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_A DATA FIRST_RESID 39 DATA SEQUENCE PHcXXXXXXX XXXXXXXXSQ 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 FLFGATGKYG 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 0.000 177.308 177.300 0.014 0.000 1.155 39 P CA 0.000 63.109 63.100 0.015 0.000 0.800 39 P CB 0.000 31.713 31.700 0.021 0.000 0.726 40 H N -0.503 118.578 119.070 0.017 0.000 2.417 40 H HA 0.864 5.417 4.556 -0.006 0.000 0.325 40 H C 0.302 175.656 175.328 0.045 0.000 1.549 40 H CA 0.201 56.260 56.048 0.018 0.000 1.476 40 H CB 0.512 30.284 29.762 0.016 0.000 1.732 40 H HN 0.802 nan 8.280 nan 0.000 0.695 58 Q N 4.960 124.766 119.800 0.009 0.000 2.771 58 Q HA 0.302 4.638 4.340 -0.006 0.000 0.239 58 Q C 0.669 176.610 176.000 -0.098 0.000 1.231 58 Q CA -0.288 55.500 55.803 -0.025 0.000 1.056 58 Q CB 1.088 29.806 28.738 -0.033 0.000 1.284 58 Q HN 0.793 nan 8.270 nan 0.000 0.558 59 L N -0.834 120.277 121.223 -0.186 0.000 2.638 59 L HA 0.264 4.600 4.340 -0.006 0.000 0.232 59 L C 0.255 176.741 176.870 -0.639 0.000 1.099 59 L CA 0.351 54.942 54.840 -0.415 0.000 0.883 59 L CB 0.450 42.208 42.059 -0.502 0.000 1.136 59 L HN 0.325 nan 8.230 nan 0.000 0.492 60 F N 0.572 120.407 119.950 -0.192 0.000 2.706 60 F HA 0.441 4.965 4.527 -0.006 0.000 0.313 60 F C 1.358 177.028 175.800 -0.217 0.000 1.096 60 F CA -0.367 57.434 58.000 -0.331 0.000 1.219 60 F CB 0.199 38.895 39.000 -0.506 0.000 1.051 60 F HN 0.023 nan 8.300 nan 0.000 0.568 61 A N 0.651 123.453 122.820 -0.029 0.000 2.498 61 A HA 0.105 4.422 4.320 -0.006 0.000 0.239 61 A C 0.183 177.751 177.584 -0.026 0.000 1.068 61 A CA -0.342 51.658 52.037 -0.061 0.000 0.766 61 A CB 0.006 18.959 19.000 -0.079 0.000 1.003 61 A HN 0.143 nan 8.150 nan 0.000 0.497 62 D N 0.860 121.267 120.400 0.011 0.000 2.400 62 D HA 0.163 4.799 4.640 -0.006 0.000 0.238 62 D C 0.344 176.657 176.300 0.021 0.000 1.157 62 D CA 0.354 54.403 54.000 0.082 0.000 0.889 62 D CB 0.438 41.373 40.800 0.225 0.000 1.199 62 D HN 0.440 nan 8.370 nan 0.000 0.436 63 L N 1.411 122.638 121.223 0.008 0.000 2.490 63 L HA -0.031 4.305 4.340 -0.006 0.000 0.274 63 L C 1.337 178.196 176.870 -0.018 0.000 1.201 63 L CA 0.004 54.827 54.840 -0.029 0.000 0.869 63 L CB 0.192 42.223 42.059 -0.047 0.000 1.123 63 L HN 0.402 nan 8.230 nan 0.000 0.484 64 S N 3.034 118.725 115.700 -0.015 0.000 2.624 64 S HA 0.241 4.708 4.470 -0.006 0.000 0.263 64 S C 1.171 175.738 174.600 -0.055 0.000 1.287 64 S CA -0.665 57.549 58.200 0.024 0.000 0.990 64 S CB 1.081 64.280 63.200 -0.001 0.000 0.950 64 S HN 0.620 nan 8.310 nan 0.000 0.561 65 R N 0.835 121.259 120.500 -0.126 0.000 2.133 65 R HA -0.221 4.115 4.340 -0.006 0.000 0.245 65 R C 2.202 178.414 176.300 -0.146 0.000 1.137 65 R CA 2.508 58.479 56.100 -0.215 0.000 0.947 65 R CB -0.672 29.444 30.300 -0.307 0.000 0.865 65 R HN 0.780 nan 8.270 nan 0.000 0.437 66 E N 0.241 120.373 120.200 -0.114 0.000 2.017 66 E HA -0.171 4.175 4.350 -0.006 0.000 0.193 66 E C 1.916 178.448 176.600 -0.114 0.000 0.997 66 E CA 1.366 57.710 56.400 -0.093 0.000 0.804 66 E CB -0.137 29.520 29.700 -0.072 0.000 0.757 66 E HN 0.377 nan 8.360 nan 0.000 0.448 67 E N 0.432 120.555 120.200 -0.127 0.000 2.097 67 E HA -0.217 4.129 4.350 -0.006 0.000 0.196 67 E C 2.120 178.645 176.600 -0.125 0.000 1.000 67 E CA 1.056 57.366 56.400 -0.150 0.000 0.804 67 E CB -0.210 29.412 29.700 -0.129 0.000 0.740 67 E HN 0.198 nan 8.360 nan 0.000 0.454 68 L N 0.345 121.502 121.223 -0.111 0.000 1.994 68 L HA -0.194 4.143 4.340 -0.006 0.000 0.208 68 L C 2.664 179.481 176.870 -0.088 0.000 1.071 68 L CA 1.396 56.173 54.840 -0.105 0.000 0.745 68 L CB -0.707 41.271 42.059 -0.135 0.000 0.892 68 L HN 0.156 nan 8.230 nan 0.000 0.431 69 T N 0.010 114.509 114.554 -0.091 0.000 2.665 69 T HA -0.258 4.088 4.350 -0.006 0.000 0.268 69 T C 1.989 176.675 174.700 -0.025 0.000 1.035 69 T CA 1.529 63.593 62.100 -0.060 0.000 1.151 69 T CB -0.347 68.486 68.868 -0.058 0.000 0.862 69 T HN 0.470 nan 8.240 nan 0.000 0.438 70 A N 0.693 123.487 122.820 -0.042 0.000 1.948 70 A HA -0.100 4.217 4.320 -0.006 0.000 0.220 70 A C 2.567 180.160 177.584 0.014 0.000 1.177 70 A CA 1.689 53.714 52.037 -0.021 0.000 0.636 70 A CB -0.941 17.954 19.000 -0.175 0.000 0.815 70 A HN 0.398 nan 8.150 nan 0.000 0.449 71 V N -1.113 118.786 119.914 -0.026 0.000 2.488 71 V HA -0.193 3.924 4.120 -0.006 0.000 0.246 71 V C 2.486 178.629 176.094 0.083 0.000 1.046 71 V CA 2.031 64.333 62.300 0.004 0.000 1.053 71 V CB -0.524 31.270 31.823 -0.049 0.000 0.679 71 V HN 0.630 nan 8.190 nan 0.000 0.458 72 M N 1.136 120.759 119.600 0.039 0.000 2.086 72 M HA -0.102 4.374 4.480 -0.006 0.000 0.261 72 M C 2.379 178.717 176.300 0.065 0.000 1.067 72 M CA 2.514 57.838 55.300 0.041 0.000 1.116 72 M CB -0.738 31.860 32.600 -0.003 0.000 1.348 72 M HN 0.281 nan 8.290 nan 0.000 0.407 73 R N -0.168 120.372 120.500 0.067 0.000 2.097 73 R HA -0.229 4.108 4.340 -0.006 0.000 0.236 73 R C 2.231 178.593 176.300 0.103 0.000 1.135 73 R CA 2.475 58.618 56.100 0.071 0.000 0.934 73 R CB -2.542 27.805 30.300 0.079 0.000 0.846 73 R HN 0.657 nan 8.270 nan 0.000 0.431 74 F N 0.974 120.927 119.950 0.005 0.000 2.154 74 F HA -0.112 4.412 4.527 -0.006 0.000 0.301 74 F C 2.193 178.004 175.800 0.018 0.000 1.087 74 F CA 1.799 59.804 58.000 0.008 0.000 1.274 74 F CB -0.030 38.965 39.000 -0.009 0.000 1.009 74 F HN 0.153 nan 8.300 nan 0.000 0.485 75 L N -0.866 120.488 121.223 0.219 0.000 2.044 75 L HA -0.205 4.131 4.340 -0.006 0.000 0.205 75 L C 2.393 179.286 176.870 0.037 0.000 1.075 75 L CA 1.756 56.683 54.840 0.145 0.000 0.747 75 L CB -1.242 40.907 42.059 0.150 0.000 0.903 75 L HN 0.103 nan 8.230 nan 0.000 0.435 76 T N -0.529 114.043 114.554 0.030 0.000 2.620 76 T HA -0.346 4.000 4.350 -0.006 0.000 0.267 76 T C 1.835 176.518 174.700 -0.029 0.000 1.044 76 T CA 1.887 63.993 62.100 0.010 0.000 1.161 76 T CB -0.257 68.615 68.868 0.008 0.000 0.862 76 T HN 0.315 nan 8.240 nan 0.000 0.438 77 Q N -0.053 119.698 119.800 -0.081 0.000 1.975 77 Q HA -0.073 4.263 4.340 -0.006 0.000 0.205 77 Q C 2.505 178.407 176.000 -0.162 0.000 0.990 77 Q CA 1.590 57.312 55.803 -0.136 0.000 0.845 77 Q CB -0.099 28.514 28.738 -0.209 0.000 0.913 77 Q HN 0.104 nan 8.270 nan 0.000 0.420 78 R N -0.155 120.186 120.500 -0.264 0.000 2.299 78 R HA 0.125 4.461 4.340 -0.006 0.000 0.197 78 R C 0.816 177.093 176.300 -0.039 0.000 0.971 78 R CA 0.443 56.416 56.100 -0.213 0.000 1.030 78 R CB 0.210 30.274 30.300 -0.394 0.000 0.932 78 R HN 0.216 nan 8.270 nan 0.000 0.477 79 L N -0.257 120.974 121.223 0.014 0.000 2.685 79 L HA 0.318 4.654 4.340 -0.006 0.000 0.233 79 L C 0.410 177.338 176.870 0.096 0.000 1.173 79 L CA -0.047 54.858 54.840 0.107 0.000 0.961 79 L CB 0.014 42.169 42.059 0.159 0.000 1.217 79 L HN 0.332 nan 8.230 nan 0.000 0.478 80 G N 0.783 109.608 108.800 0.041 0.000 2.856 80 G HA2 -0.205 3.752 3.960 -0.006 0.000 0.674 80 G HA3 -0.205 3.752 3.960 -0.006 0.000 0.674 80 G C -2.715 172.211 174.900 0.043 0.000 1.519 80 G CA -1.112 44.008 45.100 0.034 0.000 0.940 80 G HN 0.092 nan 8.290 nan 0.000 0.564 81 P HA 0.525 nan 4.420 nan 0.000 0.275 81 P C 1.107 178.440 177.300 0.056 0.000 1.266 81 P CA 1.363 64.486 63.100 0.038 0.000 0.793 81 P CB 0.765 32.479 31.700 0.024 0.000 1.074 82 G N -1.258 107.578 108.800 0.058 0.000 2.211 82 G HA2 -0.162 3.795 3.960 -0.006 0.000 0.201 82 G HA3 -0.162 3.795 3.960 -0.006 0.000 0.201 82 G C -0.314 174.640 174.900 0.090 0.000 0.997 82 G CA -0.451 44.693 45.100 0.073 0.000 0.652 82 G HN 0.578 nan 8.290 nan 0.000 0.500 83 L N 2.911 124.184 121.223 0.085 0.000 2.283 83 L HA 0.610 4.946 4.340 -0.006 0.000 0.287 83 L C 0.515 177.428 176.870 0.072 0.000 1.073 83 L CA -0.059 54.834 54.840 0.089 0.000 0.822 83 L CB 0.850 42.959 42.059 0.082 0.000 1.186 83 L HN 0.016 nan 8.230 nan 0.000 0.436 84 V N 4.035 123.997 119.914 0.081 0.000 2.997 84 V HA 0.252 4.368 4.120 -0.006 0.000 0.311 84 V C 0.217 176.352 176.094 0.069 0.000 1.066 84 V CA -0.894 61.452 62.300 0.076 0.000 1.039 84 V CB 1.811 33.690 31.823 0.093 0.000 1.081 84 V HN 0.662 nan 8.190 nan 0.000 0.467 85 D N 1.011 121.452 120.400 0.067 0.000 2.264 85 D HA 0.330 4.967 4.640 -0.006 0.000 0.250 85 D C 0.916 177.269 176.300 0.088 0.000 1.113 85 D CA 0.203 54.240 54.000 0.062 0.000 0.871 85 D CB 2.009 42.842 40.800 0.054 0.000 1.167 85 D HN 0.576 nan 8.370 nan 0.000 0.447 86 A N 4.078 126.946 122.820 0.080 0.000 1.948 86 A HA -0.160 4.156 4.320 -0.006 0.000 0.220 86 A C 2.058 179.754 177.584 0.188 0.000 1.177 86 A CA 2.173 54.283 52.037 0.122 0.000 0.636 86 A CB -0.686 18.369 19.000 0.092 0.000 0.815 86 A HN 0.692 nan 8.150 nan 0.000 0.449 87 A N -1.366 121.561 122.820 0.179 0.000 2.121 87 A HA -0.116 4.200 4.320 -0.006 0.000 0.218 87 A C 1.986 179.707 177.584 0.228 0.000 1.154 87 A CA 1.472 53.665 52.037 0.260 0.000 0.679 87 A CB -0.298 18.836 19.000 0.223 0.000 0.795 87 A HN 0.697 nan 8.150 nan 0.000 0.458 88 Q N -0.967 118.931 119.800 0.163 0.000 2.350 88 Q HA 0.345 4.682 4.340 -0.006 0.000 0.225 88 Q C 0.785 176.863 176.000 0.130 0.000 0.878 88 Q CA 0.180 56.060 55.803 0.129 0.000 0.935 88 Q CB 0.181 28.977 28.738 0.098 0.000 1.099 88 Q HN 0.583 nan 8.270 nan 0.000 0.527 89 A N 1.885 124.799 122.820 0.156 0.000 2.520 89 A HA 0.172 4.488 4.320 -0.006 0.000 0.235 89 A C 0.157 177.847 177.584 0.177 0.000 1.065 89 A CA 0.184 52.322 52.037 0.169 0.000 0.764 89 A CB 0.339 19.461 19.000 0.204 0.000 1.002 89 A HN 0.074 nan 8.150 nan 0.000 0.502 90 R N 1.509 122.109 120.500 0.166 0.000 2.856 90 R HA 0.383 4.719 4.340 -0.006 0.000 0.258 90 R C -2.131 174.302 176.300 0.222 0.000 1.066 90 R CA -2.141 54.056 56.100 0.160 0.000 1.045 90 R CB -0.251 30.101 30.300 0.087 0.000 1.178 90 R HN 0.364 nan 8.270 nan 0.000 0.499 91 P HA -0.149 nan 4.420 nan 0.000 0.216 91 P C 0.833 178.320 177.300 0.311 0.000 1.153 91 P CA 1.617 64.918 63.100 0.335 0.000 0.858 91 P CB 0.122 32.027 31.700 0.342 0.000 0.789 92 S N -2.387 113.420 115.700 0.179 0.000 2.603 92 S HA 0.023 4.489 4.470 -0.006 0.000 0.220 92 S C 0.700 175.373 174.600 0.123 0.000 0.967 92 S CA 0.012 58.275 58.200 0.104 0.000 0.920 92 S CB -0.758 62.476 63.200 0.057 0.000 0.773 92 S HN 0.078 nan 8.310 nan 0.000 0.529 93 D N 2.737 123.241 120.400 0.173 0.000 2.358 93 D HA 0.278 4.914 4.640 -0.006 0.000 0.244 93 D C -0.429 176.006 176.300 0.225 0.000 1.163 93 D CA 0.015 54.120 54.000 0.175 0.000 0.945 93 D CB 0.359 41.259 40.800 0.167 0.000 1.152 93 D HN 0.095 nan 8.370 nan 0.000 0.451 94 N N -0.299 118.522 118.700 0.202 0.000 2.419 94 N HA 0.402 5.139 4.740 -0.006 0.000 0.277 94 N C -0.656 174.943 175.510 0.149 0.000 1.006 94 N CA -0.410 52.773 53.050 0.223 0.000 0.923 94 N CB 0.883 39.534 38.487 0.272 0.000 1.140 94 N HN 0.432 nan 8.380 nan 0.000 0.488 95 C N -0.648 118.709 119.300 0.095 0.000 3.288 95 C HA 0.631 5.087 4.460 -0.006 0.000 0.318 95 C C -0.743 174.197 174.990 -0.084 0.000 1.356 95 C CA -0.915 58.119 59.018 0.027 0.000 1.359 95 C CB 0.548 28.326 27.740 0.063 0.000 1.688 95 C HN 0.344 nan 8.230 nan 0.000 0.467 96 V N 2.588 122.466 119.914 -0.060 0.000 2.364 96 V HA 0.311 4.428 4.120 -0.006 0.000 0.272 96 V C 0.415 176.464 176.094 -0.075 0.000 1.036 96 V CA 0.166 62.429 62.300 -0.062 0.000 0.880 96 V CB 0.863 32.678 31.823 -0.014 0.000 0.991 96 V HN 0.895 nan 8.190 nan 0.000 0.460 97 F N 4.279 124.038 119.950 -0.318 0.000 2.317 97 F HA 0.201 4.724 4.527 -0.006 0.000 0.293 97 F C 1.160 176.939 175.800 -0.034 0.000 1.085 97 F CA 0.737 58.527 58.000 -0.350 0.000 1.390 97 F CB 0.492 39.049 39.000 -0.738 0.000 1.077 97 F HN 0.544 nan 8.300 nan 0.000 0.517 98 S N -0.029 115.642 115.700 -0.048 0.000 2.533 98 S HA 0.674 5.140 4.470 -0.006 0.000 0.271 98 S C -1.584 173.048 174.600 0.054 0.000 1.143 98 S CA -0.706 57.470 58.200 -0.040 0.000 0.891 98 S CB 1.499 64.801 63.200 0.170 0.000 1.105 98 S HN -0.070 nan 8.310 nan 0.000 0.468 99 V N 3.043 122.963 119.914 0.010 0.000 2.525 99 V HA 0.772 4.888 4.120 -0.006 0.000 0.299 99 V C -0.446 175.656 176.094 0.013 0.000 1.034 99 V CA -0.278 62.037 62.300 0.025 0.000 0.863 99 V CB 1.159 32.977 31.823 -0.008 0.000 0.999 99 V HN 1.106 nan 8.190 nan 0.000 0.423 100 E N 4.426 124.657 120.200 0.052 0.000 2.445 100 E HA 0.603 4.949 4.350 -0.006 0.000 0.279 100 E C -1.235 175.405 176.600 0.067 0.000 1.018 100 E CA -1.208 55.224 56.400 0.053 0.000 0.816 100 E CB 1.968 31.715 29.700 0.078 0.000 1.356 100 E HN 0.394 nan 8.360 nan 0.000 0.462 101 L N 1.604 122.867 121.223 0.068 0.000 2.525 101 L HA 0.097 4.434 4.340 -0.006 0.000 0.278 101 L C -0.306 176.612 176.870 0.081 0.000 1.218 101 L CA 0.716 55.588 54.840 0.054 0.000 0.878 101 L CB 0.543 42.632 42.059 0.051 0.000 1.127 101 L HN 0.664 nan 8.230 nan 0.000 0.492 102 Q N 4.360 124.196 119.800 0.061 0.000 2.314 102 Q HA 0.451 4.787 4.340 -0.006 0.000 0.259 102 Q C -1.266 174.771 176.000 0.062 0.000 0.951 102 Q CA -0.102 55.752 55.803 0.084 0.000 0.909 102 Q CB 0.812 29.598 28.738 0.080 0.000 1.236 102 Q HN 0.738 nan 8.270 nan 0.000 0.444 103 L N 6.834 128.115 121.223 0.097 0.000 2.426 103 L HA 0.390 4.726 4.340 -0.006 0.000 0.271 103 L C -1.686 175.235 176.870 0.086 0.000 1.169 103 L CA -1.679 53.214 54.840 0.088 0.000 0.836 103 L CB 0.431 42.594 42.059 0.173 0.000 1.112 103 L HN 0.674 nan 8.230 nan 0.000 0.465 104 P HA 0.235 nan 4.420 nan 0.000 0.274 104 P C -2.602 174.769 177.300 0.118 0.000 1.237 104 P CA -1.423 61.698 63.100 0.035 0.000 0.793 104 P CB -0.263 31.396 31.700 -0.067 0.000 0.977 105 P HA 0.131 nan 4.420 nan 0.000 0.269 105 P C 1.006 178.367 177.300 0.101 0.000 1.215 105 P CA -0.140 63.010 63.100 0.084 0.000 0.780 105 P CB 0.697 32.422 31.700 0.042 0.000 0.898 106 K N 1.697 122.122 120.400 0.043 0.000 2.031 106 K HA -0.119 4.198 4.320 -0.006 0.000 0.205 106 K C 1.864 178.451 176.600 -0.021 0.000 1.049 106 K CA 1.489 57.733 56.287 -0.072 0.000 0.939 106 K CB -0.566 31.713 32.500 -0.369 0.000 0.717 106 K HN 0.495 nan 8.250 nan 0.000 0.438 107 A N 1.295 124.103 122.820 -0.021 0.000 1.892 107 A HA -0.201 4.115 4.320 -0.006 0.000 0.218 107 A C 2.321 179.928 177.584 0.038 0.000 1.188 107 A CA 2.303 54.341 52.037 0.002 0.000 0.631 107 A CB -0.802 18.197 19.000 -0.003 0.000 0.822 107 A HN 0.461 nan 8.150 nan 0.000 0.447 108 A N -0.406 122.440 122.820 0.043 0.000 1.873 108 A HA 0.208 4.524 4.320 -0.006 0.000 0.215 108 A C 2.545 180.182 177.584 0.087 0.000 1.186 108 A CA 2.087 54.154 52.037 0.050 0.000 0.616 108 A CB -1.139 17.875 19.000 0.024 0.000 0.823 108 A HN 1.162 nan 8.150 nan 0.000 0.442 109 A N -0.132 122.755 122.820 0.112 0.000 1.892 109 A HA -0.143 4.173 4.320 -0.006 0.000 0.218 109 A C 2.209 179.940 177.584 0.244 0.000 1.188 109 A CA 1.738 53.880 52.037 0.176 0.000 0.631 109 A CB -0.657 18.540 19.000 0.329 0.000 0.822 109 A HN 0.488 nan 8.150 nan 0.000 0.447 110 L N -1.174 120.179 121.223 0.216 0.000 2.044 110 L HA -0.147 4.189 4.340 -0.006 0.000 0.205 110 L C 3.159 180.107 176.870 0.131 0.000 1.075 110 L CA 0.937 55.888 54.840 0.185 0.000 0.747 110 L CB -0.746 41.388 42.059 0.125 0.000 0.903 110 L HN 0.448 nan 8.230 nan 0.000 0.435 111 A N -0.092 122.793 122.820 0.107 0.000 1.915 111 A HA -0.366 3.950 4.320 -0.006 0.000 0.220 111 A C 2.125 179.777 177.584 0.113 0.000 1.198 111 A CA 2.574 54.666 52.037 0.091 0.000 0.647 111 A CB -0.994 18.053 19.000 0.078 0.000 0.825 111 A HN 0.584 nan 8.150 nan 0.000 0.456 112 H N -0.526 118.569 119.070 0.041 0.000 2.326 112 H HA 0.079 4.631 4.556 -0.006 0.000 0.301 112 H C 1.748 177.103 175.328 0.045 0.000 1.081 112 H CA 1.879 57.944 56.048 0.028 0.000 1.334 112 H CB -0.328 29.435 29.762 0.002 0.000 1.385 112 H HN 0.354 nan 8.280 nan 0.000 0.504 113 L N -0.254 120.946 121.223 -0.038 0.000 2.141 113 L HA -0.103 4.233 4.340 -0.006 0.000 0.209 113 L C 1.475 178.319 176.870 -0.043 0.000 1.094 113 L CA 1.388 56.186 54.840 -0.071 0.000 0.763 113 L CB -0.077 42.057 42.059 0.125 0.000 0.908 113 L HN 0.391 nan 8.230 nan 0.000 0.437 114 D N -1.126 119.280 120.400 0.009 0.000 3.161 114 D HA 0.029 4.665 4.640 -0.006 0.000 0.287 114 D C 2.389 178.694 176.300 0.009 0.000 1.343 114 D CA 0.951 54.965 54.000 0.024 0.000 1.070 114 D CB -0.276 40.560 40.800 0.060 0.000 1.188 114 D HN 0.013 nan 8.370 nan 0.000 0.409 115 R N 1.030 121.545 120.500 0.025 0.000 2.241 115 R HA 0.084 4.421 4.340 -0.006 0.000 0.224 115 R C 1.814 178.122 176.300 0.014 0.000 1.101 115 R CA 1.906 58.020 56.100 0.024 0.000 0.995 115 R CB -1.517 28.805 30.300 0.036 0.000 0.870 115 R HN 0.451 nan 8.270 nan 0.000 0.463 116 G N -1.342 107.454 108.800 -0.007 0.000 2.176 116 G HA2 -0.258 3.698 3.960 -0.006 0.000 0.253 116 G HA3 -0.258 3.698 3.960 -0.006 0.000 0.253 116 G C 0.661 175.595 174.900 0.058 0.000 0.979 116 G CA 0.580 45.671 45.100 -0.014 0.000 0.641 116 G HN 0.860 nan 8.290 nan 0.000 0.530 117 S N 2.126 117.877 115.700 0.086 0.000 2.592 117 S HA 0.437 4.903 4.470 -0.006 0.000 0.256 117 S C -1.367 173.350 174.600 0.195 0.000 1.369 117 S CA -0.055 58.210 58.200 0.108 0.000 0.984 117 S CB 0.693 63.944 63.200 0.084 0.000 0.919 117 S HN 0.486 nan 8.310 nan 0.000 0.576 118 P HA 0.272 nan 4.420 nan 0.000 0.272 118 P C -2.747 174.500 177.300 -0.088 0.000 1.230 118 P CA -1.442 61.683 63.100 0.043 0.000 0.788 118 P CB -0.878 30.820 31.700 -0.003 0.000 0.949 119 P HA 0.191 nan 4.420 nan 0.000 0.269 119 P C -2.052 175.109 177.300 -0.231 0.000 1.215 119 P CA -0.984 61.784 63.100 -0.552 0.000 0.780 119 P CB -1.180 30.153 31.700 -0.612 0.000 0.898 120 P HA 0.162 nan 4.420 nan 0.000 0.274 120 P C -0.699 176.543 177.300 -0.098 0.000 1.237 120 P CA -0.436 62.606 63.100 -0.097 0.000 0.793 120 P CB 0.397 32.057 31.700 -0.066 0.000 0.977 121 A N 2.304 125.097 122.820 -0.045 0.000 2.580 121 A HA -0.040 4.276 4.320 -0.006 0.000 0.244 121 A C 0.700 178.259 177.584 -0.042 0.000 1.045 121 A CA 0.136 52.164 52.037 -0.015 0.000 0.761 121 A CB -0.669 18.373 19.000 0.070 0.000 0.962 121 A HN 0.570 nan 8.150 nan 0.000 0.512 122 R N 2.521 122.976 120.500 -0.074 0.000 2.248 122 R HA 0.307 4.643 4.340 -0.006 0.000 0.328 122 R C -0.219 176.032 176.300 -0.081 0.000 1.067 122 R CA 0.229 56.272 56.100 -0.095 0.000 0.924 122 R CB 0.280 30.508 30.300 -0.121 0.000 1.013 122 R HN 0.879 nan 8.270 nan 0.000 0.454 123 E N 1.940 122.106 120.200 -0.056 0.000 2.355 123 E HA 0.702 5.049 4.350 -0.006 0.000 0.261 123 E C -1.304 175.271 176.600 -0.041 0.000 0.943 123 E CA -1.319 55.053 56.400 -0.047 0.000 0.806 123 E CB 2.013 31.733 29.700 0.034 0.000 1.286 123 E HN 0.635 nan 8.360 nan 0.000 0.424 124 A N 0.820 123.618 122.820 -0.036 0.000 2.515 124 A HA 0.687 5.004 4.320 -0.006 0.000 0.296 124 A C -1.822 175.787 177.584 0.041 0.000 1.094 124 A CA -0.573 51.459 52.037 -0.007 0.000 0.718 124 A CB 1.228 20.202 19.000 -0.043 0.000 1.307 124 A HN 0.379 nan 8.150 nan 0.000 0.408 125 L N 1.129 122.401 121.223 0.082 0.000 2.341 125 L HA 0.847 5.183 4.340 -0.006 0.000 0.278 125 L C -0.060 176.897 176.870 0.145 0.000 1.005 125 L CA -0.049 54.870 54.840 0.130 0.000 0.818 125 L CB 1.638 43.800 42.059 0.171 0.000 1.259 125 L HN 1.057 nan 8.230 nan 0.000 0.418 126 A N 6.024 128.939 122.820 0.158 0.000 2.331 126 A HA 0.756 5.072 4.320 -0.006 0.000 0.320 126 A C -0.858 176.855 177.584 0.214 0.000 1.138 126 A CA -0.499 51.635 52.037 0.161 0.000 0.790 126 A CB 0.690 19.764 19.000 0.124 0.000 1.206 126 A HN 0.679 nan 8.150 nan 0.000 0.470 127 I N 2.665 123.392 120.570 0.261 0.000 2.321 127 I HA 0.375 4.541 4.170 -0.006 0.000 0.291 127 I C -0.700 175.537 176.117 0.201 0.000 0.998 127 I CA -0.608 60.888 61.300 0.327 0.000 1.227 127 I CB 1.644 39.961 38.000 0.528 0.000 1.368 127 I HN 0.287 nan 8.210 nan 0.000 0.466 128 V N 6.751 126.733 119.914 0.113 0.000 2.448 128 V HA 0.375 4.491 4.120 -0.006 0.000 0.295 128 V C -0.347 175.728 176.094 -0.032 0.000 1.025 128 V CA -0.642 61.580 62.300 -0.130 0.000 0.859 128 V CB 1.525 33.083 31.823 -0.442 0.000 0.988 128 V HN 0.318 nan 8.190 nan 0.000 0.431 129 F N 4.584 124.441 119.950 -0.156 0.000 2.424 129 F HA 0.498 5.021 4.527 -0.006 0.000 0.356 129 F C -0.030 175.752 175.800 -0.029 0.000 1.110 129 F CA -1.463 56.540 58.000 0.005 0.000 1.161 129 F CB 0.440 39.502 39.000 0.102 0.000 1.115 129 F HN 0.317 nan 8.300 nan 0.000 0.507 130 F N 2.075 122.293 119.950 0.447 0.000 2.319 130 F HA 0.404 4.928 4.527 -0.006 0.000 0.356 130 F C 1.157 176.971 175.800 0.024 0.000 1.100 130 F CA -0.881 57.244 58.000 0.208 0.000 1.220 130 F CB 0.851 39.930 39.000 0.132 0.000 1.506 130 F HN 0.579 nan 8.300 nan 0.000 0.512 131 G N 0.752 109.675 108.800 0.205 0.000 2.437 131 G HA2 0.027 3.983 3.960 -0.006 0.000 0.212 131 G HA3 0.027 3.983 3.960 -0.006 0.000 0.212 131 G C 1.315 176.202 174.900 -0.022 0.000 1.174 131 G CA 0.008 45.065 45.100 -0.073 0.000 0.811 131 G HN 0.491 nan 8.290 nan 0.000 0.537 132 R N 0.154 120.705 120.500 0.084 0.000 3.152 132 R HA 0.574 4.911 4.340 -0.006 0.000 0.209 132 R C 0.233 176.550 176.300 0.027 0.000 1.649 132 R CA 1.097 57.231 56.100 0.056 0.000 1.185 132 R CB -1.596 28.753 30.300 0.081 0.000 1.258 132 R HN 1.129 nan 8.270 nan 0.000 0.656 133 Q N 0.650 120.438 119.800 -0.019 0.000 2.468 133 Q HA 0.518 4.854 4.340 -0.006 0.000 0.263 133 Q C -2.516 173.451 176.000 -0.056 0.000 0.979 133 Q CA -0.572 55.207 55.803 -0.040 0.000 0.932 133 Q CB 1.161 29.871 28.738 -0.046 0.000 1.462 133 Q HN 0.360 nan 8.270 nan 0.000 0.403 134 P HA -0.143 nan 4.420 nan 0.000 0.215 134 P C -0.050 177.221 177.300 -0.047 0.000 1.157 134 P CA 1.284 64.360 63.100 -0.039 0.000 0.874 134 P CB 0.527 32.209 31.700 -0.031 0.000 0.790 135 Q N 0.131 119.901 119.800 -0.050 0.000 2.560 135 Q HA 0.293 4.629 4.340 -0.006 0.000 0.238 135 Q C -2.355 173.604 176.000 -0.068 0.000 1.079 135 Q CA -1.762 54.013 55.803 -0.047 0.000 0.866 135 Q CB 0.836 29.559 28.738 -0.025 0.000 1.153 135 Q HN 0.267 nan 8.270 nan 0.000 0.530 136 P HA 0.097 nan 4.420 nan 0.000 0.275 136 P C -0.666 176.584 177.300 -0.084 0.000 1.227 136 P CA -0.193 62.754 63.100 -0.255 0.000 0.781 136 P CB 0.664 31.912 31.700 -0.753 0.000 0.906 137 N N 0.249 119.021 118.700 0.120 0.000 2.455 137 N HA 0.427 5.163 4.740 -0.006 0.000 0.278 137 N C -1.552 174.189 175.510 0.386 0.000 1.291 137 N CA -1.038 52.161 53.050 0.248 0.000 0.780 137 N CB 0.817 39.400 38.487 0.159 0.000 1.520 137 N HN 0.014 nan 8.380 nan 0.000 0.486 138 V N 0.403 120.418 119.914 0.167 0.000 2.481 138 V HA 0.627 4.744 4.120 -0.006 0.000 0.286 138 V C -0.097 176.082 176.094 0.141 0.000 1.042 138 V CA -0.377 61.986 62.300 0.105 0.000 0.928 138 V CB 1.086 32.803 31.823 -0.177 0.000 0.986 138 V HN 0.789 nan 8.190 nan 0.000 0.462 139 S N 2.916 118.755 115.700 0.231 0.000 2.542 139 S HA 0.530 4.997 4.470 -0.006 0.000 0.293 139 S C -0.754 174.002 174.600 0.259 0.000 1.089 139 S CA -0.740 57.623 58.200 0.272 0.000 0.961 139 S CB 1.823 65.298 63.200 0.459 0.000 1.062 139 S HN 0.792 nan 8.310 nan 0.000 0.483 140 E N 1.488 121.843 120.200 0.260 0.000 2.133 140 E HA 0.475 4.821 4.350 -0.006 0.000 0.274 140 E C -1.488 175.247 176.600 0.225 0.000 0.930 140 E CA -0.620 55.940 56.400 0.266 0.000 0.770 140 E CB 0.984 30.858 29.700 0.290 0.000 1.104 140 E HN 0.130 nan 8.360 nan 0.000 0.403 141 L N 3.573 124.924 121.223 0.214 0.000 2.349 141 L HA 0.343 4.679 4.340 -0.006 0.000 0.278 141 L C -0.760 176.210 176.870 0.167 0.000 0.996 141 L CA -0.855 54.102 54.840 0.196 0.000 0.825 141 L CB 1.833 44.018 42.059 0.210 0.000 1.243 141 L HN 0.319 nan 8.230 nan 0.000 0.412 142 V N 4.690 124.700 119.914 0.160 0.000 2.406 142 V HA 0.475 4.592 4.120 -0.006 0.000 0.272 142 V C -0.024 176.144 176.094 0.123 0.000 1.043 142 V CA -0.577 61.809 62.300 0.142 0.000 0.915 142 V CB 1.654 33.572 31.823 0.159 0.000 0.988 142 V HN 0.441 nan 8.190 nan 0.000 0.466 143 V N 4.658 124.574 119.914 0.004 0.000 2.448 143 V HA 0.987 5.103 4.120 -0.006 0.000 0.295 143 V C 0.545 176.392 176.094 -0.412 0.000 1.025 143 V CA 0.188 62.361 62.300 -0.213 0.000 0.859 143 V CB 1.318 33.023 31.823 -0.197 0.000 0.988 143 V HN 1.054 nan 8.190 nan 0.000 0.431 144 G N 5.367 113.595 108.800 -0.953 0.000 2.554 144 G HA2 0.672 4.628 3.960 -0.006 0.000 0.306 144 G HA3 0.672 4.628 3.960 -0.006 0.000 0.306 144 G C -3.490 170.541 174.900 -1.449 0.000 1.320 144 G CA -0.849 43.681 45.100 -0.949 0.000 0.800 144 G HN 0.466 nan 8.290 nan 0.000 0.481 145 P HA 0.563 nan 4.420 nan 0.000 0.300 145 P C -0.586 176.574 177.300 -0.235 0.000 1.326 145 P CA -0.562 62.383 63.100 -0.258 0.000 0.844 145 P CB 1.795 33.484 31.700 -0.018 0.000 0.992 146 L N 5.781 126.874 121.223 -0.216 0.000 2.452 146 L HA 0.205 4.541 4.340 -0.006 0.000 0.267 146 L C -0.560 176.214 176.870 -0.160 0.000 1.188 146 L CA -0.874 53.835 54.840 -0.217 0.000 0.821 146 L CB -0.476 41.463 42.059 -0.200 0.000 1.102 146 L HN 0.368 nan 8.230 nan 0.000 0.470 147 P HA -0.063 nan 4.420 nan 0.000 0.236 147 P C -0.152 176.728 177.300 -0.700 0.000 1.177 147 P CA 1.096 63.990 63.100 -0.343 0.000 0.773 147 P CB 0.330 31.893 31.700 -0.229 0.000 0.878 148 H N 0.686 119.702 119.070 -0.091 0.000 2.854 148 H HA 0.292 4.844 4.556 -0.006 0.000 0.275 148 H C -2.320 172.926 175.328 -0.138 0.000 1.198 148 H CA -2.057 53.941 56.048 -0.082 0.000 1.489 148 H CB 1.287 31.028 29.762 -0.036 0.000 1.519 148 H HN 0.161 nan 8.280 nan 0.000 0.503 149 P HA 0.013 nan 4.420 nan 0.000 0.271 149 P C 0.767 177.803 177.300 -0.439 0.000 1.218 149 P CA 0.029 62.825 63.100 -0.508 0.000 0.780 149 P CB 1.518 32.724 31.700 -0.824 0.000 0.901 150 S N 1.159 116.584 115.700 -0.459 0.000 2.663 150 S HA 0.114 4.580 4.470 -0.006 0.000 0.247 150 S C 0.453 175.105 174.600 0.086 0.000 1.074 150 S CA -0.267 57.921 58.200 -0.020 0.000 0.955 150 S CB -0.499 62.758 63.200 0.095 0.000 0.901 150 S HN 0.527 nan 8.310 nan 0.000 0.505 151 Y N 0.522 120.755 120.300 -0.111 0.000 2.675 151 Y HA 0.862 5.408 4.550 -0.006 0.000 0.328 151 Y C -0.525 175.367 175.900 -0.013 0.000 1.092 151 Y CA -1.732 56.392 58.100 0.039 0.000 1.190 151 Y CB 1.116 39.589 38.460 0.021 0.000 1.350 151 Y HN 0.237 nan 8.280 nan 0.000 0.525 152 M N 2.224 122.060 119.600 0.394 0.000 2.296 152 M HA 0.444 4.920 4.480 -0.006 0.000 0.268 152 M C -2.320 174.150 176.300 0.284 0.000 1.048 152 M CA -0.441 55.042 55.300 0.305 0.000 0.966 152 M CB 2.008 34.849 32.600 0.401 0.000 1.912 152 M HN 0.993 nan 8.290 nan 0.000 0.484 153 R N 2.899 123.545 120.500 0.245 0.000 2.513 153 R HA 0.409 4.745 4.340 -0.006 0.000 0.301 153 R C -1.517 174.878 176.300 0.158 0.000 0.968 153 R CA -0.441 55.764 56.100 0.175 0.000 0.872 153 R CB 1.575 31.957 30.300 0.137 0.000 1.177 153 R HN 0.860 nan 8.270 nan 0.000 0.444 154 D N 3.539 124.024 120.400 0.142 0.000 2.336 154 D HA 0.039 4.676 4.640 -0.006 0.000 0.249 154 D C 1.017 177.383 176.300 0.111 0.000 1.213 154 D CA -0.267 53.821 54.000 0.146 0.000 0.870 154 D CB 1.455 42.342 40.800 0.145 0.000 1.076 154 D HN 0.347 nan 8.370 nan 0.000 0.483 155 V N 0.981 120.962 119.914 0.112 0.000 3.621 155 V HA 0.056 4.172 4.120 -0.006 0.000 0.285 155 V C 1.698 177.817 176.094 0.042 0.000 1.346 155 V CA 0.491 62.833 62.300 0.069 0.000 1.104 155 V CB -0.309 31.555 31.823 0.068 0.000 0.913 155 V HN 0.508 nan 8.190 nan 0.000 0.432 156 T N 2.213 116.824 114.554 0.094 0.000 2.597 156 T HA -0.223 4.123 4.350 -0.006 0.000 0.267 156 T C 1.900 176.636 174.700 0.059 0.000 1.053 156 T CA 2.526 64.696 62.100 0.116 0.000 1.165 156 T CB -0.459 68.509 68.868 0.167 0.000 0.863 156 T HN 0.467 nan 8.240 nan 0.000 0.427 157 V N 1.046 120.996 119.914 0.060 0.000 2.453 157 V HA -0.108 4.009 4.120 -0.006 0.000 0.247 157 V C 2.443 178.547 176.094 0.017 0.000 1.048 157 V CA 1.468 63.797 62.300 0.048 0.000 1.049 157 V CB -0.691 31.160 31.823 0.046 0.000 0.672 157 V HN 0.481 nan 8.190 nan 0.000 0.457 158 E N 0.454 120.655 120.200 0.002 0.000 2.021 158 E HA -0.263 4.083 4.350 -0.006 0.000 0.200 158 E C 2.559 179.126 176.600 -0.056 0.000 1.015 158 E CA 1.897 58.288 56.400 -0.015 0.000 0.824 158 E CB -0.068 29.626 29.700 -0.009 0.000 0.762 158 E HN 0.524 nan 8.360 nan 0.000 0.454 159 R N -0.816 119.597 120.500 -0.145 0.000 2.057 159 R HA -0.060 4.276 4.340 -0.006 0.000 0.229 159 R C 2.002 178.125 176.300 -0.295 0.000 1.136 159 R CA 1.269 57.191 56.100 -0.298 0.000 0.952 159 R CB -0.168 29.811 30.300 -0.536 0.000 0.848 159 R HN 0.338 nan 8.270 nan 0.000 0.430 160 H N -1.121 117.995 119.070 0.075 0.000 2.549 160 H HA 0.222 4.774 4.556 -0.006 0.000 0.279 160 H C 0.908 176.265 175.328 0.048 0.000 1.018 160 H CA 0.539 56.627 56.048 0.067 0.000 1.175 160 H CB 0.817 30.614 29.762 0.059 0.000 1.485 160 H HN 0.483 nan 8.280 nan 0.000 0.543 161 G N 0.807 109.664 108.800 0.094 0.000 2.249 161 G HA2 -0.114 3.842 3.960 -0.006 0.000 0.273 161 G HA3 -0.114 3.842 3.960 -0.006 0.000 0.273 161 G C 0.590 175.532 174.900 0.070 0.000 1.036 161 G CA 0.720 45.861 45.100 0.068 0.000 0.824 161 G HN 0.916 nan 8.290 nan 0.000 0.504 162 G N -1.448 107.401 108.800 0.081 0.000 2.336 162 G HA2 0.632 4.588 3.960 -0.006 0.000 0.300 162 G HA3 0.632 4.588 3.960 -0.006 0.000 0.300 162 G C -3.046 171.896 174.900 0.070 0.000 1.375 162 G CA 0.030 45.168 45.100 0.064 0.000 0.885 162 G HN 0.603 nan 8.290 nan 0.000 0.599 163 P HA 0.391 nan 4.420 nan 0.000 0.272 163 P C -0.278 177.017 177.300 -0.008 0.000 1.223 163 P CA -0.271 62.852 63.100 0.037 0.000 0.784 163 P CB 1.061 32.779 31.700 0.031 0.000 0.923 164 L N 3.797 124.986 121.223 -0.056 0.000 2.261 164 L HA 0.291 4.628 4.340 -0.006 0.000 0.289 164 L C -1.984 174.765 176.870 -0.201 0.000 1.059 164 L CA -2.124 52.587 54.840 -0.214 0.000 0.816 164 L CB 0.568 42.377 42.059 -0.418 0.000 1.191 164 L HN 0.184 nan 8.230 nan 0.000 0.431 165 P HA -0.144 nan 4.420 nan 0.000 0.265 165 P C 0.035 177.160 177.300 -0.290 0.000 1.187 165 P CA 0.241 63.206 63.100 -0.224 0.000 0.766 165 P CB 0.403 31.881 31.700 -0.369 0.000 0.820 166 Y N 3.188 123.350 120.300 -0.230 0.000 2.352 166 Y HA -0.217 4.329 4.550 -0.006 0.000 0.292 166 Y C 2.386 178.145 175.900 -0.236 0.000 1.136 166 Y CA 1.630 59.601 58.100 -0.215 0.000 1.227 166 Y CB -0.505 37.904 38.460 -0.085 0.000 0.991 166 Y HN 0.522 nan 8.280 nan 0.000 0.545 167 H N -1.339 117.698 119.070 -0.056 0.000 2.521 167 H HA 0.012 4.564 4.556 -0.006 0.000 0.286 167 H C 1.525 176.764 175.328 -0.148 0.000 1.034 167 H CA 1.001 56.986 56.048 -0.106 0.000 1.278 167 H CB -0.324 29.415 29.762 -0.038 0.000 1.386 167 H HN 0.310 nan 8.280 nan 0.000 0.567 168 R N 1.474 121.651 120.500 -0.539 0.000 2.280 168 R HA 0.012 4.348 4.340 -0.006 0.000 0.207 168 R C 0.961 177.134 176.300 -0.210 0.000 1.043 168 R CA 0.034 55.953 56.100 -0.301 0.000 1.006 168 R CB 0.009 30.087 30.300 -0.371 0.000 0.885 168 R HN 0.427 nan 8.270 nan 0.000 0.467 169 R N 2.377 122.608 120.500 -0.449 0.000 2.623 169 R HA 0.124 4.460 4.340 -0.006 0.000 0.271 169 R C -2.604 173.454 176.300 -0.403 0.000 1.043 169 R CA -1.609 54.127 56.100 -0.607 0.000 1.083 169 R CB -0.120 29.329 30.300 -1.418 0.000 0.974 169 R HN -0.239 nan 8.270 nan 0.000 0.436 170 P HA -0.036 nan 4.420 nan 0.000 0.269 170 P C -0.566 176.663 177.300 -0.118 0.000 1.209 170 P CA -0.324 62.658 63.100 -0.198 0.000 0.776 170 P CB 0.564 32.176 31.700 -0.146 0.000 0.876 171 V N 4.505 124.370 119.914 -0.082 0.000 2.479 171 V HA -0.020 4.096 4.120 -0.006 0.000 0.281 171 V C 0.960 177.076 176.094 0.035 0.000 1.031 171 V CA 0.208 62.425 62.300 -0.139 0.000 1.038 171 V CB -0.582 30.983 31.823 -0.431 0.000 0.981 171 V HN 0.367 nan 8.190 nan 0.000 0.478 172 L N 4.189 125.502 121.223 0.151 0.000 2.476 172 L HA 0.124 4.461 4.340 -0.006 0.000 0.264 172 L C 1.377 178.501 176.870 0.424 0.000 1.224 172 L CA -0.112 54.954 54.840 0.377 0.000 0.821 172 L CB 0.054 42.339 42.059 0.376 0.000 1.101 172 L HN 0.668 nan 8.230 nan 0.000 0.488 173 F N 1.082 121.278 119.950 0.410 0.000 2.102 173 F HA -0.251 4.272 4.527 -0.006 0.000 0.298 173 F C 2.402 178.414 175.800 0.353 0.000 1.105 173 F CA 1.846 60.116 58.000 0.449 0.000 1.239 173 F CB -0.186 39.008 39.000 0.324 0.000 0.991 173 F HN 0.587 nan 8.300 nan 0.000 0.474 174 Q N 0.899 120.769 119.800 0.117 0.000 2.124 174 Q HA -0.241 4.096 4.340 -0.006 0.000 0.202 174 Q C 2.248 178.276 176.000 0.046 0.000 0.977 174 Q CA 2.204 57.998 55.803 -0.014 0.000 0.850 174 Q CB -0.620 28.187 28.738 0.116 0.000 0.901 174 Q HN 0.661 nan 8.270 nan 0.000 0.429 175 E N -1.430 118.841 120.200 0.119 0.000 2.085 175 E HA -0.232 4.115 4.350 -0.006 0.000 0.194 175 E C 1.486 178.103 176.600 0.029 0.000 0.994 175 E CA 1.293 57.767 56.400 0.124 0.000 0.801 175 E CB -0.196 29.534 29.700 0.049 0.000 0.743 175 E HN 0.516 nan 8.360 nan 0.000 0.453 176 Y N 0.534 120.880 120.300 0.077 0.000 2.181 176 Y HA -0.172 4.374 4.550 -0.006 0.000 0.288 176 Y C 2.194 178.075 175.900 -0.031 0.000 1.146 176 Y CA 1.129 59.259 58.100 0.050 0.000 1.164 176 Y CB -0.304 38.254 38.460 0.164 0.000 0.982 176 Y HN 0.079 nan 8.280 nan 0.000 0.515 177 L N -0.482 120.750 121.223 0.015 0.000 2.017 177 L HA -0.245 4.091 4.340 -0.006 0.000 0.208 177 L C 2.031 178.923 176.870 0.036 0.000 1.073 177 L CA 1.401 56.212 54.840 -0.050 0.000 0.745 177 L CB -0.570 41.363 42.059 -0.211 0.000 0.894 177 L HN 0.173 nan 8.230 nan 0.000 0.432 178 D N 0.417 120.862 120.400 0.076 0.000 2.104 178 D HA -0.200 4.436 4.640 -0.006 0.000 0.194 178 D C 2.247 178.673 176.300 0.210 0.000 0.994 178 D CA 1.408 55.486 54.000 0.129 0.000 0.830 178 D CB -0.232 40.662 40.800 0.158 0.000 0.959 178 D HN 0.301 nan 8.370 nan 0.000 0.452 179 I N 1.060 121.772 120.570 0.237 0.000 2.194 179 I HA -0.276 3.890 4.170 -0.006 0.000 0.246 179 I C 1.798 177.908 176.117 -0.011 0.000 1.093 179 I CA 1.204 62.550 61.300 0.077 0.000 1.355 179 I CB -0.113 37.749 38.000 -0.230 0.000 1.046 179 I HN -0.110 nan 8.210 nan 0.000 0.413 180 D N 0.166 120.590 120.400 0.040 0.000 2.144 180 D HA -0.164 4.473 4.640 -0.006 0.000 0.200 180 D C 2.209 178.654 176.300 0.242 0.000 0.978 180 D CA 0.897 54.997 54.000 0.167 0.000 0.833 180 D CB -0.181 40.762 40.800 0.238 0.000 0.961 180 D HN 0.353 nan 8.370 nan 0.000 0.470 181 Q N -0.099 119.791 119.800 0.150 0.000 2.014 181 Q HA -0.210 4.126 4.340 -0.006 0.000 0.207 181 Q C 2.222 178.290 176.000 0.114 0.000 0.993 181 Q CA 1.447 57.326 55.803 0.126 0.000 0.850 181 Q CB -0.197 28.581 28.738 0.068 0.000 0.916 181 Q HN 0.310 nan 8.270 nan 0.000 0.417 182 M N 0.324 119.980 119.600 0.092 0.000 2.088 182 M HA -0.257 4.219 4.480 -0.006 0.000 0.256 182 M C 1.962 178.270 176.300 0.015 0.000 1.071 182 M CA 1.790 57.132 55.300 0.070 0.000 1.097 182 M CB -0.178 32.497 32.600 0.125 0.000 1.315 182 M HN 0.224 nan 8.290 nan 0.000 0.406 183 I N -0.511 120.023 120.570 -0.060 0.000 2.179 183 I HA -0.297 3.869 4.170 -0.006 0.000 0.242 183 I C 1.907 177.869 176.117 -0.259 0.000 1.088 183 I CA 1.519 62.674 61.300 -0.242 0.000 1.357 183 I CB -0.370 37.344 38.000 -0.476 0.000 1.051 183 I HN 0.259 nan 8.210 nan 0.000 0.409 184 F N 0.472 120.431 119.950 0.015 0.000 2.387 184 F HA -0.032 4.492 4.527 -0.006 0.000 0.294 184 F C 2.268 178.106 175.800 0.063 0.000 1.093 184 F CA 0.723 58.752 58.000 0.050 0.000 1.420 184 F CB -0.452 38.574 39.000 0.044 0.000 1.086 184 F HN 0.062 nan 8.300 nan 0.000 0.531 185 N N 0.162 118.984 118.700 0.203 0.000 2.176 185 N HA -0.012 4.724 4.740 -0.006 0.000 0.187 185 N C 1.906 177.466 175.510 0.084 0.000 1.043 185 N CA 0.919 54.046 53.050 0.128 0.000 0.851 185 N CB -0.566 37.976 38.487 0.093 0.000 1.018 185 N HN 0.067 nan 8.380 nan 0.000 0.436 186 R N 0.619 121.152 120.500 0.055 0.000 2.090 186 R HA 0.080 4.416 4.340 -0.006 0.000 0.228 186 R C 1.668 177.976 176.300 0.014 0.000 1.110 186 R CA 1.047 57.167 56.100 0.032 0.000 0.973 186 R CB 0.224 30.540 30.300 0.028 0.000 0.869 186 R HN 0.267 nan 8.270 nan 0.000 0.440 187 E N -0.345 119.848 120.200 -0.011 0.000 2.192 187 E HA 0.043 4.389 4.350 -0.006 0.000 0.196 187 E C 2.029 178.579 176.600 -0.085 0.000 0.922 187 E CA 0.347 56.717 56.400 -0.050 0.000 0.924 187 E CB -0.244 29.411 29.700 -0.075 0.000 0.911 187 E HN 0.193 nan 8.360 nan 0.000 0.478 188 L N 1.464 122.612 121.223 -0.125 0.000 2.127 188 L HA -0.127 4.209 4.340 -0.006 0.000 0.211 188 L C -0.624 176.146 176.870 -0.167 0.000 1.089 188 L CA 1.223 55.940 54.840 -0.205 0.000 0.757 188 L CB -1.405 40.499 42.059 -0.258 0.000 0.899 188 L HN 0.094 nan 8.230 nan 0.000 0.434 189 P HA -0.185 nan 4.420 nan 0.000 0.220 189 P C 1.280 178.593 177.300 0.022 0.000 1.148 189 P CA 1.115 64.274 63.100 0.099 0.000 0.803 189 P CB -0.022 31.762 31.700 0.140 0.000 0.782 190 Q N -1.052 118.733 119.800 -0.025 0.000 2.439 190 Q HA -0.021 4.315 4.340 -0.006 0.000 0.211 190 Q C 1.260 177.213 176.000 -0.078 0.000 0.978 190 Q CA 1.166 56.946 55.803 -0.039 0.000 0.897 190 Q CB -0.290 28.422 28.738 -0.044 0.000 0.956 190 Q HN 0.197 nan 8.270 nan 0.000 0.483 191 A N 0.209 122.944 122.820 -0.143 0.000 2.610 191 A HA 0.147 4.463 4.320 -0.006 0.000 0.291 191 A C 1.566 179.011 177.584 -0.232 0.000 1.116 191 A CA -0.039 51.875 52.037 -0.206 0.000 0.963 191 A CB 0.171 18.988 19.000 -0.305 0.000 1.220 191 A HN 0.250 nan 8.150 nan 0.000 0.530 192 S N -0.714 114.918 115.700 -0.113 0.000 2.440 192 S HA -0.087 4.379 4.470 -0.006 0.000 0.238 192 S C 1.879 176.609 174.600 0.218 0.000 1.010 192 S CA 1.523 59.755 58.200 0.053 0.000 0.972 192 S CB -0.648 62.781 63.200 0.381 0.000 0.774 192 S HN 0.705 nan 8.310 nan 0.000 0.501 193 G N 2.237 111.092 108.800 0.093 0.000 2.453 193 G HA2 -0.138 3.819 3.960 -0.006 0.000 0.215 193 G HA3 -0.138 3.819 3.960 -0.006 0.000 0.215 193 G C 1.318 176.223 174.900 0.008 0.000 1.201 193 G CA 1.010 46.196 45.100 0.143 0.000 0.784 193 G HN 0.486 nan 8.290 nan 0.000 0.545 194 L N 0.711 121.702 121.223 -0.387 0.000 1.989 194 L HA 0.001 4.338 4.340 -0.006 0.000 0.211 194 L C 2.773 179.339 176.870 -0.508 0.000 1.071 194 L CA 1.554 55.792 54.840 -1.002 0.000 0.749 194 L CB -0.626 40.818 42.059 -1.026 0.000 0.890 194 L HN 0.246 nan 8.230 nan 0.000 0.431 195 L N -1.345 119.655 121.223 -0.372 0.000 2.083 195 L HA -0.256 4.081 4.340 -0.006 0.000 0.209 195 L C 2.510 179.312 176.870 -0.113 0.000 1.083 195 L CA 1.348 56.003 54.840 -0.309 0.000 0.752 195 L CB -0.836 40.873 42.059 -0.583 0.000 0.899 195 L HN 0.392 nan 8.230 nan 0.000 0.433 196 H N -1.948 117.116 119.070 -0.010 0.000 2.387 196 H HA -0.187 4.365 4.556 -0.006 0.000 0.299 196 H C 2.303 177.615 175.328 -0.027 0.000 1.090 196 H CA 1.710 57.790 56.048 0.054 0.000 1.332 196 H CB -0.050 29.771 29.762 0.098 0.000 1.386 196 H HN 0.327 nan 8.280 nan 0.000 0.516 197 H N -0.521 118.519 119.070 -0.049 0.000 2.428 197 H HA -0.079 4.473 4.556 -0.006 0.000 0.296 197 H C 1.716 176.926 175.328 -0.196 0.000 1.062 197 H CA 1.525 57.515 56.048 -0.097 0.000 1.350 197 H CB 0.233 29.950 29.762 -0.075 0.000 1.403 197 H HN 0.580 nan 8.280 nan 0.000 0.533 198 C N -1.704 117.438 119.300 -0.263 0.000 2.935 198 C HA 0.365 4.821 4.460 -0.006 0.000 0.308 198 C C 1.692 176.539 174.990 -0.239 0.000 1.263 198 C CA -0.160 58.690 59.018 -0.280 0.000 1.738 198 C CB -0.661 26.985 27.740 -0.156 0.000 2.237 198 C HN 0.571 nan 8.230 nan 0.000 0.600 199 C N -0.856 118.306 119.300 -0.229 0.000 3.722 199 C HA 0.461 4.917 4.460 -0.006 0.000 0.279 199 C C 0.321 175.510 174.990 0.332 0.000 1.819 199 C CA -0.514 58.592 59.018 0.146 0.000 1.744 199 C CB -2.007 25.783 27.740 0.085 0.000 3.247 199 C HN 0.555 nan 8.230 nan 0.000 0.549 200 F N -0.836 119.186 119.950 0.120 0.000 3.090 200 F HA -0.241 4.283 4.527 -0.006 0.000 0.282 200 F C 0.515 176.343 175.800 0.046 0.000 0.923 200 F CA 0.368 58.405 58.000 0.062 0.000 0.977 200 F CB -2.468 36.544 39.000 0.020 0.000 0.954 200 F HN 0.472 nan 8.300 nan 0.000 0.695 201 Y N 1.357 121.601 120.300 -0.092 0.000 2.578 201 Y HA 0.455 5.001 4.550 -0.006 0.000 0.339 201 Y C 0.347 176.032 175.900 -0.358 0.000 1.231 201 Y CA 0.397 58.363 58.100 -0.223 0.000 1.461 201 Y CB 0.349 38.596 38.460 -0.355 0.000 1.323 201 Y HN 0.351 nan 8.280 nan 0.000 0.590 207 N N 1.777 120.493 118.700 0.026 0.000 2.235 207 N HA 0.287 5.023 4.740 -0.006 0.000 0.209 207 N C 0.024 175.643 175.510 0.180 0.000 1.122 207 N CA 0.183 53.284 53.050 0.084 0.000 0.845 207 N CB 0.507 39.060 38.487 0.109 0.000 1.004 207 N HN 0.572 nan 8.380 nan 0.000 0.499 208 L N 0.514 121.843 121.223 0.178 0.000 2.341 208 L HA 0.647 4.983 4.340 -0.006 0.000 0.267 208 L C -0.409 176.581 176.870 0.201 0.000 1.009 208 L CA -1.361 53.624 54.840 0.241 0.000 0.819 208 L CB 2.256 44.522 42.059 0.344 0.000 1.323 208 L HN -0.107 nan 8.230 nan 0.000 0.425 209 V N -1.984 118.023 119.914 0.156 0.000 3.078 209 V HA 0.810 4.926 4.120 -0.006 0.000 0.311 209 V C -0.264 175.934 176.094 0.173 0.000 1.138 209 V CA -0.605 61.736 62.300 0.068 0.000 1.007 209 V CB 1.770 33.408 31.823 -0.308 0.000 1.045 209 V HN 0.854 nan 8.190 nan 0.000 0.432 210 T N 0.609 115.285 114.554 0.203 0.000 2.925 210 T HA 0.772 5.119 4.350 -0.006 0.000 0.285 210 T C -0.547 174.386 174.700 0.390 0.000 1.021 210 T CA -0.616 61.679 62.100 0.324 0.000 1.042 210 T CB 1.820 70.836 68.868 0.246 0.000 1.037 210 T HN 1.053 nan 8.240 nan 0.000 0.481 211 M N 2.473 122.442 119.600 0.615 0.000 2.326 211 M HA 0.383 4.859 4.480 -0.006 0.000 0.306 211 M C 0.071 176.700 176.300 0.549 0.000 1.054 211 M CA -0.561 55.078 55.300 0.566 0.000 0.922 211 M CB 2.233 35.179 32.600 0.576 0.000 1.632 211 M HN 0.969 nan 8.290 nan 0.000 0.436 212 T N 2.267 117.086 114.554 0.441 0.000 2.734 212 T HA 0.410 4.757 4.350 -0.006 0.000 0.314 212 T C 0.079 174.889 174.700 0.183 0.000 1.057 212 T CA 0.322 62.496 62.100 0.125 0.000 1.047 212 T CB 0.447 69.564 68.868 0.415 0.000 0.991 212 T HN 0.872 nan 8.240 nan 0.000 0.540 213 T N -0.694 113.889 114.554 0.049 0.000 2.742 213 T HA 0.860 5.206 4.350 -0.006 0.000 0.282 213 T C -0.855 173.920 174.700 0.124 0.000 1.025 213 T CA -0.412 61.741 62.100 0.088 0.000 1.020 213 T CB 1.500 70.342 68.868 -0.044 0.000 1.317 213 T HN 1.093 nan 8.240 nan 0.000 0.538 214 A N 0.673 123.453 122.820 -0.065 0.000 2.601 214 A HA 0.854 5.170 4.320 -0.006 0.000 0.291 214 A C -3.145 174.396 177.584 -0.071 0.000 1.075 214 A CA -1.506 50.562 52.037 0.052 0.000 0.671 214 A CB 0.776 19.944 19.000 0.279 0.000 1.277 214 A HN 0.733 nan 8.150 nan 0.000 0.417 215 P HA 0.324 nan 4.420 nan 0.000 0.286 215 P C -0.894 176.501 177.300 0.159 0.000 1.293 215 P CA -0.185 62.951 63.100 0.060 0.000 0.770 215 P CB 0.480 32.120 31.700 -0.100 0.000 1.206 216 R N 0.168 120.799 120.500 0.220 0.000 2.790 216 R HA 0.601 4.938 4.340 -0.006 0.000 0.274 216 R C 0.538 176.950 176.300 0.188 0.000 1.334 216 R CA -0.299 55.898 56.100 0.162 0.000 1.543 216 R CB 0.166 30.515 30.300 0.081 0.000 1.154 216 R HN 0.868 nan 8.270 nan 0.000 0.601 217 G N 0.408 109.345 108.800 0.229 0.000 2.250 217 G HA2 -0.127 3.830 3.960 -0.006 0.000 0.252 217 G HA3 -0.127 3.830 3.960 -0.006 0.000 0.252 217 G C -0.341 174.630 174.900 0.119 0.000 1.325 217 G CA -0.916 44.234 45.100 0.084 0.000 1.091 217 G HN 0.292 nan 8.290 nan 0.000 0.476 218 L N 0.303 121.357 121.223 -0.282 0.000 3.259 218 L HA 0.557 4.893 4.340 -0.006 0.000 0.292 218 L C 0.246 176.473 176.870 -1.072 0.000 1.219 218 L CA 0.237 54.884 54.840 -0.322 0.000 1.035 218 L CB 0.980 42.938 42.059 -0.168 0.000 1.424 218 L HN 0.738 nan 8.230 nan 0.000 0.603 219 Q N -0.070 118.532 119.800 -1.995 0.000 2.617 219 Q HA 0.194 4.530 4.340 -0.006 0.000 0.270 219 Q C -1.093 174.176 176.000 -1.218 0.000 0.967 219 Q CA -0.281 54.580 55.803 -1.570 0.000 0.887 219 Q CB 2.044 30.347 28.738 -0.725 0.000 1.516 219 Q HN -0.013 nan 8.270 nan 0.000 0.395 220 S N 0.937 116.304 115.700 -0.555 0.000 2.546 220 S HA 0.444 4.910 4.470 -0.006 0.000 0.290 220 S C 1.056 175.476 174.600 -0.300 0.000 1.290 220 S CA 1.934 60.096 58.200 -0.063 0.000 1.069 220 S CB -0.023 63.246 63.200 0.115 0.000 0.846 220 S HN 1.235 nan 8.310 nan 0.000 0.495 221 G N 4.470 112.947 108.800 -0.538 0.000 2.308 221 G HA2 -0.189 3.768 3.960 -0.006 0.000 0.221 221 G HA3 -0.189 3.768 3.960 -0.006 0.000 0.221 221 G C -0.200 174.385 174.900 -0.526 0.000 1.032 221 G CA 0.055 44.581 45.100 -0.958 0.000 0.623 221 G HN 0.695 nan 8.290 nan 0.000 0.506 222 D N 0.210 120.403 120.400 -0.344 0.000 2.400 222 D HA 0.505 5.141 4.640 -0.006 0.000 0.238 222 D C 1.031 177.242 176.300 -0.147 0.000 1.157 222 D CA 0.325 54.179 54.000 -0.242 0.000 0.889 222 D CB 0.758 41.395 40.800 -0.272 0.000 1.199 222 D HN 0.441 nan 8.370 nan 0.000 0.436 223 R N 0.291 120.662 120.500 -0.216 0.000 2.583 223 R HA 0.456 4.792 4.340 -0.006 0.000 0.282 223 R C -1.495 174.485 176.300 -0.533 0.000 1.288 223 R CA -0.302 55.591 56.100 -0.345 0.000 1.415 223 R CB 0.268 30.325 30.300 -0.406 0.000 1.331 223 R HN 0.393 nan 8.270 nan 0.000 0.719 224 A N 0.777 123.429 122.820 -0.280 0.000 2.288 224 A HA 0.636 4.953 4.320 -0.006 0.000 0.320 224 A C -0.570 176.954 177.584 -0.100 0.000 1.217 224 A CA -0.332 51.575 52.037 -0.216 0.000 0.840 224 A CB 1.473 20.357 19.000 -0.194 0.000 1.179 224 A HN 0.254 nan 8.150 nan 0.000 0.504 225 T N 2.216 116.773 114.554 0.004 0.000 2.812 225 T HA 0.384 4.730 4.350 -0.006 0.000 0.282 225 T C -0.780 173.881 174.700 -0.065 0.000 0.990 225 T CA -0.046 62.062 62.100 0.014 0.000 0.960 225 T CB 0.497 69.419 68.868 0.089 0.000 0.948 225 T HN 0.601 nan 8.240 nan 0.000 0.438 226 W N 2.847 124.112 121.300 -0.058 0.000 2.253 226 W HA 0.508 5.164 4.660 -0.006 0.000 0.322 226 W C -0.473 175.961 176.519 -0.143 0.000 1.342 226 W CA -0.481 56.864 57.345 -0.001 0.000 1.218 226 W CB 0.335 29.794 29.460 -0.002 0.000 1.205 226 W HN 0.515 nan 8.180 nan 0.000 0.551 227 F N 2.419 122.598 119.950 0.383 0.000 2.493 227 F HA 0.533 5.057 4.527 -0.006 0.000 0.329 227 F C 0.899 176.874 175.800 0.292 0.000 1.126 227 F CA -0.926 57.259 58.000 0.310 0.000 0.937 227 F CB 1.254 40.381 39.000 0.211 0.000 1.146 227 F HN 0.318 nan 8.300 nan 0.000 0.442 228 G N 3.344 112.418 108.800 0.457 0.000 2.476 228 G HA2 0.580 4.536 3.960 -0.006 0.000 0.286 228 G HA3 0.580 4.536 3.960 -0.006 0.000 0.286 228 G C -1.290 173.654 174.900 0.074 0.000 1.177 228 G CA -0.497 44.755 45.100 0.253 0.000 0.870 228 G HN 0.421 nan 8.290 nan 0.000 0.528 229 L N 0.701 121.700 121.223 -0.373 0.000 2.362 229 L HA 0.538 4.874 4.340 -0.006 0.000 0.275 229 L C -1.091 175.464 176.870 -0.525 0.000 0.998 229 L CA -0.676 54.006 54.840 -0.264 0.000 0.820 229 L CB 1.418 43.352 42.059 -0.209 0.000 1.270 229 L HN 0.568 nan 8.230 nan 0.000 0.415 230 Y N 1.182 121.452 120.300 -0.049 0.000 2.581 230 Y HA 0.425 4.971 4.550 -0.006 0.000 0.345 230 Y C -0.440 175.451 175.900 -0.015 0.000 1.036 230 Y CA -1.035 57.055 58.100 -0.016 0.000 1.042 230 Y CB 1.583 40.179 38.460 0.228 0.000 1.289 230 Y HN 0.274 nan 8.280 nan 0.000 0.471 231 Y N 1.194 121.668 120.300 0.291 0.000 2.526 231 Y HA -0.019 4.527 4.550 -0.006 0.000 0.330 231 Y C 0.886 176.862 175.900 0.127 0.000 1.156 231 Y CA -0.576 57.636 58.100 0.188 0.000 1.419 231 Y CB 0.094 38.662 38.460 0.180 0.000 1.250 231 Y HN 0.491 nan 8.280 nan 0.000 0.540 232 N N 4.313 123.140 118.700 0.212 0.000 2.892 232 N HA -0.011 4.725 4.740 -0.006 0.000 0.300 232 N C -0.513 175.047 175.510 0.083 0.000 1.211 232 N CA 0.036 53.119 53.050 0.054 0.000 1.158 232 N CB -0.524 37.958 38.487 -0.009 0.000 1.455 232 N HN 0.391 nan 8.380 nan 0.000 0.524 233 I N 0.553 121.206 120.570 0.138 0.000 2.872 233 I HA -0.078 4.089 4.170 -0.006 0.000 0.291 233 I C 0.855 177.020 176.117 0.080 0.000 1.216 233 I CA 0.228 61.595 61.300 0.113 0.000 1.424 233 I CB 0.473 38.557 38.000 0.141 0.000 1.351 233 I HN 0.312 nan 8.210 nan 0.000 0.592 234 S N 3.304 119.042 115.700 0.064 0.000 2.429 234 S HA 0.533 5.000 4.470 -0.006 0.000 0.302 234 S C 0.701 175.337 174.600 0.060 0.000 1.115 234 S CA 0.175 58.400 58.200 0.041 0.000 1.095 234 S CB 0.741 63.947 63.200 0.011 0.000 0.987 234 S HN 1.048 nan 8.310 nan 0.000 0.474 235 G N 2.845 111.678 108.800 0.055 0.000 2.168 235 G HA2 0.043 3.999 3.960 -0.006 0.000 0.257 235 G HA3 0.043 3.999 3.960 -0.006 0.000 0.257 235 G C 0.141 175.113 174.900 0.120 0.000 0.997 235 G CA 0.222 45.363 45.100 0.070 0.000 0.708 235 G HN 1.469 nan 8.290 nan 0.000 0.520 236 A N -1.702 121.199 122.820 0.134 0.000 2.601 236 A HA 0.912 5.229 4.320 -0.006 0.000 0.291 236 A C 0.356 177.967 177.584 0.045 0.000 1.075 236 A CA 0.401 52.545 52.037 0.178 0.000 0.671 236 A CB 0.367 19.500 19.000 0.222 0.000 1.277 236 A HN 1.890 nan 8.150 nan 0.000 0.417 237 G N -0.232 108.446 108.800 -0.203 0.000 2.365 237 G HA2 0.423 4.379 3.960 -0.006 0.000 0.249 237 G HA3 0.423 4.379 3.960 -0.006 0.000 0.249 237 G C 0.456 175.056 174.900 -0.500 0.000 1.288 237 G CA 0.391 44.987 45.100 -0.840 0.000 0.887 237 G HN 1.375 nan 8.290 nan 0.000 0.524 238 F N 1.229 120.806 119.950 -0.621 0.000 2.512 238 F HA 0.171 4.695 4.527 -0.006 0.000 0.296 238 F C 1.713 177.263 175.800 -0.418 0.000 1.110 238 F CA -0.204 57.575 58.000 -0.368 0.000 1.446 238 F CB -0.524 38.230 39.000 -0.410 0.000 1.092 238 F HN 0.343 nan 8.300 nan 0.000 0.554 239 F N 1.502 120.880 119.950 -0.952 0.000 2.236 239 F HA -0.134 4.390 4.527 -0.006 0.000 0.302 239 F C 1.722 177.338 175.800 -0.307 0.000 1.073 239 F CA 0.991 58.515 58.000 -0.793 0.000 1.336 239 F CB -0.997 37.536 39.000 -0.779 0.000 1.040 239 F HN 0.058 nan 8.300 nan 0.000 0.507 240 L N -0.142 120.924 121.223 -0.262 0.000 2.627 240 L HA 0.052 4.388 4.340 -0.006 0.000 0.232 240 L C 0.155 176.641 176.870 -0.641 0.000 1.150 240 L CA 0.286 54.869 54.840 -0.429 0.000 0.917 240 L CB -0.447 41.248 42.059 -0.606 0.000 1.104 240 L HN 0.260 nan 8.230 nan 0.000 0.445 241 H N -1.544 117.668 119.070 0.237 0.000 2.716 241 H HA 0.183 4.735 4.556 -0.006 0.000 0.230 241 H C -0.297 175.260 175.328 0.383 0.000 1.401 241 H CA -0.374 55.845 56.048 0.284 0.000 1.168 241 H CB 0.135 30.043 29.762 0.244 0.000 1.935 241 H HN 0.152 nan 8.280 nan 0.000 0.538 242 H N 2.058 121.326 119.070 0.331 0.000 3.004 242 H HA 0.024 4.576 4.556 -0.006 0.000 0.316 242 H C 1.258 176.537 175.328 -0.081 0.000 1.014 242 H CA 0.295 56.303 56.048 -0.066 0.000 1.454 242 H CB 1.408 31.156 29.762 -0.022 0.000 1.472 242 H HN 0.273 nan 8.280 nan 0.000 0.571 243 V N 2.137 121.727 119.914 -0.540 0.000 3.461 243 V HA 0.195 4.312 4.120 -0.006 0.000 0.267 243 V C 1.387 177.190 176.094 -0.485 0.000 1.186 243 V CA 0.846 62.863 62.300 -0.473 0.000 1.154 243 V CB 0.016 31.518 31.823 -0.535 0.000 0.802 243 V HN 1.009 nan 8.190 nan 0.000 0.474 244 G N 0.019 108.501 108.800 -0.530 0.000 2.163 244 G HA2 -0.163 3.793 3.960 -0.006 0.000 0.213 244 G HA3 -0.163 3.793 3.960 -0.006 0.000 0.213 244 G C -0.489 174.285 174.900 -0.209 0.000 0.991 244 G CA 0.090 44.983 45.100 -0.346 0.000 0.653 244 G HN 0.793 nan 8.290 nan 0.000 0.518 245 L N 1.047 122.128 121.223 -0.237 0.000 2.381 245 L HA 0.855 5.192 4.340 -0.006 0.000 0.274 245 L C -0.521 176.390 176.870 0.068 0.000 0.988 245 L CA -0.806 54.056 54.840 0.036 0.000 0.824 245 L CB 1.437 43.512 42.059 0.026 0.000 1.263 245 L HN 0.219 nan 8.230 nan 0.000 0.410 246 E N 5.658 126.040 120.200 0.303 0.000 2.266 246 E HA 0.623 4.970 4.350 -0.006 0.000 0.268 246 E C -1.521 175.423 176.600 0.573 0.000 0.879 246 E CA -0.790 55.867 56.400 0.427 0.000 0.762 246 E CB 2.615 32.565 29.700 0.416 0.000 1.199 246 E HN 0.484 nan 8.360 nan 0.000 0.422 247 L N 2.511 124.033 121.223 0.499 0.000 2.381 247 L HA 0.375 4.711 4.340 -0.006 0.000 0.274 247 L C -0.932 175.961 176.870 0.038 0.000 0.988 247 L CA -1.104 53.892 54.840 0.260 0.000 0.824 247 L CB 1.428 43.562 42.059 0.125 0.000 1.263 247 L HN 0.321 nan 8.230 nan 0.000 0.410 248 L N 4.921 125.853 121.223 -0.486 0.000 2.334 248 L HA 0.304 4.641 4.340 -0.006 0.000 0.286 248 L C -0.309 176.389 176.870 -0.286 0.000 1.108 248 L CA 0.083 54.431 54.840 -0.821 0.000 0.875 248 L CB 0.866 42.109 42.059 -1.361 0.000 1.246 248 L HN 0.295 nan 8.230 nan 0.000 0.439 249 V N 5.034 124.915 119.914 -0.054 0.000 2.406 249 V HA 0.261 4.377 4.120 -0.006 0.000 0.272 249 V C 0.378 176.480 176.094 0.014 0.000 1.043 249 V CA -0.648 61.676 62.300 0.040 0.000 0.915 249 V CB 1.106 33.022 31.823 0.156 0.000 0.988 249 V HN 0.731 nan 8.190 nan 0.000 0.466 250 N N 4.074 122.735 118.700 -0.065 0.000 2.469 250 N HA 0.161 4.898 4.740 -0.006 0.000 0.239 250 N C 0.187 175.535 175.510 -0.270 0.000 1.053 250 N CA -0.416 52.541 53.050 -0.156 0.000 0.937 250 N CB 0.325 38.748 38.487 -0.108 0.000 1.163 250 N HN 0.843 nan 8.380 nan 0.000 0.509 251 H N 0.925 119.650 119.070 -0.574 0.000 2.481 251 H HA 0.329 4.882 4.556 -0.006 0.000 0.273 251 H C 1.069 176.013 175.328 -0.642 0.000 1.145 251 H CA -0.611 54.631 56.048 -1.344 0.000 0.964 251 H CB 0.572 29.260 29.762 -1.789 0.000 1.722 251 H HN 0.383 nan 8.280 nan 0.000 0.573 252 K N 1.110 121.310 120.400 -0.335 0.000 2.062 252 K HA 0.152 4.468 4.320 -0.006 0.000 0.205 252 K C 0.918 177.617 176.600 0.165 0.000 1.051 252 K CA 0.592 56.820 56.287 -0.098 0.000 0.941 252 K CB -0.038 32.403 32.500 -0.098 0.000 0.719 252 K HN 0.432 nan 8.250 nan 0.000 0.440 253 A N 1.346 124.355 122.820 0.315 0.000 2.540 253 A HA 0.015 4.332 4.320 -0.006 0.000 0.239 253 A C 1.013 178.858 177.584 0.434 0.000 1.061 253 A CA 0.039 52.285 52.037 0.348 0.000 0.758 253 A CB 0.091 19.291 19.000 0.335 0.000 0.991 253 A HN 0.408 nan 8.150 nan 0.000 0.502 254 L N 0.575 121.943 121.223 0.242 0.000 2.275 254 L HA -0.064 4.273 4.340 -0.006 0.000 0.215 254 L C 0.649 177.571 176.870 0.086 0.000 1.119 254 L CA 0.856 55.815 54.840 0.199 0.000 0.790 254 L CB -0.167 41.961 42.059 0.115 0.000 0.919 254 L HN 0.728 nan 8.230 nan 0.000 0.443 255 D N -0.366 120.035 120.400 0.001 0.000 2.412 255 D HA 0.159 4.795 4.640 -0.006 0.000 0.224 255 D C -1.721 174.303 176.300 -0.459 0.000 1.093 255 D CA -2.423 51.483 54.000 -0.157 0.000 0.850 255 D CB 1.585 42.330 40.800 -0.092 0.000 1.046 255 D HN -0.205 nan 8.370 nan 0.000 0.507 256 P HA -0.196 nan 4.420 nan 0.000 0.217 256 P C 1.083 177.904 177.300 -0.797 0.000 1.148 256 P CA 1.483 63.600 63.100 -1.638 0.000 0.834 256 P CB 0.200 31.143 31.700 -1.261 0.000 0.783 257 A N 0.019 122.600 122.820 -0.399 0.000 1.917 257 A HA -0.251 4.065 4.320 -0.006 0.000 0.219 257 A C 2.190 179.715 177.584 -0.099 0.000 1.182 257 A CA 1.762 53.688 52.037 -0.184 0.000 0.633 257 A CB -1.145 17.783 19.000 -0.119 0.000 0.819 257 A HN 0.153 nan 8.150 nan 0.000 0.448 258 R N -1.913 118.533 120.500 -0.090 0.000 2.316 258 R HA -0.055 4.282 4.340 -0.006 0.000 0.202 258 R C -0.383 176.036 176.300 0.197 0.000 1.029 258 R CA -0.077 56.048 56.100 0.042 0.000 1.018 258 R CB -0.016 30.317 30.300 0.055 0.000 0.888 258 R HN 0.590 nan 8.270 nan 0.000 0.471 259 W N 1.848 123.164 121.300 0.026 0.000 2.210 259 W HA 0.058 4.715 4.660 -0.006 0.000 0.330 259 W C 0.983 177.513 176.519 0.018 0.000 1.334 259 W CA -0.401 56.965 57.345 0.035 0.000 1.227 259 W CB 0.083 29.578 29.460 0.057 0.000 1.178 259 W HN -0.030 nan 8.180 nan 0.000 0.560 260 T N 0.050 114.738 114.554 0.223 0.000 2.864 260 T HA 0.764 5.110 4.350 -0.006 0.000 0.289 260 T C -0.741 173.992 174.700 0.055 0.000 1.082 260 T CA -0.963 61.203 62.100 0.110 0.000 1.009 260 T CB 1.738 70.647 68.868 0.067 0.000 1.234 260 T HN 0.215 nan 8.240 nan 0.000 0.526 261 I N 2.179 122.763 120.570 0.023 0.000 2.359 261 I HA 0.234 4.400 4.170 -0.006 0.000 0.284 261 I C 1.302 177.403 176.117 -0.028 0.000 1.018 261 I CA -0.640 60.653 61.300 -0.013 0.000 1.173 261 I CB 1.693 39.688 38.000 -0.007 0.000 1.326 261 I HN 0.785 nan 8.210 nan 0.000 0.462 262 Q N 3.900 123.656 119.800 -0.075 0.000 2.172 262 Q HA 0.064 4.401 4.340 -0.006 0.000 0.200 262 Q C 0.183 176.162 176.000 -0.035 0.000 0.964 262 Q CA 0.955 56.717 55.803 -0.068 0.000 0.855 262 Q CB 0.438 29.108 28.738 -0.112 0.000 0.918 262 Q HN 0.421 nan 8.270 nan 0.000 0.444 263 K N -0.449 119.914 120.400 -0.060 0.000 2.579 263 K HA 0.488 4.804 4.320 -0.006 0.000 0.284 263 K C -1.600 175.105 176.600 0.175 0.000 0.990 263 K CA -0.576 55.771 56.287 0.099 0.000 0.880 263 K CB 2.593 35.221 32.500 0.213 0.000 1.488 263 K HN -0.224 nan 8.250 nan 0.000 0.425 264 V N 1.687 121.834 119.914 0.388 0.000 2.760 264 V HA 0.514 4.630 4.120 -0.006 0.000 0.309 264 V C -1.223 175.231 176.094 0.599 0.000 1.077 264 V CA -0.921 61.638 62.300 0.432 0.000 0.910 264 V CB 1.925 33.909 31.823 0.268 0.000 1.008 264 V HN 0.689 nan 8.190 nan 0.000 0.424 265 F N 4.848 125.034 119.950 0.393 0.000 2.482 265 F HA 0.745 5.269 4.527 -0.006 0.000 0.331 265 F C -1.308 174.600 175.800 0.180 0.000 1.115 265 F CA -0.689 57.383 58.000 0.121 0.000 0.955 265 F CB 1.542 40.432 39.000 -0.183 0.000 1.136 265 F HN 0.524 nan 8.300 nan 0.000 0.452 266 Y N 5.229 125.239 120.300 -0.483 0.000 2.354 266 Y HA 0.256 4.803 4.550 -0.006 0.000 0.330 266 Y C -0.137 175.420 175.900 -0.572 0.000 1.011 266 Y CA -1.020 56.864 58.100 -0.361 0.000 1.099 266 Y CB 1.321 39.647 38.460 -0.224 0.000 1.179 266 Y HN 0.748 nan 8.280 nan 0.000 0.442 267 Q N 4.666 123.839 119.800 -1.045 0.000 2.395 267 Q HA -0.285 4.052 4.340 -0.006 0.000 0.326 267 Q C 1.034 176.559 176.000 -0.792 0.000 1.302 267 Q CA 1.490 56.795 55.803 -0.831 0.000 0.949 267 Q CB -1.387 26.686 28.738 -1.108 0.000 1.204 267 Q HN 1.315 nan 8.270 nan 0.000 0.444 268 G N -0.828 107.219 108.800 -1.255 0.000 2.213 268 G HA2 -0.256 3.700 3.960 -0.006 0.000 0.226 268 G HA3 -0.256 3.700 3.960 -0.006 0.000 0.226 268 G C 0.052 174.339 174.900 -1.022 0.000 0.992 268 G CA 0.104 44.290 45.100 -1.524 0.000 0.632 268 G HN 0.305 nan 8.290 nan 0.000 0.511 269 R N -0.847 118.986 120.500 -1.112 0.000 2.854 269 R HA 0.629 4.965 4.340 -0.006 0.000 0.271 269 R C -1.236 174.565 176.300 -0.833 0.000 0.994 269 R CA -0.823 54.851 56.100 -0.709 0.000 0.945 269 R CB 1.349 31.372 30.300 -0.462 0.000 1.194 269 R HN 0.119 nan 8.270 nan 0.000 0.476 270 Y N 0.758 120.766 120.300 -0.486 0.000 2.342 270 Y HA 0.372 4.918 4.550 -0.006 0.000 0.334 270 Y C -0.429 175.140 175.900 -0.550 0.000 1.067 270 Y CA -0.178 57.795 58.100 -0.212 0.000 1.128 270 Y CB 1.180 39.666 38.460 0.044 0.000 1.200 270 Y HN 0.391 nan 8.280 nan 0.000 0.464 271 Y N 0.295 120.744 120.300 0.248 0.000 2.576 271 Y HA 0.247 4.794 4.550 -0.006 0.000 0.346 271 Y C 0.619 176.610 175.900 0.151 0.000 1.018 271 Y CA -1.114 57.074 58.100 0.147 0.000 1.050 271 Y CB 1.397 39.898 38.460 0.067 0.000 1.280 271 Y HN 0.560 nan 8.280 nan 0.000 0.474 272 D N 0.271 120.819 120.400 0.246 0.000 2.194 272 D HA -0.018 4.619 4.640 -0.006 0.000 0.204 272 D C 0.197 176.570 176.300 0.121 0.000 0.964 272 D CA 1.251 55.342 54.000 0.151 0.000 0.846 272 D CB 0.399 41.258 40.800 0.098 0.000 0.962 272 D HN 0.492 nan 8.370 nan 0.000 0.490 273 S N -1.662 114.110 115.700 0.120 0.000 2.656 273 S HA 0.316 4.782 4.470 -0.006 0.000 0.273 273 S C 0.699 175.310 174.600 0.018 0.000 1.168 273 S CA -0.758 57.478 58.200 0.060 0.000 0.817 273 S CB 1.084 64.303 63.200 0.032 0.000 1.146 273 S HN -0.083 nan 8.310 nan 0.000 0.475 274 L N 1.170 122.375 121.223 -0.030 0.000 2.083 274 L HA 0.009 4.346 4.340 -0.006 0.000 0.209 274 L C 3.079 179.893 176.870 -0.093 0.000 1.083 274 L CA 1.795 56.578 54.840 -0.096 0.000 0.752 274 L CB -1.081 40.912 42.059 -0.110 0.000 0.899 274 L HN 0.956 nan 8.230 nan 0.000 0.433 275 A N -0.487 122.305 122.820 -0.048 0.000 1.881 275 A HA -0.350 3.966 4.320 -0.006 0.000 0.219 275 A C 2.307 179.867 177.584 -0.040 0.000 1.215 275 A CA 2.147 54.164 52.037 -0.034 0.000 0.648 275 A CB -0.719 nan 19.000 nan 0.000 0.832 275 A HN 0.406 nan 8.150 nan 0.000 0.455 276 Q N -1.105 118.686 119.800 -0.014 0.000 2.045 276 Q HA -0.191 4.145 4.340 -0.006 0.000 0.206 276 Q C 2.164 178.111 176.000 -0.089 0.000 0.991 276 Q CA 1.823 57.636 55.803 0.017 0.000 0.851 276 Q CB -0.821 27.994 28.738 0.129 0.000 0.911 276 Q HN 0.593 nan 8.270 nan 0.000 0.418 277 L N 1.114 122.182 121.223 -0.260 0.000 1.971 277 L HA -0.232 4.104 4.340 -0.006 0.000 0.215 277 L C 2.339 179.010 176.870 -0.332 0.000 1.072 277 L CA 2.554 57.034 54.840 -0.601 0.000 0.758 277 L CB -0.909 40.728 42.059 -0.704 0.000 0.889 277 L HN 0.248 nan 8.230 nan 0.000 0.433 278 E N -0.453 119.618 120.200 -0.215 0.000 2.038 278 E HA -0.229 4.117 4.350 -0.006 0.000 0.195 278 E C 2.099 178.689 176.600 -0.017 0.000 1.000 278 E CA 1.691 58.045 56.400 -0.077 0.000 0.803 278 E CB -0.469 29.191 29.700 -0.068 0.000 0.750 278 E HN 0.552 nan 8.360 nan 0.000 0.448 279 A N 0.343 123.140 122.820 -0.037 0.000 1.958 279 A HA -0.314 4.002 4.320 -0.006 0.000 0.221 279 A C 2.170 179.742 177.584 -0.020 0.000 1.178 279 A CA 2.085 54.109 52.037 -0.023 0.000 0.642 279 A CB -0.635 18.358 19.000 -0.011 0.000 0.816 279 A HN 0.434 nan 8.150 nan 0.000 0.453 280 Q N -2.394 117.396 119.800 -0.017 0.000 2.163 280 Q HA -0.037 4.299 4.340 -0.006 0.000 0.198 280 Q C 1.922 177.936 176.000 0.023 0.000 0.954 280 Q CA 1.007 56.820 55.803 0.016 0.000 0.851 280 Q CB -0.217 28.567 28.738 0.078 0.000 0.928 280 Q HN 0.735 nan 8.270 nan 0.000 0.459 281 F N 2.584 122.441 119.950 -0.155 0.000 2.065 281 F HA -0.220 4.303 4.527 -0.006 0.000 0.298 281 F C 1.719 177.451 175.800 -0.114 0.000 1.112 281 F CA 1.809 59.720 58.000 -0.148 0.000 1.212 281 F CB -0.143 38.732 39.000 -0.208 0.000 0.975 281 F HN 0.017 nan 8.300 nan 0.000 0.476 282 E N -0.099 119.908 120.200 -0.322 0.000 2.268 282 E HA -0.083 4.263 4.350 -0.006 0.000 0.195 282 E C 2.061 178.501 176.600 -0.266 0.000 0.995 282 E CA 0.693 56.853 56.400 -0.399 0.000 0.836 282 E CB -0.340 29.251 29.700 -0.181 0.000 0.763 282 E HN 0.494 nan 8.360 nan 0.000 0.491 283 A N 0.584 123.304 122.820 -0.167 0.000 2.208 283 A HA 0.248 4.564 4.320 -0.006 0.000 0.209 283 A C 1.661 179.180 177.584 -0.108 0.000 1.161 283 A CA 0.728 52.702 52.037 -0.106 0.000 0.782 283 A CB -0.142 18.830 19.000 -0.047 0.000 0.816 283 A HN 0.296 nan 8.150 nan 0.000 0.477 284 G N -1.863 106.843 108.800 -0.156 0.000 2.165 284 G HA2 -0.171 3.785 3.960 -0.006 0.000 0.226 284 G HA3 -0.171 3.785 3.960 -0.006 0.000 0.226 284 G C 0.364 175.240 174.900 -0.040 0.000 1.035 284 G CA 0.432 45.456 45.100 -0.126 0.000 0.744 284 G HN 0.857 nan 8.290 nan 0.000 0.501 285 L N -0.573 120.651 121.223 0.002 0.000 2.781 285 L HA 0.532 4.869 4.340 -0.006 0.000 0.245 285 L C 0.904 177.837 176.870 0.105 0.000 1.118 285 L CA 0.319 55.191 54.840 0.054 0.000 0.918 285 L CB 1.113 43.212 42.059 0.067 0.000 1.246 285 L HN 0.094 nan 8.230 nan 0.000 0.526 286 V N 1.931 121.930 119.914 0.141 0.000 2.333 286 V HA 0.221 4.337 4.120 -0.006 0.000 0.274 286 V C 0.036 176.267 176.094 0.229 0.000 1.028 286 V CA -0.479 61.941 62.300 0.199 0.000 0.851 286 V CB 0.900 32.840 31.823 0.195 0.000 1.000 286 V HN 0.291 nan 8.190 nan 0.000 0.456 287 N N 5.397 124.203 118.700 0.177 0.000 2.602 287 N HA 0.162 4.898 4.740 -0.006 0.000 0.238 287 N C -0.181 175.431 175.510 0.170 0.000 1.084 287 N CA -0.503 52.651 53.050 0.174 0.000 0.952 287 N CB 1.169 39.729 38.487 0.122 0.000 1.244 287 N HN 0.423 nan 8.380 nan 0.000 0.512 288 V N 3.023 123.073 119.914 0.225 0.000 2.790 288 V HA -0.122 3.994 4.120 -0.006 0.000 0.304 288 V C 0.360 176.493 176.094 0.064 0.000 1.142 288 V CA 0.481 62.875 62.300 0.158 0.000 1.282 288 V CB 0.822 32.773 31.823 0.213 0.000 0.877 288 V HN 0.324 nan 8.190 nan 0.000 0.504 289 V N 6.663 126.545 119.914 -0.054 0.000 2.350 289 V HA 0.291 4.408 4.120 -0.006 0.000 0.285 289 V C 0.059 176.084 176.094 -0.115 0.000 1.014 289 V CA -0.496 61.770 62.300 -0.056 0.000 0.831 289 V CB 1.569 33.393 31.823 0.001 0.000 1.000 289 V HN 0.713 nan 8.190 nan 0.000 0.433 290 L N 6.436 127.623 121.223 -0.060 0.000 2.500 290 L HA 0.366 4.702 4.340 -0.006 0.000 0.272 290 L C -0.576 176.347 176.870 0.087 0.000 1.149 290 L CA 0.164 54.984 54.840 -0.033 0.000 0.897 290 L CB 0.678 42.708 42.059 -0.049 0.000 1.178 290 L HN 0.531 nan 8.230 nan 0.000 0.473 291 I N 8.052 128.720 120.570 0.164 0.000 2.315 291 I HA 0.299 4.465 4.170 -0.006 0.000 0.291 291 I C -1.910 174.567 176.117 0.599 0.000 1.006 291 I CA -1.816 59.714 61.300 0.384 0.000 1.265 291 I CB 1.166 39.367 38.000 0.334 0.000 1.387 291 I HN 0.515 nan 8.210 nan 0.000 0.475 292 P HA 0.022 nan 4.420 nan 0.000 0.271 292 P C -0.052 177.423 177.300 0.292 0.000 1.233 292 P CA -0.021 63.335 63.100 0.427 0.000 0.789 292 P CB 0.728 32.629 31.700 0.335 0.000 0.951 293 D N -0.408 119.845 120.400 -0.245 0.000 2.367 293 D HA 0.060 4.696 4.640 -0.006 0.000 0.207 293 D C -0.106 175.862 176.300 -0.554 0.000 1.034 293 D CA 0.639 54.156 54.000 -0.805 0.000 0.861 293 D CB 0.023 40.002 40.800 -1.368 0.000 0.943 293 D HN 0.258 nan 8.370 nan 0.000 0.515 294 N N -1.496 116.737 118.700 -0.779 0.000 3.171 294 N HA 0.520 5.257 4.740 -0.006 0.000 0.239 294 N C -0.664 173.794 175.510 -1.754 0.000 1.275 294 N CA 0.092 52.440 53.050 -1.170 0.000 0.920 294 N CB 1.179 39.278 38.487 -0.648 0.000 1.554 294 N HN 0.028 nan 8.380 nan 0.000 0.504 295 G N -0.513 107.204 108.800 -1.805 0.000 2.356 295 G HA2 0.506 4.462 3.960 -0.006 0.000 0.281 295 G HA3 0.506 4.462 3.960 -0.006 0.000 0.281 295 G C -1.734 172.700 174.900 -0.776 0.000 1.246 295 G CA 0.100 44.349 45.100 -1.419 0.000 0.889 295 G HN 1.096 nan 8.290 nan 0.000 0.486 296 T N -2.963 111.406 114.554 -0.308 0.000 2.868 296 T HA 0.927 5.274 4.350 -0.006 0.000 0.306 296 T C 0.376 175.242 174.700 0.276 0.000 1.224 296 T CA 0.384 62.520 62.100 0.060 0.000 1.012 296 T CB 1.567 70.435 68.868 -0.001 0.000 1.221 296 T HN 2.775 nan 8.240 nan 0.000 0.499 297 G N 0.027 108.972 108.800 0.242 0.000 2.466 297 G HA2 0.308 4.265 3.960 -0.006 0.000 0.316 297 G HA3 0.308 4.265 3.960 -0.006 0.000 0.316 297 G C 0.676 175.715 174.900 0.232 0.000 1.270 297 G CA -0.038 45.193 45.100 0.218 0.000 0.982 297 G HN 1.576 nan 8.290 nan 0.000 0.506 298 G N -0.554 108.344 108.800 0.163 0.000 2.448 298 G HA2 0.163 4.119 3.960 -0.006 0.000 0.218 298 G HA3 0.163 4.119 3.960 -0.006 0.000 0.218 298 G C 2.013 176.989 174.900 0.127 0.000 1.135 298 G CA 2.083 47.259 45.100 0.126 0.000 0.784 298 G HN 1.309 nan 8.290 nan 0.000 0.543 299 S N -0.197 115.561 115.700 0.097 0.000 2.400 299 S HA -0.116 4.351 4.470 -0.006 0.000 0.232 299 S C 1.663 176.147 174.600 -0.193 0.000 1.025 299 S CA 1.257 59.391 58.200 -0.111 0.000 0.993 299 S CB -0.267 62.814 63.200 -0.198 0.000 0.808 299 S HN 0.732 nan 8.310 nan 0.000 0.478 300 W N 0.287 121.732 121.300 0.243 0.000 2.940 300 W HA 0.499 5.155 4.660 -0.006 0.000 0.297 300 W C 0.882 177.503 176.519 0.170 0.000 1.149 300 W CA -0.273 57.200 57.345 0.213 0.000 1.564 300 W CB 0.276 29.800 29.460 0.106 0.000 1.010 300 W HN 0.004 nan 8.180 nan 0.000 0.578 301 S N -0.270 115.625 115.700 0.326 0.000 2.618 301 S HA 0.507 4.973 4.470 -0.006 0.000 0.277 301 S C -0.175 174.538 174.600 0.190 0.000 1.138 301 S CA -0.572 57.770 58.200 0.238 0.000 0.844 301 S CB 1.033 64.347 63.200 0.191 0.000 1.127 301 S HN 0.011 nan 8.310 nan 0.000 0.474 302 L N 1.243 122.560 121.223 0.156 0.000 2.701 302 L HA 0.412 4.748 4.340 -0.006 0.000 0.238 302 L C 0.764 177.674 176.870 0.067 0.000 1.106 302 L CA 0.061 54.962 54.840 0.100 0.000 0.898 302 L CB 0.166 42.288 42.059 0.106 0.000 1.188 302 L HN 0.526 nan 8.230 nan 0.000 0.508 303 K N 1.377 121.820 120.400 0.072 0.000 2.379 303 K HA 0.091 4.407 4.320 -0.006 0.000 0.284 303 K C 0.244 176.869 176.600 0.041 0.000 1.044 303 K CA -0.002 56.313 56.287 0.047 0.000 0.974 303 K CB 0.976 33.502 32.500 0.044 0.000 0.962 303 K HN -0.112 nan 8.250 nan 0.000 0.474 304 S N 4.229 119.943 115.700 0.024 0.000 2.565 304 S HA 0.209 4.675 4.470 -0.006 0.000 0.276 304 S C -1.300 173.312 174.600 0.019 0.000 1.326 304 S CA -1.372 56.840 58.200 0.020 0.000 1.045 304 S CB 0.719 63.923 63.200 0.007 0.000 0.918 304 S HN 0.640 nan 8.310 nan 0.000 0.505 305 P HA 0.165 nan 4.420 nan 0.000 0.249 305 P C -0.553 176.753 177.300 0.009 0.000 1.229 305 P CA 0.131 63.241 63.100 0.016 0.000 0.788 305 P CB 0.027 31.739 31.700 0.021 0.000 1.072 306 V N 3.630 123.547 119.914 0.005 0.000 2.417 306 V HA 0.321 4.437 4.120 -0.006 0.000 0.291 306 V C -1.966 174.126 176.094 -0.004 0.000 1.024 306 V CA -1.762 60.538 62.300 0.001 0.000 0.861 306 V CB 1.723 33.546 31.823 0.000 0.000 0.985 306 V HN 0.059 nan 8.190 nan 0.000 0.436 307 P HA 0.371 nan 4.420 nan 0.000 0.274 307 P C -2.674 174.618 177.300 -0.013 0.000 1.231 307 P CA -1.447 61.647 63.100 -0.010 0.000 0.790 307 P CB -0.215 31.480 31.700 -0.009 0.000 0.951 308 P HA 0.116 nan 4.420 nan 0.000 0.261 308 P C 0.597 177.885 177.300 -0.019 0.000 1.173 308 P CA 0.474 63.561 63.100 -0.022 0.000 0.760 308 P CB 0.070 31.753 31.700 -0.028 0.000 0.783 309 G N 3.542 112.331 108.800 -0.018 0.000 2.641 309 G HA2 0.514 4.470 3.960 -0.006 0.000 0.239 309 G HA3 0.514 4.470 3.960 -0.006 0.000 0.239 309 G C -2.221 172.667 174.900 -0.019 0.000 1.402 309 G CA -0.840 44.250 45.100 -0.017 0.000 1.046 309 G HN 0.418 nan 8.290 nan 0.000 0.565 310 P HA 0.360 nan 4.420 nan 0.000 0.269 310 P C -0.037 177.250 177.300 -0.022 0.000 1.209 310 P CA -0.106 62.982 63.100 -0.020 0.000 0.776 310 P CB 0.634 32.324 31.700 -0.017 0.000 0.876 311 A N 4.984 127.788 122.820 -0.027 0.000 2.531 311 A HA 0.294 4.610 4.320 -0.006 0.000 0.236 311 A C -1.260 176.312 177.584 -0.020 0.000 1.062 311 A CA -0.678 51.342 52.037 -0.029 0.000 0.760 311 A CB -1.323 17.652 19.000 -0.040 0.000 0.995 311 A HN 0.521 nan 8.150 nan 0.000 0.501 312 P HA 0.395 nan 4.420 nan 0.000 0.275 312 P C -2.575 174.725 177.300 -0.000 0.000 1.266 312 P CA -1.159 61.936 63.100 -0.007 0.000 0.793 312 P CB -0.799 30.898 31.700 -0.006 0.000 1.074 313 P HA 0.194 nan 4.420 nan 0.000 0.267 313 P C -0.748 176.574 177.300 0.037 0.000 1.200 313 P CA 0.086 63.200 63.100 0.023 0.000 0.772 313 P CB 0.138 31.854 31.700 0.026 0.000 0.855 314 L N 1.817 123.074 121.223 0.057 0.000 2.401 314 L HA 0.448 4.784 4.340 -0.006 0.000 0.266 314 L C -0.862 176.107 176.870 0.165 0.000 0.991 314 L CA -0.544 54.346 54.840 0.084 0.000 0.818 314 L CB 2.047 44.125 42.059 0.031 0.000 1.321 314 L HN 0.323 nan 8.230 nan 0.000 0.413 315 Q N 3.343 123.261 119.800 0.197 0.000 2.309 315 Q HA 0.734 5.070 4.340 -0.006 0.000 0.264 315 Q C -1.669 174.565 176.000 0.390 0.000 1.008 315 Q CA -0.656 55.284 55.803 0.228 0.000 0.853 315 Q CB 2.122 30.927 28.738 0.113 0.000 1.314 315 Q HN 0.642 nan 8.270 nan 0.000 0.448 316 F N -0.678 119.326 119.950 0.090 0.000 2.711 316 F HA 0.487 5.011 4.527 -0.006 0.000 0.313 316 F C -1.988 173.925 175.800 0.188 0.000 1.141 316 F CA -1.174 56.962 58.000 0.228 0.000 0.941 316 F CB 1.164 40.271 39.000 0.178 0.000 1.349 316 F HN 0.405 nan 8.300 nan 0.000 0.464 317 Y N 1.161 121.493 120.300 0.052 0.000 2.717 317 Y HA 0.361 4.908 4.550 -0.006 0.000 0.329 317 Y C -2.031 173.849 175.900 -0.034 0.000 1.017 317 Y CA -2.008 56.064 58.100 -0.048 0.000 1.275 317 Y CB 0.881 39.388 38.460 0.079 0.000 1.109 317 Y HN 0.383 nan 8.280 nan 0.000 0.511 318 P HA -0.128 nan 4.420 nan 0.000 0.228 318 P C -0.031 177.332 177.300 0.105 0.000 1.151 318 P CA 1.393 64.512 63.100 0.032 0.000 0.770 318 P CB 0.290 31.920 31.700 -0.117 0.000 0.786 319 Q N -0.654 119.202 119.800 0.094 0.000 2.144 319 Q HA 0.444 4.780 4.340 -0.006 0.000 0.305 319 Q C 0.216 176.273 176.000 0.094 0.000 0.876 319 Q CA -0.256 55.598 55.803 0.085 0.000 1.130 319 Q CB 0.978 29.751 28.738 0.058 0.000 1.267 319 Q HN 0.106 nan 8.270 nan 0.000 0.433 320 G N 2.517 111.390 108.800 0.121 0.000 2.730 320 G HA2 -0.161 3.796 3.960 -0.006 0.000 0.686 320 G HA3 -0.161 3.796 3.960 -0.006 0.000 0.686 320 G C -2.936 172.036 174.900 0.119 0.000 1.343 320 G CA -1.095 44.053 45.100 0.079 0.000 0.826 320 G HN 0.111 nan 8.290 nan 0.000 0.582 321 P HA 0.385 nan 4.420 nan 0.000 0.274 321 P C 0.039 177.388 177.300 0.082 0.000 1.246 321 P CA -0.358 62.702 63.100 -0.066 0.000 0.795 321 P CB 0.670 32.041 31.700 -0.549 0.000 1.006 322 R N 0.852 121.533 120.500 0.303 0.000 2.613 322 R HA 0.342 4.678 4.340 -0.006 0.000 0.361 322 R C -0.125 176.370 176.300 0.325 0.000 1.072 322 R CA -0.121 56.135 56.100 0.260 0.000 1.089 322 R CB -0.271 30.191 30.300 0.270 0.000 1.343 322 R HN 0.529 nan 8.270 nan 0.000 0.571 323 F N -1.467 118.514 119.950 0.052 0.000 2.662 323 F HA 0.682 5.205 4.527 -0.006 0.000 0.312 323 F C -0.803 174.981 175.800 -0.027 0.000 1.113 323 F CA -1.310 56.696 58.000 0.010 0.000 0.951 323 F CB 1.328 40.337 39.000 0.014 0.000 1.344 323 F HN -0.152 nan 8.300 nan 0.000 0.462 324 S N 0.721 116.404 115.700 -0.029 0.000 2.548 324 S HA 0.854 5.320 4.470 -0.006 0.000 0.286 324 S C -1.658 172.938 174.600 -0.006 0.000 1.098 324 S CA -0.735 57.386 58.200 -0.131 0.000 0.930 324 S CB 1.743 64.895 63.200 -0.081 0.000 1.070 324 S HN 0.848 nan 8.310 nan 0.000 0.480 325 V N 2.321 122.218 119.914 -0.028 0.000 2.350 325 V HA 0.501 4.618 4.120 -0.006 0.000 0.285 325 V C -0.439 175.669 176.094 0.022 0.000 1.014 325 V CA -0.409 61.912 62.300 0.035 0.000 0.831 325 V CB 1.033 32.910 31.823 0.089 0.000 1.000 325 V HN 0.980 nan 8.190 nan 0.000 0.433 326 Q N 3.190 123.000 119.800 0.017 0.000 2.413 326 Q HA 0.549 4.886 4.340 -0.006 0.000 0.258 326 Q C 0.843 176.848 176.000 0.009 0.000 1.037 326 Q CA 0.598 56.406 55.803 0.008 0.000 0.764 326 Q CB 1.323 30.057 28.738 -0.007 0.000 1.217 326 Q HN 1.106 nan 8.270 nan 0.000 0.490 327 G N 1.893 110.703 108.800 0.016 0.000 2.543 327 G HA2 -0.402 3.554 3.960 -0.006 0.000 0.286 327 G HA3 -0.402 3.554 3.960 -0.006 0.000 0.286 327 G C 0.620 175.465 174.900 -0.091 0.000 1.153 327 G CA 0.478 45.564 45.100 -0.022 0.000 0.968 327 G HN 0.892 nan 8.290 nan 0.000 0.544 328 S N 0.094 115.677 115.700 -0.195 0.000 2.575 328 S HA 0.430 4.897 4.470 -0.006 0.000 0.215 328 S C 0.972 175.429 174.600 -0.237 0.000 0.966 328 S CA 1.203 59.100 58.200 -0.505 0.000 0.911 328 S CB 0.316 63.280 63.200 -0.394 0.000 0.780 328 S HN 0.784 nan 8.310 nan 0.000 0.514 329 R N 1.190 121.668 120.500 -0.037 0.000 2.338 329 R HA 0.643 4.979 4.340 -0.006 0.000 0.317 329 R C -1.395 174.860 176.300 -0.073 0.000 0.968 329 R CA -0.381 55.697 56.100 -0.036 0.000 0.849 329 R CB 1.462 31.744 30.300 -0.030 0.000 1.128 329 R HN 0.161 nan 8.270 nan 0.000 0.448 330 V N 3.105 122.816 119.914 -0.339 0.000 2.547 330 V HA 0.854 4.971 4.120 -0.006 0.000 0.299 330 V C -0.368 175.499 176.094 -0.377 0.000 1.040 330 V CA -0.649 61.376 62.300 -0.458 0.000 0.913 330 V CB 1.676 32.941 31.823 -0.929 0.000 0.992 330 V HN 0.926 nan 8.190 nan 0.000 0.449 331 A N 3.211 125.942 122.820 -0.148 0.000 2.422 331 A HA 0.944 5.261 4.320 -0.006 0.000 0.302 331 A C -0.340 177.272 177.584 0.046 0.000 1.041 331 A CA -0.104 51.901 52.037 -0.053 0.000 0.708 331 A CB 2.042 21.023 19.000 -0.031 0.000 1.257 331 A HN 1.158 nan 8.150 nan 0.000 0.414 332 S N 0.208 115.950 115.700 0.071 0.000 2.794 332 S HA 0.614 5.080 4.470 -0.006 0.000 0.299 332 S C 1.076 175.706 174.600 0.050 0.000 1.179 332 S CA 0.372 58.641 58.200 0.116 0.000 0.838 332 S CB 0.921 64.229 63.200 0.180 0.000 1.206 332 S HN 1.473 nan 8.310 nan 0.000 0.523 333 S N -0.352 115.375 115.700 0.046 0.000 2.381 333 S HA -0.118 4.348 4.470 -0.006 0.000 0.230 333 S C 1.443 175.965 174.600 -0.131 0.000 1.052 333 S CA 2.086 60.273 58.200 -0.022 0.000 1.068 333 S CB -0.892 62.312 63.200 0.006 0.000 0.918 333 S HN 0.580 nan 8.310 nan 0.000 0.448 334 L N -2.362 118.759 121.223 -0.170 0.000 2.467 334 L HA 0.350 4.686 4.340 -0.006 0.000 0.213 334 L C 0.221 176.720 176.870 -0.617 0.000 1.053 334 L CA -0.224 54.286 54.840 -0.549 0.000 0.847 334 L CB 0.068 41.770 42.059 -0.596 0.000 1.075 334 L HN 0.302 nan 8.230 nan 0.000 0.479 335 W N -0.629 120.634 121.300 -0.062 0.000 2.639 335 W HA 0.535 5.192 4.660 -0.006 0.000 0.347 335 W C -0.252 176.265 176.519 -0.004 0.000 1.067 335 W CA -0.431 56.927 57.345 0.022 0.000 1.218 335 W CB 1.906 31.373 29.460 0.012 0.000 1.393 335 W HN -0.413 nan 8.180 nan 0.000 0.557 336 T N 3.246 118.035 114.554 0.393 0.000 3.109 336 T HA 0.560 4.906 4.350 -0.006 0.000 0.311 336 T C -1.488 173.396 174.700 0.307 0.000 1.011 336 T CA -0.519 61.687 62.100 0.177 0.000 1.026 336 T CB 0.304 69.243 68.868 0.119 0.000 1.047 336 T HN 0.279 nan 8.240 nan 0.000 0.448 337 F N 0.095 120.065 119.950 0.033 0.000 2.719 337 F HA 0.809 5.332 4.527 -0.006 0.000 0.309 337 F C -0.678 175.179 175.800 0.095 0.000 1.138 337 F CA -1.153 56.874 58.000 0.047 0.000 0.943 337 F CB 1.054 40.046 39.000 -0.014 0.000 1.304 337 F HN 0.365 nan 8.300 nan 0.000 0.445 338 S N 1.606 117.476 115.700 0.282 0.000 2.489 338 S HA 0.813 5.279 4.470 -0.006 0.000 0.291 338 S C -0.920 173.920 174.600 0.400 0.000 1.151 338 S CA -0.524 57.818 58.200 0.237 0.000 1.082 338 S CB 0.474 63.800 63.200 0.210 0.000 1.019 338 S HN 0.773 nan 8.310 nan 0.000 0.492 339 F N 1.810 121.847 119.950 0.144 0.000 2.654 339 F HA 1.023 5.546 4.527 -0.006 0.000 0.334 339 F C 0.229 176.040 175.800 0.019 0.000 1.078 339 F CA -0.391 57.674 58.000 0.107 0.000 0.986 339 F CB 1.110 40.140 39.000 0.051 0.000 1.362 339 F HN 0.840 nan 8.300 nan 0.000 0.498 340 G N 0.254 109.100 108.800 0.077 0.000 2.320 340 G HA2 0.458 4.414 3.960 -0.006 0.000 0.296 340 G HA3 0.458 4.414 3.960 -0.006 0.000 0.296 340 G C -2.698 172.374 174.900 0.287 0.000 1.306 340 G CA -1.037 44.122 45.100 0.098 0.000 0.836 340 G HN 0.874 nan 8.290 nan 0.000 0.517 341 L N 0.648 122.017 121.223 0.244 0.000 2.438 341 L HA 0.620 4.957 4.340 -0.006 0.000 0.270 341 L C 0.794 177.723 176.870 0.099 0.000 0.972 341 L CA -0.811 54.018 54.840 -0.018 0.000 0.831 341 L CB 2.155 43.813 42.059 -0.669 0.000 1.273 341 L HN 0.908 nan 8.230 nan 0.000 0.405 342 G N 1.310 110.133 108.800 0.038 0.000 2.406 342 G HA2 0.367 4.323 3.960 -0.006 0.000 0.251 342 G HA3 0.367 4.323 3.960 -0.006 0.000 0.251 342 G C 0.913 175.798 174.900 -0.026 0.000 1.271 342 G CA 0.315 45.457 45.100 0.069 0.000 0.859 342 G HN 0.880 nan 8.290 nan 0.000 0.540 343 A N 2.237 125.028 122.820 -0.049 0.000 1.908 343 A HA -0.013 4.303 4.320 -0.006 0.000 0.218 343 A C 1.780 179.087 177.584 -0.462 0.000 1.181 343 A CA 1.625 53.483 52.037 -0.297 0.000 0.627 343 A CB -0.299 18.274 19.000 -0.712 0.000 0.818 343 A HN 0.600 nan 8.150 nan 0.000 0.445 344 F N -0.504 119.510 119.950 0.107 0.000 2.453 344 F HA 0.060 4.584 4.527 -0.006 0.000 0.284 344 F C 2.828 178.628 175.800 -0.001 0.000 1.065 344 F CA 0.891 58.940 58.000 0.082 0.000 1.411 344 F CB -0.690 38.361 39.000 0.086 0.000 1.131 344 F HN 0.259 nan 8.300 nan 0.000 0.582 345 S N -0.370 115.401 115.700 0.118 0.000 2.406 345 S HA 0.366 4.832 4.470 -0.006 0.000 0.228 345 S C 1.425 175.904 174.600 -0.202 0.000 1.020 345 S CA 0.693 58.876 58.200 -0.029 0.000 0.965 345 S CB -0.684 62.523 63.200 0.010 0.000 0.798 345 S HN 0.694 nan 8.310 nan 0.000 0.488 346 G N 1.047 109.727 108.800 -0.200 0.000 2.545 346 G HA2 -0.086 3.871 3.960 -0.006 0.000 0.216 346 G HA3 -0.086 3.871 3.960 -0.006 0.000 0.216 346 G C -3.184 171.527 174.900 -0.315 0.000 1.314 346 G CA -0.617 44.271 45.100 -0.353 0.000 0.906 346 G HN 0.462 nan 8.290 nan 0.000 0.563 347 P HA 0.405 nan 4.420 nan 0.000 0.267 347 P C -0.043 177.179 177.300 -0.130 0.000 1.200 347 P CA 0.451 63.442 63.100 -0.181 0.000 0.772 347 P CB 0.452 32.045 31.700 -0.179 0.000 0.855 348 R N 1.469 121.955 120.500 -0.023 0.000 2.692 348 R HA 0.779 5.115 4.340 -0.006 0.000 0.269 348 R C -1.616 174.634 176.300 -0.083 0.000 1.030 348 R CA -0.937 55.093 56.100 -0.116 0.000 0.882 348 R CB 1.058 31.300 30.300 -0.097 0.000 1.250 348 R HN 0.238 nan 8.270 nan 0.000 0.465 349 I N 1.258 121.627 120.570 -0.334 0.000 2.730 349 I HA 0.570 4.736 4.170 -0.006 0.000 0.298 349 I C -1.272 174.477 176.117 -0.612 0.000 1.089 349 I CA -0.815 60.360 61.300 -0.209 0.000 1.041 349 I CB 2.208 40.114 38.000 -0.156 0.000 1.235 349 I HN 0.495 nan 8.210 nan 0.000 0.423 350 F N 1.640 121.476 119.950 -0.189 0.000 2.613 350 F HA 0.333 4.857 4.527 -0.006 0.000 0.314 350 F C 0.099 175.714 175.800 -0.309 0.000 1.075 350 F CA -0.802 56.888 58.000 -0.516 0.000 0.945 350 F CB 1.398 39.640 39.000 -1.262 0.000 1.310 350 F HN 0.491 nan 8.300 nan 0.000 0.467 351 D N 1.093 121.403 120.400 -0.150 0.000 2.689 351 D HA -0.149 4.487 4.640 -0.006 0.000 0.237 351 D C -1.016 175.383 176.300 0.165 0.000 1.148 351 D CA 0.297 54.321 54.000 0.039 0.000 0.656 351 D CB -0.623 40.244 40.800 0.111 0.000 1.050 351 D HN 0.194 nan 8.370 nan 0.000 0.426 352 V N 1.733 121.750 119.914 0.173 0.000 2.470 352 V HA 0.295 4.411 4.120 -0.006 0.000 0.276 352 V C 1.137 177.438 176.094 0.344 0.000 1.040 352 V CA 0.359 62.844 62.300 0.308 0.000 1.008 352 V CB 1.182 33.162 31.823 0.261 0.000 0.990 352 V HN 0.174 nan 8.190 nan 0.000 0.477 353 R N 4.102 124.849 120.500 0.413 0.000 2.476 353 R HA 0.426 4.763 4.340 -0.006 0.000 0.305 353 R C -1.241 175.224 176.300 0.275 0.000 0.965 353 R CA -0.568 55.719 56.100 0.311 0.000 0.867 353 R CB 2.076 32.497 30.300 0.202 0.000 1.176 353 R HN 0.622 nan 8.270 nan 0.000 0.447 354 F N 2.860 122.818 119.950 0.014 0.000 2.411 354 F HA 0.099 4.622 4.527 -0.006 0.000 0.350 354 F C 0.600 176.344 175.800 -0.094 0.000 1.114 354 F CA 0.077 57.887 58.000 -0.317 0.000 1.135 354 F CB 0.945 39.741 39.000 -0.341 0.000 1.120 354 F HN 0.592 nan 8.300 nan 0.000 0.495 355 Q N 4.705 124.063 119.800 -0.737 0.000 2.406 355 Q HA -0.251 4.085 4.340 -0.006 0.000 0.339 355 Q C 1.126 177.056 176.000 -0.117 0.000 1.337 355 Q CA 0.999 56.543 55.803 -0.432 0.000 0.985 355 Q CB -1.400 27.078 28.738 -0.432 0.000 1.216 355 Q HN 1.280 nan 8.270 nan 0.000 0.415 356 G N -0.362 108.402 108.800 -0.059 0.000 2.225 356 G HA2 -0.364 3.592 3.960 -0.006 0.000 0.254 356 G HA3 -0.364 3.592 3.960 -0.006 0.000 0.254 356 G C -0.085 174.868 174.900 0.090 0.000 0.988 356 G CA 0.383 45.495 45.100 0.019 0.000 0.625 356 G HN 0.511 nan 8.290 nan 0.000 0.527 357 E N 0.217 120.508 120.200 0.152 0.000 2.179 357 E HA 0.591 4.938 4.350 -0.006 0.000 0.275 357 E C 0.377 177.121 176.600 0.240 0.000 0.945 357 E CA -1.085 55.440 56.400 0.209 0.000 0.792 357 E CB 0.766 30.636 29.700 0.283 0.000 1.125 357 E HN 0.323 nan 8.360 nan 0.000 0.397 358 R N 4.472 125.098 120.500 0.211 0.000 2.401 358 R HA 0.127 4.463 4.340 -0.006 0.000 0.299 358 R C 0.397 176.796 176.300 0.164 0.000 1.064 358 R CA 0.130 56.347 56.100 0.196 0.000 1.000 358 R CB 0.425 30.837 30.300 0.186 0.000 0.973 358 R HN 0.708 nan 8.270 nan 0.000 0.438 359 L N 3.841 125.123 121.223 0.097 0.000 2.349 359 L HA 0.217 4.553 4.340 -0.006 0.000 0.200 359 L C -0.117 176.699 176.870 -0.089 0.000 1.064 359 L CA 0.197 54.970 54.840 -0.113 0.000 0.821 359 L CB 0.472 42.366 42.059 -0.275 0.000 1.027 359 L HN 0.349 nan 8.230 nan 0.000 0.476 360 V N -1.866 118.044 119.914 -0.006 0.000 2.656 360 V HA 0.149 4.265 4.120 -0.006 0.000 0.307 360 V C 0.227 176.357 176.094 0.059 0.000 1.051 360 V CA -0.735 61.559 62.300 -0.010 0.000 0.893 360 V CB 1.755 33.529 31.823 -0.081 0.000 0.999 360 V HN 0.098 nan 8.190 nan 0.000 0.426 361 Y N 2.639 122.924 120.300 -0.025 0.000 2.243 361 Y HA 0.185 4.731 4.550 -0.006 0.000 0.293 361 Y C 0.996 176.854 175.900 -0.070 0.000 1.124 361 Y CA 1.781 59.888 58.100 0.012 0.000 1.159 361 Y CB 0.541 39.033 38.460 0.054 0.000 1.008 361 Y HN 0.732 nan 8.280 nan 0.000 0.527 362 E N 0.240 120.355 120.200 -0.142 0.000 2.321 362 E HA 0.397 4.743 4.350 -0.006 0.000 0.281 362 E C -1.905 174.464 176.600 -0.384 0.000 0.910 362 E CA -0.574 55.536 56.400 -0.482 0.000 0.770 362 E CB 1.379 30.910 29.700 -0.282 0.000 1.225 362 E HN 0.192 nan 8.360 nan 0.000 0.417 363 I N 3.445 123.724 120.570 -0.484 0.000 2.439 363 I HA 0.315 4.481 4.170 -0.006 0.000 0.285 363 I C -0.792 175.132 176.117 -0.322 0.000 1.021 363 I CA -0.565 60.545 61.300 -0.317 0.000 1.091 363 I CB 1.875 39.724 38.000 -0.251 0.000 1.242 363 I HN 0.487 nan 8.210 nan 0.000 0.439 364 S N 6.137 121.706 115.700 -0.217 0.000 2.547 364 S HA 0.609 5.075 4.470 -0.006 0.000 0.281 364 S C -0.852 173.664 174.600 -0.141 0.000 1.118 364 S CA -0.850 57.236 58.200 -0.189 0.000 0.947 364 S CB 2.095 65.177 63.200 -0.196 0.000 1.053 364 S HN 0.470 nan 8.310 nan 0.000 0.482 365 L N 2.378 123.456 121.223 -0.241 0.000 2.485 365 L HA 0.345 4.681 4.340 -0.006 0.000 0.275 365 L C 0.999 177.586 176.870 -0.472 0.000 1.207 365 L CA 0.927 55.416 54.840 -0.584 0.000 0.855 365 L CB 0.192 41.725 42.059 -0.877 0.000 1.114 365 L HN 0.883 nan 8.230 nan 0.000 0.485 366 Q N 1.882 121.341 119.800 -0.568 0.000 2.532 366 Q HA 0.267 4.604 4.340 -0.006 0.000 0.247 366 Q C -0.232 175.543 176.000 -0.374 0.000 0.872 366 Q CA 0.305 55.899 55.803 -0.348 0.000 0.963 366 Q CB 0.942 29.527 28.738 -0.254 0.000 1.159 366 Q HN 0.739 nan 8.270 nan 0.000 0.598 367 E N -1.079 118.779 120.200 -0.571 0.000 2.401 367 E HA 0.654 5.001 4.350 -0.006 0.000 0.280 367 E C -2.044 174.285 176.600 -0.452 0.000 1.039 367 E CA -0.363 55.787 56.400 -0.418 0.000 0.814 367 E CB 1.702 31.197 29.700 -0.342 0.000 1.275 367 E HN 0.093 nan 8.360 nan 0.000 0.448 368 A N 1.738 124.453 122.820 -0.175 0.000 2.435 368 A HA 0.871 5.187 4.320 -0.006 0.000 0.304 368 A C -1.852 175.793 177.584 0.101 0.000 1.064 368 A CA -0.603 51.368 52.037 -0.111 0.000 0.727 368 A CB 1.289 20.129 19.000 -0.266 0.000 1.284 368 A HN 0.504 nan 8.150 nan 0.000 0.415 369 L N 0.987 122.285 121.223 0.125 0.000 2.464 369 L HA 0.826 5.163 4.340 -0.006 0.000 0.266 369 L C -0.555 176.305 176.870 -0.017 0.000 0.965 369 L CA -0.027 54.834 54.840 0.035 0.000 0.833 369 L CB 1.907 43.917 42.059 -0.081 0.000 1.296 369 L HN 1.259 nan 8.230 nan 0.000 0.405 370 A N 6.264 129.067 122.820 -0.029 0.000 2.357 370 A HA 0.788 5.105 4.320 -0.006 0.000 0.295 370 A C -1.129 176.371 177.584 -0.140 0.000 1.121 370 A CA -0.314 51.657 52.037 -0.111 0.000 0.742 370 A CB 0.559 19.578 19.000 0.031 0.000 1.181 370 A HN 0.615 nan 8.150 nan 0.000 0.454 371 I N 2.422 122.830 120.570 -0.269 0.000 2.377 371 I HA 0.417 4.583 4.170 -0.006 0.000 0.293 371 I C -0.926 175.062 176.117 -0.215 0.000 0.987 371 I CA -0.511 60.667 61.300 -0.202 0.000 1.185 371 I CB 1.396 39.264 38.000 -0.220 0.000 1.341 371 I HN 0.664 nan 8.210 nan 0.000 0.455 372 Y N 3.126 123.362 120.300 -0.106 0.000 2.567 372 Y HA 0.751 5.298 4.550 -0.006 0.000 0.333 372 Y C 0.653 176.515 175.900 -0.062 0.000 1.106 372 Y CA -0.513 57.547 58.100 -0.066 0.000 1.157 372 Y CB 2.277 40.664 38.460 -0.122 0.000 1.277 372 Y HN 0.533 nan 8.280 nan 0.000 0.490 373 G N -0.612 108.273 108.800 0.141 0.000 2.574 373 G HA2 0.657 4.613 3.960 -0.006 0.000 0.299 373 G HA3 0.657 4.613 3.960 -0.006 0.000 0.299 373 G C -1.091 173.828 174.900 0.033 0.000 1.298 373 G CA -0.548 44.600 45.100 0.081 0.000 0.952 373 G HN 0.914 nan 8.290 nan 0.000 0.477 374 G N -1.113 107.581 108.800 -0.178 0.000 2.523 374 G HA2 0.284 4.240 3.960 -0.006 0.000 0.291 374 G HA3 0.284 4.240 3.960 -0.006 0.000 0.291 374 G C 0.044 174.463 174.900 -0.802 0.000 1.450 374 G CA -0.544 44.346 45.100 -0.351 0.000 0.790 374 G HN 0.556 nan 8.290 nan 0.000 0.496 375 N N -1.188 117.131 118.700 -0.636 0.000 2.457 375 N HA 0.026 4.763 4.740 -0.006 0.000 0.180 375 N C 0.988 176.298 175.510 -0.333 0.000 1.050 375 N CA 0.904 53.590 53.050 -0.608 0.000 0.906 375 N CB 0.131 38.220 38.487 -0.662 0.000 0.968 375 N HN 0.580 nan 8.380 nan 0.000 0.445 376 S N -0.754 114.692 115.700 -0.424 0.000 2.689 376 S HA 0.434 4.900 4.470 -0.006 0.000 0.306 376 S C -2.256 171.883 174.600 -0.769 0.000 1.104 376 S CA -1.356 56.420 58.200 -0.706 0.000 0.973 376 S CB 1.901 64.782 63.200 -0.531 0.000 1.121 376 S HN -0.189 nan 8.310 nan 0.000 0.523 377 P HA 0.082 nan 4.420 nan 0.000 0.217 377 P C 1.517 178.286 177.300 -0.885 0.000 1.151 377 P CA 1.622 64.093 63.100 -1.048 0.000 0.828 377 P CB -0.233 30.358 31.700 -1.849 0.000 0.788 378 A N 0.586 122.959 122.820 -0.745 0.000 1.841 378 A HA -0.151 4.165 4.320 -0.006 0.000 0.216 378 A C 2.383 179.766 177.584 -0.335 0.000 1.199 378 A CA 2.508 54.319 52.037 -0.376 0.000 0.621 378 A CB -1.729 17.171 19.000 -0.168 0.000 0.835 378 A HN 0.171 nan 8.150 nan 0.000 0.445 379 A N 0.328 122.940 122.820 -0.346 0.000 1.873 379 A HA -0.237 4.080 4.320 -0.006 0.000 0.218 379 A C 2.346 179.804 177.584 -0.211 0.000 1.193 379 A CA 2.613 54.474 52.037 -0.293 0.000 0.629 379 A CB -0.778 18.067 19.000 -0.257 0.000 0.826 379 A HN 0.957 nan 8.150 nan 0.000 0.447 380 M N -0.388 119.053 119.600 -0.266 0.000 2.630 380 M HA -0.006 4.470 4.480 -0.006 0.000 0.254 380 M C 1.151 177.376 176.300 -0.125 0.000 1.092 380 M CA 1.959 57.141 55.300 -0.196 0.000 1.087 380 M CB -0.461 31.982 32.600 -0.262 0.000 1.453 380 M HN 0.396 nan 8.290 nan 0.000 0.509 381 T N -3.709 110.762 114.554 -0.139 0.000 3.043 381 T HA 0.220 4.567 4.350 -0.006 0.000 0.272 381 T C 0.354 175.010 174.700 -0.073 0.000 0.990 381 T CA -0.303 61.761 62.100 -0.060 0.000 0.897 381 T CB -0.205 68.659 68.868 -0.006 0.000 1.111 381 T HN 0.219 nan 8.240 nan 0.000 0.529 382 T N 3.612 118.077 114.554 -0.149 0.000 2.834 382 T HA 0.485 4.832 4.350 -0.006 0.000 0.298 382 T C -0.265 174.312 174.700 -0.205 0.000 0.966 382 T CA -0.139 61.793 62.100 -0.280 0.000 1.141 382 T CB 0.420 68.992 68.868 -0.494 0.000 0.905 382 T HN 0.211 nan 8.240 nan 0.000 0.535 383 R N 2.569 122.912 120.500 -0.262 0.000 2.545 383 R HA 0.280 4.616 4.340 -0.006 0.000 0.289 383 R C -1.496 174.694 176.300 -0.183 0.000 1.327 383 R CA -0.535 55.441 56.100 -0.207 0.000 1.040 383 R CB 0.509 30.716 30.300 -0.155 0.000 1.176 383 R HN 0.539 nan 8.270 nan 0.000 0.518 384 Y N 1.415 121.714 120.300 -0.002 0.000 2.393 384 Y HA 0.179 4.725 4.550 -0.006 0.000 0.338 384 Y C 0.697 176.599 175.900 0.005 0.000 1.029 384 Y CA -0.623 57.502 58.100 0.041 0.000 1.239 384 Y CB 1.076 39.546 38.460 0.018 0.000 1.170 384 Y HN 0.185 nan 8.280 nan 0.000 0.515 385 V N 4.806 124.870 119.914 0.250 0.000 2.184 385 V HA 0.048 4.165 4.120 -0.006 0.000 0.262 385 V C 0.727 176.985 176.094 0.274 0.000 1.209 385 V CA -0.565 61.855 62.300 0.200 0.000 1.070 385 V CB 0.356 32.298 31.823 0.198 0.000 1.244 385 V HN 0.828 nan 8.190 nan 0.000 0.477 386 D N 3.937 124.474 120.400 0.229 0.000 2.228 386 D HA -0.169 4.467 4.640 -0.006 0.000 0.203 386 D C 2.145 178.602 176.300 0.261 0.000 0.988 386 D CA 1.762 55.889 54.000 0.212 0.000 0.864 386 D CB 0.197 41.069 40.800 0.119 0.000 0.928 386 D HN 0.663 nan 8.370 nan 0.000 0.469 387 G N 0.686 109.600 108.800 0.191 0.000 2.462 387 G HA2 -0.222 3.735 3.960 -0.006 0.000 0.220 387 G HA3 -0.222 3.735 3.960 -0.006 0.000 0.220 387 G C 1.674 176.708 174.900 0.224 0.000 1.121 387 G CA 0.988 46.204 45.100 0.193 0.000 0.758 387 G HN 0.387 nan 8.290 nan 0.000 0.559 388 G N -0.349 108.570 108.800 0.199 0.000 2.498 388 G HA2 0.001 3.957 3.960 -0.006 0.000 0.219 388 G HA3 0.001 3.957 3.960 -0.006 0.000 0.219 388 G C 1.351 176.302 174.900 0.085 0.000 1.119 388 G CA 0.569 45.713 45.100 0.074 0.000 0.766 388 G HN 0.402 nan 8.290 nan 0.000 0.552 389 F N 0.208 120.281 119.950 0.205 0.000 2.298 389 F HA 0.435 4.958 4.527 -0.006 0.000 0.282 389 F C 1.505 177.587 175.800 0.470 0.000 1.045 389 F CA 0.914 59.077 58.000 0.272 0.000 1.280 389 F CB 0.154 39.113 39.000 -0.069 0.000 1.114 389 F HN 0.253 nan 8.300 nan 0.000 0.546 390 G N 0.040 109.175 108.800 0.558 0.000 2.952 390 G HA2 -0.009 3.948 3.960 -0.006 0.000 0.431 390 G HA3 -0.009 3.948 3.960 -0.006 0.000 0.431 390 G C -0.130 174.953 174.900 0.307 0.000 1.325 390 G CA -0.655 44.750 45.100 0.508 0.000 1.146 390 G HN 0.002 nan 8.290 nan 0.000 0.581 391 M N 1.958 121.644 119.600 0.143 0.000 2.175 391 M HA 0.132 4.608 4.480 -0.006 0.000 0.264 391 M C 2.525 178.801 176.300 -0.040 0.000 1.063 391 M CA 2.775 58.114 55.300 0.065 0.000 1.119 391 M CB -0.266 32.274 32.600 -0.099 0.000 1.377 391 M HN 0.782 nan 8.290 nan 0.000 0.415 392 G N -0.720 107.977 108.800 -0.172 0.000 2.394 392 G HA2 -0.206 3.750 3.960 -0.006 0.000 0.214 392 G HA3 -0.206 3.750 3.960 -0.006 0.000 0.214 392 G C 1.563 176.283 174.900 -0.300 0.000 1.176 392 G CA 0.726 45.549 45.100 -0.461 0.000 0.786 392 G HN 0.433 nan 8.290 nan 0.000 0.533 393 K N -0.620 119.753 120.400 -0.045 0.000 2.160 393 K HA -0.143 4.174 4.320 -0.006 0.000 0.206 393 K C 0.960 177.483 176.600 -0.128 0.000 1.047 393 K CA 1.094 57.350 56.287 -0.052 0.000 0.930 393 K CB -0.227 32.316 32.500 0.071 0.000 0.720 393 K HN 0.429 nan 8.250 nan 0.000 0.450 394 Y N 0.738 121.011 120.300 -0.046 0.000 2.708 394 Y HA 0.177 4.723 4.550 -0.006 0.000 0.287 394 Y C -0.141 175.732 175.900 -0.046 0.000 1.145 394 Y CA -0.286 57.806 58.100 -0.013 0.000 1.249 394 Y CB 0.452 38.948 38.460 0.060 0.000 1.152 394 Y HN -0.175 nan 8.280 nan 0.000 0.532 395 T N 1.354 115.881 114.554 -0.045 0.000 2.888 395 T HA 0.204 4.550 4.350 -0.006 0.000 0.301 395 T C 0.679 175.341 174.700 -0.063 0.000 1.001 395 T CA 0.050 62.089 62.100 -0.101 0.000 1.147 395 T CB 0.480 69.149 68.868 -0.331 0.000 0.931 395 T HN 0.344 nan 8.240 nan 0.000 0.541 396 T N 1.969 116.505 114.554 -0.030 0.000 2.944 396 T HA 0.597 4.943 4.350 -0.006 0.000 0.284 396 T C -2.885 171.779 174.700 -0.060 0.000 1.010 396 T CA -2.450 59.630 62.100 -0.034 0.000 1.025 396 T CB 1.116 69.985 68.868 0.001 0.000 1.079 396 T HN 0.151 nan 8.240 nan 0.000 0.516 397 P HA 0.326 nan 4.420 nan 0.000 0.275 397 P C -0.744 176.528 177.300 -0.047 0.000 1.228 397 P CA -0.523 62.504 63.100 -0.121 0.000 0.786 397 P CB 0.327 31.844 31.700 -0.304 0.000 0.927 398 L N 2.343 123.568 121.223 0.004 0.000 2.265 398 L HA 0.239 4.575 4.340 -0.006 0.000 0.288 398 L C 0.586 177.473 176.870 0.030 0.000 1.058 398 L CA -0.247 54.644 54.840 0.085 0.000 0.809 398 L CB 0.297 42.501 42.059 0.242 0.000 1.179 398 L HN 0.268 nan 8.230 nan 0.000 0.429 399 T N 3.977 118.582 114.554 0.084 0.000 2.751 399 T HA 0.151 4.497 4.350 -0.006 0.000 0.290 399 T C 0.515 175.252 174.700 0.062 0.000 0.919 399 T CA -0.365 61.805 62.100 0.116 0.000 1.136 399 T CB -0.147 68.812 68.868 0.151 0.000 0.875 399 T HN 0.423 nan 8.240 nan 0.000 0.532 400 R N 2.373 122.815 120.500 -0.096 0.000 2.480 400 R HA 0.288 4.624 4.340 -0.006 0.000 0.303 400 R C 1.576 177.911 176.300 0.059 0.000 0.985 400 R CA 0.889 56.882 56.100 -0.178 0.000 1.051 400 R CB -0.123 29.830 30.300 -0.577 0.000 0.935 400 R HN 1.008 nan 8.270 nan 0.000 0.410 401 G N 1.258 110.131 108.800 0.121 0.000 2.176 401 G HA2 -0.275 3.681 3.960 -0.006 0.000 0.253 401 G HA3 -0.275 3.681 3.960 -0.006 0.000 0.253 401 G C 0.478 175.432 174.900 0.090 0.000 0.979 401 G CA 0.232 45.436 45.100 0.173 0.000 0.641 401 G HN 0.464 nan 8.290 nan 0.000 0.530 402 V N -0.189 119.765 119.914 0.065 0.000 2.950 402 V HA 0.163 4.279 4.120 -0.006 0.000 0.231 402 V C 2.164 178.261 176.094 0.005 0.000 1.205 402 V CA 1.630 63.943 62.300 0.023 0.000 1.239 402 V CB -0.138 31.696 31.823 0.019 0.000 1.050 402 V HN 0.161 nan 8.190 nan 0.000 0.498 403 D N -0.168 120.252 120.400 0.034 0.000 2.162 403 D HA 0.015 4.652 4.640 -0.006 0.000 0.203 403 D C 0.600 176.904 176.300 0.007 0.000 0.967 403 D CA 1.057 55.073 54.000 0.027 0.000 0.840 403 D CB 0.090 40.932 40.800 0.071 0.000 0.972 403 D HN 0.428 nan 8.370 nan 0.000 0.482 404 c N -0.510 118.096 118.600 0.010 0.000 3.213 404 c HA 0.481 5.048 4.570 -0.006 0.000 0.319 404 c C -2.462 171.507 174.090 -0.202 0.000 1.386 404 c CA -1.760 54.439 56.329 -0.217 0.000 1.494 404 c CB 1.621 43.966 42.510 -0.276 0.000 1.905 404 c HN 0.016 nan 8.230 nan 0.000 0.456 405 P HA 0.061 nan 4.420 nan 0.000 0.268 405 P C 0.169 177.524 177.300 0.092 0.000 1.205 405 P CA 0.249 63.252 63.100 -0.162 0.000 0.771 405 P CB 0.244 31.794 31.700 -0.249 0.000 0.858 406 Y N 2.724 123.086 120.300 0.103 0.000 2.096 406 Y HA -0.226 4.320 4.550 -0.006 0.000 0.278 406 Y C 1.635 177.688 175.900 0.255 0.000 1.192 406 Y CA 1.683 59.897 58.100 0.190 0.000 1.143 406 Y CB -0.329 38.215 38.460 0.142 0.000 0.963 406 Y HN 0.231 nan 8.280 nan 0.000 0.505 407 L N 0.354 121.845 121.223 0.447 0.000 2.645 407 L HA 0.166 4.502 4.340 -0.006 0.000 0.235 407 L C 1.133 178.166 176.870 0.272 0.000 1.150 407 L CA -0.225 54.844 54.840 0.382 0.000 0.911 407 L CB -0.794 41.511 42.059 0.411 0.000 1.077 407 L HN 0.203 nan 8.230 nan 0.000 0.438 408 A N -0.325 122.596 122.820 0.168 0.000 2.429 408 A HA 0.204 4.520 4.320 -0.006 0.000 0.242 408 A C 0.411 177.959 177.584 -0.059 0.000 1.088 408 A CA 0.158 52.185 52.037 -0.017 0.000 0.784 408 A CB 0.079 18.797 19.000 -0.471 0.000 1.038 408 A HN 0.159 nan 8.150 nan 0.000 0.501 409 T N 1.755 116.302 114.554 -0.011 0.000 2.728 409 T HA 0.461 4.808 4.350 -0.006 0.000 0.296 409 T C -0.867 173.775 174.700 -0.097 0.000 0.940 409 T CA 0.588 62.704 62.100 0.027 0.000 1.013 409 T CB -0.368 68.571 68.868 0.119 0.000 0.912 409 T HN 0.363 nan 8.240 nan 0.000 0.484 410 Y N 1.795 122.156 120.300 0.100 0.000 2.352 410 Y HA 0.618 5.164 4.550 -0.006 0.000 0.326 410 Y C 0.274 176.260 175.900 0.143 0.000 1.166 410 Y CA -0.885 57.281 58.100 0.110 0.000 1.182 410 Y CB 1.226 39.709 38.460 0.038 0.000 1.216 410 Y HN 0.249 nan 8.280 nan 0.000 0.474 411 V N 2.386 122.517 119.914 0.362 0.000 2.808 411 V HA 0.263 4.379 4.120 -0.006 0.000 0.308 411 V C -0.986 175.361 176.094 0.421 0.000 1.099 411 V CA -1.160 61.365 62.300 0.374 0.000 0.920 411 V CB 2.089 34.181 31.823 0.448 0.000 1.014 411 V HN 0.662 nan 8.190 nan 0.000 0.425 412 D N 1.578 122.159 120.400 0.303 0.000 2.283 412 D HA 0.350 4.987 4.640 -0.006 0.000 0.248 412 D C -0.896 175.562 176.300 0.264 0.000 1.072 412 D CA -0.035 54.106 54.000 0.235 0.000 0.929 412 D CB 1.641 42.547 40.800 0.177 0.000 1.182 412 D HN 0.539 nan 8.370 nan 0.000 0.433 413 W N 2.297 123.602 121.300 0.008 0.000 2.529 413 W HA 0.254 4.910 4.660 -0.006 0.000 0.321 413 W C -0.756 175.784 176.519 0.035 0.000 1.047 413 W CA -0.457 56.882 57.345 -0.011 0.000 1.216 413 W CB 0.710 30.156 29.460 -0.022 0.000 1.357 413 W HN 0.263 nan 8.180 nan 0.000 0.489 414 H N 6.412 125.306 119.070 -0.292 0.000 2.472 414 H HA 0.565 5.117 4.556 -0.006 0.000 0.338 414 H C -0.474 174.401 175.328 -0.755 0.000 1.133 414 H CA -0.697 55.117 56.048 -0.391 0.000 1.216 414 H CB 1.030 30.642 29.762 -0.249 0.000 1.497 414 H HN 0.435 nan 8.280 nan 0.000 0.500 415 F N 0.658 120.215 119.950 -0.655 0.000 2.711 415 F HA 0.540 5.064 4.527 -0.006 0.000 0.313 415 F C -1.799 173.780 175.800 -0.368 0.000 1.141 415 F CA -1.310 56.266 58.000 -0.707 0.000 0.941 415 F CB 1.521 39.890 39.000 -1.052 0.000 1.349 415 F HN 0.268 nan 8.300 nan 0.000 0.464 416 L N 3.304 124.375 121.223 -0.253 0.000 2.492 416 L HA 0.610 4.946 4.340 -0.006 0.000 0.259 416 L C -2.115 174.697 176.870 -0.096 0.000 1.229 416 L CA -0.609 54.081 54.840 -0.249 0.000 0.903 416 L CB 1.018 42.961 42.059 -0.194 0.000 1.114 416 L HN 0.720 nan 8.230 nan 0.000 0.494 417 L N 3.384 124.604 121.223 -0.006 0.000 2.409 417 L HA 0.517 4.853 4.340 -0.006 0.000 0.272 417 L C 0.410 177.235 176.870 -0.074 0.000 0.980 417 L CA -0.710 54.094 54.840 -0.060 0.000 0.826 417 L CB 2.010 44.074 42.059 0.009 0.000 1.268 417 L HN 0.464 nan 8.230 nan 0.000 0.407 418 E N 1.165 121.264 120.200 -0.169 0.000 2.440 418 E HA -0.235 4.111 4.350 -0.006 0.000 0.246 418 E C -0.262 176.347 176.600 0.016 0.000 1.165 418 E CA 0.924 57.307 56.400 -0.028 0.000 0.726 418 E CB -0.711 29.038 29.700 0.083 0.000 1.271 418 E HN 0.731 nan 8.360 nan 0.000 0.397 419 S N -2.229 113.454 115.700 -0.028 0.000 2.703 419 S HA 0.393 4.860 4.470 -0.006 0.000 0.273 419 S C 0.254 174.827 174.600 -0.046 0.000 1.178 419 S CA -0.938 57.246 58.200 -0.028 0.000 0.838 419 S CB 1.894 65.056 63.200 -0.064 0.000 1.178 419 S HN -0.017 nan 8.310 nan 0.000 0.494 420 Q N -0.239 119.534 119.800 -0.045 0.000 2.423 420 Q HA 0.429 4.765 4.340 -0.006 0.000 0.231 420 Q C 0.634 176.591 176.000 -0.072 0.000 0.894 420 Q CA 0.872 56.649 55.803 -0.043 0.000 0.938 420 Q CB 0.931 29.658 28.738 -0.019 0.000 1.079 420 Q HN 0.865 nan 8.270 nan 0.000 0.552 421 A N 2.955 125.716 122.820 -0.097 0.000 2.324 421 A HA 0.587 4.904 4.320 -0.006 0.000 0.330 421 A C -2.389 175.066 177.584 -0.214 0.000 1.165 421 A CA -1.518 50.441 52.037 -0.131 0.000 0.813 421 A CB 0.535 19.466 19.000 -0.114 0.000 1.197 421 A HN -0.118 nan 8.150 nan 0.000 0.484 422 P HA 0.269 nan 4.420 nan 0.000 0.271 422 P C -0.708 176.314 177.300 -0.463 0.000 1.218 422 P CA 0.146 63.016 63.100 -0.384 0.000 0.780 422 P CB 0.822 32.334 31.700 -0.314 0.000 0.901 423 K N 0.384 120.320 120.400 -0.772 0.000 2.279 423 K HA 0.698 5.015 4.320 -0.006 0.000 0.238 423 K C -0.374 175.908 176.600 -0.530 0.000 1.084 423 K CA -0.712 55.179 56.287 -0.660 0.000 0.885 423 K CB 1.314 33.391 32.500 -0.705 0.000 1.319 423 K HN 0.283 nan 8.250 nan 0.000 0.494 424 T N 1.190 115.668 114.554 -0.125 0.000 2.916 424 T HA 0.410 4.757 4.350 -0.006 0.000 0.298 424 T C -0.953 173.929 174.700 0.303 0.000 1.031 424 T CA -0.682 61.524 62.100 0.176 0.000 0.993 424 T CB 0.797 69.768 68.868 0.172 0.000 1.045 424 T HN 0.261 nan 8.240 nan 0.000 0.454 425 I N 3.518 124.317 120.570 0.382 0.000 2.297 425 I HA 0.337 4.503 4.170 -0.006 0.000 0.291 425 I C 0.801 177.013 176.117 0.158 0.000 1.033 425 I CA -0.529 60.915 61.300 0.240 0.000 1.253 425 I CB 0.682 38.821 38.000 0.232 0.000 1.396 425 I HN 0.432 nan 8.210 nan 0.000 0.476 426 R N 5.599 126.136 120.500 0.062 0.000 2.438 426 R HA 0.115 4.452 4.340 -0.006 0.000 0.287 426 R C -0.335 175.958 176.300 -0.011 0.000 1.077 426 R CA -0.355 55.760 56.100 0.026 0.000 1.034 426 R CB 0.473 30.748 30.300 -0.043 0.000 0.993 426 R HN 0.534 nan 8.270 nan 0.000 0.459 427 D N 1.296 121.733 120.400 0.062 0.000 2.699 427 D HA -0.205 4.431 4.640 -0.006 0.000 0.239 427 D C 0.755 177.111 176.300 0.095 0.000 1.136 427 D CA 1.145 55.216 54.000 0.118 0.000 0.668 427 D CB -1.149 39.640 40.800 -0.018 0.000 1.060 427 D HN 0.744 nan 8.370 nan 0.000 0.429 428 A N -0.907 121.943 122.820 0.051 0.000 1.898 428 A HA 0.104 4.420 4.320 -0.006 0.000 0.216 428 A C 0.816 178.221 177.584 -0.298 0.000 1.181 428 A CA 0.903 52.822 52.037 -0.197 0.000 0.620 428 A CB 0.026 18.808 19.000 -0.363 0.000 0.819 428 A HN 0.246 nan 8.150 nan 0.000 0.442 429 F N -1.350 118.693 119.950 0.156 0.000 2.470 429 F HA 0.535 5.058 4.527 -0.006 0.000 0.329 429 F C 0.440 176.291 175.800 0.085 0.000 1.072 429 F CA -0.984 57.087 58.000 0.119 0.000 0.989 429 F CB 1.372 40.460 39.000 0.146 0.000 1.193 429 F HN 0.307 nan 8.300 nan 0.000 0.481 430 c N 0.461 119.183 118.600 0.205 0.000 2.712 430 c HA 0.971 5.537 4.570 -0.006 0.000 0.308 430 c C -1.138 172.981 174.090 0.049 0.000 1.201 430 c CA -0.980 55.332 56.329 -0.029 0.000 1.554 430 c CB 0.933 43.286 42.510 -0.262 0.000 2.117 430 c HN 0.671 nan 8.230 nan 0.000 0.480 431 V N 3.385 123.320 119.914 0.034 0.000 2.686 431 V HA 0.880 4.996 4.120 -0.006 0.000 0.306 431 V C -0.498 175.687 176.094 0.151 0.000 1.065 431 V CA -0.133 62.159 62.300 -0.013 0.000 0.894 431 V CB 1.372 33.143 31.823 -0.086 0.000 1.004 431 V HN 1.108 nan 8.190 nan 0.000 0.424 432 F N 0.943 120.735 119.950 -0.264 0.000 2.741 432 F HA 0.694 5.217 4.527 -0.006 0.000 0.311 432 F C -0.890 174.776 175.800 -0.223 0.000 1.149 432 F CA -0.987 56.940 58.000 -0.122 0.000 0.930 432 F CB 1.463 40.499 39.000 0.060 0.000 1.312 432 F HN 0.360 nan 8.300 nan 0.000 0.450 433 E N 1.186 121.472 120.200 0.143 0.000 2.191 433 E HA 0.386 4.732 4.350 -0.006 0.000 0.278 433 E C -1.459 175.201 176.600 0.100 0.000 0.972 433 E CA -0.927 55.465 56.400 -0.012 0.000 0.804 433 E CB 2.013 31.748 29.700 0.059 0.000 1.110 433 E HN 0.569 nan 8.360 nan 0.000 0.394 434 Q N 2.758 122.568 119.800 0.017 0.000 2.330 434 Q HA 0.166 4.502 4.340 -0.006 0.000 0.269 434 Q C -1.073 174.928 176.000 0.001 0.000 1.022 434 Q CA -0.676 55.178 55.803 0.086 0.000 0.796 434 Q CB 1.171 30.008 28.738 0.165 0.000 1.271 434 Q HN 0.387 nan 8.270 nan 0.000 0.450 435 N N 3.470 122.161 118.700 -0.015 0.000 2.420 435 N HA 0.000 4.737 4.740 -0.006 0.000 0.262 435 N C -0.008 175.513 175.510 0.018 0.000 1.144 435 N CA 0.168 53.211 53.050 -0.012 0.000 0.952 435 N CB 0.960 39.425 38.487 -0.037 0.000 1.081 435 N HN 0.678 nan 8.380 nan 0.000 0.480 436 Q N 2.706 122.524 119.800 0.030 0.000 2.369 436 Q HA 0.020 4.356 4.340 -0.006 0.000 0.206 436 Q C 0.740 176.763 176.000 0.039 0.000 0.963 436 Q CA 0.616 56.445 55.803 0.043 0.000 0.894 436 Q CB -0.075 28.699 28.738 0.061 0.000 0.965 436 Q HN 0.905 nan 8.270 nan 0.000 0.475 437 G N 1.692 110.512 108.800 0.033 0.000 2.298 437 G HA2 -0.201 3.755 3.960 -0.006 0.000 0.287 437 G HA3 -0.201 3.755 3.960 -0.006 0.000 0.287 437 G C -0.382 174.539 174.900 0.035 0.000 1.075 437 G CA 0.460 45.577 45.100 0.030 0.000 0.960 437 G HN 0.265 nan 8.290 nan 0.000 0.502 438 L N -0.345 120.905 121.223 0.045 0.000 2.735 438 L HA 0.469 4.805 4.340 -0.006 0.000 0.258 438 L C -2.566 174.340 176.870 0.060 0.000 0.920 438 L CA -1.278 53.590 54.840 0.048 0.000 0.958 438 L CB 2.212 44.298 42.059 0.045 0.000 1.499 438 L HN 0.014 nan 8.230 nan 0.000 0.441 439 P HA 0.141 nan 4.420 nan 0.000 0.276 439 P C 0.558 177.897 177.300 0.064 0.000 1.230 439 P CA -0.444 62.702 63.100 0.076 0.000 0.776 439 P CB 1.545 33.297 31.700 0.087 0.000 0.888 440 L N 3.647 124.914 121.223 0.074 0.000 2.017 440 L HA -0.059 4.278 4.340 -0.006 0.000 0.208 440 L C 1.073 177.968 176.870 0.041 0.000 1.073 440 L CA 1.864 56.744 54.840 0.067 0.000 0.745 440 L CB -0.343 41.769 42.059 0.089 0.000 0.894 440 L HN 0.562 nan 8.230 nan 0.000 0.432 441 R N -0.988 119.538 120.500 0.043 0.000 2.680 441 R HA 0.629 4.965 4.340 -0.006 0.000 0.269 441 R C -1.039 175.264 176.300 0.005 0.000 1.026 441 R CA -0.937 55.175 56.100 0.019 0.000 0.889 441 R CB 1.189 31.497 30.300 0.015 0.000 1.241 441 R HN 0.102 nan 8.270 nan 0.000 0.463 442 R N 1.861 122.344 120.500 -0.028 0.000 2.579 442 R HA 0.301 4.638 4.340 -0.006 0.000 0.260 442 R C -2.144 174.102 176.300 -0.089 0.000 1.103 442 R CA -0.792 55.240 56.100 -0.113 0.000 0.942 442 R CB 1.903 32.194 30.300 -0.016 0.000 1.251 442 R HN 0.908 nan 8.270 nan 0.000 0.450 443 H N 2.179 121.004 119.070 -0.408 0.000 2.856 443 H HA 0.321 4.874 4.556 -0.005 0.000 0.355 443 H C -1.727 173.334 175.328 -0.445 0.000 1.079 443 H CA -0.464 55.403 56.048 -0.302 0.000 1.240 443 H CB 1.247 30.909 29.762 -0.165 0.000 1.701 443 H HN 0.567 nan 8.280 nan 0.000 0.527 444 H N 3.865 122.467 119.070 -0.779 0.000 2.541 444 H HA 0.338 4.890 4.556 -0.006 0.000 0.316 444 H C -0.935 173.841 175.328 -0.919 0.000 1.043 444 H CA -0.189 55.501 56.048 -0.596 0.000 1.232 444 H CB 1.149 30.802 29.762 -0.182 0.000 1.406 444 H HN 0.495 nan 8.280 nan 0.000 0.469 445 S N 4.102 119.065 115.700 -1.228 0.000 2.423 445 S HA 0.118 4.585 4.470 -0.006 0.000 0.317 445 S C 0.322 174.536 174.600 -0.644 0.000 1.065 445 S CA -0.712 56.929 58.200 -0.932 0.000 1.111 445 S CB 0.292 62.749 63.200 -1.237 0.000 0.968 445 S HN 0.666 nan 8.310 nan 0.000 0.474 446 D N 3.301 123.475 120.400 -0.376 0.000 2.339 446 D HA 0.130 4.766 4.640 -0.006 0.000 0.217 446 D C -0.307 175.969 176.300 -0.040 0.000 1.050 446 D CA 0.179 54.011 54.000 -0.280 0.000 0.856 446 D CB 0.326 41.034 40.800 -0.153 0.000 0.922 446 D HN 0.364 nan 8.370 nan 0.000 0.518 447 L N 0.648 121.821 121.223 -0.082 0.000 2.294 447 L HA 0.163 4.499 4.340 -0.006 0.000 0.283 447 L C -0.290 176.522 176.870 -0.096 0.000 1.015 447 L CA -0.292 54.427 54.840 -0.201 0.000 0.831 447 L CB 0.361 42.188 42.059 -0.387 0.000 1.217 447 L HN -0.062 nan 8.230 nan 0.000 0.420 448 Y N 0.952 121.314 120.300 0.103 0.000 2.786 448 Y HA -0.303 4.243 4.550 -0.007 0.000 0.482 448 Y C 0.856 176.791 175.900 0.058 0.000 1.231 448 Y CA 0.915 59.051 58.100 0.060 0.000 2.675 448 Y CB -1.831 36.667 38.460 0.063 0.000 0.944 448 Y HN 0.615 nan 8.280 nan 0.000 0.535 449 S N 0.215 116.103 115.700 0.314 0.000 2.532 449 S HA 0.560 5.026 4.470 -0.006 0.000 0.299 449 S C -0.977 173.854 174.600 0.384 0.000 1.105 449 S CA -0.547 57.831 58.200 0.298 0.000 1.018 449 S CB 0.784 64.200 63.200 0.360 0.000 1.021 449 S HN 0.318 nan 8.310 nan 0.000 0.483 450 H N 4.042 123.193 119.070 0.135 0.000 2.690 450 H HA 0.443 4.996 4.556 -0.006 0.000 0.289 450 H C -0.926 174.422 175.328 0.034 0.000 1.089 450 H CA -0.453 55.584 56.048 -0.020 0.000 1.299 450 H CB 0.412 30.167 29.762 -0.012 0.000 1.405 450 H HN 0.664 nan 8.280 nan 0.000 0.463 451 Y N 1.804 122.048 120.300 -0.094 0.000 2.638 451 Y HA 0.495 5.041 4.550 -0.006 0.000 0.335 451 Y C -2.097 173.602 175.900 -0.335 0.000 1.155 451 Y CA -1.680 56.300 58.100 -0.201 0.000 1.046 451 Y CB 1.374 39.797 38.460 -0.062 0.000 1.303 451 Y HN 0.361 nan 8.280 nan 0.000 0.460 452 F N 0.930 120.530 119.950 -0.582 0.000 2.565 452 F HA 0.890 5.414 4.527 -0.005 0.000 0.313 452 F C -0.676 174.901 175.800 -0.371 0.000 1.091 452 F CA -0.766 56.875 58.000 -0.597 0.000 0.915 452 F CB 2.487 40.982 39.000 -0.841 0.000 1.208 452 F HN 0.958 nan 8.300 nan 0.000 0.453 453 G N 2.586 110.912 108.800 -0.790 0.000 2.711 453 G HA2 0.584 4.540 3.960 -0.006 0.000 0.288 453 G HA3 0.584 4.540 3.960 -0.006 0.000 0.288 453 G C -1.308 173.303 174.900 -0.482 0.000 1.451 453 G CA -0.262 44.702 45.100 -0.226 0.000 1.186 453 G HN 1.130 nan 8.290 nan 0.000 0.560 454 G N -0.507 108.222 108.800 -0.119 0.000 2.682 454 G HA2 0.786 4.742 3.960 -0.006 0.000 0.303 454 G HA3 0.786 4.742 3.960 -0.006 0.000 0.303 454 G C -2.196 172.791 174.900 0.145 0.000 1.341 454 G CA -0.785 44.314 45.100 -0.001 0.000 0.784 454 G HN 1.531 nan 8.290 nan 0.000 0.497 455 L N -0.215 121.090 121.223 0.136 0.000 2.710 455 L HA 0.746 5.082 4.340 -0.006 0.000 0.262 455 L C 0.011 176.949 176.870 0.113 0.000 0.940 455 L CA -0.376 54.538 54.840 0.123 0.000 0.944 455 L CB 1.113 43.229 42.059 0.095 0.000 1.348 455 L HN 1.362 nan 8.230 nan 0.000 0.425 456 A N 3.532 126.417 122.820 0.109 0.000 2.425 456 A HA 0.436 4.752 4.320 -0.006 0.000 0.249 456 A C 0.082 177.714 177.584 0.081 0.000 1.084 456 A CA -0.172 51.918 52.037 0.089 0.000 0.781 456 A CB 0.222 19.265 19.000 0.071 0.000 1.019 456 A HN 0.758 nan 8.150 nan 0.000 0.490 457 E N 1.036 121.285 120.200 0.080 0.000 2.194 457 E HA 0.316 4.662 4.350 -0.006 0.000 0.284 457 E C -0.874 175.767 176.600 0.069 0.000 1.035 457 E CA 0.025 56.481 56.400 0.093 0.000 0.836 457 E CB 0.588 30.356 29.700 0.114 0.000 1.070 457 E HN 0.562 nan 8.360 nan 0.000 0.401 458 T N 3.760 118.355 114.554 0.069 0.000 2.809 458 T HA 0.328 4.675 4.350 -0.006 0.000 0.284 458 T C -0.442 174.277 174.700 0.031 0.000 0.992 458 T CA -0.668 61.451 62.100 0.032 0.000 0.957 458 T CB 1.020 69.900 68.868 0.021 0.000 0.942 458 T HN 0.369 nan 8.240 nan 0.000 0.439 459 V N 2.217 122.106 119.914 -0.042 0.000 2.850 459 V HA 0.839 4.955 4.120 -0.006 0.000 0.315 459 V C -0.632 175.349 176.094 -0.189 0.000 1.064 459 V CA -1.177 61.041 62.300 -0.137 0.000 0.979 459 V CB 1.583 33.224 31.823 -0.304 0.000 1.039 459 V HN 0.637 nan 8.190 nan 0.000 0.452 460 L N 3.154 124.246 121.223 -0.218 0.000 2.296 460 L HA 0.758 5.094 4.340 -0.006 0.000 0.286 460 L C -0.360 176.288 176.870 -0.369 0.000 1.023 460 L CA 0.027 54.676 54.840 -0.318 0.000 0.812 460 L CB 1.433 43.352 42.059 -0.234 0.000 1.223 460 L HN 0.683 nan 8.230 nan 0.000 0.421 461 V N 5.208 124.734 119.914 -0.648 0.000 2.769 461 V HA 0.696 4.812 4.120 -0.006 0.000 0.312 461 V C -0.577 175.238 176.094 -0.464 0.000 1.058 461 V CA -0.745 61.158 62.300 -0.661 0.000 0.952 461 V CB 2.059 33.177 31.823 -1.176 0.000 1.019 461 V HN 0.497 nan 8.190 nan 0.000 0.445 462 V N 3.907 123.678 119.914 -0.239 0.000 2.638 462 V HA 0.662 4.778 4.120 -0.006 0.000 0.306 462 V C -0.352 175.740 176.094 -0.003 0.000 1.052 462 V CA -0.682 61.549 62.300 -0.116 0.000 0.885 462 V CB 1.905 33.685 31.823 -0.071 0.000 0.999 462 V HN 0.913 nan 8.190 nan 0.000 0.424 463 R N 2.514 123.077 120.500 0.104 0.000 2.604 463 R HA 0.767 5.103 4.340 -0.006 0.000 0.281 463 R C -1.166 175.264 176.300 0.216 0.000 1.020 463 R CA -0.168 56.039 56.100 0.177 0.000 0.899 463 R CB 2.323 32.740 30.300 0.195 0.000 1.205 463 R HN 0.817 nan 8.270 nan 0.000 0.450 464 S N 3.692 119.531 115.700 0.231 0.000 2.634 464 S HA 0.656 5.122 4.470 -0.006 0.000 0.296 464 S C -0.761 173.958 174.600 0.198 0.000 1.104 464 S CA -0.965 57.322 58.200 0.146 0.000 0.920 464 S CB 1.993 65.234 63.200 0.070 0.000 1.111 464 S HN 0.533 nan 8.310 nan 0.000 0.493 465 M N 1.641 121.308 119.600 0.113 0.000 2.327 465 M HA 0.427 4.904 4.480 -0.006 0.000 0.298 465 M C -1.163 175.210 176.300 0.122 0.000 1.065 465 M CA -0.423 54.933 55.300 0.093 0.000 0.916 465 M CB 2.391 35.006 32.600 0.024 0.000 1.630 465 M HN 0.521 nan 8.290 nan 0.000 0.442 466 S N 1.399 117.223 115.700 0.207 0.000 2.433 466 S HA 0.500 4.966 4.470 -0.006 0.000 0.310 466 S C -0.403 174.272 174.600 0.125 0.000 1.097 466 S CA -0.598 57.750 58.200 0.246 0.000 1.103 466 S CB 1.261 64.760 63.200 0.499 0.000 0.992 466 S HN 0.600 nan 8.310 nan 0.000 0.469 467 T N 4.268 118.881 114.554 0.099 0.000 2.853 467 T HA 0.381 4.727 4.350 -0.006 0.000 0.317 467 T C -0.385 174.341 174.700 0.043 0.000 1.059 467 T CA -0.343 61.772 62.100 0.026 0.000 0.954 467 T CB -0.135 68.767 68.868 0.057 0.000 0.994 467 T HN 0.315 nan 8.240 nan 0.000 0.479 468 L N 5.793 126.934 121.223 -0.136 0.000 2.287 468 L HA 0.464 4.800 4.340 -0.006 0.000 0.280 468 L C 0.651 177.303 176.870 -0.364 0.000 1.055 468 L CA -0.062 54.591 54.840 -0.312 0.000 0.863 468 L CB -0.051 41.786 42.059 -0.371 0.000 1.245 468 L HN 0.711 nan 8.230 nan 0.000 0.432 469 L N 0.426 121.525 121.223 -0.206 0.000 5.671 469 L HA -0.381 3.956 4.340 -0.006 0.000 0.053 469 L C 0.638 177.336 176.870 -0.286 0.000 3.008 469 L CA 1.205 55.967 54.840 -0.131 0.000 1.404 469 L CB -0.971 40.913 42.059 -0.291 0.000 3.019 469 L HN 0.844 nan 8.230 nan 0.000 1.027 473 Y N 0.412 120.605 120.300 -0.180 0.000 2.308 473 Y HA 0.530 5.077 4.550 -0.006 0.000 0.329 473 Y C 0.529 176.084 175.900 -0.574 0.000 1.111 473 Y CA -0.766 57.090 58.100 -0.405 0.000 1.179 473 Y CB 1.178 39.283 38.460 -0.592 0.000 1.201 473 Y HN 0.125 nan 8.280 nan 0.000 0.483 474 V N 3.025 122.750 119.914 -0.315 0.000 2.435 474 V HA 0.274 4.390 4.120 -0.006 0.000 0.290 474 V C -1.088 174.851 176.094 -0.258 0.000 1.030 474 V CA -1.298 60.870 62.300 -0.220 0.000 0.881 474 V CB 0.791 32.609 31.823 -0.007 0.000 0.983 474 V HN 0.724 nan 8.190 nan 0.000 0.445 475 W N 2.349 123.772 121.300 0.205 0.000 2.338 475 W HA 0.551 5.207 4.660 -0.006 0.000 0.315 475 W C -0.390 176.184 176.519 0.092 0.000 1.005 475 W CA -0.492 56.948 57.345 0.158 0.000 1.380 475 W CB 1.083 30.598 29.460 0.092 0.000 1.235 475 W HN 0.424 nan 8.180 nan 0.000 0.409 476 D N 1.631 122.172 120.400 0.236 0.000 2.175 476 D HA 0.457 5.093 4.640 -0.006 0.000 0.248 476 D C -0.343 175.888 176.300 -0.116 0.000 1.047 476 D CA -0.100 53.934 54.000 0.056 0.000 0.883 476 D CB 1.789 42.617 40.800 0.047 0.000 1.180 476 D HN 0.025 nan 8.370 nan 0.000 0.438 477 T N 1.304 115.725 114.554 -0.222 0.000 2.847 477 T HA 0.424 4.770 4.350 -0.006 0.000 0.291 477 T C -0.582 173.763 174.700 -0.591 0.000 0.998 477 T CA -0.571 61.242 62.100 -0.478 0.000 0.967 477 T CB 1.027 69.608 68.868 -0.478 0.000 0.954 477 T HN -0.016 nan 8.240 nan 0.000 0.441 478 V N 4.315 123.800 119.914 -0.715 0.000 2.417 478 V HA 0.565 4.681 4.120 -0.006 0.000 0.291 478 V C -0.867 174.698 176.094 -0.881 0.000 1.024 478 V CA -0.924 60.986 62.300 -0.649 0.000 0.861 478 V CB 1.046 32.575 31.823 -0.489 0.000 0.985 478 V HN 0.778 nan 8.190 nan 0.000 0.436 479 F N 3.615 123.149 119.950 -0.693 0.000 2.388 479 F HA 0.524 5.047 4.527 -0.007 0.000 0.358 479 F C 0.759 176.338 175.800 -0.368 0.000 1.122 479 F CA -0.401 57.127 58.000 -0.787 0.000 1.056 479 F CB 0.777 38.912 39.000 -1.440 0.000 1.155 479 F HN 0.479 nan 8.300 nan 0.000 0.461 480 H N 3.909 123.111 119.070 0.220 0.000 2.483 480 H HA 0.202 4.755 4.556 -0.006 0.000 0.338 480 H C -1.686 173.975 175.328 0.555 0.000 1.152 480 H CA -1.780 54.454 56.048 0.310 0.000 1.264 480 H CB 1.657 31.538 29.762 0.199 0.000 1.510 480 H HN 0.279 nan 8.280 nan 0.000 0.530 481 P HA -0.101 nan 4.420 nan 0.000 0.226 481 P C 1.238 178.748 177.300 0.350 0.000 1.153 481 P CA 0.898 64.266 63.100 0.446 0.000 0.777 481 P CB 0.145 32.014 31.700 0.283 0.000 0.794 482 S N -1.662 114.190 115.700 0.253 0.000 2.561 482 S HA 0.246 4.712 4.470 -0.006 0.000 0.225 482 S C 1.695 176.232 174.600 -0.106 0.000 0.977 482 S CA 0.618 58.863 58.200 0.075 0.000 0.926 482 S CB -1.254 61.981 63.200 0.058 0.000 0.769 482 S HN 0.289 nan 8.310 nan 0.000 0.533 483 G N 0.402 109.093 108.800 -0.182 0.000 2.176 483 G HA2 -0.063 3.893 3.960 -0.006 0.000 0.232 483 G HA3 -0.063 3.893 3.960 -0.006 0.000 0.232 483 G C 0.190 175.256 174.900 0.278 0.000 0.986 483 G CA -0.138 44.672 45.100 -0.484 0.000 0.643 483 G HN 1.244 nan 8.290 nan 0.000 0.522 484 A N -0.101 122.920 122.820 0.336 0.000 2.316 484 A HA 0.809 5.125 4.320 -0.006 0.000 0.284 484 A C 0.182 177.967 177.584 0.335 0.000 1.115 484 A CA -0.134 52.094 52.037 0.318 0.000 0.812 484 A CB 0.549 19.620 19.000 0.118 0.000 1.064 484 A HN 0.757 nan 8.150 nan 0.000 0.489 485 I N 0.869 121.530 120.570 0.151 0.000 2.530 485 I HA 0.418 4.584 4.170 -0.006 0.000 0.297 485 I C 0.072 176.038 176.117 -0.252 0.000 1.011 485 I CA -0.246 60.920 61.300 -0.224 0.000 1.107 485 I CB 1.943 39.702 38.000 -0.401 0.000 1.285 485 I HN 0.807 nan 8.210 nan 0.000 0.436 486 E N 6.392 126.311 120.200 -0.469 0.000 2.234 486 E HA 0.467 4.814 4.350 -0.006 0.000 0.266 486 E C -1.623 174.473 176.600 -0.839 0.000 0.877 486 E CA -0.682 55.290 56.400 -0.714 0.000 0.758 486 E CB 1.720 31.070 29.700 -0.583 0.000 1.170 486 E HN 0.353 nan 8.360 nan 0.000 0.415 487 I N 4.459 124.367 120.570 -1.102 0.000 2.355 487 I HA 0.460 4.626 4.170 -0.006 0.000 0.288 487 I C 0.082 175.674 176.117 -0.876 0.000 0.999 487 I CA -0.654 60.014 61.300 -1.053 0.000 1.163 487 I CB 0.884 37.941 38.000 -1.570 0.000 1.316 487 I HN 0.490 nan 8.210 nan 0.000 0.454 488 R N 5.362 125.559 120.500 -0.504 0.000 2.854 488 R HA 0.678 5.014 4.340 -0.006 0.000 0.271 488 R C -1.253 174.999 176.300 -0.080 0.000 0.996 488 R CA -0.764 55.105 56.100 -0.385 0.000 0.961 488 R CB 3.159 33.216 30.300 -0.406 0.000 1.182 488 R HN 0.534 nan 8.270 nan 0.000 0.479 489 F N 0.552 120.313 119.950 -0.315 0.000 2.596 489 F HA 0.547 5.070 4.527 -0.006 0.000 0.311 489 F C -1.983 173.570 175.800 -0.410 0.000 1.116 489 F CA -1.021 56.852 58.000 -0.212 0.000 0.957 489 F CB 1.098 40.142 39.000 0.073 0.000 1.250 489 F HN 0.343 nan 8.300 nan 0.000 0.444 490 Y N 3.096 123.257 120.300 -0.231 0.000 2.429 490 Y HA 0.795 5.342 4.550 -0.006 0.000 0.342 490 Y C -0.016 175.814 175.900 -0.116 0.000 1.004 490 Y CA -1.277 56.641 58.100 -0.304 0.000 1.075 490 Y CB 2.058 40.386 38.460 -0.222 0.000 1.214 490 Y HN 0.962 nan 8.280 nan 0.000 0.455 491 A N 1.784 124.624 122.820 0.033 0.000 2.288 491 A HA 0.740 5.056 4.320 -0.006 0.000 0.320 491 A C -0.063 177.483 177.584 -0.063 0.000 1.217 491 A CA -0.269 51.787 52.037 0.032 0.000 0.840 491 A CB 1.172 20.111 19.000 -0.101 0.000 1.179 491 A HN 0.751 nan 8.150 nan 0.000 0.504 492 T N 0.769 115.251 114.554 -0.120 0.000 2.626 492 T HA 0.804 5.150 4.350 -0.006 0.000 0.279 492 T C 0.448 175.044 174.700 -0.174 0.000 0.983 492 T CA 1.066 63.087 62.100 -0.131 0.000 1.059 492 T CB 0.848 69.638 68.868 -0.129 0.000 1.396 492 T HN 2.662 nan 8.240 nan 0.000 0.519 493 G N -0.003 108.686 108.800 -0.186 0.000 2.545 493 G HA2 -0.128 3.828 3.960 -0.006 0.000 0.216 493 G HA3 -0.128 3.828 3.960 -0.006 0.000 0.216 493 G C -1.183 173.560 174.900 -0.263 0.000 1.314 493 G CA -0.153 44.816 45.100 -0.219 0.000 0.906 493 G HN 0.841 nan 8.290 nan 0.000 0.563 494 Y N 0.709 120.857 120.300 -0.253 0.000 2.301 494 Y HA 0.531 5.077 4.550 -0.006 0.000 0.325 494 Y C 1.617 177.343 175.900 -0.290 0.000 1.203 494 Y CA 0.048 57.988 58.100 -0.266 0.000 1.255 494 Y CB 0.847 39.090 38.460 -0.363 0.000 1.232 494 Y HN 0.675 nan 8.280 nan 0.000 0.501 495 I N -0.103 120.465 120.570 -0.003 0.000 2.945 495 I HA 0.404 4.570 4.170 -0.006 0.000 0.292 495 I C 0.218 176.273 176.117 -0.104 0.000 1.093 495 I CA -0.479 60.799 61.300 -0.037 0.000 1.336 495 I CB 1.107 39.106 38.000 -0.001 0.000 1.435 495 I HN 0.451 nan 8.210 nan 0.000 0.593 496 S N 2.636 118.269 115.700 -0.110 0.000 2.508 496 S HA 0.606 5.073 4.470 -0.006 0.000 0.284 496 S C -0.239 174.344 174.600 -0.028 0.000 1.192 496 S CA -0.115 58.024 58.200 -0.101 0.000 1.070 496 S CB 0.640 63.727 63.200 -0.187 0.000 1.004 496 S HN 1.005 nan 8.310 nan 0.000 0.493 497 S N 3.248 118.968 115.700 0.034 0.000 2.671 497 S HA 0.948 5.414 4.470 -0.006 0.000 0.299 497 S C -0.498 174.097 174.600 -0.009 0.000 1.116 497 S CA -0.433 57.783 58.200 0.026 0.000 0.912 497 S CB 1.456 64.682 63.200 0.043 0.000 1.130 497 S HN 1.502 nan 8.310 nan 0.000 0.501 498 A N 0.683 123.453 122.820 -0.084 0.000 2.566 498 A HA 0.739 5.055 4.320 -0.006 0.000 0.292 498 A C -1.076 176.490 177.584 -0.030 0.000 1.112 498 A CA -0.795 51.082 52.037 -0.267 0.000 0.707 498 A CB 0.811 19.632 19.000 -0.298 0.000 1.302 498 A HN 1.203 nan 8.150 nan 0.000 0.409 499 F N 0.995 120.919 119.950 -0.043 0.000 2.484 499 F HA 0.498 5.022 4.527 -0.006 0.000 0.360 499 F C -0.118 175.766 175.800 0.141 0.000 1.101 499 F CA -0.562 57.537 58.000 0.165 0.000 1.251 499 F CB 0.633 39.793 39.000 0.268 0.000 1.132 499 F HN 0.464 nan 8.300 nan 0.000 0.570 500 L N 9.122 129.876 121.223 -0.782 0.000 2.281 500 L HA 0.440 4.777 4.340 -0.006 0.000 0.285 500 L C -1.237 175.188 176.870 -0.742 0.000 1.074 500 L CA -0.193 54.280 54.840 -0.612 0.000 0.817 500 L CB -0.057 41.813 42.059 -0.315 0.000 1.168 500 L HN 0.548 nan 8.230 nan 0.000 0.434 501 F N 3.059 122.774 119.950 -0.392 0.000 2.608 501 F HA 0.939 5.463 4.527 -0.006 0.000 0.309 501 F C 0.036 175.806 175.800 -0.049 0.000 1.103 501 F CA -0.419 57.469 58.000 -0.187 0.000 0.954 501 F CB 1.124 40.099 39.000 -0.041 0.000 1.267 501 F HN 0.877 nan 8.300 nan 0.000 0.444 502 G N 0.718 109.557 108.800 0.064 0.000 2.675 502 G HA2 0.474 4.430 3.960 -0.006 0.000 0.686 502 G HA3 0.474 4.430 3.960 -0.006 0.000 0.686 502 G C -1.167 173.727 174.900 -0.008 0.000 1.215 502 G CA -0.517 44.622 45.100 0.065 0.000 0.777 502 G HN 1.982 nan 8.290 nan 0.000 0.638 503 A N 1.040 123.875 122.820 0.025 0.000 2.801 503 A HA 0.779 5.095 4.320 -0.006 0.000 0.344 503 A C 1.098 178.679 177.584 -0.006 0.000 1.322 503 A CA 0.888 52.928 52.037 0.005 0.000 0.913 503 A CB 0.024 19.035 19.000 0.019 0.000 1.140 503 A HN 2.038 nan 8.150 nan 0.000 0.487 504 T N -2.912 111.621 114.554 -0.034 0.000 3.115 504 T HA 0.391 4.737 4.350 -0.006 0.000 0.256 504 T C 1.584 176.214 174.700 -0.117 0.000 0.970 504 T CA 0.850 62.908 62.100 -0.071 0.000 1.010 504 T CB -0.268 68.551 68.868 -0.083 0.000 1.151 504 T HN 1.815 nan 8.240 nan 0.000 0.479 505 G N 2.262 110.993 108.800 -0.114 0.000 2.175 505 G HA2 -0.362 3.594 3.960 -0.006 0.000 0.265 505 G HA3 -0.362 3.594 3.960 -0.006 0.000 0.265 505 G C 0.834 175.611 174.900 -0.206 0.000 0.979 505 G CA 0.933 45.960 45.100 -0.122 0.000 0.663 505 G HN 0.583 nan 8.290 nan 0.000 0.533 506 K N -1.183 118.984 120.400 -0.389 0.000 2.296 506 K HA 0.123 4.440 4.320 -0.006 0.000 0.200 506 K C 1.187 177.359 176.600 -0.713 0.000 1.048 506 K CA 1.241 57.131 56.287 -0.662 0.000 0.966 506 K CB 0.055 31.924 32.500 -1.051 0.000 0.754 506 K HN 0.618 nan 8.250 nan 0.000 0.466 507 Y N -0.413 119.844 120.300 -0.072 0.000 2.641 507 Y HA 0.290 4.836 4.550 -0.006 0.000 0.248 507 Y C 0.746 176.608 175.900 -0.064 0.000 1.170 507 Y CA -0.485 57.572 58.100 -0.072 0.000 1.201 507 Y CB 1.661 40.060 38.460 -0.102 0.000 1.232 507 Y HN 0.084 nan 8.280 nan 0.000 0.537 508 G N 0.118 108.928 108.800 0.018 0.000 2.340 508 G HA2 -0.059 3.897 3.960 -0.006 0.000 0.282 508 G HA3 -0.059 3.897 3.960 -0.006 0.000 0.282 508 G C -1.874 173.022 174.900 -0.007 0.000 1.312 508 G CA -1.147 43.960 45.100 0.011 0.000 0.942 508 G HN -0.035 nan 8.290 nan 0.000 0.495 509 N N 0.309 119.012 118.700 0.005 0.000 2.335 509 N HA 0.415 5.151 4.740 -0.006 0.000 0.304 509 N C -0.472 175.036 175.510 -0.003 0.000 1.135 509 N CA -0.554 52.499 53.050 0.006 0.000 0.817 509 N CB 2.099 40.610 38.487 0.040 0.000 1.294 509 N HN 0.702 nan 8.380 nan 0.000 0.497 510 Q N 1.187 120.982 119.800 -0.009 0.000 2.286 510 Q HA 0.157 4.493 4.340 -0.006 0.000 0.267 510 Q C 0.734 176.737 176.000 0.004 0.000 1.028 510 Q CA -0.151 55.645 55.803 -0.013 0.000 0.901 510 Q CB 0.706 29.433 28.738 -0.018 0.000 1.183 510 Q HN 0.596 nan 8.270 nan 0.000 0.392 511 V N 0.058 119.972 119.914 0.000 0.000 3.645 511 V HA 0.298 4.415 4.120 -0.006 0.000 0.275 511 V C 0.153 176.250 176.094 0.006 0.000 1.356 511 V CA 0.698 63.002 62.300 0.006 0.000 1.051 511 V CB 0.281 32.099 31.823 -0.008 0.000 0.828 511 V HN 0.650 nan 8.190 nan 0.000 0.441 512 S N -1.180 114.523 115.700 0.004 0.000 2.703 512 S HA 0.648 5.114 4.470 -0.006 0.000 0.273 512 S C -0.180 174.426 174.600 0.011 0.000 1.178 512 S CA 0.039 58.248 58.200 0.015 0.000 0.838 512 S CB 0.828 64.032 63.200 0.007 0.000 1.178 512 S HN 1.244 nan 8.310 nan 0.000 0.494 513 E N 0.135 120.346 120.200 0.017 0.000 2.493 513 E HA 0.234 4.580 4.350 -0.006 0.000 0.255 513 E C 0.543 177.117 176.600 -0.043 0.000 0.999 513 E CA 0.505 56.844 56.400 -0.101 0.000 0.934 513 E CB -1.200 28.453 29.700 -0.078 0.000 0.940 513 E HN 1.066 nan 8.360 nan 0.000 0.473 514 H N 0.268 119.399 119.070 0.101 0.000 3.047 514 H HA -0.142 4.410 4.556 -0.006 0.000 0.263 514 H C -0.197 175.143 175.328 0.019 0.000 1.168 514 H CA 1.434 57.522 56.048 0.068 0.000 1.152 514 H CB -2.371 27.553 29.762 0.269 0.000 1.278 514 H HN 0.661 nan 8.280 nan 0.000 0.339 515 T N 1.273 115.879 114.554 0.087 0.000 2.786 515 T HA 0.475 4.821 4.350 -0.006 0.000 0.283 515 T C 0.444 175.133 174.700 -0.018 0.000 0.992 515 T CA -0.801 61.326 62.100 0.045 0.000 0.954 515 T CB 2.292 71.178 68.868 0.029 0.000 0.934 515 T HN 0.121 nan 8.240 nan 0.000 0.440 516 L N 3.587 124.781 121.223 -0.048 0.000 2.290 516 L HA 0.652 4.988 4.340 -0.006 0.000 0.284 516 L C 0.587 177.437 176.870 -0.035 0.000 1.078 516 L CA 0.049 54.852 54.840 -0.062 0.000 0.815 516 L CB 0.415 42.408 42.059 -0.110 0.000 1.162 516 L HN 0.792 nan 8.230 nan 0.000 0.435 517 G N 3.280 112.068 108.800 -0.021 0.000 2.391 517 G HA2 0.403 4.359 3.960 -0.006 0.000 0.305 517 G HA3 0.403 4.359 3.960 -0.006 0.000 0.305 517 G C -0.109 174.797 174.900 0.011 0.000 1.072 517 G CA -0.103 44.989 45.100 -0.012 0.000 1.016 517 G HN 0.767 nan 8.290 nan 0.000 0.418 518 T N 0.211 114.794 114.554 0.048 0.000 2.794 518 T HA 0.337 4.683 4.350 -0.006 0.000 0.296 518 T C 0.633 175.459 174.700 0.209 0.000 0.949 518 T CA -0.707 61.460 62.100 0.112 0.000 1.101 518 T CB 1.790 70.729 68.868 0.118 0.000 0.905 518 T HN 0.508 nan 8.240 nan 0.000 0.516 519 V N 5.808 125.800 119.914 0.130 0.000 2.901 519 V HA 0.335 4.451 4.120 -0.006 0.000 0.307 519 V C -0.021 176.104 176.094 0.051 0.000 1.084 519 V CA 0.471 62.800 62.300 0.047 0.000 1.184 519 V CB -0.404 31.426 31.823 0.012 0.000 0.941 519 V HN 1.242 nan 8.190 nan 0.000 0.493 520 H N 2.466 121.364 119.070 -0.286 0.000 2.950 520 H HA 0.474 5.026 4.556 -0.006 0.000 0.307 520 H C -1.053 174.036 175.328 -0.398 0.000 1.403 520 H CA -0.288 55.448 56.048 -0.520 0.000 1.145 520 H CB 1.226 30.248 29.762 -1.233 0.000 1.844 520 H HN 0.695 nan 8.280 nan 0.000 0.515 521 T N -0.776 113.517 114.554 -0.435 0.000 2.887 521 T HA 0.427 4.774 4.350 -0.006 0.000 0.288 521 T C -0.642 173.776 174.700 -0.470 0.000 1.021 521 T CA -0.810 61.045 62.100 -0.407 0.000 1.000 521 T CB 2.049 70.769 68.868 -0.247 0.000 1.034 521 T HN 0.630 nan 8.240 nan 0.000 0.467 522 H N 1.225 120.040 119.070 -0.425 0.000 2.499 522 H HA 0.736 5.288 4.556 -0.006 0.000 0.340 522 H C -0.136 175.132 175.328 -0.099 0.000 1.148 522 H CA -0.558 55.345 56.048 -0.240 0.000 1.215 522 H CB 1.969 31.524 29.762 -0.345 0.000 1.529 522 H HN 0.941 nan 8.280 nan 0.000 0.510 523 S N 0.593 116.418 115.700 0.208 0.000 2.547 523 S HA 0.756 5.222 4.470 -0.006 0.000 0.270 523 S C -1.144 173.636 174.600 0.299 0.000 1.150 523 S CA -0.997 57.397 58.200 0.323 0.000 0.850 523 S CB 2.169 65.530 63.200 0.269 0.000 1.118 523 S HN 0.847 nan 8.310 nan 0.000 0.461 524 A N 1.127 124.115 122.820 0.281 0.000 2.515 524 A HA 0.810 5.126 4.320 -0.006 0.000 0.298 524 A C -1.376 176.097 177.584 -0.185 0.000 1.059 524 A CA -0.579 51.369 52.037 -0.148 0.000 0.698 524 A CB 1.401 20.132 19.000 -0.447 0.000 1.289 524 A HN 0.955 nan 8.150 nan 0.000 0.404 525 H N 0.724 119.237 119.070 -0.929 0.000 2.495 525 H HA 0.685 5.237 4.556 -0.006 0.000 0.348 525 H C -1.813 173.006 175.328 -0.848 0.000 1.113 525 H CA -0.447 55.094 56.048 -0.846 0.000 1.195 525 H CB 1.100 29.959 29.762 -1.506 0.000 1.521 525 H HN 0.517 nan 8.280 nan 0.000 0.509 526 F N 2.464 122.116 119.950 -0.497 0.000 2.551 526 F HA 0.278 4.801 4.527 -0.006 0.000 0.316 526 F C -0.025 175.499 175.800 -0.460 0.000 1.089 526 F CA -0.872 56.915 58.000 -0.354 0.000 0.915 526 F CB 1.912 40.854 39.000 -0.097 0.000 1.186 526 F HN 0.298 nan 8.300 nan 0.000 0.456 527 K N 2.470 122.730 120.400 -0.234 0.000 2.211 527 K HA 0.694 5.011 4.320 -0.006 0.000 0.275 527 K C -1.626 174.749 176.600 -0.376 0.000 1.024 527 K CA -0.393 55.581 56.287 -0.521 0.000 0.887 527 K CB 1.128 33.325 32.500 -0.505 0.000 1.084 527 K HN 0.539 nan 8.250 nan 0.000 0.463 528 V N 4.307 123.952 119.914 -0.449 0.000 2.340 528 V HA 0.098 4.215 4.120 -0.006 0.000 0.277 528 V C -0.864 175.062 176.094 -0.279 0.000 1.017 528 V CA -0.860 61.274 62.300 -0.276 0.000 0.820 528 V CB 1.111 32.808 31.823 -0.210 0.000 1.028 528 V HN 0.781 nan 8.190 nan 0.000 0.436 529 D N 4.863 125.139 120.400 -0.207 0.000 2.518 529 D HA 0.329 4.965 4.640 -0.006 0.000 0.230 529 D C -0.021 176.253 176.300 -0.044 0.000 1.138 529 D CA -0.140 53.788 54.000 -0.120 0.000 0.964 529 D CB 0.459 41.240 40.800 -0.032 0.000 1.011 529 D HN 0.403 nan 8.370 nan 0.000 0.517 530 L N 2.110 123.297 121.223 -0.060 0.000 2.453 530 L HA 0.189 4.525 4.340 -0.006 0.000 0.272 530 L C 0.217 177.094 176.870 0.012 0.000 1.182 530 L CA 0.251 55.069 54.840 -0.035 0.000 0.858 530 L CB 0.680 42.723 42.059 -0.027 0.000 1.120 530 L HN 0.192 nan 8.230 nan 0.000 0.474 531 D N 2.467 122.890 120.400 0.039 0.000 2.441 531 D HA 0.192 4.828 4.640 -0.006 0.000 0.287 531 D C -0.645 175.727 176.300 0.121 0.000 1.198 531 D CA -0.214 53.833 54.000 0.079 0.000 0.894 531 D CB 1.245 42.105 40.800 0.100 0.000 1.070 531 D HN 0.008 nan 8.370 nan 0.000 0.499 532 V N 1.244 121.251 119.914 0.156 0.000 2.421 532 V HA 0.309 4.425 4.120 -0.006 0.000 0.271 532 V C 1.252 177.552 176.094 0.343 0.000 1.031 532 V CA -0.425 62.031 62.300 0.261 0.000 1.032 532 V CB 0.147 32.170 31.823 0.333 0.000 1.009 532 V HN 0.704 nan 8.190 nan 0.000 0.477 533 A N 3.714 126.783 122.820 0.415 0.000 2.745 533 A HA 0.166 4.482 4.320 -0.006 0.000 0.296 533 A C 1.157 178.902 177.584 0.268 0.000 1.500 533 A CA 1.198 53.434 52.037 0.331 0.000 0.766 533 A CB -1.471 17.706 19.000 0.295 0.000 1.030 533 A HN 2.803 nan 8.150 nan 0.000 0.489 534 G N -2.744 106.187 108.800 0.218 0.000 2.434 534 G HA2 0.165 4.121 3.960 -0.006 0.000 0.671 534 G HA3 0.165 4.121 3.960 -0.006 0.000 0.671 534 G C 0.321 175.301 174.900 0.133 0.000 1.280 534 G CA -0.265 44.940 45.100 0.174 0.000 0.975 534 G HN 1.011 nan 8.290 nan 0.000 0.510 535 L N 0.045 121.321 121.223 0.088 0.000 2.068 535 L HA 0.142 4.478 4.340 -0.006 0.000 0.204 535 L C 1.375 178.248 176.870 0.004 0.000 1.076 535 L CA 1.062 55.922 54.840 0.033 0.000 0.753 535 L CB -0.448 41.610 42.059 -0.001 0.000 0.910 535 L HN 0.584 nan 8.230 nan 0.000 0.439 536 E N 1.662 121.862 120.200 0.000 0.000 2.328 536 E HA 0.107 4.454 4.350 -0.006 0.000 0.265 536 E C -0.823 175.741 176.600 -0.060 0.000 1.057 536 E CA 0.399 56.733 56.400 -0.111 0.000 0.916 536 E CB 0.091 29.748 29.700 -0.071 0.000 0.993 536 E HN 0.266 nan 8.360 nan 0.000 0.446 537 N N 2.011 120.578 118.700 -0.222 0.000 2.405 537 N HA 0.457 5.194 4.740 -0.006 0.000 0.285 537 N C -1.040 174.354 175.510 -0.193 0.000 1.262 537 N CA -0.905 52.161 53.050 0.026 0.000 0.773 537 N CB 1.715 40.253 38.487 0.085 0.000 1.490 537 N HN 0.278 nan 8.380 nan 0.000 0.486 538 W N 0.560 121.867 121.300 0.011 0.000 2.902 538 W HA 0.584 5.245 4.660 0.001 0.000 0.346 538 W C -1.015 175.410 176.519 -0.157 0.000 1.139 538 W CA -0.592 56.677 57.345 -0.126 0.000 1.139 538 W CB 1.637 30.962 29.460 -0.225 0.000 1.439 538 W HN 0.058 nan 8.180 nan 0.000 0.558 539 V N 0.978 120.839 119.914 -0.089 0.000 2.448 539 V HA 0.357 4.473 4.120 -0.006 0.000 0.295 539 V C -1.238 174.665 176.094 -0.319 0.000 1.025 539 V CA -0.489 61.744 62.300 -0.112 0.000 0.859 539 V CB 1.372 33.174 31.823 -0.034 0.000 0.988 539 V HN 0.426 nan 8.190 nan 0.000 0.431 540 W N 2.638 123.765 121.300 -0.288 0.000 2.632 540 W HA 0.774 5.432 4.660 -0.003 0.000 0.328 540 W C -0.072 176.288 176.519 -0.265 0.000 1.044 540 W CA -0.565 56.533 57.345 -0.412 0.000 1.225 540 W CB 2.059 30.904 29.460 -1.025 0.000 1.396 540 W HN 0.638 nan 8.180 nan 0.000 0.499 541 A N 2.888 125.842 122.820 0.223 0.000 2.318 541 A HA 0.716 5.032 4.320 -0.006 0.000 0.317 541 A C -0.783 176.956 177.584 0.258 0.000 1.159 541 A CA -0.631 51.539 52.037 0.220 0.000 0.799 541 A CB 0.828 19.949 19.000 0.201 0.000 1.194 541 A HN 0.677 nan 8.150 nan 0.000 0.479 542 E N 1.420 121.773 120.200 0.255 0.000 2.238 542 E HA 0.539 4.885 4.350 -0.006 0.000 0.267 542 E C -1.254 175.411 176.600 0.108 0.000 0.887 542 E CA -0.705 55.796 56.400 0.169 0.000 0.769 542 E CB 2.326 32.101 29.700 0.124 0.000 1.187 542 E HN 0.717 nan 8.360 nan 0.000 0.416 543 D N 0.855 121.282 120.400 0.045 0.000 2.921 543 D HA 0.380 5.016 4.640 -0.006 0.000 0.329 543 D C -1.219 175.056 176.300 -0.041 0.000 1.293 543 D CA -0.475 53.539 54.000 0.023 0.000 0.964 543 D CB 1.739 42.566 40.800 0.045 0.000 1.435 543 D HN 0.438 nan 8.370 nan 0.000 0.548 544 M N 0.016 119.580 119.600 -0.060 0.000 2.724 544 M HA 0.778 5.254 4.480 -0.006 0.000 0.310 544 M C -1.315 174.896 176.300 -0.148 0.000 1.217 544 M CA -0.807 54.407 55.300 -0.143 0.000 0.894 544 M CB 2.553 35.037 32.600 -0.194 0.000 1.719 544 M HN 0.110 nan 8.290 nan 0.000 0.479 545 V N 1.391 121.162 119.914 -0.239 0.000 3.147 545 V HA 0.610 4.726 4.120 -0.006 0.000 0.299 545 V C -2.129 173.782 176.094 -0.305 0.000 1.302 545 V CA -0.598 61.596 62.300 -0.178 0.000 1.015 545 V CB 2.796 34.590 31.823 -0.049 0.000 1.086 545 V HN 0.895 nan 8.190 nan 0.000 0.437 546 F N 3.756 123.712 119.950 0.010 0.000 2.443 546 F HA 0.761 5.285 4.527 -0.005 0.000 0.335 546 F C 0.021 175.824 175.800 0.005 0.000 1.104 546 F CA -0.687 57.317 58.000 0.006 0.000 1.013 546 F CB 2.149 41.152 39.000 0.005 0.000 1.136 546 F HN 0.249 nan 8.300 nan 0.000 0.470 547 V N 4.493 124.527 119.914 0.200 0.000 2.447 547 V HA 0.327 4.443 4.120 -0.006 0.000 0.292 547 V C -2.286 173.860 176.094 0.087 0.000 1.021 547 V CA -2.170 60.195 62.300 0.108 0.000 0.850 547 V CB 1.697 33.557 31.823 0.062 0.000 1.005 547 V HN 0.500 nan 8.190 nan 0.000 0.426 548 P HA 0.244 nan 4.420 nan 0.000 0.266 548 P C -0.463 176.846 177.300 0.014 0.000 1.193 548 P CA 0.324 63.441 63.100 0.028 0.000 0.770 548 P CB 0.396 32.105 31.700 0.015 0.000 0.836 549 M N 0.973 120.570 119.600 -0.005 0.000 2.426 549 M HA 0.422 4.898 4.480 -0.006 0.000 0.289 549 M C -1.045 175.224 176.300 -0.052 0.000 1.168 549 M CA -0.851 54.436 55.300 -0.022 0.000 0.933 549 M CB 2.375 34.964 32.600 -0.018 0.000 1.750 549 M HN 0.269 nan 8.290 nan 0.000 0.494 550 A N 2.314 125.097 122.820 -0.062 0.000 2.477 550 A HA 0.450 4.766 4.320 -0.006 0.000 0.246 550 A C -0.141 177.347 177.584 -0.160 0.000 1.078 550 A CA -0.340 51.642 52.037 -0.093 0.000 0.770 550 A CB 0.005 18.959 19.000 -0.078 0.000 1.011 550 A HN 0.599 nan 8.150 nan 0.000 0.494 551 V N 5.998 125.766 119.914 -0.242 0.000 2.458 551 V HA 0.020 4.136 4.120 -0.006 0.000 0.287 551 V C -1.258 174.537 176.094 -0.498 0.000 1.009 551 V CA -0.387 61.607 62.300 -0.509 0.000 1.091 551 V CB 0.563 31.977 31.823 -0.682 0.000 0.960 551 V HN 0.835 nan 8.190 nan 0.000 0.476 552 P HA -0.167 nan 4.420 nan 0.000 0.216 552 P C 1.194 178.470 177.300 -0.040 0.000 1.157 552 P CA 1.818 64.839 63.100 -0.131 0.000 0.880 552 P CB -0.002 31.732 31.700 0.057 0.000 0.791 553 W N -1.737 119.578 121.300 0.024 0.000 3.345 553 W HA 0.485 5.139 4.660 -0.010 0.000 0.282 553 W C 0.087 176.630 176.519 0.040 0.000 1.302 553 W CA 0.126 57.486 57.345 0.024 0.000 1.724 553 W CB -0.437 29.033 29.460 0.016 0.000 1.104 553 W HN -0.116 nan 8.180 nan 0.000 0.694 554 S N 0.264 115.816 115.700 -0.248 0.000 2.835 554 S HA 0.206 4.673 4.470 -0.006 0.000 0.140 554 S C -2.191 172.349 174.600 -0.100 0.000 1.131 554 S CA -0.631 57.517 58.200 -0.087 0.000 1.110 554 S CB -0.090 63.116 63.200 0.010 0.000 1.683 554 S HN -0.166 nan 8.310 nan 0.000 0.473 555 P HA 0.067 nan 4.420 nan 0.000 0.228 555 P C 1.529 178.767 177.300 -0.102 0.000 1.151 555 P CA 1.422 64.463 63.100 -0.098 0.000 0.770 555 P CB 0.040 31.700 31.700 -0.067 0.000 0.786 556 E N -0.725 119.398 120.200 -0.129 0.000 2.331 556 E HA -0.190 4.157 4.350 -0.006 0.000 0.199 556 E C 0.305 176.698 176.600 -0.346 0.000 1.008 556 E CA 1.206 57.467 56.400 -0.231 0.000 0.843 556 E CB -1.328 28.206 29.700 -0.276 0.000 0.761 556 E HN 0.487 nan 8.360 nan 0.000 0.507 557 H N -2.224 116.785 119.070 -0.101 0.000 2.616 557 H HA 0.586 5.138 4.556 -0.007 0.000 0.353 557 H C -0.588 174.664 175.328 -0.127 0.000 1.170 557 H CA -0.807 55.176 56.048 -0.108 0.000 1.212 557 H CB 1.825 31.513 29.762 -0.124 0.000 1.653 557 H HN 0.205 nan 8.280 nan 0.000 0.537 558 Q N 2.301 122.135 119.800 0.057 0.000 2.316 558 Q HA 0.444 4.780 4.340 -0.006 0.000 0.264 558 Q C -1.641 174.342 176.000 -0.029 0.000 0.987 558 Q CA -0.896 54.901 55.803 -0.011 0.000 0.852 558 Q CB 1.060 29.794 28.738 -0.007 0.000 1.287 558 Q HN 0.593 nan 8.270 nan 0.000 0.448 559 L N 0.596 121.788 121.223 -0.052 0.000 2.341 559 L HA 0.699 5.035 4.340 -0.006 0.000 0.267 559 L C -0.983 175.883 176.870 -0.008 0.000 1.009 559 L CA -1.022 53.795 54.840 -0.039 0.000 0.819 559 L CB 2.095 44.120 42.059 -0.056 0.000 1.323 559 L HN 0.422 nan 8.230 nan 0.000 0.425 560 Q N 2.844 122.646 119.800 0.004 0.000 2.421 560 Q HA 0.293 4.630 4.340 -0.006 0.000 0.242 560 Q C -0.814 175.308 176.000 0.203 0.000 1.024 560 Q CA -0.268 55.567 55.803 0.053 0.000 0.891 560 Q CB 1.331 30.001 28.738 -0.113 0.000 1.222 560 Q HN 0.504 nan 8.270 nan 0.000 0.483 561 R N 2.889 123.504 120.500 0.192 0.000 2.248 561 R HA 0.184 4.521 4.340 -0.006 0.000 0.337 561 R C -0.747 175.651 176.300 0.163 0.000 1.106 561 R CA -0.554 55.640 56.100 0.157 0.000 0.959 561 R CB -0.304 30.041 30.300 0.077 0.000 1.075 561 R HN 0.415 nan 8.270 nan 0.000 0.480 562 L N 3.724 125.033 121.223 0.144 0.000 2.455 562 L HA 0.210 4.547 4.340 -0.006 0.000 0.272 562 L C -0.735 176.046 176.870 -0.148 0.000 1.174 562 L CA 1.057 55.786 54.840 -0.186 0.000 0.869 562 L CB 0.509 42.453 42.059 -0.191 0.000 1.130 562 L HN 0.745 nan 8.230 nan 0.000 0.474 563 Q N 3.203 122.878 119.800 -0.210 0.000 2.456 563 Q HA 0.550 4.886 4.340 -0.006 0.000 0.283 563 Q C -1.473 174.442 176.000 -0.142 0.000 1.084 563 Q CA -1.137 54.591 55.803 -0.125 0.000 0.801 563 Q CB 2.451 31.147 28.738 -0.070 0.000 1.434 563 Q HN 0.453 nan 8.270 nan 0.000 0.419 564 V N 1.660 121.515 119.914 -0.099 0.000 2.407 564 V HA 0.308 4.425 4.120 -0.006 0.000 0.278 564 V C 0.164 176.232 176.094 -0.043 0.000 1.037 564 V CA -0.369 61.876 62.300 -0.090 0.000 0.900 564 V CB 1.150 32.918 31.823 -0.092 0.000 0.983 564 V HN 0.897 nan 8.190 nan 0.000 0.459 565 T N 3.401 117.940 114.554 -0.025 0.000 2.875 565 T HA 0.706 5.052 4.350 -0.006 0.000 0.284 565 T C -0.398 174.338 174.700 0.060 0.000 0.995 565 T CA -0.803 61.310 62.100 0.022 0.000 1.060 565 T CB 1.487 70.373 68.868 0.029 0.000 0.967 565 T HN 0.726 nan 8.240 nan 0.000 0.476 566 R N 1.327 121.887 120.500 0.101 0.000 2.621 566 R HA 0.625 4.961 4.340 -0.006 0.000 0.284 566 R C -1.481 174.958 176.300 0.231 0.000 0.998 566 R CA -0.840 55.367 56.100 0.178 0.000 0.895 566 R CB 1.565 31.961 30.300 0.160 0.000 1.195 566 R HN 0.807 nan 8.270 nan 0.000 0.450 567 K N 4.361 124.937 120.400 0.293 0.000 2.501 567 K HA 0.299 4.615 4.320 -0.006 0.000 0.252 567 K C -1.733 174.986 176.600 0.198 0.000 0.934 567 K CA -0.878 55.543 56.287 0.225 0.000 0.797 567 K CB 1.621 34.206 32.500 0.143 0.000 1.270 567 K HN 0.441 nan 8.250 nan 0.000 0.431 568 L N 5.310 126.523 121.223 -0.018 0.000 2.290 568 L HA 0.361 4.697 4.340 -0.006 0.000 0.284 568 L C -1.050 175.701 176.870 -0.199 0.000 1.078 568 L CA -0.104 54.482 54.840 -0.423 0.000 0.815 568 L CB 0.735 42.388 42.059 -0.676 0.000 1.162 568 L HN 0.559 nan 8.230 nan 0.000 0.435 569 L N 5.736 126.847 121.223 -0.187 0.000 2.261 569 L HA 0.283 4.619 4.340 -0.006 0.000 0.289 569 L C 1.076 177.888 176.870 -0.097 0.000 1.059 569 L CA -0.051 54.739 54.840 -0.083 0.000 0.816 569 L CB 1.064 43.111 42.059 -0.020 0.000 1.191 569 L HN 0.790 nan 8.230 nan 0.000 0.431 570 E N 3.652 123.809 120.200 -0.071 0.000 2.099 570 E HA 0.051 4.398 4.350 -0.006 0.000 0.191 570 E C 0.395 176.958 176.600 -0.060 0.000 0.962 570 E CA 0.458 56.823 56.400 -0.059 0.000 0.826 570 E CB 0.498 30.175 29.700 -0.038 0.000 0.788 570 E HN 0.430 nan 8.360 nan 0.000 0.461 571 M N 1.061 120.628 119.600 -0.054 0.000 2.472 571 M HA 0.209 4.686 4.480 -0.006 0.000 0.331 571 M C 0.725 176.989 176.300 -0.060 0.000 1.170 571 M CA -0.038 55.230 55.300 -0.054 0.000 1.009 571 M CB 1.384 33.957 32.600 -0.044 0.000 1.672 571 M HN 0.054 nan 8.290 nan 0.000 0.453 572 E N 0.976 121.142 120.200 -0.057 0.000 2.147 572 E HA -0.229 4.118 4.350 -0.006 0.000 0.199 572 E C 1.183 177.739 176.600 -0.073 0.000 1.005 572 E CA 1.665 58.032 56.400 -0.055 0.000 0.810 572 E CB 0.283 29.953 29.700 -0.049 0.000 0.736 572 E HN 0.592 nan 8.360 nan 0.000 0.460 573 E N 0.259 120.416 120.200 -0.071 0.000 2.204 573 E HA -0.190 4.156 4.350 -0.006 0.000 0.194 573 E C 1.920 178.445 176.600 -0.124 0.000 0.989 573 E CA 0.663 57.017 56.400 -0.077 0.000 0.824 573 E CB -0.075 29.595 29.700 -0.051 0.000 0.756 573 E HN 0.408 nan 8.360 nan 0.000 0.477 574 Q N 0.083 119.810 119.800 -0.123 0.000 2.369 574 Q HA 0.024 4.360 4.340 -0.006 0.000 0.206 574 Q C 1.458 177.282 176.000 -0.294 0.000 0.963 574 Q CA 0.915 56.622 55.803 -0.161 0.000 0.894 574 Q CB 0.232 28.922 28.738 -0.081 0.000 0.965 574 Q HN 0.140 nan 8.270 nan 0.000 0.475 575 A N 0.125 122.799 122.820 -0.244 0.000 2.460 575 A HA 0.516 4.832 4.320 -0.006 0.000 0.258 575 A C 0.440 177.849 177.584 -0.292 0.000 1.300 575 A CA -0.116 51.792 52.037 -0.216 0.000 0.913 575 A CB 0.400 19.401 19.000 0.002 0.000 1.031 575 A HN 0.167 nan 8.150 nan 0.000 0.512 576 A N 0.351 122.929 122.820 -0.403 0.000 2.412 576 A HA 0.671 4.987 4.320 -0.006 0.000 0.334 576 A C -0.909 176.594 177.584 -0.134 0.000 1.419 576 A CA -0.368 51.593 52.037 -0.126 0.000 0.930 576 A CB -0.463 18.529 19.000 -0.013 0.000 1.149 576 A HN 0.268 nan 8.150 nan 0.000 0.515 577 F N 3.130 123.254 119.950 0.289 0.000 2.350 577 F HA 0.376 4.899 4.527 -0.007 0.000 0.365 577 F C 0.220 176.162 175.800 0.237 0.000 1.122 577 F CA -0.698 57.436 58.000 0.223 0.000 1.139 577 F CB 0.882 39.980 39.000 0.162 0.000 1.220 577 F HN 0.300 nan 8.300 nan 0.000 0.499 578 L N 3.231 124.600 121.223 0.243 0.000 2.467 578 L HA 0.135 4.472 4.340 -0.006 0.000 0.270 578 L C 0.259 177.187 176.870 0.096 0.000 1.205 578 L CA -0.079 54.785 54.840 0.039 0.000 0.828 578 L CB 0.258 42.274 42.059 -0.072 0.000 1.101 578 L HN 0.262 nan 8.230 nan 0.000 0.479 579 V N 2.463 122.395 119.914 0.031 0.000 2.585 579 V HA 0.352 4.468 4.120 -0.006 0.000 0.296 579 V C 1.182 177.298 176.094 0.037 0.000 1.035 579 V CA 1.423 63.755 62.300 0.054 0.000 1.084 579 V CB 0.300 32.143 31.823 0.033 0.000 0.953 579 V HN 1.025 nan 8.190 nan 0.000 0.483 580 G N 4.079 112.911 108.800 0.053 0.000 2.258 580 G HA2 -0.251 3.705 3.960 -0.006 0.000 0.233 580 G HA3 -0.251 3.705 3.960 -0.006 0.000 0.233 580 G C 0.531 175.464 174.900 0.055 0.000 1.006 580 G CA 0.164 45.289 45.100 0.041 0.000 0.620 580 G HN 0.737 nan 8.290 nan 0.000 0.511 581 S N 1.144 116.893 115.700 0.082 0.000 2.573 581 S HA 0.555 5.022 4.470 -0.006 0.000 0.277 581 S C 0.911 175.573 174.600 0.103 0.000 1.346 581 S CA 0.252 58.518 58.200 0.111 0.000 1.034 581 S CB 1.207 64.517 63.200 0.183 0.000 0.879 581 S HN 1.605 nan 8.310 nan 0.000 0.528 582 A N 1.893 124.773 122.820 0.099 0.000 2.407 582 A HA 0.504 4.820 4.320 -0.006 0.000 0.248 582 A C 0.453 178.076 177.584 0.064 0.000 1.082 582 A CA -0.134 51.945 52.037 0.071 0.000 0.785 582 A CB 0.204 nan 19.000 nan 0.000 1.020 582 A HN 0.671 nan 8.150 nan 0.000 0.489 583 T N 2.335 116.869 114.554 -0.034 0.000 2.861 583 T HA 0.619 4.965 4.350 -0.006 0.000 0.287 583 T C -2.861 171.743 174.700 -0.159 0.000 1.003 583 T CA -1.577 60.391 62.100 -0.220 0.000 0.977 583 T CB 0.866 69.572 68.868 -0.271 0.000 0.996 583 T HN 0.455 nan 8.240 nan 0.000 0.448 584 P HA 0.247 nan 4.420 nan 0.000 0.264 584 P C 0.619 177.894 177.300 -0.041 0.000 1.183 584 P CA -0.097 62.972 63.100 -0.052 0.000 0.763 584 P CB 0.499 32.190 31.700 -0.014 0.000 0.807 585 R N 1.247 121.768 120.500 0.035 0.000 2.115 585 R HA -0.051 4.285 4.340 -0.006 0.000 0.230 585 R C 0.019 176.348 176.300 0.048 0.000 1.111 585 R CA 1.212 57.340 56.100 0.048 0.000 0.976 585 R CB -0.077 30.291 30.300 0.114 0.000 0.870 585 R HN 0.500 nan 8.270 nan 0.000 0.445 586 Y N -0.178 120.088 120.300 -0.056 0.000 2.326 586 Y HA 0.386 4.934 4.550 -0.003 0.000 0.331 586 Y C -0.809 175.117 175.900 0.044 0.000 0.962 586 Y CA -0.796 57.262 58.100 -0.071 0.000 1.167 586 Y CB 1.576 39.940 38.460 -0.160 0.000 1.148 586 Y HN -0.103 nan 8.280 nan 0.000 0.463 587 L N 6.662 127.966 121.223 0.135 0.000 2.409 587 L HA 0.678 5.015 4.340 -0.006 0.000 0.272 587 L C -1.653 175.379 176.870 0.269 0.000 0.980 587 L CA -0.674 54.271 54.840 0.175 0.000 0.826 587 L CB 1.193 43.279 42.059 0.044 0.000 1.268 587 L HN 0.632 nan 8.230 nan 0.000 0.407 588 Y N 2.884 123.277 120.300 0.156 0.000 2.597 588 Y HA 0.774 5.319 4.550 -0.008 0.000 0.340 588 Y C -1.889 174.187 175.900 0.292 0.000 1.097 588 Y CA -1.491 56.723 58.100 0.190 0.000 1.037 588 Y CB 1.187 39.745 38.460 0.163 0.000 1.305 588 Y HN 0.331 nan 8.280 nan 0.000 0.463 589 L N 2.686 124.138 121.223 0.383 0.000 2.317 589 L HA 0.921 5.257 4.340 -0.006 0.000 0.281 589 L C -0.203 176.956 176.870 0.483 0.000 1.024 589 L CA -0.452 54.582 54.840 0.323 0.000 0.810 589 L CB 1.658 43.851 42.059 0.224 0.000 1.240 589 L HN 0.976 nan 8.230 nan 0.000 0.427 590 A N 1.469 124.598 122.820 0.515 0.000 2.566 590 A HA 0.806 5.122 4.320 -0.006 0.000 0.292 590 A C -0.693 177.213 177.584 0.537 0.000 1.112 590 A CA -0.450 51.934 52.037 0.580 0.000 0.707 590 A CB 1.799 21.231 19.000 0.719 0.000 1.302 590 A HN 0.547 nan 8.150 nan 0.000 0.409 591 S N -0.311 115.658 115.700 0.448 0.000 2.669 591 S HA 0.209 4.675 4.470 -0.006 0.000 0.270 591 S C 1.109 175.856 174.600 0.245 0.000 1.225 591 S CA -0.081 58.354 58.200 0.392 0.000 0.991 591 S CB 0.780 64.152 63.200 0.287 0.000 0.987 591 S HN 0.724 nan 8.310 nan 0.000 0.552 592 N N 1.069 119.823 118.700 0.091 0.000 2.104 592 N HA -0.093 4.643 4.740 -0.006 0.000 0.190 592 N C 0.309 175.697 175.510 -0.205 0.000 1.024 592 N CA 1.338 54.215 53.050 -0.288 0.000 0.853 592 N CB -0.666 37.637 38.487 -0.306 0.000 1.008 592 N HN 0.644 nan 8.380 nan 0.000 0.424 593 H N -0.784 118.324 119.070 0.064 0.000 2.607 593 H HA 0.300 4.851 4.556 -0.008 0.000 0.367 593 H C 0.152 175.481 175.328 0.000 0.000 1.181 593 H CA -0.013 56.044 56.048 0.016 0.000 1.402 593 H CB 0.777 30.547 29.762 0.013 0.000 1.474 593 H HN -0.014 nan 8.280 nan 0.000 0.596 594 S N 0.991 116.747 115.700 0.094 0.000 2.689 594 S HA 0.199 4.665 4.470 -0.006 0.000 0.306 594 S C 0.495 175.060 174.600 -0.058 0.000 1.104 594 S CA -1.046 57.158 58.200 0.007 0.000 0.973 594 S CB 1.377 64.556 63.200 -0.034 0.000 1.121 594 S HN 0.758 nan 8.310 nan 0.000 0.523 595 N N 0.890 119.538 118.700 -0.087 0.000 2.418 595 N HA 0.203 4.939 4.740 -0.006 0.000 0.283 595 N C 0.687 176.019 175.510 -0.296 0.000 1.267 595 N CA -0.598 52.342 53.050 -0.183 0.000 0.975 595 N CB 0.086 38.490 38.487 -0.137 0.000 1.167 595 N HN 0.581 nan 8.380 nan 0.000 0.581 596 K N -0.725 119.345 120.400 -0.549 0.000 2.160 596 K HA -0.106 4.210 4.320 -0.006 0.000 0.206 596 K C 0.443 176.589 176.600 -0.756 0.000 1.047 596 K CA 1.485 57.272 56.287 -0.834 0.000 0.930 596 K CB -0.175 31.505 32.500 -1.367 0.000 0.720 596 K HN 0.681 nan 8.250 nan 0.000 0.450 597 W N 0.013 121.296 121.300 -0.028 0.000 3.325 597 W HA 0.304 4.952 4.660 -0.019 0.000 0.370 597 W C 0.888 177.341 176.519 -0.110 0.000 1.169 597 W CA -0.134 57.191 57.345 -0.033 0.000 1.874 597 W CB 0.292 29.767 29.460 0.024 0.000 1.076 597 W HN 0.228 nan 8.180 nan 0.000 0.684 598 G N 0.403 109.174 108.800 -0.047 0.000 2.143 598 G HA2 -0.268 3.689 3.960 -0.006 0.000 0.249 598 G HA3 -0.268 3.689 3.960 -0.006 0.000 0.249 598 G C 0.047 174.784 174.900 -0.271 0.000 0.981 598 G CA -0.290 44.716 45.100 -0.157 0.000 0.665 598 G HN 0.439 nan 8.290 nan 0.000 0.528 599 H N 0.599 119.646 119.070 -0.037 0.000 2.467 599 H HA 0.359 4.915 4.556 0.000 0.000 0.331 599 H C -2.290 172.999 175.328 -0.065 0.000 1.120 599 H CA -1.735 54.264 56.048 -0.082 0.000 1.270 599 H CB 1.523 31.209 29.762 -0.127 0.000 1.466 599 H HN 0.066 nan 8.280 nan 0.000 0.504 600 P HA 0.010 nan 4.420 nan 0.000 0.265 600 P C -0.120 177.273 177.300 0.156 0.000 1.193 600 P CA 0.176 63.337 63.100 0.102 0.000 0.765 600 P CB 0.569 32.349 31.700 0.133 0.000 0.823 601 R N 2.186 122.792 120.500 0.177 0.000 2.296 601 R HA 0.466 4.802 4.340 -0.006 0.000 0.323 601 R C 0.794 177.339 176.300 0.407 0.000 1.067 601 R CA 0.017 56.243 56.100 0.209 0.000 0.946 601 R CB 0.185 30.547 30.300 0.104 0.000 0.991 601 R HN 0.585 nan 8.270 nan 0.000 0.448 602 G N 1.947 110.987 108.800 0.399 0.000 2.533 602 G HA2 0.494 4.450 3.960 -0.006 0.000 0.304 602 G HA3 0.494 4.450 3.960 -0.006 0.000 0.304 602 G C -1.760 173.355 174.900 0.359 0.000 1.263 602 G CA -0.372 45.024 45.100 0.493 0.000 0.964 602 G HN 0.407 nan 8.290 nan 0.000 0.479 603 Y N -0.072 120.394 120.300 0.276 0.000 2.425 603 Y HA 0.603 5.150 4.550 -0.006 0.000 0.344 603 Y C 0.319 176.342 175.900 0.206 0.000 0.969 603 Y CA -0.853 57.329 58.100 0.136 0.000 1.052 603 Y CB 2.444 40.904 38.460 -0.000 0.000 1.215 603 Y HN 0.543 nan 8.280 nan 0.000 0.451 604 R N 4.926 125.555 120.500 0.215 0.000 2.562 604 R HA 0.618 4.955 4.340 -0.006 0.000 0.298 604 R C -1.628 174.752 176.300 0.133 0.000 0.961 604 R CA -0.567 55.627 56.100 0.157 0.000 0.881 604 R CB 0.927 31.195 30.300 -0.053 0.000 1.159 604 R HN 0.780 nan 8.270 nan 0.000 0.450 605 I N 3.920 124.558 120.570 0.114 0.000 2.315 605 I HA 0.205 4.371 4.170 -0.006 0.000 0.291 605 I C -0.023 176.116 176.117 0.036 0.000 1.006 605 I CA -0.236 61.118 61.300 0.091 0.000 1.265 605 I CB 1.569 39.590 38.000 0.035 0.000 1.387 605 I HN 0.481 nan 8.210 nan 0.000 0.475 606 Q N 7.586 127.439 119.800 0.087 0.000 2.330 606 Q HA 0.538 4.874 4.340 -0.006 0.000 0.269 606 Q C -1.382 174.710 176.000 0.154 0.000 1.022 606 Q CA -0.763 55.066 55.803 0.044 0.000 0.796 606 Q CB 1.963 30.691 28.738 -0.017 0.000 1.271 606 Q HN 0.620 nan 8.270 nan 0.000 0.450 607 M N 3.680 123.334 119.600 0.090 0.000 2.149 607 M HA 0.417 4.893 4.480 -0.006 0.000 0.342 607 M C -0.407 175.953 176.300 0.100 0.000 1.068 607 M CA -0.393 54.980 55.300 0.121 0.000 0.991 607 M CB 1.420 34.061 32.600 0.069 0.000 1.596 607 M HN 0.608 nan 8.290 nan 0.000 0.439 608 L N 2.800 124.086 121.223 0.106 0.000 2.315 608 L HA 0.693 5.030 4.340 -0.006 0.000 0.278 608 L C -0.030 176.860 176.870 0.033 0.000 1.088 608 L CA -0.137 54.730 54.840 0.047 0.000 0.899 608 L CB 0.132 42.198 42.059 0.011 0.000 1.277 608 L HN 0.802 nan 8.230 nan 0.000 0.431 609 S N 1.382 117.113 115.700 0.053 0.000 2.546 609 S HA 0.792 5.258 4.470 -0.006 0.000 0.272 609 S C -0.245 174.400 174.600 0.076 0.000 1.140 609 S CA 0.419 58.671 58.200 0.086 0.000 0.920 609 S CB 1.242 64.529 63.200 0.145 0.000 1.083 609 S HN 1.710 nan 8.310 nan 0.000 0.476 610 F N 1.513 121.520 119.950 0.095 0.000 2.837 610 F HA 0.785 5.308 4.527 -0.006 0.000 0.298 610 F C 0.969 176.848 175.800 0.133 0.000 1.161 610 F CA -0.523 57.532 58.000 0.092 0.000 1.353 610 F CB -1.208 37.829 39.000 0.061 0.000 0.951 610 F HN 1.111 nan 8.300 nan 0.000 0.508 611 A N 1.230 124.132 122.820 0.136 0.000 2.598 611 A HA 0.413 4.729 4.320 -0.006 0.000 0.239 611 A C 1.273 178.908 177.584 0.084 0.000 1.032 611 A CA 0.596 52.713 52.037 0.134 0.000 0.760 611 A CB -0.625 18.456 19.000 0.135 0.000 0.946 611 A HN 1.721 nan 8.150 nan 0.000 0.512 612 G N 1.216 110.049 108.800 0.056 0.000 2.606 612 G HA2 0.410 4.366 3.960 -0.006 0.000 0.252 612 G HA3 0.410 4.366 3.960 -0.006 0.000 0.252 612 G C 0.092 174.990 174.900 -0.004 0.000 1.206 612 G CA -0.447 44.659 45.100 0.011 0.000 0.861 612 G HN 0.912 nan 8.290 nan 0.000 0.561 613 E N 1.001 121.191 120.200 -0.015 0.000 2.415 613 E HA 0.101 4.447 4.350 -0.006 0.000 0.263 613 E C -1.631 174.946 176.600 -0.039 0.000 0.995 613 E CA -1.159 55.228 56.400 -0.021 0.000 0.915 613 E CB 0.659 30.347 29.700 -0.021 0.000 0.951 613 E HN 0.223 nan 8.360 nan 0.000 0.449 614 P HA 0.040 nan 4.420 nan 0.000 0.276 614 P C -0.466 176.808 177.300 -0.043 0.000 1.244 614 P CA -0.540 62.524 63.100 -0.060 0.000 0.801 614 P CB 0.599 32.253 31.700 -0.076 0.000 1.006 615 L N 3.835 125.046 121.223 -0.021 0.000 2.601 615 L HA 0.108 4.444 4.340 -0.006 0.000 0.277 615 L C -2.024 174.837 176.870 -0.016 0.000 1.219 615 L CA -0.909 53.939 54.840 0.013 0.000 0.915 615 L CB -1.069 41.062 42.059 0.121 0.000 1.160 615 L HN 0.309 nan 8.230 nan 0.000 0.494 616 P HA 0.008 nan 4.420 nan 0.000 0.266 616 P C -0.031 177.239 177.300 -0.051 0.000 1.193 616 P CA 0.020 63.099 63.100 -0.035 0.000 0.770 616 P CB 0.430 32.118 31.700 -0.021 0.000 0.836 617 Q N 1.409 121.171 119.800 -0.063 0.000 2.170 617 Q HA -0.202 4.134 4.340 -0.006 0.000 0.203 617 Q C 1.425 177.393 176.000 -0.053 0.000 0.976 617 Q CA 1.248 57.007 55.803 -0.074 0.000 0.858 617 Q CB -0.451 28.244 28.738 -0.071 0.000 0.907 617 Q HN 0.460 nan 8.270 nan 0.000 0.433 618 N N 0.773 119.452 118.700 -0.035 0.000 2.242 618 N HA -0.130 4.607 4.740 -0.006 0.000 0.191 618 N C 0.381 175.884 175.510 -0.012 0.000 1.005 618 N CA 0.822 53.860 53.050 -0.020 0.000 0.877 618 N CB -0.139 38.340 38.487 -0.013 0.000 0.983 618 N HN 0.024 nan 8.380 nan 0.000 0.439 619 S N -0.745 114.944 115.700 -0.018 0.000 2.505 619 S HA 0.174 4.640 4.470 -0.006 0.000 0.276 619 S C 1.335 175.924 174.600 -0.019 0.000 1.274 619 S CA -0.308 57.891 58.200 -0.003 0.000 1.053 619 S CB 0.608 63.805 63.200 -0.004 0.000 0.919 619 S HN 0.371 nan 8.310 nan 0.000 0.490 620 S N 5.552 121.282 115.700 0.049 0.000 2.419 620 S HA -0.168 4.299 4.470 -0.006 0.000 0.233 620 S C 1.827 176.434 174.600 0.012 0.000 1.016 620 S CA 1.043 59.297 58.200 0.091 0.000 0.974 620 S CB -0.500 62.842 63.200 0.237 0.000 0.786 620 S HN 0.822 nan 8.310 nan 0.000 0.492 621 M N 1.530 121.087 119.600 -0.072 0.000 2.279 621 M HA -0.007 4.469 4.480 -0.006 0.000 0.264 621 M C 2.320 178.242 176.300 -0.630 0.000 1.062 621 M CA 1.318 56.374 55.300 -0.406 0.000 1.099 621 M CB -0.497 31.955 32.600 -0.247 0.000 1.394 621 M HN 0.512 nan 8.290 nan 0.000 0.426 622 A N 0.817 123.327 122.820 -0.516 0.000 1.940 622 A HA -0.217 4.099 4.320 -0.006 0.000 0.219 622 A C 2.277 179.372 177.584 -0.815 0.000 1.176 622 A CA 2.321 53.915 52.037 -0.739 0.000 0.631 622 A CB -1.218 17.579 19.000 -0.339 0.000 0.814 622 A HN 0.625 nan 8.150 nan 0.000 0.446 623 R N -0.547 119.663 120.500 -0.484 0.000 2.200 623 R HA -0.022 4.314 4.340 -0.006 0.000 0.234 623 R C 2.268 178.339 176.300 -0.381 0.000 1.127 623 R CA 1.951 57.849 56.100 -0.337 0.000 0.989 623 R CB -1.985 28.203 30.300 -0.187 0.000 0.869 623 R HN 0.780 nan 8.270 nan 0.000 0.459 624 G N -0.297 108.158 108.800 -0.575 0.000 2.598 624 G HA2 0.176 4.133 3.960 -0.006 0.000 0.215 624 G HA3 0.176 4.133 3.960 -0.006 0.000 0.215 624 G C 0.532 175.272 174.900 -0.266 0.000 1.131 624 G CA 0.780 45.641 45.100 -0.399 0.000 0.785 624 G HN 0.856 nan 8.290 nan 0.000 0.539 625 F N -0.793 119.003 119.950 -0.257 0.000 2.514 625 F HA 0.344 4.867 4.527 -0.006 0.000 0.374 625 F C 1.116 176.481 175.800 -0.724 0.000 1.532 625 F CA -0.811 56.868 58.000 -0.534 0.000 1.082 625 F CB -0.313 38.303 39.000 -0.640 0.000 1.610 625 F HN -0.029 nan 8.300 nan 0.000 0.531 626 S N -0.158 115.348 115.700 -0.324 0.000 2.474 626 S HA -0.166 4.301 4.470 -0.006 0.000 0.235 626 S C 1.677 176.303 174.600 0.043 0.000 0.997 626 S CA 0.671 58.779 58.200 -0.153 0.000 0.949 626 S CB -0.816 62.363 63.200 -0.035 0.000 0.766 626 S HN 0.788 nan 8.310 nan 0.000 0.517 627 W N 2.023 123.330 121.300 0.012 0.000 2.341 627 W HA -0.055 4.601 4.660 -0.006 0.000 0.283 627 W C 1.499 177.974 176.519 -0.072 0.000 1.215 627 W CA 0.965 58.157 57.345 -0.255 0.000 1.211 627 W CB -0.872 27.747 29.460 -1.402 0.000 1.131 627 W HN 0.402 nan 8.180 nan 0.000 0.552 628 E N 1.314 121.177 120.200 -0.562 0.000 2.219 628 E HA -0.216 4.131 4.350 -0.006 0.000 0.198 628 E C 2.100 178.646 176.600 -0.090 0.000 0.998 628 E CA 1.428 57.586 56.400 -0.403 0.000 0.818 628 E CB -0.125 29.246 29.700 -0.550 0.000 0.741 628 E HN 0.402 nan 8.360 nan 0.000 0.477 629 R N -0.926 119.515 120.500 -0.099 0.000 2.236 629 R HA -0.012 4.324 4.340 -0.006 0.000 0.208 629 R C 0.141 176.267 176.300 -0.290 0.000 1.036 629 R CA 0.365 56.324 56.100 -0.236 0.000 1.001 629 R CB 0.123 30.179 30.300 -0.407 0.000 0.896 629 R HN 0.098 nan 8.270 nan 0.000 0.464 630 Y N 0.289 120.677 120.300 0.146 0.000 2.387 630 Y HA 0.154 4.700 4.550 -0.006 0.000 0.330 630 Y C 1.437 177.482 175.900 0.243 0.000 1.133 630 Y CA -0.748 57.483 58.100 0.218 0.000 1.152 630 Y CB 1.273 39.917 38.460 0.308 0.000 1.215 630 Y HN -0.176 nan 8.280 nan 0.000 0.466 631 Q N 1.086 121.124 119.800 0.397 0.000 2.165 631 Q HA 0.159 4.495 4.340 -0.006 0.000 0.197 631 Q C -0.638 175.556 176.000 0.322 0.000 0.952 631 Q CA 0.582 56.570 55.803 0.308 0.000 0.848 631 Q CB 0.626 29.498 28.738 0.224 0.000 0.931 631 Q HN 0.530 nan 8.270 nan 0.000 0.470 632 L N -1.316 120.150 121.223 0.405 0.000 2.556 632 L HA 0.739 5.075 4.340 -0.006 0.000 0.257 632 L C -2.287 174.847 176.870 0.441 0.000 0.955 632 L CA -0.676 54.377 54.840 0.356 0.000 0.850 632 L CB 2.274 44.492 42.059 0.264 0.000 1.398 632 L HN -0.064 nan 8.230 nan 0.000 0.412 633 A N 3.222 126.274 122.820 0.386 0.000 2.517 633 A HA 0.772 5.088 4.320 -0.006 0.000 0.297 633 A C -1.880 175.923 177.584 0.365 0.000 1.050 633 A CA -0.487 51.745 52.037 0.326 0.000 0.694 633 A CB 1.767 20.911 19.000 0.239 0.000 1.277 633 A HN 0.705 nan 8.150 nan 0.000 0.400 634 V N 2.288 122.348 119.914 0.243 0.000 2.417 634 V HA 0.801 4.917 4.120 -0.006 0.000 0.291 634 V C 0.379 176.580 176.094 0.179 0.000 1.024 634 V CA 0.125 62.547 62.300 0.203 0.000 0.861 634 V CB 1.483 33.375 31.823 0.115 0.000 0.985 634 V HN 1.219 nan 8.190 nan 0.000 0.436 635 T N 1.271 115.971 114.554 0.243 0.000 2.901 635 T HA 0.541 4.888 4.350 -0.006 0.000 0.293 635 T C -0.580 174.187 174.700 0.112 0.000 1.084 635 T CA -0.904 61.305 62.100 0.182 0.000 1.008 635 T CB 1.658 70.701 68.868 0.293 0.000 1.170 635 T HN 0.514 nan 8.240 nan 0.000 0.509 636 Q N 1.019 120.842 119.800 0.037 0.000 2.315 636 Q HA 0.126 4.462 4.340 -0.006 0.000 0.289 636 Q C 0.279 176.293 176.000 0.024 0.000 1.044 636 Q CA 0.021 55.819 55.803 -0.008 0.000 0.920 636 Q CB 0.744 29.456 28.738 -0.043 0.000 1.214 636 Q HN 0.413 nan 8.270 nan 0.000 0.392 637 R N 2.639 123.137 120.500 -0.002 0.000 2.438 637 R HA 0.178 4.515 4.340 -0.006 0.000 0.287 637 R C -0.856 175.431 176.300 -0.021 0.000 1.077 637 R CA 0.293 56.397 56.100 0.006 0.000 1.034 637 R CB 0.515 30.797 30.300 -0.030 0.000 0.993 637 R HN 0.506 nan 8.270 nan 0.000 0.459 638 K N 2.863 123.254 120.400 -0.015 0.000 2.535 638 K HA 0.118 4.434 4.320 -0.006 0.000 0.251 638 K C 0.053 176.641 176.600 -0.020 0.000 0.942 638 K CA -0.875 55.388 56.287 -0.042 0.000 0.798 638 K CB 1.985 34.433 32.500 -0.088 0.000 1.267 638 K HN 0.487 nan 8.250 nan 0.000 0.434 639 E N 1.774 121.968 120.200 -0.011 0.000 2.085 639 E HA -0.209 4.138 4.350 -0.006 0.000 0.194 639 E C 1.248 177.859 176.600 0.018 0.000 0.994 639 E CA 1.461 57.872 56.400 0.018 0.000 0.801 639 E CB 0.276 29.985 29.700 0.015 0.000 0.743 639 E HN 0.650 nan 8.360 nan 0.000 0.453 640 E N 0.991 121.181 120.200 -0.016 0.000 2.512 640 E HA -0.101 4.245 4.350 -0.006 0.000 0.195 640 E C -0.092 176.470 176.600 -0.063 0.000 1.083 640 E CA 0.426 56.811 56.400 -0.024 0.000 0.873 640 E CB -0.164 29.516 29.700 -0.035 0.000 0.897 640 E HN 0.208 nan 8.360 nan 0.000 0.514 641 E N 1.418 121.555 120.200 -0.104 0.000 3.896 641 E HA 0.147 4.493 4.350 -0.006 0.000 0.217 641 E C -1.954 174.686 176.600 0.066 0.000 1.150 641 E CA -1.398 54.844 56.400 -0.265 0.000 1.338 641 E CB 1.159 30.395 29.700 -0.773 0.000 1.242 641 E HN 0.142 nan 8.360 nan 0.000 0.435 642 P HA 0.038 nan 4.420 nan 0.000 0.231 642 P C -0.003 177.553 177.300 0.427 0.000 1.168 642 P CA 0.408 63.679 63.100 0.286 0.000 0.779 642 P CB 0.656 32.495 31.700 0.230 0.000 0.844 643 S N -1.123 114.869 115.700 0.488 0.000 2.541 643 S HA 0.262 4.728 4.470 -0.006 0.000 0.271 643 S C 0.692 175.553 174.600 0.435 0.000 1.133 643 S CA -0.347 58.139 58.200 0.476 0.000 0.876 643 S CB 1.751 65.140 63.200 0.314 0.000 1.105 643 S HN 0.030 nan 8.310 nan 0.000 0.470 644 S N 0.370 116.206 115.700 0.227 0.000 2.501 644 S HA 0.219 4.686 4.470 -0.006 0.000 0.220 644 S C 0.847 175.438 174.600 -0.015 0.000 0.997 644 S CA 0.204 58.349 58.200 -0.091 0.000 0.919 644 S CB 0.115 63.111 63.200 -0.339 0.000 0.778 644 S HN 0.476 nan 8.310 nan 0.000 0.523 645 S N -0.174 115.565 115.700 0.064 0.000 2.851 645 S HA 0.792 5.258 4.470 -0.006 0.000 0.317 645 S C -1.202 173.472 174.600 0.123 0.000 1.144 645 S CA -0.368 57.896 58.200 0.107 0.000 0.862 645 S CB 1.862 65.116 63.200 0.090 0.000 1.259 645 S HN 0.398 nan 8.310 nan 0.000 0.564 646 S N -0.311 115.444 115.700 0.091 0.000 2.537 646 S HA 0.372 4.838 4.470 -0.006 0.000 0.271 646 S C 0.265 174.809 174.600 -0.093 0.000 1.148 646 S CA -0.148 58.073 58.200 0.035 0.000 0.868 646 S CB 1.236 64.493 63.200 0.094 0.000 1.115 646 S HN 0.879 nan 8.310 nan 0.000 0.461 647 V N 3.886 123.595 119.914 -0.342 0.000 2.867 647 V HA 0.058 4.175 4.120 -0.006 0.000 0.260 647 V C 0.784 176.555 176.094 -0.537 0.000 1.099 647 V CA 1.783 63.761 62.300 -0.537 0.000 1.122 647 V CB -0.883 30.321 31.823 -1.032 0.000 0.708 647 V HN 0.783 nan 8.190 nan 0.000 0.490 648 F N 0.078 119.960 119.950 -0.113 0.000 2.765 648 F HA 0.268 4.791 4.527 -0.006 0.000 0.302 648 F C 1.778 177.524 175.800 -0.090 0.000 1.111 648 F CA 0.130 58.048 58.000 -0.136 0.000 1.359 648 F CB -0.758 38.136 39.000 -0.177 0.000 1.097 648 F HN 0.236 nan 8.300 nan 0.000 0.577 649 N N 0.129 118.869 118.700 0.067 0.000 2.290 649 N HA -0.127 4.610 4.740 -0.006 0.000 0.179 649 N C 1.901 177.429 175.510 0.030 0.000 1.016 649 N CA 0.615 53.696 53.050 0.051 0.000 0.871 649 N CB -0.301 38.231 38.487 0.076 0.000 0.987 649 N HN 0.160 nan 8.380 nan 0.000 0.431 650 Q N 0.996 120.827 119.800 0.052 0.000 2.077 650 Q HA -0.083 4.253 4.340 -0.006 0.000 0.206 650 Q C 0.988 177.001 176.000 0.023 0.000 0.989 650 Q CA 1.718 57.562 55.803 0.069 0.000 0.853 650 Q CB -0.206 28.597 28.738 0.108 0.000 0.907 650 Q HN 0.264 nan 8.270 nan 0.000 0.418 651 N N -0.304 118.411 118.700 0.025 0.000 2.405 651 N HA 0.001 4.737 4.740 -0.006 0.000 0.175 651 N C -0.554 175.037 175.510 0.134 0.000 1.051 651 N CA 0.740 53.827 53.050 0.061 0.000 0.899 651 N CB 0.419 38.927 38.487 0.035 0.000 1.000 651 N HN 0.198 nan 8.380 nan 0.000 0.451 652 D N -0.156 120.298 120.400 0.090 0.000 2.552 652 D HA 0.194 4.830 4.640 -0.006 0.000 0.285 652 D C -2.033 174.259 176.300 -0.014 0.000 1.206 652 D CA -1.727 52.384 54.000 0.184 0.000 0.826 652 D CB 1.210 42.183 40.800 0.287 0.000 1.179 652 D HN 0.011 nan 8.370 nan 0.000 0.508 653 P HA -0.015 nan 4.420 nan 0.000 0.231 653 P C 1.427 178.505 177.300 -0.369 0.000 1.168 653 P CA 0.329 63.186 63.100 -0.406 0.000 0.779 653 P CB 0.109 31.461 31.700 -0.580 0.000 0.844 654 W N 0.938 122.222 121.300 -0.028 0.000 2.402 654 W HA 0.170 4.827 4.660 -0.006 0.000 0.286 654 W C 1.033 177.535 176.519 -0.029 0.000 1.221 654 W CA 0.677 57.997 57.345 -0.041 0.000 1.257 654 W CB -0.738 28.705 29.460 -0.028 0.000 1.120 654 W HN -0.007 nan 8.180 nan 0.000 0.551 655 A N 1.572 124.527 122.820 0.225 0.000 3.165 655 A HA 0.345 4.662 4.320 -0.006 0.000 0.331 655 A C -2.286 175.337 177.584 0.065 0.000 1.034 655 A CA -1.140 50.976 52.037 0.132 0.000 0.906 655 A CB -0.540 18.557 19.000 0.162 0.000 1.054 655 A HN -0.246 nan 8.150 nan 0.000 0.484 656 P HA 0.028 nan 4.420 nan 0.000 0.265 656 P C 0.782 178.090 177.300 0.013 0.000 1.193 656 P CA 0.544 63.640 63.100 -0.006 0.000 0.765 656 P CB 0.904 32.578 31.700 -0.044 0.000 0.823 657 T N 1.081 115.644 114.554 0.014 0.000 2.770 657 T HA 0.022 4.368 4.350 -0.006 0.000 0.263 657 T C 0.901 175.630 174.700 0.049 0.000 1.039 657 T CA 0.967 63.056 62.100 -0.018 0.000 1.142 657 T CB 0.016 68.857 68.868 -0.045 0.000 0.868 657 T HN 0.235 nan 8.240 nan 0.000 0.435 658 V N 2.053 122.018 119.914 0.085 0.000 2.495 658 V HA 0.501 4.617 4.120 -0.006 0.000 0.298 658 V C -1.063 175.062 176.094 0.052 0.000 1.031 658 V CA -1.078 61.299 62.300 0.128 0.000 0.871 658 V CB 1.870 33.801 31.823 0.179 0.000 0.988 658 V HN 0.214 nan 8.190 nan 0.000 0.432 659 D N 2.684 123.092 120.400 0.013 0.000 2.440 659 D HA 0.249 4.885 4.640 -0.006 0.000 0.252 659 D C 0.394 176.563 176.300 -0.219 0.000 1.180 659 D CA -0.597 53.366 54.000 -0.063 0.000 0.894 659 D CB 1.129 41.902 40.800 -0.045 0.000 1.111 659 D HN 0.308 nan 8.370 nan 0.000 0.544 660 F N 3.518 123.205 119.950 -0.440 0.000 2.126 660 F HA -0.214 4.309 4.527 -0.007 0.000 0.299 660 F C 2.270 177.683 175.800 -0.645 0.000 1.096 660 F CA 2.190 59.684 58.000 -0.844 0.000 1.255 660 F CB -0.363 38.324 39.000 -0.522 0.000 0.997 660 F HN 0.417 nan 8.300 nan 0.000 0.479 661 S N -0.333 115.126 115.700 -0.403 0.000 2.420 661 S HA -0.248 4.218 4.470 -0.006 0.000 0.237 661 S C 1.670 176.075 174.600 -0.325 0.000 1.023 661 S CA 1.526 59.520 58.200 -0.343 0.000 0.991 661 S CB -0.905 62.274 63.200 -0.036 0.000 0.792 661 S HN 0.481 nan 8.310 nan 0.000 0.488 662 D N 1.055 121.319 120.400 -0.227 0.000 2.265 662 D HA -0.016 4.620 4.640 -0.006 0.000 0.208 662 D C 1.411 177.747 176.300 0.059 0.000 0.977 662 D CA 0.830 54.802 54.000 -0.047 0.000 0.871 662 D CB -0.492 40.345 40.800 0.062 0.000 0.925 662 D HN 0.615 nan 8.370 nan 0.000 0.485 663 F N 0.286 119.992 119.950 -0.407 0.000 2.325 663 F HA 0.039 4.562 4.527 -0.006 0.000 0.299 663 F C 1.182 176.786 175.800 -0.327 0.000 1.090 663 F CA -0.144 57.629 58.000 -0.377 0.000 1.392 663 F CB 0.141 38.795 39.000 -0.577 0.000 1.053 663 F HN -0.187 nan 8.300 nan 0.000 0.521 664 I N 2.848 123.288 120.570 -0.215 0.000 2.294 664 I HA 0.002 4.168 4.170 -0.006 0.000 0.295 664 I C 0.301 176.355 176.117 -0.105 0.000 1.098 664 I CA 0.102 61.289 61.300 -0.188 0.000 1.277 664 I CB 0.145 37.974 38.000 -0.286 0.000 1.434 664 I HN 0.209 nan 8.210 nan 0.000 0.498 665 N N 5.876 124.535 118.700 -0.068 0.000 2.390 665 N HA 0.013 4.750 4.740 -0.006 0.000 0.259 665 N C -0.035 175.451 175.510 -0.040 0.000 1.395 665 N CA -0.357 52.664 53.050 -0.047 0.000 0.852 665 N CB 0.166 38.631 38.487 -0.037 0.000 1.371 665 N HN 0.552 nan 8.380 nan 0.000 0.491 666 N N 1.015 119.689 118.700 -0.043 0.000 2.771 666 N HA -0.170 4.566 4.740 -0.006 0.000 0.249 666 N C -1.306 174.182 175.510 -0.037 0.000 1.069 666 N CA 1.063 54.090 53.050 -0.037 0.000 0.688 666 N CB -0.853 37.616 38.487 -0.030 0.000 0.928 666 N HN 0.670 nan 8.380 nan 0.000 0.551 667 E N -1.187 118.987 120.200 -0.043 0.000 2.334 667 E HA 0.454 4.800 4.350 -0.006 0.000 0.256 667 E C -0.045 176.523 176.600 -0.053 0.000 0.958 667 E CA -0.977 55.396 56.400 -0.046 0.000 0.821 667 E CB 0.849 30.520 29.700 -0.049 0.000 1.269 667 E HN 0.146 nan 8.360 nan 0.000 0.413 668 T N 0.541 115.058 114.554 -0.061 0.000 2.919 668 T HA 0.255 4.602 4.350 -0.006 0.000 0.302 668 T C 0.605 175.243 174.700 -0.104 0.000 1.031 668 T CA -0.264 61.790 62.100 -0.078 0.000 1.127 668 T CB 0.068 68.888 68.868 -0.081 0.000 0.952 668 T HN 0.501 nan 8.240 nan 0.000 0.540 669 I N 1.800 122.297 120.570 -0.123 0.000 3.833 669 I HA 0.553 4.719 4.170 -0.006 0.000 0.328 669 I C 0.641 176.591 176.117 -0.278 0.000 1.554 669 I CA -0.893 60.309 61.300 -0.163 0.000 1.116 669 I CB 0.187 38.124 38.000 -0.103 0.000 1.182 669 I HN 0.492 nan 8.210 nan 0.000 0.459 670 A N 1.887 124.530 122.820 -0.295 0.000 2.774 670 A HA 0.657 4.973 4.320 -0.006 0.000 0.326 670 A C 1.142 178.224 177.584 -0.837 0.000 1.478 670 A CA 0.237 52.015 52.037 -0.432 0.000 1.099 670 A CB -0.824 18.149 19.000 -0.044 0.000 1.148 670 A HN 1.017 nan 8.150 nan 0.000 0.519 671 G N 1.564 109.377 108.800 -1.645 0.000 2.270 671 G HA2 -0.134 3.822 3.960 -0.006 0.000 0.224 671 G HA3 -0.134 3.822 3.960 -0.006 0.000 0.224 671 G C -0.168 174.260 174.900 -0.786 0.000 1.079 671 G CA -0.079 43.926 45.100 -1.826 0.000 0.807 671 G HN 0.609 nan 8.290 nan 0.000 0.492 672 K N -0.194 119.862 120.400 -0.575 0.000 2.346 672 K HA 0.515 4.831 4.320 -0.006 0.000 0.238 672 K C -0.605 175.859 176.600 -0.228 0.000 1.039 672 K CA -1.088 55.014 56.287 -0.309 0.000 0.861 672 K CB 0.914 33.280 32.500 -0.224 0.000 1.278 672 K HN 0.097 nan 8.250 nan 0.000 0.460 673 D N 1.867 122.180 120.400 -0.144 0.000 2.346 673 D HA 0.141 4.777 4.640 -0.006 0.000 0.260 673 D C -0.505 175.742 176.300 -0.090 0.000 1.252 673 D CA 0.175 54.114 54.000 -0.101 0.000 0.895 673 D CB -0.048 40.700 40.800 -0.087 0.000 1.097 673 D HN 0.273 nan 8.370 nan 0.000 0.489 674 L N 2.858 124.034 121.223 -0.078 0.000 2.332 674 L HA 0.635 4.971 4.340 -0.006 0.000 0.269 674 L C -0.155 176.678 176.870 -0.061 0.000 1.016 674 L CA -1.190 53.614 54.840 -0.059 0.000 0.809 674 L CB 2.071 44.097 42.059 -0.055 0.000 1.280 674 L HN 0.134 nan 8.230 nan 0.000 0.447 675 V N 0.994 120.869 119.914 -0.066 0.000 2.711 675 V HA 0.760 4.876 4.120 -0.006 0.000 0.304 675 V C -0.749 175.188 176.094 -0.261 0.000 1.097 675 V CA -0.284 61.896 62.300 -0.200 0.000 0.906 675 V CB 1.809 33.461 31.823 -0.285 0.000 1.015 675 V HN 0.845 nan 8.190 nan 0.000 0.427 676 A N 5.921 128.556 122.820 -0.308 0.000 2.304 676 A HA 0.854 5.170 4.320 -0.006 0.000 0.301 676 A C -1.350 175.983 177.584 -0.419 0.000 1.132 676 A CA -0.442 51.471 52.037 -0.206 0.000 0.819 676 A CB 0.713 19.637 19.000 -0.126 0.000 1.094 676 A HN 0.986 nan 8.150 nan 0.000 0.492 677 W N 1.883 123.163 121.300 -0.033 0.000 2.463 677 W HA 0.517 5.174 4.660 -0.006 0.000 0.316 677 W C -0.926 175.494 176.519 -0.164 0.000 1.004 677 W CA -0.513 56.729 57.345 -0.171 0.000 1.309 677 W CB 1.702 31.168 29.460 0.011 0.000 1.288 677 W HN 0.419 nan 8.180 nan 0.000 0.423 678 V N 3.124 122.947 119.914 -0.151 0.000 2.435 678 V HA 0.540 4.657 4.120 -0.006 0.000 0.290 678 V C 0.155 176.339 176.094 0.150 0.000 1.030 678 V CA -0.580 61.654 62.300 -0.110 0.000 0.881 678 V CB 1.505 32.937 31.823 -0.653 0.000 0.983 678 V HN 0.434 nan 8.190 nan 0.000 0.445 679 T N 4.122 118.876 114.554 0.333 0.000 2.824 679 T HA 0.776 5.122 4.350 -0.006 0.000 0.280 679 T C -0.090 174.847 174.700 0.394 0.000 0.995 679 T CA -0.255 62.130 62.100 0.474 0.000 1.009 679 T CB 1.587 70.772 68.868 0.528 0.000 0.955 679 T HN 1.005 nan 8.240 nan 0.000 0.452 680 A N 1.773 124.879 122.820 0.477 0.000 2.486 680 A HA 1.003 5.319 4.320 -0.006 0.000 0.300 680 A C -0.046 177.843 177.584 0.509 0.000 1.048 680 A CA -0.398 51.909 52.037 0.450 0.000 0.696 680 A CB 1.863 21.158 19.000 0.492 0.000 1.278 680 A HN 1.170 nan 8.150 nan 0.000 0.405 681 G N -0.423 108.622 108.800 0.410 0.000 2.427 681 G HA2 0.812 4.768 3.960 -0.006 0.000 0.306 681 G HA3 0.812 4.768 3.960 -0.006 0.000 0.306 681 G C -1.184 173.961 174.900 0.410 0.000 1.280 681 G CA 0.222 45.565 45.100 0.404 0.000 0.837 681 G HN 2.086 nan 8.290 nan 0.000 0.482 682 F N -2.229 117.794 119.950 0.123 0.000 2.799 682 F HA 0.724 5.247 4.527 -0.006 0.000 0.316 682 F C -1.712 174.118 175.800 0.050 0.000 1.155 682 F CA -1.390 56.640 58.000 0.051 0.000 0.916 682 F CB 1.260 40.253 39.000 -0.011 0.000 1.294 682 F HN 0.706 nan 8.300 nan 0.000 0.447 683 L N 2.401 123.711 121.223 0.145 0.000 2.312 683 L HA 0.520 4.856 4.340 -0.006 0.000 0.281 683 L C -1.036 175.926 176.870 0.155 0.000 1.070 683 L CA 0.016 54.866 54.840 0.017 0.000 0.805 683 L CB 0.951 43.022 42.059 0.021 0.000 1.174 683 L HN 0.845 nan 8.230 nan 0.000 0.434 684 H N 5.544 124.490 119.070 -0.206 0.000 2.800 684 H HA 0.461 5.013 4.556 -0.006 0.000 0.322 684 H C -1.119 174.077 175.328 -0.221 0.000 0.979 684 H CA -0.932 55.023 56.048 -0.156 0.000 1.277 684 H CB 1.081 30.697 29.762 -0.244 0.000 1.484 684 H HN 0.660 nan 8.280 nan 0.000 0.512 685 I N 8.144 128.809 120.570 0.157 0.000 2.306 685 I HA 0.217 4.383 4.170 -0.006 0.000 0.288 685 I C -2.265 173.944 176.117 0.153 0.000 1.036 685 I CA -2.023 59.314 61.300 0.061 0.000 1.221 685 I CB 1.226 39.277 38.000 0.085 0.000 1.385 685 I HN 0.435 nan 8.210 nan 0.000 0.472 686 P HA 0.096 nan 4.420 nan 0.000 0.269 686 P C -0.940 176.418 177.300 0.096 0.000 1.215 686 P CA 0.353 63.394 63.100 -0.099 0.000 0.780 686 P CB 0.472 32.069 31.700 -0.172 0.000 0.898 687 H N -1.003 118.109 119.070 0.071 0.000 2.990 687 H HA 0.478 5.030 4.556 -0.006 0.000 0.343 687 H C 0.590 175.945 175.328 0.045 0.000 1.270 687 H CA -0.872 55.206 56.048 0.049 0.000 1.118 687 H CB 0.510 30.303 29.762 0.051 0.000 1.861 687 H HN 0.345 nan 8.280 nan 0.000 0.544 688 A N 0.659 123.560 122.820 0.135 0.000 1.958 688 A HA -0.254 4.063 4.320 -0.006 0.000 0.221 688 A C 1.639 179.242 177.584 0.031 0.000 1.178 688 A CA 2.274 54.349 52.037 0.064 0.000 0.642 688 A CB -0.843 18.203 19.000 0.076 0.000 0.816 688 A HN 0.748 nan 8.150 nan 0.000 0.453 689 E N 0.446 120.698 120.200 0.087 0.000 2.516 689 E HA -0.042 4.304 4.350 -0.006 0.000 0.199 689 E C 0.611 177.169 176.600 -0.070 0.000 1.069 689 E CA 0.660 57.092 56.400 0.054 0.000 0.876 689 E CB -0.053 29.754 29.700 0.178 0.000 0.843 689 E HN 0.555 nan 8.360 nan 0.000 0.530 690 D N 0.052 120.334 120.400 -0.197 0.000 2.349 690 D HA -0.019 4.618 4.640 -0.006 0.000 0.224 690 D C -0.028 176.217 176.300 -0.092 0.000 1.029 690 D CA 0.419 54.327 54.000 -0.153 0.000 0.879 690 D CB 0.417 41.122 40.800 -0.159 0.000 0.906 690 D HN 0.130 nan 8.370 nan 0.000 0.528 691 I N 2.386 122.918 120.570 -0.063 0.000 2.362 691 I HA 0.130 4.296 4.170 -0.006 0.000 0.289 691 I C -1.295 174.802 176.117 -0.033 0.000 0.994 691 I CA -2.143 59.135 61.300 -0.036 0.000 1.158 691 I CB 1.598 39.594 38.000 -0.007 0.000 1.315 691 I HN -0.262 nan 8.210 nan 0.000 0.451 692 P HA 0.025 nan 4.420 nan 0.000 0.217 692 P C 0.124 177.228 177.300 -0.327 0.000 1.154 692 P CA 0.919 63.955 63.100 -0.107 0.000 0.841 692 P CB 0.801 32.443 31.700 -0.097 0.000 0.790 693 N N -1.064 117.450 118.700 -0.309 0.000 2.402 693 N HA 0.266 5.002 4.740 -0.006 0.000 0.294 693 N C -0.683 174.719 175.510 -0.180 0.000 1.203 693 N CA -0.534 52.311 53.050 -0.341 0.000 0.838 693 N CB 1.483 39.752 38.487 -0.364 0.000 1.306 693 N HN -0.221 nan 8.380 nan 0.000 0.510 694 T N 1.058 115.529 114.554 -0.138 0.000 2.851 694 T HA 0.162 4.508 4.350 -0.006 0.000 0.298 694 T C 0.505 175.141 174.700 -0.107 0.000 0.977 694 T CA -0.570 61.481 62.100 -0.082 0.000 1.126 694 T CB 0.437 69.302 68.868 -0.004 0.000 0.916 694 T HN 0.299 nan 8.240 nan 0.000 0.529 695 V N 1.971 121.828 119.914 -0.096 0.000 2.834 695 V HA 0.399 4.515 4.120 -0.006 0.000 0.301 695 V C 1.407 177.437 176.094 -0.107 0.000 1.066 695 V CA -0.253 61.988 62.300 -0.098 0.000 1.052 695 V CB 0.803 32.581 31.823 -0.074 0.000 1.021 695 V HN 0.977 nan 8.190 nan 0.000 0.480 696 T N -0.137 114.348 114.554 -0.115 0.000 3.085 696 T HA 0.054 4.400 4.350 -0.006 0.000 0.263 696 T C 0.667 175.335 174.700 -0.053 0.000 1.127 696 T CA 0.404 62.449 62.100 -0.092 0.000 1.103 696 T CB -0.481 68.253 68.868 -0.223 0.000 0.921 696 T HN 0.623 nan 8.240 nan 0.000 0.510 697 V N 2.680 122.547 119.914 -0.079 0.000 2.452 697 V HA 0.381 4.497 4.120 -0.006 0.000 0.286 697 V C 1.794 177.834 176.094 -0.090 0.000 0.995 697 V CA 1.032 63.292 62.300 -0.066 0.000 1.116 697 V CB -0.746 31.041 31.823 -0.061 0.000 0.954 697 V HN 0.847 nan 8.190 nan 0.000 0.473 698 G N 4.809 113.557 108.800 -0.086 0.000 2.212 698 G HA2 -0.301 3.656 3.960 -0.006 0.000 0.266 698 G HA3 -0.301 3.656 3.960 -0.006 0.000 0.266 698 G C 0.711 175.443 174.900 -0.280 0.000 0.978 698 G CA 0.430 45.441 45.100 -0.148 0.000 0.632 698 G HN 0.643 nan 8.290 nan 0.000 0.537 699 N N 1.348 119.854 118.700 -0.325 0.000 2.322 699 N HA 0.202 4.938 4.740 -0.006 0.000 0.194 699 N C 1.322 176.422 175.510 -0.685 0.000 1.126 699 N CA 0.815 53.483 53.050 -0.636 0.000 0.845 699 N CB 0.209 38.352 38.487 -0.573 0.000 0.976 699 N HN 0.647 nan 8.380 nan 0.000 0.475 700 G N 0.318 108.801 108.800 -0.529 0.000 2.406 700 G HA2 0.393 4.349 3.960 -0.006 0.000 0.251 700 G HA3 0.393 4.349 3.960 -0.006 0.000 0.251 700 G C -0.478 174.003 174.900 -0.699 0.000 1.271 700 G CA 0.019 44.538 45.100 -0.968 0.000 0.859 700 G HN 0.003 nan 8.290 nan 0.000 0.540 701 V N 1.408 120.896 119.914 -0.710 0.000 2.932 701 V HA 0.939 5.055 4.120 -0.006 0.000 0.307 701 V C 0.506 176.454 176.094 -0.243 0.000 1.147 701 V CA 0.726 62.799 62.300 -0.378 0.000 0.951 701 V CB 1.905 33.574 31.823 -0.256 0.000 1.031 701 V HN 1.563 nan 8.190 nan 0.000 0.426 702 G N 3.628 112.363 108.800 -0.109 0.000 2.455 702 G HA2 0.499 4.455 3.960 -0.006 0.000 0.223 702 G HA3 0.499 4.455 3.960 -0.006 0.000 0.223 702 G C -1.542 173.341 174.900 -0.029 0.000 1.226 702 G CA 0.189 45.223 45.100 -0.110 0.000 0.948 702 G HN 1.576 nan 8.290 nan 0.000 0.478 703 F N -2.002 117.727 119.950 -0.368 0.000 2.713 703 F HA 0.852 5.375 4.527 -0.007 0.000 0.311 703 F C -1.692 173.854 175.800 -0.422 0.000 1.141 703 F CA -1.779 56.057 58.000 -0.274 0.000 0.939 703 F CB 1.077 39.975 39.000 -0.170 0.000 1.325 703 F HN 0.461 nan 8.300 nan 0.000 0.453 704 F N 1.568 121.511 119.950 -0.013 0.000 2.483 704 F HA 0.747 5.270 4.527 -0.006 0.000 0.329 704 F C -0.457 175.378 175.800 0.059 0.000 1.064 704 F CA -0.973 56.973 58.000 -0.089 0.000 0.986 704 F CB 1.999 40.929 39.000 -0.116 0.000 1.218 704 F HN 0.359 nan 8.300 nan 0.000 0.484 705 L N 3.783 125.151 121.223 0.241 0.000 2.345 705 L HA 0.547 4.883 4.340 -0.006 0.000 0.274 705 L C -0.664 176.401 176.870 0.325 0.000 0.999 705 L CA -0.586 54.421 54.840 0.279 0.000 0.849 705 L CB 1.268 43.451 42.059 0.207 0.000 1.220 705 L HN 0.552 nan 8.230 nan 0.000 0.422 706 R N 3.619 124.227 120.500 0.181 0.000 2.637 706 R HA 0.513 4.849 4.340 -0.006 0.000 0.291 706 R C -2.667 173.349 176.300 -0.472 0.000 0.963 706 R CA -1.991 54.077 56.100 -0.054 0.000 0.901 706 R CB 2.266 32.507 30.300 -0.098 0.000 1.160 706 R HN 0.223 nan 8.270 nan 0.000 0.457 707 P HA -0.018 nan 4.420 nan 0.000 0.271 707 P C -1.307 175.828 177.300 -0.274 0.000 1.220 707 P CA 0.066 62.577 63.100 -0.981 0.000 0.768 707 P CB 0.392 31.823 31.700 -0.449 0.000 0.848 708 Y N 4.238 124.337 120.300 -0.334 0.000 2.526 708 Y HA 0.241 4.789 4.550 -0.004 0.000 0.328 708 Y C 0.337 176.143 175.900 -0.157 0.000 0.995 708 Y CA -0.491 57.467 58.100 -0.236 0.000 1.304 708 Y CB 0.006 38.251 38.460 -0.358 0.000 1.096 708 Y HN 0.392 nan 8.280 nan 0.000 0.499 709 N N 3.549 122.059 118.700 -0.316 0.000 2.747 709 N HA -0.315 4.421 4.740 -0.006 0.000 0.249 709 N C 0.508 176.000 175.510 -0.030 0.000 1.107 709 N CA 1.449 54.379 53.050 -0.200 0.000 0.707 709 N CB -1.700 36.574 38.487 -0.354 0.000 1.054 709 N HN 0.727 nan 8.380 nan 0.000 0.555 710 F N 0.086 119.921 119.950 -0.192 0.000 2.219 710 F HA 0.219 4.743 4.527 -0.005 0.000 0.294 710 F C 0.877 176.465 175.800 -0.353 0.000 1.086 710 F CA 0.754 58.579 58.000 -0.291 0.000 1.330 710 F CB 0.148 38.840 39.000 -0.513 0.000 1.047 710 F HN -0.003 nan 8.300 nan 0.000 0.495 711 F N 0.456 120.473 119.950 0.112 0.000 2.410 711 F HA 0.233 4.756 4.527 -0.007 0.000 0.324 711 F C 1.460 177.270 175.800 0.018 0.000 1.093 711 F CA -0.787 57.234 58.000 0.036 0.000 1.028 711 F CB 0.220 39.309 39.000 0.147 0.000 1.309 711 F HN -0.270 nan 8.300 nan 0.000 0.499 712 D N -0.451 120.091 120.400 0.236 0.000 2.305 712 D HA 0.034 4.671 4.640 -0.006 0.000 0.206 712 D C -0.032 176.483 176.300 0.359 0.000 0.974 712 D CA 0.777 54.880 54.000 0.172 0.000 0.871 712 D CB 0.159 40.949 40.800 -0.017 0.000 0.947 712 D HN 0.689 nan 8.370 nan 0.000 0.516 713 E N -0.427 119.946 120.200 0.289 0.000 2.416 713 E HA 0.168 4.514 4.350 -0.006 0.000 0.280 713 E C -1.388 175.291 176.600 0.132 0.000 1.055 713 E CA -0.896 55.619 56.400 0.191 0.000 0.825 713 E CB 0.893 30.665 29.700 0.119 0.000 1.312 713 E HN -0.309 nan 8.360 nan 0.000 0.452 714 D N 1.556 121.992 120.400 0.061 0.000 2.520 714 D HA 0.026 4.662 4.640 -0.006 0.000 0.243 714 D C -1.464 174.860 176.300 0.041 0.000 1.160 714 D CA -1.579 52.429 54.000 0.014 0.000 0.877 714 D CB 1.076 41.889 40.800 0.021 0.000 1.150 714 D HN 0.161 nan 8.370 nan 0.000 0.494 715 P HA -0.077 nan 4.420 nan 0.000 0.229 715 P C 1.099 178.506 177.300 0.178 0.000 1.160 715 P CA 0.655 63.769 63.100 0.023 0.000 0.777 715 P CB -0.020 31.578 31.700 -0.169 0.000 0.814 716 S N -1.481 114.294 115.700 0.125 0.000 2.555 716 S HA -0.135 4.331 4.470 -0.006 0.000 0.230 716 S C 1.726 176.398 174.600 0.121 0.000 0.978 716 S CA 0.064 58.342 58.200 0.130 0.000 0.934 716 S CB -1.553 61.711 63.200 0.107 0.000 0.766 716 S HN -0.006 nan 8.310 nan 0.000 0.533 717 F N 2.358 122.287 119.950 -0.035 0.000 2.126 717 F HA -0.031 4.494 4.527 -0.003 0.000 0.299 717 F C 1.347 177.004 175.800 -0.239 0.000 1.096 717 F CA 0.943 58.833 58.000 -0.183 0.000 1.255 717 F CB -0.673 38.133 39.000 -0.324 0.000 0.997 717 F HN 0.230 nan 8.300 nan 0.000 0.479 718 Y N 0.271 120.492 120.300 -0.132 0.000 2.477 718 Y HA 0.166 4.712 4.550 -0.007 0.000 0.303 718 Y C 1.443 177.259 175.900 -0.139 0.000 1.202 718 Y CA 0.324 58.294 58.100 -0.216 0.000 1.282 718 Y CB -0.967 37.456 38.460 -0.062 0.000 1.071 718 Y HN -0.050 nan 8.280 nan 0.000 0.510 719 S N 0.586 116.287 115.700 0.002 0.000 2.549 719 S HA 0.238 4.704 4.470 -0.006 0.000 0.286 719 S C 1.502 176.101 174.600 -0.003 0.000 1.314 719 S CA 0.084 58.299 58.200 0.025 0.000 1.062 719 S CB 0.868 64.094 63.200 0.043 0.000 0.865 719 S HN 0.469 nan 8.310 nan 0.000 0.498 720 A N 3.642 126.472 122.820 0.016 0.000 2.216 720 A HA 0.056 4.372 4.320 -0.006 0.000 0.214 720 A C 1.030 178.630 177.584 0.025 0.000 1.160 720 A CA 1.022 53.068 52.037 0.014 0.000 0.725 720 A CB -0.178 18.833 19.000 0.019 0.000 0.784 720 A HN 0.839 nan 8.150 nan 0.000 0.472 721 D N -0.453 119.969 120.400 0.036 0.000 2.479 721 D HA 0.092 4.729 4.640 -0.006 0.000 0.218 721 D C 0.294 176.634 176.300 0.066 0.000 1.177 721 D CA 0.415 54.445 54.000 0.051 0.000 0.830 721 D CB 0.241 41.074 40.800 0.055 0.000 1.014 721 D HN 0.429 nan 8.370 nan 0.000 0.503 722 S N 0.764 116.495 115.700 0.053 0.000 2.549 722 S HA 0.287 4.753 4.470 -0.006 0.000 0.279 722 S C 0.331 175.008 174.600 0.128 0.000 1.321 722 S CA -0.503 57.743 58.200 0.076 0.000 1.054 722 S CB 1.229 64.442 63.200 0.023 0.000 0.899 722 S HN -0.047 nan 8.310 nan 0.000 0.497 723 I N 2.913 123.604 120.570 0.200 0.000 2.437 723 I HA 0.488 4.655 4.170 -0.006 0.000 0.298 723 I C -0.491 175.849 176.117 0.371 0.000 0.984 723 I CA -0.689 60.785 61.300 0.290 0.000 1.214 723 I CB 1.190 39.394 38.000 0.340 0.000 1.365 723 I HN 0.931 nan 8.210 nan 0.000 0.469 724 Y N 7.456 127.909 120.300 0.255 0.000 2.480 724 Y HA 0.619 5.166 4.550 -0.005 0.000 0.329 724 Y C -1.752 174.333 175.900 0.309 0.000 1.127 724 Y CA -1.381 56.821 58.100 0.170 0.000 1.037 724 Y CB 1.740 40.254 38.460 0.089 0.000 1.320 724 Y HN 0.434 nan 8.280 nan 0.000 0.446 725 F N 2.794 122.294 119.950 -0.750 0.000 2.672 725 F HA 0.688 5.212 4.527 -0.005 0.000 0.311 725 F C -1.481 174.000 175.800 -0.532 0.000 1.113 725 F CA -1.453 56.202 58.000 -0.574 0.000 0.996 725 F CB 1.138 40.033 39.000 -0.174 0.000 1.286 725 F HN 0.450 nan 8.300 nan 0.000 0.441 726 R N 0.604 121.041 120.500 -0.106 0.000 2.577 726 R HA 0.474 4.810 4.340 -0.006 0.000 0.269 726 R C 1.223 177.629 176.300 0.177 0.000 1.084 726 R CA -0.147 55.980 56.100 0.045 0.000 1.163 726 R CB 1.059 31.426 30.300 0.112 0.000 1.100 726 R HN 1.079 nan 8.270 nan 0.000 0.547 727 G N 0.732 109.634 108.800 0.171 0.000 2.443 727 G HA2 -0.272 3.684 3.960 -0.006 0.000 0.219 727 G HA3 -0.272 3.684 3.960 -0.006 0.000 0.219 727 G C 0.767 175.752 174.900 0.141 0.000 1.131 727 G CA 1.099 46.307 45.100 0.179 0.000 0.775 727 G HN 0.819 nan 8.290 nan 0.000 0.547 728 D N -0.572 119.899 120.400 0.119 0.000 2.323 728 D HA 0.028 4.665 4.640 -0.006 0.000 0.209 728 D C 1.434 177.774 176.300 0.067 0.000 0.973 728 D CA 0.193 54.242 54.000 0.081 0.000 0.874 728 D CB -0.064 40.776 40.800 0.066 0.000 0.930 728 D HN 0.363 nan 8.370 nan 0.000 0.521 729 Q N -0.034 119.815 119.800 0.082 0.000 2.407 729 Q HA 0.174 4.510 4.340 -0.006 0.000 0.214 729 Q C -0.639 175.366 176.000 0.009 0.000 1.043 729 Q CA -0.474 55.363 55.803 0.057 0.000 0.983 729 Q CB 0.607 29.396 28.738 0.085 0.000 1.211 729 Q HN 0.083 nan 8.270 nan 0.000 0.564 730 D N -0.595 119.787 120.400 -0.029 0.000 2.396 730 D HA 0.264 4.900 4.640 -0.006 0.000 0.225 730 D C -0.099 176.090 176.300 -0.185 0.000 1.121 730 D CA -0.184 53.767 54.000 -0.083 0.000 0.853 730 D CB 1.242 42.009 40.800 -0.054 0.000 1.043 730 D HN 0.576 nan 8.370 nan 0.000 0.500 731 A N 2.998 125.627 122.820 -0.319 0.000 2.014 731 A HA 0.071 4.387 4.320 -0.006 0.000 0.218 731 A C 1.914 179.265 177.584 -0.388 0.000 1.163 731 A CA 1.282 52.945 52.037 -0.623 0.000 0.652 731 A CB -0.258 18.193 19.000 -0.915 0.000 0.808 731 A HN 0.591 nan 8.150 nan 0.000 0.449 732 G N -0.700 107.961 108.800 -0.233 0.000 2.623 732 G HA2 0.323 4.279 3.960 -0.006 0.000 0.214 732 G HA3 0.323 4.279 3.960 -0.006 0.000 0.214 732 G C 0.736 175.572 174.900 -0.108 0.000 1.138 732 G CA 0.531 45.540 45.100 -0.152 0.000 0.794 732 G HN 0.769 nan 8.290 nan 0.000 0.535 733 A N 0.174 122.932 122.820 -0.103 0.000 2.473 733 A HA 0.320 4.636 4.320 -0.006 0.000 0.282 733 A C 1.701 179.254 177.584 -0.052 0.000 1.163 733 A CA 0.236 52.236 52.037 -0.062 0.000 0.827 733 A CB -0.459 18.514 19.000 -0.045 0.000 1.098 733 A HN 0.420 nan 8.150 nan 0.000 0.515 734 c N 2.961 121.539 118.600 -0.037 0.000 2.385 734 c HA -0.187 4.379 4.570 -0.006 0.000 0.275 734 c C 2.692 176.779 174.090 -0.005 0.000 1.207 734 c CA 1.936 58.252 56.329 -0.021 0.000 1.760 734 c CB -0.944 41.558 42.510 -0.013 0.000 2.051 734 c HN 0.903 nan 8.230 nan 0.000 0.467 735 E N 0.449 120.650 120.200 0.000 0.000 2.204 735 E HA -0.137 4.210 4.350 -0.006 0.000 0.195 735 E C 2.175 178.791 176.600 0.026 0.000 0.990 735 E CA 1.663 58.072 56.400 0.014 0.000 0.821 735 E CB -0.988 28.720 29.700 0.014 0.000 0.750 735 E HN 0.572 nan 8.360 nan 0.000 0.477 736 V N 1.370 121.293 119.914 0.016 0.000 2.302 736 V HA -0.092 4.024 4.120 -0.006 0.000 0.243 736 V C 0.894 177.021 176.094 0.055 0.000 1.036 736 V CA 1.592 63.915 62.300 0.038 0.000 1.020 736 V CB -0.451 31.377 31.823 0.007 0.000 0.657 736 V HN 0.282 nan 8.190 nan 0.000 0.453 737 N N -0.457 118.245 118.700 0.003 0.000 2.531 737 N HA 0.297 5.033 4.740 -0.006 0.000 0.268 737 N C -2.161 173.354 175.510 0.009 0.000 1.023 737 N CA -2.026 51.032 53.050 0.014 0.000 0.896 737 N CB 2.059 40.472 38.487 -0.122 0.000 1.233 737 N HN -0.092 nan 8.380 nan 0.000 0.512 738 P HA -0.127 nan 4.420 nan 0.000 0.217 738 P C 1.371 178.681 177.300 0.017 0.000 1.148 738 P CA 1.075 64.194 63.100 0.031 0.000 0.828 738 P CB 0.321 32.050 31.700 0.049 0.000 0.783 739 L N -1.372 119.862 121.223 0.019 0.000 2.187 739 L HA -0.208 4.128 4.340 -0.006 0.000 0.213 739 L C 2.385 179.241 176.870 -0.023 0.000 1.100 739 L CA 1.369 56.210 54.840 0.001 0.000 0.765 739 L CB -1.054 41.008 42.059 0.005 0.000 0.904 739 L HN -0.010 nan 8.230 nan 0.000 0.437 740 A N -0.565 122.231 122.820 -0.041 0.000 1.972 740 A HA -0.205 4.111 4.320 -0.006 0.000 0.219 740 A C 2.199 179.767 177.584 -0.026 0.000 1.169 740 A CA 1.755 53.762 52.037 -0.050 0.000 0.635 740 A CB -0.896 18.062 19.000 -0.070 0.000 0.810 740 A HN 0.625 nan 8.150 nan 0.000 0.446 741 c N -1.062 117.530 118.600 -0.014 0.000 2.626 741 c HA 0.264 4.830 4.570 -0.006 0.000 0.266 741 c C 2.189 176.281 174.090 0.003 0.000 1.317 741 c CA 0.116 56.443 56.329 -0.003 0.000 1.716 741 c CB -1.634 40.878 42.510 0.003 0.000 1.819 741 c HN 0.563 nan 8.230 nan 0.000 0.578 742 L N 2.720 123.943 121.223 0.000 0.000 2.012 742 L HA -0.045 4.291 4.340 -0.006 0.000 0.210 742 L C -0.528 176.351 176.870 0.014 0.000 1.073 742 L CA 2.401 57.244 54.840 0.004 0.000 0.748 742 L CB -1.525 40.532 42.059 -0.003 0.000 0.891 742 L HN 0.110 nan 8.230 nan 0.000 0.431 743 P HA -0.151 nan 4.420 nan 0.000 0.220 743 P C 1.621 178.937 177.300 0.027 0.000 1.148 743 P CA 2.013 65.125 63.100 0.021 0.000 0.803 743 P CB -0.197 31.509 31.700 0.009 0.000 0.782 744 Q N 0.110 119.922 119.800 0.020 0.000 1.969 744 Q HA -0.039 4.297 4.340 -0.006 0.000 0.198 744 Q C 2.404 178.425 176.000 0.036 0.000 0.978 744 Q CA 1.975 57.792 55.803 0.024 0.000 0.830 744 Q CB -1.905 26.843 28.738 0.016 0.000 0.896 744 Q HN 0.215 nan 8.270 nan 0.000 0.431 745 A N 0.841 123.680 122.820 0.032 0.000 1.954 745 A HA 0.085 4.401 4.320 -0.006 0.000 0.222 745 A C 2.327 179.949 177.584 0.064 0.000 1.199 745 A CA 2.697 54.757 52.037 0.038 0.000 0.657 745 A CB -0.752 18.261 19.000 0.022 0.000 0.823 745 A HN 1.437 nan 8.150 nan 0.000 0.463 746 A N -1.525 121.340 122.820 0.075 0.000 2.610 746 A HA 0.638 4.955 4.320 -0.006 0.000 0.286 746 A C 0.890 178.567 177.584 0.156 0.000 1.306 746 A CA 0.580 52.704 52.037 0.145 0.000 0.942 746 A CB -0.525 nan 19.000 nan 0.000 1.112 746 A HN 1.099 nan 8.150 nan 0.000 0.527 747 A N 0.695 123.574 122.820 0.099 0.000 3.078 747 A HA 0.512 4.828 4.320 -0.006 0.000 0.279 747 A C 0.221 177.846 177.584 0.068 0.000 1.594 747 A CA 0.211 52.291 52.037 0.072 0.000 1.301 747 A CB -1.560 17.467 19.000 0.046 0.000 1.162 747 A HN 1.335 nan 8.150 nan 0.000 0.585 748 c N -1.042 117.608 118.600 0.083 0.000 3.241 748 c HA 0.821 5.388 4.570 -0.006 0.000 0.348 748 c C 0.061 174.147 174.090 -0.007 0.000 1.180 748 c CA -0.470 55.890 56.329 0.052 0.000 1.273 748 c CB 0.802 43.362 42.510 0.084 0.000 1.620 748 c HN 1.276 nan 8.230 nan 0.000 0.510 749 A N 2.989 125.780 122.820 -0.047 0.000 2.363 749 A HA 0.802 5.118 4.320 -0.006 0.000 0.270 749 A C -2.503 174.999 177.584 -0.136 0.000 1.121 749 A CA -0.950 51.013 52.037 -0.123 0.000 0.800 749 A CB -0.224 18.724 19.000 -0.087 0.000 1.052 749 A HN 0.780 nan 8.150 nan 0.000 0.493 750 P HA 0.363 nan 4.420 nan 0.000 0.275 750 P C -0.295 176.957 177.300 -0.079 0.000 1.227 750 P CA 0.213 63.201 63.100 -0.187 0.000 0.781 750 P CB 0.524 31.992 31.700 -0.388 0.000 0.906 751 D N 4.216 124.616 120.400 -0.001 0.000 2.483 751 D HA 0.254 4.890 4.640 -0.006 0.000 0.220 751 D C 0.268 176.591 176.300 0.039 0.000 1.173 751 D CA -0.441 53.567 54.000 0.014 0.000 0.964 751 D CB -0.547 40.271 40.800 0.030 0.000 1.046 751 D HN 0.314 nan 8.370 nan 0.000 0.517 752 L N 1.936 123.167 121.223 0.014 0.000 2.360 752 L HA 0.339 4.676 4.340 -0.006 0.000 0.276 752 L C -1.686 175.264 176.870 0.134 0.000 1.121 752 L CA -1.501 53.373 54.840 0.058 0.000 0.845 752 L CB 0.983 42.977 42.059 -0.108 0.000 1.143 752 L HN 0.368 nan 8.230 nan 0.000 0.452 753 P HA 0.076 nan 4.420 nan 0.000 0.268 753 P C -0.413 177.042 177.300 0.259 0.000 1.208 753 P CA -0.311 62.910 63.100 0.202 0.000 0.777 753 P CB 0.589 32.395 31.700 0.176 0.000 0.875 754 A N 2.741 125.659 122.820 0.163 0.000 2.511 754 A HA 0.133 4.449 4.320 -0.006 0.000 0.242 754 A C -0.055 177.645 177.584 0.194 0.000 1.069 754 A CA -0.245 51.898 52.037 0.177 0.000 0.763 754 A CB -0.683 18.379 19.000 0.105 0.000 1.001 754 A HN 0.546 nan 8.150 nan 0.000 0.498 755 F N 3.733 123.768 119.950 0.141 0.000 2.571 755 F HA 0.348 4.872 4.527 -0.006 0.000 0.384 755 F C 0.836 176.637 175.800 0.003 0.000 1.058 755 F CA 1.019 59.055 58.000 0.059 0.000 1.200 755 F CB 0.403 39.467 39.000 0.106 0.000 1.077 755 F HN 0.553 nan 8.300 nan 0.000 0.558 756 S N 6.322 121.558 115.700 -0.773 0.000 2.568 756 S HA 0.409 4.875 4.470 -0.006 0.000 0.302 756 S C -1.261 172.752 174.600 -0.979 0.000 1.082 756 S CA -0.665 57.146 58.200 -0.648 0.000 1.009 756 S CB 1.131 64.119 63.200 -0.352 0.000 1.069 756 S HN 0.868 nan 8.310 nan 0.000 0.500 757 H N 1.184 119.899 119.070 -0.592 0.000 2.572 757 H HA 0.414 4.967 4.556 -0.006 0.000 0.359 757 H C 1.012 176.200 175.328 -0.232 0.000 1.134 757 H CA -0.295 55.515 56.048 -0.397 0.000 1.187 757 H CB 1.770 31.449 29.762 -0.140 0.000 1.597 757 H HN 0.876 nan 8.280 nan 0.000 0.524 758 G N 2.203 110.451 108.800 -0.921 0.000 2.848 758 G HA2 0.275 4.231 3.960 -0.006 0.000 0.208 758 G HA3 0.275 4.231 3.960 -0.006 0.000 0.208 758 G C 0.739 175.327 174.900 -0.520 0.000 1.152 758 G CA 0.503 45.248 45.100 -0.591 0.000 0.789 758 G HN 1.031 nan 8.290 nan 0.000 0.531 759 G N -0.967 107.460 108.800 -0.621 0.000 2.750 759 G HA2 -0.114 3.843 3.960 -0.006 0.000 0.228 759 G HA3 -0.114 3.843 3.960 -0.006 0.000 0.228 759 G C -0.213 174.480 174.900 -0.344 0.000 1.367 759 G CA -0.226 44.781 45.100 -0.155 0.000 0.871 759 G HN 0.353 nan 8.290 nan 0.000 0.560 760 F N -0.616 119.368 119.950 0.057 0.000 2.846 760 F HA 0.771 5.295 4.527 -0.006 0.000 0.388 760 F C 1.106 176.931 175.800 0.042 0.000 1.259 760 F CA -0.278 57.762 58.000 0.066 0.000 1.118 760 F CB 1.024 40.079 39.000 0.092 0.000 1.512 760 F HN 0.602 nan 8.300 nan 0.000 0.502 761 S N 0.000 115.854 115.700 0.256 0.000 2.498 761 S HA 0.000 4.466 4.470 -0.006 0.000 0.327 761 S CA 0.000 58.274 58.200 0.124 0.000 1.107 761 S CB 0.000 63.246 63.200 0.076 0.000 0.593 761 S HN 0.000 nan 8.310 nan 0.000 0.517