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 3agj_1_F DATA FIRST_RESID 0 DATA SEQUENCE HMRVEVLDNK RRIVRLRPES EEDLWLLRIT LRPGDVVRKR TSRDVPVGSG DATA SEQUENCE RKERVVMTLR IRLDSIEFQP FTGKLRISGI VVEGPDEFGV KGRRHSTAVS DATA SEQUENCE IGTWLVVERD KGWSEQELER LAAGRARGTA VIAAVDYDEF ALAVLAGHGM DATA SEQUENCE KILEDTSARL PGKDDPSREQ EVEKYVDRAA KRIVEEAARH RSPIAVIAGP DATA SEQUENCE GQLKTSVAEK VQRAMPSLKV ATVDTSMGGV AGVREALRRE SVTRILRELS DATA SEQUENCE IVEAEGVLEE FLRRIAKSRD TVAYTPGEVL AVARMGAVDT VLLVDTLLHS DATA SEQUENCE PDDAVREAVD EALRLVESMG GRVIIIPGDS PAGERLVSFG GVIALLRYPV DATA SEQUENCE PQEAR 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.297 175.328 -0.052 0.000 0.993 0 H CA 0.000 56.029 56.048 -0.031 0.000 1.023 0 H CB 0.000 29.747 29.762 -0.026 0.000 1.292 1 M N 1.818 121.255 119.600 -0.272 0.000 2.238 1 M HA 0.623 5.101 4.480 -0.003 0.000 0.350 1 M C 0.059 176.179 176.300 -0.301 0.000 1.138 1 M CA -0.629 54.489 55.300 -0.304 0.000 1.040 1 M CB 1.079 33.585 32.600 -0.157 0.000 1.639 1 M HN 0.957 nan 8.290 nan 0.000 0.451 2 R N 3.283 123.591 120.500 -0.320 0.000 2.399 2 R HA 0.447 4.785 4.340 -0.003 0.000 0.324 2 R C -1.084 175.164 176.300 -0.086 0.000 1.030 2 R CA -0.050 55.953 56.100 -0.160 0.000 0.984 2 R CB -0.555 29.657 30.300 -0.146 0.000 0.961 2 R HN 0.632 nan 8.270 nan 0.000 0.433 3 V N 1.815 121.708 119.914 -0.034 0.000 2.577 3 V HA 0.728 4.846 4.120 -0.003 0.000 0.303 3 V C -0.784 175.287 176.094 -0.039 0.000 1.042 3 V CA -0.534 61.729 62.300 -0.062 0.000 0.872 3 V CB 1.818 33.574 31.823 -0.112 0.000 0.998 3 V HN 0.986 nan 8.190 nan 0.000 0.423 4 E N 5.375 125.548 120.200 -0.045 0.000 2.281 4 E HA 0.506 4.854 4.350 -0.003 0.000 0.266 4 E C -1.621 174.948 176.600 -0.051 0.000 0.893 4 E CA -0.662 55.724 56.400 -0.025 0.000 0.798 4 E CB 2.300 32.011 29.700 0.019 0.000 1.245 4 E HN 0.677 nan 8.360 nan 0.000 0.410 5 V N 5.126 125.009 119.914 -0.051 0.000 2.637 5 V HA 0.050 4.168 4.120 -0.003 0.000 0.296 5 V C 0.516 176.604 176.094 -0.009 0.000 1.046 5 V CA -0.139 62.137 62.300 -0.039 0.000 1.066 5 V CB 1.016 32.831 31.823 -0.013 0.000 0.968 5 V HN 0.689 nan 8.190 nan 0.000 0.483 6 L N 3.288 124.513 121.223 0.002 0.000 3.014 6 L HA 0.472 4.810 4.340 -0.003 0.000 0.263 6 L C 0.018 176.901 176.870 0.020 0.000 1.207 6 L CA 0.306 55.151 54.840 0.007 0.000 1.017 6 L CB -0.413 41.648 42.059 0.004 0.000 1.360 6 L HN 0.617 nan 8.230 nan 0.000 0.560 7 D N -1.650 118.769 120.400 0.032 0.000 2.619 7 D HA 0.452 5.090 4.640 -0.003 0.000 0.241 7 D C 1.113 177.435 176.300 0.038 0.000 1.087 7 D CA 0.466 54.491 54.000 0.043 0.000 0.851 7 D CB 1.462 42.306 40.800 0.073 0.000 1.474 7 D HN -0.029 nan 8.370 nan 0.000 0.478 8 N N 1.860 120.578 118.700 0.031 0.000 2.135 8 N HA -0.124 4.614 4.740 -0.003 0.000 0.186 8 N C 1.290 176.820 175.510 0.034 0.000 1.027 8 N CA 1.167 54.233 53.050 0.027 0.000 0.849 8 N CB -0.473 38.026 38.487 0.019 0.000 1.002 8 N HN 0.371 nan 8.380 nan 0.000 0.425 9 K N 0.023 120.445 120.400 0.037 0.000 2.551 9 K HA 0.078 4.396 4.320 -0.003 0.000 0.192 9 K C -0.086 176.552 176.600 0.064 0.000 1.027 9 K CA -0.137 56.175 56.287 0.040 0.000 1.059 9 K CB 0.329 32.848 32.500 0.031 0.000 0.831 9 K HN 0.171 nan 8.250 nan 0.000 0.508 10 R N 0.272 120.822 120.500 0.082 0.000 3.516 10 R HA -0.218 4.120 4.340 -0.003 0.000 0.271 10 R C 0.062 176.503 176.300 0.236 0.000 1.098 10 R CA 0.792 56.971 56.100 0.132 0.000 0.732 10 R CB -2.458 27.912 30.300 0.118 0.000 1.152 10 R HN 0.481 nan 8.270 nan 0.000 0.455 11 R N -0.159 120.466 120.500 0.208 0.000 2.312 11 R HA 0.307 4.645 4.340 -0.003 0.000 0.205 11 R C 0.695 177.262 176.300 0.444 0.000 0.904 11 R CA 0.305 56.559 56.100 0.256 0.000 1.052 11 R CB 0.630 30.986 30.300 0.092 0.000 1.014 11 R HN 0.150 nan 8.270 nan 0.000 0.503 12 I N 1.563 122.320 120.570 0.311 0.000 2.466 12 I HA 0.200 4.368 4.170 -0.003 0.000 0.279 12 I C -0.877 175.267 176.117 0.044 0.000 1.033 12 I CA -0.783 60.642 61.300 0.208 0.000 1.123 12 I CB 2.436 40.509 38.000 0.122 0.000 1.237 12 I HN -0.226 nan 8.210 nan 0.000 0.460 13 V N 7.129 126.977 119.914 -0.109 0.000 2.769 13 V HA 0.630 4.748 4.120 -0.003 0.000 0.312 13 V C -0.579 175.429 176.094 -0.143 0.000 1.058 13 V CA -0.534 61.611 62.300 -0.259 0.000 0.952 13 V CB 2.256 33.684 31.823 -0.659 0.000 1.019 13 V HN 0.832 nan 8.190 nan 0.000 0.445 14 R N 5.795 126.247 120.500 -0.079 0.000 2.480 14 R HA 0.731 5.069 4.340 -0.003 0.000 0.306 14 R C -1.885 174.436 176.300 0.036 0.000 0.958 14 R CA -0.630 55.483 56.100 0.022 0.000 0.861 14 R CB 1.386 31.739 30.300 0.090 0.000 1.171 14 R HN 0.766 nan 8.270 nan 0.000 0.445 15 L N 2.945 124.183 121.223 0.026 0.000 2.301 15 L HA 0.665 5.003 4.340 -0.003 0.000 0.264 15 L C -0.184 176.606 176.870 -0.133 0.000 1.016 15 L CA -1.226 53.577 54.840 -0.062 0.000 0.821 15 L CB 2.086 44.069 42.059 -0.126 0.000 1.346 15 L HN 0.607 nan 8.230 nan 0.000 0.429 16 R N 2.137 122.443 120.500 -0.323 0.000 2.625 16 R HA 0.346 4.684 4.340 -0.003 0.000 0.286 16 R C -2.759 173.308 176.300 -0.388 0.000 1.406 16 R CA -1.509 54.251 56.100 -0.567 0.000 1.052 16 R CB 1.756 31.328 30.300 -1.213 0.000 1.203 16 R HN 0.285 nan 8.270 nan 0.000 0.502 17 P HA 0.014 nan 4.420 nan 0.000 0.267 17 P C -0.400 176.780 177.300 -0.200 0.000 1.209 17 P CA 0.207 63.190 63.100 -0.194 0.000 0.763 17 P CB 1.009 32.632 31.700 -0.128 0.000 0.816 18 E N 0.711 120.803 120.200 -0.180 0.000 2.481 18 E HA 0.089 4.437 4.350 -0.003 0.000 0.198 18 E C 0.552 177.103 176.600 -0.081 0.000 1.027 18 E CA 0.341 56.651 56.400 -0.150 0.000 0.900 18 E CB 0.493 30.090 29.700 -0.173 0.000 0.993 18 E HN 0.578 nan 8.360 nan 0.000 0.482 19 S N -1.216 114.449 115.700 -0.058 0.000 2.565 19 S HA 0.204 4.672 4.470 -0.003 0.000 0.269 19 S C 0.629 175.234 174.600 0.009 0.000 1.153 19 S CA -0.757 57.438 58.200 -0.008 0.000 0.835 19 S CB 2.150 65.355 63.200 0.009 0.000 1.122 19 S HN -0.046 nan 8.310 nan 0.000 0.462 20 E N 1.018 121.252 120.200 0.056 0.000 2.130 20 E HA -0.245 4.103 4.350 -0.003 0.000 0.196 20 E C 1.571 178.149 176.600 -0.037 0.000 0.998 20 E CA 2.062 58.511 56.400 0.081 0.000 0.806 20 E CB -0.143 29.660 29.700 0.172 0.000 0.738 20 E HN 0.726 nan 8.360 nan 0.000 0.459 21 E N 0.573 120.781 120.200 0.013 0.000 2.204 21 E HA -0.218 4.130 4.350 -0.003 0.000 0.195 21 E C 1.402 177.974 176.600 -0.047 0.000 0.990 21 E CA 1.142 57.531 56.400 -0.019 0.000 0.821 21 E CB -0.317 29.451 29.700 0.112 0.000 0.750 21 E HN 0.372 nan 8.360 nan 0.000 0.477 22 D N 1.125 121.494 120.400 -0.053 0.000 2.178 22 D HA -0.032 4.606 4.640 -0.003 0.000 0.202 22 D C 2.220 178.447 176.300 -0.123 0.000 0.974 22 D CA 0.551 54.502 54.000 -0.082 0.000 0.841 22 D CB -0.169 40.578 40.800 -0.089 0.000 0.953 22 D HN 0.207 nan 8.370 nan 0.000 0.478 23 L N -0.384 120.764 121.223 -0.126 0.000 2.027 23 L HA -0.098 4.240 4.340 -0.003 0.000 0.206 23 L C 2.533 179.167 176.870 -0.394 0.000 1.074 23 L CA 0.887 55.637 54.840 -0.149 0.000 0.745 23 L CB -0.451 41.631 42.059 0.038 0.000 0.898 23 L HN 0.247 nan 8.230 nan 0.000 0.433 24 W N 0.880 121.629 121.300 -0.919 0.000 2.317 24 W HA -0.313 4.345 4.660 -0.003 0.000 0.318 24 W C 2.286 178.511 176.519 -0.489 0.000 1.227 24 W CA 1.069 57.789 57.345 -1.042 0.000 1.269 24 W CB -0.074 28.778 29.460 -1.013 0.000 1.155 24 W HN 0.114 nan 8.180 nan 0.000 0.484 25 L N 0.966 121.995 121.223 -0.325 0.000 2.043 25 L HA -0.257 4.081 4.340 -0.003 0.000 0.212 25 L C 2.571 179.271 176.870 -0.283 0.000 1.075 25 L CA 1.773 56.434 54.840 -0.298 0.000 0.752 25 L CB -1.566 40.406 42.059 -0.145 0.000 0.891 25 L HN 0.073 nan 8.230 nan 0.000 0.432 26 L N -1.644 119.441 121.223 -0.231 0.000 2.072 26 L HA -0.201 4.137 4.340 -0.003 0.000 0.205 26 L C 2.662 179.442 176.870 -0.150 0.000 1.079 26 L CA 0.848 55.603 54.840 -0.143 0.000 0.752 26 L CB -0.386 41.621 42.059 -0.087 0.000 0.906 26 L HN 0.209 nan 8.230 nan 0.000 0.436 27 R N 1.510 121.852 120.500 -0.263 0.000 2.119 27 R HA -0.215 4.123 4.340 -0.003 0.000 0.246 27 R C 2.067 178.256 176.300 -0.185 0.000 1.146 27 R CA 2.140 58.093 56.100 -0.245 0.000 0.962 27 R CB -0.660 29.392 30.300 -0.413 0.000 0.863 27 R HN 0.594 nan 8.270 nan 0.000 0.442 28 I N -2.988 117.320 120.570 -0.436 0.000 3.419 28 I HA 0.113 4.281 4.170 -0.003 0.000 0.286 28 I C 0.484 176.485 176.117 -0.194 0.000 1.268 28 I CA 1.077 62.161 61.300 -0.360 0.000 1.414 28 I CB 0.058 37.690 38.000 -0.613 0.000 1.074 28 I HN 0.019 nan 8.210 nan 0.000 0.457 29 T N 1.673 116.152 114.554 -0.125 0.000 3.045 29 T HA 0.332 4.680 4.350 -0.003 0.000 0.239 29 T C 1.009 175.733 174.700 0.040 0.000 1.008 29 T CA -0.014 62.072 62.100 -0.024 0.000 1.143 29 T CB -0.032 68.856 68.868 0.032 0.000 0.894 29 T HN 0.108 nan 8.240 nan 0.000 0.451 30 L N 1.518 122.787 121.223 0.076 0.000 2.482 30 L HA 0.446 4.784 4.340 -0.003 0.000 0.273 30 L C 0.353 177.259 176.870 0.060 0.000 1.228 30 L CA -0.117 54.793 54.840 0.117 0.000 0.827 30 L CB 0.168 42.305 42.059 0.129 0.000 1.099 30 L HN 0.097 nan 8.230 nan 0.000 0.494 31 R N 0.854 121.374 120.500 0.033 0.000 2.643 31 R HA 0.387 4.725 4.340 -0.003 0.000 0.269 31 R C -2.722 173.582 176.300 0.006 0.000 1.037 31 R CA -1.528 54.556 56.100 -0.027 0.000 0.894 31 R CB 1.964 32.193 30.300 -0.119 0.000 1.238 31 R HN 0.186 nan 8.270 nan 0.000 0.459 32 P HA 0.029 nan 4.420 nan 0.000 0.263 32 P C 0.329 177.625 177.300 -0.007 0.000 1.175 32 P CA 1.612 64.726 63.100 0.024 0.000 0.761 32 P CB 0.654 32.368 31.700 0.023 0.000 0.794 33 G N 2.042 110.843 108.800 0.001 0.000 2.317 33 G HA2 -0.204 3.754 3.960 -0.003 0.000 0.227 33 G HA3 -0.204 3.754 3.960 -0.003 0.000 0.227 33 G C -0.084 174.806 174.900 -0.016 0.000 1.042 33 G CA -0.198 44.893 45.100 -0.015 0.000 0.623 33 G HN 0.535 nan 8.290 nan 0.000 0.509 34 D N 1.058 121.448 120.400 -0.016 0.000 2.525 34 D HA 0.380 5.018 4.640 -0.003 0.000 0.235 34 D C 0.559 176.891 176.300 0.052 0.000 1.137 34 D CA 0.433 54.442 54.000 0.015 0.000 0.868 34 D CB 1.484 42.322 40.800 0.063 0.000 1.180 34 D HN 0.307 nan 8.370 nan 0.000 0.465 35 V N 3.285 123.239 119.914 0.067 0.000 2.370 35 V HA 0.280 4.398 4.120 -0.003 0.000 0.279 35 V C 0.419 176.569 176.094 0.094 0.000 1.029 35 V CA -0.795 61.545 62.300 0.068 0.000 0.870 35 V CB 1.476 33.330 31.823 0.052 0.000 0.984 35 V HN 0.379 nan 8.190 nan 0.000 0.451 36 V N 3.122 123.086 119.914 0.083 0.000 2.612 36 V HA 0.698 4.816 4.120 -0.003 0.000 0.301 36 V C -0.174 175.956 176.094 0.060 0.000 1.046 36 V CA -0.989 61.361 62.300 0.084 0.000 0.946 36 V CB 1.611 33.485 31.823 0.085 0.000 1.003 36 V HN 0.877 nan 8.190 nan 0.000 0.459 37 R N 3.072 123.607 120.500 0.059 0.000 2.275 37 R HA 0.473 4.811 4.340 -0.003 0.000 0.326 37 R C -0.570 175.758 176.300 0.048 0.000 0.973 37 R CA -0.545 55.579 56.100 0.040 0.000 0.854 37 R CB 0.836 31.158 30.300 0.036 0.000 1.156 37 R HN 0.862 nan 8.270 nan 0.000 0.487 38 K N 2.990 123.410 120.400 0.033 0.000 2.208 38 K HA 0.297 4.615 4.320 -0.003 0.000 0.247 38 K C -0.852 175.765 176.600 0.028 0.000 0.953 38 K CA -0.868 55.448 56.287 0.049 0.000 0.837 38 K CB 1.722 34.255 32.500 0.055 0.000 1.131 38 K HN 0.530 nan 8.250 nan 0.000 0.431 39 R N 1.982 122.513 120.500 0.052 0.000 2.287 39 R HA 0.130 4.468 4.340 -0.003 0.000 0.327 39 R C 0.001 176.325 176.300 0.039 0.000 1.109 39 R CA 0.106 56.228 56.100 0.036 0.000 1.013 39 R CB 0.589 30.918 30.300 0.049 0.000 1.126 39 R HN 0.653 nan 8.270 nan 0.000 0.503 40 T N 0.585 115.148 114.554 0.015 0.000 2.766 40 T HA 0.520 4.868 4.350 -0.003 0.000 0.245 40 T C -0.952 173.771 174.700 0.038 0.000 1.045 40 T CA -0.064 62.068 62.100 0.053 0.000 1.038 40 T CB 0.889 69.818 68.868 0.103 0.000 2.089 40 T HN 0.597 nan 8.240 nan 0.000 0.546 41 S N -0.024 115.726 115.700 0.083 0.000 2.604 41 S HA 0.574 5.042 4.470 -0.003 0.000 0.296 41 S C -1.629 173.011 174.600 0.067 0.000 1.097 41 S CA -0.977 57.243 58.200 0.033 0.000 0.883 41 S CB 1.024 64.236 63.200 0.019 0.000 1.081 41 S HN 0.792 nan 8.310 nan 0.000 0.448 42 R N 1.035 121.519 120.500 -0.028 0.000 2.888 42 R HA 0.577 4.915 4.340 -0.003 0.000 0.264 42 R C -1.722 174.525 176.300 -0.089 0.000 1.045 42 R CA -1.070 55.014 56.100 -0.026 0.000 0.962 42 R CB 0.794 31.080 30.300 -0.024 0.000 1.210 42 R HN 0.578 nan 8.270 nan 0.000 0.479 43 D N 1.617 121.981 120.400 -0.060 0.000 2.339 43 D HA 0.160 4.798 4.640 -0.003 0.000 0.241 43 D C -0.785 175.468 176.300 -0.079 0.000 1.183 43 D CA 0.004 53.967 54.000 -0.063 0.000 0.859 43 D CB 1.560 42.341 40.800 -0.032 0.000 1.067 43 D HN 0.073 nan 8.370 nan 0.000 0.484 44 V N 4.451 124.296 119.914 -0.114 0.000 2.483 44 V HA 0.472 4.590 4.120 -0.003 0.000 0.295 44 V C -2.444 173.650 176.094 -0.001 0.000 1.035 44 V CA -2.366 59.883 62.300 -0.085 0.000 0.896 44 V CB 2.117 33.802 31.823 -0.230 0.000 0.986 44 V HN 0.346 nan 8.190 nan 0.000 0.447 45 P HA 0.261 nan 4.420 nan 0.000 0.276 45 P C -0.959 176.386 177.300 0.074 0.000 1.264 45 P CA 0.278 63.406 63.100 0.047 0.000 0.769 45 P CB 1.220 32.948 31.700 0.046 0.000 0.840 46 V N 3.158 123.109 119.914 0.062 0.000 2.818 46 V HA 0.489 4.607 4.120 -0.003 0.000 0.283 46 V C 0.134 176.258 176.094 0.051 0.000 1.366 46 V CA 0.200 62.543 62.300 0.071 0.000 0.934 46 V CB 1.297 33.191 31.823 0.119 0.000 1.100 46 V HN 0.592 nan 8.190 nan 0.000 0.447 47 G N 3.304 112.127 108.800 0.039 0.000 2.775 47 G HA2 0.131 4.089 3.960 -0.003 0.000 0.198 47 G HA3 0.131 4.089 3.960 -0.003 0.000 0.198 47 G C 0.571 175.487 174.900 0.027 0.000 1.121 47 G CA 0.697 45.819 45.100 0.036 0.000 0.686 47 G HN 0.780 nan 8.290 nan 0.000 0.782 48 S N 1.576 117.289 115.700 0.022 0.000 4.183 48 S HA 0.425 4.893 4.470 -0.003 0.000 0.195 48 S C 1.320 175.930 174.600 0.015 0.000 1.421 48 S CA 0.368 58.578 58.200 0.017 0.000 0.920 48 S CB -0.386 62.822 63.200 0.014 0.000 1.525 48 S HN 1.254 nan 8.310 nan 0.000 0.447 49 G N 2.252 111.062 108.800 0.017 0.000 2.283 49 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.280 49 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.280 49 G C 0.030 174.938 174.900 0.014 0.000 1.029 49 G CA 0.323 45.432 45.100 0.015 0.000 0.840 49 G HN 0.584 nan 8.290 nan 0.000 0.505 50 R N -0.260 120.250 120.500 0.017 0.000 2.686 50 R HA 0.623 4.961 4.340 -0.003 0.000 0.283 50 R C 0.026 176.336 176.300 0.017 0.000 0.978 50 R CA -0.850 55.259 56.100 0.015 0.000 0.897 50 R CB 1.133 31.442 30.300 0.014 0.000 1.192 50 R HN 0.365 nan 8.270 nan 0.000 0.457 51 K N 1.970 122.377 120.400 0.011 0.000 2.259 51 K HA 0.425 4.742 4.320 -0.003 0.000 0.252 51 K C -1.209 175.392 176.600 0.001 0.000 0.936 51 K CA -0.815 55.476 56.287 0.007 0.000 0.810 51 K CB 2.116 34.616 32.500 0.001 0.000 1.143 51 K HN 0.627 nan 8.250 nan 0.000 0.427 52 E N 2.150 122.347 120.200 -0.005 0.000 2.343 52 E HA 0.301 4.649 4.350 -0.003 0.000 0.270 52 E C -1.195 175.380 176.600 -0.042 0.000 0.895 52 E CA -1.383 55.009 56.400 -0.014 0.000 0.767 52 E CB 1.968 31.667 29.700 -0.001 0.000 1.248 52 E HN 0.697 nan 8.360 nan 0.000 0.440 53 R N 1.203 121.679 120.500 -0.040 0.000 2.221 53 R HA 0.455 4.793 4.340 -0.003 0.000 0.327 53 R C -1.237 175.022 176.300 -0.067 0.000 1.033 53 R CA -0.608 55.457 56.100 -0.058 0.000 0.887 53 R CB 1.377 31.655 30.300 -0.035 0.000 1.057 53 R HN 0.360 nan 8.270 nan 0.000 0.455 54 V N 5.515 125.354 119.914 -0.124 0.000 2.604 54 V HA 0.332 4.450 4.120 -0.003 0.000 0.305 54 V C -0.441 175.587 176.094 -0.109 0.000 1.043 54 V CA -0.958 61.273 62.300 -0.116 0.000 0.888 54 V CB 2.029 33.758 31.823 -0.157 0.000 0.995 54 V HN 0.743 nan 8.190 nan 0.000 0.429 55 V N 8.934 128.822 119.914 -0.043 0.000 2.673 55 V HA 0.458 4.576 4.120 -0.003 0.000 0.303 55 V C 0.011 176.096 176.094 -0.016 0.000 1.046 55 V CA 0.642 62.930 62.300 -0.020 0.000 1.126 55 V CB 0.831 32.658 31.823 0.007 0.000 0.934 55 V HN 1.001 nan 8.190 nan 0.000 0.487 56 M N 4.310 123.900 119.600 -0.016 0.000 2.490 56 M HA 0.424 4.902 4.480 -0.003 0.000 0.286 56 M C -0.819 175.476 176.300 -0.010 0.000 1.185 56 M CA -0.606 54.697 55.300 0.006 0.000 0.912 56 M CB 1.786 34.385 32.600 -0.001 0.000 1.744 56 M HN 0.328 nan 8.290 nan 0.000 0.494 57 T N 4.375 118.933 114.554 0.007 0.000 2.780 57 T HA 0.745 5.093 4.350 -0.003 0.000 0.294 57 T C -0.229 174.459 174.700 -0.020 0.000 0.949 57 T CA -0.491 61.605 62.100 -0.007 0.000 1.074 57 T CB 0.291 69.162 68.868 0.004 0.000 0.910 57 T HN 0.592 nan 8.240 nan 0.000 0.501 58 L N 1.512 122.702 121.223 -0.055 0.000 2.303 58 L HA 0.772 5.110 4.340 -0.003 0.000 0.256 58 L C -0.442 176.404 176.870 -0.040 0.000 1.034 58 L CA -1.615 53.189 54.840 -0.060 0.000 0.832 58 L CB 1.978 43.963 42.059 -0.122 0.000 1.403 58 L HN 0.290 nan 8.230 nan 0.000 0.419 59 R N 1.156 121.643 120.500 -0.022 0.000 2.388 59 R HA 0.680 5.018 4.340 -0.003 0.000 0.314 59 R C -1.385 174.919 176.300 0.007 0.000 0.959 59 R CA -0.375 55.727 56.100 0.003 0.000 0.851 59 R CB 1.804 32.112 30.300 0.015 0.000 1.168 59 R HN 0.526 nan 8.270 nan 0.000 0.472 60 I N 2.598 123.181 120.570 0.020 0.000 2.355 60 I HA 0.306 4.474 4.170 -0.003 0.000 0.288 60 I C 0.445 176.590 176.117 0.046 0.000 0.999 60 I CA -0.749 60.572 61.300 0.036 0.000 1.163 60 I CB 1.606 39.640 38.000 0.056 0.000 1.316 60 I HN 0.351 nan 8.210 nan 0.000 0.454 61 R N 6.431 126.955 120.500 0.040 0.000 2.435 61 R HA 0.130 4.468 4.340 -0.003 0.000 0.325 61 R C -0.426 175.900 176.300 0.044 0.000 1.149 61 R CA -0.653 55.469 56.100 0.037 0.000 0.995 61 R CB 0.078 30.394 30.300 0.027 0.000 1.008 61 R HN 0.443 nan 8.270 nan 0.000 0.470 62 L N 3.800 125.054 121.223 0.050 0.000 2.640 62 L HA -0.161 4.177 4.340 -0.003 0.000 0.300 62 L C 0.899 177.796 176.870 0.046 0.000 1.259 62 L CA 1.269 56.142 54.840 0.055 0.000 0.879 62 L CB 0.406 42.504 42.059 0.064 0.000 1.125 62 L HN 0.796 nan 8.230 nan 0.000 0.507 63 D N -0.808 119.621 120.400 0.049 0.000 2.331 63 D HA 0.130 4.768 4.640 -0.003 0.000 0.300 63 D C -0.357 175.970 176.300 0.045 0.000 1.090 63 D CA 0.774 54.799 54.000 0.041 0.000 0.905 63 D CB 0.797 41.620 40.800 0.038 0.000 1.600 63 D HN 0.572 nan 8.370 nan 0.000 0.511 64 S N -0.141 115.586 115.700 0.045 0.000 2.543 64 S HA 0.548 5.016 4.470 -0.003 0.000 0.274 64 S C -1.448 173.166 174.600 0.023 0.000 1.149 64 S CA -0.963 57.258 58.200 0.034 0.000 0.866 64 S CB 1.280 64.491 63.200 0.018 0.000 1.111 64 S HN 0.304 nan 8.310 nan 0.000 0.457 65 I N 0.590 121.149 120.570 -0.019 0.000 2.548 65 I HA 0.705 4.873 4.170 -0.003 0.000 0.287 65 I C -1.631 174.420 176.117 -0.110 0.000 1.103 65 I CA -0.228 61.052 61.300 -0.034 0.000 1.049 65 I CB 1.757 39.764 38.000 0.011 0.000 1.232 65 I HN 0.678 nan 8.210 nan 0.000 0.429 66 E N 6.666 126.851 120.200 -0.024 0.000 2.234 66 E HA 0.389 4.737 4.350 -0.003 0.000 0.266 66 E C -1.718 174.951 176.600 0.115 0.000 0.877 66 E CA -0.475 55.928 56.400 0.004 0.000 0.758 66 E CB 2.883 32.581 29.700 -0.003 0.000 1.170 66 E HN 0.567 nan 8.360 nan 0.000 0.415 67 F N 1.662 121.611 119.950 -0.002 0.000 2.523 67 F HA 0.452 4.977 4.527 -0.004 0.000 0.329 67 F C -0.673 175.162 175.800 0.059 0.000 1.061 67 F CA -0.469 57.562 58.000 0.052 0.000 0.967 67 F CB 1.529 40.619 39.000 0.149 0.000 1.218 67 F HN 0.119 nan 8.300 nan 0.000 0.480 68 Q N 4.459 123.631 119.800 -1.048 0.000 2.296 68 Q HA 0.306 4.644 4.340 -0.003 0.000 0.254 68 Q C -2.819 172.592 176.000 -0.982 0.000 0.936 68 Q CA -2.012 53.373 55.803 -0.698 0.000 0.834 68 Q CB 2.486 31.041 28.738 -0.305 0.000 1.340 68 Q HN 0.319 nan 8.270 nan 0.000 0.428 69 P HA 0.170 nan 4.420 nan 0.000 0.268 69 P C -0.495 176.643 177.300 -0.269 0.000 1.204 69 P CA 0.116 62.897 63.100 -0.532 0.000 0.768 69 P CB 0.143 31.623 31.700 -0.366 0.000 0.842 70 F N -0.379 119.569 119.950 -0.003 0.000 2.746 70 F HA -0.251 4.274 4.527 -0.003 0.000 0.315 70 F C 1.496 177.290 175.800 -0.010 0.000 0.666 70 F CA 1.393 59.412 58.000 0.032 0.000 1.381 70 F CB -2.988 36.030 39.000 0.030 0.000 1.739 70 F HN 0.370 nan 8.300 nan 0.000 0.322 71 T N -3.073 111.488 114.554 0.011 0.000 3.051 71 T HA 0.434 4.782 4.350 -0.003 0.000 0.255 71 T C 1.892 176.601 174.700 0.015 0.000 1.085 71 T CA 1.037 63.132 62.100 -0.009 0.000 1.109 71 T CB 0.413 69.225 68.868 -0.093 0.000 0.921 71 T HN 1.609 nan 8.240 nan 0.000 0.488 72 G N 1.608 110.429 108.800 0.035 0.000 2.179 72 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.257 72 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.257 72 G C -0.139 174.798 174.900 0.061 0.000 1.010 72 G CA 0.486 45.629 45.100 0.071 0.000 0.736 72 G HN 0.714 nan 8.290 nan 0.000 0.513 73 K N -0.647 119.780 120.400 0.046 0.000 2.464 73 K HA 0.619 4.937 4.320 -0.003 0.000 0.253 73 K C -0.955 175.705 176.600 0.099 0.000 0.933 73 K CA -0.957 55.361 56.287 0.052 0.000 0.801 73 K CB 2.531 35.039 32.500 0.015 0.000 1.271 73 K HN 0.067 nan 8.250 nan 0.000 0.430 74 L N 3.674 124.974 121.223 0.128 0.000 2.319 74 L HA 0.427 4.765 4.340 -0.003 0.000 0.281 74 L C -0.693 176.232 176.870 0.092 0.000 1.005 74 L CA -0.642 54.302 54.840 0.174 0.000 0.828 74 L CB 0.971 43.125 42.059 0.159 0.000 1.227 74 L HN 0.558 nan 8.230 nan 0.000 0.415 75 R N 6.092 126.634 120.500 0.071 0.000 2.340 75 R HA 0.525 4.863 4.340 -0.003 0.000 0.300 75 R C -0.422 175.901 176.300 0.038 0.000 1.069 75 R CA -0.202 55.921 56.100 0.037 0.000 0.984 75 R CB 1.024 31.332 30.300 0.014 0.000 1.003 75 R HN 0.626 nan 8.270 nan 0.000 0.459 76 I N -1.993 118.601 120.570 0.039 0.000 2.828 76 I HA 0.679 4.847 4.170 -0.003 0.000 0.302 76 I C -0.646 175.498 176.117 0.045 0.000 1.101 76 I CA -0.790 60.538 61.300 0.047 0.000 1.031 76 I CB 2.513 40.553 38.000 0.067 0.000 1.231 76 I HN 0.431 nan 8.210 nan 0.000 0.427 77 S N 2.095 117.823 115.700 0.048 0.000 2.550 77 S HA 0.966 5.434 4.470 -0.003 0.000 0.270 77 S C -0.695 173.942 174.600 0.061 0.000 1.145 77 S CA 0.155 58.385 58.200 0.050 0.000 0.852 77 S CB 1.907 65.118 63.200 0.019 0.000 1.119 77 S HN 1.439 nan 8.310 nan 0.000 0.465 78 G N 1.634 110.478 108.800 0.073 0.000 2.490 78 G HA2 0.427 4.385 3.960 -0.003 0.000 0.308 78 G HA3 0.427 4.385 3.960 -0.003 0.000 0.308 78 G C -1.981 172.960 174.900 0.068 0.000 1.286 78 G CA -0.645 44.493 45.100 0.063 0.000 0.825 78 G HN 0.627 nan 8.290 nan 0.000 0.479 79 I N 1.610 122.212 120.570 0.054 0.000 2.342 79 I HA 0.299 4.467 4.170 -0.003 0.000 0.291 79 I C 0.920 177.067 176.117 0.050 0.000 1.010 79 I CA -0.689 60.641 61.300 0.051 0.000 1.308 79 I CB 0.947 38.968 38.000 0.037 0.000 1.400 79 I HN 0.176 nan 8.210 nan 0.000 0.488 80 V N 7.663 127.609 119.914 0.055 0.000 2.694 80 V HA -0.037 4.081 4.120 -0.003 0.000 0.306 80 V C 1.133 177.243 176.094 0.027 0.000 1.054 80 V CA 0.368 62.688 62.300 0.033 0.000 1.161 80 V CB 1.469 33.309 31.823 0.028 0.000 0.916 80 V HN 0.664 nan 8.190 nan 0.000 0.490 81 V N 3.191 123.117 119.914 0.019 0.000 3.484 81 V HA 0.302 4.420 4.120 -0.003 0.000 0.252 81 V C 0.518 176.621 176.094 0.016 0.000 1.282 81 V CA 0.839 63.150 62.300 0.019 0.000 1.104 81 V CB 0.652 32.487 31.823 0.019 0.000 0.868 81 V HN 1.012 nan 8.190 nan 0.000 0.457 82 E N -1.393 118.815 120.200 0.013 0.000 2.388 82 E HA 0.521 4.869 4.350 -0.003 0.000 0.289 82 E C -0.652 175.956 176.600 0.013 0.000 0.944 82 E CA 0.175 56.584 56.400 0.014 0.000 0.792 82 E CB 1.685 31.392 29.700 0.012 0.000 1.239 82 E HN 0.251 nan 8.360 nan 0.000 0.412 83 G N 2.820 111.635 108.800 0.025 0.000 2.827 83 G HA2 0.610 4.568 3.960 -0.003 0.000 0.296 83 G HA3 0.610 4.568 3.960 -0.003 0.000 0.296 83 G C -2.833 172.102 174.900 0.057 0.000 1.362 83 G CA -1.116 44.008 45.100 0.041 0.000 0.809 83 G HN 0.378 nan 8.290 nan 0.000 0.522 84 P HA 0.204 nan 4.420 nan 0.000 0.265 84 P C -0.218 177.086 177.300 0.006 0.000 1.193 84 P CA 0.069 63.207 63.100 0.063 0.000 0.765 84 P CB 0.911 32.709 31.700 0.164 0.000 0.823 85 D N 1.442 121.810 120.400 -0.054 0.000 2.117 85 D HA -0.192 4.446 4.640 -0.003 0.000 0.197 85 D C 1.798 178.030 176.300 -0.114 0.000 0.987 85 D CA 1.091 55.055 54.000 -0.060 0.000 0.829 85 D CB -0.064 40.701 40.800 -0.058 0.000 0.961 85 D HN 0.552 nan 8.370 nan 0.000 0.460 86 E N 0.919 120.965 120.200 -0.258 0.000 2.070 86 E HA -0.240 4.108 4.350 -0.003 0.000 0.197 86 E C 1.700 178.115 176.600 -0.309 0.000 1.004 86 E CA 1.194 57.361 56.400 -0.387 0.000 0.805 86 E CB -0.822 28.464 29.700 -0.691 0.000 0.744 86 E HN 0.382 nan 8.360 nan 0.000 0.451 87 F N 1.053 121.005 119.950 0.002 0.000 2.512 87 F HA 0.305 4.831 4.527 -0.001 0.000 0.296 87 F C 1.821 177.625 175.800 0.007 0.000 1.110 87 F CA 0.527 58.530 58.000 0.005 0.000 1.446 87 F CB -0.617 38.387 39.000 0.006 0.000 1.092 87 F HN 0.211 nan 8.300 nan 0.000 0.554 88 G N 1.102 109.989 108.800 0.145 0.000 2.366 88 G HA2 -0.249 3.708 3.960 -0.003 0.000 0.299 88 G HA3 -0.249 3.708 3.960 -0.003 0.000 0.299 88 G C 0.919 175.878 174.900 0.099 0.000 1.020 88 G CA 0.563 45.717 45.100 0.091 0.000 1.026 88 G HN 0.535 nan 8.290 nan 0.000 0.512 89 V N -2.143 117.841 119.914 0.116 0.000 3.306 89 V HA 0.268 4.386 4.120 -0.003 0.000 0.264 89 V C 1.560 177.689 176.094 0.059 0.000 1.149 89 V CA 1.273 63.623 62.300 0.084 0.000 1.143 89 V CB -0.307 31.559 31.823 0.072 0.000 0.767 89 V HN 0.715 nan 8.190 nan 0.000 0.476 90 K N 1.537 121.968 120.400 0.052 0.000 2.550 90 K HA 0.292 4.610 4.320 -0.003 0.000 0.280 90 K C 1.244 177.866 176.600 0.037 0.000 0.987 90 K CA 1.392 57.701 56.287 0.038 0.000 1.048 90 K CB -0.052 32.466 32.500 0.031 0.000 0.879 90 K HN 0.771 nan 8.250 nan 0.000 0.491 91 G N 2.765 111.586 108.800 0.034 0.000 2.241 91 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.244 91 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.244 91 G C -0.022 174.901 174.900 0.038 0.000 0.998 91 G CA -0.022 45.097 45.100 0.032 0.000 0.621 91 G HN 0.596 nan 8.290 nan 0.000 0.519 92 R N 0.750 121.278 120.500 0.047 0.000 2.560 92 R HA 0.499 4.837 4.340 -0.003 0.000 0.270 92 R C 0.893 177.233 176.300 0.067 0.000 1.074 92 R CA -0.605 55.527 56.100 0.054 0.000 1.140 92 R CB 0.500 30.838 30.300 0.064 0.000 1.073 92 R HN 0.558 nan 8.270 nan 0.000 0.527 93 R N 1.031 121.568 120.500 0.061 0.000 2.582 93 R HA 0.077 4.415 4.340 -0.003 0.000 0.271 93 R C -0.603 175.768 176.300 0.118 0.000 1.078 93 R CA 0.013 56.155 56.100 0.069 0.000 1.127 93 R CB 0.566 30.887 30.300 0.035 0.000 1.038 93 R HN 0.579 nan 8.270 nan 0.000 0.500 94 H N 1.895 120.972 119.070 0.013 0.000 3.018 94 H HA 0.270 4.824 4.556 -0.003 0.000 0.334 94 H C -1.576 173.759 175.328 0.012 0.000 0.983 94 H CA -0.507 55.547 56.048 0.010 0.000 1.363 94 H CB 1.521 31.291 29.762 0.012 0.000 1.668 94 H HN 0.692 nan 8.280 nan 0.000 0.513 95 S N 3.284 118.799 115.700 -0.309 0.000 2.549 95 S HA 0.617 5.085 4.470 -0.003 0.000 0.297 95 S C 0.036 174.481 174.600 -0.259 0.000 1.115 95 S CA -0.523 57.570 58.200 -0.178 0.000 1.059 95 S CB 2.489 65.621 63.200 -0.114 0.000 1.046 95 S HN 0.779 nan 8.310 nan 0.000 0.506 96 T N -0.078 114.430 114.554 -0.076 0.000 2.661 96 T HA 0.623 4.971 4.350 -0.003 0.000 0.303 96 T C -2.190 172.524 174.700 0.023 0.000 1.658 96 T CA -0.151 61.935 62.100 -0.023 0.000 0.974 96 T CB 0.571 69.490 68.868 0.086 0.000 1.857 96 T HN 1.005 nan 8.240 nan 0.000 0.475 97 A N 1.514 124.357 122.820 0.040 0.000 2.375 97 A HA 0.698 5.016 4.320 -0.003 0.000 0.295 97 A C -0.750 176.864 177.584 0.049 0.000 1.066 97 A CA -0.491 51.570 52.037 0.040 0.000 0.722 97 A CB 1.251 20.266 19.000 0.025 0.000 1.206 97 A HN 0.828 nan 8.150 nan 0.000 0.435 98 V N 2.064 122.009 119.914 0.052 0.000 2.572 98 V HA 0.432 4.550 4.120 -0.003 0.000 0.291 98 V C 0.791 176.905 176.094 0.034 0.000 1.039 98 V CA 0.295 62.620 62.300 0.041 0.000 1.055 98 V CB 0.992 32.837 31.823 0.036 0.000 0.969 98 V HN 0.904 nan 8.190 nan 0.000 0.482 99 S N 3.382 119.092 115.700 0.017 0.000 2.715 99 S HA 0.637 5.105 4.470 -0.003 0.000 0.307 99 S C -0.243 174.347 174.600 -0.017 0.000 1.119 99 S CA -0.746 57.461 58.200 0.012 0.000 0.937 99 S CB 1.516 64.724 63.200 0.013 0.000 1.150 99 S HN 0.555 nan 8.310 nan 0.000 0.521 100 I N 2.354 122.915 120.570 -0.015 0.000 2.581 100 I HA 0.285 4.453 4.170 -0.003 0.000 0.285 100 I C 1.419 177.491 176.117 -0.076 0.000 1.129 100 I CA 0.762 62.034 61.300 -0.046 0.000 1.397 100 I CB -0.403 37.584 38.000 -0.023 0.000 1.399 100 I HN 1.028 nan 8.210 nan 0.000 0.537 101 G N 4.175 112.889 108.800 -0.144 0.000 2.339 101 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.209 101 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.209 101 G C 0.487 175.233 174.900 -0.256 0.000 1.015 101 G CA -0.346 44.638 45.100 -0.194 0.000 0.635 101 G HN 0.492 nan 8.290 nan 0.000 0.499 102 T N 1.951 116.421 114.554 -0.140 0.000 2.822 102 T HA 0.256 4.604 4.350 -0.003 0.000 0.288 102 T C 0.229 174.853 174.700 -0.127 0.000 0.991 102 T CA 0.418 62.478 62.100 -0.066 0.000 1.176 102 T CB 0.132 68.995 68.868 -0.009 0.000 0.951 102 T HN 0.280 nan 8.240 nan 0.000 0.526 103 W N 5.012 126.305 121.300 -0.010 0.000 2.202 103 W HA 0.511 5.169 4.660 -0.002 0.000 0.332 103 W C -0.010 176.501 176.519 -0.013 0.000 1.263 103 W CA -0.785 56.550 57.345 -0.018 0.000 1.223 103 W CB 0.550 30.000 29.460 -0.017 0.000 1.128 103 W HN 0.368 nan 8.180 nan 0.000 0.573 104 L N 1.322 122.685 121.223 0.233 0.000 2.582 104 L HA 0.719 5.057 4.340 -0.003 0.000 0.257 104 L C -1.721 175.221 176.870 0.120 0.000 0.974 104 L CA -1.319 53.610 54.840 0.148 0.000 0.851 104 L CB 0.738 42.850 42.059 0.089 0.000 1.424 104 L HN 0.182 nan 8.230 nan 0.000 0.412 105 V N 2.427 122.397 119.914 0.092 0.000 2.409 105 V HA 0.701 4.819 4.120 -0.003 0.000 0.291 105 V C -0.141 176.003 176.094 0.084 0.000 1.020 105 V CA -0.576 61.765 62.300 0.069 0.000 0.848 105 V CB 1.979 33.836 31.823 0.057 0.000 0.990 105 V HN 0.719 nan 8.190 nan 0.000 0.430 106 V N 4.894 124.866 119.914 0.097 0.000 2.628 106 V HA 0.694 4.812 4.120 -0.003 0.000 0.306 106 V C -0.529 175.775 176.094 0.350 0.000 1.045 106 V CA -0.288 62.135 62.300 0.205 0.000 0.905 106 V CB 1.923 33.891 31.823 0.243 0.000 0.997 106 V HN 0.999 nan 8.190 nan 0.000 0.436 107 E N 5.904 126.293 120.200 0.314 0.000 2.207 107 E HA 0.389 4.737 4.350 -0.003 0.000 0.250 107 E C -0.726 175.964 176.600 0.150 0.000 0.890 107 E CA -0.707 55.864 56.400 0.285 0.000 0.749 107 E CB 1.149 30.936 29.700 0.146 0.000 1.193 107 E HN 0.760 nan 8.360 nan 0.000 0.423 108 R N 3.692 124.208 120.500 0.026 0.000 2.196 108 R HA 0.047 4.385 4.340 -0.003 0.000 0.340 108 R C 0.442 176.584 176.300 -0.263 0.000 1.043 108 R CA -0.202 55.641 56.100 -0.428 0.000 0.883 108 R CB 0.692 30.164 30.300 -1.380 0.000 1.078 108 R HN 0.629 nan 8.270 nan 0.000 0.462 109 D N 2.655 122.955 120.400 -0.167 0.000 2.123 109 D HA -0.221 4.417 4.640 -0.003 0.000 0.196 109 D C 1.287 177.518 176.300 -0.116 0.000 0.992 109 D CA 1.441 55.380 54.000 -0.100 0.000 0.833 109 D CB 0.348 41.102 40.800 -0.076 0.000 0.954 109 D HN 0.460 nan 8.370 nan 0.000 0.455 110 K N 0.081 120.379 120.400 -0.169 0.000 2.569 110 K HA 0.097 4.415 4.320 -0.003 0.000 0.193 110 K C 0.386 176.889 176.600 -0.162 0.000 1.026 110 K CA 0.660 56.857 56.287 -0.149 0.000 1.093 110 K CB -0.623 31.781 32.500 -0.161 0.000 0.849 110 K HN 0.219 nan 8.250 nan 0.000 0.509 111 G N 1.123 109.813 108.800 -0.184 0.000 2.881 111 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.681 111 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.681 111 G C -1.093 173.681 174.900 -0.209 0.000 1.567 111 G CA -0.319 44.709 45.100 -0.120 0.000 1.013 111 G HN 0.365 nan 8.290 nan 0.000 0.580 112 W N 1.397 122.692 121.300 -0.009 0.000 2.316 112 W HA 0.561 5.219 4.660 -0.005 0.000 0.311 112 W C 1.171 177.682 176.519 -0.012 0.000 1.217 112 W CA 0.154 57.492 57.345 -0.012 0.000 1.199 112 W CB 1.441 30.896 29.460 -0.008 0.000 1.202 112 W HN 0.957 nan 8.180 nan 0.000 0.528 113 S N 1.364 117.179 115.700 0.191 0.000 2.593 113 S HA 0.060 4.528 4.470 -0.003 0.000 0.269 113 S C 1.011 175.687 174.600 0.126 0.000 1.334 113 S CA -0.259 58.010 58.200 0.114 0.000 1.015 113 S CB 1.464 64.701 63.200 0.062 0.000 0.912 113 S HN 0.582 nan 8.310 nan 0.000 0.541 114 E N 0.925 121.171 120.200 0.076 0.000 2.106 114 E HA -0.112 4.236 4.350 -0.003 0.000 0.192 114 E C 2.225 178.854 176.600 0.048 0.000 0.984 114 E CA 1.599 58.032 56.400 0.056 0.000 0.806 114 E CB -0.162 29.559 29.700 0.036 0.000 0.750 114 E HN 0.788 nan 8.360 nan 0.000 0.458 115 Q N -0.081 119.746 119.800 0.045 0.000 2.046 115 Q HA -0.170 4.168 4.340 -0.003 0.000 0.200 115 Q C 2.138 178.165 176.000 0.046 0.000 0.975 115 Q CA 1.375 57.198 55.803 0.034 0.000 0.836 115 Q CB -0.188 28.564 28.738 0.023 0.000 0.896 115 Q HN 0.347 nan 8.270 nan 0.000 0.428 116 E N 0.525 120.775 120.200 0.084 0.000 2.049 116 E HA -0.212 4.136 4.350 -0.003 0.000 0.198 116 E C 1.930 178.583 176.600 0.089 0.000 1.007 116 E CA 1.087 57.566 56.400 0.132 0.000 0.809 116 E CB -0.028 29.840 29.700 0.281 0.000 0.749 116 E HN 0.142 nan 8.360 nan 0.000 0.450 117 L N 0.637 121.906 121.223 0.076 0.000 2.131 117 L HA -0.189 4.149 4.340 -0.003 0.000 0.210 117 L C 2.649 179.510 176.870 -0.016 0.000 1.092 117 L CA 2.254 57.085 54.840 -0.015 0.000 0.759 117 L CB -1.778 40.270 42.059 -0.018 0.000 0.903 117 L HN 0.282 nan 8.230 nan 0.000 0.435 118 E N -0.050 120.154 120.200 0.006 0.000 2.072 118 E HA -0.221 4.127 4.350 -0.003 0.000 0.190 118 E C 2.386 178.985 176.600 -0.001 0.000 0.982 118 E CA 1.112 57.514 56.400 0.002 0.000 0.803 118 E CB -0.601 29.103 29.700 0.006 0.000 0.755 118 E HN 0.459 nan 8.360 nan 0.000 0.453 119 R N -0.630 119.871 120.500 0.001 0.000 2.091 119 R HA -0.086 4.252 4.340 -0.003 0.000 0.238 119 R C 2.224 178.510 176.300 -0.022 0.000 1.136 119 R CA 1.413 57.508 56.100 -0.008 0.000 0.959 119 R CB -0.363 29.932 30.300 -0.008 0.000 0.856 119 R HN 0.367 nan 8.270 nan 0.000 0.437 120 L N 0.377 121.580 121.223 -0.033 0.000 2.187 120 L HA -0.073 4.265 4.340 -0.003 0.000 0.213 120 L C 1.987 178.832 176.870 -0.041 0.000 1.100 120 L CA 1.918 56.720 54.840 -0.063 0.000 0.765 120 L CB -0.795 41.194 42.059 -0.117 0.000 0.904 120 L HN 0.301 nan 8.230 nan 0.000 0.437 121 A N -2.065 120.750 122.820 -0.009 0.000 2.348 121 A HA 0.375 4.693 4.320 -0.003 0.000 0.224 121 A C 2.300 179.910 177.584 0.044 0.000 1.227 121 A CA 0.676 52.740 52.037 0.045 0.000 0.885 121 A CB -0.321 18.715 19.000 0.060 0.000 0.933 121 A HN 0.275 nan 8.150 nan 0.000 0.506 122 A N 0.453 123.283 122.820 0.016 0.000 1.986 122 A HA 0.165 4.483 4.320 -0.003 0.000 0.220 122 A C 1.647 179.251 177.584 0.034 0.000 1.171 122 A CA 1.343 53.390 52.037 0.017 0.000 0.640 122 A CB -1.144 17.861 19.000 0.009 0.000 0.811 122 A HN 0.806 nan 8.150 nan 0.000 0.451 123 G N -2.302 106.523 108.800 0.041 0.000 2.527 123 G HA2 0.490 4.448 3.960 -0.003 0.000 0.248 123 G HA3 0.490 4.448 3.960 -0.003 0.000 0.248 123 G C 0.052 174.997 174.900 0.075 0.000 1.231 123 G CA 0.344 45.477 45.100 0.054 0.000 0.838 123 G HN 1.194 nan 8.290 nan 0.000 0.570 124 R N 0.558 121.099 120.500 0.068 0.000 2.734 124 R HA 0.684 5.022 4.340 -0.003 0.000 0.242 124 R C 0.648 176.984 176.300 0.059 0.000 1.617 124 R CA 0.348 56.490 56.100 0.071 0.000 1.572 124 R CB -0.251 30.079 30.300 0.050 0.000 1.477 124 R HN 2.210 nan 8.270 nan 0.000 0.707 125 A N 2.348 125.202 122.820 0.057 0.000 1.961 125 A HA -0.176 4.142 4.320 -0.003 0.000 0.243 125 A C 1.012 178.628 177.584 0.053 0.000 1.270 125 A CA 1.151 53.222 52.037 0.056 0.000 0.916 125 A CB -1.149 17.878 19.000 0.045 0.000 1.032 125 A HN 0.908 nan 8.150 nan 0.000 0.355 126 R N 0.510 121.040 120.500 0.050 0.000 2.291 126 R HA 0.371 4.709 4.340 -0.003 0.000 0.333 126 R C 0.883 177.206 176.300 0.038 0.000 1.082 126 R CA 0.112 56.235 56.100 0.038 0.000 0.948 126 R CB 0.095 30.413 30.300 0.029 0.000 1.009 126 R HN 0.273 nan 8.270 nan 0.000 0.460 127 G N 2.435 111.260 108.800 0.042 0.000 2.586 127 G HA2 -0.039 3.919 3.960 -0.003 0.000 0.199 127 G HA3 -0.039 3.919 3.960 -0.003 0.000 0.199 127 G C -0.423 174.501 174.900 0.041 0.000 1.614 127 G CA 0.289 45.422 45.100 0.055 0.000 0.921 127 G HN 0.555 nan 8.290 nan 0.000 0.428 128 T N -0.472 114.113 114.554 0.052 0.000 2.900 128 T HA 0.651 4.999 4.350 -0.003 0.000 0.295 128 T C -0.726 173.984 174.700 0.016 0.000 1.044 128 T CA 0.235 62.365 62.100 0.050 0.000 0.995 128 T CB 1.753 70.689 68.868 0.113 0.000 1.072 128 T HN 0.707 nan 8.240 nan 0.000 0.473 129 A N 1.591 124.402 122.820 -0.015 0.000 2.430 129 A HA 0.919 5.237 4.320 -0.003 0.000 0.300 129 A C -0.691 176.850 177.584 -0.072 0.000 1.124 129 A CA -0.733 51.285 52.037 -0.032 0.000 0.766 129 A CB 1.364 20.344 19.000 -0.033 0.000 1.328 129 A HN 1.063 nan 8.150 nan 0.000 0.424 130 V N -0.689 119.186 119.914 -0.066 0.000 2.604 130 V HA 0.830 4.948 4.120 -0.003 0.000 0.305 130 V C -0.931 175.114 176.094 -0.082 0.000 1.043 130 V CA -0.770 61.473 62.300 -0.094 0.000 0.888 130 V CB 1.428 33.207 31.823 -0.073 0.000 0.995 130 V HN 0.644 nan 8.190 nan 0.000 0.429 131 I N 3.438 123.943 120.570 -0.108 0.000 2.465 131 I HA 0.901 5.069 4.170 -0.003 0.000 0.291 131 I C 0.246 176.275 176.117 -0.147 0.000 1.014 131 I CA -0.709 60.527 61.300 -0.106 0.000 1.093 131 I CB 1.169 39.105 38.000 -0.106 0.000 1.267 131 I HN 1.017 nan 8.210 nan 0.000 0.431 132 A N 4.457 127.192 122.820 -0.141 0.000 2.423 132 A HA 0.989 5.307 4.320 -0.003 0.000 0.304 132 A C -0.853 176.613 177.584 -0.196 0.000 1.104 132 A CA -0.655 51.238 52.037 -0.239 0.000 0.757 132 A CB 2.005 20.920 19.000 -0.142 0.000 1.313 132 A HN 0.958 nan 8.150 nan 0.000 0.423 133 A N 0.839 123.490 122.820 -0.282 0.000 2.446 133 A HA 0.623 4.941 4.320 -0.003 0.000 0.282 133 A C -0.656 176.878 177.584 -0.084 0.000 1.102 133 A CA -0.245 51.705 52.037 -0.145 0.000 0.737 133 A CB 0.768 19.694 19.000 -0.123 0.000 1.212 133 A HN 2.048 nan 8.150 nan 0.000 0.434 134 V N 0.902 120.830 119.914 0.023 0.000 2.459 134 V HA 0.878 4.996 4.120 -0.003 0.000 0.295 134 V C -0.548 175.579 176.094 0.055 0.000 1.029 134 V CA -0.553 61.815 62.300 0.114 0.000 0.874 134 V CB 1.212 33.083 31.823 0.080 0.000 0.985 134 V HN 0.956 nan 8.190 nan 0.000 0.438 135 D N 2.284 122.747 120.400 0.105 0.000 2.801 135 D HA 0.329 4.967 4.640 -0.003 0.000 0.277 135 D C 0.255 176.601 176.300 0.076 0.000 1.125 135 D CA -0.687 53.341 54.000 0.046 0.000 1.102 135 D CB 0.700 41.554 40.800 0.090 0.000 1.400 135 D HN 0.274 nan 8.370 nan 0.000 0.601 136 Y N -0.609 119.760 120.300 0.116 0.000 2.561 136 Y HA 0.111 4.659 4.550 -0.003 0.000 0.291 136 Y C 0.601 176.473 175.900 -0.046 0.000 1.141 136 Y CA 1.304 59.435 58.100 0.052 0.000 1.303 136 Y CB 0.087 38.561 38.460 0.023 0.000 1.015 136 Y HN 0.429 nan 8.280 nan 0.000 0.547 137 D N -2.682 117.788 120.400 0.117 0.000 2.502 137 D HA 0.120 4.758 4.640 -0.003 0.000 0.232 137 D C 0.073 176.406 176.300 0.055 0.000 1.137 137 D CA -0.046 53.972 54.000 0.031 0.000 0.827 137 D CB 0.452 41.273 40.800 0.034 0.000 1.141 137 D HN 0.094 nan 8.370 nan 0.000 0.517 138 E N -0.248 120.030 120.200 0.130 0.000 2.317 138 E HA 0.541 4.889 4.350 -0.003 0.000 0.270 138 E C -1.800 174.978 176.600 0.297 0.000 0.885 138 E CA -1.064 55.435 56.400 0.166 0.000 0.760 138 E CB 2.438 32.193 29.700 0.092 0.000 1.227 138 E HN 0.040 nan 8.360 nan 0.000 0.434 139 F N 2.096 122.117 119.950 0.118 0.000 2.573 139 F HA 0.711 5.236 4.527 -0.003 0.000 0.316 139 F C -1.586 174.230 175.800 0.026 0.000 1.148 139 F CA -0.376 57.668 58.000 0.073 0.000 0.940 139 F CB 1.209 40.262 39.000 0.088 0.000 1.214 139 F HN 0.513 nan 8.300 nan 0.000 0.448 140 A N 5.281 127.677 122.820 -0.706 0.000 2.423 140 A HA 0.907 5.225 4.320 -0.003 0.000 0.304 140 A C -2.374 174.667 177.584 -0.904 0.000 1.104 140 A CA -0.786 50.873 52.037 -0.631 0.000 0.757 140 A CB 1.862 20.692 19.000 -0.282 0.000 1.313 140 A HN 1.034 nan 8.150 nan 0.000 0.423 141 L N 0.584 121.481 121.223 -0.543 0.000 2.516 141 L HA 0.807 5.145 4.340 -0.003 0.000 0.267 141 L C -0.360 176.374 176.870 -0.226 0.000 0.957 141 L CA 0.202 54.816 54.840 -0.378 0.000 0.860 141 L CB 1.549 43.472 42.059 -0.228 0.000 1.265 141 L HN 1.332 nan 8.230 nan 0.000 0.403 142 A N 3.682 126.377 122.820 -0.208 0.000 2.435 142 A HA 0.915 5.233 4.320 -0.003 0.000 0.296 142 A C -1.655 175.780 177.584 -0.248 0.000 1.147 142 A CA -0.560 51.351 52.037 -0.210 0.000 0.775 142 A CB 2.101 20.998 19.000 -0.172 0.000 1.340 142 A HN 0.810 nan 8.150 nan 0.000 0.427 143 V N 1.396 121.100 119.914 -0.349 0.000 2.680 143 V HA 0.637 4.755 4.120 -0.003 0.000 0.309 143 V C -1.408 174.531 176.094 -0.258 0.000 1.052 143 V CA -0.732 61.304 62.300 -0.440 0.000 0.908 143 V CB 1.556 32.811 31.823 -0.945 0.000 1.001 143 V HN 0.743 nan 8.190 nan 0.000 0.431 144 L N 5.566 126.725 121.223 -0.108 0.000 2.362 144 L HA 0.814 5.152 4.340 -0.003 0.000 0.275 144 L C 0.189 177.086 176.870 0.044 0.000 0.998 144 L CA -0.198 54.642 54.840 -0.001 0.000 0.820 144 L CB 1.419 43.446 42.059 -0.053 0.000 1.270 144 L HN 0.854 nan 8.230 nan 0.000 0.415 145 A N 2.030 124.834 122.820 -0.027 0.000 2.392 145 A HA 0.733 5.051 4.320 -0.003 0.000 0.283 145 A C 0.998 178.365 177.584 -0.362 0.000 1.197 145 A CA 0.190 52.056 52.037 -0.284 0.000 0.895 145 A CB 0.935 19.492 19.000 -0.739 0.000 1.400 145 A HN 0.795 nan 8.150 nan 0.000 0.461 146 G N -1.063 107.515 108.800 -0.370 0.000 2.484 146 G HA2 -0.032 3.926 3.960 -0.003 0.000 0.218 146 G HA3 -0.032 3.926 3.960 -0.003 0.000 0.218 146 G C 0.807 175.511 174.900 -0.325 0.000 1.130 146 G CA 1.257 46.222 45.100 -0.226 0.000 0.784 146 G HN 0.935 nan 8.290 nan 0.000 0.543 147 H N -1.232 117.554 119.070 -0.473 0.000 2.512 147 H HA 0.461 5.015 4.556 -0.003 0.000 0.276 147 H C 0.554 175.489 175.328 -0.656 0.000 1.126 147 H CA 0.121 55.626 56.048 -0.905 0.000 1.060 147 H CB 0.309 28.994 29.762 -1.795 0.000 1.646 147 H HN 0.294 nan 8.280 nan 0.000 0.571 148 G N 0.606 109.081 108.800 -0.543 0.000 2.340 148 G HA2 0.350 4.308 3.960 -0.003 0.000 0.298 148 G HA3 0.350 4.308 3.960 -0.003 0.000 0.298 148 G C -1.856 173.008 174.900 -0.059 0.000 1.498 148 G CA -0.761 44.172 45.100 -0.280 0.000 0.847 148 G HN 0.307 nan 8.290 nan 0.000 0.594 149 M N 0.505 120.151 119.600 0.076 0.000 2.518 149 M HA 0.860 5.338 4.480 -0.003 0.000 0.300 149 M C -1.597 174.764 176.300 0.101 0.000 1.175 149 M CA -0.883 54.476 55.300 0.097 0.000 0.890 149 M CB 2.419 35.012 32.600 -0.012 0.000 1.710 149 M HN 0.521 nan 8.290 nan 0.000 0.453 150 K N 4.599 124.956 120.400 -0.073 0.000 2.565 150 K HA 0.398 4.716 4.320 -0.003 0.000 0.249 150 K C -1.535 174.941 176.600 -0.206 0.000 0.958 150 K CA -0.686 55.507 56.287 -0.158 0.000 0.806 150 K CB 1.434 33.716 32.500 -0.364 0.000 1.194 150 K HN 0.723 nan 8.250 nan 0.000 0.434 151 I N 6.715 127.207 120.570 -0.130 0.000 2.505 151 I HA -0.009 4.159 4.170 -0.003 0.000 0.287 151 I C 1.157 177.203 176.117 -0.119 0.000 1.104 151 I CA 0.300 61.526 61.300 -0.124 0.000 1.387 151 I CB 0.385 38.335 38.000 -0.084 0.000 1.404 151 I HN 0.752 nan 8.210 nan 0.000 0.528 152 L N 4.503 125.649 121.223 -0.128 0.000 2.463 152 L HA 0.234 4.572 4.340 -0.003 0.000 0.219 152 L C 0.585 177.437 176.870 -0.030 0.000 1.088 152 L CA 0.375 55.164 54.840 -0.084 0.000 0.849 152 L CB 0.213 42.221 42.059 -0.086 0.000 1.012 152 L HN 0.639 nan 8.230 nan 0.000 0.468 153 E N -0.250 119.927 120.200 -0.038 0.000 2.378 153 E HA 0.196 4.544 4.350 -0.003 0.000 0.283 153 E C -1.732 174.858 176.600 -0.017 0.000 0.979 153 E CA -0.388 56.025 56.400 0.022 0.000 0.795 153 E CB 1.897 31.680 29.700 0.140 0.000 1.221 153 E HN -0.100 nan 8.360 nan 0.000 0.428 154 D N 3.009 123.429 120.400 0.033 0.000 2.381 154 D HA 0.277 4.915 4.640 -0.003 0.000 0.245 154 D C -1.586 174.761 176.300 0.078 0.000 1.297 154 D CA -0.121 53.892 54.000 0.021 0.000 0.931 154 D CB 1.160 41.953 40.800 -0.011 0.000 1.334 154 D HN 0.306 nan 8.370 nan 0.000 0.535 155 T N 1.351 115.999 114.554 0.157 0.000 2.856 155 T HA 0.477 4.825 4.350 -0.003 0.000 0.283 155 T C 0.023 174.812 174.700 0.149 0.000 1.008 155 T CA -0.474 61.722 62.100 0.160 0.000 0.997 155 T CB 1.536 70.534 68.868 0.217 0.000 0.992 155 T HN 0.085 nan 8.240 nan 0.000 0.454 156 S N 1.979 117.732 115.700 0.088 0.000 2.565 156 S HA 0.532 5.000 4.470 -0.003 0.000 0.274 156 S C 0.386 175.004 174.600 0.029 0.000 1.309 156 S CA -0.839 57.396 58.200 0.058 0.000 1.043 156 S CB 0.796 64.011 63.200 0.025 0.000 0.939 156 S HN 0.882 nan 8.310 nan 0.000 0.504 157 A N 3.434 126.228 122.820 -0.043 0.000 2.396 157 A HA 0.284 4.602 4.320 -0.003 0.000 0.279 157 A C 0.320 177.772 177.584 -0.220 0.000 1.165 157 A CA -0.357 51.519 52.037 -0.269 0.000 0.824 157 A CB -0.084 18.530 19.000 -0.643 0.000 1.100 157 A HN 0.801 nan 8.150 nan 0.000 0.516 158 R N 2.739 123.135 120.500 -0.173 0.000 2.893 158 R HA 0.311 4.649 4.340 -0.003 0.000 0.243 158 R C -1.031 175.192 176.300 -0.128 0.000 1.481 158 R CA 0.221 56.257 56.100 -0.107 0.000 1.250 158 R CB -0.192 30.078 30.300 -0.050 0.000 1.213 158 R HN 0.638 nan 8.270 nan 0.000 0.609 159 L N 3.507 124.649 121.223 -0.135 0.000 2.341 159 L HA 0.488 4.826 4.340 -0.003 0.000 0.278 159 L C -1.854 174.983 176.870 -0.056 0.000 1.005 159 L CA -2.391 52.386 54.840 -0.104 0.000 0.818 159 L CB 1.827 43.810 42.059 -0.126 0.000 1.259 159 L HN 0.249 nan 8.230 nan 0.000 0.418 160 P HA 0.093 nan 4.420 nan 0.000 0.270 160 P C 0.180 177.464 177.300 -0.026 0.000 1.227 160 P CA -0.325 62.760 63.100 -0.025 0.000 0.788 160 P CB 0.373 32.064 31.700 -0.016 0.000 0.926 161 G N 0.742 109.527 108.800 -0.025 0.000 2.732 161 G HA2 -0.016 3.942 3.960 -0.003 0.000 0.244 161 G HA3 -0.016 3.942 3.960 -0.003 0.000 0.244 161 G C 0.825 175.707 174.900 -0.030 0.000 1.226 161 G CA -0.326 44.757 45.100 -0.029 0.000 0.860 161 G HN 0.674 nan 8.290 nan 0.000 0.583 162 K N -0.705 119.671 120.400 -0.040 0.000 2.288 162 K HA 0.020 4.338 4.320 -0.003 0.000 0.201 162 K C 0.737 177.319 176.600 -0.029 0.000 1.048 162 K CA 1.470 57.730 56.287 -0.044 0.000 0.956 162 K CB 0.229 32.688 32.500 -0.068 0.000 0.746 162 K HN 0.314 nan 8.250 nan 0.000 0.461 163 D N 1.438 121.823 120.400 -0.025 0.000 2.339 163 D HA -0.013 4.625 4.640 -0.003 0.000 0.217 163 D C -0.239 176.053 176.300 -0.013 0.000 1.050 163 D CA 0.214 54.203 54.000 -0.018 0.000 0.856 163 D CB 0.084 40.874 40.800 -0.018 0.000 0.922 163 D HN 0.209 nan 8.370 nan 0.000 0.518 164 D N 0.586 120.979 120.400 -0.013 0.000 2.458 164 D HA -0.026 4.612 4.640 -0.003 0.000 0.243 164 D C -1.434 174.863 176.300 -0.006 0.000 1.146 164 D CA -1.497 52.497 54.000 -0.010 0.000 0.877 164 D CB 1.607 42.401 40.800 -0.011 0.000 1.176 164 D HN -0.089 nan 8.370 nan 0.000 0.461 165 P HA -0.174 nan 4.420 nan 0.000 0.218 165 P C 0.931 178.232 177.300 0.001 0.000 1.150 165 P CA 1.356 64.454 63.100 -0.002 0.000 0.841 165 P CB 0.117 31.816 31.700 -0.002 0.000 0.784 166 S N -2.835 112.865 115.700 0.000 0.000 2.557 166 S HA 0.179 4.647 4.470 -0.003 0.000 0.223 166 S C 1.785 176.390 174.600 0.008 0.000 0.969 166 S CA -0.514 57.688 58.200 0.004 0.000 0.927 166 S CB -0.315 62.886 63.200 0.002 0.000 0.806 166 S HN -0.093 nan 8.310 nan 0.000 0.489 167 R N 2.043 122.547 120.500 0.007 0.000 2.112 167 R HA -0.125 4.213 4.340 -0.003 0.000 0.242 167 R C 1.952 178.270 176.300 0.030 0.000 1.137 167 R CA 2.000 58.108 56.100 0.014 0.000 0.944 167 R CB -0.605 29.700 30.300 0.008 0.000 0.857 167 R HN 0.642 nan 8.270 nan 0.000 0.435 168 E N -0.376 119.841 120.200 0.027 0.000 2.017 168 E HA -0.232 4.116 4.350 -0.003 0.000 0.193 168 E C 2.211 178.833 176.600 0.037 0.000 0.997 168 E CA 1.865 58.286 56.400 0.035 0.000 0.804 168 E CB -0.109 29.607 29.700 0.026 0.000 0.757 168 E HN 0.542 nan 8.360 nan 0.000 0.448 169 Q N 0.909 120.724 119.800 0.025 0.000 2.234 169 Q HA -0.226 4.112 4.340 -0.003 0.000 0.206 169 Q C 1.735 177.754 176.000 0.031 0.000 0.980 169 Q CA 1.962 57.779 55.803 0.023 0.000 0.869 169 Q CB -0.501 28.245 28.738 0.014 0.000 0.912 169 Q HN 0.128 nan 8.270 nan 0.000 0.436 170 E N -0.413 119.808 120.200 0.035 0.000 2.230 170 E HA -0.024 4.324 4.350 -0.003 0.000 0.192 170 E C 1.998 178.644 176.600 0.076 0.000 0.987 170 E CA 1.194 57.617 56.400 0.039 0.000 0.841 170 E CB 0.357 30.067 29.700 0.017 0.000 0.783 170 E HN 0.661 nan 8.360 nan 0.000 0.481 171 V N -1.647 118.326 119.914 0.098 0.000 2.878 171 V HA 0.073 4.191 4.120 -0.003 0.000 0.250 171 V C 1.987 178.163 176.094 0.136 0.000 1.075 171 V CA 1.804 64.208 62.300 0.172 0.000 1.096 171 V CB -0.443 31.495 31.823 0.192 0.000 0.724 171 V HN 0.205 nan 8.190 nan 0.000 0.467 172 E N 1.185 121.430 120.200 0.076 0.000 2.110 172 E HA -0.249 4.099 4.350 -0.003 0.000 0.193 172 E C 2.141 178.755 176.600 0.023 0.000 0.988 172 E CA 1.868 58.290 56.400 0.036 0.000 0.804 172 E CB -0.693 29.021 29.700 0.024 0.000 0.745 172 E HN 0.773 nan 8.360 nan 0.000 0.458 173 K N -1.513 118.913 120.400 0.043 0.000 2.097 173 K HA -0.042 4.276 4.320 -0.003 0.000 0.205 173 K C 2.172 178.796 176.600 0.040 0.000 1.050 173 K CA 1.201 57.505 56.287 0.028 0.000 0.938 173 K CB -0.260 32.260 32.500 0.033 0.000 0.718 173 K HN 0.614 nan 8.250 nan 0.000 0.442 174 Y N 1.252 121.511 120.300 -0.067 0.000 2.200 174 Y HA -0.257 4.291 4.550 -0.003 0.000 0.290 174 Y C 2.107 177.922 175.900 -0.143 0.000 1.137 174 Y CA 1.263 59.302 58.100 -0.102 0.000 1.163 174 Y CB 0.034 38.451 38.460 -0.071 0.000 0.988 174 Y HN -0.073 nan 8.280 nan 0.000 0.518 175 V N -1.303 118.472 119.914 -0.231 0.000 2.358 175 V HA -0.201 3.916 4.120 -0.003 0.000 0.246 175 V C 1.810 177.751 176.094 -0.255 0.000 1.047 175 V CA 2.264 64.372 62.300 -0.321 0.000 1.035 175 V CB -0.701 31.020 31.823 -0.170 0.000 0.658 175 V HN 0.302 nan 8.190 nan 0.000 0.452 176 D N 0.494 120.801 120.400 -0.156 0.000 2.106 176 D HA -0.181 4.457 4.640 -0.003 0.000 0.191 176 D C 2.386 178.590 176.300 -0.161 0.000 0.997 176 D CA 2.086 56.012 54.000 -0.123 0.000 0.834 176 D CB -0.375 40.382 40.800 -0.072 0.000 0.956 176 D HN 0.455 nan 8.370 nan 0.000 0.448 177 R N 0.235 120.627 120.500 -0.181 0.000 2.096 177 R HA -0.156 4.182 4.340 -0.003 0.000 0.240 177 R C 2.234 178.333 176.300 -0.335 0.000 1.139 177 R CA 1.535 57.510 56.100 -0.207 0.000 0.952 177 R CB -0.265 29.929 30.300 -0.177 0.000 0.854 177 R HN 0.140 nan 8.270 nan 0.000 0.436 178 A N 0.631 123.128 122.820 -0.539 0.000 1.877 178 A HA -0.128 4.190 4.320 -0.003 0.000 0.216 178 A C 2.337 179.741 177.584 -0.300 0.000 1.186 178 A CA 1.701 53.285 52.037 -0.755 0.000 0.620 178 A CB -0.805 17.624 19.000 -0.953 0.000 0.822 178 A HN 0.464 nan 8.150 nan 0.000 0.443 179 A N -0.083 122.608 122.820 -0.214 0.000 1.892 179 A HA -0.262 4.056 4.320 -0.003 0.000 0.218 179 A C 2.169 179.707 177.584 -0.076 0.000 1.188 179 A CA 2.316 54.289 52.037 -0.106 0.000 0.631 179 A CB -0.561 18.381 19.000 -0.097 0.000 0.822 179 A HN 0.579 nan 8.150 nan 0.000 0.447 180 K N -1.098 119.245 120.400 -0.095 0.000 2.097 180 K HA -0.197 4.121 4.320 -0.003 0.000 0.206 180 K C 2.293 178.867 176.600 -0.042 0.000 1.049 180 K CA 1.568 57.818 56.287 -0.062 0.000 0.933 180 K CB -0.123 32.337 32.500 -0.067 0.000 0.717 180 K HN 0.277 nan 8.250 nan 0.000 0.442 181 R N 1.009 121.474 120.500 -0.058 0.000 2.075 181 R HA 0.015 4.353 4.340 -0.003 0.000 0.232 181 R C 2.005 178.340 176.300 0.059 0.000 1.126 181 R CA 1.372 57.471 56.100 -0.001 0.000 0.963 181 R CB -0.344 29.940 30.300 -0.027 0.000 0.858 181 R HN 0.276 nan 8.270 nan 0.000 0.435 182 I N -0.575 120.036 120.570 0.068 0.000 2.252 182 I HA -0.235 3.933 4.170 -0.003 0.000 0.245 182 I C 1.991 178.128 176.117 0.033 0.000 1.102 182 I CA 0.922 62.264 61.300 0.071 0.000 1.385 182 I CB -0.220 37.822 38.000 0.069 0.000 1.064 182 I HN -0.038 nan 8.210 nan 0.000 0.414 183 V N 0.778 120.699 119.914 0.013 0.000 2.295 183 V HA -0.292 3.826 4.120 -0.003 0.000 0.246 183 V C 2.373 178.473 176.094 0.010 0.000 1.049 183 V CA 1.951 64.254 62.300 0.005 0.000 1.024 183 V CB -0.710 31.109 31.823 -0.007 0.000 0.648 183 V HN 0.428 nan 8.190 nan 0.000 0.447 184 E N -0.272 119.932 120.200 0.008 0.000 2.049 184 E HA -0.255 4.093 4.350 -0.003 0.000 0.198 184 E C 2.336 178.948 176.600 0.021 0.000 1.007 184 E CA 1.565 57.969 56.400 0.007 0.000 0.809 184 E CB -0.164 29.539 29.700 0.004 0.000 0.749 184 E HN 0.564 nan 8.360 nan 0.000 0.450 185 E N 0.123 120.352 120.200 0.048 0.000 2.106 185 E HA -0.116 4.232 4.350 -0.003 0.000 0.192 185 E C 1.980 178.664 176.600 0.139 0.000 0.984 185 E CA 0.898 57.363 56.400 0.108 0.000 0.806 185 E CB -0.221 29.535 29.700 0.095 0.000 0.750 185 E HN 0.246 nan 8.360 nan 0.000 0.458 186 A N 1.119 123.982 122.820 0.071 0.000 2.070 186 A HA -0.009 4.309 4.320 -0.003 0.000 0.220 186 A C 2.267 179.883 177.584 0.053 0.000 1.159 186 A CA 1.675 53.748 52.037 0.059 0.000 0.656 186 A CB -0.251 18.766 19.000 0.029 0.000 0.800 186 A HN 0.247 nan 8.150 nan 0.000 0.453 187 A N -0.205 122.633 122.820 0.031 0.000 1.850 187 A HA 0.029 4.347 4.320 -0.003 0.000 0.212 187 A C 2.136 179.707 177.584 -0.021 0.000 1.208 187 A CA 1.218 53.258 52.037 0.006 0.000 0.609 187 A CB -0.512 18.484 19.000 -0.006 0.000 0.860 187 A HN 0.478 nan 8.150 nan 0.000 0.448 188 R N -0.834 119.628 120.500 -0.064 0.000 2.154 188 R HA -0.240 4.098 4.340 -0.003 0.000 0.248 188 R C 1.148 177.262 176.300 -0.310 0.000 1.155 188 R CA 2.264 58.244 56.100 -0.200 0.000 0.979 188 R CB -0.348 29.787 30.300 -0.275 0.000 0.869 188 R HN 0.727 nan 8.270 nan 0.000 0.452 189 H N -1.736 117.330 119.070 -0.008 0.000 2.652 189 H HA 0.317 4.871 4.556 -0.003 0.000 0.274 189 H C 0.317 175.659 175.328 0.023 0.000 1.021 189 H CA 0.629 56.683 56.048 0.010 0.000 1.187 189 H CB 1.080 30.833 29.762 -0.016 0.000 1.505 189 H HN 0.329 nan 8.280 nan 0.000 0.530 190 R N 0.721 121.274 120.500 0.088 0.000 3.336 190 R HA -0.180 4.158 4.340 -0.003 0.000 0.260 190 R C -0.094 176.247 176.300 0.068 0.000 1.032 190 R CA 0.706 56.843 56.100 0.062 0.000 0.693 190 R CB -3.565 26.768 30.300 0.055 0.000 1.134 190 R HN 0.300 nan 8.270 nan 0.000 0.433 191 S N 1.733 117.474 115.700 0.067 0.000 2.513 191 S HA 0.503 4.971 4.470 -0.003 0.000 0.276 191 S C -0.748 173.869 174.600 0.027 0.000 1.254 191 S CA -0.606 57.622 58.200 0.046 0.000 1.053 191 S CB 1.891 65.112 63.200 0.035 0.000 0.958 191 S HN 0.581 nan 8.310 nan 0.000 0.491 192 P HA 0.199 nan 4.420 nan 0.000 0.227 192 P C -0.187 177.117 177.300 0.006 0.000 1.161 192 P CA 0.622 63.730 63.100 0.013 0.000 0.788 192 P CB 0.229 31.937 31.700 0.013 0.000 0.822 193 I N -0.373 120.199 120.570 0.003 0.000 2.582 193 I HA 0.560 4.728 4.170 -0.003 0.000 0.292 193 I C -0.724 175.387 176.117 -0.010 0.000 1.066 193 I CA -1.174 60.123 61.300 -0.005 0.000 1.053 193 I CB 2.436 40.431 38.000 -0.008 0.000 1.241 193 I HN -0.214 nan 8.210 nan 0.000 0.421 194 A N 5.655 128.468 122.820 -0.012 0.000 2.356 194 A HA 0.817 5.135 4.320 -0.003 0.000 0.310 194 A C -1.095 176.476 177.584 -0.022 0.000 1.075 194 A CA -0.554 51.472 52.037 -0.018 0.000 0.746 194 A CB 1.537 20.530 19.000 -0.011 0.000 1.221 194 A HN 0.403 nan 8.150 nan 0.000 0.443 195 V N 3.813 123.708 119.914 -0.031 0.000 2.398 195 V HA 0.408 4.526 4.120 -0.003 0.000 0.286 195 V C -0.321 175.751 176.094 -0.037 0.000 1.026 195 V CA -0.143 62.137 62.300 -0.033 0.000 0.868 195 V CB 1.217 33.018 31.823 -0.038 0.000 0.982 195 V HN 0.721 nan 8.190 nan 0.000 0.443 196 I N 4.775 125.328 120.570 -0.029 0.000 2.390 196 I HA 0.662 4.830 4.170 -0.003 0.000 0.283 196 I C 0.389 176.489 176.117 -0.028 0.000 1.016 196 I CA -0.264 61.020 61.300 -0.026 0.000 1.151 196 I CB 1.513 39.505 38.000 -0.013 0.000 1.293 196 I HN 0.681 nan 8.210 nan 0.000 0.458 197 A N 4.705 127.501 122.820 -0.039 0.000 2.269 197 A HA 1.026 5.344 4.320 -0.003 0.000 0.327 197 A C 0.163 177.731 177.584 -0.025 0.000 1.112 197 A CA -0.236 51.781 52.037 -0.033 0.000 0.865 197 A CB 1.458 20.432 19.000 -0.043 0.000 1.227 197 A HN 0.918 nan 8.150 nan 0.000 0.498 198 G N -1.269 107.522 108.800 -0.016 0.000 2.347 198 G HA2 0.389 4.347 3.960 -0.003 0.000 0.321 198 G HA3 0.389 4.347 3.960 -0.003 0.000 0.321 198 G C -3.664 171.239 174.900 0.006 0.000 1.412 198 G CA -0.741 44.356 45.100 -0.005 0.000 0.990 198 G HN 0.597 nan 8.290 nan 0.000 0.637 199 P HA 0.508 nan 4.420 nan 0.000 0.287 199 P C 1.048 178.375 177.300 0.044 0.000 1.281 199 P CA 1.528 64.652 63.100 0.041 0.000 0.781 199 P CB 1.173 32.916 31.700 0.071 0.000 0.903 200 G N 3.866 112.692 108.800 0.042 0.000 2.527 200 G HA2 -0.328 3.630 3.960 -0.003 0.000 0.268 200 G HA3 -0.328 3.630 3.960 -0.003 0.000 0.268 200 G C 0.822 175.740 174.900 0.029 0.000 1.175 200 G CA 0.122 45.252 45.100 0.050 0.000 0.962 200 G HN 0.453 nan 8.290 nan 0.000 0.560 201 Q N -0.272 119.552 119.800 0.040 0.000 2.269 201 Q HA 0.297 4.635 4.340 -0.003 0.000 0.201 201 Q C 2.954 178.942 176.000 -0.020 0.000 0.946 201 Q CA 0.766 56.581 55.803 0.020 0.000 0.877 201 Q CB 0.051 28.818 28.738 0.047 0.000 0.963 201 Q HN 0.547 nan 8.270 nan 0.000 0.472 202 L N 1.473 122.654 121.223 -0.070 0.000 2.013 202 L HA -0.287 4.051 4.340 -0.003 0.000 0.212 202 L C 2.534 179.352 176.870 -0.088 0.000 1.073 202 L CA 1.878 56.641 54.840 -0.127 0.000 0.753 202 L CB -0.539 41.368 42.059 -0.252 0.000 0.890 202 L HN 0.282 nan 8.230 nan 0.000 0.432 203 K N -0.599 119.766 120.400 -0.060 0.000 2.152 203 K HA -0.202 4.116 4.320 -0.003 0.000 0.206 203 K C 1.858 178.438 176.600 -0.034 0.000 1.048 203 K CA 1.932 58.195 56.287 -0.040 0.000 0.933 203 K CB -0.591 31.894 32.500 -0.024 0.000 0.721 203 K HN 0.368 nan 8.250 nan 0.000 0.447 204 T N -1.920 112.617 114.554 -0.028 0.000 3.035 204 T HA 0.103 4.451 4.350 -0.003 0.000 0.259 204 T C 1.917 176.602 174.700 -0.025 0.000 1.078 204 T CA 0.780 62.867 62.100 -0.021 0.000 1.132 204 T CB -0.092 68.769 68.868 -0.010 0.000 0.900 204 T HN 0.216 nan 8.240 nan 0.000 0.480 205 S N 1.082 116.762 115.700 -0.033 0.000 2.356 205 S HA -0.045 4.423 4.470 -0.003 0.000 0.223 205 S C 2.102 176.670 174.600 -0.054 0.000 1.032 205 S CA 1.282 59.459 58.200 -0.038 0.000 1.005 205 S CB -0.632 62.544 63.200 -0.040 0.000 0.867 205 S HN 0.385 nan 8.310 nan 0.000 0.449 206 V N 2.056 121.926 119.914 -0.075 0.000 2.255 206 V HA -0.250 3.868 4.120 -0.003 0.000 0.247 206 V C 2.668 178.731 176.094 -0.051 0.000 1.051 206 V CA 1.894 64.144 62.300 -0.084 0.000 1.018 206 V CB -1.207 30.561 31.823 -0.092 0.000 0.641 206 V HN 0.551 nan 8.190 nan 0.000 0.445 207 A N -0.788 122.011 122.820 -0.036 0.000 1.902 207 A HA -0.271 4.047 4.320 -0.003 0.000 0.217 207 A C 2.140 179.711 177.584 -0.022 0.000 1.181 207 A CA 1.975 53.997 52.037 -0.024 0.000 0.623 207 A CB -0.574 18.415 19.000 -0.018 0.000 0.818 207 A HN 0.635 nan 8.150 nan 0.000 0.443 208 E N -0.151 120.035 120.200 -0.023 0.000 2.097 208 E HA -0.240 4.108 4.350 -0.003 0.000 0.196 208 E C 2.044 178.631 176.600 -0.022 0.000 1.000 208 E CA 1.685 58.074 56.400 -0.019 0.000 0.804 208 E CB -0.149 29.540 29.700 -0.018 0.000 0.740 208 E HN 0.622 nan 8.360 nan 0.000 0.454 209 K N 0.295 120.677 120.400 -0.030 0.000 2.103 209 K HA -0.081 4.237 4.320 -0.003 0.000 0.204 209 K C 2.401 178.983 176.600 -0.029 0.000 1.052 209 K CA 1.234 57.501 56.287 -0.033 0.000 0.945 209 K CB -0.136 32.337 32.500 -0.046 0.000 0.722 209 K HN 0.136 nan 8.250 nan 0.000 0.443 210 V N 0.263 120.160 119.914 -0.028 0.000 2.548 210 V HA -0.174 3.944 4.120 -0.003 0.000 0.249 210 V C 2.094 178.180 176.094 -0.014 0.000 1.055 210 V CA 1.339 63.627 62.300 -0.020 0.000 1.065 210 V CB -0.187 31.628 31.823 -0.014 0.000 0.681 210 V HN 0.205 nan 8.190 nan 0.000 0.462 211 Q N 0.544 120.336 119.800 -0.014 0.000 2.030 211 Q HA -0.202 4.136 4.340 -0.003 0.000 0.204 211 Q C 2.514 178.508 176.000 -0.010 0.000 0.986 211 Q CA 2.396 58.193 55.803 -0.010 0.000 0.843 211 Q CB -0.431 28.301 28.738 -0.010 0.000 0.904 211 Q HN 0.661 nan 8.270 nan 0.000 0.420 212 R N -0.223 120.269 120.500 -0.012 0.000 2.096 212 R HA -0.174 4.164 4.340 -0.003 0.000 0.240 212 R C 2.208 178.502 176.300 -0.011 0.000 1.139 212 R CA 1.397 57.490 56.100 -0.011 0.000 0.952 212 R CB -0.364 29.928 30.300 -0.013 0.000 0.854 212 R HN 0.254 nan 8.270 nan 0.000 0.436 213 A N 0.749 123.561 122.820 -0.013 0.000 1.877 213 A HA -0.098 4.220 4.320 -0.003 0.000 0.216 213 A C 1.309 178.888 177.584 -0.009 0.000 1.186 213 A CA 1.235 53.265 52.037 -0.012 0.000 0.620 213 A CB -0.037 18.954 19.000 -0.015 0.000 0.822 213 A HN 0.225 nan 8.150 nan 0.000 0.443 214 M N -0.428 119.167 119.600 -0.007 0.000 2.386 214 M HA 0.238 4.716 4.480 -0.003 0.000 0.245 214 M C -2.285 174.012 176.300 -0.004 0.000 0.982 214 M CA -1.614 53.684 55.300 -0.004 0.000 0.860 214 M CB 1.585 34.184 32.600 -0.002 0.000 1.371 214 M HN -0.012 nan 8.290 nan 0.000 0.425 215 P HA -0.137 nan 4.420 nan 0.000 0.220 215 P C 1.360 178.659 177.300 -0.002 0.000 1.144 215 P CA 1.278 64.376 63.100 -0.003 0.000 0.800 215 P CB 0.281 31.979 31.700 -0.003 0.000 0.772 216 S N -1.597 114.103 115.700 -0.001 0.000 2.458 216 S HA 0.042 4.510 4.470 -0.003 0.000 0.223 216 S C 0.775 175.376 174.600 0.001 0.000 1.019 216 S CA -0.327 57.873 58.200 0.001 0.000 0.937 216 S CB -0.674 62.527 63.200 0.002 0.000 0.788 216 S HN -0.043 nan 8.310 nan 0.000 0.511 217 L N 3.130 124.354 121.223 0.001 0.000 2.490 217 L HA 0.248 4.586 4.340 -0.003 0.000 0.274 217 L C 0.128 176.997 176.870 -0.001 0.000 1.201 217 L CA 0.399 55.240 54.840 0.001 0.000 0.869 217 L CB 0.234 42.294 42.059 0.001 0.000 1.123 217 L HN 0.021 nan 8.230 nan 0.000 0.484 218 K N 4.080 124.480 120.400 -0.000 0.000 2.312 218 K HA 0.429 4.747 4.320 -0.003 0.000 0.287 218 K C -1.533 175.064 176.600 -0.005 0.000 1.062 218 K CA -0.497 55.788 56.287 -0.002 0.000 0.934 218 K CB 0.609 33.107 32.500 -0.002 0.000 1.027 218 K HN 0.519 nan 8.250 nan 0.000 0.478 219 V N 3.825 123.735 119.914 -0.006 0.000 2.376 219 V HA 0.483 4.601 4.120 -0.003 0.000 0.287 219 V C -0.568 175.521 176.094 -0.009 0.000 1.015 219 V CA -0.865 61.430 62.300 -0.008 0.000 0.834 219 V CB 1.185 33.003 31.823 -0.008 0.000 1.001 219 V HN 0.914 nan 8.190 nan 0.000 0.428 220 A N 3.630 126.443 122.820 -0.011 0.000 2.318 220 A HA 0.861 5.179 4.320 -0.003 0.000 0.324 220 A C 0.277 177.852 177.584 -0.014 0.000 1.170 220 A CA -0.485 51.545 52.037 -0.012 0.000 0.810 220 A CB 1.154 20.147 19.000 -0.012 0.000 1.198 220 A HN 0.832 nan 8.150 nan 0.000 0.484 221 T N -0.579 113.967 114.554 -0.012 0.000 2.928 221 T HA 0.695 5.043 4.350 -0.003 0.000 0.284 221 T C -0.304 174.389 174.700 -0.012 0.000 1.008 221 T CA -0.628 61.464 62.100 -0.013 0.000 1.057 221 T CB 1.274 70.136 68.868 -0.011 0.000 1.018 221 T HN 0.758 nan 8.240 nan 0.000 0.493 222 V N 1.460 121.366 119.914 -0.014 0.000 2.733 222 V HA 0.352 4.470 4.120 -0.003 0.000 0.306 222 V C -0.818 175.270 176.094 -0.009 0.000 1.084 222 V CA -1.176 61.117 62.300 -0.012 0.000 0.905 222 V CB 2.026 33.839 31.823 -0.016 0.000 1.010 222 V HN 0.912 nan 8.190 nan 0.000 0.424 223 D N 2.098 122.496 120.400 -0.004 0.000 2.382 223 D HA 0.541 5.179 4.640 -0.003 0.000 0.245 223 D C 0.074 176.373 176.300 -0.001 0.000 1.120 223 D CA 0.742 54.742 54.000 0.000 0.000 0.890 223 D CB 1.591 42.394 40.800 0.004 0.000 1.201 223 D HN 0.646 nan 8.370 nan 0.000 0.433 224 T N -0.758 113.798 114.554 0.002 0.000 2.886 224 T HA 0.150 4.498 4.350 -0.003 0.000 0.330 224 T C 1.012 175.717 174.700 0.009 0.000 1.488 224 T CA -0.442 61.659 62.100 0.001 0.000 1.054 224 T CB 1.219 70.082 68.868 -0.009 0.000 1.348 224 T HN 0.232 nan 8.240 nan 0.000 0.489 225 S N 2.807 118.513 115.700 0.010 0.000 2.428 225 S HA 0.120 4.588 4.470 -0.003 0.000 0.230 225 S C 0.829 175.444 174.600 0.025 0.000 1.014 225 S CA 0.511 58.722 58.200 0.019 0.000 0.957 225 S CB -0.480 62.730 63.200 0.015 0.000 0.784 225 S HN 0.713 nan 8.310 nan 0.000 0.499 226 M N -1.023 118.587 119.600 0.017 0.000 2.664 226 M HA 0.798 5.276 4.480 -0.003 0.000 0.279 226 M C 0.454 176.762 176.300 0.013 0.000 1.275 226 M CA -0.949 54.365 55.300 0.024 0.000 0.829 226 M CB 1.115 33.727 32.600 0.020 0.000 1.727 226 M HN -0.019 nan 8.290 nan 0.000 0.459 227 G N -0.196 108.620 108.800 0.027 0.000 2.504 227 G HA2 0.624 4.582 3.960 -0.003 0.000 0.257 227 G HA3 0.624 4.582 3.960 -0.003 0.000 0.257 227 G C 0.279 175.171 174.900 -0.013 0.000 1.451 227 G CA -0.270 44.840 45.100 0.016 0.000 1.059 227 G HN 1.417 nan 8.290 nan 0.000 0.550 228 G N -2.328 106.452 108.800 -0.034 0.000 2.726 228 G HA2 -0.122 3.836 3.960 -0.003 0.000 0.261 228 G HA3 -0.122 3.836 3.960 -0.003 0.000 0.261 228 G C 1.038 175.885 174.900 -0.089 0.000 1.352 228 G CA 0.329 45.392 45.100 -0.061 0.000 0.906 228 G HN 1.308 nan 8.290 nan 0.000 0.566 229 V N 0.610 120.478 119.914 -0.077 0.000 2.392 229 V HA -0.097 4.021 4.120 -0.003 0.000 0.249 229 V C 3.371 179.432 176.094 -0.056 0.000 1.059 229 V CA 3.318 65.573 62.300 -0.076 0.000 1.051 229 V CB -1.342 30.446 31.823 -0.059 0.000 0.658 229 V HN 1.546 nan 8.190 nan 0.000 0.455 230 A N 0.556 123.354 122.820 -0.038 0.000 1.972 230 A HA -0.059 4.259 4.320 -0.003 0.000 0.219 230 A C 2.388 179.955 177.584 -0.030 0.000 1.169 230 A CA 1.830 53.851 52.037 -0.026 0.000 0.635 230 A CB -0.980 18.012 19.000 -0.013 0.000 0.810 230 A HN 0.531 nan 8.150 nan 0.000 0.446 231 G N -0.778 107.999 108.800 -0.037 0.000 2.403 231 G HA2 -0.012 3.946 3.960 -0.003 0.000 0.216 231 G HA3 -0.012 3.946 3.960 -0.003 0.000 0.216 231 G C 1.474 176.342 174.900 -0.055 0.000 1.154 231 G CA 1.037 46.114 45.100 -0.039 0.000 0.784 231 G HN 0.282 nan 8.290 nan 0.000 0.538 232 V N 0.573 120.441 119.914 -0.077 0.000 2.295 232 V HA -0.150 3.968 4.120 -0.003 0.000 0.246 232 V C 2.856 178.913 176.094 -0.062 0.000 1.049 232 V CA 2.062 64.310 62.300 -0.086 0.000 1.024 232 V CB -0.432 31.322 31.823 -0.114 0.000 0.648 232 V HN 0.254 nan 8.190 nan 0.000 0.447 233 R N -0.505 119.964 120.500 -0.051 0.000 2.148 233 R HA -0.147 4.191 4.340 -0.003 0.000 0.227 233 R C 2.333 178.616 176.300 -0.028 0.000 1.103 233 R CA 1.373 57.451 56.100 -0.037 0.000 0.983 233 R CB -0.144 30.138 30.300 -0.030 0.000 0.874 233 R HN 0.682 nan 8.270 nan 0.000 0.451 234 E N -0.300 119.884 120.200 -0.027 0.000 2.051 234 E HA -0.119 4.229 4.350 -0.003 0.000 0.189 234 E C 1.804 178.391 176.600 -0.021 0.000 0.979 234 E CA 0.918 57.306 56.400 -0.019 0.000 0.803 234 E CB -0.037 29.654 29.700 -0.015 0.000 0.761 234 E HN 0.351 nan 8.360 nan 0.000 0.451 235 A N 1.392 124.195 122.820 -0.029 0.000 1.940 235 A HA -0.142 4.176 4.320 -0.003 0.000 0.219 235 A C 2.171 179.738 177.584 -0.029 0.000 1.176 235 A CA 0.948 52.967 52.037 -0.029 0.000 0.631 235 A CB -0.717 18.260 19.000 -0.039 0.000 0.814 235 A HN 0.354 nan 8.150 nan 0.000 0.446 236 L N -1.640 119.563 121.223 -0.034 0.000 2.549 236 L HA -0.125 4.213 4.340 -0.003 0.000 0.230 236 L C 2.242 179.098 176.870 -0.023 0.000 1.162 236 L CA 1.007 55.828 54.840 -0.032 0.000 0.834 236 L CB -0.188 41.849 42.059 -0.037 0.000 0.947 236 L HN 0.377 nan 8.230 nan 0.000 0.452 237 R N -1.802 118.687 120.500 -0.018 0.000 2.446 237 R HA 0.164 4.502 4.340 -0.003 0.000 0.254 237 R C 0.386 176.680 176.300 -0.009 0.000 0.918 237 R CA -0.361 55.732 56.100 -0.012 0.000 1.069 237 R CB 0.498 30.793 30.300 -0.009 0.000 1.194 237 R HN 0.091 nan 8.270 nan 0.000 0.534 238 R N 1.341 121.834 120.500 -0.011 0.000 2.694 238 R HA 0.008 4.346 4.340 -0.003 0.000 0.268 238 R C 0.811 177.106 176.300 -0.008 0.000 1.061 238 R CA 0.067 56.162 56.100 -0.009 0.000 1.133 238 R CB 0.563 30.857 30.300 -0.010 0.000 1.020 238 R HN 0.174 nan 8.270 nan 0.000 0.475 239 E N 1.021 121.218 120.200 -0.006 0.000 2.106 239 E HA -0.148 4.200 4.350 -0.003 0.000 0.192 239 E C 1.689 178.286 176.600 -0.006 0.000 0.984 239 E CA 1.746 58.144 56.400 -0.005 0.000 0.806 239 E CB 0.241 29.940 29.700 -0.003 0.000 0.750 239 E HN 0.648 nan 8.360 nan 0.000 0.458 240 S N -0.105 115.591 115.700 -0.006 0.000 2.382 240 S HA -0.104 4.364 4.470 -0.003 0.000 0.228 240 S C 2.149 176.744 174.600 -0.010 0.000 1.027 240 S CA 1.166 59.362 58.200 -0.007 0.000 0.991 240 S CB -0.487 62.709 63.200 -0.007 0.000 0.823 240 S HN 0.057 nan 8.310 nan 0.000 0.469 241 V N 3.002 122.908 119.914 -0.012 0.000 2.453 241 V HA -0.108 4.010 4.120 -0.003 0.000 0.247 241 V C 3.098 179.183 176.094 -0.015 0.000 1.048 241 V CA 1.888 64.178 62.300 -0.016 0.000 1.049 241 V CB -1.516 30.295 31.823 -0.021 0.000 0.672 241 V HN 0.848 nan 8.190 nan 0.000 0.457 242 T N -0.898 113.648 114.554 -0.013 0.000 2.962 242 T HA -0.140 4.208 4.350 -0.003 0.000 0.270 242 T C 1.860 176.555 174.700 -0.008 0.000 1.088 242 T CA 0.940 63.033 62.100 -0.011 0.000 1.127 242 T CB -0.238 68.625 68.868 -0.009 0.000 0.883 242 T HN 0.503 nan 8.240 nan 0.000 0.493 243 R N 0.935 121.431 120.500 -0.007 0.000 2.052 243 R HA 0.250 4.588 4.340 -0.003 0.000 0.226 243 R C 2.539 178.836 176.300 -0.006 0.000 1.145 243 R CA 1.121 57.218 56.100 -0.005 0.000 0.952 243 R CB -0.795 29.503 30.300 -0.004 0.000 0.847 243 R HN 0.336 nan 8.270 nan 0.000 0.431 244 I N 1.287 121.852 120.570 -0.008 0.000 2.143 244 I HA -0.283 3.885 4.170 -0.003 0.000 0.245 244 I C 1.396 177.507 176.117 -0.010 0.000 1.068 244 I CA 1.311 62.606 61.300 -0.008 0.000 1.326 244 I CB -0.136 37.857 38.000 -0.011 0.000 1.028 244 I HN 0.078 nan 8.210 nan 0.000 0.412 245 L N 0.966 122.182 121.223 -0.013 0.000 2.741 245 L HA 0.100 4.438 4.340 -0.003 0.000 0.237 245 L C 2.067 178.929 176.870 -0.013 0.000 1.178 245 L CA 0.654 55.485 54.840 -0.016 0.000 0.973 245 L CB -0.784 41.261 42.059 -0.023 0.000 1.255 245 L HN 0.248 nan 8.230 nan 0.000 0.498 246 R N -0.804 119.691 120.500 -0.008 0.000 2.193 246 R HA -0.088 4.250 4.340 -0.003 0.000 0.229 246 R C 0.935 177.233 176.300 -0.002 0.000 1.110 246 R CA 1.141 57.238 56.100 -0.005 0.000 0.988 246 R CB -0.240 30.058 30.300 -0.002 0.000 0.871 246 R HN 0.372 nan 8.270 nan 0.000 0.458 247 E N 0.684 120.883 120.200 -0.002 0.000 2.502 247 E HA 0.028 4.376 4.350 -0.003 0.000 0.194 247 E C -0.481 176.119 176.600 0.001 0.000 1.062 247 E CA -0.065 56.337 56.400 0.003 0.000 0.867 247 E CB 0.231 29.934 29.700 0.006 0.000 0.888 247 E HN 0.141 nan 8.360 nan 0.000 0.510 248 L N 0.859 122.075 121.223 -0.011 0.000 2.265 248 L HA 0.086 4.424 4.340 -0.003 0.000 0.288 248 L C 1.305 178.163 176.870 -0.019 0.000 1.058 248 L CA 0.363 55.187 54.840 -0.027 0.000 0.809 248 L CB 1.447 43.478 42.059 -0.046 0.000 1.179 248 L HN -0.143 nan 8.230 nan 0.000 0.429 249 S N 3.593 119.288 115.700 -0.008 0.000 2.365 249 S HA -0.221 4.247 4.470 -0.003 0.000 0.225 249 S C 1.785 176.384 174.600 -0.002 0.000 1.039 249 S CA 2.068 60.277 58.200 0.015 0.000 1.033 249 S CB -0.381 62.858 63.200 0.065 0.000 0.887 249 S HN 0.758 nan 8.310 nan 0.000 0.447 250 I N -0.487 120.062 120.570 -0.035 0.000 2.614 250 I HA -0.042 4.126 4.170 -0.003 0.000 0.258 250 I C 1.808 177.908 176.117 -0.029 0.000 1.189 250 I CA 0.842 62.120 61.300 -0.037 0.000 1.462 250 I CB -0.501 37.457 38.000 -0.069 0.000 1.092 250 I HN 0.074 nan 8.210 nan 0.000 0.442 251 V N 1.540 121.436 119.914 -0.030 0.000 2.346 251 V HA -0.194 3.924 4.120 -0.003 0.000 0.244 251 V C 2.677 178.763 176.094 -0.013 0.000 1.037 251 V CA 2.084 64.370 62.300 -0.023 0.000 1.029 251 V CB -0.703 31.105 31.823 -0.025 0.000 0.663 251 V HN 0.510 nan 8.190 nan 0.000 0.454 252 E N 0.704 120.900 120.200 -0.008 0.000 2.118 252 E HA -0.242 4.106 4.350 -0.003 0.000 0.195 252 E C 2.156 178.754 176.600 -0.002 0.000 0.992 252 E CA 1.373 57.771 56.400 -0.002 0.000 0.804 252 E CB -0.196 29.506 29.700 0.004 0.000 0.741 252 E HN 0.553 nan 8.360 nan 0.000 0.458 253 A N 0.861 123.680 122.820 -0.003 0.000 2.024 253 A HA -0.223 4.095 4.320 -0.003 0.000 0.220 253 A C 1.961 179.538 177.584 -0.012 0.000 1.164 253 A CA 1.743 53.776 52.037 -0.007 0.000 0.643 253 A CB -0.461 18.537 19.000 -0.002 0.000 0.806 253 A HN 0.317 nan 8.150 nan 0.000 0.451 254 E N -0.105 120.089 120.200 -0.009 0.000 2.152 254 E HA 0.005 4.353 4.350 -0.003 0.000 0.192 254 E C 1.925 178.524 176.600 -0.002 0.000 0.983 254 E CA 1.244 57.640 56.400 -0.007 0.000 0.818 254 E CB -0.580 29.115 29.700 -0.008 0.000 0.758 254 E HN 0.413 nan 8.360 nan 0.000 0.467 255 G N 0.169 108.968 108.800 -0.001 0.000 2.394 255 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.215 255 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.215 255 G C 1.639 176.544 174.900 0.010 0.000 1.165 255 G CA 0.915 46.017 45.100 0.004 0.000 0.784 255 G HN 0.335 nan 8.290 nan 0.000 0.535 256 V N 0.058 119.975 119.914 0.005 0.000 2.719 256 V HA 0.077 4.195 4.120 -0.003 0.000 0.252 256 V C 2.469 178.577 176.094 0.024 0.000 1.065 256 V CA 1.697 64.004 62.300 0.012 0.000 1.086 256 V CB -0.081 31.740 31.823 -0.003 0.000 0.700 256 V HN 0.226 nan 8.190 nan 0.000 0.467 257 L N 1.674 122.896 121.223 -0.002 0.000 2.056 257 L HA 0.107 4.445 4.340 -0.003 0.000 0.207 257 L C 2.736 179.648 176.870 0.070 0.000 1.078 257 L CA 2.811 57.653 54.840 0.002 0.000 0.749 257 L CB -1.099 40.934 42.059 -0.043 0.000 0.901 257 L HN 0.512 nan 8.230 nan 0.000 0.433 258 E N -0.143 120.081 120.200 0.040 0.000 2.085 258 E HA -0.320 4.028 4.350 -0.003 0.000 0.194 258 E C 2.037 178.659 176.600 0.037 0.000 0.994 258 E CA 1.425 57.846 56.400 0.035 0.000 0.801 258 E CB -0.969 28.742 29.700 0.018 0.000 0.743 258 E HN 0.701 nan 8.360 nan 0.000 0.453 259 E N -0.648 119.579 120.200 0.045 0.000 2.106 259 E HA -0.072 4.276 4.350 -0.003 0.000 0.192 259 E C 1.726 178.358 176.600 0.052 0.000 0.984 259 E CA 1.284 57.707 56.400 0.038 0.000 0.806 259 E CB -0.564 29.158 29.700 0.038 0.000 0.750 259 E HN 0.595 nan 8.360 nan 0.000 0.458 260 F N 0.593 120.498 119.950 -0.074 0.000 2.134 260 F HA -0.091 4.434 4.527 -0.003 0.000 0.299 260 F C 1.751 177.491 175.800 -0.100 0.000 1.097 260 F CA 1.477 59.415 58.000 -0.103 0.000 1.264 260 F CB -0.178 38.717 39.000 -0.175 0.000 1.001 260 F HN 0.050 nan 8.300 nan 0.000 0.479 261 L N -0.088 121.095 121.223 -0.067 0.000 2.201 261 L HA -0.136 4.202 4.340 -0.003 0.000 0.212 261 L C 2.600 179.388 176.870 -0.136 0.000 1.105 261 L CA 0.946 55.703 54.840 -0.139 0.000 0.775 261 L CB -0.578 41.489 42.059 0.013 0.000 0.913 261 L HN 0.081 nan 8.230 nan 0.000 0.440 262 R N -0.154 120.292 120.500 -0.091 0.000 2.062 262 R HA -0.110 4.228 4.340 -0.003 0.000 0.231 262 R C 2.462 178.700 176.300 -0.103 0.000 1.136 262 R CA 1.233 57.290 56.100 -0.071 0.000 0.948 262 R CB -0.266 30.012 30.300 -0.038 0.000 0.845 262 R HN 0.331 nan 8.270 nan 0.000 0.430 263 R N 0.627 121.043 120.500 -0.140 0.000 2.082 263 R HA -0.134 4.204 4.340 -0.003 0.000 0.234 263 R C 2.410 178.605 176.300 -0.175 0.000 1.136 263 R CA 1.563 57.577 56.100 -0.142 0.000 0.935 263 R CB -0.616 29.593 30.300 -0.151 0.000 0.842 263 R HN 0.226 nan 8.270 nan 0.000 0.430 264 I N 0.718 121.097 120.570 -0.319 0.000 2.185 264 I HA -0.359 3.809 4.170 -0.003 0.000 0.246 264 I C 2.523 178.568 176.117 -0.119 0.000 1.088 264 I CA 1.521 62.664 61.300 -0.261 0.000 1.347 264 I CB -0.392 37.350 38.000 -0.430 0.000 1.041 264 I HN 0.305 nan 8.210 nan 0.000 0.415 265 A N 0.244 123.000 122.820 -0.106 0.000 1.832 265 A HA -0.210 4.107 4.320 -0.003 0.000 0.214 265 A C 1.909 179.470 177.584 -0.038 0.000 1.200 265 A CA 1.313 53.319 52.037 -0.052 0.000 0.610 265 A CB -0.506 18.470 19.000 -0.041 0.000 0.842 265 A HN 0.150 nan 8.150 nan 0.000 0.444 266 K N 1.294 121.669 120.400 -0.042 0.000 2.703 266 K HA 0.024 4.342 4.320 -0.003 0.000 0.197 266 K C 0.557 177.143 176.600 -0.025 0.000 1.016 266 K CA 0.735 57.005 56.287 -0.029 0.000 0.981 266 K CB -1.240 31.243 32.500 -0.029 0.000 0.805 266 K HN 0.462 nan 8.250 nan 0.000 0.490 267 S N 0.594 116.277 115.700 -0.027 0.000 3.521 267 S HA -0.215 4.253 4.470 -0.003 0.000 0.362 267 S C -0.044 174.548 174.600 -0.013 0.000 1.044 267 S CA 0.733 58.925 58.200 -0.014 0.000 1.091 267 S CB -0.911 62.288 63.200 -0.003 0.000 0.908 267 S HN 0.331 nan 8.310 nan 0.000 0.473 268 R N 0.996 121.479 120.500 -0.029 0.000 2.490 268 R HA 0.252 4.590 4.340 -0.003 0.000 0.278 268 R C 0.237 176.531 176.300 -0.010 0.000 1.069 268 R CA -0.325 55.764 56.100 -0.019 0.000 1.080 268 R CB 0.220 30.504 30.300 -0.027 0.000 1.030 268 R HN 0.276 nan 8.270 nan 0.000 0.491 269 D N -0.479 119.926 120.400 0.009 0.000 2.358 269 D HA -0.016 4.622 4.640 -0.003 0.000 0.224 269 D C 0.438 176.751 176.300 0.021 0.000 1.123 269 D CA 0.196 54.208 54.000 0.021 0.000 0.833 269 D CB 0.369 41.188 40.800 0.032 0.000 0.946 269 D HN 0.504 nan 8.370 nan 0.000 0.505 270 T N -1.607 112.951 114.554 0.007 0.000 3.406 270 T HA 0.314 4.662 4.350 -0.003 0.000 0.244 270 T C 0.211 174.918 174.700 0.012 0.000 0.949 270 T CA -0.388 61.711 62.100 -0.002 0.000 0.926 270 T CB -0.228 68.638 68.868 -0.003 0.000 1.089 270 T HN -0.094 nan 8.240 nan 0.000 0.604 271 V N 0.140 120.080 119.914 0.043 0.000 3.012 271 V HA 0.851 4.969 4.120 -0.003 0.000 0.307 271 V C -1.100 175.108 176.094 0.190 0.000 1.166 271 V CA -0.769 61.615 62.300 0.140 0.000 0.974 271 V CB 2.102 33.945 31.823 0.033 0.000 1.040 271 V HN 0.762 nan 8.190 nan 0.000 0.428 272 A N 3.808 126.810 122.820 0.302 0.000 2.594 272 A HA 1.032 5.350 4.320 -0.003 0.000 0.295 272 A C -1.766 176.001 177.584 0.304 0.000 1.071 272 A CA -0.477 51.672 52.037 0.187 0.000 0.685 272 A CB 2.049 21.076 19.000 0.044 0.000 1.285 272 A HN 1.843 nan 8.150 nan 0.000 0.405 273 Y N -2.095 118.300 120.300 0.158 0.000 2.677 273 Y HA 0.785 5.333 4.550 -0.003 0.000 0.334 273 Y C -0.354 175.615 175.900 0.114 0.000 1.196 273 Y CA -0.412 57.758 58.100 0.117 0.000 1.059 273 Y CB 0.701 39.298 38.460 0.228 0.000 1.315 273 Y HN 1.521 nan 8.280 nan 0.000 0.455 274 T N 2.039 116.764 114.554 0.286 0.000 0.542 274 T HA -0.076 4.272 4.350 -0.003 0.000 0.774 274 T C -2.335 172.403 174.700 0.064 0.000 0.992 274 T CA -0.220 61.970 62.100 0.150 0.000 4.076 274 T CB -0.452 68.453 68.868 0.062 0.000 2.302 274 T HN 0.671 nan 8.240 nan 0.000 0.398 275 P HA -0.102 nan 4.420 nan 0.000 0.216 275 P C 1.554 178.857 177.300 0.006 0.000 1.153 275 P CA 1.846 64.959 63.100 0.022 0.000 0.858 275 P CB -0.141 31.569 31.700 0.018 0.000 0.789 276 G N -0.348 108.453 108.800 0.002 0.000 2.421 276 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.216 276 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.216 276 G C 1.620 176.507 174.900 -0.022 0.000 1.171 276 G CA 0.564 45.658 45.100 -0.010 0.000 0.775 276 G HN 0.259 nan 8.290 nan 0.000 0.543 277 E N -0.298 119.878 120.200 -0.040 0.000 2.077 277 E HA -0.098 4.250 4.350 -0.003 0.000 0.193 277 E C 2.689 179.267 176.600 -0.037 0.000 0.989 277 E CA 0.953 57.315 56.400 -0.063 0.000 0.800 277 E CB -0.037 29.578 29.700 -0.143 0.000 0.746 277 E HN 0.294 nan 8.360 nan 0.000 0.452 278 V N 1.080 120.982 119.914 -0.021 0.000 2.548 278 V HA -0.201 3.917 4.120 -0.003 0.000 0.249 278 V C 2.210 178.297 176.094 -0.012 0.000 1.055 278 V CA 0.933 63.227 62.300 -0.011 0.000 1.065 278 V CB -0.213 31.611 31.823 0.001 0.000 0.681 278 V HN 0.278 nan 8.190 nan 0.000 0.462 279 L N 1.111 122.326 121.223 -0.012 0.000 2.027 279 L HA -0.034 4.304 4.340 -0.003 0.000 0.206 279 L C 2.500 179.365 176.870 -0.008 0.000 1.074 279 L CA 2.321 57.155 54.840 -0.011 0.000 0.745 279 L CB -1.161 40.891 42.059 -0.011 0.000 0.898 279 L HN 0.217 nan 8.230 nan 0.000 0.433 280 A N -0.348 122.466 122.820 -0.009 0.000 1.869 280 A HA -0.272 4.046 4.320 -0.003 0.000 0.218 280 A C 2.266 179.851 177.584 0.002 0.000 1.203 280 A CA 3.430 55.465 52.037 -0.004 0.000 0.638 280 A CB -1.617 17.378 19.000 -0.008 0.000 0.831 280 A HN 0.619 nan 8.150 nan 0.000 0.450 281 V N -2.865 117.046 119.914 -0.005 0.000 2.970 281 V HA 0.181 4.299 4.120 -0.003 0.000 0.260 281 V C 2.396 178.484 176.094 -0.010 0.000 1.100 281 V CA 1.444 63.741 62.300 -0.006 0.000 1.122 281 V CB -1.344 30.462 31.823 -0.029 0.000 0.721 281 V HN 0.598 nan 8.190 nan 0.000 0.483 282 A N 1.661 124.475 122.820 -0.010 0.000 1.877 282 A HA -0.135 4.183 4.320 -0.003 0.000 0.216 282 A C 2.413 180.000 177.584 0.004 0.000 1.186 282 A CA 1.801 53.833 52.037 -0.008 0.000 0.620 282 A CB -0.512 18.482 19.000 -0.010 0.000 0.822 282 A HN 0.539 nan 8.150 nan 0.000 0.443 283 R N -0.306 120.199 120.500 0.009 0.000 2.096 283 R HA -0.151 4.187 4.340 -0.003 0.000 0.240 283 R C 2.056 178.375 176.300 0.033 0.000 1.139 283 R CA 1.780 57.890 56.100 0.016 0.000 0.952 283 R CB -0.924 29.384 30.300 0.014 0.000 0.854 283 R HN 0.629 nan 8.270 nan 0.000 0.436 284 M N -0.003 119.626 119.600 0.048 0.000 2.446 284 M HA 0.010 4.488 4.480 -0.003 0.000 0.263 284 M C 1.207 177.578 176.300 0.119 0.000 1.066 284 M CA 1.410 56.767 55.300 0.095 0.000 1.087 284 M CB -0.307 32.377 32.600 0.140 0.000 1.406 284 M HN 0.496 nan 8.290 nan 0.000 0.459 285 G N 0.256 109.096 108.800 0.067 0.000 2.160 285 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.251 285 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.251 285 G C 0.818 175.745 174.900 0.045 0.000 1.008 285 G CA 0.382 45.519 45.100 0.060 0.000 0.724 285 G HN 0.626 nan 8.290 nan 0.000 0.514 286 A N -1.063 121.734 122.820 -0.038 0.000 2.167 286 A HA 0.529 4.847 4.320 -0.003 0.000 0.214 286 A C 1.282 178.680 177.584 -0.309 0.000 1.151 286 A CA 1.303 53.101 52.037 -0.399 0.000 0.735 286 A CB 0.322 19.045 19.000 -0.461 0.000 0.802 286 A HN 1.030 nan 8.150 nan 0.000 0.467 287 V N 1.011 120.842 119.914 -0.138 0.000 2.385 287 V HA 0.103 4.221 4.120 -0.003 0.000 0.269 287 V C 0.824 176.878 176.094 -0.067 0.000 1.043 287 V CA 0.296 62.539 62.300 -0.095 0.000 0.906 287 V CB 1.040 32.831 31.823 -0.053 0.000 0.995 287 V HN 0.624 nan 8.190 nan 0.000 0.467 288 D N 3.439 123.800 120.400 -0.065 0.000 2.146 288 D HA -0.003 4.634 4.640 -0.003 0.000 0.209 288 D C 0.987 177.275 176.300 -0.021 0.000 0.973 288 D CA 1.189 55.166 54.000 -0.038 0.000 0.860 288 D CB 0.417 41.195 40.800 -0.036 0.000 1.015 288 D HN 0.661 nan 8.370 nan 0.000 0.465 289 T N -1.361 113.182 114.554 -0.018 0.000 2.909 289 T HA 0.546 4.894 4.350 -0.003 0.000 0.299 289 T C -1.503 173.185 174.700 -0.020 0.000 1.073 289 T CA -0.871 61.221 62.100 -0.014 0.000 0.999 289 T CB 1.725 70.589 68.868 -0.007 0.000 1.098 289 T HN -0.086 nan 8.240 nan 0.000 0.477 290 V N 5.085 124.986 119.914 -0.023 0.000 2.531 290 V HA 0.661 4.779 4.120 -0.003 0.000 0.301 290 V C -1.077 174.993 176.094 -0.040 0.000 1.034 290 V CA -1.051 61.228 62.300 -0.036 0.000 0.865 290 V CB 1.386 33.192 31.823 -0.028 0.000 0.995 290 V HN 1.027 nan 8.190 nan 0.000 0.424 291 L N 7.196 128.375 121.223 -0.073 0.000 2.307 291 L HA 0.641 4.979 4.340 -0.003 0.000 0.284 291 L C -1.179 175.655 176.870 -0.060 0.000 1.023 291 L CA -0.629 54.171 54.840 -0.066 0.000 0.810 291 L CB 1.535 43.531 42.059 -0.106 0.000 1.231 291 L HN 0.614 nan 8.230 nan 0.000 0.423 292 L N 5.440 126.654 121.223 -0.014 0.000 2.476 292 L HA 0.395 4.733 4.340 -0.003 0.000 0.269 292 L C -0.977 175.920 176.870 0.045 0.000 0.965 292 L CA -0.492 54.350 54.840 0.004 0.000 0.845 292 L CB 2.307 44.368 42.059 0.003 0.000 1.259 292 L HN 0.305 nan 8.230 nan 0.000 0.403 293 V N 5.070 125.014 119.914 0.050 0.000 2.572 293 V HA 0.018 4.136 4.120 -0.003 0.000 0.291 293 V C 1.291 177.446 176.094 0.103 0.000 1.039 293 V CA 0.262 62.615 62.300 0.089 0.000 1.055 293 V CB 1.372 33.241 31.823 0.078 0.000 0.969 293 V HN 0.910 nan 8.190 nan 0.000 0.482 294 D N 3.320 123.815 120.400 0.158 0.000 2.264 294 D HA -0.179 4.459 4.640 -0.003 0.000 0.208 294 D C 1.580 177.975 176.300 0.158 0.000 0.966 294 D CA 1.516 55.599 54.000 0.138 0.000 0.864 294 D CB -0.050 40.865 40.800 0.192 0.000 0.933 294 D HN 0.695 nan 8.370 nan 0.000 0.499 295 T N -1.060 113.581 114.554 0.146 0.000 3.051 295 T HA -0.011 4.337 4.350 -0.003 0.000 0.269 295 T C 2.221 176.989 174.700 0.113 0.000 1.127 295 T CA 0.196 62.378 62.100 0.138 0.000 1.107 295 T CB -0.376 68.554 68.868 0.104 0.000 0.898 295 T HN 0.148 nan 8.240 nan 0.000 0.517 296 L N -0.480 120.789 121.223 0.077 0.000 2.179 296 L HA 0.111 4.449 4.340 -0.003 0.000 0.208 296 L C 2.163 179.031 176.870 -0.003 0.000 1.096 296 L CA 0.373 55.236 54.840 0.038 0.000 0.779 296 L CB -0.326 41.749 42.059 0.027 0.000 0.922 296 L HN 0.244 nan 8.230 nan 0.000 0.443 297 L N -0.796 120.409 121.223 -0.029 0.000 2.265 297 L HA -0.187 4.151 4.340 -0.003 0.000 0.215 297 L C 1.833 178.500 176.870 -0.337 0.000 1.117 297 L CA 1.644 56.373 54.840 -0.184 0.000 0.782 297 L CB -0.844 41.072 42.059 -0.238 0.000 0.914 297 L HN 0.312 nan 8.230 nan 0.000 0.441 298 H N -2.651 116.407 119.070 -0.019 0.000 2.662 298 H HA 0.249 4.803 4.556 -0.004 0.000 0.268 298 H C 0.745 176.072 175.328 -0.001 0.000 1.152 298 H CA -0.160 55.880 56.048 -0.012 0.000 1.072 298 H CB 0.675 30.434 29.762 -0.005 0.000 1.660 298 H HN 0.097 nan 8.280 nan 0.000 0.584 299 S N 2.546 118.285 115.700 0.067 0.000 2.561 299 S HA -0.031 4.437 4.470 -0.003 0.000 0.294 299 S C -1.180 173.442 174.600 0.037 0.000 1.294 299 S CA -0.931 57.297 58.200 0.047 0.000 1.055 299 S CB 1.023 64.236 63.200 0.023 0.000 0.819 299 S HN 0.139 nan 8.310 nan 0.000 0.503 300 P HA -0.031 nan 4.420 nan 0.000 0.218 300 P C 0.030 177.338 177.300 0.015 0.000 1.149 300 P CA 0.631 63.748 63.100 0.028 0.000 0.817 300 P CB -0.093 31.623 31.700 0.026 0.000 0.785 301 D N 0.376 120.783 120.400 0.012 0.000 2.357 301 D HA -0.050 4.588 4.640 -0.003 0.000 0.265 301 D C 0.523 176.820 176.300 -0.005 0.000 1.334 301 D CA 0.260 54.263 54.000 0.004 0.000 0.984 301 D CB -0.251 40.552 40.800 0.006 0.000 1.077 301 D HN -0.111 nan 8.370 nan 0.000 0.514 302 D N 2.819 123.214 120.400 -0.009 0.000 2.220 302 D HA -0.219 4.419 4.640 -0.003 0.000 0.198 302 D C 1.755 178.041 176.300 -0.024 0.000 1.001 302 D CA 1.625 55.613 54.000 -0.019 0.000 0.875 302 D CB 0.104 40.893 40.800 -0.019 0.000 0.921 302 D HN 0.550 nan 8.370 nan 0.000 0.454 303 A N 0.094 122.904 122.820 -0.017 0.000 1.897 303 A HA -0.085 4.233 4.320 -0.003 0.000 0.215 303 A C 2.358 179.932 177.584 -0.018 0.000 1.181 303 A CA 1.520 53.547 52.037 -0.017 0.000 0.620 303 A CB -0.736 18.258 19.000 -0.011 0.000 0.821 303 A HN 0.253 nan 8.150 nan 0.000 0.443 304 V N -0.627 119.279 119.914 -0.014 0.000 2.667 304 V HA -0.146 3.972 4.120 -0.003 0.000 0.252 304 V C 2.136 178.213 176.094 -0.027 0.000 1.065 304 V CA 1.842 64.134 62.300 -0.013 0.000 1.083 304 V CB -0.790 31.032 31.823 -0.001 0.000 0.692 304 V HN 0.546 nan 8.190 nan 0.000 0.468 305 R N 0.296 120.773 120.500 -0.038 0.000 2.066 305 R HA -0.113 4.225 4.340 -0.003 0.000 0.232 305 R C 2.361 178.620 176.300 -0.067 0.000 1.131 305 R CA 2.069 58.130 56.100 -0.065 0.000 0.955 305 R CB -0.421 29.830 30.300 -0.082 0.000 0.851 305 R HN 0.644 nan 8.270 nan 0.000 0.432 306 E N 0.803 120.970 120.200 -0.055 0.000 2.072 306 E HA -0.140 4.208 4.350 -0.003 0.000 0.191 306 E C 2.127 178.701 176.600 -0.043 0.000 0.985 306 E CA 1.037 57.404 56.400 -0.053 0.000 0.801 306 E CB -0.142 29.530 29.700 -0.047 0.000 0.750 306 E HN 0.333 nan 8.360 nan 0.000 0.452 307 A N 1.088 123.888 122.820 -0.033 0.000 1.859 307 A HA -0.211 4.107 4.320 -0.003 0.000 0.217 307 A C 2.546 180.113 177.584 -0.028 0.000 1.198 307 A CA 1.785 53.807 52.037 -0.026 0.000 0.629 307 A CB -0.975 18.015 19.000 -0.017 0.000 0.830 307 A HN 0.141 nan 8.150 nan 0.000 0.446 308 V N 0.449 120.345 119.914 -0.031 0.000 2.407 308 V HA -0.239 3.879 4.120 -0.003 0.000 0.248 308 V C 2.186 178.254 176.094 -0.044 0.000 1.055 308 V CA 2.247 64.527 62.300 -0.033 0.000 1.049 308 V CB -0.894 30.908 31.823 -0.035 0.000 0.662 308 V HN 0.479 nan 8.190 nan 0.000 0.455 309 D N 0.371 120.737 120.400 -0.057 0.000 2.097 309 D HA -0.116 4.522 4.640 -0.003 0.000 0.197 309 D C 2.463 178.734 176.300 -0.047 0.000 0.984 309 D CA 1.717 55.679 54.000 -0.063 0.000 0.826 309 D CB -0.190 40.562 40.800 -0.080 0.000 0.973 309 D HN 0.600 nan 8.370 nan 0.000 0.460 310 E N 1.135 121.310 120.200 -0.041 0.000 2.038 310 E HA -0.133 4.215 4.350 -0.003 0.000 0.195 310 E C 2.149 178.734 176.600 -0.025 0.000 1.000 310 E CA 1.878 58.259 56.400 -0.032 0.000 0.803 310 E CB -1.070 28.613 29.700 -0.028 0.000 0.750 310 E HN 0.304 nan 8.360 nan 0.000 0.448 311 A N 0.196 123.002 122.820 -0.024 0.000 1.884 311 A HA -0.081 4.237 4.320 -0.003 0.000 0.219 311 A C 2.456 180.028 177.584 -0.020 0.000 1.197 311 A CA 2.073 54.098 52.037 -0.019 0.000 0.637 311 A CB -0.605 18.384 19.000 -0.018 0.000 0.827 311 A HN 0.456 nan 8.150 nan 0.000 0.450 312 L N -0.285 120.923 121.223 -0.025 0.000 2.083 312 L HA -0.135 4.203 4.340 -0.003 0.000 0.209 312 L C 2.612 179.470 176.870 -0.021 0.000 1.083 312 L CA 2.097 56.922 54.840 -0.025 0.000 0.752 312 L CB -0.827 41.212 42.059 -0.034 0.000 0.899 312 L HN 0.552 nan 8.230 nan 0.000 0.433 313 R N -0.661 119.826 120.500 -0.022 0.000 2.083 313 R HA -0.193 4.145 4.340 -0.003 0.000 0.237 313 R C 2.123 178.417 176.300 -0.010 0.000 1.137 313 R CA 1.464 57.554 56.100 -0.016 0.000 0.951 313 R CB -0.328 29.961 30.300 -0.019 0.000 0.851 313 R HN 0.188 nan 8.270 nan 0.000 0.434 314 L N 0.981 122.198 121.223 -0.011 0.000 1.943 314 L HA -0.182 4.156 4.340 -0.003 0.000 0.215 314 L C 2.705 179.572 176.870 -0.005 0.000 1.074 314 L CA 1.894 56.730 54.840 -0.006 0.000 0.759 314 L CB -1.481 40.575 42.059 -0.006 0.000 0.888 314 L HN 0.262 nan 8.230 nan 0.000 0.433 315 V N -1.036 118.873 119.914 -0.009 0.000 2.469 315 V HA -0.283 3.835 4.120 -0.003 0.000 0.251 315 V C 2.329 178.420 176.094 -0.006 0.000 1.064 315 V CA 1.903 64.198 62.300 -0.009 0.000 1.066 315 V CB -0.389 31.425 31.823 -0.015 0.000 0.667 315 V HN 0.569 nan 8.190 nan 0.000 0.461 316 E N 0.942 121.139 120.200 -0.005 0.000 2.051 316 E HA -0.192 4.156 4.350 -0.003 0.000 0.192 316 E C 2.476 179.076 176.600 0.001 0.000 0.991 316 E CA 1.845 58.243 56.400 -0.002 0.000 0.799 316 E CB -0.312 29.387 29.700 -0.003 0.000 0.748 316 E HN 0.894 nan 8.360 nan 0.000 0.449 317 S N 0.629 116.330 115.700 0.002 0.000 2.399 317 S HA -0.136 4.332 4.470 -0.003 0.000 0.231 317 S C 1.633 176.237 174.600 0.007 0.000 1.022 317 S CA 0.965 59.167 58.200 0.004 0.000 0.983 317 S CB -0.231 62.972 63.200 0.004 0.000 0.803 317 S HN 0.151 nan 8.310 nan 0.000 0.480 318 M N 1.223 120.828 119.600 0.008 0.000 3.007 318 M HA 0.418 4.896 4.480 -0.003 0.000 0.288 318 M C 1.137 177.443 176.300 0.011 0.000 1.246 318 M CA 0.196 55.504 55.300 0.012 0.000 1.040 318 M CB 0.288 32.898 32.600 0.017 0.000 1.254 318 M HN 0.449 nan 8.290 nan 0.000 0.517 319 G N 0.278 109.083 108.800 0.008 0.000 2.155 319 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.257 319 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.257 319 G C 0.313 175.215 174.900 0.004 0.000 0.983 319 G CA -0.026 45.078 45.100 0.007 0.000 0.676 319 G HN 0.707 nan 8.290 nan 0.000 0.528 320 G N -0.643 108.157 108.800 -0.000 0.000 2.539 320 G HA2 0.568 4.526 3.960 -0.003 0.000 0.258 320 G HA3 0.568 4.526 3.960 -0.003 0.000 0.258 320 G C 0.135 175.033 174.900 -0.003 0.000 1.202 320 G CA 0.022 45.119 45.100 -0.005 0.000 0.851 320 G HN 0.854 nan 8.290 nan 0.000 0.556 321 R N 0.161 120.658 120.500 -0.004 0.000 2.338 321 R HA 0.522 4.859 4.340 -0.003 0.000 0.317 321 R C -0.880 175.419 176.300 -0.002 0.000 0.968 321 R CA -0.694 55.406 56.100 -0.000 0.000 0.849 321 R CB 1.684 31.985 30.300 0.002 0.000 1.128 321 R HN 0.507 nan 8.270 nan 0.000 0.448 322 V N 5.854 125.768 119.914 0.000 0.000 2.459 322 V HA 0.573 4.691 4.120 -0.003 0.000 0.295 322 V C -0.713 175.389 176.094 0.013 0.000 1.029 322 V CA -0.652 61.648 62.300 -0.000 0.000 0.874 322 V CB 1.276 33.094 31.823 -0.008 0.000 0.985 322 V HN 0.834 nan 8.190 nan 0.000 0.438 323 I N 6.717 127.297 120.570 0.016 0.000 2.474 323 I HA 0.539 4.707 4.170 -0.003 0.000 0.294 323 I C -0.616 175.536 176.117 0.059 0.000 1.005 323 I CA -0.578 60.747 61.300 0.041 0.000 1.113 323 I CB 2.041 40.059 38.000 0.031 0.000 1.289 323 I HN 0.518 nan 8.210 nan 0.000 0.436 324 I N 6.943 127.585 120.570 0.119 0.000 2.439 324 I HA 0.437 4.605 4.170 -0.003 0.000 0.285 324 I C -0.304 176.007 176.117 0.324 0.000 1.021 324 I CA -0.483 60.918 61.300 0.169 0.000 1.091 324 I CB 1.597 39.659 38.000 0.102 0.000 1.242 324 I HN 0.460 nan 8.210 nan 0.000 0.439 325 I N 4.874 125.599 120.570 0.259 0.000 2.797 325 I HA 0.732 4.899 4.170 -0.003 0.000 0.307 325 I C -2.672 173.622 176.117 0.296 0.000 1.033 325 I CA -2.627 58.816 61.300 0.239 0.000 1.071 325 I CB 2.063 40.121 38.000 0.097 0.000 1.255 325 I HN 0.191 nan 8.210 nan 0.000 0.445 326 P HA 0.118 nan 4.420 nan 0.000 0.275 326 P C 0.786 178.177 177.300 0.151 0.000 1.227 326 P CA -0.018 63.228 63.100 0.245 0.000 0.781 326 P CB 1.342 33.101 31.700 0.099 0.000 0.906 327 G N 2.710 111.602 108.800 0.154 0.000 2.505 327 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.220 327 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.220 327 G C -0.005 174.938 174.900 0.073 0.000 1.145 327 G CA 0.758 45.920 45.100 0.102 0.000 0.761 327 G HN 0.497 nan 8.290 nan 0.000 0.571 328 D N 0.352 120.793 120.400 0.069 0.000 2.468 328 D HA 0.489 5.127 4.640 -0.003 0.000 0.218 328 D C 0.212 176.530 176.300 0.030 0.000 1.155 328 D CA 0.208 54.234 54.000 0.045 0.000 0.924 328 D CB 0.814 41.638 40.800 0.040 0.000 1.029 328 D HN 0.360 nan 8.370 nan 0.000 0.515 329 S N 0.889 116.604 115.700 0.024 0.000 2.661 329 S HA 0.529 4.997 4.470 -0.003 0.000 0.268 329 S C -2.385 172.220 174.600 0.007 0.000 1.162 329 S CA -1.153 57.052 58.200 0.008 0.000 0.817 329 S CB 1.395 64.594 63.200 -0.001 0.000 1.141 329 S HN -0.059 nan 8.310 nan 0.000 0.477 330 P HA 0.004 nan 4.420 nan 0.000 0.205 330 P C 1.766 179.071 177.300 0.007 0.000 1.181 330 P CA 2.354 65.454 63.100 -0.000 0.000 0.933 330 P CB -0.535 31.160 31.700 -0.009 0.000 0.775 331 A N -0.401 122.420 122.820 0.002 0.000 2.032 331 A HA -0.168 4.150 4.320 -0.003 0.000 0.221 331 A C 2.464 180.053 177.584 0.009 0.000 1.165 331 A CA 2.246 54.284 52.037 0.001 0.000 0.645 331 A CB -1.954 17.041 19.000 -0.008 0.000 0.807 331 A HN 0.338 nan 8.150 nan 0.000 0.453 332 G N -1.135 107.675 108.800 0.017 0.000 2.440 332 G HA2 -0.100 3.858 3.960 -0.003 0.000 0.218 332 G HA3 -0.100 3.858 3.960 -0.003 0.000 0.218 332 G C 1.457 176.379 174.900 0.037 0.000 1.154 332 G CA 1.834 46.953 45.100 0.030 0.000 0.767 332 G HN 0.761 nan 8.290 nan 0.000 0.552 333 E N 0.638 120.858 120.200 0.034 0.000 2.230 333 E HA 0.056 4.404 4.350 -0.003 0.000 0.192 333 E C 2.348 178.981 176.600 0.055 0.000 0.987 333 E CA 0.927 57.351 56.400 0.040 0.000 0.841 333 E CB -0.426 29.293 29.700 0.031 0.000 0.783 333 E HN 0.580 nan 8.360 nan 0.000 0.481 334 R N -0.276 120.262 120.500 0.062 0.000 2.276 334 R HA 0.253 4.591 4.340 -0.003 0.000 0.203 334 R C 2.104 178.513 176.300 0.182 0.000 1.017 334 R CA 0.547 56.712 56.100 0.107 0.000 1.010 334 R CB -0.129 30.226 30.300 0.092 0.000 0.900 334 R HN 0.340 nan 8.270 nan 0.000 0.469 335 L N 0.045 121.337 121.223 0.115 0.000 2.552 335 L HA -0.031 4.307 4.340 -0.003 0.000 0.227 335 L C 2.105 179.086 176.870 0.184 0.000 1.146 335 L CA 0.193 55.115 54.840 0.137 0.000 0.858 335 L CB -0.172 41.903 42.059 0.027 0.000 0.969 335 L HN 0.054 nan 8.230 nan 0.000 0.451 336 V N 0.036 120.022 119.914 0.120 0.000 2.427 336 V HA -0.242 3.876 4.120 -0.003 0.000 0.248 336 V C 2.381 178.483 176.094 0.012 0.000 1.051 336 V CA 2.281 64.618 62.300 0.061 0.000 1.048 336 V CB 0.026 31.871 31.823 0.037 0.000 0.666 336 V HN 0.651 nan 8.190 nan 0.000 0.456 337 S N -1.156 114.501 115.700 -0.072 0.000 2.561 337 S HA 0.080 4.548 4.470 -0.003 0.000 0.225 337 S C 1.087 175.405 174.600 -0.470 0.000 0.977 337 S CA 0.496 58.522 58.200 -0.290 0.000 0.926 337 S CB -0.364 62.573 63.200 -0.438 0.000 0.769 337 S HN 0.569 nan 8.310 nan 0.000 0.533 338 F N 1.706 121.602 119.950 -0.090 0.000 2.647 338 F HA 0.475 4.999 4.527 -0.003 0.000 0.300 338 F C 1.678 177.524 175.800 0.078 0.000 1.106 338 F CA -0.364 57.561 58.000 -0.125 0.000 1.313 338 F CB 0.060 38.879 39.000 -0.301 0.000 1.007 338 F HN 0.294 nan 8.300 nan 0.000 0.536 339 G N 0.311 109.210 108.800 0.166 0.000 2.168 339 G HA2 -0.132 3.826 3.960 -0.003 0.000 0.257 339 G HA3 -0.132 3.826 3.960 -0.003 0.000 0.257 339 G C 1.342 176.308 174.900 0.111 0.000 0.997 339 G CA 0.224 45.405 45.100 0.135 0.000 0.708 339 G HN 1.191 nan 8.290 nan 0.000 0.520 340 G N -2.966 105.899 108.800 0.109 0.000 2.184 340 G HA2 0.064 4.022 3.960 -0.003 0.000 0.264 340 G HA3 0.064 4.022 3.960 -0.003 0.000 0.264 340 G C 0.451 175.373 174.900 0.036 0.000 0.975 340 G CA 1.158 46.299 45.100 0.068 0.000 0.642 340 G HN 2.179 nan 8.290 nan 0.000 0.536 341 V N -0.278 119.660 119.914 0.040 0.000 2.623 341 V HA 0.818 4.936 4.120 -0.003 0.000 0.304 341 V C 0.219 176.277 176.094 -0.060 0.000 1.054 341 V CA -0.831 61.462 62.300 -0.012 0.000 0.882 341 V CB 1.734 33.567 31.823 0.017 0.000 1.002 341 V HN 0.908 nan 8.190 nan 0.000 0.424 342 I N 0.915 121.348 120.570 -0.227 0.000 3.067 342 I HA 1.104 5.272 4.170 -0.003 0.000 0.312 342 I C -0.239 175.753 176.117 -0.208 0.000 1.073 342 I CA -1.144 59.912 61.300 -0.406 0.000 1.016 342 I CB 2.436 39.684 38.000 -1.253 0.000 1.227 342 I HN 0.873 nan 8.210 nan 0.000 0.456 343 A N 3.502 126.271 122.820 -0.084 0.000 2.488 343 A HA 0.702 5.020 4.320 -0.003 0.000 0.298 343 A C -1.538 176.105 177.584 0.098 0.000 1.044 343 A CA -0.472 51.568 52.037 0.004 0.000 0.693 343 A CB 1.585 20.590 19.000 0.008 0.000 1.272 343 A HN 0.522 nan 8.150 nan 0.000 0.402 344 L N 2.645 123.903 121.223 0.059 0.000 2.265 344 L HA 0.469 4.807 4.340 -0.003 0.000 0.288 344 L C 0.059 176.924 176.870 -0.009 0.000 1.058 344 L CA 0.024 54.900 54.840 0.059 0.000 0.809 344 L CB 0.526 42.610 42.059 0.042 0.000 1.179 344 L HN 0.636 nan 8.230 nan 0.000 0.429 345 L N 3.738 124.940 121.223 -0.036 0.000 2.399 345 L HA 0.447 4.785 4.340 -0.003 0.000 0.265 345 L C 1.372 178.143 176.870 -0.164 0.000 1.089 345 L CA -0.722 54.033 54.840 -0.142 0.000 0.802 345 L CB 0.881 42.830 42.059 -0.183 0.000 1.180 345 L HN 0.573 nan 8.230 nan 0.000 0.454 346 R N 0.642 120.966 120.500 -0.292 0.000 2.193 346 R HA 0.030 4.368 4.340 -0.003 0.000 0.213 346 R C -0.809 175.449 176.300 -0.070 0.000 1.055 346 R CA 0.839 56.833 56.100 -0.178 0.000 0.995 346 R CB 0.038 30.254 30.300 -0.139 0.000 0.893 346 R HN 0.590 nan 8.270 nan 0.000 0.459 347 Y N -3.589 116.720 120.300 0.015 0.000 2.609 347 Y HA 0.509 5.057 4.550 -0.003 0.000 0.336 347 Y C -3.021 172.886 175.900 0.012 0.000 1.129 347 Y CA -3.798 54.309 58.100 0.011 0.000 1.040 347 Y CB 0.450 38.915 38.460 0.009 0.000 1.310 347 Y HN -0.279 nan 8.280 nan 0.000 0.460 348 P HA 0.183 nan 4.420 nan 0.000 0.267 348 P C -0.937 176.474 177.300 0.186 0.000 1.205 348 P CA -0.120 63.060 63.100 0.133 0.000 0.765 348 P CB 1.005 32.763 31.700 0.096 0.000 0.828 349 V N 6.210 126.192 119.914 0.114 0.000 2.398 349 V HA 0.264 4.382 4.120 -0.003 0.000 0.282 349 V C -2.236 173.893 176.094 0.058 0.000 1.014 349 V CA -2.131 60.235 62.300 0.110 0.000 0.838 349 V CB 1.494 33.378 31.823 0.101 0.000 1.018 349 V HN 0.452 nan 8.190 nan 0.000 0.432 350 P HA -0.037 nan 4.420 nan 0.000 0.263 350 P C 0.819 178.131 177.300 0.020 0.000 1.175 350 P CA 0.437 63.556 63.100 0.031 0.000 0.761 350 P CB 0.628 32.344 31.700 0.026 0.000 0.794 351 Q N 2.728 122.536 119.800 0.013 0.000 2.234 351 Q HA -0.271 4.067 4.340 -0.003 0.000 0.206 351 Q C 2.157 178.152 176.000 -0.007 0.000 0.980 351 Q CA 2.138 57.938 55.803 -0.005 0.000 0.869 351 Q CB -0.229 28.506 28.738 -0.005 0.000 0.912 351 Q HN 0.589 nan 8.270 nan 0.000 0.436 352 E N 0.470 120.672 120.200 0.003 0.000 2.021 352 E HA -0.195 4.153 4.350 -0.003 0.000 0.200 352 E C 1.826 178.427 176.600 0.002 0.000 1.015 352 E CA 1.613 58.015 56.400 0.002 0.000 0.824 352 E CB -1.243 28.461 29.700 0.007 0.000 0.762 352 E HN 0.648 nan 8.360 nan 0.000 0.454 353 A N 0.634 123.459 122.820 0.009 0.000 2.248 353 A HA 0.061 4.379 4.320 -0.003 0.000 0.210 353 A C 1.619 179.208 177.584 0.009 0.000 1.174 353 A CA 0.443 52.487 52.037 0.012 0.000 0.750 353 A CB -0.275 18.738 19.000 0.022 0.000 0.780 353 A HN 0.415 nan 8.150 nan 0.000 0.478 354 R N 0.000 120.499 120.500 -0.001 0.000 2.786 354 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 354 R CA 0.000 56.092 56.100 -0.013 0.000 0.921 354 R CB 0.000 30.280 30.300 -0.033 0.000 0.687 354 R HN 0.000 nan 8.270 nan 0.000 0.535