223 -0.257 0.000 2.083 195 L HA -0.259 4.082 4.340 0.000 0.000 0.209 195 L C 2.518 179.354 176.870 -0.058 0.000 1.083 195 L CA 1.401 56.096 54.840 -0.242 0.000 0.752 195 L CB -0.833 40.897 42.059 -0.548 0.000 0.899 195 L HN 0.394 nan 8.230 nan 0.000 0.433 196 H N -1.960 117.141 119.070 0.052 0.000 2.387 196 H HA -0.184 4.372 4.556 0.000 0.000 0.299 196 H C 2.302 177.634 175.328 0.006 0.000 1.090 196 H CA 1.687 57.795 56.048 0.100 0.000 1.332 196 H CB -0.055 29.790 29.762 0.137 0.000 1.386 196 H HN 0.327 nan 8.280 nan 0.000 0.516 197 H N -0.501 118.570 119.070 0.000 0.000 2.395 197 H HA -0.086 4.470 4.556 0.000 0.000 0.299 197 H C 1.747 176.966 175.328 -0.181 0.000 1.070 197 H CA 1.566 57.572 56.048 -0.071 0.000 1.356 197 H CB 0.213 29.941 29.762 -0.057 0.000 1.401 197 H HN 0.580 nan 8.280 nan 0.000 0.524 198 C N -1.680 117.468 119.300 -0.254 0.000 2.935 198 C HA 0.369 4.829 4.460 0.000 0.000 0.308 198 C C 1.637 176.489 174.990 -0.229 0.000 1.263 198 C CA -0.154 58.698 59.018 -0.277 0.000 1.738 198 C CB -0.647 27.006 27.740 -0.145 0.000 2.237 198 C HN 0.571 nan 8.230 nan 0.000 0.600 199 C N -0.715 118.459 119.300 -0.209 0.000 3.596 199 C HA 0.453 4.913 4.460 0.000 0.000 0.268 199 C C 0.326 175.530 174.990 0.357 0.000 1.912 199 C CA -0.566 58.560 59.018 0.180 0.000 1.721 199 C CB -2.094 25.713 27.740 0.112 0.000 3.328 199 C HN 0.559 nan 8.230 nan 0.000 0.500 200 F N -0.848 119.184 119.950 0.136 0.000 3.090 200 F HA -0.248 4.279 4.527 0.000 0.000 0.282 200 F C 0.562 176.399 175.800 0.063 0.000 0.923 200 F CA 0.436 58.482 58.000 0.076 0.000 0.977 200 F CB -2.431 36.588 39.000 0.032 0.000 0.954 200 F HN 0.486 nan 8.300 nan 0.000 0.695 201 Y N 1.332 121.590 120.300 -0.070 0.000 2.578 201 Y HA 0.448 4.998 4.550 0.000 0.000 0.339 201 Y C 0.357 176.045 175.900 -0.354 0.000 1.231 201 Y CA 0.387 58.362 58.100 -0.208 0.000 1.461 201 Y CB 0.353 38.610 38.460 -0.339 0.000 1.323 201 Y HN 0.343 nan 8.280 nan 0.000 0.590 207 N N 1.863 120.585 118.700 0.038 0.000 2.251 207 N HA 0.297 5.038 4.740 0.000 0.000 0.217 207 N C -0.036 175.594 175.510 0.201 0.000 1.124 207 N CA 0.168 53.276 53.050 0.096 0.000 0.843 207 N CB 0.502 39.058 38.487 0.116 0.000 1.024 207 N HN 0.577 nan 8.380 nan 0.000 0.501 208 L N 0.397 121.738 121.223 0.196 0.000 2.354 208 L HA 0.658 4.998 4.340 0.000 0.000 0.264 208 L C -0.478 176.532 176.870 0.232 0.000 1.008 208 L CA -1.361 53.639 54.840 0.266 0.000 0.819 208 L CB 2.275 44.562 42.059 0.380 0.000 1.339 208 L HN -0.102 nan 8.230 nan 0.000 0.420 209 V N -1.988 118.038 119.914 0.186 0.000 3.078 209 V HA 0.815 4.935 4.120 0.000 0.000 0.311 209 V C -0.305 175.902 176.094 0.187 0.000 1.138 209 V CA -0.602 61.752 62.300 0.091 0.000 1.007 209 V CB 1.775 33.410 31.823 -0.312 0.000 1.045 209 V HN 0.859 nan 8.190 nan 0.000 0.432 210 T N 0.592 115.277 114.554 0.219 0.000 2.918 210 T HA 0.783 5.133 4.350 0.000 0.000 0.286 210 T C -0.574 174.367 174.700 0.400 0.000 1.026 210 T CA -0.625 61.680 62.100 0.342 0.000 1.031 210 T CB 1.864 70.897 68.868 0.275 0.000 1.046 210 T HN 1.075 nan 8.240 nan 0.000 0.479 211 M N 2.545 122.520 119.600 0.625 0.000 2.263 211 M HA 0.378 4.858 4.480 0.000 0.000 0.295 211 M C 0.044 176.664 176.300 0.533 0.000 1.028 211 M CA -0.557 55.082 55.300 0.566 0.000 0.921 211 M CB 2.242 35.184 32.600 0.570 0.000 1.601 211 M HN 0.980 nan 8.290 nan 0.000 0.440 212 T N 2.281 117.085 114.554 0.416 0.000 2.734 212 T HA 0.435 4.786 4.350 0.000 0.000 0.314 212 T C 0.085 174.888 174.700 0.171 0.000 1.057 212 T CA 0.392 62.549 62.100 0.096 0.000 1.047 212 T CB 0.460 69.567 68.868 0.397 0.000 0.991 212 T HN 0.879 nan 8.240 nan 0.000 0.540 213 T N -0.833 113.752 114.554 0.052 0.000 2.716 213 T HA 0.856 5.206 4.350 0.000 0.000 0.286 213 T C -0.869 173.917 174.700 0.143 0.000 1.052 213 T CA -0.380 61.780 62.100 0.100 0.000 1.024 213 T CB 1.429 70.276 68.868 -0.035 0.000 1.349 213 T HN 1.143 nan 8.240 nan 0.000 0.525 214 A N 0.581 123.379 122.820 -0.037 0.000 2.586 214 A HA 0.850 5.170 4.320 0.000 0.000 0.291 214 A C -3.155 174.393 177.584 -0.060 0.000 1.062 214 A CA -1.448 50.627 52.037 0.064 0.000 0.666 214 A CB 0.606 19.776 19.000 0.283 0.000 1.281 214 A HN 0.746 nan 8.150 nan 0.000 0.421 215 P HA 0.277 nan 4.420 nan 0.000 0.275 215 P C -0.852 176.543 177.300 0.158 0.000 1.270 215 P CA -0.095 63.038 63.100 0.055 0.000 0.791 215 P CB 0.430 32.057 31.700 -0.121 0.000 1.089 216 R N 0.237 120.868 120.500 0.218 0.000 3.050 216 R HA 0.595 4.935 4.340 0.000 0.000 0.275 216 R C 0.565 176.979 176.300 0.189 0.000 1.373 216 R CA -0.283 55.916 56.100 0.165 0.000 1.612 216 R CB 0.125 30.476 30.300 0.086 0.000 1.218 216 R HN 0.862 nan 8.270 nan 0.000 0.621 217 G N 0.320 109.264 108.800 0.240 0.000 2.250 217 G HA2 -0.120 3.840 3.960 0.000 0.000 0.252 217 G HA3 -0.120 3.840 3.960 0.000 0.000 0.252 217 G C -0.347 174.639 174.900 0.144 0.000 1.325 217 G CA -0.920 44.241 45.100 0.102 0.000 1.091 217 G HN 0.275 nan 8.290 nan 0.000 0.476 218 L N 0.256 121.309 121.223 -0.284 0.000 3.259 218 L HA 0.550 4.890 4.340 0.000 0.000 0.292 218 L C 0.257 176.462 176.870 -1.110 0.000 1.219 218 L CA 0.212 54.855 54.840 -0.329 0.000 1.035 218 L CB 0.970 42.923 42.059 -0.177 0.000 1.424 218 L HN 0.727 nan 8.230 nan 0.000 0.603 219 Q N 0.059 118.615 119.800 -2.072 0.000 2.617 219 Q HA 0.191 4.531 4.340 0.000 0.000 0.270 219 Q C -1.062 174.203 176.000 -1.225 0.000 0.967 219 Q CA -0.270 54.579 55.803 -1.591 0.000 0.887 219 Q CB 2.113 30.412 28.738 -0.732 0.000 1.516 219 Q HN -0.005 nan 8.270 nan 0.000 0.395 220 S N 1.080 116.454 115.700 -0.542 0.000 2.546 220 S HA 0.432 4.902 4.470 0.000 0.000 0.290 220 S C 1.055 175.476 174.600 -0.298 0.000 1.290 220 S CA 1.953 60.122 58.200 -0.051 0.000 1.069 220 S CB -0.074 63.192 63.200 0.109 0.000 0.846 220 S HN 1.222 nan 8.310 nan 0.000 0.495 221 G N 4.518 112.995 108.800 -0.540 0.000 2.308 221 G HA2 -0.191 3.769 3.960 0.000 0.000 0.221 221 G HA3 -0.191 3.769 3.960 0.000 0.000 0.221 221 G C -0.184 174.409 174.900 -0.512 0.000 1.032 221 G CA 0.043 44.574 45.100 -0.949 0.000 0.623 221 G HN 0.699 nan 8.290 nan 0.000 0.506 222 D N 0.231 120.429 120.400 -0.337 0.000 2.400 222 D HA 0.485 5.125 4.640 0.000 0.000 0.238 222 D C 1.037 177.252 176.300 -0.142 0.000 1.157 222 D CA 0.396 54.254 54.000 -0.237 0.000 0.889 222 D CB 0.650 41.286 40.800 -0.273 0.000 1.199 222 D HN 0.458 nan 8.370 nan 0.000 0.436 223 R N 0.240 120.614 120.500 -0.210 0.000 2.570 223 R HA 0.465 4.805 4.340 0.000 0.000 0.246 223 R C -1.539 174.452 176.300 -0.515 0.000 1.417 223 R CA -0.296 55.603 56.100 -0.334 0.000 1.525 223 R CB 0.252 30.318 30.300 -0.390 0.000 1.403 223 R HN 0.395 nan 8.270 nan 0.000 0.754 224 A N 0.795 123.447 122.820 -0.280 0.000 2.304 224 A HA 0.652 4.973 4.320 0.000 0.000 0.323 224 A C -0.587 176.932 177.584 -0.107 0.000 1.195 224 A CA -0.362 51.540 52.037 -0.225 0.000 0.826 224 A CB 1.544 20.422 19.000 -0.204 0.000 1.184 224 A HN 0.262 nan 8.150 nan 0.000 0.496 225 T N 2.248 116.801 114.554 -0.001 0.000 2.841 225 T HA 0.368 4.718 4.350 0.000 0.000 0.285 225 T C -0.819 173.853 174.700 -0.047 0.000 0.991 225 T CA -0.033 62.081 62.100 0.024 0.000 0.966 225 T CB 0.436 69.372 68.868 0.113 0.000 0.962 225 T HN 0.597 nan 8.240 nan 0.000 0.438 226 W N 3.030 124.297 121.300 -0.055 0.000 2.303 226 W HA 0.488 5.148 4.660 0.000 0.000 0.318 226 W C -0.446 175.994 176.519 -0.132 0.000 1.362 226 W CA -0.485 56.861 57.345 0.002 0.000 1.234 226 W CB 0.290 29.748 29.460 -0.004 0.000 1.248 226 W HN 0.521 nan 8.180 nan 0.000 0.546 227 F N 2.577 122.770 119.950 0.404 0.000 2.493 227 F HA 0.530 5.057 4.527 0.000 0.000 0.329 227 F C 0.920 176.902 175.800 0.303 0.000 1.126 227 F CA -0.901 57.293 58.000 0.323 0.000 0.937 227 F CB 1.209 40.344 39.000 0.223 0.000 1.146 227 F HN 0.314 nan 8.300 nan 0.000 0.442 228 G N 3.359 112.441 108.800 0.471 0.000 2.504 228 G HA2 0.579 4.539 3.960 0.000 0.000 0.288 228 G HA3 0.579 4.539 3.960 0.000 0.000 0.288 228 G C -1.290 173.671 174.900 0.102 0.000 1.182 228 G CA -0.504 44.757 45.100 0.268 0.000 0.894 228 G HN 0.417 nan 8.290 nan 0.000 0.521 229 L N 0.718 121.724 121.223 -0.362 0.000 2.362 229 L HA 0.530 4.870 4.340 0.000 0.000 0.275 229 L C -1.104 175.431 176.870 -0.558 0.000 0.998 229 L CA -0.685 53.995 54.840 -0.268 0.000 0.820 229 L CB 1.350 43.287 42.059 -0.204 0.000 1.270 229 L HN 0.562 nan 8.230 nan 0.000 0.415 230 Y N 1.262 121.543 120.300 -0.031 0.000 2.576 230 Y HA 0.425 4.975 4.550 0.000 0.000 0.346 230 Y C -0.392 175.511 175.900 0.005 0.000 1.018 230 Y CA -1.044 57.058 58.100 0.002 0.000 1.050 230 Y CB 1.551 40.154 38.460 0.237 0.000 1.280 230 Y HN 0.276 nan 8.280 nan 0.000 0.474 231 Y N 1.235 121.719 120.300 0.307 0.000 2.620 231 Y HA -0.038 4.512 4.550 0.000 0.000 0.330 231 Y C 0.893 176.879 175.900 0.142 0.000 1.186 231 Y CA -0.467 57.755 58.100 0.203 0.000 1.467 231 Y CB 0.072 38.646 38.460 0.190 0.000 1.262 231 Y HN 0.489 nan 8.280 nan 0.000 0.550 232 N N 4.313 123.153 118.700 0.232 0.000 2.892 232 N HA 0.007 4.747 4.740 0.000 0.000 0.300 232 N C -0.576 174.993 175.510 0.098 0.000 1.211 232 N CA -0.004 53.090 53.050 0.073 0.000 1.158 232 N CB -0.510 37.980 38.487 0.005 0.000 1.455 232 N HN 0.388 nan 8.380 nan 0.000 0.524 233 I N 0.618 121.283 120.570 0.157 0.000 2.872 233 I HA -0.076 4.094 4.170 0.000 0.000 0.291 233 I C 0.839 177.011 176.117 0.091 0.000 1.216 233 I CA 0.239 61.616 61.300 0.129 0.000 1.424 233 I CB 0.440 38.537 38.000 0.162 0.000 1.351 233 I HN 0.324 nan 8.210 nan 0.000 0.592 234 S N 3.407 119.150 115.700 0.071 0.000 2.442 234 S HA 0.538 5.008 4.470 0.000 0.000 0.297 234 S C 0.712 175.350 174.600 0.063 0.000 1.131 234 S CA 0.183 58.410 58.200 0.046 0.000 1.092 234 S CB 0.805 64.014 63.200 0.015 0.000 0.998 234 S HN 1.046 nan 8.310 nan 0.000 0.478 235 G N 2.794 111.627 108.800 0.056 0.000 2.153 235 G HA2 0.046 4.006 3.960 0.000 0.000 0.252 235 G HA3 0.046 4.006 3.960 0.000 0.000 0.252 235 G C 0.136 175.108 174.900 0.120 0.000 0.994 235 G CA 0.216 45.358 45.100 0.068 0.000 0.698 235 G HN 1.466 nan 8.290 nan 0.000 0.521 236 A N -1.748 121.151 122.820 0.132 0.000 2.601 236 A HA 0.905 5.225 4.320 0.000 0.000 0.291 236 A C 0.305 177.906 177.584 0.029 0.000 1.075 236 A CA 0.400 52.540 52.037 0.173 0.000 0.671 236 A CB 0.355 19.486 19.000 0.220 0.000 1.277 236 A HN 1.889 nan 8.150 nan 0.000 0.417 237 G N -0.206 108.457 108.800 -0.229 0.000 2.378 237 G HA2 0.439 4.399 3.960 0.000 0.000 0.255 237 G HA3 0.439 4.399 3.960 0.000 0.000 0.255 237 G C 0.445 175.018 174.900 -0.544 0.000 1.270 237 G CA 0.347 44.922 45.100 -0.873 0.000 0.876 237 G HN 1.383 nan 8.290 nan 0.000 0.521 238 F N 1.257 120.831 119.950 -0.627 0.000 2.456 238 F HA 0.171 4.698 4.527 0.000 0.000 0.298 238 F C 1.651 177.178 175.800 -0.455 0.000 1.104 238 F CA -0.247 57.527 58.000 -0.376 0.000 1.435 238 F CB -0.522 38.242 39.000 -0.393 0.000 1.078 238 F HN 0.341 nan 8.300 nan 0.000 0.546 239 F N 1.434 120.792 119.950 -0.987 0.000 2.287 239 F HA -0.111 4.416 4.527 0.000 0.000 0.301 239 F C 1.680 177.287 175.800 -0.322 0.000 1.069 239 F CA 0.922 58.444 58.000 -0.797 0.000 1.372 239 F CB -0.969 37.562 39.000 -0.783 0.000 1.056 239 F HN 0.065 nan 8.300 nan 0.000 0.523 240 L N -0.136 120.921 121.223 -0.278 0.000 2.629 240 L HA 0.074 4.414 4.340 0.000 0.000 0.230 240 L C 0.105 176.572 176.870 -0.672 0.000 1.151 240 L CA 0.259 54.834 54.840 -0.441 0.000 0.924 240 L CB -0.406 41.286 42.059 -0.613 0.000 1.137 240 L HN 0.247 nan 8.230 nan 0.000 0.457 241 H N -1.451 117.760 119.070 0.235 0.000 2.825 241 H HA 0.181 4.737 4.556 0.000 0.000 0.226 241 H C -0.353 175.211 175.328 0.393 0.000 1.414 241 H CA -0.373 55.849 56.048 0.290 0.000 1.198 241 H CB 0.148 30.065 29.762 0.258 0.000 2.013 241 H HN 0.147 nan 8.280 nan 0.000 0.530 242 H N 2.079 121.352 119.070 0.339 0.000 2.929 242 H HA 0.031 4.587 4.556 0.000 0.000 0.317 242 H C 1.254 176.532 175.328 -0.083 0.000 1.031 242 H CA 0.258 56.264 56.048 -0.070 0.000 1.466 242 H CB 1.382 31.137 29.762 -0.012 0.000 1.482 242 H HN 0.281 nan 8.280 nan 0.000 0.561 243 V N 2.180 121.779 119.914 -0.525 0.000 3.461 243 V HA 0.192 4.312 4.120 0.000 0.000 0.267 243 V C 1.380 177.180 176.094 -0.490 0.000 1.186 243 V CA 0.859 62.877 62.300 -0.470 0.000 1.154 243 V CB 0.004 31.502 31.823 -0.542 0.000 0.802 243 V HN 1.007 nan 8.190 nan 0.000 0.474 244 G N -0.004 108.465 108.800 -0.552 0.000 2.168 244 G HA2 -0.157 3.803 3.960 0.000 0.000 0.197 244 G HA3 -0.157 3.803 3.960 0.000 0.000 0.197 244 G C -0.504 174.247 174.900 -0.247 0.000 0.997 244 G CA 0.080 44.958 45.100 -0.370 0.000 0.658 244 G HN 0.792 nan 8.290 nan 0.000 0.513 245 L N 1.066 122.137 121.223 -0.253 0.000 2.356 245 L HA 0.855 5.196 4.340 0.000 0.000 0.277 245 L C -0.496 176.414 176.870 0.067 0.000 0.996 245 L CA -0.866 54.000 54.840 0.043 0.000 0.822 245 L CB 1.431 43.527 42.059 0.061 0.000 1.256 245 L HN 0.223 nan 8.230 nan 0.000 0.413 246 E N 5.593 125.977 120.200 0.306 0.000 2.288 246 E HA 0.641 4.991 4.350 0.000 0.000 0.268 246 E C -1.509 175.447 176.600 0.593 0.000 0.885 246 E CA -0.795 55.862 56.400 0.430 0.000 0.767 246 E CB 2.618 32.556 29.700 0.396 0.000 1.220 246 E HN 0.487 nan 8.360 nan 0.000 0.427 247 L N 2.543 124.085 121.223 0.531 0.000 2.376 247 L HA 0.356 4.696 4.340 0.000 0.000 0.275 247 L C -0.975 175.922 176.870 0.045 0.000 0.987 247 L CA -1.079 53.930 54.840 0.283 0.000 0.828 247 L CB 1.415 43.560 42.059 0.142 0.000 1.249 247 L HN 0.322 nan 8.230 nan 0.000 0.409 248 L N 5.030 125.953 121.223 -0.500 0.000 2.385 248 L HA 0.287 4.628 4.340 0.000 0.000 0.285 248 L C -0.287 176.405 176.870 -0.297 0.000 1.125 248 L CA 0.146 54.472 54.840 -0.855 0.000 0.890 248 L CB 0.845 42.060 42.059 -1.406 0.000 1.251 248 L HN 0.297 nan 8.230 nan 0.000 0.445 249 V N 5.227 125.112 119.914 -0.048 0.000 2.406 249 V HA 0.257 4.377 4.120 0.000 0.000 0.272 249 V C 0.389 176.492 176.094 0.014 0.000 1.043 249 V CA -0.654 61.675 62.300 0.048 0.000 0.915 249 V CB 1.084 33.011 31.823 0.174 0.000 0.988 249 V HN 0.745 nan 8.190 nan 0.000 0.466 250 N N 4.150 122.809 118.700 -0.068 0.000 2.437 250 N HA 0.156 4.896 4.740 0.000 0.000 0.243 250 N C 0.200 175.547 175.510 -0.271 0.000 1.041 250 N CA -0.398 52.555 53.050 -0.162 0.000 0.940 250 N CB 0.377 38.798 38.487 -0.110 0.000 1.133 250 N HN 0.847 nan 8.380 nan 0.000 0.506 251 H N 0.977 119.711 119.070 -0.560 0.000 2.481 251 H HA 0.325 4.881 4.556 0.000 0.000 0.273 251 H C 1.092 176.028 175.328 -0.653 0.000 1.145 251 H CA -0.607 54.641 56.048 -1.334 0.000 0.964 251 H CB 0.540 29.211 29.762 -1.818 0.000 1.722 251 H HN 0.393 nan 8.280 nan 0.000 0.573 252 K N 1.158 121.344 120.400 -0.356 0.000 2.103 252 K HA 0.129 4.449 4.320 0.000 0.000 0.204 252 K C 0.888 177.581 176.600 0.156 0.000 1.052 252 K CA 0.605 56.828 56.287 -0.108 0.000 0.945 252 K CB -0.068 32.372 32.500 -0.100 0.000 0.722 252 K HN 0.433 nan 8.250 nan 0.000 0.443 253 A N 1.398 124.401 122.820 0.306 0.000 2.540 253 A HA 0.015 4.335 4.320 0.000 0.000 0.239 253 A C 1.013 178.865 177.584 0.447 0.000 1.061 253 A CA 0.034 52.286 52.037 0.359 0.000 0.758 253 A CB 0.063 19.275 19.000 0.353 0.000 0.991 253 A HN 0.410 nan 8.150 nan 0.000 0.502 254 L N 0.729 122.103 121.223 0.251 0.000 2.265 254 L HA -0.088 4.252 4.340 0.000 0.000 0.215 254 L C 0.701 177.628 176.870 0.096 0.000 1.117 254 L CA 0.973 55.937 54.840 0.207 0.000 0.782 254 L CB -0.191 41.937 42.059 0.115 0.000 0.914 254 L HN 0.743 nan 8.230 nan 0.000 0.441 255 D N -0.548 119.858 120.400 0.009 0.000 2.427 255 D HA 0.161 4.802 4.640 0.000 0.000 0.226 255 D C -1.746 174.269 176.300 -0.476 0.000 1.076 255 D CA -2.455 51.450 54.000 -0.158 0.000 0.849 255 D CB 1.644 42.389 40.800 -0.092 0.000 1.052 255 D HN -0.220 nan 8.370 nan 0.000 0.515 256 P HA -0.188 nan 4.420 nan 0.000 0.217 256 P C 1.096 177.914 177.300 -0.803 0.000 1.148 256 P CA 1.587 63.676 63.100 -1.685 0.000 0.834 256 P CB 0.187 31.125 31.700 -1.271 0.000 0.783 257 A N 0.101 122.676 122.820 -0.408 0.000 1.927 257 A HA -0.257 4.063 4.320 0.000 0.000 0.220 257 A C 2.174 179.698 177.584 -0.099 0.000 1.185 257 A CA 1.826 53.750 52.037 -0.189 0.000 0.639 257 A CB -1.200 17.727 19.000 -0.123 0.000 0.820 257 A HN 0.154 nan 8.150 nan 0.000 0.451 258 R N -1.865 118.582 120.500 -0.087 0.000 2.339 258 R HA -0.051 4.289 4.340 0.000 0.000 0.199 258 R C -0.441 175.983 176.300 0.206 0.000 1.018 258 R CA -0.124 56.004 56.100 0.046 0.000 1.036 258 R CB -0.011 30.324 30.300 0.059 0.000 0.899 258 R HN 0.590 nan 8.270 nan 0.000 0.473 259 W N 1.800 123.116 121.300 0.027 0.000 2.210 259 W HA 0.069 4.729 4.660 0.000 0.000 0.330 259 W C 1.008 177.538 176.519 0.019 0.000 1.334 259 W CA -0.462 56.904 57.345 0.036 0.000 1.227 259 W CB 0.121 29.616 29.460 0.059 0.000 1.178 259 W HN -0.037 nan 8.180 nan 0.000 0.560 260 T N 0.049 114.739 114.554 0.227 0.000 2.864 260 T HA 0.772 5.122 4.350 0.000 0.000 0.289 260 T C -0.782 173.953 174.700 0.058 0.000 1.082 260 T CA -0.950 61.217 62.100 0.112 0.000 1.009 260 T CB 1.721 70.630 68.868 0.068 0.000 1.234 260 T HN 0.216 nan 8.240 nan 0.000 0.526 261 I N 2.163 122.748 120.570 0.025 0.000 2.390 261 I HA 0.236 4.406 4.170 0.000 0.000 0.283 261 I C 1.300 177.398 176.117 -0.031 0.000 1.016 261 I CA -0.654 60.639 61.300 -0.012 0.000 1.151 261 I CB 1.729 39.728 38.000 -0.002 0.000 1.293 261 I HN 0.787 nan 8.210 nan 0.000 0.458 262 Q N 3.927 123.679 119.800 -0.080 0.000 2.230 262 Q HA 0.054 4.394 4.340 0.000 0.000 0.202 262 Q C 0.156 176.127 176.000 -0.048 0.000 0.963 262 Q CA 0.959 56.716 55.803 -0.077 0.000 0.866 262 Q CB 0.406 29.068 28.738 -0.126 0.000 0.931 262 Q HN 0.419 nan 8.270 nan 0.000 0.452 263 K N -0.542 119.817 120.400 -0.069 0.000 2.607 263 K HA 0.475 4.795 4.320 0.000 0.000 0.287 263 K C -1.655 175.042 176.600 0.162 0.000 0.996 263 K CA -0.554 55.782 56.287 0.083 0.000 0.876 263 K CB 2.547 35.154 32.500 0.178 0.000 1.496 263 K HN -0.229 nan 8.250 nan 0.000 0.415 264 V N 1.738 121.871 119.914 0.366 0.000 2.733 264 V HA 0.496 4.616 4.120 0.000 0.000 0.306 264 V C -1.280 175.124 176.094 0.516 0.000 1.084 264 V CA -0.917 61.630 62.300 0.411 0.000 0.905 264 V CB 1.921 33.909 31.823 0.276 0.000 1.010 264 V HN 0.695 nan 8.190 nan 0.000 0.424 265 F N 5.152 125.303 119.950 0.336 0.000 2.482 265 F HA 0.756 5.283 4.527 0.000 0.000 0.331 265 F C -1.293 174.580 175.800 0.120 0.000 1.115 265 F CA -0.692 57.325 58.000 0.029 0.000 0.955 265 F CB 1.506 40.373 39.000 -0.221 0.000 1.136 265 F HN 0.532 nan 8.300 nan 0.000 0.452 266 Y N 5.245 125.194 120.300 -0.585 0.000 2.386 266 Y HA 0.257 4.807 4.550 0.000 0.000 0.334 266 Y C -0.152 175.373 175.900 -0.626 0.000 1.002 266 Y CA -1.022 56.848 58.100 -0.384 0.000 1.068 266 Y CB 1.323 39.707 38.460 -0.127 0.000 1.203 266 Y HN 0.744 nan 8.280 nan 0.000 0.443 267 Q N 4.717 123.871 119.800 -1.076 0.000 2.388 267 Q HA -0.281 4.059 4.340 0.000 0.000 0.346 267 Q C 1.031 176.542 176.000 -0.815 0.000 1.319 267 Q CA 1.492 56.787 55.803 -0.848 0.000 1.023 267 Q CB -1.374 26.695 28.738 -1.116 0.000 1.247 267 Q HN 1.302 nan 8.270 nan 0.000 0.411 268 G N -0.720 107.304 108.800 -1.293 0.000 2.213 268 G HA2 -0.257 3.704 3.960 0.000 0.000 0.226 268 G HA3 -0.257 3.704 3.960 0.000 0.000 0.226 268 G C 0.038 174.245 174.900 -1.156 0.000 0.992 268 G CA 0.087 44.212 45.100 -1.625 0.000 0.632 268 G HN 0.324 nan 8.290 nan 0.000 0.511 269 R N -0.819 118.907 120.500 -1.289 0.000 2.854 269 R HA 0.643 4.983 4.340 0.000 0.000 0.271 269 R C -1.151 174.413 176.300 -1.227 0.000 0.994 269 R CA -0.837 54.684 56.100 -0.966 0.000 0.945 269 R CB 1.336 31.258 30.300 -0.630 0.000 1.194 269 R HN 0.108 nan 8.270 nan 0.000 0.476 270 Y N 0.580 120.429 120.300 -0.752 0.000 2.352 270 Y HA 0.394 4.944 4.550 0.000 0.000 0.326 270 Y C -0.601 174.895 175.900 -0.673 0.000 1.166 270 Y CA -0.114 57.739 58.100 -0.412 0.000 1.182 270 Y CB 1.163 39.596 38.460 -0.046 0.000 1.216 270 Y HN 0.369 nan 8.280 nan 0.000 0.474 271 Y N 1.096 121.563 120.300 0.279 0.000 2.287 271 Y HA 0.118 4.668 4.550 0.000 0.000 0.321 271 Y C 0.403 176.383 175.900 0.132 0.000 1.173 271 Y CA -1.754 56.433 58.100 0.145 0.000 1.124 271 Y CB 1.009 39.511 38.460 0.069 0.000 1.201 271 Y HN 0.627 nan 8.280 nan 0.000 0.421 272 D N 0.847 121.393 120.400 0.243 0.000 2.286 272 D HA -0.188 4.452 4.640 0.000 0.000 0.195 272 D C 0.850 177.223 176.300 0.121 0.000 1.012 272 D CA 2.147 56.236 54.000 0.148 0.000 0.901 272 D CB 0.438 41.300 40.800 0.102 0.000 0.903 272 D HN 0.354 nan 8.370 nan 0.000 0.451 273 S N -2.931 112.844 115.700 0.124 0.000 2.661 273 S HA 0.283 4.753 4.470 0.000 0.000 0.268 273 S C 0.401 175.024 174.600 0.037 0.000 1.162 273 S CA -0.770 57.474 58.200 0.072 0.000 0.817 273 S CB 0.218 63.441 63.200 0.037 0.000 1.141 273 S HN -0.127 nan 8.310 nan 0.000 0.477 274 L N 2.291 123.514 121.223 -0.001 0.000 1.976 274 L HA 0.124 4.464 4.340 0.000 0.000 0.209 274 L C 3.072 179.903 176.870 -0.065 0.000 1.071 274 L CA 2.424 57.232 54.840 -0.054 0.000 0.746 274 L CB -1.059 40.959 42.059 -0.067 0.000 0.890 274 L HN 0.875 nan 8.230 nan 0.000 0.432 275 A N -1.088 121.710 122.820 -0.038 0.000 1.915 275 A HA -0.313 4.007 4.320 0.000 0.000 0.220 275 A C 2.317 179.875 177.584 -0.043 0.000 1.198 275 A CA 2.033 54.050 52.037 -0.034 0.000 0.647 275 A CB -0.645 nan 19.000 nan 0.000 0.825 275 A HN 0.474 nan 8.150 nan 0.000 0.456 276 Q N -1.377 118.404 119.800 -0.032 0.000 2.369 276 Q HA -0.027 4.313 4.340 0.000 0.000 0.206 276 Q C 1.789 177.720 176.000 -0.115 0.000 0.963 276 Q CA 0.954 56.736 55.803 -0.035 0.000 0.894 276 Q CB -0.014 28.738 28.738 0.023 0.000 0.965 276 Q HN 0.618 nan 8.270 nan 0.000 0.475 277 L N 0.157 121.277 121.223 -0.172 0.000 2.189 277 L HA 0.016 4.356 4.340 0.000 0.000 0.199 277 L C 2.145 178.879 176.870 -0.228 0.000 1.074 277 L CA 1.593 56.217 54.840 -0.361 0.000 0.783 277 L CB -0.550 41.278 42.059 -0.385 0.000 0.955 277 L HN -0.053 nan 8.230 nan 0.000 0.460 278 E N 0.428 120.543 120.200 -0.141 0.000 2.169 278 E HA -0.272 4.078 4.350 0.000 0.000 0.202 278 E C 1.935 178.529 176.600 -0.010 0.000 1.016 278 E CA 1.814 58.203 56.400 -0.018 0.000 0.817 278 E CB -0.453 29.228 29.700 -0.031 0.000 0.736 278 E HN 0.577 nan 8.360 nan 0.000 0.462 279 A N 0.604 123.384 122.820 -0.066 0.000 1.829 279 A HA -0.284 4.036 4.320 0.000 0.000 0.216 279 A C 2.129 179.657 177.584 -0.093 0.000 1.207 279 A CA 2.172 54.163 52.037 -0.078 0.000 0.622 279 A CB -0.973 17.987 19.000 -0.066 0.000 0.846 279 A HN 0.432 nan 8.150 nan 0.000 0.447 280 Q N -1.536 118.194 119.800 -0.117 0.000 2.248 280 Q HA -0.226 4.114 4.340 0.000 0.000 0.208 280 Q C 1.885 177.846 176.000 -0.065 0.000 0.984 280 Q CA 1.652 57.390 55.803 -0.109 0.000 0.875 280 Q CB -0.477 28.158 28.738 -0.171 0.000 0.910 280 Q HN 0.737 nan 8.270 nan 0.000 0.433 281 F N 2.223 122.040 119.950 -0.221 0.000 2.051 281 F HA -0.139 4.388 4.527 0.000 0.000 0.296 281 F C 1.794 177.506 175.800 -0.147 0.000 1.122 281 F CA 1.685 59.569 58.000 -0.192 0.000 1.201 281 F CB -0.321 38.542 39.000 -0.229 0.000 0.978 281 F HN -0.039 nan 8.300 nan 0.000 0.472 282 E N 0.070 119.958 120.200 -0.520 0.000 2.268 282 E HA -0.057 4.293 4.350 0.000 0.000 0.195 282 E C 2.038 178.423 176.600 -0.359 0.000 0.995 282 E CA 0.713 56.738 56.400 -0.625 0.000 0.836 282 E CB -0.334 29.136 29.700 -0.384 0.000 0.763 282 E HN 0.465 nan 8.360 nan 0.000 0.491 283 A N 0.765 123.451 122.820 -0.223 0.000 2.239 283 A HA 0.170 4.490 4.320 0.000 0.000 0.209 283 A C 1.432 178.936 177.584 -0.133 0.000 1.171 283 A CA 0.687 52.637 52.037 -0.145 0.000 0.768 283 A CB -0.576 18.369 19.000 -0.092 0.000 0.790 283 A HN 0.266 nan 8.150 nan 0.000 0.478 284 G N -1.378 107.313 108.800 -0.181 0.000 2.370 284 G HA2 -0.153 3.807 3.960 0.000 0.000 0.295 284 G HA3 -0.153 3.807 3.960 0.000 0.000 0.295 284 G C 0.217 175.093 174.900 -0.041 0.000 1.045 284 G CA 0.457 45.484 45.100 -0.121 0.000 1.199 284 G HN 0.970 nan 8.290 nan 0.000 0.513 285 L N -0.111 121.107 121.223 -0.008 0.000 2.803 285 L HA 0.417 4.757 4.340 0.000 0.000 0.246 285 L C 1.237 178.147 176.870 0.067 0.000 1.100 285 L CA 0.442 55.297 54.840 0.026 0.000 0.919 285 L CB 0.937 43.007 42.059 0.019 0.000 1.285 285 L HN 0.212 nan 8.230 nan 0.000 0.522 286 V N 2.794 122.772 119.914 0.107 0.000 2.338 286 V HA 0.153 4.273 4.120 0.000 0.000 0.255 286 V C 0.506 176.699 176.094 0.164 0.000 1.082 286 V CA -0.337 62.046 62.300 0.138 0.000 0.951 286 V CB -0.093 31.809 31.823 0.132 0.000 1.102 286 V HN 0.307 nan 8.190 nan 0.000 0.489 287 N N 5.018 123.789 118.700 0.119 0.000 2.394 287 N HA -0.019 4.721 4.740 0.000 0.000 0.288 287 N C -0.207 175.370 175.510 0.112 0.000 1.272 287 N CA -0.028 53.090 53.050 0.113 0.000 1.004 287 N CB 0.767 39.306 38.487 0.086 0.000 1.393 287 N HN 0.435 nan 8.380 nan 0.000 0.488 288 V N 3.937 123.939 119.914 0.145 0.000 2.397 288 V HA 0.119 4.239 4.120 0.000 0.000 0.262 288 V C 1.223 177.350 176.094 0.055 0.000 1.047 288 V CA -0.624 61.745 62.300 0.115 0.000 1.003 288 V CB 0.210 32.132 31.823 0.165 0.000 1.037 288 V HN 0.376 nan 8.190 nan 0.000 0.480 289 V N 6.656 126.551 119.914 -0.032 0.000 2.686 289 V HA 0.479 4.599 4.120 0.000 0.000 0.295 289 V C -0.056 175.953 176.094 -0.142 0.000 1.055 289 V CA -0.243 62.016 62.300 -0.070 0.000 1.050 289 V CB 0.880 32.676 31.823 -0.044 0.000 0.984 289 V HN 0.630 nan 8.190 nan 0.000 0.482 290 L N 5.708 126.874 121.223 -0.095 0.000 2.287 290 L HA 0.685 5.026 4.340 0.000 0.000 0.287 290 L C 0.241 177.141 176.870 0.051 0.000 1.022 290 L CA -0.709 54.094 54.840 -0.062 0.000 0.814 290 L CB 0.354 42.367 42.059 -0.075 0.000 1.217 290 L HN 0.771 nan 8.230 nan 0.000 0.420 291 I N 3.491 124.149 120.570 0.146 0.000 2.321 291 I HA 0.682 4.852 4.170 0.000 0.000 0.291 291 I C -2.070 174.416 176.117 0.615 0.000 0.998 291 I CA -2.187 59.337 61.300 0.373 0.000 1.227 291 I CB 0.799 38.979 38.000 0.300 0.000 1.368 291 I HN 0.442 nan 8.210 nan 0.000 0.466 292 P HA 0.263 nan 4.420 nan 0.000 0.271 292 P C 0.015 177.484 177.300 0.282 0.000 1.233 292 P CA 0.177 63.535 63.100 0.430 0.000 0.789 292 P CB 0.835 32.735 31.700 0.334 0.000 0.951 293 D N -0.657 119.582 120.400 -0.268 0.000 2.379 293 D HA 0.067 4.707 4.640 0.000 0.000 0.208 293 D C -0.096 175.857 176.300 -0.578 0.000 1.065 293 D CA 0.583 54.080 54.000 -0.839 0.000 0.848 293 D CB 0.022 39.966 40.800 -1.426 0.000 0.949 293 D HN 0.264 nan 8.370 nan 0.000 0.509 294 N N -1.497 116.712 118.700 -0.819 0.000 3.265 294 N HA 0.521 5.261 4.740 0.000 0.000 0.235 294 N C -0.649 173.751 175.510 -1.850 0.000 1.343 294 N CA 0.100 52.428 53.050 -1.204 0.000 0.904 294 N CB 1.140 39.231 38.487 -0.660 0.000 1.492 294 N HN 0.025 nan 8.380 nan 0.000 0.504 295 G N -0.581 107.110 108.800 -1.849 0.000 2.356 295 G HA2 0.491 4.451 3.960 0.000 0.000 0.281 295 G HA3 0.491 4.451 3.960 0.000 0.000 0.281 295 G C -1.736 172.690 174.900 -0.790 0.000 1.246 295 G CA 0.112 44.339 45.100 -1.455 0.000 0.889 295 G HN 1.162 nan 8.290 nan 0.000 0.486 296 T N -3.041 111.326 114.554 -0.310 0.000 2.868 296 T HA 0.924 5.275 4.350 0.000 0.000 0.306 296 T C 0.388 175.258 174.700 0.284 0.000 1.224 296 T CA 0.426 62.568 62.100 0.070 0.000 1.012 296 T CB 1.563 70.433 68.868 0.003 0.000 1.221 296 T HN 2.802 nan 8.240 nan 0.000 0.499 297 G N 0.131 109.080 108.800 0.247 0.000 2.466 297 G HA2 0.308 4.268 3.960 0.000 0.000 0.316 297 G HA3 0.308 4.268 3.960 0.000 0.000 0.316 297 G C 0.692 175.731 174.900 0.232 0.000 1.270 297 G CA -0.037 45.194 45.100 0.219 0.000 0.982 297 G HN 1.603 nan 8.290 nan 0.000 0.506 298 G N -0.573 108.324 108.800 0.160 0.000 2.443 298 G HA2 0.142 4.102 3.960 0.000 0.000 0.219 298 G HA3 0.142 4.102 3.960 0.000 0.000 0.219 298 G C 2.029 177.003 174.900 0.124 0.000 1.131 298 G CA 2.109 47.282 45.100 0.122 0.000 0.775 298 G HN 1.319 nan 8.290 nan 0.000 0.547 299 S N -0.252 115.501 115.700 0.088 0.000 2.419 299 S HA -0.107 4.363 4.470 0.000 0.000 0.235 299 S C 1.644 176.105 174.600 -0.232 0.000 1.019 299 S CA 1.222 59.346 58.200 -0.126 0.000 0.982 299 S CB -0.264 62.812 63.200 -0.207 0.000 0.789 299 S HN 0.728 nan 8.310 nan 0.000 0.490 300 W N 0.262 121.709 121.300 0.245 0.000 2.940 300 W HA 0.500 5.160 4.660 0.000 0.000 0.297 300 W C 0.882 177.505 176.519 0.172 0.000 1.149 300 W CA -0.286 57.189 57.345 0.216 0.000 1.564 300 W CB 0.269 29.793 29.460 0.107 0.000 1.010 300 W HN -0.004 nan 8.180 nan 0.000 0.578 301 S N -0.313 115.581 115.700 0.323 0.000 2.618 301 S HA 0.509 4.979 4.470 0.000 0.000 0.277 301 S C -0.130 174.585 174.600 0.192 0.000 1.138 301 S CA -0.571 57.772 58.200 0.238 0.000 0.844 301 S CB 1.023 64.338 63.200 0.192 0.000 1.127 301 S HN 0.003 nan 8.310 nan 0.000 0.474 302 L N 1.111 122.428 121.223 0.157 0.000 2.672 302 L HA 0.407 4.747 4.340 0.000 0.000 0.236 302 L C 0.793 177.702 176.870 0.065 0.000 1.092 302 L CA 0.073 54.973 54.840 0.099 0.000 0.887 302 L CB 0.135 42.257 42.059 0.106 0.000 1.168 302 L HN 0.533 nan 8.230 nan 0.000 0.502 303 K N 1.289 121.732 120.400 0.071 0.000 2.379 303 K HA 0.072 4.392 4.320 0.000 0.000 0.284 303 K C 0.222 176.846 176.600 0.041 0.000 1.044 303 K CA 0.022 56.337 56.287 0.046 0.000 0.974 303 K CB 0.966 33.492 32.500 0.044 0.000 0.962 303 K HN -0.117 nan 8.250 nan 0.000 0.474 304 S N 3.972 119.686 115.700 0.024 0.000 2.565 304 S HA 0.246 4.716 4.470 0.000 0.000 0.276 304 S C -1.372 173.239 174.600 0.018 0.000 1.326 304 S CA -1.425 56.787 58.200 0.019 0.000 1.045 304 S CB 0.758 63.962 63.200 0.007 0.000 0.918 304 S HN 0.645 nan 8.310 nan 0.000 0.505 305 P HA 0.178 nan 4.420 nan 0.000 0.249 305 P C -0.596 176.709 177.300 0.009 0.000 1.229 305 P CA 0.127 63.237 63.100 0.016 0.000 0.788 305 P CB 0.036 31.748 31.700 0.021 0.000 1.072 306 V N 3.542 123.459 119.914 0.006 0.000 2.448 306 V HA 0.326 4.446 4.120 0.000 0.000 0.295 306 V C -1.983 174.109 176.094 -0.003 0.000 1.025 306 V CA -1.760 60.541 62.300 0.001 0.000 0.859 306 V CB 1.799 33.622 31.823 0.001 0.000 0.988 306 V HN 0.055 nan 8.190 nan 0.000 0.431 307 P HA 0.370 nan 4.420 nan 0.000 0.274 307 P C -2.681 174.612 177.300 -0.012 0.000 1.231 307 P CA -1.446 61.649 63.100 -0.009 0.000 0.790 307 P CB -0.249 31.446 31.700 -0.008 0.000 0.951 308 P HA 0.114 nan 4.420 nan 0.000 0.261 308 P C 0.587 177.877 177.300 -0.016 0.000 1.173 308 P CA 0.482 63.571 63.100 -0.019 0.000 0.760 308 P CB 0.058 31.744 31.700 -0.025 0.000 0.783 309 G N 3.540 112.331 108.800 -0.015 0.000 2.606 309 G HA2 0.511 4.471 3.960 0.000 0.000 0.262 309 G HA3 0.511 4.471 3.960 0.000 0.000 0.262 309 G C -2.207 172.683 174.900 -0.016 0.000 1.394 309 G CA -0.864 44.228 45.100 -0.014 0.000 1.044 309 G HN 0.420 nan 8.290 nan 0.000 0.553 310 P HA 0.340 nan 4.420 nan 0.000 0.267 310 P C 0.014 177.304 177.300 -0.016 0.000 1.200 310 P CA -0.090 63.001 63.100 -0.015 0.000 0.772 310 P CB 0.518 32.211 31.700 -0.012 0.000 0.855 311 A N 4.925 127.734 122.820 -0.019 0.000 2.561 311 A HA 0.282 4.602 4.320 0.000 0.000 0.234 311 A C -1.235 176.342 177.584 -0.012 0.000 1.055 311 A CA -0.663 51.362 52.037 -0.020 0.000 0.756 311 A CB -1.346 17.638 19.000 -0.027 0.000 0.986 311 A HN 0.525 nan 8.150 nan 0.000 0.505 312 P HA 0.405 nan 4.420 nan 0.000 0.275 312 P C -2.591 174.713 177.300 0.006 0.000 1.266 312 P CA -1.214 61.885 63.100 -0.002 0.000 0.793 312 P CB -0.814 30.884 31.700 -0.002 0.000 1.074 313 P HA 0.175 nan 4.420 nan 0.000 0.267 313 P C -0.725 176.597 177.300 0.038 0.000 1.200 313 P CA 0.089 63.204 63.100 0.025 0.000 0.772 313 P CB 0.120 31.834 31.700 0.022 0.000 0.855 314 L N 1.820 123.078 121.223 0.060 0.000 2.408 314 L HA 0.469 4.809 4.340 0.000 0.000 0.268 314 L C -0.894 176.061 176.870 0.142 0.000 0.986 314 L CA -0.534 54.358 54.840 0.086 0.000 0.820 314 L CB 2.048 44.142 42.059 0.058 0.000 1.303 314 L HN 0.310 nan 8.230 nan 0.000 0.411 315 Q N 3.328 123.216 119.800 0.147 0.000 2.274 315 Q HA 0.700 5.040 4.340 0.000 0.000 0.260 315 Q C -1.668 174.475 176.000 0.239 0.000 0.974 315 Q CA -0.673 55.203 55.803 0.121 0.000 0.876 315 Q CB 2.001 30.756 28.738 0.028 0.000 1.297 315 Q HN 0.668 nan 8.270 nan 0.000 0.446 316 F N -0.214 119.739 119.950 0.005 0.000 2.662 316 F HA 0.496 5.023 4.527 0.000 0.000 0.312 316 F C -2.030 173.806 175.800 0.061 0.000 1.113 316 F CA -1.149 56.928 58.000 0.128 0.000 0.951 316 F CB 1.079 40.172 39.000 0.156 0.000 1.344 316 F HN 0.401 nan 8.300 nan 0.000 0.462 317 Y N 1.420 121.800 120.300 0.134 0.000 2.717 317 Y HA 0.373 4.923 4.550 0.000 0.000 0.329 317 Y C -2.002 173.965 175.900 0.113 0.000 1.017 317 Y CA -2.009 56.107 58.100 0.026 0.000 1.275 317 Y CB 0.784 39.319 38.460 0.125 0.000 1.109 317 Y HN 0.409 nan 8.280 nan 0.000 0.511 318 P HA -0.150 nan 4.420 nan 0.000 0.223 318 P C 0.012 177.447 177.300 0.224 0.000 1.144 318 P CA 1.466 64.721 63.100 0.258 0.000 0.783 318 P CB 0.287 32.018 31.700 0.051 0.000 0.771 319 Q N -0.712 119.190 119.800 0.170 0.000 2.144 319 Q HA 0.446 4.786 4.340 0.000 0.000 0.305 319 Q C 0.191 176.268 176.000 0.128 0.000 0.876 319 Q CA -0.241 55.642 55.803 0.133 0.000 1.130 319 Q CB 0.941 29.736 28.738 0.096 0.000 1.267 319 Q HN 0.108 nan 8.270 nan 0.000 0.433 320 G N 2.585 111.479 108.800 0.156 0.000 2.730 320 G HA2 -0.161 3.799 3.960 0.000 0.000 0.686 320 G HA3 -0.161 3.799 3.960 0.000 0.000 0.686 320 G C -2.870 172.090 174.900 0.100 0.000 1.343 320 G CA -1.101 44.053 45.100 0.091 0.000 0.826 320 G HN 0.111 nan 8.290 nan 0.000 0.582 321 P HA 0.334 nan 4.420 nan 0.000 0.272 321 P C 0.118 177.441 177.300 0.038 0.000 1.240 321 P CA -0.251 62.741 63.100 -0.180 0.000 0.791 321 P CB 0.550 31.883 31.700 -0.611 0.000 0.978 322 R N 0.551 121.203 120.500 0.254 0.000 2.613 322 R HA 0.341 4.681 4.340 0.000 0.000 0.361 322 R C -0.088 176.404 176.300 0.320 0.000 1.072 322 R CA -0.118 56.130 56.100 0.247 0.000 1.089 322 R CB -0.251 30.213 30.300 0.273 0.000 1.343 322 R HN 0.528 nan 8.270 nan 0.000 0.571 323 F N -1.464 118.506 119.950 0.033 0.000 2.685 323 F HA 0.707 5.234 4.527 0.000 0.000 0.315 323 F C -0.790 174.994 175.800 -0.027 0.000 1.126 323 F CA -1.324 56.680 58.000 0.007 0.000 0.950 323 F CB 1.317 40.329 39.000 0.019 0.000 1.360 323 F HN -0.156 nan 8.300 nan 0.000 0.469 324 S N 0.505 116.181 115.700 -0.041 0.000 2.548 324 S HA 0.841 5.311 4.470 0.000 0.000 0.286 324 S C -1.712 172.883 174.600 -0.009 0.000 1.098 324 S CA -0.735 57.376 58.200 -0.149 0.000 0.930 324 S CB 1.712 64.858 63.200 -0.090 0.000 1.070 324 S HN 0.841 nan 8.310 nan 0.000 0.480 325 V N 1.704 121.600 119.914 -0.029 0.000 2.350 325 V HA 0.804 4.924 4.120 0.000 0.000 0.285 325 V C 0.157 176.260 176.094 0.015 0.000 1.014 325 V CA -0.310 62.020 62.300 0.050 0.000 0.831 325 V CB 0.633 32.532 31.823 0.127 0.000 1.000 325 V HN 1.149 nan 8.190 nan 0.000 0.433 326 Q N 3.061 122.858 119.800 -0.005 0.000 2.456 326 Q HA 0.669 5.009 4.340 0.000 0.000 0.252 326 Q C 0.817 176.791 176.000 -0.044 0.000 1.042 326 Q CA 0.335 56.124 55.803 -0.022 0.000 0.766 326 Q CB 1.153 29.871 28.738 -0.033 0.000 1.196 326 Q HN 1.929 nan 8.270 nan 0.000 0.504 327 G N 1.103 109.885 108.800 -0.030 0.000 2.557 327 G HA2 -0.292 3.668 3.960 0.000 0.000 0.292 327 G HA3 -0.292 3.668 3.960 0.000 0.000 0.292 327 G C 1.529 176.303 174.900 -0.210 0.000 1.162 327 G CA 1.283 46.337 45.100 -0.076 0.000 0.964 327 G HN 2.142 nan 8.290 nan 0.000 0.541 328 S N 0.171 115.654 115.700 -0.363 0.000 2.575 328 S HA 0.476 4.946 4.470 0.000 0.000 0.215 328 S C 0.876 175.035 174.600 -0.733 0.000 0.966 328 S CA 1.112 58.811 58.200 -0.836 0.000 0.911 328 S CB 0.314 63.188 63.200 -0.544 0.000 0.780 328 S HN 0.783 nan 8.310 nan 0.000 0.514 329 R N 1.058 121.368 120.500 -0.317 0.000 2.387 329 R HA 0.662 5.002 4.340 0.000 0.000 0.314 329 R C -1.422 174.788 176.300 -0.150 0.000 0.958 329 R CA -0.391 55.588 56.100 -0.201 0.000 0.846 329 R CB 1.560 31.786 30.300 -0.124 0.000 1.147 329 R HN 0.174 nan 8.270 nan 0.000 0.447 330 V N 2.957 122.659 119.914 -0.353 0.000 2.581 330 V HA 0.880 5.000 4.120 0.000 0.000 0.303 330 V C -0.427 175.452 176.094 -0.358 0.000 1.041 330 V CA -0.660 61.401 62.300 -0.398 0.000 0.907 330 V CB 1.723 33.084 31.823 -0.771 0.000 0.994 330 V HN 0.926 nan 8.190 nan 0.000 0.442 331 A N 3.063 125.805 122.820 -0.130 0.000 2.486 331 A HA 0.953 5.273 4.320 0.000 0.000 0.300 331 A C -0.384 177.238 177.584 0.064 0.000 1.048 331 A CA -0.092 51.919 52.037 -0.043 0.000 0.696 331 A CB 2.078 21.059 19.000 -0.032 0.000 1.278 331 A HN 1.194 nan 8.150 nan 0.000 0.405 332 S N 0.114 115.866 115.700 0.086 0.000 2.705 332 S HA 0.616 5.086 4.470 0.000 0.000 0.280 332 S C 1.057 175.690 174.600 0.055 0.000 1.174 332 S CA 0.364 58.641 58.200 0.128 0.000 0.823 332 S CB 0.918 64.239 63.200 0.201 0.000 1.162 332 S HN 1.560 nan 8.310 nan 0.000 0.487 333 S N -0.298 115.433 115.700 0.052 0.000 2.381 333 S HA -0.139 4.332 4.470 0.000 0.000 0.230 333 S C 1.440 175.964 174.600 -0.127 0.000 1.052 333 S CA 2.142 60.331 58.200 -0.017 0.000 1.068 333 S CB -0.895 62.313 63.200 0.013 0.000 0.918 333 S HN 0.584 nan 8.310 nan 0.000 0.448 334 L N -2.402 118.723 121.223 -0.162 0.000 2.467 334 L HA 0.345 4.686 4.340 0.000 0.000 0.213 334 L C 0.235 176.742 176.870 -0.604 0.000 1.053 334 L CA -0.201 54.310 54.840 -0.548 0.000 0.847 334 L CB 0.058 41.761 42.059 -0.593 0.000 1.075 334 L HN 0.306 nan 8.230 nan 0.000 0.479 335 W N -0.606 120.663 121.300 -0.052 0.000 2.627 335 W HA 0.527 5.187 4.660 0.000 0.000 0.339 335 W C -0.275 176.252 176.519 0.012 0.000 1.058 335 W CA -0.403 56.962 57.345 0.035 0.000 1.223 335 W CB 1.926 31.408 29.460 0.037 0.000 1.389 335 W HN -0.405 nan 8.180 nan 0.000 0.541 336 T N 3.415 118.213 114.554 0.408 0.000 3.109 336 T HA 0.580 4.930 4.350 0.000 0.000 0.311 336 T C -1.508 173.378 174.700 0.309 0.000 1.011 336 T CA -0.510 61.701 62.100 0.184 0.000 1.026 336 T CB 0.380 69.314 68.868 0.109 0.000 1.047 336 T HN 0.276 nan 8.240 nan 0.000 0.448 337 F N 0.046 120.018 119.950 0.037 0.000 2.744 337 F HA 0.787 5.314 4.527 0.000 0.000 0.311 337 F C -0.743 175.095 175.800 0.063 0.000 1.144 337 F CA -1.126 56.897 58.000 0.039 0.000 0.938 337 F CB 0.981 39.974 39.000 -0.011 0.000 1.292 337 F HN 0.370 nan 8.300 nan 0.000 0.444 338 S N 1.714 117.541 115.700 0.212 0.000 2.489 338 S HA 0.810 5.280 4.470 0.000 0.000 0.291 338 S C -0.881 173.896 174.600 0.295 0.000 1.151 338 S CA -0.513 57.750 58.200 0.105 0.000 1.082 338 S CB 0.459 63.730 63.200 0.119 0.000 1.019 338 S HN 0.749 nan 8.310 nan 0.000 0.492 339 F N 1.836 121.867 119.950 0.135 0.000 2.639 339 F HA 1.032 5.560 4.527 0.000 0.000 0.339 339 F C 0.307 176.117 175.800 0.016 0.000 1.071 339 F CA -0.432 57.631 58.000 0.104 0.000 0.994 339 F CB 0.981 40.007 39.000 0.045 0.000 1.341 339 F HN 0.828 nan 8.300 nan 0.000 0.498 340 G N 0.048 109.018 108.800 0.282 0.000 2.320 340 G HA2 0.462 4.422 3.960 0.000 0.000 0.296 340 G HA3 0.462 4.422 3.960 0.000 0.000 0.296 340 G C -2.684 172.428 174.900 0.354 0.000 1.306 340 G CA -1.033 44.232 45.100 0.274 0.000 0.836 340 G HN 0.871 nan 8.290 nan 0.000 0.517 341 L N 0.739 122.137 121.223 0.292 0.000 2.439 341 L HA 0.614 4.954 4.340 0.000 0.000 0.270 341 L C 0.847 177.783 176.870 0.111 0.000 0.972 341 L CA -0.783 54.056 54.840 -0.002 0.000 0.836 341 L CB 2.094 43.756 42.059 -0.661 0.000 1.255 341 L HN 0.917 nan 8.230 nan 0.000 0.404 342 G N 1.325 110.154 108.800 0.048 0.000 2.442 342 G HA2 0.352 4.312 3.960 0.000 0.000 0.249 342 G HA3 0.352 4.312 3.960 0.000 0.000 0.249 342 G C 0.932 175.818 174.900 -0.024 0.000 1.263 342 G CA 0.318 45.464 45.100 0.076 0.000 0.846 342 G HN 0.877 nan 8.290 nan 0.000 0.555 343 A N 2.052 124.841 122.820 -0.052 0.000 1.908 343 A HA -0.007 4.313 4.320 0.000 0.000 0.218 343 A C 1.794 179.067 177.584 -0.518 0.000 1.181 343 A CA 1.671 53.506 52.037 -0.337 0.000 0.627 343 A CB -0.303 18.213 19.000 -0.806 0.000 0.818 343 A HN 0.599 nan 8.150 nan 0.000 0.445 344 F N -0.603 119.411 119.950 0.107 0.000 2.419 344 F HA 0.070 4.597 4.527 0.000 0.000 0.283 344 F C 2.802 178.597 175.800 -0.009 0.000 1.044 344 F CA 0.866 58.911 58.000 0.077 0.000 1.376 344 F CB -0.684 38.364 39.000 0.080 0.000 1.131 344 F HN 0.251 nan 8.300 nan 0.000 0.585 345 S N -0.291 115.485 115.700 0.127 0.000 2.428 345 S HA 0.349 4.819 4.470 0.000 0.000 0.230 345 S C 1.407 175.877 174.600 -0.217 0.000 1.014 345 S CA 0.707 58.886 58.200 -0.036 0.000 0.957 345 S CB -0.745 62.456 63.200 0.002 0.000 0.784 345 S HN 0.706 nan 8.310 nan 0.000 0.499 346 G N 1.013 109.685 108.800 -0.214 0.000 2.568 346 G HA2 -0.112 3.848 3.960 0.000 0.000 0.222 346 G HA3 -0.112 3.848 3.960 0.000 0.000 0.222 346 G C -3.111 171.591 174.900 -0.330 0.000 1.321 346 G CA -0.604 44.275 45.100 -0.368 0.000 0.893 346 G HN 0.468 nan 8.290 nan 0.000 0.569 347 P HA 0.382 nan 4.420 nan 0.000 0.267 347 P C -0.016 177.196 177.300 -0.146 0.000 1.200 347 P CA 0.573 63.552 63.100 -0.201 0.000 0.772 347 P CB 0.368 31.941 31.700 -0.212 0.000 0.855 348 R N 1.267 121.749 120.500 -0.029 0.000 2.663 348 R HA 0.757 5.097 4.340 0.000 0.000 0.267 348 R C -1.633 174.613 176.300 -0.090 0.000 1.038 348 R CA -0.924 55.103 56.100 -0.122 0.000 0.886 348 R CB 0.976 31.212 30.300 -0.106 0.000 1.249 348 R HN 0.234 nan 8.270 nan 0.000 0.463 349 I N 1.397 121.763 120.570 -0.340 0.000 2.730 349 I HA 0.577 4.748 4.170 0.000 0.000 0.298 349 I C -1.199 174.531 176.117 -0.644 0.000 1.089 349 I CA -0.852 60.323 61.300 -0.209 0.000 1.041 349 I CB 2.098 40.015 38.000 -0.139 0.000 1.235 349 I HN 0.490 nan 8.210 nan 0.000 0.423 350 F N 1.483 121.310 119.950 -0.205 0.000 2.613 350 F HA 0.334 4.861 4.527 0.000 0.000 0.314 350 F C 0.095 175.707 175.800 -0.313 0.000 1.075 350 F CA -0.852 56.827 58.000 -0.534 0.000 0.945 350 F CB 1.305 39.524 39.000 -1.301 0.000 1.310 350 F HN 0.482 nan 8.300 nan 0.000 0.467 351 D N 1.110 121.421 120.400 -0.148 0.000 2.697 351 D HA -0.149 4.491 4.640 0.000 0.000 0.235 351 D C -1.025 175.373 176.300 0.164 0.000 1.167 351 D CA 0.292 54.316 54.000 0.041 0.000 0.656 351 D CB -0.601 40.267 40.800 0.113 0.000 1.025 351 D HN 0.203 nan 8.370 nan 0.000 0.419 352 V N 1.891 121.910 119.914 0.176 0.000 2.508 352 V HA 0.310 4.430 4.120 0.000 0.000 0.281 352 V C 1.135 177.436 176.094 0.346 0.000 1.041 352 V CA 0.305 62.794 62.300 0.315 0.000 1.016 352 V CB 1.231 33.216 31.823 0.270 0.000 0.984 352 V HN 0.184 nan 8.190 nan 0.000 0.478 353 R N 4.096 124.843 120.500 0.412 0.000 2.451 353 R HA 0.425 4.765 4.340 0.000 0.000 0.307 353 R C -1.265 175.183 176.300 0.246 0.000 0.965 353 R CA -0.552 55.730 56.100 0.303 0.000 0.865 353 R CB 2.056 32.472 30.300 0.193 0.000 1.174 353 R HN 0.627 nan 8.270 nan 0.000 0.455 354 F N 2.832 122.781 119.950 -0.001 0.000 2.411 354 F HA 0.103 4.631 4.527 0.000 0.000 0.350 354 F C 0.611 176.353 175.800 -0.096 0.000 1.114 354 F CA 0.040 57.840 58.000 -0.332 0.000 1.135 354 F CB 0.972 39.760 39.000 -0.354 0.000 1.120 354 F HN 0.590 nan 8.300 nan 0.000 0.495 355 Q N 4.732 124.074 119.800 -0.764 0.000 2.406 355 Q HA -0.252 4.088 4.340 0.000 0.000 0.339 355 Q C 1.119 177.050 176.000 -0.114 0.000 1.337 355 Q CA 1.022 56.564 55.803 -0.435 0.000 0.985 355 Q CB -1.384 27.097 28.738 -0.428 0.000 1.216 355 Q HN 1.276 nan 8.270 nan 0.000 0.415 356 G N -0.386 108.377 108.800 -0.062 0.000 2.241 356 G HA2 -0.357 3.603 3.960 0.000 0.000 0.244 356 G HA3 -0.357 3.603 3.960 0.000 0.000 0.244 356 G C -0.072 174.879 174.900 0.085 0.000 0.998 356 G CA 0.299 45.407 45.100 0.014 0.000 0.621 356 G HN 0.497 nan 8.290 nan 0.000 0.519 357 E N 0.443 120.732 120.200 0.147 0.000 2.191 357 E HA 0.586 4.936 4.350 0.000 0.000 0.278 357 E C 0.425 177.168 176.600 0.238 0.000 0.972 357 E CA -1.029 55.497 56.400 0.210 0.000 0.804 357 E CB 0.690 30.565 29.700 0.292 0.000 1.110 357 E HN 0.333 nan 8.360 nan 0.000 0.394 358 R N 4.481 125.106 120.500 0.210 0.000 2.401 358 R HA 0.109 4.449 4.340 0.000 0.000 0.299 358 R C 0.434 176.833 176.300 0.165 0.000 1.064 358 R CA 0.131 56.348 56.100 0.196 0.000 1.000 358 R CB 0.412 30.824 30.300 0.186 0.000 0.973 358 R HN 0.707 nan 8.270 nan 0.000 0.438 359 L N 4.044 125.328 121.223 0.101 0.000 2.349 359 L HA 0.230 4.570 4.340 0.000 0.000 0.200 359 L C 0.451 177.277 176.870 -0.073 0.000 1.064 359 L CA 0.186 54.963 54.840 -0.105 0.000 0.821 359 L CB 0.304 42.210 42.059 -0.255 0.000 1.027 359 L HN 0.406 nan 8.230 nan 0.000 0.476 360 V N -1.955 117.962 119.914 0.005 0.000 2.656 360 V HA 0.197 4.317 4.120 0.000 0.000 0.307 360 V C 0.337 176.470 176.094 0.065 0.000 1.051 360 V CA -0.668 61.633 62.300 0.002 0.000 0.893 360 V CB 1.966 33.748 31.823 -0.069 0.000 0.999 360 V HN 0.289 nan 8.190 nan 0.000 0.426 361 Y N 4.629 124.918 120.300 -0.018 0.000 2.184 361 Y HA 0.316 4.866 4.550 0.000 0.000 0.290 361 Y C 1.025 176.892 175.900 -0.054 0.000 1.129 361 Y CA 1.793 59.905 58.100 0.019 0.000 1.144 361 Y CB 0.409 38.904 38.460 0.058 0.000 0.995 361 Y HN 0.772 nan 8.280 nan 0.000 0.513 362 E N 0.259 120.376 120.200 -0.138 0.000 2.304 362 E HA 0.405 4.755 4.350 0.000 0.000 0.277 362 E C -1.889 174.480 176.600 -0.385 0.000 0.898 362 E CA -0.586 55.525 56.400 -0.482 0.000 0.764 362 E CB 1.394 30.931 29.700 -0.272 0.000 1.216 362 E HN 0.204 nan 8.360 nan 0.000 0.419 363 I N 3.585 123.859 120.570 -0.494 0.000 2.468 363 I HA 0.277 4.447 4.170 0.000 0.000 0.284 363 I C -0.808 175.115 176.117 -0.323 0.000 1.038 363 I CA -0.548 60.562 61.300 -0.317 0.000 1.083 363 I CB 1.821 39.674 38.000 -0.244 0.000 1.223 363 I HN 0.469 nan 8.210 nan 0.000 0.443 364 S N 6.173 121.736 115.700 -0.228 0.000 2.547 364 S HA 0.614 5.084 4.470 0.000 0.000 0.281 364 S C -0.815 173.692 174.600 -0.154 0.000 1.118 364 S CA -0.846 57.233 58.200 -0.202 0.000 0.947 364 S CB 2.162 65.239 63.200 -0.205 0.000 1.053 364 S HN 0.466 nan 8.310 nan 0.000 0.482 365 L N 2.478 123.543 121.223 -0.262 0.000 2.490 365 L HA 0.326 4.666 4.340 0.000 0.000 0.274 365 L C 1.005 177.572 176.870 -0.505 0.000 1.201 365 L CA 0.944 55.413 54.840 -0.618 0.000 0.869 365 L CB 0.165 41.675 42.059 -0.916 0.000 1.123 365 L HN 0.879 nan 8.230 nan 0.000 0.484 366 Q N 2.018 121.462 119.800 -0.594 0.000 2.511 366 Q HA 0.261 4.601 4.340 0.000 0.000 0.236 366 Q C -0.217 175.546 176.000 -0.395 0.000 0.893 366 Q CA 0.308 55.891 55.803 -0.367 0.000 0.947 366 Q CB 0.963 29.537 28.738 -0.272 0.000 1.110 366 Q HN 0.743 nan 8.270 nan 0.000 0.591 367 E N -1.109 118.736 120.200 -0.592 0.000 2.396 367 E HA 0.644 4.994 4.350 0.000 0.000 0.280 367 E C -2.048 174.264 176.600 -0.480 0.000 1.065 367 E CA -0.343 55.789 56.400 -0.446 0.000 0.831 367 E CB 1.625 31.087 29.700 -0.397 0.000 1.272 367 E HN 0.081 nan 8.360 nan 0.000 0.443 368 A N 1.771 124.469 122.820 -0.203 0.000 2.454 368 A HA 0.873 5.193 4.320 0.000 0.000 0.302 368 A C -1.840 175.810 177.584 0.110 0.000 1.079 368 A CA -0.603 51.358 52.037 -0.127 0.000 0.731 368 A CB 1.288 20.091 19.000 -0.330 0.000 1.299 368 A HN 0.498 nan 8.150 nan 0.000 0.413 369 L N 0.949 122.268 121.223 0.160 0.000 2.464 369 L HA 0.832 5.172 4.340 0.000 0.000 0.266 369 L C -0.539 176.346 176.870 0.026 0.000 0.965 369 L CA -0.047 54.831 54.840 0.062 0.000 0.833 369 L CB 1.922 43.944 42.059 -0.063 0.000 1.296 369 L HN 1.253 nan 8.230 nan 0.000 0.405 370 A N 6.264 129.079 122.820 -0.008 0.000 2.375 370 A HA 0.775 5.095 4.320 0.000 0.000 0.291 370 A C -1.143 176.349 177.584 -0.154 0.000 1.160 370 A CA -0.301 51.671 52.037 -0.108 0.000 0.747 370 A CB 0.522 19.545 19.000 0.039 0.000 1.170 370 A HN 0.608 nan 8.150 nan 0.000 0.458 371 I N 2.535 122.934 120.570 -0.285 0.000 2.354 371 I HA 0.405 4.575 4.170 0.000 0.000 0.292 371 I C -0.931 175.048 176.117 -0.231 0.000 0.989 371 I CA -0.492 60.680 61.300 -0.215 0.000 1.188 371 I CB 1.308 39.173 38.000 -0.224 0.000 1.342 371 I HN 0.659 nan 8.210 nan 0.000 0.457 372 Y N 3.293 123.523 120.300 -0.118 0.000 2.528 372 Y HA 0.752 5.302 4.550 0.000 0.000 0.335 372 Y C 0.677 176.532 175.900 -0.075 0.000 1.093 372 Y CA -0.501 57.550 58.100 -0.081 0.000 1.134 372 Y CB 2.273 40.648 38.460 -0.141 0.000 1.253 372 Y HN 0.534 nan 8.280 nan 0.000 0.478 373 G N -0.608 108.278 108.800 0.143 0.000 2.574 373 G HA2 0.662 4.622 3.960 0.000 0.000 0.299 373 G HA3 0.662 4.622 3.960 0.000 0.000 0.299 373 G C -1.071 173.844 174.900 0.026 0.000 1.298 373 G CA -0.527 44.619 45.100 0.076 0.000 0.952 373 G HN 0.921 nan 8.290 nan 0.000 0.477 374 G N -0.350 108.339 108.800 -0.184 0.000 2.451 374 G HA2 0.428 4.388 3.960 0.000 0.000 0.292 374 G HA3 0.428 4.388 3.960 0.000 0.000 0.292 374 G C 0.326 174.723 174.900 -0.838 0.000 1.427 374 G CA 0.120 45.001 45.100 -0.366 0.000 0.792 374 G HN 0.811 nan 8.290 nan 0.000 0.498 375 N N -0.886 117.428 118.700 -0.644 0.000 2.331 375 N HA 0.009 4.750 4.740 0.000 0.000 0.180 375 N C 1.084 176.374 175.510 -0.366 0.000 1.019 375 N CA 1.302 53.983 53.050 -0.614 0.000 0.881 375 N CB -0.106 37.943 38.487 -0.730 0.000 0.972 375 N HN 0.774 nan 8.380 nan 0.000 0.435 376 S N -1.455 113.969 115.700 -0.459 0.000 2.715 376 S HA 0.584 5.054 4.470 0.000 0.000 0.307 376 S C -2.263 171.861 174.600 -0.794 0.000 1.119 376 S CA -1.382 56.380 58.200 -0.729 0.000 0.937 376 S CB 2.368 65.248 63.200 -0.533 0.000 1.150 376 S HN -0.207 nan 8.310 nan 0.000 0.521 377 P HA 0.130 nan 4.420 nan 0.000 0.218 377 P C 1.518 178.279 177.300 -0.898 0.000 1.152 377 P CA 1.564 64.022 63.100 -1.070 0.000 0.826 377 P CB -0.235 30.331 31.700 -1.889 0.000 0.790 378 A N 0.667 123.024 122.820 -0.771 0.000 1.834 378 A HA -0.153 4.167 4.320 0.000 0.000 0.216 378 A C 2.374 179.747 177.584 -0.352 0.000 1.203 378 A CA 2.528 54.329 52.037 -0.394 0.000 0.621 378 A CB -1.742 17.149 19.000 -0.183 0.000 0.841 378 A HN 0.164 nan 8.150 nan 0.000 0.446 379 A N 0.390 122.990 122.820 -0.366 0.000 1.884 379 A HA -0.263 4.057 4.320 0.000 0.000 0.219 379 A C 2.351 179.795 177.584 -0.234 0.000 1.197 379 A CA 2.788 54.633 52.037 -0.320 0.000 0.637 379 A CB -0.825 18.003 19.000 -0.286 0.000 0.827 379 A HN 0.978 nan 8.150 nan 0.000 0.450 380 M N -0.435 118.994 119.600 -0.285 0.000 2.630 380 M HA -0.011 4.469 4.480 0.000 0.000 0.254 380 M C 1.169 177.388 176.300 -0.136 0.000 1.092 380 M CA 1.988 57.161 55.300 -0.211 0.000 1.087 380 M CB -0.527 31.905 32.600 -0.280 0.000 1.453 380 M HN 0.420 nan 8.290 nan 0.000 0.509 381 T N -3.725 110.739 114.554 -0.150 0.000 3.043 381 T HA 0.213 4.563 4.350 0.000 0.000 0.272 381 T C 0.372 175.025 174.700 -0.079 0.000 0.990 381 T CA -0.290 61.769 62.100 -0.067 0.000 0.897 381 T CB -0.199 68.662 68.868 -0.011 0.000 1.111 381 T HN 0.224 nan 8.240 nan 0.000 0.529 382 T N 3.617 118.077 114.554 -0.157 0.000 2.834 382 T HA 0.471 4.822 4.350 0.000 0.000 0.298 382 T C -0.246 174.325 174.700 -0.215 0.000 0.966 382 T CA -0.123 61.804 62.100 -0.288 0.000 1.141 382 T CB 0.400 68.972 68.868 -0.494 0.000 0.905 382 T HN 0.207 nan 8.240 nan 0.000 0.535 383 R N 2.621 122.959 120.500 -0.269 0.000 2.576 383 R HA 0.276 4.616 4.340 0.000 0.000 0.283 383 R C -1.456 174.733 176.300 -0.184 0.000 1.493 383 R CA -0.532 55.442 56.100 -0.211 0.000 1.170 383 R CB 0.446 30.657 30.300 -0.149 0.000 1.189 383 R HN 0.536 nan 8.270 nan 0.000 0.542 384 Y N 1.244 121.545 120.300 0.001 0.000 2.436 384 Y HA 0.169 4.719 4.550 0.000 0.000 0.336 384 Y C 0.718 176.623 175.900 0.009 0.000 1.049 384 Y CA -0.564 57.564 58.100 0.045 0.000 1.294 384 Y CB 1.044 39.515 38.460 0.017 0.000 1.179 384 Y HN 0.164 nan 8.280 nan 0.000 0.520 385 V N 4.892 124.961 119.914 0.258 0.000 2.217 385 V HA 0.057 4.177 4.120 0.000 0.000 0.264 385 V C 0.714 176.976 176.094 0.280 0.000 1.107 385 V CA -0.615 61.808 62.300 0.205 0.000 0.913 385 V CB 0.477 32.421 31.823 0.201 0.000 1.153 385 V HN 0.834 nan 8.190 nan 0.000 0.469 386 D N 4.015 124.553 120.400 0.231 0.000 2.190 386 D HA -0.169 4.471 4.640 0.000 0.000 0.200 386 D C 2.140 178.594 176.300 0.256 0.000 0.992 386 D CA 1.782 55.906 54.000 0.207 0.000 0.854 386 D CB 0.198 41.063 40.800 0.109 0.000 0.936 386 D HN 0.669 nan 8.370 nan 0.000 0.462 387 G N 0.780 109.688 108.800 0.181 0.000 2.475 387 G HA2 -0.244 3.717 3.960 0.000 0.000 0.220 387 G HA3 -0.244 3.717 3.960 0.000 0.000 0.220 387 G C 1.686 176.720 174.900 0.224 0.000 1.125 387 G CA 1.066 46.275 45.100 0.183 0.000 0.755 387 G HN 0.391 nan 8.290 nan 0.000 0.565 388 G N -0.395 108.520 108.800 0.192 0.000 2.498 388 G HA2 -0.010 3.950 3.960 0.000 0.000 0.219 388 G HA3 -0.010 3.950 3.960 0.000 0.000 0.219 388 G C 1.377 176.329 174.900 0.088 0.000 1.119 388 G CA 0.618 45.758 45.100 0.068 0.000 0.766 388 G HN 0.403 nan 8.290 nan 0.000 0.552 389 F N 0.188 120.260 119.950 0.203 0.000 2.315 389 F HA 0.422 4.949 4.527 0.000 0.000 0.284 389 F C 1.523 177.603 175.800 0.468 0.000 1.049 389 F CA 0.863 59.028 58.000 0.274 0.000 1.323 389 F CB 0.181 39.140 39.000 -0.068 0.000 1.113 389 F HN 0.256 nan 8.300 nan 0.000 0.544 390 G N 0.130 109.265 108.800 0.558 0.000 3.084 390 G HA2 -0.042 3.918 3.960 0.000 0.000 0.543 390 G HA3 -0.042 3.918 3.960 0.000 0.000 0.543 390 G C -0.059 175.020 174.900 0.299 0.000 1.239 390 G CA -0.611 44.794 45.100 0.508 0.000 1.190 390 G HN -0.002 nan 8.290 nan 0.000 0.549 391 M N 1.987 121.666 119.600 0.131 0.000 2.175 391 M HA 0.109 4.589 4.480 0.000 0.000 0.264 391 M C 2.566 178.840 176.300 -0.043 0.000 1.063 391 M CA 2.911 58.241 55.300 0.050 0.000 1.119 391 M CB -0.352 32.173 32.600 -0.124 0.000 1.377 391 M HN 0.800 nan 8.290 nan 0.000 0.415 392 G N -0.762 107.932 108.800 -0.177 0.000 2.404 392 G HA2 -0.216 3.744 3.960 0.000 0.000 0.214 392 G HA3 -0.216 3.744 3.960 0.000 0.000 0.214 392 G C 1.560 176.278 174.900 -0.303 0.000 1.189 392 G CA 0.818 45.641 45.100 -0.462 0.000 0.789 392 G HN 0.439 nan 8.290 nan 0.000 0.533 393 K N -0.625 119.743 120.400 -0.054 0.000 2.127 393 K HA -0.157 4.163 4.320 0.000 0.000 0.208 393 K C 1.036 177.561 176.600 -0.126 0.000 1.047 393 K CA 1.175 57.426 56.287 -0.061 0.000 0.927 393 K CB -0.241 32.298 32.500 0.066 0.000 0.716 393 K HN 0.430 nan 8.250 nan 0.000 0.450 394 Y N 0.772 121.040 120.300 -0.053 0.000 2.708 394 Y HA 0.176 4.727 4.550 0.000 0.000 0.287 394 Y C -0.096 175.774 175.900 -0.050 0.000 1.145 394 Y CA -0.276 57.814 58.100 -0.017 0.000 1.249 394 Y CB 0.401 38.897 38.460 0.060 0.000 1.152 394 Y HN -0.166 nan 8.280 nan 0.000 0.532 395 T N 1.317 115.844 114.554 -0.044 0.000 2.916 395 T HA 0.210 4.560 4.350 0.000 0.000 0.303 395 T C 0.663 175.324 174.700 -0.065 0.000 1.025 395 T CA 0.077 62.116 62.100 -0.103 0.000 1.142 395 T CB 0.505 69.172 68.868 -0.336 0.000 0.947 395 T HN 0.335 nan 8.240 nan 0.000 0.544 396 T N 1.849 116.384 114.554 -0.033 0.000 2.952 396 T HA 0.598 4.948 4.350 0.000 0.000 0.286 396 T C -2.890 171.770 174.700 -0.067 0.000 1.024 396 T CA -2.467 59.611 62.100 -0.035 0.000 1.029 396 T CB 1.159 70.029 68.868 0.004 0.000 1.094 396 T HN 0.155 nan 8.240 nan 0.000 0.515 397 P HA 0.299 nan 4.420 nan 0.000 0.271 397 P C -0.748 176.516 177.300 -0.060 0.000 1.218 397 P CA -0.482 62.540 63.100 -0.131 0.000 0.780 397 P CB 0.317 31.832 31.700 -0.307 0.000 0.901 398 L N 2.266 123.482 121.223 -0.012 0.000 2.265 398 L HA 0.246 4.586 4.340 0.000 0.000 0.288 398 L C 0.574 177.451 176.870 0.012 0.000 1.058 398 L CA -0.280 54.601 54.840 0.068 0.000 0.809 398 L CB 0.404 42.593 42.059 0.218 0.000 1.179 398 L HN 0.264 nan 8.230 nan 0.000 0.429 399 T N 3.933 118.529 114.554 0.070 0.000 2.738 399 T HA 0.157 4.507 4.350 0.000 0.000 0.293 399 T C 0.508 175.235 174.700 0.045 0.000 0.913 399 T CA -0.372 61.793 62.100 0.109 0.000 1.103 399 T CB -0.120 68.841 68.868 0.155 0.000 0.880 399 T HN 0.423 nan 8.240 nan 0.000 0.526 400 R N 2.385 122.810 120.500 -0.124 0.000 2.486 400 R HA 0.280 4.620 4.340 0.000 0.000 0.303 400 R C 1.578 177.896 176.300 0.031 0.000 0.958 400 R CA 0.925 56.887 56.100 -0.230 0.000 1.077 400 R CB -0.156 29.756 30.300 -0.647 0.000 0.921 400 R HN 1.010 nan 8.270 nan 0.000 0.406 401 G N 1.204 110.065 108.800 0.103 0.000 2.176 401 G HA2 -0.275 3.685 3.960 0.000 0.000 0.253 401 G HA3 -0.275 3.685 3.960 0.000 0.000 0.253 401 G C 0.468 175.420 174.900 0.087 0.000 0.979 401 G CA 0.215 45.417 45.100 0.170 0.000 0.641 401 G HN 0.462 nan 8.290 nan 0.000 0.530 402 V N -0.203 119.747 119.914 0.060 0.000 2.950 402 V HA 0.172 4.292 4.120 0.000 0.000 0.231 402 V C 2.138 178.232 176.094 -0.000 0.000 1.205 402 V CA 1.577 63.889 62.300 0.020 0.000 1.239 402 V CB -0.159 31.674 31.823 0.017 0.000 1.050 402 V HN 0.148 nan 8.190 nan 0.000 0.498 403 D N -0.169 120.247 120.400 0.026 0.000 2.149 403 D HA 0.014 4.654 4.640 0.000 0.000 0.201 403 D C 0.605 176.903 176.300 -0.003 0.000 0.972 403 D CA 1.071 55.082 54.000 0.018 0.000 0.835 403 D CB 0.102 40.938 40.800 0.060 0.000 0.966 403 D HN 0.427 nan 8.370 nan 0.000 0.476 404 c N -0.727 117.874 118.600 0.001 0.000 3.213 404 c HA 0.476 5.046 4.570 0.000 0.000 0.319 404 c C -2.464 171.507 174.090 -0.198 0.000 1.386 404 c CA -1.701 54.491 56.329 -0.228 0.000 1.494 404 c CB 1.595 43.925 42.510 -0.300 0.000 1.905 404 c HN 0.009 nan 8.230 nan 0.000 0.456 405 P HA 0.090 nan 4.420 nan 0.000 0.268 405 P C 0.125 177.489 177.300 0.107 0.000 1.205 405 P CA 0.213 63.223 63.100 -0.151 0.000 0.771 405 P CB 0.247 31.803 31.700 -0.239 0.000 0.858 406 Y N 2.667 123.032 120.300 0.108 0.000 2.096 406 Y HA -0.222 4.329 4.550 0.000 0.000 0.278 406 Y C 1.588 177.649 175.900 0.269 0.000 1.192 406 Y CA 1.671 59.887 58.100 0.193 0.000 1.143 406 Y CB -0.307 38.242 38.460 0.148 0.000 0.963 406 Y HN 0.226 nan 8.280 nan 0.000 0.505 407 L N 0.418 121.931 121.223 0.483 0.000 2.645 407 L HA 0.188 4.528 4.340 0.000 0.000 0.234 407 L C 1.029 178.110 176.870 0.351 0.000 1.165 407 L CA -0.276 54.828 54.840 0.440 0.000 0.944 407 L CB -0.771 41.583 42.059 0.491 0.000 1.149 407 L HN 0.194 nan 8.230 nan 0.000 0.446 408 A N -0.398 122.554 122.820 0.219 0.000 2.386 408 A HA 0.250 4.570 4.320 0.000 0.000 0.246 408 A C 0.400 177.967 177.584 -0.027 0.000 1.089 408 A CA 0.091 52.146 52.037 0.031 0.000 0.790 408 A CB 0.124 18.861 19.000 -0.437 0.000 1.042 408 A HN 0.153 nan 8.150 nan 0.000 0.497 409 T N 1.840 116.403 114.554 0.015 0.000 2.727 409 T HA 0.450 4.800 4.350 0.000 0.000 0.298 409 T C -0.851 173.777 174.700 -0.120 0.000 0.942 409 T CA 0.606 62.725 62.100 0.032 0.000 0.997 409 T CB -0.443 68.502 68.868 0.130 0.000 0.917 409 T HN 0.361 nan 8.240 nan 0.000 0.487 410 Y N 1.862 122.217 120.300 0.091 0.000 2.320 410 Y HA 0.607 5.157 4.550 0.000 0.000 0.324 410 Y C 0.313 176.285 175.900 0.121 0.000 1.190 410 Y CA -0.853 57.300 58.100 0.089 0.000 1.215 410 Y CB 1.155 39.626 38.460 0.018 0.000 1.221 410 Y HN 0.242 nan 8.280 nan 0.000 0.486 411 V N 2.419 122.525 119.914 0.321 0.000 2.808 411 V HA 0.243 4.363 4.120 0.000 0.000 0.308 411 V C -1.020 175.317 176.094 0.406 0.000 1.099 411 V CA -1.171 61.334 62.300 0.340 0.000 0.920 411 V CB 2.088 34.137 31.823 0.377 0.000 1.014 411 V HN 0.663 nan 8.190 nan 0.000 0.425 412 D N 1.646 122.226 120.400 0.300 0.000 2.283 412 D HA 0.365 5.005 4.640 0.000 0.000 0.248 412 D C -0.891 175.576 176.300 0.278 0.000 1.072 412 D CA -0.024 54.120 54.000 0.240 0.000 0.929 412 D CB 1.672 42.584 40.800 0.186 0.000 1.182 412 D HN 0.535 nan 8.370 nan 0.000 0.433 413 W N 2.198 123.513 121.300 0.026 0.000 2.632 413 W HA 0.263 4.923 4.660 0.000 0.000 0.328 413 W C -0.810 175.756 176.519 0.077 0.000 1.044 413 W CA -0.462 56.895 57.345 0.020 0.000 1.225 413 W CB 0.754 30.220 29.460 0.009 0.000 1.396 413 W HN 0.260 nan 8.180 nan 0.000 0.499 414 H N 6.409 125.326 119.070 -0.255 0.000 2.457 414 H HA 0.553 5.109 4.556 0.000 0.000 0.335 414 H C -0.600 174.275 175.328 -0.755 0.000 1.115 414 H CA -0.791 55.034 56.048 -0.372 0.000 1.219 414 H CB 0.998 30.623 29.762 -0.228 0.000 1.471 414 H HN 0.422 nan 8.280 nan 0.000 0.491 415 F N 0.760 120.308 119.950 -0.671 0.000 2.662 415 F HA 0.543 5.070 4.527 0.000 0.000 0.312 415 F C -1.848 173.732 175.800 -0.367 0.000 1.113 415 F CA -1.377 56.191 58.000 -0.721 0.000 0.951 415 F CB 1.528 39.874 39.000 -1.089 0.000 1.344 415 F HN 0.274 nan 8.300 nan 0.000 0.462 416 L N 3.796 124.880 121.223 -0.231 0.000 2.427 416 L HA 0.707 5.047 4.340 0.000 0.000 0.264 416 L C -1.998 174.828 176.870 -0.073 0.000 0.989 416 L CA -0.653 54.055 54.840 -0.220 0.000 0.865 416 L CB 1.218 43.174 42.059 -0.171 0.000 1.209 416 L HN 0.742 nan 8.230 nan 0.000 0.430 417 L N 4.368 125.589 121.223 -0.003 0.000 2.470 417 L HA 0.483 4.823 4.340 0.000 0.000 0.268 417 L C 0.204 177.032 176.870 -0.070 0.000 0.964 417 L CA -0.744 54.060 54.840 -0.060 0.000 0.839 417 L CB 2.081 44.146 42.059 0.010 0.000 1.276 417 L HN 0.555 nan 8.230 nan 0.000 0.403 418 E N 1.209 121.310 120.200 -0.166 0.000 2.360 418 E HA -0.231 4.119 4.350 0.000 0.000 0.238 418 E C -0.298 176.316 176.600 0.024 0.000 1.186 418 E CA 0.966 57.353 56.400 -0.020 0.000 0.719 418 E CB -0.684 29.071 29.700 0.092 0.000 1.236 418 E HN 0.724 nan 8.360 nan 0.000 0.386 419 S N -3.852 111.835 115.700 -0.021 0.000 2.661 419 S HA 0.624 5.094 4.470 0.000 0.000 0.268 419 S C 0.366 174.942 174.600 -0.040 0.000 1.162 419 S CA -0.081 58.106 58.200 -0.020 0.000 0.817 419 S CB 1.686 64.853 63.200 -0.055 0.000 1.141 419 S HN 0.151 nan 8.310 nan 0.000 0.477 420 Q N -0.543 119.234 119.800 -0.038 0.000 2.402 420 Q HA 0.762 5.103 4.340 0.000 0.000 0.231 420 Q C 0.912 176.872 176.000 -0.065 0.000 0.888 420 Q CA 0.780 56.561 55.803 -0.036 0.000 0.938 420 Q CB -0.136 28.595 28.738 -0.011 0.000 1.086 420 Q HN 1.732 nan 8.270 nan 0.000 0.543 421 A N 1.844 124.608 122.820 -0.093 0.000 2.324 421 A HA 0.723 5.043 4.320 0.000 0.000 0.330 421 A C -2.673 174.784 177.584 -0.212 0.000 1.165 421 A CA -1.888 50.072 52.037 -0.129 0.000 0.813 421 A CB 1.014 19.946 19.000 -0.113 0.000 1.197 421 A HN 0.230 nan 8.150 nan 0.000 0.484 422 P HA 0.299 nan 4.420 nan 0.000 0.271 422 P C -0.738 176.283 177.300 -0.464 0.000 1.218 422 P CA 0.111 62.981 63.100 -0.383 0.000 0.780 422 P CB 0.846 32.360 31.700 -0.310 0.000 0.901 423 K N 0.396 120.324 120.400 -0.786 0.000 2.279 423 K HA 0.720 5.041 4.320 0.000 0.000 0.238 423 K C -0.329 175.944 176.600 -0.544 0.000 1.084 423 K CA -0.695 55.183 56.287 -0.683 0.000 0.885 423 K CB 1.145 33.195 32.500 -0.751 0.000 1.319 423 K HN 0.254 nan 8.250 nan 0.000 0.494 424 T N 1.020 115.495 114.554 -0.132 0.000 2.886 424 T HA 0.434 4.784 4.350 0.000 0.000 0.292 424 T C -1.015 173.876 174.700 0.319 0.000 1.012 424 T CA -0.688 61.520 62.100 0.180 0.000 0.982 424 T CB 0.720 69.694 68.868 0.176 0.000 1.018 424 T HN 0.260 nan 8.240 nan 0.000 0.451 425 I N 3.554 124.370 120.570 0.409 0.000 2.297 425 I HA 0.345 4.515 4.170 0.000 0.000 0.291 425 I C 0.790 177.005 176.117 0.163 0.000 1.033 425 I CA -0.517 60.935 61.300 0.253 0.000 1.253 425 I CB 0.714 38.854 38.000 0.234 0.000 1.396 425 I HN 0.428 nan 8.210 nan 0.000 0.476 426 R N 5.493 126.030 120.500 0.062 0.000 2.438 426 R HA 0.127 4.467 4.340 0.000 0.000 0.287 426 R C -0.341 175.949 176.300 -0.018 0.000 1.077 426 R CA -0.402 55.712 56.100 0.024 0.000 1.034 426 R CB 0.524 30.797 30.300 -0.045 0.000 0.993 426 R HN 0.535 nan 8.270 nan 0.000 0.459 427 D N 1.325 121.756 120.400 0.052 0.000 2.699 427 D HA -0.209 4.431 4.640 0.000 0.000 0.239 427 D C 0.771 177.113 176.300 0.069 0.000 1.136 427 D CA 1.145 55.207 54.000 0.103 0.000 0.668 427 D CB -1.138 39.648 40.800 -0.022 0.000 1.060 427 D HN 0.744 nan 8.370 nan 0.000 0.429 428 A N -0.916 121.918 122.820 0.023 0.000 1.898 428 A HA 0.089 4.409 4.320 0.000 0.000 0.216 428 A C 0.823 178.190 177.584 -0.362 0.000 1.181 428 A CA 0.932 52.828 52.037 -0.235 0.000 0.620 428 A CB 0.012 18.776 19.000 -0.393 0.000 0.819 428 A HN 0.253 nan 8.150 nan 0.000 0.442 429 F N -1.480 118.517 119.950 0.079 0.000 2.483 429 F HA 0.538 5.065 4.527 0.000 0.000 0.329 429 F C 0.453 176.252 175.800 -0.002 0.000 1.064 429 F CA -0.951 57.055 58.000 0.010 0.000 0.986 429 F CB 1.368 40.328 39.000 -0.068 0.000 1.218 429 F HN 0.316 nan 8.300 nan 0.000 0.484 430 c N 0.456 119.137 118.600 0.134 0.000 2.712 430 c HA 0.976 5.546 4.570 0.000 0.000 0.308 430 c C -1.148 172.949 174.090 0.011 0.000 1.201 430 c CA -0.949 55.328 56.329 -0.086 0.000 1.554 430 c CB 1.000 43.316 42.510 -0.323 0.000 2.117 430 c HN 0.675 nan 8.230 nan 0.000 0.480 431 V N 3.119 123.045 119.914 0.020 0.000 2.760 431 V HA 0.902 5.022 4.120 0.000 0.000 0.309 431 V C -0.502 175.708 176.094 0.192 0.000 1.077 431 V CA -0.159 62.150 62.300 0.014 0.000 0.910 431 V CB 1.474 33.273 31.823 -0.041 0.000 1.008 431 V HN 1.146 nan 8.190 nan 0.000 0.424 432 F N 0.805 120.602 119.950 -0.256 0.000 2.770 432 F HA 0.679 5.206 4.527 0.000 0.000 0.313 432 F C -0.961 174.700 175.800 -0.232 0.000 1.154 432 F CA -0.991 56.925 58.000 -0.139 0.000 0.923 432 F CB 1.382 40.413 39.000 0.052 0.000 1.301 432 F HN 0.377 nan 8.300 nan 0.000 0.449 433 E N 1.185 121.446 120.200 0.102 0.000 2.191 433 E HA 0.408 4.758 4.350 0.000 0.000 0.278 433 E C -1.453 175.213 176.600 0.110 0.000 0.972 433 E CA -0.979 55.416 56.400 -0.009 0.000 0.804 433 E CB 2.042 31.822 29.700 0.134 0.000 1.110 433 E HN 0.549 nan 8.360 nan 0.000 0.394 434 Q N 2.723 122.533 119.800 0.017 0.000 2.330 434 Q HA 0.159 4.499 4.340 0.000 0.000 0.269 434 Q C -1.069 174.933 176.000 0.004 0.000 1.022 434 Q CA -0.667 55.185 55.803 0.081 0.000 0.796 434 Q CB 1.179 30.007 28.738 0.149 0.000 1.271 434 Q HN 0.404 nan 8.270 nan 0.000 0.450 435 N N 3.486 122.176 118.700 -0.017 0.000 2.420 435 N HA -0.006 4.734 4.740 0.000 0.000 0.262 435 N C -0.004 175.515 175.510 0.014 0.000 1.144 435 N CA 0.166 53.208 53.050 -0.013 0.000 0.952 435 N CB 0.952 39.413 38.487 -0.044 0.000 1.081 435 N HN 0.679 nan 8.380 nan 0.000 0.480 436 Q N 2.742 122.560 119.800 0.029 0.000 2.436 436 Q HA 0.015 4.355 4.340 0.000 0.000 0.209 436 Q C 0.750 176.771 176.000 0.035 0.000 0.965 436 Q CA 0.600 56.427 55.803 0.041 0.000 0.910 436 Q CB -0.103 28.672 28.738 0.061 0.000 0.980 436 Q HN 0.906 nan 8.270 nan 0.000 0.491 437 G N 1.754 110.571 108.800 0.029 0.000 2.298 437 G HA2 -0.203 3.757 3.960 0.000 0.000 0.287 437 G HA3 -0.203 3.757 3.960 0.000 0.000 0.287 437 G C -0.375 174.544 174.900 0.032 0.000 1.075 437 G CA 0.469 45.584 45.100 0.025 0.000 0.960 437 G HN 0.270 nan 8.290 nan 0.000 0.502 438 L N -0.253 120.996 121.223 0.043 0.000 2.902 438 L HA 0.434 4.774 4.340 0.000 0.000 0.261 438 L C -2.571 174.335 176.870 0.059 0.000 0.928 438 L CA -1.235 53.633 54.840 0.046 0.000 1.024 438 L CB 2.172 44.256 42.059 0.042 0.000 1.629 438 L HN 0.019 nan 8.230 nan 0.000 0.478 439 P HA 0.125 nan 4.420 nan 0.000 0.276 439 P C 0.617 177.954 177.300 0.061 0.000 1.235 439 P CA -0.429 62.717 63.100 0.076 0.000 0.772 439 P CB 1.462 33.214 31.700 0.086 0.000 0.871 440 L N 3.742 125.008 121.223 0.071 0.000 2.046 440 L HA -0.077 4.263 4.340 0.000 0.000 0.208 440 L C 1.082 177.973 176.870 0.035 0.000 1.077 440 L CA 1.863 56.740 54.840 0.063 0.000 0.747 440 L CB -0.358 41.753 42.059 0.086 0.000 0.896 440 L HN 0.574 nan 8.230 nan 0.000 0.432 441 R N -1.168 119.355 120.500 0.038 0.000 2.692 441 R HA 0.616 4.956 4.340 0.000 0.000 0.269 441 R C -1.040 175.260 176.300 0.000 0.000 1.030 441 R CA -0.944 55.164 56.100 0.013 0.000 0.882 441 R CB 1.139 31.444 30.300 0.008 0.000 1.250 441 R HN 0.093 nan 8.270 nan 0.000 0.465 442 R N 1.725 122.205 120.500 -0.032 0.000 2.604 442 R HA 0.335 4.675 4.340 0.000 0.000 0.261 442 R C -2.139 174.109 176.300 -0.086 0.000 1.080 442 R CA -0.803 55.227 56.100 -0.116 0.000 0.917 442 R CB 1.993 32.277 30.300 -0.027 0.000 1.252 442 R HN 0.902 nan 8.270 nan 0.000 0.456 443 H N 1.997 120.825 119.070 -0.403 0.000 2.947 443 H HA 0.331 4.887 4.556 0.000 0.000 0.354 443 H C -1.818 173.264 175.328 -0.412 0.000 1.085 443 H CA -0.476 55.399 56.048 -0.289 0.000 1.253 443 H CB 1.297 30.964 29.762 -0.158 0.000 1.757 443 H HN 0.576 nan 8.280 nan 0.000 0.523 444 H N 3.773 122.362 119.070 -0.801 0.000 2.551 444 H HA 0.364 4.920 4.556 0.000 0.000 0.321 444 H C -1.016 173.750 175.328 -0.936 0.000 1.028 444 H CA -0.238 55.446 56.048 -0.607 0.000 1.215 444 H CB 1.294 30.944 29.762 -0.186 0.000 1.414 444 H HN 0.500 nan 8.280 nan 0.000 0.480 445 S N 4.096 119.057 115.700 -1.231 0.000 2.461 445 S HA 0.125 4.595 4.470 0.000 0.000 0.322 445 S C 0.310 174.529 174.600 -0.635 0.000 1.063 445 S CA -0.696 56.940 58.200 -0.941 0.000 1.120 445 S CB 0.341 62.768 63.200 -1.288 0.000 0.968 445 S HN 0.670 nan 8.310 nan 0.000 0.467 446 D N 3.200 123.387 120.400 -0.356 0.000 2.339 446 D HA 0.122 4.762 4.640 0.000 0.000 0.217 446 D C -0.211 176.076 176.300 -0.021 0.000 1.050 446 D CA 0.208 54.053 54.000 -0.259 0.000 0.856 446 D CB 0.302 41.018 40.800 -0.141 0.000 0.922 446 D HN 0.379 nan 8.370 nan 0.000 0.518 447 L N 0.713 121.888 121.223 -0.080 0.000 2.276 447 L HA 0.159 4.499 4.340 0.000 0.000 0.286 447 L C -0.225 176.592 176.870 -0.089 0.000 1.024 447 L CA -0.263 54.457 54.840 -0.200 0.000 0.826 447 L CB 0.304 42.135 42.059 -0.379 0.000 1.211 447 L HN -0.056 nan 8.230 nan 0.000 0.422 448 Y N 1.030 121.388 120.300 0.096 0.000 2.740 448 Y HA -0.311 4.239 4.550 0.000 0.000 0.482 448 Y C 0.923 176.853 175.900 0.051 0.000 1.156 448 Y CA 0.956 59.090 58.100 0.056 0.000 2.839 448 Y CB -1.889 36.609 38.460 0.063 0.000 0.979 448 Y HN 0.620 nan 8.280 nan 0.000 0.561 449 S N 0.467 116.355 115.700 0.314 0.000 2.502 449 S HA 0.543 5.013 4.470 0.000 0.000 0.304 449 S C -0.907 173.916 174.600 0.371 0.000 1.097 449 S CA -0.536 57.844 58.200 0.300 0.000 1.045 449 S CB 0.670 64.095 63.200 0.375 0.000 1.019 449 S HN 0.318 nan 8.310 nan 0.000 0.481 450 H N 4.178 123.325 119.070 0.128 0.000 2.741 450 H HA 0.422 4.978 4.556 0.000 0.000 0.282 450 H C -0.902 174.442 175.328 0.027 0.000 1.122 450 H CA -0.445 55.589 56.048 -0.024 0.000 1.293 450 H CB 0.298 30.051 29.762 -0.015 0.000 1.415 450 H HN 0.660 nan 8.280 nan 0.000 0.472 451 Y N 1.722 121.956 120.300 -0.109 0.000 2.638 451 Y HA 0.496 5.046 4.550 0.000 0.000 0.335 451 Y C -2.071 173.611 175.900 -0.363 0.000 1.155 451 Y CA -1.702 56.262 58.100 -0.227 0.000 1.046 451 Y CB 1.348 39.756 38.460 -0.087 0.000 1.303 451 Y HN 0.340 nan 8.280 nan 0.000 0.460 452 F N 0.859 120.449 119.950 -0.599 0.000 2.565 452 F HA 0.897 5.424 4.527 0.000 0.000 0.313 452 F C -0.626 174.961 175.800 -0.355 0.000 1.091 452 F CA -0.782 56.858 58.000 -0.601 0.000 0.915 452 F CB 2.521 41.001 39.000 -0.867 0.000 1.208 452 F HN 0.953 nan 8.300 nan 0.000 0.453 453 G N 2.493 110.850 108.800 -0.738 0.000 2.668 453 G HA2 0.572 4.532 3.960 0.000 0.000 0.284 453 G HA3 0.572 4.532 3.960 0.000 0.000 0.284 453 G C -1.328 173.288 174.900 -0.473 0.000 1.456 453 G CA -0.218 44.758 45.100 -0.207 0.000 1.214 453 G HN 1.126 nan 8.290 nan 0.000 0.568 454 G N -0.475 108.247 108.800 -0.131 0.000 2.682 454 G HA2 0.808 4.768 3.960 0.000 0.000 0.303 454 G HA3 0.808 4.768 3.960 0.000 0.000 0.303 454 G C -2.170 172.819 174.900 0.148 0.000 1.341 454 G CA -0.800 44.296 45.100 -0.008 0.000 0.784 454 G HN 1.546 nan 8.290 nan 0.000 0.497 455 L N -0.328 120.979 121.223 0.139 0.000 2.676 455 L HA 0.751 5.091 4.340 0.000 0.000 0.262 455 L C -0.055 176.885 176.870 0.118 0.000 0.932 455 L CA -0.421 54.496 54.840 0.128 0.000 0.932 455 L CB 1.155 43.273 42.059 0.099 0.000 1.355 455 L HN 1.354 nan 8.230 nan 0.000 0.421 456 A N 3.538 126.427 122.820 0.115 0.000 2.425 456 A HA 0.452 4.773 4.320 0.000 0.000 0.249 456 A C 0.065 177.701 177.584 0.087 0.000 1.084 456 A CA -0.196 51.898 52.037 0.094 0.000 0.781 456 A CB 0.215 19.261 19.000 0.076 0.000 1.019 456 A HN 0.766 nan 8.150 nan 0.000 0.490 457 E N 1.044 121.295 120.200 0.084 0.000 2.223 457 E HA 0.320 4.670 4.350 0.000 0.000 0.282 457 E C -0.846 175.801 176.600 0.078 0.000 1.046 457 E CA 0.060 56.519 56.400 0.099 0.000 0.857 457 E CB 0.586 30.355 29.700 0.116 0.000 1.055 457 E HN 0.560 nan 8.360 nan 0.000 0.409 458 T N 3.722 118.325 114.554 0.082 0.000 2.809 458 T HA 0.337 4.687 4.350 0.000 0.000 0.284 458 T C -0.526 174.203 174.700 0.048 0.000 0.992 458 T CA -0.672 61.457 62.100 0.049 0.000 0.957 458 T CB 1.029 69.923 68.868 0.043 0.000 0.942 458 T HN 0.372 nan 8.240 nan 0.000 0.439 459 V N 2.200 122.098 119.914 -0.027 0.000 2.975 459 V HA 0.847 4.967 4.120 0.000 0.000 0.318 459 V C -0.695 175.290 176.094 -0.181 0.000 1.077 459 V CA -1.177 61.050 62.300 -0.123 0.000 1.000 459 V CB 1.626 33.277 31.823 -0.287 0.000 1.066 459 V HN 0.638 nan 8.190 nan 0.000 0.452 460 L N 3.057 124.150 121.223 -0.216 0.000 2.305 460 L HA 0.750 5.090 4.340 0.000 0.000 0.284 460 L C -0.370 176.278 176.870 -0.369 0.000 1.013 460 L CA 0.017 54.671 54.840 -0.311 0.000 0.819 460 L CB 1.400 43.335 42.059 -0.207 0.000 1.227 460 L HN 0.683 nan 8.230 nan 0.000 0.417 461 V N 5.245 124.767 119.914 -0.653 0.000 2.732 461 V HA 0.685 4.805 4.120 0.000 0.000 0.310 461 V C -0.534 175.286 176.094 -0.457 0.000 1.053 461 V CA -0.746 61.156 62.300 -0.663 0.000 0.957 461 V CB 2.027 33.139 31.823 -1.184 0.000 1.018 461 V HN 0.490 nan 8.190 nan 0.000 0.452 462 V N 4.002 123.776 119.914 -0.234 0.000 2.577 462 V HA 0.652 4.772 4.120 0.000 0.000 0.303 462 V C -0.321 175.762 176.094 -0.019 0.000 1.042 462 V CA -0.681 61.549 62.300 -0.116 0.000 0.872 462 V CB 1.879 33.665 31.823 -0.063 0.000 0.998 462 V HN 0.915 nan 8.190 nan 0.000 0.423 463 R N 2.565 123.110 120.500 0.075 0.000 2.651 463 R HA 0.788 5.128 4.340 0.000 0.000 0.278 463 R C -1.118 175.287 176.300 0.174 0.000 1.010 463 R CA -0.183 56.004 56.100 0.146 0.000 0.896 463 R CB 2.340 32.745 30.300 0.174 0.000 1.211 463 R HN 0.815 nan 8.270 nan 0.000 0.456 464 S N 3.556 119.372 115.700 0.194 0.000 2.632 464 S HA 0.651 5.121 4.470 0.000 0.000 0.289 464 S C -0.776 173.932 174.600 0.179 0.000 1.115 464 S CA -0.979 57.286 58.200 0.109 0.000 0.889 464 S CB 1.980 65.197 63.200 0.029 0.000 1.116 464 S HN 0.537 nan 8.310 nan 0.000 0.486 465 M N 1.636 121.293 119.600 0.095 0.000 2.327 465 M HA 0.431 4.911 4.480 0.000 0.000 0.298 465 M C -1.183 175.186 176.300 0.115 0.000 1.065 465 M CA -0.421 54.926 55.300 0.078 0.000 0.916 465 M CB 2.390 34.998 32.600 0.013 0.000 1.630 465 M HN 0.527 nan 8.290 nan 0.000 0.442 466 S N 1.430 117.252 115.700 0.203 0.000 2.433 466 S HA 0.513 4.983 4.470 0.000 0.000 0.310 466 S C -0.416 174.278 174.600 0.156 0.000 1.097 466 S CA -0.610 57.740 58.200 0.249 0.000 1.103 466 S CB 1.276 64.761 63.200 0.474 0.000 0.992 466 S HN 0.602 nan 8.310 nan 0.000 0.469 467 T N 4.465 119.094 114.554 0.125 0.000 2.853 467 T HA 0.402 4.753 4.350 0.000 0.000 0.317 467 T C -0.711 174.035 174.700 0.077 0.000 1.059 467 T CA -0.486 61.651 62.100 0.061 0.000 0.954 467 T CB -0.129 68.788 68.868 0.081 0.000 0.994 467 T HN 0.240 nan 8.240 nan 0.000 0.479 468 L N 5.638 126.802 121.223 -0.098 0.000 2.335 468 L HA 0.501 4.841 4.340 0.000 0.000 0.268 468 L C 0.766 177.417 176.870 -0.364 0.000 1.037 468 L CA -0.167 54.483 54.840 -0.315 0.000 0.895 468 L CB -0.249 41.529 42.059 -0.469 0.000 1.266 468 L HN 0.654 nan 8.230 nan 0.000 0.439 469 L N -0.241 120.879 121.223 -0.171 0.000 4.698 469 L HA -0.409 3.931 4.340 0.000 0.000 0.053 469 L C 0.797 177.467 176.870 -0.333 0.000 3.624 469 L CA 1.679 56.466 54.840 -0.088 0.000 1.214 469 L CB -1.132 40.816 42.059 -0.183 0.000 3.190 469 L HN 0.867 nan 8.230 nan 0.000 0.946 473 Y N 0.657 120.836 120.300 -0.202 0.000 2.310 473 Y HA 0.679 5.229 4.550 0.000 0.000 0.326 473 Y C 0.192 175.734 175.900 -0.597 0.000 1.151 473 Y CA -0.721 57.112 58.100 -0.445 0.000 1.195 473 Y CB 1.506 39.656 38.460 -0.517 0.000 1.210 473 Y HN 0.176 nan 8.280 nan 0.000 0.483 474 V N 3.134 122.759 119.914 -0.483 0.000 2.524 474 V HA 0.231 4.351 4.120 0.000 0.000 0.297 474 V C -1.575 174.375 176.094 -0.241 0.000 1.035 474 V CA -1.288 60.836 62.300 -0.293 0.000 0.867 474 V CB 1.043 32.831 31.823 -0.058 0.000 1.004 474 V HN 0.721 nan 8.190 nan 0.000 0.426 475 W N 2.962 124.374 121.300 0.187 0.000 2.282 475 W HA 0.583 5.243 4.660 0.000 0.000 0.322 475 W C -0.190 176.373 176.519 0.073 0.000 1.011 475 W CA -0.484 56.945 57.345 0.140 0.000 1.392 475 W CB 0.997 30.497 29.460 0.067 0.000 1.215 475 W HN 0.409 nan 8.180 nan 0.000 0.394 476 D N 1.682 122.221 120.400 0.230 0.000 2.175 476 D HA 0.423 5.063 4.640 0.000 0.000 0.248 476 D C -0.305 175.923 176.300 -0.121 0.000 1.047 476 D CA -0.074 53.956 54.000 0.049 0.000 0.883 476 D CB 1.688 42.513 40.800 0.041 0.000 1.180 476 D HN 0.038 nan 8.370 nan 0.000 0.438 477 T N 1.303 115.720 114.554 -0.228 0.000 2.847 477 T HA 0.428 4.779 4.350 0.000 0.000 0.291 477 T C -0.610 173.728 174.700 -0.603 0.000 0.998 477 T CA -0.571 61.237 62.100 -0.485 0.000 0.967 477 T CB 1.036 69.615 68.868 -0.482 0.000 0.954 477 T HN -0.019 nan 8.240 nan 0.000 0.441 478 V N 4.426 123.896 119.914 -0.740 0.000 2.448 478 V HA 0.554 4.675 4.120 0.000 0.000 0.295 478 V C -0.882 174.651 176.094 -0.935 0.000 1.025 478 V CA -0.918 60.969 62.300 -0.687 0.000 0.859 478 V CB 1.020 32.530 31.823 -0.521 0.000 0.988 478 V HN 0.779 nan 8.190 nan 0.000 0.431 479 F N 3.704 123.218 119.950 -0.726 0.000 2.404 479 F HA 0.528 5.055 4.527 0.000 0.000 0.354 479 F C 0.766 176.315 175.800 -0.419 0.000 1.122 479 F CA -0.399 57.101 58.000 -0.833 0.000 1.080 479 F CB 0.774 38.878 39.000 -1.493 0.000 1.131 479 F HN 0.474 nan 8.300 nan 0.000 0.471 480 H N 3.898 123.080 119.070 0.188 0.000 2.483 480 H HA 0.209 4.765 4.556 0.000 0.000 0.338 480 H C -1.709 173.957 175.328 0.563 0.000 1.152 480 H CA -1.827 54.404 56.048 0.305 0.000 1.264 480 H CB 1.675 31.553 29.762 0.193 0.000 1.510 480 H HN 0.279 nan 8.280 nan 0.000 0.530 481 P HA -0.095 nan 4.420 nan 0.000 0.233 481 P C 1.218 178.727 177.300 0.348 0.000 1.167 481 P CA 0.837 64.210 63.100 0.455 0.000 0.770 481 P CB 0.148 32.023 31.700 0.292 0.000 0.837 482 S N -1.625 114.227 115.700 0.253 0.000 2.562 482 S HA 0.258 4.728 4.470 0.000 0.000 0.221 482 S C 1.685 176.217 174.600 -0.114 0.000 0.975 482 S CA 0.604 58.847 58.200 0.071 0.000 0.918 482 S CB -1.233 61.999 63.200 0.054 0.000 0.772 482 S HN 0.283 nan 8.310 nan 0.000 0.531 483 G N 0.400 109.087 108.800 -0.190 0.000 2.176 483 G HA2 -0.072 3.888 3.960 0.000 0.000 0.232 483 G HA3 -0.072 3.888 3.960 0.000 0.000 0.232 483 G C 0.193 175.270 174.900 0.295 0.000 0.986 483 G CA -0.140 44.664 45.100 -0.492 0.000 0.643 483 G HN 1.269 nan 8.290 nan 0.000 0.522 484 A N -0.000 123.027 122.820 0.346 0.000 2.327 484 A HA 0.792 5.112 4.320 0.000 0.000 0.283 484 A C 0.198 177.987 177.584 0.342 0.000 1.127 484 A CA -0.132 52.103 52.037 0.330 0.000 0.810 484 A CB 0.496 19.577 19.000 0.134 0.000 1.066 484 A HN 0.746 nan 8.150 nan 0.000 0.492 485 I N 1.119 121.785 120.570 0.161 0.000 2.441 485 I HA 0.403 4.573 4.170 0.000 0.000 0.295 485 I C 0.135 176.104 176.117 -0.247 0.000 0.994 485 I CA -0.225 60.940 61.300 -0.225 0.000 1.144 485 I CB 1.878 39.645 38.000 -0.389 0.000 1.314 485 I HN 0.804 nan 8.210 nan 0.000 0.445 486 E N 6.564 126.484 120.200 -0.467 0.000 2.224 486 E HA 0.467 4.817 4.350 0.000 0.000 0.265 486 E C -1.573 174.525 176.600 -0.837 0.000 0.878 486 E CA -0.688 55.291 56.400 -0.701 0.000 0.759 486 E CB 1.632 30.997 29.700 -0.558 0.000 1.164 486 E HN 0.360 nan 8.360 nan 0.000 0.414 487 I N 4.440 124.348 120.570 -1.104 0.000 2.362 487 I HA 0.467 4.638 4.170 0.000 0.000 0.289 487 I C 0.060 175.644 176.117 -0.888 0.000 0.994 487 I CA -0.697 59.965 61.300 -1.064 0.000 1.158 487 I CB 0.893 37.957 38.000 -1.560 0.000 1.315 487 I HN 0.489 nan 8.210 nan 0.000 0.451 488 R N 5.456 125.652 120.500 -0.507 0.000 2.854 488 R HA 0.675 5.016 4.340 0.000 0.000 0.271 488 R C -1.232 175.035 176.300 -0.056 0.000 0.994 488 R CA -0.767 55.108 56.100 -0.374 0.000 0.945 488 R CB 3.097 33.161 30.300 -0.392 0.000 1.194 488 R HN 0.553 nan 8.270 nan 0.000 0.476 489 F N 0.555 120.329 119.950 -0.293 0.000 2.588 489 F HA 0.550 5.077 4.527 0.000 0.000 0.314 489 F C -1.957 173.612 175.800 -0.385 0.000 1.134 489 F CA -1.045 56.843 58.000 -0.186 0.000 0.961 489 F CB 1.084 40.142 39.000 0.097 0.000 1.239 489 F HN 0.344 nan 8.300 nan 0.000 0.448 490 Y N 3.089 123.259 120.300 -0.217 0.000 2.468 490 Y HA 0.800 5.350 4.550 0.000 0.000 0.342 490 Y C 0.017 175.843 175.900 -0.124 0.000 1.021 490 Y CA -1.247 56.672 58.100 -0.302 0.000 1.079 490 Y CB 2.031 40.355 38.460 -0.227 0.000 1.226 490 Y HN 0.960 nan 8.280 nan 0.000 0.460 491 A N 1.721 124.538 122.820 -0.005 0.000 2.288 491 A HA 0.738 5.058 4.320 0.000 0.000 0.320 491 A C -0.071 177.438 177.584 -0.125 0.000 1.217 491 A CA -0.280 51.712 52.037 -0.075 0.000 0.840 491 A CB 1.230 20.076 19.000 -0.257 0.000 1.179 491 A HN 0.755 nan 8.150 nan 0.000 0.504 492 T N 0.778 115.231 114.554 -0.169 0.000 2.591 492 T HA 0.806 5.156 4.350 0.000 0.000 0.274 492 T C 0.500 175.087 174.700 -0.188 0.000 0.945 492 T CA 1.075 63.082 62.100 -0.156 0.000 1.087 492 T CB 0.791 69.573 68.868 -0.144 0.000 1.416 492 T HN 2.667 nan 8.240 nan 0.000 0.514 493 G N -0.016 108.668 108.800 -0.194 0.000 2.508 493 G HA2 -0.134 3.826 3.960 0.000 0.000 0.220 493 G HA3 -0.134 3.826 3.960 0.000 0.000 0.220 493 G C -1.194 173.549 174.900 -0.261 0.000 1.287 493 G CA -0.118 44.852 45.100 -0.217 0.000 0.916 493 G HN 0.843 nan 8.290 nan 0.000 0.574 494 Y N 0.730 120.877 120.300 -0.254 0.000 2.310 494 Y HA 0.532 5.083 4.550 0.000 0.000 0.326 494 Y C 1.607 177.325 175.900 -0.304 0.000 1.151 494 Y CA -0.014 57.926 58.100 -0.266 0.000 1.195 494 Y CB 0.890 39.144 38.460 -0.344 0.000 1.210 494 Y HN 0.685 nan 8.280 nan 0.000 0.483 495 I N 0.032 120.598 120.570 -0.007 0.000 3.004 495 I HA 0.355 4.525 4.170 0.000 0.000 0.287 495 I C 0.270 176.316 176.117 -0.118 0.000 1.144 495 I CA -0.381 60.892 61.300 -0.045 0.000 1.353 495 I CB 0.951 38.947 38.000 -0.007 0.000 1.417 495 I HN 0.461 nan 8.210 nan 0.000 0.602 496 S N 2.574 118.197 115.700 -0.128 0.000 2.480 496 S HA 0.600 5.070 4.470 0.000 0.000 0.286 496 S C -0.228 174.340 174.600 -0.054 0.000 1.180 496 S CA -0.113 58.011 58.200 -0.128 0.000 1.075 496 S CB 0.604 63.663 63.200 -0.235 0.000 0.996 496 S HN 1.008 nan 8.310 nan 0.000 0.487 497 S N 3.354 119.061 115.700 0.012 0.000 2.715 497 S HA 0.955 5.425 4.470 0.000 0.000 0.307 497 S C -0.438 174.146 174.600 -0.027 0.000 1.119 497 S CA -0.432 57.772 58.200 0.008 0.000 0.937 497 S CB 1.442 64.660 63.200 0.030 0.000 1.150 497 S HN 1.494 nan 8.310 nan 0.000 0.521 498 A N 0.539 123.295 122.820 -0.106 0.000 2.566 498 A HA 0.732 5.052 4.320 0.000 0.000 0.292 498 A C -1.117 176.439 177.584 -0.048 0.000 1.112 498 A CA -0.792 51.064 52.037 -0.302 0.000 0.707 498 A CB 0.800 19.600 19.000 -0.333 0.000 1.302 498 A HN 1.173 nan 8.150 nan 0.000 0.409 499 F N 1.000 120.923 119.950 -0.045 0.000 2.484 499 F HA 0.512 5.039 4.527 0.000 0.000 0.360 499 F C -0.127 175.741 175.800 0.112 0.000 1.101 499 F CA -0.580 57.515 58.000 0.159 0.000 1.251 499 F CB 0.636 39.800 39.000 0.273 0.000 1.132 499 F HN 0.483 nan 8.300 nan 0.000 0.570 500 L N 8.809 129.488 121.223 -0.908 0.000 2.290 500 L HA 0.425 4.765 4.340 0.000 0.000 0.284 500 L C -1.263 175.085 176.870 -0.871 0.000 1.078 500 L CA -0.234 54.186 54.840 -0.700 0.000 0.815 500 L CB 0.154 41.995 42.059 -0.362 0.000 1.162 500 L HN 0.534 nan 8.230 nan 0.000 0.435 501 F N 3.738 123.430 119.950 -0.430 0.000 2.653 501 F HA 0.858 5.385 4.527 0.000 0.000 0.327 501 F C 0.058 175.818 175.800 -0.067 0.000 1.195 501 F CA -0.255 57.623 58.000 -0.203 0.000 0.993 501 F CB 0.638 39.608 39.000 -0.050 0.000 1.259 501 F HN 0.912 nan 8.300 nan 0.000 0.478 506 K N -0.177 119.977 120.400 -0.410 0.000 2.362 506 K HA -0.069 4.252 4.320 0.000 0.000 0.202 506 K C 0.714 176.878 176.600 -0.726 0.000 1.045 506 K CA 1.171 57.058 56.287 -0.665 0.000 0.936 506 K CB -0.120 31.763 32.500 -1.027 0.000 0.747 506 K HN 0.604 nan 8.250 nan 0.000 0.467 507 Y N -0.678 119.574 120.300 -0.079 0.000 2.557 507 Y HA 0.258 4.808 4.550 0.000 0.000 0.247 507 Y C 0.907 176.762 175.900 -0.075 0.000 1.164 507 Y CA -0.391 57.659 58.100 -0.083 0.000 1.218 507 Y CB 1.598 39.988 38.460 -0.117 0.000 1.210 507 Y HN 0.094 nan 8.280 nan 0.000 0.529 508 G N 0.044 108.845 108.800 0.002 0.000 2.320 508 G HA2 -0.036 3.925 3.960 0.000 0.000 0.274 508 G HA3 -0.036 3.925 3.960 0.000 0.000 0.274 508 G C -1.901 172.987 174.900 -0.020 0.000 1.324 508 G CA -1.113 43.986 45.100 -0.003 0.000 0.957 508 G HN -0.039 nan 8.290 nan 0.000 0.481 509 N N 0.267 118.961 118.700 -0.009 0.000 2.335 509 N HA 0.417 5.158 4.740 0.000 0.000 0.304 509 N C -0.619 174.881 175.510 -0.017 0.000 1.135 509 N CA -0.584 52.463 53.050 -0.006 0.000 0.817 509 N CB 2.151 40.656 38.487 0.029 0.000 1.294 509 N HN 0.686 nan 8.380 nan 0.000 0.497 510 Q N 1.269 121.056 119.800 -0.021 0.000 2.293 510 Q HA 0.160 4.500 4.340 0.000 0.000 0.263 510 Q C 0.765 176.762 176.000 -0.006 0.000 1.002 510 Q CA -0.170 55.618 55.803 -0.025 0.000 0.910 510 Q CB 0.738 29.458 28.738 -0.029 0.000 1.185 510 Q HN 0.606 nan 8.270 nan 0.000 0.401 511 V N 0.192 120.100 119.914 -0.010 0.000 3.523 511 V HA 0.271 4.391 4.120 0.000 0.000 0.255 511 V C 0.266 176.359 176.094 -0.001 0.000 1.226 511 V CA 0.794 63.092 62.300 -0.003 0.000 1.092 511 V CB 0.374 32.187 31.823 -0.017 0.000 0.817 511 V HN 0.646 nan 8.190 nan 0.000 0.458 512 S N -1.120 114.578 115.700 -0.004 0.000 2.672 512 S HA 0.655 5.125 4.470 0.000 0.000 0.271 512 S C -0.165 174.437 174.600 0.003 0.000 1.171 512 S CA 0.058 58.263 58.200 0.009 0.000 0.817 512 S CB 0.866 64.068 63.200 0.003 0.000 1.150 512 S HN 1.258 nan 8.310 nan 0.000 0.478 513 E N 0.228 120.433 120.200 0.008 0.000 2.606 513 E HA 0.193 4.543 4.350 0.000 0.000 0.248 513 E C 0.573 177.134 176.600 -0.066 0.000 1.005 513 E CA 0.618 56.947 56.400 -0.119 0.000 0.946 513 E CB -1.309 28.343 29.700 -0.082 0.000 0.928 513 E HN 1.070 nan 8.360 nan 0.000 0.494 514 H N 0.214 119.342 119.070 0.096 0.000 3.211 514 H HA -0.141 4.415 4.556 0.000 0.000 0.240 514 H C -0.166 175.161 175.328 -0.002 0.000 1.148 514 H CA 1.431 57.513 56.048 0.057 0.000 1.160 514 H CB -2.349 27.579 29.762 0.276 0.000 1.232 514 H HN 0.668 nan 8.280 nan 0.000 0.321 515 T N 1.460 116.054 114.554 0.068 0.000 2.770 515 T HA 0.474 4.824 4.350 0.000 0.000 0.283 515 T C 0.485 175.162 174.700 -0.037 0.000 0.988 515 T CA -0.788 61.329 62.100 0.029 0.000 0.957 515 T CB 2.259 71.138 68.868 0.019 0.000 0.930 515 T HN 0.118 nan 8.240 nan 0.000 0.443 516 L N 3.632 124.810 121.223 -0.074 0.000 2.290 516 L HA 0.636 4.976 4.340 0.000 0.000 0.284 516 L C 0.607 177.444 176.870 -0.055 0.000 1.078 516 L CA 0.085 54.873 54.840 -0.086 0.000 0.815 516 L CB 0.375 42.349 42.059 -0.141 0.000 1.162 516 L HN 0.786 nan 8.230 nan 0.000 0.435 517 G N 3.274 112.051 108.800 -0.038 0.000 2.356 517 G HA2 0.410 4.371 3.960 0.000 0.000 0.300 517 G HA3 0.410 4.371 3.960 0.000 0.000 0.300 517 G C -0.141 174.756 174.900 -0.005 0.000 1.107 517 G CA -0.121 44.961 45.100 -0.029 0.000 0.960 517 G HN 0.766 nan 8.290 nan 0.000 0.418 518 T N 0.214 114.786 114.554 0.031 0.000 2.832 518 T HA 0.344 4.695 4.350 0.000 0.000 0.296 518 T C 0.642 175.460 174.700 0.196 0.000 0.968 518 T CA -0.707 61.450 62.100 0.096 0.000 1.107 518 T CB 1.829 70.756 68.868 0.098 0.000 0.916 518 T HN 0.494 nan 8.240 nan 0.000 0.517 519 V N 5.608 125.595 119.914 0.120 0.000 2.999 519 V HA 0.352 4.472 4.120 0.000 0.000 0.307 519 V C -0.026 176.104 176.094 0.060 0.000 1.084 519 V CA 0.424 62.748 62.300 0.041 0.000 1.155 519 V CB -0.282 31.543 31.823 0.003 0.000 0.975 519 V HN 1.244 nan 8.190 nan 0.000 0.490 520 H N 2.339 121.231 119.070 -0.295 0.000 2.935 520 H HA 0.452 5.008 4.556 0.000 0.000 0.297 520 H C -1.068 174.011 175.328 -0.415 0.000 1.423 520 H CA -0.284 55.440 56.048 -0.540 0.000 1.161 520 H CB 1.168 30.150 29.762 -1.299 0.000 1.841 520 H HN 0.700 nan 8.280 nan 0.000 0.506 521 T N -0.786 113.505 114.554 -0.437 0.000 2.885 521 T HA 0.436 4.786 4.350 0.000 0.000 0.285 521 T C -0.620 173.810 174.700 -0.449 0.000 1.019 521 T CA -0.799 61.062 62.100 -0.397 0.000 1.010 521 T CB 2.097 70.820 68.868 -0.242 0.000 1.022 521 T HN 0.632 nan 8.240 nan 0.000 0.466 522 H N 1.080 119.902 119.070 -0.413 0.000 2.499 522 H HA 0.736 5.292 4.556 0.000 0.000 0.340 522 H C -0.171 175.112 175.328 -0.074 0.000 1.148 522 H CA -0.567 55.358 56.048 -0.205 0.000 1.215 522 H CB 2.022 31.607 29.762 -0.296 0.000 1.529 522 H HN 0.940 nan 8.280 nan 0.000 0.510 523 S N 0.560 116.411 115.700 0.251 0.000 2.565 523 S HA 0.767 5.237 4.470 0.000 0.000 0.269 523 S C -1.149 173.646 174.600 0.326 0.000 1.153 523 S CA -0.999 57.409 58.200 0.348 0.000 0.835 523 S CB 2.229 65.592 63.200 0.272 0.000 1.122 523 S HN 0.839 nan 8.310 nan 0.000 0.462 524 A N 1.077 124.077 122.820 0.300 0.000 2.486 524 A HA 0.787 5.107 4.320 0.000 0.000 0.300 524 A C -1.376 176.110 177.584 -0.163 0.000 1.048 524 A CA -0.569 51.386 52.037 -0.137 0.000 0.696 524 A CB 1.337 20.076 19.000 -0.436 0.000 1.278 524 A HN 0.946 nan 8.150 nan 0.000 0.405 525 H N 0.890 119.409 119.070 -0.918 0.000 2.495 525 H HA 0.684 5.241 4.556 0.000 0.000 0.348 525 H C -1.774 173.038 175.328 -0.860 0.000 1.113 525 H CA -0.441 55.101 56.048 -0.843 0.000 1.195 525 H CB 1.034 29.898 29.762 -1.496 0.000 1.521 525 H HN 0.517 nan 8.280 nan 0.000 0.509 526 F N 2.612 122.270 119.950 -0.487 0.000 2.540 526 F HA 0.265 4.792 4.527 0.000 0.000 0.317 526 F C 0.011 175.539 175.800 -0.453 0.000 1.104 526 F CA -0.874 56.915 58.000 -0.353 0.000 0.913 526 F CB 1.857 40.802 39.000 -0.092 0.000 1.170 526 F HN 0.307 nan 8.300 nan 0.000 0.450 527 K N 2.569 122.834 120.400 -0.226 0.000 2.227 527 K HA 0.680 5.000 4.320 0.000 0.000 0.280 527 K C -1.540 174.838 176.600 -0.370 0.000 1.041 527 K CA -0.364 55.622 56.287 -0.502 0.000 0.905 527 K CB 1.056 33.262 32.500 -0.489 0.000 1.068 527 K HN 0.541 nan 8.250 nan 0.000 0.470 528 V N 4.361 124.006 119.914 -0.449 0.000 2.340 528 V HA 0.086 4.207 4.120 0.000 0.000 0.277 528 V C -0.864 175.065 176.094 -0.274 0.000 1.017 528 V CA -0.880 61.256 62.300 -0.274 0.000 0.820 528 V CB 1.104 32.802 31.823 -0.208 0.000 1.028 528 V HN 0.781 nan 8.190 nan 0.000 0.436 529 D N 4.821 125.098 120.400 -0.205 0.000 2.524 529 D HA 0.325 4.965 4.640 0.000 0.000 0.222 529 D C -0.030 176.246 176.300 -0.040 0.000 1.142 529 D CA -0.093 53.837 54.000 -0.117 0.000 0.973 529 D CB 0.475 41.258 40.800 -0.028 0.000 1.025 529 D HN 0.402 nan 8.370 nan 0.000 0.519 530 L N 2.295 123.485 121.223 -0.055 0.000 2.416 530 L HA 0.198 4.538 4.340 0.000 0.000 0.272 530 L C 0.232 177.112 176.870 0.018 0.000 1.161 530 L CA 0.181 55.005 54.840 -0.027 0.000 0.845 530 L CB 0.721 42.770 42.059 -0.017 0.000 1.119 530 L HN 0.188 nan 8.230 nan 0.000 0.464 531 D N 2.577 123.004 120.400 0.045 0.000 2.412 531 D HA 0.197 4.837 4.640 0.000 0.000 0.276 531 D C -0.648 175.728 176.300 0.125 0.000 1.196 531 D CA -0.210 53.840 54.000 0.083 0.000 0.905 531 D CB 1.291 42.153 40.800 0.103 0.000 1.081 531 D HN 0.009 nan 8.370 nan 0.000 0.502 532 V N 1.184 121.195 119.914 0.161 0.000 2.421 532 V HA 0.325 4.445 4.120 0.000 0.000 0.271 532 V C 1.239 177.540 176.094 0.345 0.000 1.031 532 V CA -0.583 61.875 62.300 0.263 0.000 1.032 532 V CB 0.259 32.284 31.823 0.338 0.000 1.009 532 V HN 0.702 nan 8.190 nan 0.000 0.477 533 A N 3.771 126.842 122.820 0.419 0.000 2.640 533 A HA 0.167 4.487 4.320 0.000 0.000 0.300 533 A C 1.149 178.895 177.584 0.270 0.000 1.499 533 A CA 1.206 53.443 52.037 0.333 0.000 0.759 533 A CB -1.457 17.717 19.000 0.290 0.000 1.048 533 A HN 2.814 nan 8.150 nan 0.000 0.450 534 G N -2.633 106.298 108.800 0.220 0.000 2.462 534 G HA2 0.162 4.122 3.960 0.000 0.000 0.685 534 G HA3 0.162 4.122 3.960 0.000 0.000 0.685 534 G C 0.319 175.300 174.900 0.135 0.000 1.295 534 G CA -0.286 44.919 45.100 0.176 0.000 0.941 534 G HN 1.001 nan 8.290 nan 0.000 0.554 535 L N 0.164 121.441 121.223 0.089 0.000 2.023 535 L HA 0.084 4.424 4.340 0.000 0.000 0.205 535 L C 1.827 178.702 176.870 0.007 0.000 1.073 535 L CA 1.401 56.262 54.840 0.035 0.000 0.745 535 L CB -0.569 41.490 42.059 0.000 0.000 0.900 535 L HN 0.606 nan 8.230 nan 0.000 0.435 536 E N 1.354 121.557 120.200 0.004 0.000 2.328 536 E HA 0.110 4.460 4.350 0.000 0.000 0.265 536 E C -0.612 175.956 176.600 -0.053 0.000 1.057 536 E CA 0.022 56.357 56.400 -0.107 0.000 0.916 536 E CB 0.130 29.787 29.700 -0.072 0.000 0.993 536 E HN 0.353 nan 8.360 nan 0.000 0.446 537 N N 1.039 119.607 118.700 -0.221 0.000 2.321 537 N HA 0.518 5.258 4.740 0.000 0.000 0.290 537 N C -0.937 174.453 175.510 -0.200 0.000 1.212 537 N CA -0.895 52.169 53.050 0.023 0.000 0.767 537 N CB 1.738 40.275 38.487 0.083 0.000 1.494 537 N HN 0.381 nan 8.380 nan 0.000 0.479 538 W N 0.694 121.997 121.300 0.005 0.000 2.882 538 W HA 0.540 5.200 4.660 0.000 0.000 0.345 538 W C -1.006 175.401 176.519 -0.186 0.000 1.125 538 W CA -0.618 56.645 57.345 -0.137 0.000 1.167 538 W CB 1.672 30.990 29.460 -0.235 0.000 1.431 538 W HN 0.059 nan 8.180 nan 0.000 0.543 539 V N 1.293 121.144 119.914 -0.104 0.000 2.398 539 V HA 0.317 4.437 4.120 0.000 0.000 0.286 539 V C -1.115 174.769 176.094 -0.349 0.000 1.026 539 V CA -0.412 61.808 62.300 -0.134 0.000 0.868 539 V CB 1.036 32.832 31.823 -0.045 0.000 0.982 539 V HN 0.418 nan 8.190 nan 0.000 0.443 540 W N 2.762 123.884 121.300 -0.298 0.000 2.587 540 W HA 0.756 5.416 4.660 0.000 0.000 0.324 540 W C -0.051 176.297 176.519 -0.286 0.000 1.040 540 W CA -0.543 56.545 57.345 -0.429 0.000 1.222 540 W CB 1.996 30.807 29.460 -1.082 0.000 1.381 540 W HN 0.631 nan 8.180 nan 0.000 0.483 541 A N 3.096 126.050 122.820 0.223 0.000 2.287 541 A HA 0.708 5.028 4.320 0.000 0.000 0.317 541 A C -0.722 177.019 177.584 0.262 0.000 1.220 541 A CA -0.599 51.572 52.037 0.223 0.000 0.835 541 A CB 0.749 19.870 19.000 0.202 0.000 1.180 541 A HN 0.675 nan 8.150 nan 0.000 0.500 542 E N 1.524 121.880 120.200 0.260 0.000 2.238 542 E HA 0.516 4.866 4.350 0.000 0.000 0.267 542 E C -1.268 175.395 176.600 0.105 0.000 0.887 542 E CA -0.703 55.797 56.400 0.167 0.000 0.769 542 E CB 2.343 32.112 29.700 0.116 0.000 1.187 542 E HN 0.720 nan 8.360 nan 0.000 0.416 543 D N 0.960 121.385 120.400 0.042 0.000 2.895 543 D HA 0.412 5.053 4.640 0.000 0.000 0.320 543 D C -1.131 175.142 176.300 -0.046 0.000 1.249 543 D CA -0.478 53.535 54.000 0.021 0.000 0.997 543 D CB 1.760 42.586 40.800 0.044 0.000 1.430 543 D HN 0.436 nan 8.370 nan 0.000 0.558 544 M N -0.046 119.516 119.600 -0.063 0.000 2.716 544 M HA 0.776 5.256 4.480 0.000 0.000 0.307 544 M C -1.292 174.920 176.300 -0.146 0.000 1.223 544 M CA -0.827 54.387 55.300 -0.144 0.000 0.871 544 M CB 2.550 35.032 32.600 -0.198 0.000 1.739 544 M HN 0.117 nan 8.290 nan 0.000 0.475 545 V N 1.183 120.956 119.914 -0.235 0.000 3.147 545 V HA 0.621 4.741 4.120 0.000 0.000 0.299 545 V C -2.147 173.766 176.094 -0.302 0.000 1.302 545 V CA -0.606 61.589 62.300 -0.176 0.000 1.015 545 V CB 2.838 34.632 31.823 -0.049 0.000 1.086 545 V HN 0.897 nan 8.190 nan 0.000 0.437 546 F N 3.459 123.414 119.950 0.008 0.000 2.450 546 F HA 0.772 5.299 4.527 0.000 0.000 0.332 546 F C 0.000 175.802 175.800 0.004 0.000 1.093 546 F CA -0.686 57.316 58.000 0.004 0.000 1.003 546 F CB 2.182 41.184 39.000 0.003 0.000 1.151 546 F HN 0.258 nan 8.300 nan 0.000 0.474 547 V N 4.297 124.329 119.914 0.197 0.000 2.447 547 V HA 0.327 4.447 4.120 0.000 0.000 0.292 547 V C -2.309 173.836 176.094 0.086 0.000 1.021 547 V CA -2.162 60.203 62.300 0.108 0.000 0.850 547 V CB 1.703 33.563 31.823 0.061 0.000 1.005 547 V HN 0.497 nan 8.190 nan 0.000 0.426 548 P HA 0.264 nan 4.420 nan 0.000 0.266 548 P C -0.467 176.841 177.300 0.014 0.000 1.193 548 P CA 0.293 63.409 63.100 0.027 0.000 0.770 548 P CB 0.396 32.104 31.700 0.014 0.000 0.836 549 M N 1.005 120.602 119.600 -0.005 0.000 2.426 549 M HA 0.403 4.883 4.480 0.000 0.000 0.289 549 M C -1.060 175.210 176.300 -0.050 0.000 1.168 549 M CA -0.823 54.465 55.300 -0.021 0.000 0.933 549 M CB 2.302 34.892 32.600 -0.016 0.000 1.750 549 M HN 0.271 nan 8.290 nan 0.000 0.494 550 A N 2.392 125.178 122.820 -0.058 0.000 2.511 550 A HA 0.432 4.752 4.320 0.000 0.000 0.242 550 A C -0.134 177.361 177.584 -0.149 0.000 1.069 550 A CA -0.292 51.693 52.037 -0.087 0.000 0.763 550 A CB -0.018 18.938 19.000 -0.072 0.000 1.001 550 A HN 0.595 nan 8.150 nan 0.000 0.498 551 V N 6.157 125.932 119.914 -0.230 0.000 2.450 551 V HA 0.028 4.148 4.120 0.000 0.000 0.281 551 V C -1.255 174.553 176.094 -0.475 0.000 1.019 551 V CA -0.406 61.603 62.300 -0.484 0.000 1.062 551 V CB 0.646 32.068 31.823 -0.668 0.000 0.979 551 V HN 0.831 nan 8.190 nan 0.000 0.477 552 P HA -0.161 nan 4.420 nan 0.000 0.216 552 P C 1.153 178.450 177.300 -0.004 0.000 1.157 552 P CA 1.757 64.796 63.100 -0.102 0.000 0.880 552 P CB 0.011 31.761 31.700 0.083 0.000 0.791 553 W N -1.769 119.546 121.300 0.024 0.000 3.388 553 W HA 0.507 5.167 4.660 0.000 0.000 0.324 553 W C 0.083 176.626 176.519 0.040 0.000 1.250 553 W CA 0.055 57.415 57.345 0.025 0.000 1.809 553 W CB -0.418 29.053 29.460 0.017 0.000 1.083 553 W HN -0.122 nan 8.180 nan 0.000 0.685 554 S N 0.203 115.770 115.700 -0.221 0.000 2.751 554 S HA 0.196 4.666 4.470 0.000 0.000 0.148 554 S C -2.112 172.433 174.600 -0.092 0.000 1.057 554 S CA -0.610 57.542 58.200 -0.079 0.000 1.103 554 S CB -0.163 63.038 63.200 0.003 0.000 1.709 554 S HN -0.159 nan 8.310 nan 0.000 0.484 555 P HA 0.027 nan 4.420 nan 0.000 0.223 555 P C 1.516 178.756 177.300 -0.101 0.000 1.144 555 P CA 1.588 64.632 63.100 -0.093 0.000 0.783 555 P CB 0.014 31.676 31.700 -0.063 0.000 0.771 556 E N -0.822 119.299 120.200 -0.131 0.000 2.396 556 E HA -0.182 4.168 4.350 0.000 0.000 0.200 556 E C 0.271 176.658 176.600 -0.356 0.000 1.023 556 E CA 1.136 57.395 56.400 -0.234 0.000 0.857 556 E CB -1.337 28.196 29.700 -0.278 0.000 0.775 556 E HN 0.495 nan 8.360 nan 0.000 0.525 557 H N -2.281 116.727 119.070 -0.104 0.000 2.670 557 H HA 0.584 5.140 4.556 0.000 0.000 0.361 557 H C -0.628 174.622 175.328 -0.131 0.000 1.169 557 H CA -0.850 55.131 56.048 -0.113 0.000 1.198 557 H CB 1.867 31.550 29.762 -0.132 0.000 1.700 557 H HN 0.195 nan 8.280 nan 0.000 0.542 558 Q N 2.318 122.151 119.800 0.056 0.000 2.316 558 Q HA 0.453 4.793 4.340 0.000 0.000 0.264 558 Q C -1.639 174.340 176.000 -0.034 0.000 0.987 558 Q CA -0.905 54.890 55.803 -0.013 0.000 0.852 558 Q CB 1.101 29.834 28.738 -0.009 0.000 1.287 558 Q HN 0.592 nan 8.270 nan 0.000 0.448 559 L N 0.560 121.749 121.223 -0.057 0.000 2.341 559 L HA 0.698 5.038 4.340 0.000 0.000 0.267 559 L C -0.991 175.871 176.870 -0.013 0.000 1.009 559 L CA -1.038 53.774 54.840 -0.047 0.000 0.819 559 L CB 2.101 44.120 42.059 -0.068 0.000 1.323 559 L HN 0.426 nan 8.230 nan 0.000 0.425 560 Q N 2.801 122.599 119.800 -0.003 0.000 2.390 560 Q HA 0.302 4.642 4.340 0.000 0.000 0.249 560 Q C -0.829 175.286 176.000 0.192 0.000 0.996 560 Q CA -0.273 55.559 55.803 0.047 0.000 0.899 560 Q CB 1.460 30.126 28.738 -0.120 0.000 1.216 560 Q HN 0.501 nan 8.270 nan 0.000 0.465 561 R N 2.935 123.548 120.500 0.188 0.000 2.235 561 R HA 0.198 4.538 4.340 0.000 0.000 0.338 561 R C -0.807 175.585 176.300 0.155 0.000 1.087 561 R CA -0.587 55.606 56.100 0.154 0.000 0.948 561 R CB -0.284 30.061 30.300 0.075 0.000 1.099 561 R HN 0.431 nan 8.270 nan 0.000 0.483 562 L N 3.755 125.057 121.223 0.133 0.000 2.462 562 L HA 0.211 4.551 4.340 0.000 0.000 0.272 562 L C -0.745 176.038 176.870 -0.146 0.000 1.166 562 L CA 1.075 55.807 54.840 -0.180 0.000 0.880 562 L CB 0.485 42.428 42.059 -0.193 0.000 1.142 562 L HN 0.728 nan 8.230 nan 0.000 0.473 563 Q N 3.309 122.986 119.800 -0.205 0.000 2.456 563 Q HA 0.543 4.883 4.340 0.000 0.000 0.283 563 Q C -1.420 174.495 176.000 -0.141 0.000 1.084 563 Q CA -1.155 54.573 55.803 -0.124 0.000 0.801 563 Q CB 2.490 31.186 28.738 -0.070 0.000 1.434 563 Q HN 0.455 nan 8.270 nan 0.000 0.419 564 V N 1.718 121.572 119.914 -0.101 0.000 2.432 564 V HA 0.276 4.396 4.120 0.000 0.000 0.275 564 V C 0.252 176.318 176.094 -0.046 0.000 1.043 564 V CA -0.344 61.900 62.300 -0.093 0.000 0.925 564 V CB 1.093 32.859 31.823 -0.096 0.000 0.985 564 V HN 0.898 nan 8.190 nan 0.000 0.466 565 T N 3.407 117.944 114.554 -0.028 0.000 2.882 565 T HA 0.699 5.049 4.350 0.000 0.000 0.287 565 T C -0.377 174.356 174.700 0.056 0.000 0.992 565 T CA -0.803 61.308 62.100 0.019 0.000 1.076 565 T CB 1.466 70.352 68.868 0.029 0.000 0.961 565 T HN 0.724 nan 8.240 nan 0.000 0.490 566 R N 1.187 121.746 120.500 0.098 0.000 2.564 566 R HA 0.598 4.938 4.340 0.000 0.000 0.284 566 R C -1.473 174.965 176.300 0.230 0.000 1.031 566 R CA -0.806 55.399 56.100 0.175 0.000 0.904 566 R CB 1.564 31.955 30.300 0.152 0.000 1.199 566 R HN 0.814 nan 8.270 nan 0.000 0.443 567 K N 4.154 124.726 120.400 0.287 0.000 2.464 567 K HA 0.347 4.667 4.320 0.000 0.000 0.253 567 K C -1.669 175.056 176.600 0.210 0.000 0.933 567 K CA -0.904 55.518 56.287 0.226 0.000 0.801 567 K CB 1.628 34.213 32.500 0.143 0.000 1.271 567 K HN 0.427 nan 8.250 nan 0.000 0.430 568 L N 5.201 126.420 121.223 -0.007 0.000 2.290 568 L HA 0.365 4.705 4.340 0.000 0.000 0.284 568 L C -1.079 175.678 176.870 -0.189 0.000 1.078 568 L CA -0.133 54.465 54.840 -0.403 0.000 0.815 568 L CB 0.760 42.439 42.059 -0.632 0.000 1.162 568 L HN 0.552 nan 8.230 nan 0.000 0.435 569 L N 6.172 127.286 121.223 -0.181 0.000 2.283 569 L HA 0.286 4.626 4.340 0.000 0.000 0.287 569 L C 0.866 177.678 176.870 -0.097 0.000 1.073 569 L CA -0.141 54.649 54.840 -0.084 0.000 0.822 569 L CB 0.716 42.760 42.059 -0.024 0.000 1.186 569 L HN 0.748 nan 8.230 nan 0.000 0.436 570 E N 2.668 122.826 120.200 -0.070 0.000 2.132 570 E HA 0.136 4.486 4.350 0.000 0.000 0.193 570 E C 0.173 176.736 176.600 -0.061 0.000 0.951 570 E CA 0.345 56.710 56.400 -0.058 0.000 0.843 570 E CB 0.348 30.027 29.700 -0.035 0.000 0.807 570 E HN 0.473 nan 8.360 nan 0.000 0.467 571 M N 1.026 120.593 119.600 -0.055 0.000 2.478 571 M HA 0.198 4.679 4.480 0.000 0.000 0.327 571 M C 0.979 177.242 176.300 -0.061 0.000 1.187 571 M CA -0.020 55.247 55.300 -0.054 0.000 1.022 571 M CB 1.323 33.897 32.600 -0.044 0.000 1.629 571 M HN -0.003 nan 8.290 nan 0.000 0.461 572 E N 1.563 121.729 120.200 -0.057 0.000 2.114 572 E HA -0.251 4.099 4.350 0.000 0.000 0.199 572 E C 1.829 178.385 176.600 -0.074 0.000 1.008 572 E CA 2.329 58.696 56.400 -0.055 0.000 0.810 572 E CB 0.248 29.919 29.700 -0.048 0.000 0.739 572 E HN 0.841 nan 8.360 nan 0.000 0.456 573 E N 0.896 121.053 120.200 -0.072 0.000 2.204 573 E HA -0.231 4.120 4.350 0.000 0.000 0.195 573 E C 1.661 178.185 176.600 -0.126 0.000 0.990 573 E CA 1.417 57.770 56.400 -0.077 0.000 0.821 573 E CB -0.681 28.988 29.700 -0.051 0.000 0.750 573 E HN 0.383 nan 8.360 nan 0.000 0.477 574 Q N -1.110 118.614 119.800 -0.126 0.000 2.435 574 Q HA 0.265 4.605 4.340 0.000 0.000 0.207 574 Q C 1.907 177.727 176.000 -0.300 0.000 0.956 574 Q CA 0.737 56.439 55.803 -0.167 0.000 0.917 574 Q CB 0.350 29.037 28.738 -0.085 0.000 0.997 574 Q HN 0.535 nan 8.270 nan 0.000 0.497 575 A N 0.105 122.771 122.820 -0.257 0.000 2.500 575 A HA 0.523 4.843 4.320 0.000 0.000 0.267 575 A C 0.453 177.850 177.584 -0.312 0.000 1.290 575 A CA -0.153 51.737 52.037 -0.245 0.000 0.928 575 A CB 0.437 19.432 19.000 -0.008 0.000 1.066 575 A HN 0.164 nan 8.150 nan 0.000 0.516 576 A N 0.386 122.963 122.820 -0.405 0.000 2.412 576 A HA 0.665 4.985 4.320 0.000 0.000 0.334 576 A C -0.885 176.635 177.584 -0.106 0.000 1.419 576 A CA -0.352 51.614 52.037 -0.119 0.000 0.930 576 A CB -0.574 18.426 19.000 -0.001 0.000 1.149 576 A HN 0.277 nan 8.150 nan 0.000 0.515 577 F N 3.094 123.218 119.950 0.290 0.000 2.350 577 F HA 0.359 4.887 4.527 0.000 0.000 0.365 577 F C 0.220 176.157 175.800 0.228 0.000 1.122 577 F CA -0.693 57.438 58.000 0.219 0.000 1.139 577 F CB 0.858 39.954 39.000 0.161 0.000 1.220 577 F HN 0.296 nan 8.300 nan 0.000 0.499 578 L N 3.300 124.667 121.223 0.239 0.000 2.467 578 L HA 0.108 4.448 4.340 0.000 0.000 0.270 578 L C 0.281 177.207 176.870 0.095 0.000 1.205 578 L CA -0.037 54.825 54.840 0.037 0.000 0.828 578 L CB 0.229 42.245 42.059 -0.072 0.000 1.101 578 L HN 0.261 nan 8.230 nan 0.000 0.479 579 V N 2.829 122.763 119.914 0.034 0.000 2.599 579 V HA 0.332 4.452 4.120 0.000 0.000 0.300 579 V C 1.198 177.315 176.094 0.038 0.000 1.034 579 V CA 1.535 63.868 62.300 0.056 0.000 1.115 579 V CB 0.248 32.092 31.823 0.035 0.000 0.934 579 V HN 1.035 nan 8.190 nan 0.000 0.485 580 G N 4.149 112.981 108.800 0.053 0.000 2.284 580 G HA2 -0.247 3.713 3.960 0.000 0.000 0.230 580 G HA3 -0.247 3.713 3.960 0.000 0.000 0.230 580 G C 0.523 175.456 174.900 0.054 0.000 1.021 580 G CA 0.135 45.259 45.100 0.041 0.000 0.619 580 G HN 0.742 nan 8.290 nan 0.000 0.510 581 S N 1.317 117.065 115.700 0.080 0.000 2.568 581 S HA 0.540 5.010 4.470 0.000 0.000 0.282 581 S C 0.911 175.573 174.600 0.103 0.000 1.338 581 S CA 0.270 58.536 58.200 0.111 0.000 1.045 581 S CB 1.216 64.527 63.200 0.185 0.000 0.873 581 S HN 1.613 nan 8.310 nan 0.000 0.516 582 A N 2.263 125.141 122.820 0.096 0.000 2.462 582 A HA 0.476 4.796 4.320 0.000 0.000 0.243 582 A C 0.498 178.116 177.584 0.057 0.000 1.076 582 A CA -0.088 51.989 52.037 0.066 0.000 0.773 582 A CB 0.154 nan 19.000 nan 0.000 1.010 582 A HN 0.675 nan 8.150 nan 0.000 0.493 583 T N 2.738 117.268 114.554 -0.040 0.000 2.861 583 T HA 0.611 4.961 4.350 0.000 0.000 0.287 583 T C -2.823 171.774 174.700 -0.171 0.000 1.003 583 T CA -1.593 60.368 62.100 -0.232 0.000 0.977 583 T CB 0.781 69.480 68.868 -0.281 0.000 0.996 583 T HN 0.465 nan 8.240 nan 0.000 0.448 584 P HA 0.226 nan 4.420 nan 0.000 0.264 584 P C 0.636 177.913 177.300 -0.039 0.000 1.183 584 P CA -0.079 62.989 63.100 -0.054 0.000 0.763 584 P CB 0.497 32.188 31.700 -0.015 0.000 0.807 585 R N 1.185 121.709 120.500 0.040 0.000 2.148 585 R HA -0.045 4.295 4.340 0.000 0.000 0.227 585 R C -0.007 176.326 176.300 0.055 0.000 1.103 585 R CA 1.180 57.314 56.100 0.056 0.000 0.983 585 R CB -0.059 30.315 30.300 0.122 0.000 0.874 585 R HN 0.502 nan 8.270 nan 0.000 0.451 586 Y N -0.209 120.057 120.300 -0.056 0.000 2.326 586 Y HA 0.373 4.923 4.550 0.000 0.000 0.329 586 Y C -0.854 175.076 175.900 0.050 0.000 0.973 586 Y CA -0.807 57.252 58.100 -0.068 0.000 1.162 586 Y CB 1.594 39.962 38.460 -0.152 0.000 1.147 586 Y HN -0.110 nan 8.280 nan 0.000 0.456 587 L N 6.756 128.066 121.223 0.144 0.000 2.376 587 L HA 0.676 5.016 4.340 0.000 0.000 0.275 587 L C -1.666 175.370 176.870 0.278 0.000 0.987 587 L CA -0.666 54.282 54.840 0.181 0.000 0.828 587 L CB 1.056 43.145 42.059 0.049 0.000 1.249 587 L HN 0.622 nan 8.230 nan 0.000 0.409 588 Y N 2.968 123.368 120.300 0.167 0.000 2.597 588 Y HA 0.754 5.305 4.550 0.000 0.000 0.340 588 Y C -1.869 174.215 175.900 0.306 0.000 1.097 588 Y CA -1.506 56.716 58.100 0.203 0.000 1.037 588 Y CB 1.165 39.736 38.460 0.185 0.000 1.305 588 Y HN 0.324 nan 8.280 nan 0.000 0.463 589 L N 3.019 124.475 121.223 0.390 0.000 2.295 589 L HA 0.898 5.238 4.340 0.000 0.000 0.285 589 L C -0.147 177.014 176.870 0.486 0.000 1.035 589 L CA -0.386 54.648 54.840 0.323 0.000 0.806 589 L CB 1.505 43.699 42.059 0.225 0.000 1.214 589 L HN 0.959 nan 8.230 nan 0.000 0.426 590 A N 1.751 124.881 122.820 0.517 0.000 2.556 590 A HA 0.777 5.097 4.320 0.000 0.000 0.294 590 A C -0.662 177.248 177.584 0.543 0.000 1.091 590 A CA -0.534 51.857 52.037 0.590 0.000 0.704 590 A CB 1.746 21.196 19.000 0.750 0.000 1.300 590 A HN 0.505 nan 8.150 nan 0.000 0.406 591 S N -0.183 115.788 115.700 0.451 0.000 2.603 591 S HA 0.147 4.617 4.470 0.000 0.000 0.268 591 S C 1.261 175.997 174.600 0.227 0.000 1.317 591 S CA -0.253 58.168 58.200 0.369 0.000 1.012 591 S CB 0.512 63.880 63.200 0.281 0.000 0.926 591 S HN 0.731 nan 8.310 nan 0.000 0.539 592 N N 1.877 120.626 118.700 0.082 0.000 2.061 592 N HA -0.124 4.616 4.740 0.000 0.000 0.193 592 N C 0.331 175.706 175.510 -0.225 0.000 1.030 592 N CA 1.441 54.304 53.050 -0.311 0.000 0.856 592 N CB -0.614 37.675 38.487 -0.329 0.000 1.023 592 N HN 0.659 nan 8.380 nan 0.000 0.424 593 H N -0.796 118.311 119.070 0.061 0.000 2.607 593 H HA 0.283 4.839 4.556 0.000 0.000 0.367 593 H C 0.191 175.519 175.328 0.000 0.000 1.181 593 H CA 0.026 56.083 56.048 0.015 0.000 1.402 593 H CB 0.710 30.480 29.762 0.013 0.000 1.474 593 H HN -0.009 nan 8.280 nan 0.000 0.596 594 S N 0.974 116.732 115.700 0.097 0.000 2.689 594 S HA 0.200 4.670 4.470 0.000 0.000 0.306 594 S C 0.498 175.065 174.600 -0.055 0.000 1.104 594 S CA -1.047 57.159 58.200 0.010 0.000 0.973 594 S CB 1.401 64.581 63.200 -0.032 0.000 1.121 594 S HN 0.758 nan 8.310 nan 0.000 0.523 595 N N 0.942 119.593 118.700 -0.082 0.000 2.418 595 N HA 0.196 4.936 4.740 0.000 0.000 0.283 595 N C 0.714 176.047 175.510 -0.295 0.000 1.267 595 N CA -0.579 52.365 53.050 -0.177 0.000 0.975 595 N CB 0.071 38.480 38.487 -0.131 0.000 1.167 595 N HN 0.584 nan 8.380 nan 0.000 0.581 596 K N -0.695 119.379 120.400 -0.543 0.000 2.113 596 K HA -0.112 4.208 4.320 0.000 0.000 0.208 596 K C 0.504 176.648 176.600 -0.759 0.000 1.047 596 K CA 1.522 57.312 56.287 -0.828 0.000 0.928 596 K CB -0.184 31.505 32.500 -1.352 0.000 0.716 596 K HN 0.672 nan 8.250 nan 0.000 0.446 597 W N 0.069 121.347 121.300 -0.037 0.000 3.325 597 W HA 0.296 4.956 4.660 0.000 0.000 0.370 597 W C 0.900 177.327 176.519 -0.154 0.000 1.169 597 W CA -0.103 57.210 57.345 -0.053 0.000 1.874 597 W CB 0.259 29.726 29.460 0.011 0.000 1.076 597 W HN 0.242 nan 8.180 nan 0.000 0.684 598 G N 0.420 109.176 108.800 -0.073 0.000 2.148 598 G HA2 -0.270 3.691 3.960 0.000 0.000 0.254 598 G HA3 -0.270 3.691 3.960 0.000 0.000 0.254 598 G C 0.026 174.754 174.900 -0.287 0.000 0.981 598 G CA -0.281 44.713 45.100 -0.176 0.000 0.670 598 G HN 0.432 nan 8.290 nan 0.000 0.528 599 H N 0.595 119.642 119.070 -0.038 0.000 2.467 599 H HA 0.363 4.919 4.556 0.000 0.000 0.331 599 H C -2.263 173.026 175.328 -0.066 0.000 1.120 599 H CA -1.819 54.178 56.048 -0.085 0.000 1.270 599 H CB 1.470 31.154 29.762 -0.131 0.000 1.466 599 H HN 0.069 nan 8.280 nan 0.000 0.504 600 P HA -0.017 nan 4.420 nan 0.000 0.265 600 P C -0.135 177.260 177.300 0.158 0.000 1.187 600 P CA 0.277 63.443 63.100 0.110 0.000 0.766 600 P CB 0.580 32.372 31.700 0.154 0.000 0.820 601 R N 2.073 122.681 120.500 0.181 0.000 2.267 601 R HA 0.542 4.882 4.340 0.000 0.000 0.319 601 R C 0.756 177.308 176.300 0.419 0.000 1.067 601 R CA -0.146 56.080 56.100 0.209 0.000 0.936 601 R CB 0.481 30.827 30.300 0.076 0.000 1.006 601 R HN 0.581 nan 8.270 nan 0.000 0.452 602 G N 1.891 110.944 108.800 0.421 0.000 2.533 602 G HA2 0.504 4.465 3.960 0.000 0.000 0.304 602 G HA3 0.504 4.465 3.960 0.000 0.000 0.304 602 G C -1.800 173.330 174.900 0.383 0.000 1.263 602 G CA -0.377 45.033 45.100 0.517 0.000 0.964 602 G HN 0.396 nan 8.290 nan 0.000 0.479 603 Y N -0.152 120.321 120.300 0.287 0.000 2.462 603 Y HA 0.636 5.186 4.550 0.000 0.000 0.346 603 Y C 0.318 176.354 175.900 0.226 0.000 0.976 603 Y CA -0.848 57.341 58.100 0.149 0.000 1.044 603 Y CB 2.514 40.980 38.460 0.010 0.000 1.230 603 Y HN 0.539 nan 8.280 nan 0.000 0.455 604 R N 4.705 125.335 120.500 0.217 0.000 2.494 604 R HA 0.617 4.957 4.340 0.000 0.000 0.305 604 R C -1.632 174.748 176.300 0.134 0.000 0.959 604 R CA -0.564 55.630 56.100 0.158 0.000 0.864 604 R CB 0.936 31.202 30.300 -0.057 0.000 1.159 604 R HN 0.773 nan 8.270 nan 0.000 0.446 605 I N 3.687 124.328 120.570 0.118 0.000 2.342 605 I HA 0.213 4.383 4.170 0.000 0.000 0.291 605 I C -0.006 176.133 176.117 0.037 0.000 1.010 605 I CA -0.212 61.144 61.300 0.093 0.000 1.308 605 I CB 1.567 39.589 38.000 0.036 0.000 1.400 605 I HN 0.486 nan 8.210 nan 0.000 0.488 606 Q N 7.427 127.283 119.800 0.092 0.000 2.321 606 Q HA 0.519 4.859 4.340 0.000 0.000 0.270 606 Q C -1.470 174.627 176.000 0.161 0.000 1.032 606 Q CA -0.749 55.085 55.803 0.051 0.000 0.784 606 Q CB 2.009 30.742 28.738 -0.009 0.000 1.264 606 Q HN 0.624 nan 8.270 nan 0.000 0.448 607 M N 3.713 123.369 119.600 0.094 0.000 2.149 607 M HA 0.414 4.895 4.480 0.000 0.000 0.342 607 M C -0.346 176.013 176.300 0.099 0.000 1.068 607 M CA -0.368 55.006 55.300 0.123 0.000 0.991 607 M CB 1.383 34.025 32.600 0.071 0.000 1.596 607 M HN 0.620 nan 8.290 nan 0.000 0.439 608 L N 2.849 124.133 121.223 0.102 0.000 2.352 608 L HA 0.673 5.013 4.340 0.000 0.000 0.272 608 L C -0.003 176.885 176.870 0.030 0.000 1.109 608 L CA -0.113 54.752 54.840 0.041 0.000 0.952 608 L CB 0.023 42.083 42.059 0.001 0.000 1.314 608 L HN 0.799 nan 8.230 nan 0.000 0.427 609 S N 1.294 117.025 115.700 0.051 0.000 2.546 609 S HA 0.797 5.267 4.470 0.000 0.000 0.272 609 S C -0.280 174.365 174.600 0.075 0.000 1.140 609 S CA 0.414 58.666 58.200 0.086 0.000 0.920 609 S CB 1.256 64.545 63.200 0.147 0.000 1.083 609 S HN 1.693 nan 8.310 nan 0.000 0.476 610 F N 1.517 121.523 119.950 0.094 0.000 2.925 610 F HA 0.787 5.314 4.527 0.000 0.000 0.302 610 F C 0.926 176.805 175.800 0.133 0.000 1.189 610 F CA -0.543 57.511 58.000 0.091 0.000 1.346 610 F CB -1.160 37.877 39.000 0.061 0.000 0.954 610 F HN 1.094 nan 8.300 nan 0.000 0.506 611 A N 1.255 124.156 122.820 0.135 0.000 2.584 611 A HA 0.433 4.754 4.320 0.000 0.000 0.239 611 A C 1.268 178.902 177.584 0.084 0.000 1.043 611 A CA 0.558 52.676 52.037 0.134 0.000 0.756 611 A CB -0.602 18.479 19.000 0.136 0.000 0.963 611 A HN 1.703 nan 8.150 nan 0.000 0.511 612 G N 1.235 110.069 108.800 0.056 0.000 2.606 612 G HA2 0.427 4.387 3.960 0.000 0.000 0.252 612 G HA3 0.427 4.387 3.960 0.000 0.000 0.252 612 G C 0.113 175.010 174.900 -0.005 0.000 1.206 612 G CA -0.174 44.932 45.100 0.009 0.000 0.861 612 G HN 0.983 nan 8.290 nan 0.000 0.561 613 E N 1.082 121.272 120.200 -0.017 0.000 2.415 613 E HA 0.200 4.550 4.350 0.000 0.000 0.263 613 E C -1.693 174.883 176.600 -0.040 0.000 0.995 613 E CA -1.029 55.358 56.400 -0.023 0.000 0.915 613 E CB 0.558 30.245 29.700 -0.022 0.000 0.951 613 E HN 0.239 nan 8.360 nan 0.000 0.449 614 P HA 0.103 nan 4.420 nan 0.000 0.279 614 P C -0.674 176.599 177.300 -0.044 0.000 1.252 614 P CA -0.689 62.374 63.100 -0.061 0.000 0.811 614 P CB 0.671 32.325 31.700 -0.077 0.000 1.035 615 L N 3.862 125.073 121.223 -0.021 0.000 2.578 615 L HA 0.108 4.448 4.340 0.000 0.000 0.279 615 L C -2.074 174.786 176.870 -0.016 0.000 1.227 615 L CA -0.871 53.978 54.840 0.014 0.000 0.900 615 L CB -1.003 41.129 42.059 0.122 0.000 1.144 615 L HN 0.304 nan 8.230 nan 0.000 0.496 616 P HA 0.037 nan 4.420 nan 0.000 0.266 616 P C -0.076 177.194 177.300 -0.050 0.000 1.195 616 P CA -0.053 63.027 63.100 -0.034 0.000 0.768 616 P CB 0.464 32.152 31.700 -0.020 0.000 0.838 617 Q N 1.451 121.214 119.800 -0.062 0.000 2.124 617 Q HA -0.218 4.122 4.340 0.000 0.000 0.202 617 Q C 1.450 177.419 176.000 -0.052 0.000 0.977 617 Q CA 1.379 57.138 55.803 -0.072 0.000 0.850 617 Q CB -0.478 28.219 28.738 -0.069 0.000 0.901 617 Q HN 0.461 nan 8.270 nan 0.000 0.429 618 N N 0.759 119.439 118.700 -0.034 0.000 2.242 618 N HA -0.133 4.607 4.740 0.000 0.000 0.193 618 N C 0.387 175.891 175.510 -0.011 0.000 1.000 618 N CA 0.843 53.881 53.050 -0.020 0.000 0.885 618 N CB -0.166 38.314 38.487 -0.013 0.000 0.988 618 N HN 0.028 nan 8.380 nan 0.000 0.444 619 S N -0.670 115.020 115.700 -0.017 0.000 2.505 619 S HA 0.156 4.626 4.470 0.000 0.000 0.276 619 S C 1.382 175.973 174.600 -0.014 0.000 1.274 619 S CA -0.218 57.982 58.200 -0.001 0.000 1.053 619 S CB 0.566 63.765 63.200 -0.002 0.000 0.919 619 S HN 0.382 nan 8.310 nan 0.000 0.490 620 S N 5.758 121.490 115.700 0.053 0.000 2.383 620 S HA -0.204 4.266 4.470 0.000 0.000 0.229 620 S C 1.865 176.472 174.600 0.011 0.000 1.030 620 S CA 1.296 59.552 58.200 0.094 0.000 1.002 620 S CB -0.580 62.762 63.200 0.237 0.000 0.829 620 S HN 0.829 nan 8.310 nan 0.000 0.467 621 M N 1.619 121.183 119.600 -0.059 0.000 2.279 621 M HA -0.054 4.426 4.480 0.000 0.000 0.264 621 M C 2.309 178.232 176.300 -0.628 0.000 1.062 621 M CA 1.384 56.447 55.300 -0.396 0.000 1.099 621 M CB -0.539 31.913 32.600 -0.247 0.000 1.394 621 M HN 0.518 nan 8.290 nan 0.000 0.426 622 A N 0.817 123.331 122.820 -0.509 0.000 1.940 622 A HA -0.229 4.091 4.320 0.000 0.000 0.219 622 A C 2.287 179.390 177.584 -0.802 0.000 1.176 622 A CA 2.429 54.031 52.037 -0.724 0.000 0.631 622 A CB -1.241 17.563 19.000 -0.327 0.000 0.814 622 A HN 0.633 nan 8.150 nan 0.000 0.446 623 R N -0.615 119.601 120.500 -0.474 0.000 2.200 623 R HA -0.042 4.298 4.340 0.000 0.000 0.234 623 R C 2.328 178.405 176.300 -0.371 0.000 1.127 623 R CA 2.031 57.935 56.100 -0.326 0.000 0.989 623 R CB -2.052 28.140 30.300 -0.180 0.000 0.869 623 R HN 0.809 nan 8.270 nan 0.000 0.459 624 G N -0.284 108.181 108.800 -0.558 0.000 2.559 624 G HA2 0.157 4.117 3.960 0.000 0.000 0.216 624 G HA3 0.157 4.117 3.960 0.000 0.000 0.216 624 G C 0.538 175.293 174.900 -0.241 0.000 1.126 624 G CA 0.824 45.691 45.100 -0.388 0.000 0.778 624 G HN 0.892 nan 8.290 nan 0.000 0.543 625 F N -1.016 118.795 119.950 -0.232 0.000 2.514 625 F HA 0.335 4.862 4.527 0.000 0.000 0.374 625 F C 1.092 176.478 175.800 -0.690 0.000 1.532 625 F CA -0.797 56.908 58.000 -0.491 0.000 1.082 625 F CB -0.393 38.252 39.000 -0.591 0.000 1.610 625 F HN -0.030 nan 8.300 nan 0.000 0.531 626 S N -0.175 115.343 115.700 -0.303 0.000 2.474 626 S HA -0.166 4.304 4.470 0.000 0.000 0.235 626 S C 1.675 176.295 174.600 0.033 0.000 0.997 626 S CA 0.707 58.819 58.200 -0.146 0.000 0.949 626 S CB -0.812 62.369 63.200 -0.032 0.000 0.766 626 S HN 0.783 nan 8.310 nan 0.000 0.517 627 W N 2.024 123.328 121.300 0.006 0.000 2.341 627 W HA -0.057 4.603 4.660 0.000 0.000 0.283 627 W C 1.527 178.002 176.519 -0.073 0.000 1.215 627 W CA 0.956 58.144 57.345 -0.262 0.000 1.211 627 W CB -0.921 27.695 29.460 -1.407 0.000 1.131 627 W HN 0.406 nan 8.180 nan 0.000 0.552 628 E N 1.320 121.171 120.200 -0.582 0.000 2.171 628 E HA -0.231 4.119 4.350 0.000 0.000 0.197 628 E C 2.144 178.686 176.600 -0.096 0.000 0.997 628 E CA 1.675 57.819 56.400 -0.426 0.000 0.810 628 E CB -0.150 29.222 29.700 -0.548 0.000 0.738 628 E HN 0.389 nan 8.360 nan 0.000 0.467 629 R N -0.928 119.512 120.500 -0.099 0.000 2.235 629 R HA -0.032 4.308 4.340 0.000 0.000 0.213 629 R C 0.168 176.309 176.300 -0.265 0.000 1.059 629 R CA 0.431 56.397 56.100 -0.224 0.000 0.997 629 R CB 0.069 30.136 30.300 -0.389 0.000 0.884 629 R HN 0.112 nan 8.270 nan 0.000 0.462 630 Y N 0.204 120.586 120.300 0.136 0.000 2.419 630 Y HA 0.155 4.705 4.550 0.000 0.000 0.328 630 Y C 1.428 177.470 175.900 0.238 0.000 1.162 630 Y CA -0.758 57.469 58.100 0.212 0.000 1.174 630 Y CB 1.259 39.900 38.460 0.302 0.000 1.228 630 Y HN -0.180 nan 8.280 nan 0.000 0.473 631 Q N 1.045 121.083 119.800 0.396 0.000 2.165 631 Q HA 0.170 4.510 4.340 0.000 0.000 0.197 631 Q C -0.674 175.521 176.000 0.324 0.000 0.952 631 Q CA 0.564 56.552 55.803 0.308 0.000 0.848 631 Q CB 0.656 29.528 28.738 0.224 0.000 0.931 631 Q HN 0.522 nan 8.270 nan 0.000 0.470 632 L N -1.223 120.245 121.223 0.409 0.000 2.556 632 L HA 0.724 5.064 4.340 0.000 0.000 0.257 632 L C -2.292 174.847 176.870 0.447 0.000 0.955 632 L CA -0.642 54.417 54.840 0.366 0.000 0.850 632 L CB 2.232 44.457 42.059 0.277 0.000 1.398 632 L HN -0.065 nan 8.230 nan 0.000 0.412 633 A N 3.465 126.519 122.820 0.389 0.000 2.517 633 A HA 0.794 5.114 4.320 0.000 0.000 0.297 633 A C -1.877 175.928 177.584 0.368 0.000 1.050 633 A CA -0.501 51.731 52.037 0.325 0.000 0.694 633 A CB 1.875 21.015 19.000 0.233 0.000 1.277 633 A HN 0.698 nan 8.150 nan 0.000 0.400 634 V N 2.471 122.531 119.914 0.243 0.000 2.409 634 V HA 0.763 4.883 4.120 0.000 0.000 0.291 634 V C 0.354 176.553 176.094 0.175 0.000 1.020 634 V CA 0.107 62.529 62.300 0.202 0.000 0.848 634 V CB 1.463 33.354 31.823 0.113 0.000 0.990 634 V HN 1.196 nan 8.190 nan 0.000 0.430 635 T N 1.395 116.095 114.554 0.245 0.000 2.916 635 T HA 0.561 4.911 4.350 0.000 0.000 0.292 635 T C -0.488 174.279 174.700 0.112 0.000 1.064 635 T CA -0.896 61.316 62.100 0.186 0.000 1.011 635 T CB 1.635 70.685 68.868 0.304 0.000 1.152 635 T HN 0.507 nan 8.240 nan 0.000 0.510 636 Q N 0.918 120.743 119.800 0.041 0.000 2.330 636 Q HA 0.130 4.470 4.340 0.000 0.000 0.279 636 Q C 0.256 176.273 176.000 0.028 0.000 1.024 636 Q CA -0.001 55.799 55.803 -0.005 0.000 0.900 636 Q CB 0.732 29.446 28.738 -0.040 0.000 1.221 636 Q HN 0.409 nan 8.270 nan 0.000 0.396 637 R N 2.658 123.157 120.500 -0.002 0.000 2.389 637 R HA 0.171 4.511 4.340 0.000 0.000 0.295 637 R C -0.868 175.420 176.300 -0.019 0.000 1.075 637 R CA 0.295 56.399 56.100 0.006 0.000 1.005 637 R CB 0.492 30.773 30.300 -0.032 0.000 0.987 637 R HN 0.503 nan 8.270 nan 0.000 0.452 638 K N 2.959 123.352 120.400 -0.012 0.000 2.525 638 K HA 0.125 4.445 4.320 0.000 0.000 0.254 638 K C 0.073 176.662 176.600 -0.018 0.000 0.934 638 K CA -0.886 55.378 56.287 -0.039 0.000 0.802 638 K CB 2.004 34.454 32.500 -0.084 0.000 1.295 638 K HN 0.476 nan 8.250 nan 0.000 0.433 639 E N 1.793 121.987 120.200 -0.010 0.000 2.085 639 E HA -0.210 4.141 4.350 0.000 0.000 0.194 639 E C 1.302 177.913 176.600 0.018 0.000 0.994 639 E CA 1.451 57.861 56.400 0.018 0.000 0.801 639 E CB 0.276 29.985 29.700 0.014 0.000 0.743 639 E HN 0.654 nan 8.360 nan 0.000 0.453 640 E N 0.989 121.179 120.200 -0.017 0.000 2.516 640 E HA -0.114 4.236 4.350 0.000 0.000 0.199 640 E C -0.074 176.486 176.600 -0.068 0.000 1.069 640 E CA 0.467 56.851 56.400 -0.027 0.000 0.876 640 E CB -0.155 29.523 29.700 -0.036 0.000 0.843 640 E HN 0.212 nan 8.360 nan 0.000 0.530 641 E N 1.484 121.615 120.200 -0.115 0.000 3.786 641 E HA 0.149 4.499 4.350 0.000 0.000 0.215 641 E C -1.938 174.704 176.600 0.069 0.000 1.188 641 E CA -1.446 54.784 56.400 -0.283 0.000 1.248 641 E CB 1.167 30.395 29.700 -0.786 0.000 1.260 641 E HN 0.144 nan 8.360 nan 0.000 0.426 642 P HA 0.020 nan 4.420 nan 0.000 0.227 642 P C 0.040 177.598 177.300 0.430 0.000 1.161 642 P CA 0.451 63.722 63.100 0.285 0.000 0.788 642 P CB 0.642 32.480 31.700 0.230 0.000 0.822 643 S N -1.118 114.875 115.700 0.489 0.000 2.541 643 S HA 0.269 4.739 4.470 0.000 0.000 0.271 643 S C 0.735 175.599 174.600 0.440 0.000 1.133 643 S CA -0.337 58.148 58.200 0.475 0.000 0.876 643 S CB 1.781 65.166 63.200 0.308 0.000 1.105 643 S HN 0.042 nan 8.310 nan 0.000 0.470 644 S N 0.463 116.293 115.700 0.217 0.000 2.496 644 S HA 0.203 4.673 4.470 0.000 0.000 0.224 644 S C 0.852 175.432 174.600 -0.034 0.000 0.996 644 S CA 0.222 58.354 58.200 -0.114 0.000 0.927 644 S CB 0.105 63.077 63.200 -0.380 0.000 0.774 644 S HN 0.468 nan 8.310 nan 0.000 0.524 645 S N -0.190 115.539 115.700 0.048 0.000 2.851 645 S HA 0.786 5.256 4.470 0.000 0.000 0.317 645 S C -1.204 173.464 174.600 0.112 0.000 1.144 645 S CA -0.374 57.880 58.200 0.090 0.000 0.862 645 S CB 1.897 65.135 63.200 0.063 0.000 1.259 645 S HN 0.416 nan 8.310 nan 0.000 0.564 646 S N -0.217 115.531 115.700 0.080 0.000 2.537 646 S HA 0.376 4.846 4.470 0.000 0.000 0.270 646 S C 0.269 174.803 174.600 -0.110 0.000 1.142 646 S CA -0.191 58.022 58.200 0.022 0.000 0.870 646 S CB 1.254 64.505 63.200 0.084 0.000 1.112 646 S HN 0.857 nan 8.310 nan 0.000 0.466 647 V N 3.904 123.598 119.914 -0.367 0.000 2.867 647 V HA 0.069 4.189 4.120 0.000 0.000 0.260 647 V C 0.760 176.526 176.094 -0.547 0.000 1.099 647 V CA 1.741 63.709 62.300 -0.553 0.000 1.122 647 V CB -0.880 30.299 31.823 -1.073 0.000 0.708 647 V HN 0.787 nan 8.190 nan 0.000 0.490 648 F N 0.084 119.963 119.950 -0.119 0.000 2.765 648 F HA 0.271 4.798 4.527 0.000 0.000 0.302 648 F C 1.766 177.511 175.800 -0.092 0.000 1.111 648 F CA 0.090 58.005 58.000 -0.140 0.000 1.359 648 F CB -0.752 38.139 39.000 -0.181 0.000 1.097 648 F HN 0.235 nan 8.300 nan 0.000 0.577 649 N N 0.122 118.860 118.700 0.063 0.000 2.290 649 N HA -0.125 4.615 4.740 0.000 0.000 0.179 649 N C 1.910 177.439 175.510 0.032 0.000 1.016 649 N CA 0.611 53.692 53.050 0.052 0.000 0.871 649 N CB -0.312 38.222 38.487 0.080 0.000 0.987 649 N HN 0.158 nan 8.380 nan 0.000 0.431 650 Q N 1.037 120.869 119.800 0.053 0.000 2.133 650 Q HA -0.090 4.250 4.340 0.000 0.000 0.208 650 Q C 0.961 176.975 176.000 0.024 0.000 0.991 650 Q CA 1.731 57.577 55.803 0.072 0.000 0.867 650 Q CB -0.214 28.587 28.738 0.105 0.000 0.911 650 Q HN 0.273 nan 8.270 nan 0.000 0.417 651 N N -0.326 118.389 118.700 0.024 0.000 2.415 651 N HA 0.005 4.745 4.740 0.000 0.000 0.176 651 N C -0.542 175.043 175.510 0.125 0.000 1.042 651 N CA 0.772 53.857 53.050 0.058 0.000 0.902 651 N CB 0.420 38.928 38.487 0.036 0.000 0.986 651 N HN 0.201 nan 8.380 nan 0.000 0.447 652 D N -0.221 120.227 120.400 0.079 0.000 2.552 652 D HA 0.190 4.830 4.640 0.000 0.000 0.285 652 D C -2.067 174.221 176.300 -0.020 0.000 1.206 652 D CA -1.665 52.436 54.000 0.169 0.000 0.826 652 D CB 1.227 42.201 40.800 0.289 0.000 1.179 652 D HN -0.003 nan 8.370 nan 0.000 0.508 653 P HA -0.011 nan 4.420 nan 0.000 0.231 653 P C 1.426 178.505 177.300 -0.369 0.000 1.168 653 P CA 0.306 63.168 63.100 -0.397 0.000 0.779 653 P CB 0.113 31.472 31.700 -0.568 0.000 0.844 654 W N 1.022 122.306 121.300 -0.027 0.000 2.402 654 W HA 0.153 4.813 4.660 0.000 0.000 0.286 654 W C 1.066 177.567 176.519 -0.030 0.000 1.221 654 W CA 0.725 58.045 57.345 -0.042 0.000 1.257 654 W CB -0.813 28.630 29.460 -0.029 0.000 1.120 654 W HN -0.007 nan 8.180 nan 0.000 0.551 655 A N 1.556 124.510 122.820 0.223 0.000 3.165 655 A HA 0.344 4.664 4.320 0.000 0.000 0.331 655 A C -2.291 175.334 177.584 0.069 0.000 1.034 655 A CA -1.150 50.968 52.037 0.134 0.000 0.906 655 A CB -0.557 18.542 19.000 0.166 0.000 1.054 655 A HN -0.244 nan 8.150 nan 0.000 0.484 656 P HA 0.026 nan 4.420 nan 0.000 0.265 656 P C 0.801 178.111 177.300 0.018 0.000 1.193 656 P CA 0.552 63.651 63.100 -0.002 0.000 0.765 656 P CB 0.912 32.588 31.700 -0.039 0.000 0.823 657 T N 1.205 115.770 114.554 0.019 0.000 2.770 657 T HA 0.014 4.364 4.350 0.000 0.000 0.263 657 T C 0.901 175.633 174.700 0.054 0.000 1.039 657 T CA 0.990 63.082 62.100 -0.013 0.000 1.142 657 T CB -0.013 68.834 68.868 -0.034 0.000 0.868 657 T HN 0.235 nan 8.240 nan 0.000 0.435 658 V N 2.120 122.088 119.914 0.090 0.000 2.459 658 V HA 0.495 4.615 4.120 0.000 0.000 0.295 658 V C -0.963 175.168 176.094 0.061 0.000 1.029 658 V CA -1.045 61.335 62.300 0.134 0.000 0.874 658 V CB 1.795 33.727 31.823 0.181 0.000 0.985 658 V HN 0.235 nan 8.190 nan 0.000 0.438 659 D N 2.693 123.110 120.400 0.027 0.000 2.440 659 D HA 0.248 4.888 4.640 0.000 0.000 0.252 659 D C 0.400 176.578 176.300 -0.202 0.000 1.180 659 D CA -0.601 53.370 54.000 -0.049 0.000 0.894 659 D CB 1.068 41.848 40.800 -0.033 0.000 1.111 659 D HN 0.306 nan 8.370 nan 0.000 0.544 660 F N 3.498 123.190 119.950 -0.431 0.000 2.120 660 F HA -0.220 4.308 4.527 0.000 0.000 0.300 660 F C 2.269 177.678 175.800 -0.651 0.000 1.095 660 F CA 2.214 59.709 58.000 -0.842 0.000 1.249 660 F CB -0.386 38.297 39.000 -0.527 0.000 0.995 660 F HN 0.416 nan 8.300 nan 0.000 0.480 661 S N -0.256 115.203 115.700 -0.400 0.000 2.402 661 S HA -0.256 4.214 4.470 0.000 0.000 0.233 661 S C 1.691 176.098 174.600 -0.321 0.000 1.030 661 S CA 1.530 59.527 58.200 -0.338 0.000 1.003 661 S CB -0.943 62.233 63.200 -0.040 0.000 0.813 661 S HN 0.486 nan 8.310 nan 0.000 0.477 662 D N 1.150 121.421 120.400 -0.216 0.000 2.265 662 D HA -0.048 4.593 4.640 0.000 0.000 0.208 662 D C 1.438 177.770 176.300 0.053 0.000 0.977 662 D CA 0.915 54.889 54.000 -0.043 0.000 0.871 662 D CB -0.523 40.315 40.800 0.064 0.000 0.925 662 D HN 0.622 nan 8.370 nan 0.000 0.485 663 F N 0.285 119.990 119.950 -0.409 0.000 2.325 663 F HA 0.031 4.558 4.527 0.000 0.000 0.299 663 F C 1.206 176.810 175.800 -0.326 0.000 1.090 663 F CA -0.165 57.608 58.000 -0.379 0.000 1.392 663 F CB 0.105 38.762 39.000 -0.573 0.000 1.053 663 F HN -0.182 nan 8.300 nan 0.000 0.521 664 I N 2.936 123.374 120.570 -0.220 0.000 2.294 664 I HA -0.007 4.163 4.170 0.000 0.000 0.295 664 I C 0.282 176.338 176.117 -0.102 0.000 1.098 664 I CA 0.120 61.308 61.300 -0.186 0.000 1.277 664 I CB 0.069 37.902 38.000 -0.279 0.000 1.434 664 I HN 0.216 nan 8.210 nan 0.000 0.498 665 N N 5.887 124.547 118.700 -0.066 0.000 2.475 665 N HA 0.019 4.759 4.740 0.000 0.000 0.272 665 N C -0.027 175.460 175.510 -0.039 0.000 1.482 665 N CA -0.375 52.648 53.050 -0.045 0.000 0.863 665 N CB 0.179 38.645 38.487 -0.035 0.000 1.400 665 N HN 0.546 nan 8.380 nan 0.000 0.489 666 N N 0.983 119.659 118.700 -0.042 0.000 2.771 666 N HA -0.170 4.570 4.740 0.000 0.000 0.249 666 N C -1.290 174.198 175.510 -0.036 0.000 1.069 666 N CA 1.049 54.077 53.050 -0.036 0.000 0.688 666 N CB -0.827 37.643 38.487 -0.029 0.000 0.928 666 N HN 0.665 nan 8.380 nan 0.000 0.551 667 E N -1.170 119.005 120.200 -0.042 0.000 2.334 667 E HA 0.453 4.803 4.350 0.000 0.000 0.256 667 E C -0.035 176.533 176.600 -0.052 0.000 0.958 667 E CA -0.966 55.407 56.400 -0.045 0.000 0.821 667 E CB 0.874 30.546 29.700 -0.048 0.000 1.269 667 E HN 0.153 nan 8.360 nan 0.000 0.413 668 T N 0.501 115.018 114.554 -0.060 0.000 2.907 668 T HA 0.290 4.640 4.350 0.000 0.000 0.298 668 T C 0.538 175.176 174.700 -0.104 0.000 1.017 668 T CA -0.310 61.743 62.100 -0.077 0.000 1.118 668 T CB 0.077 68.896 68.868 -0.081 0.000 0.948 668 T HN 0.504 nan 8.240 nan 0.000 0.531 669 I N 1.795 122.291 120.570 -0.124 0.000 3.833 669 I HA 0.558 4.728 4.170 0.000 0.000 0.328 669 I C 0.616 176.568 176.117 -0.275 0.000 1.554 669 I CA -0.914 60.287 61.300 -0.164 0.000 1.116 669 I CB 0.208 38.145 38.000 -0.105 0.000 1.182 669 I HN 0.505 nan 8.210 nan 0.000 0.459 670 A N 1.873 124.518 122.820 -0.291 0.000 2.910 670 A HA 0.663 4.984 4.320 0.000 0.000 0.316 670 A C 1.152 178.204 177.584 -0.887 0.000 1.493 670 A CA 0.227 52.006 52.037 -0.431 0.000 1.150 670 A CB -0.889 18.091 19.000 -0.033 0.000 1.159 670 A HN 1.051 nan 8.150 nan 0.000 0.526 671 G N 1.408 109.157 108.800 -1.752 0.000 2.270 671 G HA2 -0.133 3.827 3.960 0.000 0.000 0.224 671 G HA3 -0.133 3.827 3.960 0.000 0.000 0.224 671 G C -0.173 174.254 174.900 -0.787 0.000 1.079 671 G CA -0.100 43.880 45.100 -1.867 0.000 0.807 671 G HN 0.593 nan 8.290 nan 0.000 0.492 672 K N -0.221 119.839 120.400 -0.568 0.000 2.331 672 K HA 0.521 4.841 4.320 0.000 0.000 0.238 672 K C -0.601 175.863 176.600 -0.227 0.000 1.058 672 K CA -1.080 55.024 56.287 -0.304 0.000 0.871 672 K CB 0.896 33.264 32.500 -0.219 0.000 1.292 672 K HN 0.101 nan 8.250 nan 0.000 0.470 673 D N 1.822 122.136 120.400 -0.143 0.000 2.346 673 D HA 0.149 4.790 4.640 0.000 0.000 0.260 673 D C -0.497 175.749 176.300 -0.091 0.000 1.252 673 D CA 0.147 54.087 54.000 -0.100 0.000 0.895 673 D CB 0.008 40.757 40.800 -0.086 0.000 1.097 673 D HN 0.271 nan 8.370 nan 0.000 0.489 674 L N 2.871 124.046 121.223 -0.079 0.000 2.332 674 L HA 0.628 4.968 4.340 0.000 0.000 0.269 674 L C -0.131 176.702 176.870 -0.062 0.000 1.016 674 L CA -1.180 53.624 54.840 -0.061 0.000 0.809 674 L CB 2.048 44.074 42.059 -0.056 0.000 1.280 674 L HN 0.136 nan 8.230 nan 0.000 0.447 675 V N 1.024 120.896 119.914 -0.069 0.000 2.711 675 V HA 0.753 4.873 4.120 0.000 0.000 0.304 675 V C -0.735 175.202 176.094 -0.261 0.000 1.097 675 V CA -0.307 61.869 62.300 -0.206 0.000 0.906 675 V CB 1.830 33.472 31.823 -0.302 0.000 1.015 675 V HN 0.839 nan 8.190 nan 0.000 0.427 676 A N 6.051 128.691 122.820 -0.299 0.000 2.310 676 A HA 0.821 5.141 4.320 0.000 0.000 0.299 676 A C -1.304 176.045 177.584 -0.391 0.000 1.147 676 A CA -0.408 51.511 52.037 -0.197 0.000 0.818 676 A CB 0.598 19.524 19.000 -0.123 0.000 1.096 676 A HN 0.962 nan 8.150 nan 0.000 0.495 677 W N 2.091 123.376 121.300 -0.026 0.000 2.424 677 W HA 0.522 5.182 4.660 0.000 0.000 0.318 677 W C -0.852 175.576 176.519 -0.151 0.000 1.016 677 W CA -0.543 56.705 57.345 -0.160 0.000 1.268 677 W CB 1.737 31.210 29.460 0.023 0.000 1.297 677 W HN 0.413 nan 8.180 nan 0.000 0.428 678 V N 3.284 123.117 119.914 -0.135 0.000 2.398 678 V HA 0.518 4.638 4.120 0.000 0.000 0.286 678 V C 0.120 176.324 176.094 0.183 0.000 1.026 678 V CA -0.606 61.637 62.300 -0.095 0.000 0.868 678 V CB 1.525 32.959 31.823 -0.649 0.000 0.982 678 V HN 0.448 nan 8.190 nan 0.000 0.443 679 T N 4.234 119.002 114.554 0.357 0.000 2.829 679 T HA 0.772 5.122 4.350 0.000 0.000 0.282 679 T C -0.093 174.853 174.700 0.408 0.000 0.990 679 T CA -0.248 62.148 62.100 0.494 0.000 1.028 679 T CB 1.548 70.734 68.868 0.529 0.000 0.951 679 T HN 0.994 nan 8.240 nan 0.000 0.460 680 A N 1.877 124.992 122.820 0.492 0.000 2.486 680 A HA 1.000 5.320 4.320 0.000 0.000 0.300 680 A C -0.057 177.843 177.584 0.526 0.000 1.048 680 A CA -0.403 51.911 52.037 0.463 0.000 0.696 680 A CB 1.846 21.148 19.000 0.504 0.000 1.278 680 A HN 1.179 nan 8.150 nan 0.000 0.405 681 G N -0.367 108.685 108.800 0.420 0.000 2.427 681 G HA2 0.789 4.749 3.960 0.000 0.000 0.306 681 G HA3 0.789 4.749 3.960 0.000 0.000 0.306 681 G C -1.197 173.946 174.900 0.404 0.000 1.280 681 G CA 0.211 45.561 45.100 0.416 0.000 0.837 681 G HN 2.066 nan 8.290 nan 0.000 0.482 682 F N -2.169 117.856 119.950 0.126 0.000 2.770 682 F HA 0.768 5.295 4.527 0.000 0.000 0.313 682 F C -1.690 174.139 175.800 0.048 0.000 1.154 682 F CA -1.416 56.615 58.000 0.051 0.000 0.923 682 F CB 1.359 40.351 39.000 -0.014 0.000 1.301 682 F HN 0.699 nan 8.300 nan 0.000 0.449 683 L N 2.236 123.543 121.223 0.140 0.000 2.307 683 L HA 0.528 4.868 4.340 0.000 0.000 0.282 683 L C -1.111 175.847 176.870 0.146 0.000 1.051 683 L CA -0.054 54.794 54.840 0.012 0.000 0.804 683 L CB 1.062 43.131 42.059 0.016 0.000 1.197 683 L HN 0.851 nan 8.230 nan 0.000 0.431 684 H N 5.481 124.423 119.070 -0.213 0.000 2.800 684 H HA 0.467 5.023 4.556 0.000 0.000 0.322 684 H C -1.146 174.038 175.328 -0.239 0.000 0.979 684 H CA -0.921 55.022 56.048 -0.174 0.000 1.277 684 H CB 1.123 30.717 29.762 -0.279 0.000 1.484 684 H HN 0.656 nan 8.280 nan 0.000 0.512 685 I N 8.153 128.808 120.570 0.141 0.000 2.306 685 I HA 0.218 4.388 4.170 0.000 0.000 0.288 685 I C -2.256 173.934 176.117 0.123 0.000 1.036 685 I CA -2.026 59.301 61.300 0.044 0.000 1.221 685 I CB 1.217 39.263 38.000 0.077 0.000 1.385 685 I HN 0.432 nan 8.210 nan 0.000 0.472 686 P HA 0.084 nan 4.420 nan 0.000 0.270 686 P C -0.927 176.413 177.300 0.066 0.000 1.223 686 P CA 0.379 63.393 63.100 -0.143 0.000 0.785 686 P CB 0.455 32.038 31.700 -0.196 0.000 0.923 687 H N -1.328 117.779 119.070 0.061 0.000 2.990 687 H HA 0.464 5.020 4.556 0.000 0.000 0.336 687 H C 0.551 175.901 175.328 0.036 0.000 1.306 687 H CA -0.838 55.233 56.048 0.039 0.000 1.118 687 H CB 0.494 30.281 29.762 0.043 0.000 1.856 687 H HN 0.347 nan 8.280 nan 0.000 0.538 688 A N 0.642 123.543 122.820 0.135 0.000 1.958 688 A HA -0.251 4.070 4.320 0.000 0.000 0.221 688 A C 1.649 179.254 177.584 0.035 0.000 1.178 688 A CA 2.273 54.347 52.037 0.062 0.000 0.642 688 A CB -0.825 18.218 19.000 0.072 0.000 0.816 688 A HN 0.745 nan 8.150 nan 0.000 0.453 689 E N 0.431 120.690 120.200 0.099 0.000 2.478 689 E HA -0.048 4.302 4.350 0.000 0.000 0.198 689 E C 0.682 177.248 176.600 -0.057 0.000 1.046 689 E CA 0.691 57.130 56.400 0.065 0.000 0.870 689 E CB -0.054 29.756 29.700 0.183 0.000 0.818 689 E HN 0.566 nan 8.360 nan 0.000 0.527 690 D N 0.114 120.401 120.400 -0.187 0.000 2.363 690 D HA -0.031 4.609 4.640 0.000 0.000 0.226 690 D C -0.012 176.231 176.300 -0.096 0.000 1.020 690 D CA 0.472 54.381 54.000 -0.153 0.000 0.892 690 D CB 0.401 41.105 40.800 -0.161 0.000 0.900 690 D HN 0.133 nan 8.370 nan 0.000 0.531 691 I N 2.353 122.884 120.570 -0.066 0.000 2.362 691 I HA 0.126 4.296 4.170 0.000 0.000 0.289 691 I C -1.286 174.808 176.117 -0.038 0.000 0.994 691 I CA -2.235 59.041 61.300 -0.040 0.000 1.158 691 I CB 1.539 39.533 38.000 -0.010 0.000 1.315 691 I HN -0.264 nan 8.210 nan 0.000 0.451 692 P HA 0.017 nan 4.420 nan 0.000 0.217 692 P C 0.132 177.223 177.300 -0.348 0.000 1.154 692 P CA 0.943 63.970 63.100 -0.121 0.000 0.841 692 P CB 0.777 32.405 31.700 -0.119 0.000 0.790 693 N N -1.076 117.427 118.700 -0.328 0.000 2.362 693 N HA 0.261 5.001 4.740 0.000 0.000 0.299 693 N C -0.686 174.708 175.510 -0.193 0.000 1.170 693 N CA -0.533 52.301 53.050 -0.360 0.000 0.825 693 N CB 1.461 39.722 38.487 -0.378 0.000 1.299 693 N HN -0.223 nan 8.380 nan 0.000 0.502 694 T N 1.097 115.560 114.554 -0.151 0.000 2.834 694 T HA 0.148 4.498 4.350 0.000 0.000 0.298 694 T C 0.543 175.171 174.700 -0.120 0.000 0.966 694 T CA -0.557 61.486 62.100 -0.096 0.000 1.141 694 T CB 0.350 69.204 68.868 -0.024 0.000 0.905 694 T HN 0.301 nan 8.240 nan 0.000 0.535 695 V N 2.120 121.970 119.914 -0.107 0.000 2.834 695 V HA 0.366 4.486 4.120 0.000 0.000 0.301 695 V C 1.441 177.465 176.094 -0.117 0.000 1.066 695 V CA -0.137 62.099 62.300 -0.107 0.000 1.052 695 V CB 0.737 32.511 31.823 -0.081 0.000 1.021 695 V HN 0.974 nan 8.190 nan 0.000 0.480 696 T N -0.073 114.408 114.554 -0.121 0.000 3.023 696 T HA 0.039 4.390 4.350 0.000 0.000 0.266 696 T C 0.716 175.381 174.700 -0.058 0.000 1.093 696 T CA 0.509 62.551 62.100 -0.097 0.000 1.129 696 T CB -0.494 68.239 68.868 -0.225 0.000 0.899 696 T HN 0.641 nan 8.240 nan 0.000 0.491 697 V N 2.767 122.631 119.914 -0.083 0.000 2.506 697 V HA 0.356 4.477 4.120 0.000 0.000 0.296 697 V C 1.807 177.845 176.094 -0.094 0.000 1.004 697 V CA 1.093 63.352 62.300 -0.069 0.000 1.150 697 V CB -0.760 31.025 31.823 -0.064 0.000 0.911 697 V HN 0.874 nan 8.190 nan 0.000 0.476 698 G N 4.760 113.505 108.800 -0.090 0.000 2.212 698 G HA2 -0.301 3.659 3.960 0.000 0.000 0.266 698 G HA3 -0.301 3.659 3.960 0.000 0.000 0.266 698 G C 0.691 175.420 174.900 -0.285 0.000 0.978 698 G CA 0.440 45.448 45.100 -0.152 0.000 0.632 698 G HN 0.654 nan 8.290 nan 0.000 0.537 699 N N 1.254 119.758 118.700 -0.327 0.000 2.322 699 N HA 0.201 4.941 4.740 0.000 0.000 0.194 699 N C 1.326 176.424 175.510 -0.688 0.000 1.126 699 N CA 0.798 53.469 53.050 -0.632 0.000 0.845 699 N CB 0.232 38.380 38.487 -0.565 0.000 0.976 699 N HN 0.637 nan 8.380 nan 0.000 0.475 700 G N 0.354 108.830 108.800 -0.541 0.000 2.406 700 G HA2 0.390 4.350 3.960 0.000 0.000 0.251 700 G HA3 0.390 4.350 3.960 0.000 0.000 0.251 700 G C -0.435 174.040 174.900 -0.707 0.000 1.271 700 G CA 0.033 44.536 45.100 -0.994 0.000 0.859 700 G HN -0.003 nan 8.290 nan 0.000 0.540 701 V N 1.405 120.888 119.914 -0.718 0.000 2.971 701 V HA 0.950 5.070 4.120 0.000 0.000 0.309 701 V C 0.546 176.496 176.094 -0.240 0.000 1.130 701 V CA 0.720 62.794 62.300 -0.378 0.000 0.964 701 V CB 1.931 33.613 31.823 -0.234 0.000 1.029 701 V HN 1.541 nan 8.190 nan 0.000 0.427 702 G N 3.358 112.096 108.800 -0.103 0.000 2.455 702 G HA2 0.484 4.444 3.960 0.000 0.000 0.223 702 G HA3 0.484 4.444 3.960 0.000 0.000 0.223 702 G C -1.518 173.374 174.900 -0.013 0.000 1.226 702 G CA 0.207 45.244 45.100 -0.105 0.000 0.948 702 G HN 1.558 nan 8.290 nan 0.000 0.478 703 F N -2.033 117.704 119.950 -0.355 0.000 2.713 703 F HA 0.853 5.380 4.527 0.000 0.000 0.311 703 F C -1.740 173.811 175.800 -0.414 0.000 1.141 703 F CA -1.798 56.043 58.000 -0.265 0.000 0.939 703 F CB 1.074 39.974 39.000 -0.166 0.000 1.325 703 F HN 0.463 nan 8.300 nan 0.000 0.453 704 F N 1.565 121.517 119.950 0.003 0.000 2.507 704 F HA 0.745 5.272 4.527 0.000 0.000 0.327 704 F C -0.510 175.336 175.800 0.076 0.000 1.068 704 F CA -0.969 56.987 58.000 -0.074 0.000 0.965 704 F CB 2.054 40.988 39.000 -0.110 0.000 1.192 704 F HN 0.351 nan 8.300 nan 0.000 0.476 705 L N 3.953 125.328 121.223 0.253 0.000 2.342 705 L HA 0.566 4.907 4.340 0.000 0.000 0.276 705 L C -0.638 176.432 176.870 0.333 0.000 0.997 705 L CA -0.602 54.412 54.840 0.290 0.000 0.838 705 L CB 1.305 43.500 42.059 0.226 0.000 1.224 705 L HN 0.558 nan 8.230 nan 0.000 0.416 706 R N 3.667 124.274 120.500 0.178 0.000 2.670 706 R HA 0.508 4.848 4.340 0.000 0.000 0.289 706 R C -2.687 173.298 176.300 -0.525 0.000 0.965 706 R CA -1.983 54.074 56.100 -0.072 0.000 0.899 706 R CB 2.387 32.620 30.300 -0.111 0.000 1.173 706 R HN 0.232 nan 8.270 nan 0.000 0.456 707 P HA -0.006 nan 4.420 nan 0.000 0.276 707 P C -1.319 175.827 177.300 -0.257 0.000 1.235 707 P CA 0.042 62.556 63.100 -0.977 0.000 0.772 707 P CB 0.397 31.851 31.700 -0.410 0.000 0.871 708 Y N 4.300 124.402 120.300 -0.331 0.000 2.526 708 Y HA 0.248 4.798 4.550 0.000 0.000 0.328 708 Y C 0.342 176.149 175.900 -0.154 0.000 0.995 708 Y CA -0.518 57.439 58.100 -0.238 0.000 1.304 708 Y CB 0.039 38.275 38.460 -0.373 0.000 1.096 708 Y HN 0.391 nan 8.280 nan 0.000 0.499 709 N N 3.596 122.111 118.700 -0.307 0.000 2.725 709 N HA -0.313 4.427 4.740 0.000 0.000 0.249 709 N C 0.494 175.991 175.510 -0.022 0.000 1.103 709 N CA 1.451 54.386 53.050 -0.192 0.000 0.707 709 N CB -1.671 36.602 38.487 -0.356 0.000 1.043 709 N HN 0.734 nan 8.380 nan 0.000 0.553 710 F N 0.079 119.921 119.950 -0.180 0.000 2.179 710 F HA 0.220 4.747 4.527 0.000 0.000 0.292 710 F C 0.895 176.488 175.800 -0.345 0.000 1.089 710 F CA 0.769 58.600 58.000 -0.281 0.000 1.295 710 F CB 0.128 38.836 39.000 -0.487 0.000 1.041 710 F HN -0.009 nan 8.300 nan 0.000 0.487 711 F N 0.552 120.588 119.950 0.142 0.000 2.364 711 F HA 0.230 4.757 4.527 0.000 0.000 0.316 711 F C 1.472 177.295 175.800 0.038 0.000 1.133 711 F CA -0.720 57.317 58.000 0.062 0.000 1.051 711 F CB 0.180 39.287 39.000 0.178 0.000 1.342 711 F HN -0.252 nan 8.300 nan 0.000 0.507 712 D N -0.537 120.023 120.400 0.266 0.000 2.327 712 D HA 0.046 4.687 4.640 0.000 0.000 0.205 712 D C -0.062 176.455 176.300 0.362 0.000 0.989 712 D CA 0.724 54.839 54.000 0.190 0.000 0.873 712 D CB 0.196 40.995 40.800 -0.001 0.000 0.955 712 D HN 0.689 nan 8.370 nan 0.000 0.515 713 E N -0.414 119.962 120.200 0.292 0.000 2.416 713 E HA 0.155 4.505 4.350 0.000 0.000 0.280 713 E C -1.379 175.288 176.600 0.111 0.000 1.055 713 E CA -0.886 55.615 56.400 0.169 0.000 0.825 713 E CB 0.853 30.586 29.700 0.055 0.000 1.312 713 E HN -0.314 nan 8.360 nan 0.000 0.452 714 D N 1.704 122.118 120.400 0.023 0.000 2.554 714 D HA 0.019 4.659 4.640 0.000 0.000 0.251 714 D C -1.442 174.850 176.300 -0.014 0.000 1.213 714 D CA -1.470 52.518 54.000 -0.021 0.000 0.900 714 D CB 0.960 41.750 40.800 -0.017 0.000 1.135 714 D HN 0.161 nan 8.370 nan 0.000 0.522 715 P HA -0.208 nan 4.420 nan 0.000 0.216 715 P C 1.306 178.712 177.300 0.177 0.000 1.154 715 P CA 1.658 64.790 63.100 0.054 0.000 0.865 715 P CB -0.106 31.543 31.700 -0.085 0.000 0.789 716 S N -1.658 114.102 115.700 0.101 0.000 2.528 716 S HA -0.194 4.276 4.470 0.000 0.000 0.244 716 S C 1.747 176.394 174.600 0.080 0.000 0.982 716 S CA 0.412 58.678 58.200 0.110 0.000 0.953 716 S CB -1.650 61.607 63.200 0.095 0.000 0.754 716 S HN 0.033 nan 8.310 nan 0.000 0.529 717 F N 2.505 122.378 119.950 -0.129 0.000 2.095 717 F HA -0.075 4.452 4.527 0.000 0.000 0.298 717 F C 1.474 177.118 175.800 -0.260 0.000 1.104 717 F CA 1.045 58.882 58.000 -0.273 0.000 1.232 717 F CB -0.752 37.950 39.000 -0.498 0.000 0.987 717 F HN 0.243 nan 8.300 nan 0.000 0.475 718 Y N 0.193 120.390 120.300 -0.172 0.000 2.578 718 Y HA 0.151 4.701 4.550 0.000 0.000 0.297 718 Y C 1.568 177.379 175.900 -0.149 0.000 1.176 718 Y CA 0.381 58.330 58.100 -0.252 0.000 1.315 718 Y CB -1.271 37.134 38.460 -0.092 0.000 1.031 718 Y HN -0.029 nan 8.280 nan 0.000 0.524 719 S N 0.959 116.673 115.700 0.024 0.000 2.563 719 S HA 0.128 4.598 4.470 0.000 0.000 0.294 719 S C 1.568 176.180 174.600 0.020 0.000 1.279 719 S CA 0.108 58.335 58.200 0.046 0.000 1.069 719 S CB 0.724 63.960 63.200 0.059 0.000 0.828 719 S HN 0.489 nan 8.310 nan 0.000 0.497 720 A N 3.882 126.722 122.820 0.032 0.000 2.178 720 A HA 0.006 4.326 4.320 0.000 0.000 0.218 720 A C 1.224 178.832 177.584 0.040 0.000 1.157 720 A CA 1.280 53.334 52.037 0.028 0.000 0.689 720 A CB -0.220 18.798 19.000 0.029 0.000 0.787 720 A HN 0.859 nan 8.150 nan 0.000 0.465 721 D N -0.499 119.933 120.400 0.052 0.000 2.433 721 D HA 0.083 4.723 4.640 0.000 0.000 0.211 721 D C 0.438 176.787 176.300 0.082 0.000 1.114 721 D CA 0.528 54.568 54.000 0.066 0.000 0.837 721 D CB 0.178 41.021 40.800 0.071 0.000 0.984 721 D HN 0.448 nan 8.370 nan 0.000 0.505 722 S N 0.761 116.502 115.700 0.069 0.000 2.549 722 S HA 0.256 4.726 4.470 0.000 0.000 0.279 722 S C 0.199 174.884 174.600 0.143 0.000 1.321 722 S CA -0.519 57.735 58.200 0.091 0.000 1.054 722 S CB 1.127 64.349 63.200 0.036 0.000 0.899 722 S HN -0.113 nan 8.310 nan 0.000 0.497 723 I N 2.936 123.635 120.570 0.215 0.000 2.437 723 I HA 0.534 4.704 4.170 0.000 0.000 0.298 723 I C -0.400 175.953 176.117 0.394 0.000 0.984 723 I CA -1.188 60.297 61.300 0.308 0.000 1.214 723 I CB 1.132 39.345 38.000 0.355 0.000 1.365 723 I HN 0.903 nan 8.210 nan 0.000 0.469 724 Y N 7.642 128.109 120.300 0.278 0.000 2.480 724 Y HA 0.640 5.190 4.550 0.000 0.000 0.329 724 Y C -1.751 174.340 175.900 0.317 0.000 1.127 724 Y CA -1.402 56.810 58.100 0.187 0.000 1.037 724 Y CB 1.624 40.143 38.460 0.099 0.000 1.320 724 Y HN 0.417 nan 8.280 nan 0.000 0.446 725 F N 2.857 122.371 119.950 -0.727 0.000 2.672 725 F HA 0.683 5.210 4.527 0.000 0.000 0.311 725 F C -1.542 173.949 175.800 -0.515 0.000 1.113 725 F CA -1.433 56.248 58.000 -0.531 0.000 0.996 725 F CB 1.139 40.046 39.000 -0.154 0.000 1.286 725 F HN 0.455 nan 8.300 nan 0.000 0.441 726 R N 0.633 121.073 120.500 -0.100 0.000 2.543 726 R HA 0.478 4.818 4.340 0.000 0.000 0.268 726 R C 1.221 177.625 176.300 0.174 0.000 1.067 726 R CA -0.161 55.961 56.100 0.036 0.000 1.142 726 R CB 1.153 31.518 30.300 0.109 0.000 1.110 726 R HN 1.081 nan 8.270 nan 0.000 0.549 727 G N 0.765 109.665 108.800 0.166 0.000 2.443 727 G HA2 -0.275 3.685 3.960 0.000 0.000 0.219 727 G HA3 -0.275 3.685 3.960 0.000 0.000 0.219 727 G C 0.774 175.762 174.900 0.147 0.000 1.131 727 G CA 1.115 46.322 45.100 0.179 0.000 0.775 727 G HN 0.817 nan 8.290 nan 0.000 0.547 728 D N -0.522 119.954 120.400 0.126 0.000 2.317 728 D HA 0.021 4.661 4.640 0.000 0.000 0.211 728 D C 1.473 177.817 176.300 0.074 0.000 0.966 728 D CA 0.225 54.277 54.000 0.088 0.000 0.876 728 D CB -0.079 40.764 40.800 0.071 0.000 0.927 728 D HN 0.370 nan 8.370 nan 0.000 0.519 729 Q N -0.067 119.788 119.800 0.091 0.000 2.414 729 Q HA 0.164 4.504 4.340 0.000 0.000 0.206 729 Q C -0.606 175.408 176.000 0.022 0.000 1.058 729 Q CA -0.406 55.437 55.803 0.067 0.000 1.025 729 Q CB 0.536 29.333 28.738 0.098 0.000 1.196 729 Q HN 0.086 nan 8.270 nan 0.000 0.586 730 D N -0.691 119.698 120.400 -0.019 0.000 2.412 730 D HA 0.271 4.911 4.640 0.000 0.000 0.224 730 D C -0.097 176.096 176.300 -0.178 0.000 1.093 730 D CA -0.188 53.766 54.000 -0.076 0.000 0.850 730 D CB 1.238 42.008 40.800 -0.051 0.000 1.046 730 D HN 0.573 nan 8.370 nan 0.000 0.507 731 A N 2.986 125.616 122.820 -0.316 0.000 2.015 731 A HA 0.049 4.369 4.320 0.000 0.000 0.219 731 A C 1.916 179.257 177.584 -0.405 0.000 1.163 731 A CA 1.355 53.005 52.037 -0.645 0.000 0.646 731 A CB -0.298 18.147 19.000 -0.924 0.000 0.806 731 A HN 0.587 nan 8.150 nan 0.000 0.448 732 G N -0.767 107.889 108.800 -0.240 0.000 2.712 732 G HA2 0.329 4.289 3.960 0.000 0.000 0.212 732 G HA3 0.329 4.289 3.960 0.000 0.000 0.212 732 G C 0.711 175.545 174.900 -0.110 0.000 1.142 732 G CA 0.528 45.535 45.100 -0.156 0.000 0.789 732 G HN 0.774 nan 8.290 nan 0.000 0.535 733 A N 0.117 122.873 122.820 -0.106 0.000 2.473 733 A HA 0.320 4.641 4.320 0.000 0.000 0.282 733 A C 1.692 179.245 177.584 -0.052 0.000 1.163 733 A CA 0.215 52.215 52.037 -0.062 0.000 0.827 733 A CB -0.375 18.599 19.000 -0.044 0.000 1.098 733 A HN 0.415 nan 8.150 nan 0.000 0.515 734 c N 2.928 121.506 118.600 -0.035 0.000 2.385 734 c HA -0.179 4.391 4.570 0.000 0.000 0.275 734 c C 2.649 176.739 174.090 -0.000 0.000 1.207 734 c CA 1.881 58.199 56.329 -0.018 0.000 1.760 734 c CB -0.968 41.536 42.510 -0.010 0.000 2.051 734 c HN 0.907 nan 8.230 nan 0.000 0.467 735 E N 0.291 120.494 120.200 0.005 0.000 2.204 735 E HA -0.137 4.213 4.350 0.000 0.000 0.195 735 E C 2.140 178.760 176.600 0.033 0.000 0.990 735 E CA 1.650 58.062 56.400 0.020 0.000 0.821 735 E CB -0.777 28.934 29.700 0.019 0.000 0.750 735 E HN 0.573 nan 8.360 nan 0.000 0.477 736 V N 1.346 121.273 119.914 0.022 0.000 2.346 736 V HA -0.093 4.027 4.120 0.000 0.000 0.244 736 V C 0.867 176.999 176.094 0.064 0.000 1.037 736 V CA 1.598 63.925 62.300 0.045 0.000 1.029 736 V CB -0.427 31.402 31.823 0.010 0.000 0.663 736 V HN 0.279 nan 8.190 nan 0.000 0.454 737 N N -0.637 118.067 118.700 0.007 0.000 2.540 737 N HA 0.301 5.041 4.740 0.000 0.000 0.275 737 N C -2.147 173.370 175.510 0.012 0.000 1.053 737 N CA -1.953 51.107 53.050 0.016 0.000 0.876 737 N CB 2.082 40.490 38.487 -0.131 0.000 1.284 737 N HN -0.110 nan 8.380 nan 0.000 0.518 738 P HA -0.156 nan 4.420 nan 0.000 0.217 738 P C 1.390 178.703 177.300 0.023 0.000 1.151 738 P CA 1.149 64.273 63.100 0.039 0.000 0.849 738 P CB 0.315 32.050 31.700 0.059 0.000 0.787 739 L N -1.293 119.945 121.223 0.024 0.000 2.129 739 L HA -0.226 4.114 4.340 0.000 0.000 0.212 739 L C 2.420 179.277 176.870 -0.021 0.000 1.087 739 L CA 1.530 56.373 54.840 0.005 0.000 0.757 739 L CB -1.159 40.904 42.059 0.007 0.000 0.896 739 L HN -0.014 nan 8.230 nan 0.000 0.434 740 A N -0.590 122.205 122.820 -0.042 0.000 1.972 740 A HA -0.208 4.113 4.320 0.000 0.000 0.219 740 A C 2.198 179.767 177.584 -0.025 0.000 1.169 740 A CA 1.780 53.787 52.037 -0.050 0.000 0.635 740 A CB -0.914 18.043 19.000 -0.072 0.000 0.810 740 A HN 0.643 nan 8.150 nan 0.000 0.446 741 c N -0.802 117.793 118.600 -0.009 0.000 2.618 741 c HA 0.237 4.807 4.570 0.000 0.000 0.264 741 c C 2.156 176.253 174.090 0.011 0.000 1.334 741 c CA -0.150 56.181 56.329 0.003 0.000 1.731 741 c CB -1.327 41.189 42.510 0.011 0.000 1.852 741 c HN 0.524 nan 8.230 nan 0.000 0.566 742 L N 2.821 124.049 121.223 0.008 0.000 2.012 742 L HA -0.042 4.298 4.340 0.000 0.000 0.210 742 L C -0.438 176.446 176.870 0.024 0.000 1.073 742 L CA 2.207 57.056 54.840 0.014 0.000 0.748 742 L CB -2.028 40.034 42.059 0.005 0.000 0.891 742 L HN 0.133 nan 8.230 nan 0.000 0.431 743 P HA -0.124 nan 4.420 nan 0.000 0.220 743 P C 1.702 179.021 177.300 0.031 0.000 1.148 743 P CA 2.086 65.201 63.100 0.025 0.000 0.803 743 P CB -0.110 31.597 31.700 0.011 0.000 0.782 744 Q N 0.102 119.917 119.800 0.025 0.000 1.994 744 Q HA -0.033 4.307 4.340 0.000 0.000 0.198 744 Q C 2.398 178.425 176.000 0.045 0.000 0.976 744 Q CA 1.953 57.773 55.803 0.029 0.000 0.828 744 Q CB -1.900 26.850 28.738 0.021 0.000 0.894 744 Q HN 0.224 nan 8.270 nan 0.000 0.432 745 A N 0.813 123.660 122.820 0.046 0.000 1.940 745 A HA 0.110 4.430 4.320 0.000 0.000 0.221 745 A C 2.320 179.963 177.584 0.098 0.000 1.190 745 A CA 2.613 54.686 52.037 0.061 0.000 0.647 745 A CB -0.701 18.327 19.000 0.047 0.000 0.821 745 A HN 1.414 nan 8.150 nan 0.000 0.457 746 A N -1.522 121.363 122.820 0.109 0.000 2.610 746 A HA 0.640 4.960 4.320 0.000 0.000 0.286 746 A C 0.892 178.581 177.584 0.175 0.000 1.306 746 A CA 0.573 52.729 52.037 0.198 0.000 0.942 746 A CB -0.499 nan 19.000 nan 0.000 1.112 746 A HN 1.076 nan 8.150 nan 0.000 0.527 747 A N 0.701 123.584 122.820 0.104 0.000 3.126 747 A HA 0.510 4.830 4.320 0.000 0.000 0.268 747 A C 0.225 177.835 177.584 0.044 0.000 1.605 747 A CA 0.228 52.301 52.037 0.061 0.000 1.305 747 A CB -1.579 17.443 19.000 0.037 0.000 1.160 747 A HN 1.366 nan 8.150 nan 0.000 0.609 748 c N -1.059 117.567 118.600 0.043 0.000 3.181 748 c HA 0.800 5.370 4.570 0.000 0.000 0.362 748 c C 0.063 174.101 174.090 -0.087 0.000 1.125 748 c CA -0.487 55.839 56.329 -0.005 0.000 1.265 748 c CB 0.732 43.269 42.510 0.045 0.000 1.632 748 c HN 1.300 nan 8.230 nan 0.000 0.525 749 A N 3.264 126.020 122.820 -0.107 0.000 2.409 749 A HA 0.763 5.084 4.320 0.000 0.000 0.262 749 A C -2.424 175.091 177.584 -0.115 0.000 1.113 749 A CA -0.827 51.127 52.037 -0.139 0.000 0.790 749 A CB -0.295 18.658 19.000 -0.079 0.000 1.046 749 A HN 0.783 nan 8.150 nan 0.000 0.496 750 P HA 0.362 nan 4.420 nan 0.000 0.275 750 P C -0.265 177.009 177.300 -0.044 0.000 1.227 750 P CA 0.212 63.177 63.100 -0.225 0.000 0.781 750 P CB 0.521 31.968 31.700 -0.422 0.000 0.906 751 D N 3.889 124.289 120.400 -0.001 0.000 2.483 751 D HA 0.250 4.890 4.640 0.000 0.000 0.220 751 D C 0.167 176.462 176.300 -0.009 0.000 1.173 751 D CA -0.427 53.538 54.000 -0.058 0.000 0.964 751 D CB -0.688 40.043 40.800 -0.114 0.000 1.046 751 D HN 0.331 nan 8.370 nan 0.000 0.517 752 L N 2.108 123.324 121.223 -0.012 0.000 2.361 752 L HA 0.332 4.672 4.340 0.000 0.000 0.278 752 L C -1.622 175.312 176.870 0.106 0.000 1.113 752 L CA -1.474 53.391 54.840 0.041 0.000 0.849 752 L CB 1.161 43.154 42.059 -0.110 0.000 1.155 752 L HN 0.383 nan 8.230 nan 0.000 0.452 753 P HA 0.039 nan 4.420 nan 0.000 0.267 753 P C -0.511 176.934 177.300 0.241 0.000 1.201 753 P CA -0.291 62.915 63.100 0.176 0.000 0.775 753 P CB 0.538 32.335 31.700 0.161 0.000 0.854 754 A N 2.747 125.656 122.820 0.148 0.000 2.477 754 A HA 0.161 4.481 4.320 0.000 0.000 0.246 754 A C -0.076 177.626 177.584 0.197 0.000 1.078 754 A CA -0.294 51.846 52.037 0.172 0.000 0.770 754 A CB -0.634 18.427 19.000 0.101 0.000 1.011 754 A HN 0.550 nan 8.150 nan 0.000 0.494 755 F N 3.694 123.728 119.950 0.139 0.000 2.571 755 F HA 0.349 4.876 4.527 0.000 0.000 0.384 755 F C 0.836 176.638 175.800 0.003 0.000 1.058 755 F CA 1.036 59.072 58.000 0.061 0.000 1.200 755 F CB 0.426 39.489 39.000 0.104 0.000 1.077 755 F HN 0.548 nan 8.300 nan 0.000 0.558 756 S N 6.378 121.590 115.700 -0.812 0.000 2.568 756 S HA 0.410 4.880 4.470 0.000 0.000 0.302 756 S C -1.280 172.691 174.600 -1.049 0.000 1.082 756 S CA -0.659 57.134 58.200 -0.678 0.000 1.009 756 S CB 1.146 64.121 63.200 -0.375 0.000 1.069 756 S HN 0.873 nan 8.310 nan 0.000 0.500 757 H N 1.300 119.999 119.070 -0.618 0.000 2.572 757 H HA 0.415 4.971 4.556 0.000 0.000 0.359 757 H C 1.009 176.190 175.328 -0.245 0.000 1.134 757 H CA -0.290 55.506 56.048 -0.420 0.000 1.187 757 H CB 1.794 31.478 29.762 -0.130 0.000 1.597 757 H HN 0.871 nan 8.280 nan 0.000 0.524 758 G N 2.132 110.339 108.800 -0.988 0.000 2.848 758 G HA2 0.271 4.231 3.960 0.000 0.000 0.208 758 G HA3 0.271 4.231 3.960 0.000 0.000 0.208 758 G C 0.738 175.325 174.900 -0.521 0.000 1.152 758 G CA 0.508 45.239 45.100 -0.615 0.000 0.789 758 G HN 1.032 nan 8.290 nan 0.000 0.531 759 G N -1.023 107.414 108.800 -0.605 0.000 2.750 759 G HA2 -0.107 3.853 3.960 0.000 0.000 0.228 759 G HA3 -0.107 3.853 3.960 0.000 0.000 0.228 759 G C -0.237 174.465 174.900 -0.330 0.000 1.367 759 G CA -0.233 44.774 45.100 -0.156 0.000 0.871 759 G HN 0.348 nan 8.290 nan 0.000 0.560 760 F N -0.585 119.404 119.950 0.066 0.000 2.846 760 F HA 0.764 5.291 4.527 0.000 0.000 0.388 760 F C 1.116 176.945 175.800 0.048 0.000 1.259 760 F CA -0.250 57.794 58.000 0.073 0.000 1.118 760 F CB 1.018 40.076 39.000 0.097 0.000 1.512 760 F HN 0.605 nan 8.300 nan 0.000 0.502 761 S N 0.000 115.861 115.700 0.268 0.000 2.498 761 S HA 0.000 4.470 4.470 0.000 0.000 0.327 761 S CA 0.000 58.278 58.200 0.130 0.000 1.107 761 S CB 0.000 63.247 63.200 0.079 0.000 0.593 761 S HN 0.000 nan 8.310 nan 0.000 0.517