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 3hk9_1_A DATA FIRST_RESID 2 DATA SEQUENCE SINSREVLAE KVKNAVNNQP VTDMHTHLFS PNFGEILLWD IDELLTYHYL DATA SEQUENCE VAEVMRWTDV SIEAFWAMSK REQADLIWEE LFIKRSPVSE ACRGVLTCLQ DATA SEQUENCE GLGLDPATRD LQVYREYFAK KTSEEQVDTV LQLANVSDVV MTNDPFDDNE DATA SEQUENCE RISWLEGKQP DSRFHAALRL DPLLNEYEQT KHRLRDWGYK VNDEWNEGSI DATA SEQUENCE QEVKRFLTDW IERMDPVYMA VSLPPTFSFP EESNRGRIIR DCLLPVAEKH DATA SEQUENCE NIPFAMMIGV KKRVHPALGD AGDFVGKASM DGVEHLLREY PNNKFLVTML DATA SEQUENCE SRENQHELVV LARKFSNLMI FGCWWFMNNP EIINEMTRMR MEMLGTSFIP DATA SEQUENCE QHSDARVLEQ LIYKWHHSKS IIAEVLIDKY DDILQAGWEV TEEEIKRDVA DATA SEQUENCE DLFSRNFWRF VGR 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.587 174.600 -0.022 0.000 1.055 2 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 2 S CB 0.000 63.182 63.200 -0.030 0.000 0.593 3 I N 3.492 124.046 120.570 -0.027 0.000 2.294 3 I HA 0.270 4.439 4.170 -0.001 0.000 0.295 3 I C 0.683 176.796 176.117 -0.006 0.000 1.098 3 I CA -0.372 60.916 61.300 -0.020 0.000 1.277 3 I CB 0.075 38.054 38.000 -0.035 0.000 1.434 3 I HN 0.747 nan 8.210 nan 0.000 0.498 4 N N 4.690 123.391 118.700 0.002 0.000 2.365 4 N HA 0.080 4.819 4.740 -0.001 0.000 0.257 4 N C -0.520 175.003 175.510 0.021 0.000 1.287 4 N CA -0.284 52.772 53.050 0.011 0.000 0.882 4 N CB 0.725 39.215 38.487 0.004 0.000 1.250 4 N HN 0.535 nan 8.380 nan 0.000 0.507 5 S N -1.506 114.210 115.700 0.026 0.000 2.567 5 S HA 0.371 4.840 4.470 -0.001 0.000 0.270 5 S C 0.426 175.050 174.600 0.040 0.000 1.152 5 S CA -0.896 57.324 58.200 0.032 0.000 0.835 5 S CB 2.235 65.450 63.200 0.025 0.000 1.115 5 S HN 0.101 nan 8.310 nan 0.000 0.459 6 R N 0.736 121.264 120.500 0.046 0.000 2.096 6 R HA -0.106 4.233 4.340 -0.001 0.000 0.235 6 R C 1.978 178.306 176.300 0.047 0.000 1.127 6 R CA 1.993 58.127 56.100 0.055 0.000 0.968 6 R CB -0.443 29.890 30.300 0.054 0.000 0.861 6 R HN 0.884 nan 8.270 nan 0.000 0.440 7 E N -0.341 119.880 120.200 0.036 0.000 2.038 7 E HA -0.186 4.164 4.350 -0.001 0.000 0.195 7 E C 1.847 178.464 176.600 0.027 0.000 1.000 7 E CA 1.792 58.210 56.400 0.031 0.000 0.803 7 E CB 0.089 29.804 29.700 0.025 0.000 0.750 7 E HN 0.200 nan 8.360 nan 0.000 0.448 8 V N 1.147 121.074 119.914 0.022 0.000 2.343 8 V HA -0.250 3.870 4.120 -0.001 0.000 0.247 8 V C 2.434 178.536 176.094 0.014 0.000 1.051 8 V CA 1.519 63.827 62.300 0.014 0.000 1.036 8 V CB -0.523 31.305 31.823 0.008 0.000 0.654 8 V HN 0.332 nan 8.190 nan 0.000 0.451 9 L N 0.994 122.231 121.223 0.023 0.000 1.990 9 L HA -0.173 4.167 4.340 -0.001 0.000 0.213 9 L C 2.512 179.409 176.870 0.045 0.000 1.072 9 L CA 2.493 57.349 54.840 0.026 0.000 0.755 9 L CB -0.995 41.099 42.059 0.059 0.000 0.889 9 L HN 0.240 nan 8.230 nan 0.000 0.432 10 A N -0.899 121.954 122.820 0.055 0.000 1.917 10 A HA -0.327 3.993 4.320 -0.001 0.000 0.219 10 A C 2.327 179.939 177.584 0.046 0.000 1.182 10 A CA 2.115 54.188 52.037 0.060 0.000 0.633 10 A CB -0.856 18.175 19.000 0.052 0.000 0.819 10 A HN 0.667 nan 8.150 nan 0.000 0.448 11 E N -0.378 119.841 120.200 0.032 0.000 2.031 11 E HA -0.238 4.112 4.350 -0.001 0.000 0.193 11 E C 1.861 178.472 176.600 0.018 0.000 0.994 11 E CA 1.407 57.820 56.400 0.023 0.000 0.800 11 E CB -0.085 29.625 29.700 0.016 0.000 0.752 11 E HN 0.390 nan 8.360 nan 0.000 0.447 12 K N 0.315 120.720 120.400 0.009 0.000 2.063 12 K HA -0.111 4.209 4.320 -0.001 0.000 0.208 12 K C 2.252 178.858 176.600 0.009 0.000 1.048 12 K CA 0.971 57.255 56.287 -0.004 0.000 0.928 12 K CB -0.582 31.900 32.500 -0.030 0.000 0.713 12 K HN 0.151 nan 8.250 nan 0.000 0.442 13 V N 1.760 121.695 119.914 0.035 0.000 2.307 13 V HA -0.210 3.910 4.120 -0.001 0.000 0.245 13 V C 2.292 178.430 176.094 0.074 0.000 1.045 13 V CA 1.638 63.989 62.300 0.085 0.000 1.024 13 V CB -0.375 31.545 31.823 0.162 0.000 0.651 13 V HN 0.318 nan 8.190 nan 0.000 0.449 14 K N 0.189 120.623 120.400 0.057 0.000 2.057 14 K HA -0.180 4.140 4.320 -0.001 0.000 0.207 14 K C 2.075 178.683 176.600 0.014 0.000 1.049 14 K CA 1.682 57.991 56.287 0.037 0.000 0.931 14 K CB -0.315 32.204 32.500 0.033 0.000 0.714 14 K HN 0.401 nan 8.250 nan 0.000 0.440 15 N N 0.977 119.684 118.700 0.012 0.000 2.084 15 N HA -0.154 4.585 4.740 -0.001 0.000 0.190 15 N C 1.750 177.252 175.510 -0.012 0.000 1.030 15 N CA 1.567 54.617 53.050 -0.001 0.000 0.849 15 N CB -0.506 37.981 38.487 -0.000 0.000 1.012 15 N HN 0.197 nan 8.380 nan 0.000 0.423 16 A N 0.731 123.550 122.820 -0.001 0.000 1.877 16 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 16 A C 2.534 180.097 177.584 -0.035 0.000 1.186 16 A CA 1.541 53.576 52.037 -0.003 0.000 0.620 16 A CB -0.945 18.071 19.000 0.027 0.000 0.822 16 A HN 0.107 nan 8.150 nan 0.000 0.443 17 V N 0.868 120.768 119.914 -0.024 0.000 2.332 17 V HA -0.334 3.786 4.120 -0.001 0.000 0.248 17 V C 2.186 178.142 176.094 -0.230 0.000 1.055 17 V CA 2.387 64.613 62.300 -0.123 0.000 1.038 17 V CB -1.201 30.616 31.823 -0.010 0.000 0.651 17 V HN 0.660 nan 8.190 nan 0.000 0.450 18 N N 0.411 119.039 118.700 -0.121 0.000 2.166 18 N HA -0.153 4.586 4.740 -0.001 0.000 0.186 18 N C 1.501 176.940 175.510 -0.119 0.000 1.019 18 N CA 1.319 54.305 53.050 -0.106 0.000 0.856 18 N CB -0.164 38.298 38.487 -0.043 0.000 0.993 18 N HN 0.478 nan 8.380 nan 0.000 0.426 19 N N 0.781 119.421 118.700 -0.100 0.000 2.446 19 N HA -0.067 4.673 4.740 -0.001 0.000 0.179 19 N C 0.197 175.638 175.510 -0.115 0.000 1.054 19 N CA 0.324 53.322 53.050 -0.087 0.000 0.905 19 N CB -0.028 38.427 38.487 -0.052 0.000 0.973 19 N HN 0.253 nan 8.380 nan 0.000 0.448 20 Q N 2.391 122.092 119.800 -0.165 0.000 2.262 20 Q HA 0.175 4.514 4.340 -0.001 0.000 0.272 20 Q C -2.575 173.294 176.000 -0.218 0.000 1.076 20 Q CA -1.481 54.220 55.803 -0.170 0.000 0.905 20 Q CB 0.678 29.298 28.738 -0.198 0.000 1.182 20 Q HN 0.020 nan 8.270 nan 0.000 0.390 21 P HA 0.013 nan 4.420 nan 0.000 0.271 21 P C -1.107 176.080 177.300 -0.188 0.000 1.216 21 P CA -0.123 62.884 63.100 -0.155 0.000 0.771 21 P CB 0.830 32.479 31.700 -0.086 0.000 0.864 22 V N 3.857 123.584 119.914 -0.312 0.000 2.481 22 V HA 0.273 4.393 4.120 -0.001 0.000 0.286 22 V C 0.547 176.460 176.094 -0.302 0.000 1.042 22 V CA 0.028 62.070 62.300 -0.429 0.000 0.928 22 V CB 1.491 32.717 31.823 -0.993 0.000 0.986 22 V HN 0.456 nan 8.190 nan 0.000 0.462 23 T N 3.241 117.673 114.554 -0.203 0.000 2.770 23 T HA 0.187 4.536 4.350 -0.001 0.000 0.297 23 T C -0.342 174.211 174.700 -0.245 0.000 0.997 23 T CA -0.199 61.824 62.100 -0.128 0.000 0.949 23 T CB 0.360 69.223 68.868 -0.009 0.000 0.941 23 T HN 0.693 nan 8.240 nan 0.000 0.457 24 D N 4.493 124.782 120.400 -0.184 0.000 2.441 24 D HA 0.139 4.779 4.640 -0.001 0.000 0.221 24 D C 1.208 177.389 176.300 -0.199 0.000 1.156 24 D CA -0.612 53.402 54.000 0.023 0.000 0.896 24 D CB 0.844 41.750 40.800 0.177 0.000 1.028 24 D HN 0.436 nan 8.370 nan 0.000 0.509 25 M N 2.062 121.410 119.600 -0.421 0.000 2.722 25 M HA 0.143 4.623 4.480 -0.001 0.000 0.238 25 M C -0.221 175.856 176.300 -0.372 0.000 1.098 25 M CA 0.545 55.363 55.300 -0.803 0.000 1.062 25 M CB -0.336 31.228 32.600 -1.727 0.000 1.573 25 M HN 0.210 nan 8.290 nan 0.000 0.531 26 H N -0.110 118.789 119.070 -0.286 0.000 3.235 26 H HA 0.582 5.137 4.556 -0.001 0.000 0.324 26 H C -1.312 173.941 175.328 -0.125 0.000 1.059 26 H CA -0.317 55.571 56.048 -0.267 0.000 1.497 26 H CB 0.868 30.326 29.762 -0.506 0.000 1.986 26 H HN 0.361 nan 8.280 nan 0.000 0.444 27 T N 1.247 115.401 114.554 -0.668 0.000 2.787 27 T HA 0.314 4.664 4.350 -0.001 0.000 0.297 27 T C -0.603 173.623 174.700 -0.789 0.000 1.221 27 T CA -0.875 60.880 62.100 -0.576 0.000 1.006 27 T CB 1.640 70.363 68.868 -0.242 0.000 1.328 27 T HN 0.674 nan 8.240 nan 0.000 0.509 28 H N 0.688 119.572 119.070 -0.311 0.000 2.481 28 H HA 0.441 4.996 4.556 -0.001 0.000 0.273 28 H C -0.275 174.811 175.328 -0.404 0.000 1.145 28 H CA -0.167 55.696 56.048 -0.309 0.000 0.964 28 H CB 0.053 29.758 29.762 -0.096 0.000 1.722 28 H HN 0.334 nan 8.280 nan 0.000 0.573 29 L N 0.175 121.171 121.223 -0.378 0.000 2.358 29 L HA 0.463 4.803 4.340 -0.001 0.000 0.268 29 L C -0.557 175.962 176.870 -0.586 0.000 1.032 29 L CA -0.778 53.920 54.840 -0.237 0.000 0.805 29 L CB 1.173 43.260 42.059 0.046 0.000 1.253 29 L HN -0.069 nan 8.230 nan 0.000 0.452 30 F N -0.918 118.997 119.950 -0.058 0.000 2.576 30 F HA 0.296 4.823 4.527 -0.001 0.000 0.313 30 F C 0.477 175.835 175.800 -0.737 0.000 1.078 30 F CA -0.717 57.072 58.000 -0.352 0.000 0.921 30 F CB 2.006 40.802 39.000 -0.340 0.000 1.232 30 F HN 0.300 nan 8.300 nan 0.000 0.459 31 S N 4.031 119.127 115.700 -1.007 0.000 2.558 31 S HA 0.039 4.508 4.470 -0.001 0.000 0.293 31 S C -1.097 173.203 174.600 -0.500 0.000 1.292 31 S CA -0.976 56.369 58.200 -1.426 0.000 1.063 31 S CB 0.618 63.450 63.200 -0.612 0.000 0.831 31 S HN 0.489 nan 8.310 nan 0.000 0.499 32 P HA -0.201 nan 4.420 nan 0.000 0.217 32 P C 0.951 178.232 177.300 -0.032 0.000 1.148 32 P CA 1.318 64.340 63.100 -0.129 0.000 0.834 32 P CB -0.316 31.318 31.700 -0.111 0.000 0.783 33 N N -0.482 118.201 118.700 -0.028 0.000 2.609 33 N HA -0.137 4.602 4.740 -0.001 0.000 0.190 33 N C 1.149 176.612 175.510 -0.078 0.000 1.157 33 N CA 0.628 53.650 53.050 -0.047 0.000 0.918 33 N CB -1.270 37.166 38.487 -0.084 0.000 0.978 33 N HN 0.144 nan 8.380 nan 0.000 0.448 34 F N 0.632 120.469 119.950 -0.189 0.000 2.789 34 F HA 0.282 4.809 4.527 -0.001 0.000 0.300 34 F C 1.982 177.684 175.800 -0.165 0.000 1.132 34 F CA 0.630 58.504 58.000 -0.210 0.000 1.404 34 F CB -0.223 38.633 39.000 -0.240 0.000 1.114 34 F HN 0.318 nan 8.300 nan 0.000 0.584 35 G N 0.172 108.999 108.800 0.044 0.000 2.568 35 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.222 35 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.222 35 G C 0.782 175.717 174.900 0.058 0.000 1.321 35 G CA -0.107 45.009 45.100 0.027 0.000 0.893 35 G HN 0.064 nan 8.290 nan 0.000 0.569 36 E N -0.438 119.789 120.200 0.045 0.000 2.279 36 E HA -0.219 4.131 4.350 -0.001 0.000 0.205 36 E C 2.367 178.998 176.600 0.052 0.000 1.028 36 E CA 1.446 57.880 56.400 0.056 0.000 0.830 36 E CB -0.096 29.617 29.700 0.022 0.000 0.736 36 E HN 0.596 nan 8.360 nan 0.000 0.478 37 I N 0.838 121.399 120.570 -0.014 0.000 2.423 37 I HA -0.202 3.967 4.170 -0.001 0.000 0.254 37 I C 0.873 177.052 176.117 0.103 0.000 1.151 37 I CA 0.263 61.506 61.300 -0.096 0.000 1.421 37 I CB 0.157 37.883 38.000 -0.457 0.000 1.079 37 I HN -0.009 nan 8.210 nan 0.000 0.431 38 L N 2.735 124.075 121.223 0.195 0.000 2.325 38 L HA 0.297 4.636 4.340 -0.001 0.000 0.284 38 L C -0.503 176.573 176.870 0.343 0.000 1.089 38 L CA 0.167 55.202 54.840 0.325 0.000 0.836 38 L CB 0.360 42.563 42.059 0.241 0.000 1.184 38 L HN -0.017 nan 8.230 nan 0.000 0.444 39 L N 6.578 127.988 121.223 0.312 0.000 2.350 39 L HA 0.541 4.881 4.340 -0.001 0.000 0.275 39 L C -0.460 176.621 176.870 0.352 0.000 1.099 39 L CA -0.455 54.534 54.840 0.248 0.000 0.808 39 L CB 0.849 43.009 42.059 0.168 0.000 1.149 39 L HN 0.755 nan 8.230 nan 0.000 0.442 40 W N 2.526 123.837 121.300 0.019 0.000 3.057 40 W HA 0.496 5.155 4.660 -0.001 0.000 0.328 40 W C -1.822 174.619 176.519 -0.130 0.000 1.232 40 W CA -1.159 56.177 57.345 -0.015 0.000 1.187 40 W CB 0.755 30.248 29.460 0.055 0.000 1.417 40 W HN 0.703 nan 8.180 nan 0.000 0.569 41 D N -0.829 119.476 120.400 -0.157 0.000 10.538 41 D HA -0.239 4.401 4.640 -0.001 0.000 0.332 41 D C -0.331 175.443 176.300 -0.877 0.000 3.156 41 D CA 0.198 53.596 54.000 -1.003 0.000 2.703 41 D CB -0.818 39.358 40.800 -1.040 0.000 1.270 41 D HN 0.494 nan 8.370 nan 0.000 0.954 42 I N 0.558 120.374 120.570 -1.256 0.000 2.315 42 I HA -0.191 3.979 4.170 -0.001 0.000 0.251 42 I C 1.511 177.478 176.117 -0.249 0.000 1.125 42 I CA 1.912 62.941 61.300 -0.451 0.000 1.392 42 I CB -0.477 37.435 38.000 -0.146 0.000 1.065 42 I HN 0.460 nan 8.210 nan 0.000 0.424 43 D N 0.337 120.572 120.400 -0.274 0.000 2.117 43 D HA -0.151 4.488 4.640 -0.001 0.000 0.198 43 D C 2.026 178.282 176.300 -0.073 0.000 0.982 43 D CA 1.057 54.972 54.000 -0.142 0.000 0.828 43 D CB -0.138 40.572 40.800 -0.150 0.000 0.967 43 D HN 0.436 nan 8.370 nan 0.000 0.464 44 E N 0.785 120.911 120.200 -0.122 0.000 2.072 44 E HA -0.073 4.277 4.350 -0.001 0.000 0.191 44 E C 2.581 179.203 176.600 0.037 0.000 0.985 44 E CA 0.145 56.529 56.400 -0.027 0.000 0.801 44 E CB -0.328 29.338 29.700 -0.056 0.000 0.750 44 E HN 0.353 nan 8.360 nan 0.000 0.452 45 L N 0.451 121.665 121.223 -0.015 0.000 2.012 45 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 45 L C 2.608 179.562 176.870 0.140 0.000 1.073 45 L CA 1.053 55.912 54.840 0.033 0.000 0.748 45 L CB -0.498 41.565 42.059 0.007 0.000 0.891 45 L HN 0.118 nan 8.230 nan 0.000 0.431 46 L N -0.518 120.783 121.223 0.130 0.000 2.201 46 L HA -0.142 4.198 4.340 -0.001 0.000 0.212 46 L C 2.166 179.202 176.870 0.277 0.000 1.105 46 L CA 1.520 56.492 54.840 0.220 0.000 0.775 46 L CB -0.622 41.537 42.059 0.166 0.000 0.913 46 L HN 0.453 nan 8.230 nan 0.000 0.440 47 T N -4.642 110.064 114.554 0.254 0.000 3.163 47 T HA 0.008 4.358 4.350 -0.001 0.000 0.252 47 T C 0.364 175.289 174.700 0.375 0.000 1.056 47 T CA -0.443 61.851 62.100 0.323 0.000 0.947 47 T CB -0.433 68.606 68.868 0.284 0.000 1.016 47 T HN 0.052 nan 8.240 nan 0.000 0.554 48 Y N 4.195 124.603 120.300 0.181 0.000 2.702 48 Y HA 0.077 4.627 4.550 -0.001 0.000 0.336 48 Y C 1.583 177.615 175.900 0.221 0.000 1.235 48 Y CA -0.668 57.511 58.100 0.130 0.000 1.492 48 Y CB 0.461 38.938 38.460 0.027 0.000 1.308 48 Y HN 0.526 nan 8.280 nan 0.000 0.589 49 H N 2.631 121.746 119.070 0.075 0.000 2.489 49 H HA -0.165 4.391 4.556 -0.001 0.000 0.293 49 H C 1.022 176.391 175.328 0.068 0.000 1.066 49 H CA 2.021 58.126 56.048 0.097 0.000 1.305 49 H CB -0.658 29.184 29.762 0.133 0.000 1.386 49 H HN 0.674 nan 8.280 nan 0.000 0.551 50 Y N 0.552 120.443 120.300 -0.681 0.000 2.224 50 Y HA -0.064 4.485 4.550 -0.001 0.000 0.289 50 Y C 2.010 177.891 175.900 -0.032 0.000 1.146 50 Y CA 0.887 58.792 58.100 -0.325 0.000 1.182 50 Y CB -0.426 37.792 38.460 -0.403 0.000 0.983 50 Y HN 0.262 nan 8.280 nan 0.000 0.524 51 L N -1.755 119.592 121.223 0.207 0.000 2.313 51 L HA -0.070 4.270 4.340 -0.001 0.000 0.214 51 L C 2.216 179.143 176.870 0.096 0.000 1.119 51 L CA 0.584 55.542 54.840 0.197 0.000 0.809 51 L CB -0.782 41.446 42.059 0.283 0.000 0.933 51 L HN -0.027 nan 8.230 nan 0.000 0.449 52 V N -0.329 119.624 119.914 0.066 0.000 2.323 52 V HA -0.238 3.881 4.120 -0.001 0.000 0.244 52 V C 2.695 178.703 176.094 -0.144 0.000 1.041 52 V CA 1.610 63.820 62.300 -0.150 0.000 1.025 52 V CB -1.019 30.768 31.823 -0.059 0.000 0.656 52 V HN 0.460 nan 8.190 nan 0.000 0.451 53 A N -0.315 122.506 122.820 0.002 0.000 1.908 53 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 53 A C 2.175 179.741 177.584 -0.030 0.000 1.181 53 A CA 2.114 54.151 52.037 -0.000 0.000 0.627 53 A CB -0.508 18.537 19.000 0.076 0.000 0.818 53 A HN 0.633 nan 8.150 nan 0.000 0.445 54 E N -0.901 119.305 120.200 0.010 0.000 2.072 54 E HA -0.107 4.242 4.350 -0.001 0.000 0.191 54 E C 1.954 178.579 176.600 0.040 0.000 0.985 54 E CA 1.075 57.488 56.400 0.022 0.000 0.801 54 E CB -0.257 29.488 29.700 0.076 0.000 0.750 54 E HN 0.386 nan 8.360 nan 0.000 0.452 55 V N 1.032 120.960 119.914 0.023 0.000 2.515 55 V HA -0.200 3.920 4.120 -0.001 0.000 0.250 55 V C 1.877 177.967 176.094 -0.005 0.000 1.058 55 V CA 1.229 63.559 62.300 0.049 0.000 1.064 55 V CB -0.147 31.662 31.823 -0.023 0.000 0.675 55 V HN 0.297 nan 8.190 nan 0.000 0.461 56 M N -0.569 118.962 119.600 -0.115 0.000 2.549 56 M HA -0.029 4.450 4.480 -0.001 0.000 0.260 56 M C 2.038 178.287 176.300 -0.085 0.000 1.076 56 M CA 1.312 56.540 55.300 -0.120 0.000 1.090 56 M CB -1.179 31.324 32.600 -0.163 0.000 1.418 56 M HN 0.353 nan 8.290 nan 0.000 0.486 57 R N -2.272 118.155 120.500 -0.122 0.000 2.275 57 R HA -0.066 4.274 4.340 -0.001 0.000 0.199 57 R C 1.513 177.626 176.300 -0.313 0.000 0.989 57 R CA 0.755 56.698 56.100 -0.262 0.000 1.016 57 R CB 0.143 30.204 30.300 -0.399 0.000 0.918 57 R HN 0.443 nan 8.270 nan 0.000 0.473 58 W N -0.605 120.666 121.300 -0.049 0.000 3.033 58 W HA 0.136 4.795 4.660 -0.000 0.000 0.250 58 W C 1.047 177.549 176.519 -0.029 0.000 1.105 58 W CA -0.326 56.996 57.345 -0.038 0.000 1.655 58 W CB 0.014 29.451 29.460 -0.038 0.000 1.001 58 W HN -0.237 nan 8.180 nan 0.000 0.653 59 T N 1.627 116.316 114.554 0.226 0.000 2.926 59 T HA -0.034 4.316 4.350 -0.001 0.000 0.307 59 T C 0.681 175.430 174.700 0.082 0.000 1.059 59 T CA 0.349 62.526 62.100 0.127 0.000 1.122 59 T CB 0.754 69.675 68.868 0.088 0.000 0.972 59 T HN 0.169 nan 8.240 nan 0.000 0.545 60 D N 2.614 123.057 120.400 0.073 0.000 2.339 60 D HA 0.038 4.677 4.640 -0.001 0.000 0.217 60 D C 0.522 176.849 176.300 0.046 0.000 1.050 60 D CA -0.066 53.966 54.000 0.053 0.000 0.856 60 D CB -0.321 40.510 40.800 0.051 0.000 0.922 60 D HN 0.282 nan 8.370 nan 0.000 0.518 61 V N 2.077 122.024 119.914 0.054 0.000 2.521 61 V HA 0.121 4.240 4.120 -0.001 0.000 0.286 61 V C 1.016 177.137 176.094 0.046 0.000 1.034 61 V CA -0.428 61.909 62.300 0.061 0.000 1.045 61 V CB 0.649 32.528 31.823 0.094 0.000 0.974 61 V HN 0.392 nan 8.190 nan 0.000 0.480 62 S N 4.997 120.725 115.700 0.048 0.000 2.579 62 S HA 0.129 4.598 4.470 -0.001 0.000 0.275 62 S C 1.029 175.650 174.600 0.034 0.000 1.345 62 S CA -0.297 57.928 58.200 0.041 0.000 1.031 62 S CB 0.708 63.939 63.200 0.052 0.000 0.892 62 S HN 0.622 nan 8.310 nan 0.000 0.529 63 I N 1.477 122.052 120.570 0.009 0.000 2.286 63 I HA -0.079 4.091 4.170 -0.001 0.000 0.248 63 I C 2.026 178.163 176.117 0.032 0.000 1.115 63 I CA 1.662 62.930 61.300 -0.054 0.000 1.392 63 I CB -0.818 37.168 38.000 -0.022 0.000 1.065 63 I HN 0.835 nan 8.210 nan 0.000 0.418 64 E N 0.859 121.137 120.200 0.130 0.000 2.077 64 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 64 E C 2.276 178.973 176.600 0.162 0.000 0.989 64 E CA 1.543 58.063 56.400 0.200 0.000 0.800 64 E CB -0.650 29.139 29.700 0.149 0.000 0.746 64 E HN 0.593 nan 8.360 nan 0.000 0.452 65 A N 0.212 123.094 122.820 0.104 0.000 1.933 65 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 65 A C 2.053 179.672 177.584 0.058 0.000 1.175 65 A CA 1.085 53.169 52.037 0.079 0.000 0.628 65 A CB -0.745 18.294 19.000 0.065 0.000 0.814 65 A HN 0.329 nan 8.150 nan 0.000 0.444 66 F N -0.728 119.149 119.950 -0.121 0.000 2.102 66 F HA -0.186 4.341 4.527 -0.001 0.000 0.298 66 F C 2.000 177.703 175.800 -0.162 0.000 1.105 66 F CA 1.751 59.611 58.000 -0.233 0.000 1.239 66 F CB -0.492 38.218 39.000 -0.484 0.000 0.991 66 F HN 0.416 nan 8.300 nan 0.000 0.474 67 W N -0.103 121.256 121.300 0.099 0.000 2.425 67 W HA -0.060 4.600 4.660 -0.001 0.000 0.277 67 W C 2.461 178.942 176.519 -0.065 0.000 1.231 67 W CA 0.652 58.002 57.345 0.008 0.000 1.248 67 W CB -0.527 28.993 29.460 0.099 0.000 1.117 67 W HN 0.093 nan 8.180 nan 0.000 0.568 68 A N -0.039 122.874 122.820 0.155 0.000 2.014 68 A HA -0.013 4.307 4.320 -0.001 0.000 0.218 68 A C 1.261 178.845 177.584 0.001 0.000 1.163 68 A CA 0.510 52.595 52.037 0.079 0.000 0.652 68 A CB -0.563 18.478 19.000 0.068 0.000 0.808 68 A HN 0.104 nan 8.150 nan 0.000 0.449 69 M N 0.927 120.475 119.600 -0.086 0.000 2.219 69 M HA 0.142 4.622 4.480 -0.001 0.000 0.307 69 M C 0.958 177.187 176.300 -0.119 0.000 1.116 69 M CA -0.025 55.196 55.300 -0.132 0.000 1.181 69 M CB 0.484 32.937 32.600 -0.245 0.000 1.410 69 M HN 0.438 nan 8.290 nan 0.000 0.454 70 S N 0.483 116.128 115.700 -0.092 0.000 2.645 70 S HA 0.209 4.678 4.470 -0.001 0.000 0.266 70 S C 0.680 175.227 174.600 -0.088 0.000 1.258 70 S CA -0.794 57.366 58.200 -0.065 0.000 0.990 70 S CB 1.263 64.436 63.200 -0.046 0.000 0.967 70 S HN 0.708 nan 8.310 nan 0.000 0.556 71 K N 0.945 121.313 120.400 -0.054 0.000 2.063 71 K HA -0.136 4.183 4.320 -0.001 0.000 0.208 71 K C 2.233 178.804 176.600 -0.049 0.000 1.048 71 K CA 1.762 58.023 56.287 -0.043 0.000 0.928 71 K CB -0.516 31.964 32.500 -0.032 0.000 0.713 71 K HN 0.648 nan 8.250 nan 0.000 0.442 72 R N 1.236 121.704 120.500 -0.053 0.000 2.081 72 R HA -0.061 4.278 4.340 -0.001 0.000 0.235 72 R C 1.804 178.082 176.300 -0.038 0.000 1.131 72 R CA 2.126 58.197 56.100 -0.049 0.000 0.960 72 R CB -0.461 29.810 30.300 -0.049 0.000 0.856 72 R HN 0.468 nan 8.270 nan 0.000 0.436 73 E N -0.063 120.106 120.200 -0.051 0.000 2.072 73 E HA -0.199 4.150 4.350 -0.001 0.000 0.191 73 E C 2.125 178.699 176.600 -0.043 0.000 0.985 73 E CA 1.382 57.755 56.400 -0.045 0.000 0.801 73 E CB -0.056 29.606 29.700 -0.064 0.000 0.750 73 E HN 0.530 nan 8.360 nan 0.000 0.452 74 Q N 0.372 120.097 119.800 -0.125 0.000 2.084 74 Q HA -0.133 4.206 4.340 -0.001 0.000 0.202 74 Q C 2.248 178.338 176.000 0.149 0.000 0.978 74 Q CA 1.349 57.076 55.803 -0.126 0.000 0.844 74 Q CB -0.177 28.314 28.738 -0.413 0.000 0.898 74 Q HN 0.218 nan 8.270 nan 0.000 0.426 75 A N 1.519 124.395 122.820 0.094 0.000 1.898 75 A HA -0.214 4.105 4.320 -0.001 0.000 0.216 75 A C 1.641 179.315 177.584 0.150 0.000 1.181 75 A CA 1.680 53.792 52.037 0.125 0.000 0.620 75 A CB -0.368 18.653 19.000 0.036 0.000 0.819 75 A HN 0.242 nan 8.150 nan 0.000 0.442 76 D N -0.329 120.130 120.400 0.099 0.000 2.117 76 D HA -0.130 4.510 4.640 -0.001 0.000 0.197 76 D C 1.885 178.308 176.300 0.205 0.000 0.987 76 D CA 1.351 55.426 54.000 0.125 0.000 0.829 76 D CB -0.421 40.417 40.800 0.062 0.000 0.961 76 D HN 0.363 nan 8.370 nan 0.000 0.460 77 L N 1.105 122.439 121.223 0.184 0.000 1.994 77 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 77 L C 2.223 179.238 176.870 0.242 0.000 1.071 77 L CA 1.409 56.370 54.840 0.202 0.000 0.745 77 L CB -0.554 41.639 42.059 0.224 0.000 0.892 77 L HN -0.034 nan 8.230 nan 0.000 0.431 78 I N -1.559 119.189 120.570 0.297 0.000 2.226 78 I HA -0.338 3.832 4.170 -0.001 0.000 0.245 78 I C 2.390 178.754 176.117 0.411 0.000 1.100 78 I CA 1.609 63.101 61.300 0.319 0.000 1.374 78 I CB -0.593 37.614 38.000 0.344 0.000 1.057 78 I HN 0.596 nan 8.210 nan 0.000 0.413 79 W N 2.252 123.659 121.300 0.178 0.000 2.358 79 W HA -0.269 4.391 4.660 -0.001 0.000 0.303 79 W C 2.348 178.995 176.519 0.213 0.000 1.208 79 W CA 2.055 59.462 57.345 0.104 0.000 1.274 79 W CB -0.059 29.343 29.460 -0.098 0.000 1.138 79 W HN 0.165 nan 8.180 nan 0.000 0.515 80 E N 0.696 121.046 120.200 0.250 0.000 2.047 80 E HA -0.213 4.136 4.350 -0.001 0.000 0.191 80 E C 2.008 178.615 176.600 0.012 0.000 0.987 80 E CA 1.908 58.373 56.400 0.108 0.000 0.799 80 E CB -0.513 29.272 29.700 0.141 0.000 0.752 80 E HN 0.135 nan 8.360 nan 0.000 0.449 81 E N -0.256 119.976 120.200 0.053 0.000 2.152 81 E HA -0.060 4.290 4.350 -0.001 0.000 0.192 81 E C 1.968 178.486 176.600 -0.136 0.000 0.983 81 E CA 0.815 57.197 56.400 -0.030 0.000 0.818 81 E CB 0.131 29.870 29.700 0.065 0.000 0.758 81 E HN 0.380 nan 8.360 nan 0.000 0.467 82 L N -1.473 119.733 121.223 -0.028 0.000 2.638 82 L HA 0.197 4.537 4.340 -0.001 0.000 0.232 82 L C 1.487 178.098 176.870 -0.432 0.000 1.099 82 L CA 0.039 54.770 54.840 -0.181 0.000 0.883 82 L CB 0.150 42.144 42.059 -0.108 0.000 1.136 82 L HN -0.009 nan 8.230 nan 0.000 0.492 83 F N -1.093 118.629 119.950 -0.380 0.000 2.637 83 F HA 0.186 4.713 4.527 -0.001 0.000 0.284 83 F C 1.978 177.487 175.800 -0.486 0.000 1.105 83 F CA -0.000 57.667 58.000 -0.555 0.000 1.356 83 F CB 0.478 38.789 39.000 -1.148 0.000 1.096 83 F HN -0.169 nan 8.300 nan 0.000 0.616 84 I N 0.228 120.653 120.570 -0.241 0.000 2.685 84 I HA -0.024 4.146 4.170 -0.001 0.000 0.251 84 I C 1.904 177.921 176.117 -0.167 0.000 1.102 84 I CA 1.034 62.229 61.300 -0.176 0.000 1.442 84 I CB -1.155 36.779 38.000 -0.111 0.000 1.194 84 I HN 0.032 nan 8.210 nan 0.000 0.448 85 K N 0.886 121.166 120.400 -0.200 0.000 2.211 85 K HA -0.048 4.272 4.320 -0.001 0.000 0.203 85 K C 0.135 176.526 176.600 -0.348 0.000 1.050 85 K CA 0.796 56.930 56.287 -0.254 0.000 0.945 85 K CB 0.117 32.443 32.500 -0.289 0.000 0.732 85 K HN 0.194 nan 8.250 nan 0.000 0.451 86 R N -0.339 119.932 120.500 -0.380 0.000 2.698 86 R HA 0.227 4.567 4.340 -0.001 0.000 0.275 86 R C -1.056 175.080 176.300 -0.274 0.000 1.001 86 R CA -0.396 55.482 56.100 -0.370 0.000 0.896 86 R CB 1.907 31.880 30.300 -0.545 0.000 1.218 86 R HN -0.145 nan 8.270 nan 0.000 0.462 87 S N 3.904 119.485 115.700 -0.198 0.000 2.549 87 S HA 0.117 4.587 4.470 -0.001 0.000 0.286 87 S C -1.839 172.619 174.600 -0.235 0.000 1.314 87 S CA -0.559 57.533 58.200 -0.179 0.000 1.062 87 S CB 0.442 63.575 63.200 -0.112 0.000 0.865 87 S HN 0.461 nan 8.310 nan 0.000 0.498 88 P HA 0.075 nan 4.420 nan 0.000 0.232 88 P C 0.839 177.977 177.300 -0.270 0.000 1.738 88 P CA -0.098 62.704 63.100 -0.496 0.000 0.948 88 P CB -0.544 30.647 31.700 -0.848 0.000 1.943 89 V N -1.133 118.683 119.914 -0.164 0.000 3.041 89 V HA -0.025 4.095 4.120 -0.001 0.000 0.260 89 V C 1.262 177.320 176.094 -0.059 0.000 1.105 89 V CA 0.570 62.817 62.300 -0.089 0.000 1.125 89 V CB -1.483 30.309 31.823 -0.053 0.000 0.730 89 V HN 0.372 nan 8.190 nan 0.000 0.479 90 S N 0.654 116.318 115.700 -0.060 0.000 2.580 90 S HA 0.055 4.525 4.470 -0.001 0.000 0.266 90 S C 1.126 175.734 174.600 0.014 0.000 1.354 90 S CA 0.652 58.848 58.200 -0.006 0.000 1.008 90 S CB 1.134 64.342 63.200 0.013 0.000 0.898 90 S HN 0.533 nan 8.310 nan 0.000 0.555 91 E N 1.895 122.141 120.200 0.077 0.000 2.077 91 E HA -0.103 4.246 4.350 -0.001 0.000 0.193 91 E C 2.045 178.716 176.600 0.119 0.000 0.989 91 E CA 1.924 58.401 56.400 0.129 0.000 0.800 91 E CB -0.953 28.870 29.700 0.205 0.000 0.746 91 E HN 0.809 nan 8.360 nan 0.000 0.452 92 A N -0.304 122.614 122.820 0.163 0.000 1.930 92 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 92 A C 2.555 180.151 177.584 0.019 0.000 1.175 92 A CA 1.389 53.525 52.037 0.164 0.000 0.627 92 A CB -0.889 18.322 19.000 0.351 0.000 0.815 92 A HN 0.499 nan 8.150 nan 0.000 0.443 93 C N -1.173 118.118 119.300 -0.015 0.000 2.466 93 C HA 0.001 4.461 4.460 -0.001 0.000 0.278 93 C C 2.790 177.751 174.990 -0.048 0.000 1.288 93 C CA 0.969 59.922 59.018 -0.109 0.000 1.722 93 C CB -1.133 26.322 27.740 -0.474 0.000 2.017 93 C HN 0.728 nan 8.230 nan 0.000 0.488 94 R N 1.222 121.682 120.500 -0.067 0.000 2.091 94 R HA -0.122 4.218 4.340 -0.001 0.000 0.238 94 R C 2.244 178.533 176.300 -0.019 0.000 1.136 94 R CA 2.129 58.221 56.100 -0.013 0.000 0.959 94 R CB -0.817 29.478 30.300 -0.008 0.000 0.856 94 R HN 0.538 nan 8.270 nan 0.000 0.437 95 G N 0.441 109.072 108.800 -0.281 0.000 2.440 95 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.218 95 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.218 95 G C 1.466 176.008 174.900 -0.595 0.000 1.154 95 G CA 0.999 45.431 45.100 -1.113 0.000 0.767 95 G HN 0.248 nan 8.290 nan 0.000 0.552 96 V N 1.114 120.887 119.914 -0.236 0.000 2.287 96 V HA -0.171 3.949 4.120 -0.001 0.000 0.248 96 V C 2.941 179.074 176.094 0.064 0.000 1.053 96 V CA 1.656 63.974 62.300 0.029 0.000 1.027 96 V CB -0.498 31.483 31.823 0.264 0.000 0.646 96 V HN 0.373 nan 8.190 nan 0.000 0.447 97 L N -0.393 120.902 121.223 0.120 0.000 2.042 97 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 97 L C 2.626 179.513 176.870 0.028 0.000 1.076 97 L CA 2.038 56.937 54.840 0.099 0.000 0.749 97 L CB -1.223 40.918 42.059 0.136 0.000 0.893 97 L HN 0.345 nan 8.230 nan 0.000 0.432 98 T N -0.857 113.723 114.554 0.042 0.000 2.746 98 T HA -0.190 4.160 4.350 -0.001 0.000 0.267 98 T C 2.073 176.771 174.700 -0.003 0.000 1.039 98 T CA 1.588 63.711 62.100 0.037 0.000 1.142 98 T CB -0.376 68.601 68.868 0.182 0.000 0.866 98 T HN 0.402 nan 8.240 nan 0.000 0.444 99 C N 1.024 120.342 119.300 0.031 0.000 2.432 99 C HA 0.035 4.494 4.460 -0.001 0.000 0.277 99 C C 2.689 177.666 174.990 -0.023 0.000 1.249 99 C CA 0.289 59.333 59.018 0.043 0.000 1.725 99 C CB -1.472 26.330 27.740 0.103 0.000 2.028 99 C HN 0.509 nan 8.230 nan 0.000 0.477 100 L N 0.479 121.662 121.223 -0.067 0.000 1.990 100 L HA -0.279 4.060 4.340 -0.001 0.000 0.213 100 L C 2.848 179.602 176.870 -0.193 0.000 1.072 100 L CA 2.049 56.773 54.840 -0.194 0.000 0.755 100 L CB -0.961 40.892 42.059 -0.343 0.000 0.889 100 L HN 0.479 nan 8.230 nan 0.000 0.432 101 Q N 0.057 119.780 119.800 -0.128 0.000 2.061 101 Q HA -0.208 4.131 4.340 -0.001 0.000 0.204 101 Q C 2.133 178.075 176.000 -0.097 0.000 0.984 101 Q CA 1.944 57.688 55.803 -0.098 0.000 0.846 101 Q CB -0.350 28.350 28.738 -0.063 0.000 0.902 101 Q HN 0.552 nan 8.270 nan 0.000 0.421 102 G N 0.775 109.522 108.800 -0.088 0.000 2.462 102 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.220 102 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.220 102 G C 1.211 176.061 174.900 -0.082 0.000 1.121 102 G CA 0.618 45.677 45.100 -0.068 0.000 0.758 102 G HN 0.350 nan 8.290 nan 0.000 0.559 103 L N 0.086 121.219 121.223 -0.150 0.000 2.591 103 L HA 0.289 4.629 4.340 -0.001 0.000 0.228 103 L C 2.001 178.691 176.870 -0.301 0.000 1.133 103 L CA 0.451 55.135 54.840 -0.260 0.000 0.880 103 L CB 0.183 41.959 42.059 -0.472 0.000 1.033 103 L HN 0.368 nan 8.230 nan 0.000 0.450 104 G N -0.067 108.621 108.800 -0.187 0.000 2.176 104 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.232 104 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.232 104 G C 0.186 175.010 174.900 -0.126 0.000 0.986 104 G CA -0.328 44.696 45.100 -0.126 0.000 0.643 104 G HN 0.186 nan 8.290 nan 0.000 0.522 105 L N 0.547 121.652 121.223 -0.197 0.000 2.399 105 L HA 0.628 4.968 4.340 -0.001 0.000 0.266 105 L C -0.012 176.813 176.870 -0.074 0.000 1.114 105 L CA -0.686 54.074 54.840 -0.133 0.000 0.804 105 L CB 1.158 43.047 42.059 -0.284 0.000 1.146 105 L HN 0.136 nan 8.230 nan 0.000 0.451 106 D N 1.535 121.977 120.400 0.071 0.000 2.453 106 D HA 0.305 4.945 4.640 -0.001 0.000 0.238 106 D C -1.965 174.451 176.300 0.193 0.000 1.088 106 D CA -1.870 52.186 54.000 0.093 0.000 0.854 106 D CB 1.814 42.676 40.800 0.103 0.000 1.076 106 D HN 0.097 nan 8.370 nan 0.000 0.533 107 P HA -0.057 nan 4.420 nan 0.000 0.225 107 P C 0.919 178.369 177.300 0.250 0.000 1.148 107 P CA 0.705 63.929 63.100 0.206 0.000 0.779 107 P CB 0.280 32.048 31.700 0.115 0.000 0.780 108 A N -0.234 122.690 122.820 0.173 0.000 1.972 108 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 108 A C 2.211 179.887 177.584 0.153 0.000 1.169 108 A CA 2.319 54.437 52.037 0.136 0.000 0.635 108 A CB -1.791 17.265 19.000 0.093 0.000 0.810 108 A HN 0.345 nan 8.150 nan 0.000 0.446 109 T N -4.057 110.608 114.554 0.186 0.000 3.043 109 T HA 0.003 4.353 4.350 -0.001 0.000 0.263 109 T C 0.991 175.786 174.700 0.159 0.000 1.094 109 T CA 0.668 62.851 62.100 0.138 0.000 1.127 109 T CB -0.352 68.571 68.868 0.090 0.000 0.905 109 T HN 0.578 nan 8.240 nan 0.000 0.490 110 R N 1.024 121.718 120.500 0.324 0.000 3.863 110 R HA -0.130 4.209 4.340 -0.001 0.000 0.313 110 R C -0.602 175.765 176.300 0.112 0.000 1.202 110 R CA 0.900 57.276 56.100 0.460 0.000 0.852 110 R CB -2.221 28.313 30.300 0.391 0.000 1.292 110 R HN 0.483 nan 8.270 nan 0.000 0.519 111 D N 1.221 121.427 120.400 -0.324 0.000 2.517 111 D HA 0.039 4.678 4.640 -0.001 0.000 0.220 111 D C 1.135 176.720 176.300 -1.190 0.000 1.158 111 D CA -0.121 53.532 54.000 -0.579 0.000 0.992 111 D CB 0.575 41.126 40.800 -0.414 0.000 1.058 111 D HN 0.070 nan 8.370 nan 0.000 0.516 112 L N 3.428 124.122 121.223 -0.881 0.000 2.079 112 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 112 L C 2.021 178.604 176.870 -0.478 0.000 1.081 112 L CA 1.769 56.120 54.840 -0.815 0.000 0.752 112 L CB -0.264 41.225 42.059 -0.951 0.000 0.896 112 L HN 0.304 nan 8.230 nan 0.000 0.433 113 Q N -0.736 118.846 119.800 -0.363 0.000 2.096 113 Q HA -0.141 4.198 4.340 -0.001 0.000 0.204 113 Q C 2.378 178.281 176.000 -0.162 0.000 0.982 113 Q CA 1.850 57.531 55.803 -0.203 0.000 0.850 113 Q CB -0.736 27.911 28.738 -0.152 0.000 0.901 113 Q HN 0.480 nan 8.270 nan 0.000 0.422 114 V N 0.453 120.216 119.914 -0.252 0.000 2.358 114 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 114 V C 2.027 178.115 176.094 -0.011 0.000 1.047 114 V CA 1.566 63.777 62.300 -0.147 0.000 1.035 114 V CB -0.777 30.933 31.823 -0.188 0.000 0.658 114 V HN 0.242 nan 8.190 nan 0.000 0.452 115 Y N 0.927 121.208 120.300 -0.031 0.000 2.165 115 Y HA -0.216 4.333 4.550 -0.001 0.000 0.286 115 Y C 2.640 178.644 175.900 0.174 0.000 1.155 115 Y CA 1.233 59.343 58.100 0.017 0.000 1.164 115 Y CB -1.055 37.393 38.460 -0.019 0.000 0.978 115 Y HN 0.182 nan 8.280 nan 0.000 0.513 116 R N 0.250 120.926 120.500 0.293 0.000 2.096 116 R HA -0.159 4.181 4.340 -0.001 0.000 0.235 116 R C 2.065 178.528 176.300 0.271 0.000 1.127 116 R CA 1.530 57.826 56.100 0.326 0.000 0.968 116 R CB -0.327 30.033 30.300 0.100 0.000 0.861 116 R HN 0.487 nan 8.270 nan 0.000 0.440 117 E N -0.442 119.844 120.200 0.144 0.000 2.160 117 E HA -0.257 4.093 4.350 -0.001 0.000 0.195 117 E C 1.531 178.181 176.600 0.083 0.000 0.991 117 E CA 1.205 57.658 56.400 0.088 0.000 0.810 117 E CB -0.173 29.553 29.700 0.044 0.000 0.742 117 E HN 0.415 nan 8.360 nan 0.000 0.466 118 Y N 0.506 120.771 120.300 -0.058 0.000 2.145 118 Y HA -0.272 4.277 4.550 -0.001 0.000 0.286 118 Y C 1.740 177.535 175.900 -0.175 0.000 1.145 118 Y CA 1.694 59.670 58.100 -0.206 0.000 1.148 118 Y CB -0.285 37.903 38.460 -0.454 0.000 0.981 118 Y HN -0.068 nan 8.280 nan 0.000 0.507 119 F N 0.132 120.215 119.950 0.222 0.000 2.234 119 F HA -0.045 4.481 4.527 -0.001 0.000 0.299 119 F C 2.607 178.469 175.800 0.104 0.000 1.087 119 F CA 0.957 59.088 58.000 0.218 0.000 1.340 119 F CB -1.214 37.918 39.000 0.220 0.000 1.031 119 F HN 0.148 nan 8.300 nan 0.000 0.500 120 A N 0.871 123.810 122.820 0.199 0.000 1.978 120 A HA -0.209 4.111 4.320 -0.001 0.000 0.220 120 A C 1.849 179.476 177.584 0.071 0.000 1.170 120 A CA 1.629 53.728 52.037 0.102 0.000 0.636 120 A CB -0.817 18.220 19.000 0.061 0.000 0.810 120 A HN 0.509 nan 8.150 nan 0.000 0.448 121 K N -0.266 120.141 120.400 0.011 0.000 2.577 121 K HA 0.315 4.635 4.320 -0.001 0.000 0.210 121 K C -0.487 176.090 176.600 -0.038 0.000 1.048 121 K CA -0.071 56.201 56.287 -0.024 0.000 1.188 121 K CB 0.141 32.602 32.500 -0.064 0.000 0.910 121 K HN 0.266 nan 8.250 nan 0.000 0.483 122 K N 0.936 121.363 120.400 0.046 0.000 2.482 122 K HA 0.209 4.528 4.320 -0.001 0.000 0.257 122 K C -0.490 176.204 176.600 0.157 0.000 0.969 122 K CA -0.809 55.497 56.287 0.031 0.000 0.842 122 K CB 2.079 34.538 32.500 -0.069 0.000 1.359 122 K HN 0.170 nan 8.250 nan 0.000 0.441 123 T N -2.111 112.461 114.554 0.031 0.000 2.881 123 T HA 0.181 4.530 4.350 -0.001 0.000 0.278 123 T C 1.069 175.668 174.700 -0.167 0.000 0.982 123 T CA -0.572 61.558 62.100 0.050 0.000 0.989 123 T CB 1.376 70.247 68.868 0.005 0.000 1.058 123 T HN 0.360 nan 8.240 nan 0.000 0.529 124 S N 0.573 116.210 115.700 -0.104 0.000 2.356 124 S HA -0.104 4.366 4.470 -0.001 0.000 0.223 124 S C 1.971 176.342 174.600 -0.382 0.000 1.032 124 S CA 1.437 59.382 58.200 -0.426 0.000 1.005 124 S CB -0.574 62.603 63.200 -0.038 0.000 0.867 124 S HN 0.828 nan 8.310 nan 0.000 0.449 125 E N 1.437 121.530 120.200 -0.178 0.000 2.118 125 E HA -0.143 4.206 4.350 -0.001 0.000 0.195 125 E C 2.032 178.553 176.600 -0.131 0.000 0.992 125 E CA 1.188 57.516 56.400 -0.120 0.000 0.804 125 E CB -0.245 29.416 29.700 -0.064 0.000 0.741 125 E HN 0.598 nan 8.360 nan 0.000 0.458 126 E N -0.095 120.011 120.200 -0.156 0.000 2.107 126 E HA -0.204 4.146 4.350 -0.001 0.000 0.191 126 E C 2.045 178.547 176.600 -0.163 0.000 0.982 126 E CA 0.960 57.281 56.400 -0.131 0.000 0.809 126 E CB -0.023 29.609 29.700 -0.114 0.000 0.756 126 E HN 0.090 nan 8.360 nan 0.000 0.459 127 Q N 0.871 120.482 119.800 -0.315 0.000 2.119 127 Q HA -0.103 4.237 4.340 -0.001 0.000 0.201 127 Q C 2.043 177.936 176.000 -0.177 0.000 0.972 127 Q CA 1.004 56.627 55.803 -0.300 0.000 0.847 127 Q CB -0.061 28.238 28.738 -0.731 0.000 0.903 127 Q HN 0.085 nan 8.270 nan 0.000 0.433 128 V N 0.827 120.625 119.914 -0.194 0.000 2.295 128 V HA -0.268 3.851 4.120 -0.001 0.000 0.246 128 V C 1.604 177.694 176.094 -0.006 0.000 1.049 128 V CA 2.207 64.478 62.300 -0.048 0.000 1.024 128 V CB -0.655 31.176 31.823 0.013 0.000 0.648 128 V HN 0.382 nan 8.190 nan 0.000 0.447 129 D N -0.237 120.148 120.400 -0.024 0.000 2.104 129 D HA -0.155 4.485 4.640 -0.001 0.000 0.194 129 D C 2.305 178.602 176.300 -0.005 0.000 0.994 129 D CA 1.949 55.942 54.000 -0.011 0.000 0.830 129 D CB -0.416 40.372 40.800 -0.020 0.000 0.959 129 D HN 0.384 nan 8.370 nan 0.000 0.452 130 T N -0.116 114.436 114.554 -0.005 0.000 2.622 130 T HA -0.142 4.208 4.350 -0.001 0.000 0.266 130 T C 2.178 176.897 174.700 0.032 0.000 1.047 130 T CA 1.154 63.269 62.100 0.024 0.000 1.159 130 T CB -0.574 68.330 68.868 0.061 0.000 0.863 130 T HN -0.046 nan 8.240 nan 0.000 0.422 131 V N 1.671 121.608 119.914 0.038 0.000 2.287 131 V HA -0.139 3.981 4.120 -0.001 0.000 0.248 131 V C 2.541 178.649 176.094 0.024 0.000 1.053 131 V CA 1.572 63.901 62.300 0.048 0.000 1.027 131 V CB -0.752 31.111 31.823 0.066 0.000 0.646 131 V HN 0.450 nan 8.190 nan 0.000 0.447 132 L N -0.246 120.980 121.223 0.005 0.000 2.131 132 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 132 L C 2.650 179.500 176.870 -0.033 0.000 1.092 132 L CA 1.557 56.380 54.840 -0.029 0.000 0.759 132 L CB -0.637 41.393 42.059 -0.047 0.000 0.903 132 L HN 0.431 nan 8.230 nan 0.000 0.435 133 Q N 0.773 120.564 119.800 -0.015 0.000 2.020 133 Q HA -0.149 4.191 4.340 -0.001 0.000 0.198 133 Q C 2.347 178.342 176.000 -0.009 0.000 0.974 133 Q CA 1.419 57.212 55.803 -0.016 0.000 0.829 133 Q CB -0.047 28.688 28.738 -0.006 0.000 0.894 133 Q HN 0.520 nan 8.270 nan 0.000 0.433 134 L N 0.286 121.514 121.223 0.008 0.000 2.083 134 L HA -0.127 4.212 4.340 -0.001 0.000 0.209 134 L C 2.237 179.123 176.870 0.027 0.000 1.083 134 L CA 1.208 56.060 54.840 0.019 0.000 0.752 134 L CB -0.443 41.633 42.059 0.028 0.000 0.899 134 L HN 0.166 nan 8.230 nan 0.000 0.433 135 A N -1.139 121.696 122.820 0.025 0.000 2.275 135 A HA -0.025 4.295 4.320 -0.001 0.000 0.212 135 A C 0.954 178.509 177.584 -0.049 0.000 1.201 135 A CA 0.092 52.152 52.037 0.038 0.000 0.843 135 A CB -0.348 18.701 19.000 0.082 0.000 0.873 135 A HN 0.535 nan 8.150 nan 0.000 0.492 136 N N -0.635 118.025 118.700 -0.068 0.000 2.716 136 N HA -0.145 4.595 4.740 -0.001 0.000 0.250 136 N C -0.762 174.628 175.510 -0.200 0.000 1.033 136 N CA 0.985 53.963 53.050 -0.119 0.000 0.727 136 N CB -1.616 36.796 38.487 -0.125 0.000 0.950 136 N HN 0.177 nan 8.380 nan 0.000 0.541 137 V N 1.081 120.880 119.914 -0.191 0.000 2.370 137 V HA 0.297 4.417 4.120 -0.001 0.000 0.279 137 V C 1.470 177.462 176.094 -0.171 0.000 1.029 137 V CA 0.220 62.369 62.300 -0.252 0.000 0.870 137 V CB 1.573 33.251 31.823 -0.242 0.000 0.984 137 V HN 0.485 nan 8.190 nan 0.000 0.451 138 S N 2.096 117.709 115.700 -0.145 0.000 2.475 138 S HA 0.193 4.662 4.470 -0.001 0.000 0.224 138 S C 0.322 174.889 174.600 -0.055 0.000 1.042 138 S CA -0.035 58.115 58.200 -0.083 0.000 0.935 138 S CB 0.300 63.475 63.200 -0.043 0.000 0.801 138 S HN 0.722 nan 8.310 nan 0.000 0.509 139 D N 0.920 121.300 120.400 -0.032 0.000 2.896 139 D HA 0.498 5.138 4.640 -0.001 0.000 0.241 139 D C -1.612 174.659 176.300 -0.048 0.000 1.188 139 D CA -0.331 53.711 54.000 0.070 0.000 0.879 139 D CB 2.709 43.705 40.800 0.327 0.000 1.553 139 D HN 0.038 nan 8.370 nan 0.000 0.515 140 V N 2.093 121.933 119.914 -0.123 0.000 2.409 140 V HA 0.249 4.369 4.120 -0.001 0.000 0.291 140 V C 0.201 176.297 176.094 0.003 0.000 1.020 140 V CA -0.787 61.409 62.300 -0.174 0.000 0.848 140 V CB 1.940 33.499 31.823 -0.441 0.000 0.990 140 V HN 0.306 nan 8.190 nan 0.000 0.430 141 V N 6.683 126.562 119.914 -0.059 0.000 2.432 141 V HA 0.428 4.548 4.120 -0.001 0.000 0.275 141 V C 0.364 176.391 176.094 -0.110 0.000 1.043 141 V CA -0.184 62.083 62.300 -0.055 0.000 0.925 141 V CB 1.325 33.028 31.823 -0.199 0.000 0.985 141 V HN 0.826 nan 8.190 nan 0.000 0.466 142 M N 2.810 122.358 119.600 -0.086 0.000 2.363 142 M HA 0.457 4.936 4.480 -0.001 0.000 0.280 142 M C -0.005 176.174 176.300 -0.201 0.000 1.182 142 M CA -0.333 54.836 55.300 -0.218 0.000 0.974 142 M CB 1.108 33.585 32.600 -0.204 0.000 1.452 142 M HN 0.441 nan 8.290 nan 0.000 0.507 143 T N 1.446 115.858 114.554 -0.237 0.000 2.912 143 T HA 0.375 4.725 4.350 -0.001 0.000 0.326 143 T C -1.021 173.730 174.700 0.086 0.000 1.080 143 T CA -0.719 61.348 62.100 -0.056 0.000 1.000 143 T CB -0.213 68.641 68.868 -0.022 0.000 1.008 143 T HN 0.511 nan 8.240 nan 0.000 0.473 144 N N 2.680 121.437 118.700 0.094 0.000 2.501 144 N HA 0.318 5.058 4.740 -0.001 0.000 0.245 144 N C -1.117 174.419 175.510 0.043 0.000 0.974 144 N CA -0.725 52.435 53.050 0.184 0.000 0.941 144 N CB 1.001 39.581 38.487 0.156 0.000 1.122 144 N HN 0.418 nan 8.380 nan 0.000 0.507 145 D N 2.819 123.296 120.400 0.128 0.000 2.428 145 D HA 0.165 4.805 4.640 -0.001 0.000 0.221 145 D C -1.573 174.669 176.300 -0.096 0.000 1.123 145 D CA -2.503 51.538 54.000 0.069 0.000 0.869 145 D CB 1.166 42.090 40.800 0.207 0.000 1.032 145 D HN 0.299 nan 8.370 nan 0.000 0.506 146 P HA -0.087 nan 4.420 nan 0.000 0.230 146 P C 0.887 177.827 177.300 -0.600 0.000 1.158 146 P CA 0.486 63.016 63.100 -0.949 0.000 0.769 146 P CB 0.015 30.434 31.700 -2.134 0.000 0.807 147 F N 0.323 120.275 119.950 0.003 0.000 2.710 147 F HA 0.114 4.641 4.527 -0.000 0.000 0.298 147 F C 1.053 176.974 175.800 0.202 0.000 1.137 147 F CA 0.041 58.177 58.000 0.227 0.000 1.444 147 F CB -0.647 38.486 39.000 0.220 0.000 1.111 147 F HN -0.084 nan 8.300 nan 0.000 0.580 148 D N -0.021 120.522 120.400 0.238 0.000 2.277 148 D HA 0.037 4.676 4.640 -0.001 0.000 0.249 148 D C 0.920 177.318 176.300 0.163 0.000 1.134 148 D CA -0.037 54.082 54.000 0.199 0.000 0.863 148 D CB 0.717 41.618 40.800 0.168 0.000 1.143 148 D HN -0.085 nan 8.370 nan 0.000 0.458 149 D N 2.943 123.447 120.400 0.173 0.000 2.123 149 D HA -0.178 4.462 4.640 -0.001 0.000 0.196 149 D C 1.249 177.615 176.300 0.109 0.000 0.992 149 D CA 0.929 55.022 54.000 0.155 0.000 0.833 149 D CB 0.059 40.951 40.800 0.154 0.000 0.954 149 D HN 0.487 nan 8.370 nan 0.000 0.455 150 N N 1.019 119.770 118.700 0.085 0.000 2.120 150 N HA -0.122 4.618 4.740 -0.001 0.000 0.188 150 N C 1.693 177.236 175.510 0.056 0.000 1.024 150 N CA 0.787 53.866 53.050 0.049 0.000 0.852 150 N CB -0.118 38.380 38.487 0.018 0.000 1.003 150 N HN 0.468 nan 8.380 nan 0.000 0.424 151 E N 0.676 120.932 120.200 0.092 0.000 2.076 151 E HA -0.092 4.257 4.350 -0.001 0.000 0.190 151 E C 2.087 178.869 176.600 0.302 0.000 0.979 151 E CA 0.367 56.874 56.400 0.179 0.000 0.807 151 E CB -0.025 29.807 29.700 0.221 0.000 0.761 151 E HN 0.275 nan 8.360 nan 0.000 0.454 152 R N 1.314 121.933 120.500 0.199 0.000 2.081 152 R HA -0.126 4.213 4.340 -0.001 0.000 0.235 152 R C 2.245 178.695 176.300 0.251 0.000 1.131 152 R CA 1.195 57.428 56.100 0.220 0.000 0.960 152 R CB -0.214 30.095 30.300 0.014 0.000 0.856 152 R HN 0.122 nan 8.270 nan 0.000 0.436 153 I N 0.571 121.224 120.570 0.138 0.000 2.286 153 I HA -0.239 3.930 4.170 -0.001 0.000 0.248 153 I C 2.175 178.322 176.117 0.049 0.000 1.115 153 I CA 1.141 62.490 61.300 0.082 0.000 1.392 153 I CB -0.204 37.826 38.000 0.049 0.000 1.065 153 I HN 0.201 nan 8.210 nan 0.000 0.418 154 S N -0.026 115.691 115.700 0.028 0.000 2.356 154 S HA -0.194 4.276 4.470 -0.001 0.000 0.223 154 S C 1.606 176.113 174.600 -0.156 0.000 1.032 154 S CA 1.455 59.567 58.200 -0.147 0.000 1.005 154 S CB -0.374 62.684 63.200 -0.236 0.000 0.867 154 S HN 0.456 nan 8.310 nan 0.000 0.449 155 W N 1.720 123.071 121.300 0.084 0.000 2.381 155 W HA 0.095 4.754 4.660 -0.001 0.000 0.301 155 W C 1.983 178.505 176.519 0.005 0.000 1.205 155 W CA 0.309 57.725 57.345 0.120 0.000 1.285 155 W CB -0.527 29.145 29.460 0.352 0.000 1.133 155 W HN 0.213 nan 8.180 nan 0.000 0.521 156 L N -0.104 121.252 121.223 0.222 0.000 2.141 156 L HA -0.163 4.176 4.340 -0.001 0.000 0.209 156 L C 1.567 178.434 176.870 -0.004 0.000 1.094 156 L CA 1.270 56.137 54.840 0.045 0.000 0.763 156 L CB -0.662 41.412 42.059 0.025 0.000 0.908 156 L HN 0.005 nan 8.230 nan 0.000 0.437 157 E N -0.201 119.987 120.200 -0.020 0.000 2.416 157 E HA 0.062 4.412 4.350 -0.001 0.000 0.189 157 E C 1.210 177.751 176.600 -0.097 0.000 1.091 157 E CA 0.407 56.769 56.400 -0.063 0.000 0.889 157 E CB 0.118 29.772 29.700 -0.077 0.000 1.015 157 E HN 0.526 nan 8.360 nan 0.000 0.479 158 G N 1.709 110.461 108.800 -0.081 0.000 2.176 158 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.253 158 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.253 158 G C 0.153 174.937 174.900 -0.194 0.000 0.979 158 G CA -0.275 44.766 45.100 -0.098 0.000 0.641 158 G HN 0.048 nan 8.290 nan 0.000 0.530 159 K N 1.228 121.410 120.400 -0.363 0.000 2.447 159 K HA 0.276 4.595 4.320 -0.001 0.000 0.281 159 K C 0.389 176.616 176.600 -0.621 0.000 1.031 159 K CA 0.593 56.474 56.287 -0.676 0.000 1.019 159 K CB 0.618 32.361 32.500 -1.263 0.000 0.918 159 K HN 0.474 nan 8.250 nan 0.000 0.476 160 Q N 3.297 122.866 119.800 -0.384 0.000 2.337 160 Q HA 0.372 4.712 4.340 -0.001 0.000 0.270 160 Q C -2.275 173.744 176.000 0.032 0.000 1.043 160 Q CA -2.010 53.727 55.803 -0.109 0.000 0.794 160 Q CB 2.197 30.928 28.738 -0.010 0.000 1.281 160 Q HN 0.388 nan 8.270 nan 0.000 0.446 161 P HA -0.001 nan 4.420 nan 0.000 0.272 161 P C -0.602 176.771 177.300 0.121 0.000 1.230 161 P CA -0.211 63.016 63.100 0.212 0.000 0.788 161 P CB 0.760 32.570 31.700 0.183 0.000 0.949 162 D N -0.641 119.832 120.400 0.123 0.000 2.371 162 D HA 0.005 4.645 4.640 -0.001 0.000 0.242 162 D C 1.356 177.713 176.300 0.094 0.000 1.218 162 D CA -0.428 53.637 54.000 0.109 0.000 0.945 162 D CB -0.058 40.817 40.800 0.126 0.000 1.137 162 D HN 0.265 nan 8.370 nan 0.000 0.464 163 S N 0.134 115.854 115.700 0.033 0.000 2.440 163 S HA -0.284 4.186 4.470 -0.001 0.000 0.240 163 S C 1.553 176.099 174.600 -0.090 0.000 1.014 163 S CA 0.791 58.969 58.200 -0.037 0.000 0.980 163 S CB -0.514 62.677 63.200 -0.015 0.000 0.775 163 S HN 0.551 nan 8.310 nan 0.000 0.499 164 R N -0.466 120.029 120.500 -0.008 0.000 2.240 164 R HA 0.302 4.642 4.340 -0.001 0.000 0.203 164 R C -0.504 175.625 176.300 -0.285 0.000 1.011 164 R CA 0.301 56.339 56.100 -0.104 0.000 1.007 164 R CB -0.030 30.185 30.300 -0.143 0.000 0.911 164 R HN 0.417 nan 8.270 nan 0.000 0.468 165 F N 0.138 119.996 119.950 -0.154 0.000 2.458 165 F HA 0.321 4.847 4.527 -0.001 0.000 0.336 165 F C 0.126 175.766 175.800 -0.267 0.000 1.114 165 F CA -1.021 56.919 58.000 -0.101 0.000 0.987 165 F CB 1.369 40.334 39.000 -0.058 0.000 1.130 165 F HN -0.091 nan 8.300 nan 0.000 0.458 166 H N 0.753 119.963 119.070 0.234 0.000 2.622 166 H HA 0.729 5.284 4.556 -0.001 0.000 0.363 166 H C -0.553 174.862 175.328 0.145 0.000 1.151 166 H CA -1.056 55.123 56.048 0.218 0.000 1.184 166 H CB 1.520 31.447 29.762 0.276 0.000 1.643 166 H HN 0.722 nan 8.280 nan 0.000 0.531 167 A N 1.305 124.274 122.820 0.248 0.000 2.293 167 A HA 0.773 5.093 4.320 -0.001 0.000 0.302 167 A C -0.479 177.047 177.584 -0.096 0.000 1.119 167 A CA -0.118 51.989 52.037 0.117 0.000 0.823 167 A CB 0.245 19.316 19.000 0.118 0.000 1.097 167 A HN 0.813 nan 8.150 nan 0.000 0.491 168 A N 1.526 124.231 122.820 -0.190 0.000 2.385 168 A HA 0.546 4.865 4.320 -0.001 0.000 0.290 168 A C -0.903 176.559 177.584 -0.204 0.000 1.094 168 A CA -0.492 51.314 52.037 -0.385 0.000 0.729 168 A CB 0.782 19.418 19.000 -0.606 0.000 1.194 168 A HN 1.461 nan 8.150 nan 0.000 0.442 169 L N 2.760 123.880 121.223 -0.171 0.000 2.454 169 L HA 0.460 4.800 4.340 -0.001 0.000 0.284 169 L C 0.462 177.327 176.870 -0.009 0.000 1.139 169 L CA -0.019 54.744 54.840 -0.129 0.000 0.911 169 L CB -0.231 41.749 42.059 -0.133 0.000 1.262 169 L HN 0.652 nan 8.230 nan 0.000 0.453 170 R N 4.221 124.731 120.500 0.017 0.000 2.347 170 R HA 0.348 4.688 4.340 -0.001 0.000 0.304 170 R C -0.182 176.227 176.300 0.183 0.000 1.072 170 R CA 0.240 56.410 56.100 0.116 0.000 0.980 170 R CB 0.281 30.666 30.300 0.142 0.000 0.986 170 R HN 0.779 nan 8.270 nan 0.000 0.448 171 L N 3.452 124.808 121.223 0.222 0.000 3.168 171 L HA 0.252 4.592 4.340 -0.001 0.000 0.277 171 L C 0.340 177.318 176.870 0.182 0.000 1.245 171 L CA -0.283 54.732 54.840 0.292 0.000 1.035 171 L CB 0.625 42.850 42.059 0.277 0.000 1.399 171 L HN 0.586 nan 8.230 nan 0.000 0.580 172 D N 1.523 122.011 120.400 0.147 0.000 2.133 172 D HA -0.181 4.458 4.640 -0.001 0.000 0.192 172 D C -0.606 175.678 176.300 -0.026 0.000 1.001 172 D CA 1.686 55.737 54.000 0.084 0.000 0.844 172 D CB -1.050 39.818 40.800 0.113 0.000 0.944 172 D HN 0.232 nan 8.370 nan 0.000 0.447 173 P HA -0.096 nan 4.420 nan 0.000 0.216 173 P C 1.699 178.734 177.300 -0.442 0.000 1.153 173 P CA 0.622 63.475 63.100 -0.410 0.000 0.848 173 P CB 0.038 31.263 31.700 -0.792 0.000 0.787 174 L N -1.302 119.614 121.223 -0.511 0.000 1.994 174 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 174 L C 2.002 178.889 176.870 0.029 0.000 1.071 174 L CA 2.060 56.809 54.840 -0.152 0.000 0.745 174 L CB -1.333 40.797 42.059 0.117 0.000 0.892 174 L HN -0.153 nan 8.230 nan 0.000 0.431 175 L N -0.224 121.019 121.223 0.033 0.000 2.131 175 L HA -0.042 4.297 4.340 -0.001 0.000 0.206 175 L C 1.890 178.795 176.870 0.057 0.000 1.087 175 L CA 1.264 56.137 54.840 0.055 0.000 0.767 175 L CB -0.841 41.285 42.059 0.111 0.000 0.917 175 L HN 0.369 nan 8.230 nan 0.000 0.441 176 N N -0.623 118.104 118.700 0.046 0.000 2.236 176 N HA 0.053 4.793 4.740 -0.001 0.000 0.196 176 N C 0.067 175.595 175.510 0.029 0.000 1.114 176 N CA 0.241 53.324 53.050 0.054 0.000 0.859 176 N CB 0.477 39.005 38.487 0.069 0.000 0.982 176 N HN 0.416 nan 8.380 nan 0.000 0.493 177 E N -0.631 119.568 120.200 -0.001 0.000 3.586 177 E HA 0.050 4.400 4.350 -0.001 0.000 0.175 177 E C -0.206 176.369 176.600 -0.043 0.000 0.980 177 E CA -0.182 56.203 56.400 -0.025 0.000 1.391 177 E CB 0.097 29.760 29.700 -0.061 0.000 1.101 177 E HN 0.081 nan 8.360 nan 0.000 0.440 178 Y N 2.196 122.423 120.300 -0.121 0.000 2.241 178 Y HA -0.262 4.288 4.550 -0.001 0.000 0.286 178 Y C 2.024 177.841 175.900 -0.138 0.000 1.166 178 Y CA 1.758 59.778 58.100 -0.133 0.000 1.203 178 Y CB 0.340 38.732 38.460 -0.113 0.000 0.977 178 Y HN 0.091 nan 8.280 nan 0.000 0.529 179 E N 0.027 120.146 120.200 -0.135 0.000 2.058 179 E HA -0.239 4.110 4.350 -0.001 0.000 0.194 179 E C 1.982 178.433 176.600 -0.248 0.000 0.997 179 E CA 1.800 58.088 56.400 -0.187 0.000 0.801 179 E CB -0.248 29.426 29.700 -0.043 0.000 0.746 179 E HN 0.599 nan 8.360 nan 0.000 0.450 180 Q N -0.758 118.955 119.800 -0.144 0.000 2.302 180 Q HA 0.058 4.398 4.340 -0.001 0.000 0.202 180 Q C 2.050 177.959 176.000 -0.151 0.000 0.936 180 Q CA 1.087 56.861 55.803 -0.049 0.000 0.886 180 Q CB -0.157 28.569 28.738 -0.020 0.000 0.986 180 Q HN 0.130 nan 8.270 nan 0.000 0.487 181 T N 1.403 115.792 114.554 -0.276 0.000 2.942 181 T HA -0.093 4.257 4.350 -0.001 0.000 0.265 181 T C 1.484 175.932 174.700 -0.419 0.000 1.062 181 T CA 1.192 63.101 62.100 -0.318 0.000 1.139 181 T CB -0.087 68.565 68.868 -0.360 0.000 0.883 181 T HN 0.443 nan 8.240 nan 0.000 0.468 182 K N 0.952 120.924 120.400 -0.713 0.000 2.211 182 K HA -0.176 4.144 4.320 -0.001 0.000 0.204 182 K C 1.747 178.064 176.600 -0.473 0.000 1.047 182 K CA 1.434 57.272 56.287 -0.747 0.000 0.935 182 K CB -0.441 31.387 32.500 -1.121 0.000 0.728 182 K HN 0.390 nan 8.250 nan 0.000 0.452 183 H N 1.201 120.109 119.070 -0.269 0.000 2.462 183 H HA 0.064 4.620 4.556 -0.001 0.000 0.292 183 H C 1.898 177.065 175.328 -0.268 0.000 1.049 183 H CA 1.107 57.031 56.048 -0.207 0.000 1.334 183 H CB 0.049 29.712 29.762 -0.165 0.000 1.404 183 H HN 0.329 nan 8.280 nan 0.000 0.544 184 R N 0.155 120.487 120.500 -0.279 0.000 2.161 184 R HA 0.066 4.406 4.340 -0.001 0.000 0.213 184 R C 2.452 178.212 176.300 -0.900 0.000 1.055 184 R CA 0.245 55.963 56.100 -0.638 0.000 0.996 184 R CB 0.052 29.954 30.300 -0.663 0.000 0.901 184 R HN 0.183 nan 8.270 nan 0.000 0.456 185 L N 1.131 122.096 121.223 -0.431 0.000 2.017 185 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 185 L C 2.631 179.576 176.870 0.125 0.000 1.073 185 L CA 1.544 56.358 54.840 -0.043 0.000 0.745 185 L CB -0.517 41.532 42.059 -0.016 0.000 0.894 185 L HN 0.223 nan 8.230 nan 0.000 0.432 186 R N -0.393 120.111 120.500 0.006 0.000 2.152 186 R HA -0.143 4.197 4.340 -0.001 0.000 0.232 186 R C 1.346 177.655 176.300 0.016 0.000 1.117 186 R CA 1.487 57.614 56.100 0.046 0.000 0.981 186 R CB -0.675 29.640 30.300 0.026 0.000 0.870 186 R HN 0.295 nan 8.270 nan 0.000 0.451 187 D N 0.178 120.517 120.400 -0.103 0.000 2.264 187 D HA -0.117 4.523 4.640 -0.001 0.000 0.208 187 D C 0.850 177.206 176.300 0.093 0.000 0.966 187 D CA 0.779 54.726 54.000 -0.089 0.000 0.864 187 D CB -0.037 40.618 40.800 -0.243 0.000 0.933 187 D HN 0.412 nan 8.370 nan 0.000 0.499 188 W N 0.093 121.493 121.300 0.166 0.000 3.330 188 W HA 0.406 5.066 4.660 -0.000 0.000 0.348 188 W C 1.300 177.787 176.519 -0.053 0.000 1.205 188 W CA 0.193 57.636 57.345 0.163 0.000 1.841 188 W CB -0.319 29.379 29.460 0.397 0.000 1.084 188 W HN 0.044 nan 8.180 nan 0.000 0.665 189 G N -0.052 108.803 108.800 0.091 0.000 2.175 189 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.244 189 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.244 189 G C -0.388 174.375 174.900 -0.228 0.000 0.982 189 G CA -0.398 44.635 45.100 -0.113 0.000 0.641 189 G HN 0.196 nan 8.290 nan 0.000 0.527 190 Y N 1.497 121.918 120.300 0.203 0.000 2.535 190 Y HA 0.478 5.028 4.550 -0.001 0.000 0.349 190 Y C 0.913 176.875 175.900 0.103 0.000 0.992 190 Y CA -0.960 57.246 58.100 0.177 0.000 1.248 190 Y CB 1.074 39.681 38.460 0.246 0.000 1.124 190 Y HN -0.134 nan 8.280 nan 0.000 0.520 191 K N 3.911 124.411 120.400 0.166 0.000 2.408 191 K HA 0.102 4.422 4.320 -0.001 0.000 0.231 191 K C -0.265 176.394 176.600 0.098 0.000 1.261 191 K CA -0.154 56.195 56.287 0.103 0.000 1.193 191 K CB -0.885 31.652 32.500 0.062 0.000 1.431 191 K HN 0.511 nan 8.250 nan 0.000 0.243 192 V N -0.215 119.770 119.914 0.118 0.000 2.555 192 V HA 0.204 4.323 4.120 -0.001 0.000 0.286 192 V C 0.543 176.682 176.094 0.074 0.000 1.044 192 V CA -0.967 61.399 62.300 0.110 0.000 1.026 192 V CB 0.593 32.528 31.823 0.187 0.000 0.981 192 V HN 0.264 nan 8.190 nan 0.000 0.480 193 N N 3.301 122.037 118.700 0.058 0.000 0.000 193 N HA 0.205 4.945 4.740 -0.001 0.000 0.000 193 N C 0.489 176.051 175.510 0.087 0.000 0.000 193 N CA -0.120 52.963 53.050 0.054 0.000 0.000 193 N CB 0.817 39.320 38.487 0.027 0.000 0.000 193 N HN 0.780 nan 8.380 nan 0.000 0.000 194 D N -0.326 120.120 120.400 0.076 0.000 2.149 194 D HA -0.094 4.546 4.640 -0.001 0.000 0.201 194 D C 0.326 176.703 176.300 0.128 0.000 0.972 194 D CA 1.185 55.238 54.000 0.089 0.000 0.835 194 D CB 0.118 40.959 40.800 0.069 0.000 0.966 194 D HN 0.627 nan 8.370 nan 0.000 0.476 195 E N -0.166 120.104 120.200 0.117 0.000 2.248 195 E HA 0.044 4.393 4.350 -0.001 0.000 0.272 195 E C -0.620 176.097 176.600 0.195 0.000 1.008 195 E CA -0.921 55.567 56.400 0.147 0.000 0.856 195 E CB 0.935 30.692 29.700 0.094 0.000 1.120 195 E HN 0.140 nan 8.360 nan 0.000 0.397 196 W N 5.985 127.311 121.300 0.043 0.000 2.290 196 W HA 0.064 4.723 4.660 -0.001 0.000 0.408 196 W C -0.970 175.562 176.519 0.023 0.000 0.966 196 W CA -0.412 56.951 57.345 0.030 0.000 1.579 196 W CB 0.138 29.599 29.460 0.001 0.000 1.662 196 W HN 0.731 nan 8.180 nan 0.000 0.341 197 N N 1.619 120.168 118.700 -0.252 0.000 2.906 197 N HA 0.078 4.817 4.740 -0.001 0.000 0.327 197 N C 0.648 175.964 175.510 -0.322 0.000 1.344 197 N CA -0.373 52.556 53.050 -0.202 0.000 0.823 197 N CB 0.442 38.877 38.487 -0.086 0.000 1.351 197 N HN 0.128 nan 8.380 nan 0.000 0.604 198 E N -0.073 120.019 120.200 -0.180 0.000 2.118 198 E HA -0.068 4.282 4.350 -0.001 0.000 0.195 198 E C 1.711 178.210 176.600 -0.168 0.000 0.992 198 E CA 2.096 58.403 56.400 -0.156 0.000 0.804 198 E CB -0.977 28.678 29.700 -0.076 0.000 0.741 198 E HN 0.778 nan 8.360 nan 0.000 0.458 199 G N -0.586 108.131 108.800 -0.139 0.000 2.433 199 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.216 199 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.216 199 G C 1.859 176.671 174.900 -0.147 0.000 1.186 199 G CA 1.014 46.053 45.100 -0.101 0.000 0.779 199 G HN 0.336 nan 8.290 nan 0.000 0.543 200 S N 0.584 116.136 115.700 -0.248 0.000 2.370 200 S HA -0.074 4.395 4.470 -0.001 0.000 0.226 200 S C 2.291 176.578 174.600 -0.522 0.000 1.033 200 S CA 1.026 59.029 58.200 -0.329 0.000 1.011 200 S CB -0.261 62.686 63.200 -0.422 0.000 0.852 200 S HN 0.373 nan 8.310 nan 0.000 0.457 201 I N 1.568 121.687 120.570 -0.752 0.000 2.163 201 I HA -0.232 3.938 4.170 -0.001 0.000 0.243 201 I C 2.727 178.729 176.117 -0.191 0.000 1.085 201 I CA 1.125 62.080 61.300 -0.575 0.000 1.347 201 I CB -0.365 37.374 38.000 -0.435 0.000 1.044 201 I HN 0.262 nan 8.210 nan 0.000 0.408 202 Q N 0.443 120.166 119.800 -0.129 0.000 2.084 202 Q HA -0.191 4.149 4.340 -0.001 0.000 0.202 202 Q C 2.112 178.143 176.000 0.052 0.000 0.978 202 Q CA 1.336 57.128 55.803 -0.019 0.000 0.844 202 Q CB -0.350 28.381 28.738 -0.011 0.000 0.898 202 Q HN 0.518 nan 8.270 nan 0.000 0.426 203 E N 0.083 120.319 120.200 0.061 0.000 2.106 203 E HA -0.078 4.272 4.350 -0.001 0.000 0.192 203 E C 2.194 178.924 176.600 0.216 0.000 0.984 203 E CA 0.556 57.073 56.400 0.195 0.000 0.806 203 E CB -0.015 29.810 29.700 0.208 0.000 0.750 203 E HN 0.131 nan 8.360 nan 0.000 0.458 204 V N 1.617 121.610 119.914 0.132 0.000 2.427 204 V HA -0.221 3.898 4.120 -0.001 0.000 0.248 204 V C 2.261 178.466 176.094 0.184 0.000 1.051 204 V CA 1.533 63.938 62.300 0.175 0.000 1.048 204 V CB -0.328 31.622 31.823 0.210 0.000 0.666 204 V HN 0.198 nan 8.190 nan 0.000 0.456 205 K N -0.284 120.194 120.400 0.130 0.000 2.057 205 K HA -0.163 4.156 4.320 -0.001 0.000 0.207 205 K C 2.433 179.105 176.600 0.120 0.000 1.049 205 K CA 1.301 57.653 56.287 0.108 0.000 0.931 205 K CB -0.239 32.309 32.500 0.080 0.000 0.714 205 K HN 0.287 nan 8.250 nan 0.000 0.440 206 R N 0.075 120.673 120.500 0.163 0.000 2.091 206 R HA -0.158 4.182 4.340 -0.001 0.000 0.238 206 R C 2.243 178.661 176.300 0.197 0.000 1.136 206 R CA 1.530 57.757 56.100 0.212 0.000 0.959 206 R CB -0.324 30.175 30.300 0.332 0.000 0.856 206 R HN 0.158 nan 8.270 nan 0.000 0.437 207 F N 1.388 121.266 119.950 -0.120 0.000 2.095 207 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 207 F C 1.877 177.672 175.800 -0.009 0.000 1.104 207 F CA 1.561 59.308 58.000 -0.422 0.000 1.232 207 F CB -0.339 38.313 39.000 -0.581 0.000 0.987 207 F HN -0.050 nan 8.300 nan 0.000 0.475 208 L N -0.663 120.597 121.223 0.062 0.000 2.017 208 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 208 L C 2.363 179.161 176.870 -0.120 0.000 1.073 208 L CA 1.871 56.693 54.840 -0.031 0.000 0.745 208 L CB -1.313 40.764 42.059 0.031 0.000 0.894 208 L HN 0.153 nan 8.230 nan 0.000 0.432 209 T N -0.955 113.546 114.554 -0.090 0.000 2.708 209 T HA -0.176 4.174 4.350 -0.001 0.000 0.266 209 T C 1.484 176.105 174.700 -0.131 0.000 1.037 209 T CA 1.465 63.489 62.100 -0.126 0.000 1.146 209 T CB -0.265 68.599 68.868 -0.008 0.000 0.865 209 T HN 0.311 nan 8.240 nan 0.000 0.435 210 D N 0.133 120.456 120.400 -0.129 0.000 2.123 210 D HA -0.094 4.546 4.640 -0.001 0.000 0.196 210 D C 1.732 177.779 176.300 -0.421 0.000 0.992 210 D CA 1.018 54.872 54.000 -0.243 0.000 0.833 210 D CB -0.309 40.350 40.800 -0.235 0.000 0.954 210 D HN 0.557 nan 8.370 nan 0.000 0.455 211 W N 0.892 121.961 121.300 -0.386 0.000 2.436 211 W HA 0.105 4.765 4.660 -0.001 0.000 0.284 211 W C 2.376 178.678 176.519 -0.361 0.000 1.225 211 W CA -0.018 57.058 57.345 -0.449 0.000 1.271 211 W CB -0.250 28.817 29.460 -0.654 0.000 1.114 211 W HN -0.079 nan 8.180 nan 0.000 0.559 212 I N 0.187 120.684 120.570 -0.123 0.000 2.315 212 I HA -0.259 3.910 4.170 -0.001 0.000 0.248 212 I C 1.992 178.042 176.117 -0.113 0.000 1.117 212 I CA 1.422 62.633 61.300 -0.148 0.000 1.404 212 I CB -0.397 37.443 38.000 -0.266 0.000 1.071 212 I HN 0.032 nan 8.210 nan 0.000 0.419 213 E N 0.359 120.488 120.200 -0.119 0.000 2.106 213 E HA -0.231 4.119 4.350 -0.001 0.000 0.192 213 E C 2.253 178.803 176.600 -0.084 0.000 0.984 213 E CA 0.805 57.159 56.400 -0.076 0.000 0.806 213 E CB -0.089 29.566 29.700 -0.076 0.000 0.750 213 E HN 0.360 nan 8.360 nan 0.000 0.458 214 R N 0.313 120.717 120.500 -0.160 0.000 2.093 214 R HA 0.002 4.342 4.340 -0.001 0.000 0.224 214 R C 2.035 178.315 176.300 -0.034 0.000 1.101 214 R CA 1.013 57.038 56.100 -0.126 0.000 0.979 214 R CB 0.140 30.244 30.300 -0.326 0.000 0.877 214 R HN 0.140 nan 8.270 nan 0.000 0.441 215 M N -0.496 118.998 119.600 -0.178 0.000 2.534 215 M HA 0.040 4.520 4.480 -0.001 0.000 0.263 215 M C -0.039 176.234 176.300 -0.045 0.000 1.152 215 M CA 0.378 55.487 55.300 -0.319 0.000 1.145 215 M CB 0.371 32.599 32.600 -0.619 0.000 1.333 215 M HN 0.005 nan 8.290 nan 0.000 0.477 216 D N 1.705 122.088 120.400 -0.028 0.000 2.737 216 D HA -0.092 4.548 4.640 -0.001 0.000 0.238 216 D C -2.322 174.001 176.300 0.039 0.000 1.157 216 D CA 0.086 54.103 54.000 0.029 0.000 0.694 216 D CB -0.248 40.601 40.800 0.081 0.000 1.021 216 D HN 0.180 nan 8.370 nan 0.000 0.420 217 P HA 0.064 nan 4.420 nan 0.000 0.274 217 P C 1.357 178.648 177.300 -0.015 0.000 1.231 217 P CA -0.241 62.827 63.100 -0.054 0.000 0.790 217 P CB 1.336 32.956 31.700 -0.134 0.000 0.951 218 V N -0.611 119.279 119.914 -0.040 0.000 3.041 218 V HA 0.051 4.170 4.120 -0.001 0.000 0.260 218 V C 0.443 176.578 176.094 0.069 0.000 1.105 218 V CA 0.928 63.252 62.300 0.040 0.000 1.125 218 V CB -2.011 29.893 31.823 0.134 0.000 0.730 218 V HN 0.682 nan 8.190 nan 0.000 0.479 219 Y N -3.758 116.557 120.300 0.024 0.000 2.732 219 Y HA 0.705 5.254 4.550 -0.001 0.000 0.342 219 Y C -1.164 174.742 175.900 0.010 0.000 1.203 219 Y CA -2.411 55.689 58.100 0.000 0.000 1.092 219 Y CB 0.596 39.053 38.460 -0.005 0.000 1.345 219 Y HN -0.055 nan 8.280 nan 0.000 0.458 220 M N 2.542 122.331 119.600 0.315 0.000 2.300 220 M HA 0.835 5.315 4.480 -0.001 0.000 0.348 220 M C -0.309 176.248 176.300 0.427 0.000 1.151 220 M CA -0.612 54.844 55.300 0.261 0.000 1.046 220 M CB 1.858 34.557 32.600 0.165 0.000 1.647 220 M HN 0.933 nan 8.290 nan 0.000 0.451 221 A N 2.431 125.442 122.820 0.320 0.000 2.485 221 A HA 0.976 5.295 4.320 -0.001 0.000 0.292 221 A C -1.506 176.175 177.584 0.161 0.000 1.147 221 A CA -0.767 51.390 52.037 0.200 0.000 0.750 221 A CB 2.138 21.252 19.000 0.189 0.000 1.331 221 A HN 0.675 nan 8.150 nan 0.000 0.419 222 V N 0.298 120.221 119.914 0.014 0.000 3.098 222 V HA 0.643 4.763 4.120 -0.001 0.000 0.294 222 V C -0.784 175.269 176.094 -0.069 0.000 1.351 222 V CA 0.181 62.504 62.300 0.037 0.000 0.999 222 V CB 2.387 34.282 31.823 0.120 0.000 1.104 222 V HN 1.834 nan 8.190 nan 0.000 0.438 223 S N 6.543 122.259 115.700 0.026 0.000 2.525 223 S HA 0.905 5.375 4.470 -0.001 0.000 0.290 223 S C -0.901 173.740 174.600 0.067 0.000 1.152 223 S CA -0.668 57.575 58.200 0.071 0.000 1.072 223 S CB 1.465 64.831 63.200 0.276 0.000 1.027 223 S HN 0.799 nan 8.310 nan 0.000 0.500 224 L N 2.647 123.893 121.223 0.038 0.000 2.333 224 L HA 0.676 5.015 4.340 -0.001 0.000 0.263 224 L C -2.380 174.554 176.870 0.106 0.000 1.014 224 L CA -2.676 52.173 54.840 0.016 0.000 0.820 224 L CB 2.668 44.577 42.059 -0.250 0.000 1.352 224 L HN 0.504 nan 8.230 nan 0.000 0.421 225 P HA 0.237 nan 4.420 nan 0.000 0.276 225 P C -2.487 174.891 177.300 0.130 0.000 1.261 225 P CA -1.667 61.509 63.100 0.126 0.000 0.800 225 P CB 0.651 32.425 31.700 0.122 0.000 1.066 226 P HA -0.111 nan 4.420 nan 0.000 0.219 226 P C 1.264 178.615 177.300 0.085 0.000 1.146 226 P CA 1.955 65.088 63.100 0.055 0.000 0.808 226 P CB -0.589 31.107 31.700 -0.006 0.000 0.779 227 T N -5.057 109.553 114.554 0.094 0.000 3.169 227 T HA 0.059 4.409 4.350 -0.001 0.000 0.250 227 T C 0.333 175.099 174.700 0.110 0.000 1.111 227 T CA -0.506 61.640 62.100 0.078 0.000 1.010 227 T CB -1.216 67.682 68.868 0.050 0.000 0.984 227 T HN -0.121 nan 8.240 nan 0.000 0.537 228 F N 3.244 123.213 119.950 0.031 0.000 2.608 228 F HA 0.399 4.926 4.527 -0.001 0.000 0.380 228 F C -0.023 175.806 175.800 0.048 0.000 1.083 228 F CA -0.124 57.903 58.000 0.046 0.000 1.266 228 F CB 0.235 39.268 39.000 0.054 0.000 1.076 228 F HN 0.062 nan 8.300 nan 0.000 0.574 229 S N 5.848 121.055 115.700 -0.822 0.000 2.588 229 S HA 0.762 5.232 4.470 -0.001 0.000 0.275 229 S C -1.769 172.374 174.600 -0.761 0.000 1.130 229 S CA -0.588 57.227 58.200 -0.642 0.000 0.855 229 S CB 2.031 65.048 63.200 -0.304 0.000 1.116 229 S HN 0.600 nan 8.310 nan 0.000 0.472 230 F N 2.686 122.282 119.950 -0.590 0.000 2.652 230 F HA 0.455 4.982 4.527 -0.000 0.000 0.320 230 F C -2.745 172.797 175.800 -0.430 0.000 1.115 230 F CA -1.227 56.513 58.000 -0.434 0.000 1.053 230 F CB 1.388 40.199 39.000 -0.315 0.000 1.297 230 F HN 0.360 nan 8.300 nan 0.000 0.471 231 P HA 0.213 nan 4.420 nan 0.000 0.271 231 P C -1.494 175.350 177.300 -0.761 0.000 1.233 231 P CA 0.060 62.299 63.100 -1.436 0.000 0.789 231 P CB 1.436 32.528 31.700 -1.012 0.000 0.951 232 E N 0.056 119.859 120.200 -0.661 0.000 2.347 232 E HA 0.106 4.455 4.350 -0.001 0.000 0.285 232 E C -0.948 175.475 176.600 -0.296 0.000 0.925 232 E CA -0.404 55.770 56.400 -0.376 0.000 0.779 232 E CB 1.207 30.725 29.700 -0.304 0.000 1.233 232 E HN 0.211 nan 8.360 nan 0.000 0.414 233 E N 2.423 122.492 120.200 -0.218 0.000 1.852 233 E HA 0.172 4.521 4.350 -0.001 0.000 0.276 233 E C -0.800 175.706 176.600 -0.157 0.000 1.163 233 E CA 0.112 56.405 56.400 -0.178 0.000 1.117 233 E CB 0.328 29.950 29.700 -0.129 0.000 1.124 233 E HN 0.478 nan 8.360 nan 0.000 0.458 234 S N 0.412 116.000 115.700 -0.187 0.000 2.685 234 S HA 0.383 4.853 4.470 -0.001 0.000 0.282 234 S C 0.845 175.300 174.600 -0.243 0.000 1.159 234 S CA -0.875 57.230 58.200 -0.159 0.000 0.833 234 S CB 1.167 64.300 63.200 -0.111 0.000 1.151 234 S HN 0.086 nan 8.310 nan 0.000 0.485 235 N N 0.929 119.498 118.700 -0.219 0.000 2.120 235 N HA -0.109 4.631 4.740 -0.001 0.000 0.188 235 N C 1.745 177.026 175.510 -0.383 0.000 1.024 235 N CA 1.354 54.179 53.050 -0.375 0.000 0.852 235 N CB -0.572 37.820 38.487 -0.159 0.000 1.003 235 N HN 0.687 nan 8.380 nan 0.000 0.424 236 R N 0.596 120.998 120.500 -0.164 0.000 2.073 236 R HA -0.080 4.260 4.340 -0.001 0.000 0.234 236 R C 2.269 178.555 176.300 -0.023 0.000 1.134 236 R CA 1.714 57.785 56.100 -0.048 0.000 0.952 236 R CB -0.588 29.767 30.300 0.093 0.000 0.850 236 R HN 0.208 nan 8.270 nan 0.000 0.433 237 G N 0.371 109.132 108.800 -0.064 0.000 2.421 237 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.216 237 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.216 237 G C 1.416 176.251 174.900 -0.109 0.000 1.171 237 G CA 0.693 45.756 45.100 -0.062 0.000 0.775 237 G HN 0.310 nan 8.290 nan 0.000 0.543 238 R N -0.210 120.100 120.500 -0.317 0.000 2.066 238 R HA 0.091 4.431 4.340 -0.001 0.000 0.232 238 R C 2.632 178.739 176.300 -0.322 0.000 1.131 238 R CA 1.032 56.878 56.100 -0.424 0.000 0.955 238 R CB -0.401 29.310 30.300 -0.981 0.000 0.851 238 R HN 0.369 nan 8.270 nan 0.000 0.432 239 I N 0.739 121.017 120.570 -0.486 0.000 2.179 239 I HA -0.301 3.868 4.170 -0.001 0.000 0.242 239 I C 2.297 178.396 176.117 -0.031 0.000 1.088 239 I CA 1.435 62.598 61.300 -0.229 0.000 1.357 239 I CB -0.243 37.570 38.000 -0.311 0.000 1.051 239 I HN 0.147 nan 8.210 nan 0.000 0.409 240 I N 0.166 120.732 120.570 -0.007 0.000 2.226 240 I HA -0.298 3.871 4.170 -0.001 0.000 0.245 240 I C 2.809 178.934 176.117 0.013 0.000 1.100 240 I CA 1.308 62.602 61.300 -0.011 0.000 1.374 240 I CB -0.383 37.701 38.000 0.140 0.000 1.057 240 I HN 0.214 nan 8.210 nan 0.000 0.413 241 R N 0.765 121.375 120.500 0.183 0.000 2.062 241 R HA -0.141 4.198 4.340 -0.001 0.000 0.229 241 R C 1.597 177.998 176.300 0.169 0.000 1.128 241 R CA 1.706 57.942 56.100 0.227 0.000 0.960 241 R CB -0.002 30.482 30.300 0.306 0.000 0.855 241 R HN 0.297 nan 8.270 nan 0.000 0.432 242 D N -0.864 119.657 120.400 0.201 0.000 2.271 242 D HA -0.012 4.628 4.640 -0.001 0.000 0.206 242 D C 1.549 177.954 176.300 0.175 0.000 0.967 242 D CA 0.704 54.846 54.000 0.236 0.000 0.867 242 D CB 0.291 41.338 40.800 0.412 0.000 0.960 242 D HN 0.315 nan 8.370 nan 0.000 0.509 243 C N -0.026 119.365 119.300 0.152 0.000 2.374 243 C HA 0.208 4.668 4.460 -0.001 0.000 0.412 243 C C 2.382 177.371 174.990 -0.001 0.000 1.421 243 C CA -0.434 58.643 59.018 0.098 0.000 2.484 243 C CB -0.304 27.533 27.740 0.163 0.000 2.598 243 C HN 0.216 nan 8.230 nan 0.000 0.584 244 L N 1.791 122.967 121.223 -0.078 0.000 1.970 244 L HA -0.084 4.256 4.340 -0.001 0.000 0.212 244 L C 2.264 178.969 176.870 -0.275 0.000 1.071 244 L CA 2.186 56.888 54.840 -0.231 0.000 0.751 244 L CB -1.239 40.558 42.059 -0.436 0.000 0.889 244 L HN 0.394 nan 8.230 nan 0.000 0.432 245 L N -0.150 120.894 121.223 -0.297 0.000 1.994 245 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 245 L C 0.039 176.828 176.870 -0.134 0.000 1.071 245 L CA 1.350 56.012 54.840 -0.297 0.000 0.745 245 L CB -2.129 39.656 42.059 -0.456 0.000 0.892 245 L HN 0.227 nan 8.230 nan 0.000 0.431 246 P HA -0.142 nan 4.420 nan 0.000 0.215 246 P C 1.979 179.295 177.300 0.027 0.000 1.153 246 P CA 1.202 64.314 63.100 0.021 0.000 0.853 246 P CB 0.066 31.797 31.700 0.053 0.000 0.788 247 V N 0.034 119.957 119.914 0.014 0.000 2.307 247 V HA -0.237 3.883 4.120 -0.001 0.000 0.245 247 V C 2.459 178.594 176.094 0.069 0.000 1.045 247 V CA 2.220 64.556 62.300 0.059 0.000 1.024 247 V CB -1.721 30.093 31.823 -0.014 0.000 0.651 247 V HN 0.093 nan 8.190 nan 0.000 0.449 248 A N -0.467 122.321 122.820 -0.052 0.000 1.908 248 A HA -0.291 4.029 4.320 -0.001 0.000 0.218 248 A C 2.291 179.855 177.584 -0.033 0.000 1.181 248 A CA 2.104 54.096 52.037 -0.074 0.000 0.627 248 A CB -0.525 18.364 19.000 -0.185 0.000 0.818 248 A HN 0.631 nan 8.150 nan 0.000 0.445 249 E N -0.194 119.984 120.200 -0.038 0.000 2.077 249 E HA -0.248 4.102 4.350 -0.001 0.000 0.193 249 E C 2.090 178.689 176.600 -0.000 0.000 0.989 249 E CA 1.517 57.903 56.400 -0.023 0.000 0.800 249 E CB -0.146 29.557 29.700 0.005 0.000 0.746 249 E HN 0.635 nan 8.360 nan 0.000 0.452 250 K N -0.402 120.018 120.400 0.034 0.000 2.032 250 K HA -0.188 4.131 4.320 -0.001 0.000 0.209 250 K C 1.404 177.932 176.600 -0.120 0.000 1.048 250 K CA 1.836 58.107 56.287 -0.026 0.000 0.927 250 K CB -0.114 32.383 32.500 -0.005 0.000 0.712 250 K HN 0.233 nan 8.250 nan 0.000 0.441 251 H N -0.171 118.874 119.070 -0.042 0.000 2.526 251 H HA 0.160 4.716 4.556 -0.001 0.000 0.274 251 H C -0.216 175.079 175.328 -0.056 0.000 0.999 251 H CA 0.431 56.454 56.048 -0.041 0.000 1.157 251 H CB -0.224 29.517 29.762 -0.037 0.000 1.407 251 H HN 0.367 nan 8.280 nan 0.000 0.568 252 N N 0.885 119.595 118.700 0.015 0.000 2.716 252 N HA -0.194 4.545 4.740 -0.001 0.000 0.250 252 N C -0.967 174.502 175.510 -0.067 0.000 1.033 252 N CA -0.131 52.889 53.050 -0.050 0.000 0.727 252 N CB -0.779 37.670 38.487 -0.064 0.000 0.950 252 N HN 0.348 nan 8.380 nan 0.000 0.541 253 I N 1.409 121.954 120.570 -0.042 0.000 2.336 253 I HA 0.357 4.527 4.170 -0.001 0.000 0.292 253 I C -1.815 174.251 176.117 -0.084 0.000 0.991 253 I CA -1.982 59.292 61.300 -0.044 0.000 1.227 253 I CB 1.425 39.424 38.000 -0.002 0.000 1.366 253 I HN 0.005 nan 8.210 nan 0.000 0.466 254 P HA 0.010 nan 4.420 nan 0.000 0.272 254 P C -0.958 176.370 177.300 0.047 0.000 1.223 254 P CA -0.089 62.949 63.100 -0.104 0.000 0.784 254 P CB 0.771 32.419 31.700 -0.088 0.000 0.923 255 F N 2.001 121.809 119.950 -0.237 0.000 2.388 255 F HA 0.559 5.086 4.527 -0.001 0.000 0.358 255 F C -0.597 175.151 175.800 -0.087 0.000 1.122 255 F CA -1.720 56.181 58.000 -0.165 0.000 1.056 255 F CB 0.621 39.456 39.000 -0.275 0.000 1.155 255 F HN 0.360 nan 8.300 nan 0.000 0.461 256 A N 8.158 130.811 122.820 -0.278 0.000 2.289 256 A HA 0.687 5.006 4.320 -0.001 0.000 0.298 256 A C -0.627 176.573 177.584 -0.640 0.000 1.208 256 A CA -0.547 51.206 52.037 -0.475 0.000 0.845 256 A CB 0.164 18.750 19.000 -0.690 0.000 1.125 256 A HN 0.808 nan 8.150 nan 0.000 0.517 257 M N 3.714 122.982 119.600 -0.554 0.000 2.190 257 M HA 0.390 4.869 4.480 -0.001 0.000 0.312 257 M C -0.820 175.224 176.300 -0.427 0.000 0.990 257 M CA 0.206 55.159 55.300 -0.577 0.000 0.927 257 M CB 1.728 33.953 32.600 -0.625 0.000 1.571 257 M HN 0.603 nan 8.290 nan 0.000 0.427 258 M N 5.609 124.947 119.600 -0.436 0.000 2.055 258 M HA 0.519 4.999 4.480 -0.001 0.000 0.346 258 M C -0.958 175.241 176.300 -0.169 0.000 1.074 258 M CA -0.282 54.676 55.300 -0.571 0.000 1.009 258 M CB 0.478 32.424 32.600 -1.090 0.000 1.423 258 M HN 0.611 nan 8.290 nan 0.000 0.410 259 I N 1.477 122.030 120.570 -0.028 0.000 2.392 259 I HA 0.620 4.790 4.170 -0.001 0.000 0.295 259 I C 1.034 177.289 176.117 0.229 0.000 0.985 259 I CA -0.181 61.169 61.300 0.083 0.000 1.221 259 I CB 1.739 39.720 38.000 -0.033 0.000 1.366 259 I HN 0.995 nan 8.210 nan 0.000 0.467 260 G N 3.925 112.825 108.800 0.166 0.000 2.205 260 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.180 260 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.180 260 G C -0.190 174.707 174.900 -0.005 0.000 1.004 260 G CA -0.227 44.915 45.100 0.071 0.000 0.670 260 G HN 0.507 nan 8.290 nan 0.000 0.496 261 V N 1.250 121.219 119.914 0.092 0.000 2.530 261 V HA 0.662 4.782 4.120 -0.001 0.000 0.282 261 V C 0.436 176.557 176.094 0.045 0.000 1.048 261 V CA -0.085 62.227 62.300 0.020 0.000 0.997 261 V CB 1.365 33.329 31.823 0.235 0.000 0.987 261 V HN 0.266 nan 8.190 nan 0.000 0.477 262 K N 6.526 126.922 120.400 -0.006 0.000 2.354 262 K HA 0.355 4.674 4.320 -0.001 0.000 0.257 262 K C -0.222 176.446 176.600 0.112 0.000 1.062 262 K CA -0.718 55.603 56.287 0.058 0.000 0.971 262 K CB 0.320 32.852 32.500 0.054 0.000 1.305 262 K HN 0.568 nan 8.250 nan 0.000 0.449 263 K N 2.917 123.394 120.400 0.128 0.000 2.485 263 K HA -0.027 4.293 4.320 -0.001 0.000 0.277 263 K C -0.057 176.618 176.600 0.125 0.000 0.990 263 K CA 0.140 56.514 56.287 0.144 0.000 0.994 263 K CB 0.336 32.918 32.500 0.137 0.000 0.906 263 K HN 0.553 nan 8.250 nan 0.000 0.488 264 R N -0.283 120.295 120.500 0.130 0.000 2.955 264 R HA -0.171 4.169 4.340 -0.001 0.000 0.239 264 R C 1.019 177.383 176.300 0.107 0.000 0.848 264 R CA 0.734 56.902 56.100 0.113 0.000 0.586 264 R CB -2.517 27.837 30.300 0.089 0.000 1.098 264 R HN 0.568 nan 8.270 nan 0.000 0.499 265 V N -3.546 116.435 119.914 0.111 0.000 3.217 265 V HA -0.015 4.105 4.120 -0.001 0.000 0.264 265 V C 0.907 177.046 176.094 0.075 0.000 1.135 265 V CA 1.453 63.792 62.300 0.064 0.000 1.142 265 V CB -0.277 31.557 31.823 0.018 0.000 0.754 265 V HN 0.677 nan 8.190 nan 0.000 0.484 266 H N 0.055 119.124 119.070 -0.001 0.000 2.538 266 H HA 0.365 4.920 4.556 -0.001 0.000 0.239 266 H C -2.220 173.134 175.328 0.043 0.000 1.401 266 H CA -1.788 54.261 56.048 0.002 0.000 1.499 266 H CB 1.919 31.669 29.762 -0.020 0.000 1.624 266 H HN 0.119 nan 8.280 nan 0.000 0.524 267 P HA -0.254 nan 4.420 nan 0.000 0.217 267 P C 1.510 178.849 177.300 0.065 0.000 1.158 267 P CA 2.164 65.326 63.100 0.104 0.000 0.887 267 P CB 0.214 31.972 31.700 0.098 0.000 0.792 268 A N -0.853 122.018 122.820 0.086 0.000 1.986 268 A HA -0.191 4.129 4.320 -0.001 0.000 0.220 268 A C 2.127 179.784 177.584 0.121 0.000 1.171 268 A CA 1.511 53.598 52.037 0.084 0.000 0.640 268 A CB -1.662 17.404 19.000 0.110 0.000 0.811 268 A HN 0.173 nan 8.150 nan 0.000 0.451 269 L N -1.521 119.631 121.223 -0.118 0.000 2.465 269 L HA 0.111 4.451 4.340 -0.001 0.000 0.224 269 L C 1.869 178.887 176.870 0.246 0.000 1.145 269 L CA 0.357 55.230 54.840 0.055 0.000 0.834 269 L CB -0.903 41.050 42.059 -0.177 0.000 0.944 269 L HN 0.688 nan 8.230 nan 0.000 0.451 270 G N 0.652 109.504 108.800 0.087 0.000 2.561 270 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.289 270 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.289 270 G C 0.478 175.375 174.900 -0.004 0.000 1.169 270 G CA 0.343 45.433 45.100 -0.017 0.000 0.980 270 G HN 0.246 nan 8.290 nan 0.000 0.550 271 D N 1.351 121.720 120.400 -0.052 0.000 2.309 271 D HA 0.181 4.821 4.640 -0.001 0.000 0.212 271 D C 2.349 178.423 176.300 -0.377 0.000 0.968 271 D CA 1.543 55.410 54.000 -0.222 0.000 0.882 271 D CB -0.411 40.214 40.800 -0.291 0.000 0.918 271 D HN 0.842 nan 8.370 nan 0.000 0.503 272 A N 0.015 122.804 122.820 -0.051 0.000 2.307 272 A HA 0.361 4.681 4.320 -0.001 0.000 0.218 272 A C 1.780 179.449 177.584 0.141 0.000 1.228 272 A CA 0.368 52.480 52.037 0.126 0.000 0.857 272 A CB 0.082 19.218 19.000 0.227 0.000 0.897 272 A HN 0.169 nan 8.150 nan 0.000 0.495 273 G N -0.384 108.479 108.800 0.104 0.000 3.523 273 G HA2 0.307 4.267 3.960 -0.001 0.000 0.270 273 G HA3 0.307 4.267 3.960 -0.001 0.000 0.270 273 G C -0.615 174.385 174.900 0.166 0.000 1.134 273 G CA -0.202 44.970 45.100 0.120 0.000 0.825 273 G HN 0.269 nan 8.290 nan 0.000 0.534 274 D N 0.159 120.698 120.400 0.232 0.000 2.175 274 D HA 0.493 5.133 4.640 -0.001 0.000 0.248 274 D C -0.757 175.647 176.300 0.173 0.000 1.047 274 D CA -0.317 53.818 54.000 0.225 0.000 0.883 274 D CB 2.198 43.211 40.800 0.355 0.000 1.180 274 D HN -0.004 nan 8.370 nan 0.000 0.438 275 F N 1.300 121.184 119.950 -0.110 0.000 2.671 275 F HA 0.638 5.164 4.527 -0.001 0.000 0.373 275 F C -0.821 174.818 175.800 -0.268 0.000 1.122 275 F CA -1.238 56.613 58.000 -0.248 0.000 1.082 275 F CB 1.186 40.076 39.000 -0.183 0.000 1.399 275 F HN 0.087 nan 8.300 nan 0.000 0.509 276 V N 0.531 119.725 119.914 -1.200 0.000 3.040 276 V HA 0.946 5.065 4.120 -0.001 0.000 0.312 276 V C -0.919 174.628 176.094 -0.912 0.000 1.115 276 V CA -0.058 61.721 62.300 -0.870 0.000 0.998 276 V CB 1.776 33.182 31.823 -0.695 0.000 1.042 276 V HN 1.107 nan 8.190 nan 0.000 0.433 277 G N 2.898 111.426 108.800 -0.454 0.000 2.759 277 G HA2 0.429 4.388 3.960 -0.001 0.000 0.297 277 G HA3 0.429 4.388 3.960 -0.001 0.000 0.297 277 G C -1.615 173.187 174.900 -0.163 0.000 1.434 277 G CA -0.817 44.103 45.100 -0.301 0.000 0.980 277 G HN 0.891 nan 8.290 nan 0.000 0.531 278 K N 0.785 121.112 120.400 -0.122 0.000 2.368 278 K HA 0.583 4.903 4.320 -0.001 0.000 0.282 278 K C 0.413 176.997 176.600 -0.027 0.000 1.035 278 K CA -0.145 56.103 56.287 -0.066 0.000 0.973 278 K CB 0.789 33.256 32.500 -0.055 0.000 0.957 278 K HN 0.635 nan 8.250 nan 0.000 0.474 279 A N 2.623 125.444 122.820 0.002 0.000 2.269 279 A HA 0.366 4.686 4.320 -0.001 0.000 0.327 279 A C -0.551 177.055 177.584 0.038 0.000 1.112 279 A CA -0.642 51.417 52.037 0.038 0.000 0.865 279 A CB 1.400 20.447 19.000 0.078 0.000 1.227 279 A HN 0.721 nan 8.150 nan 0.000 0.498 280 S N -0.035 115.695 115.700 0.050 0.000 2.586 280 S HA 0.372 4.842 4.470 -0.001 0.000 0.274 280 S C 0.791 175.427 174.600 0.061 0.000 1.281 280 S CA -0.550 57.674 58.200 0.040 0.000 1.035 280 S CB 0.245 63.460 63.200 0.025 0.000 0.962 280 S HN 0.490 nan 8.310 nan 0.000 0.512 281 M N 2.658 122.288 119.600 0.050 0.000 2.556 281 M HA 0.105 4.585 4.480 -0.001 0.000 0.245 281 M C 0.748 177.086 176.300 0.063 0.000 1.128 281 M CA 0.358 55.692 55.300 0.057 0.000 1.069 281 M CB -1.425 31.203 32.600 0.045 0.000 1.469 281 M HN 0.599 nan 8.290 nan 0.000 0.494 282 D N 1.131 121.564 120.400 0.055 0.000 2.116 282 D HA -0.138 4.501 4.640 -0.001 0.000 0.193 282 D C 2.088 178.435 176.300 0.079 0.000 0.998 282 D CA 1.845 55.879 54.000 0.057 0.000 0.836 282 D CB -0.475 40.342 40.800 0.028 0.000 0.951 282 D HN 0.443 nan 8.370 nan 0.000 0.449 283 G N 0.198 109.038 108.800 0.066 0.000 2.408 283 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.217 283 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.217 283 G C 1.811 176.806 174.900 0.159 0.000 1.150 283 G CA 0.731 45.888 45.100 0.097 0.000 0.776 283 G HN 0.257 nan 8.290 nan 0.000 0.542 284 V N 0.673 120.661 119.914 0.123 0.000 2.358 284 V HA -0.144 3.976 4.120 -0.001 0.000 0.246 284 V C 2.547 178.560 176.094 -0.135 0.000 1.047 284 V CA 2.068 64.353 62.300 -0.024 0.000 1.035 284 V CB -0.317 31.490 31.823 -0.027 0.000 0.658 284 V HN 0.542 nan 8.190 nan 0.000 0.452 285 E N 0.069 120.245 120.200 -0.041 0.000 2.085 285 E HA -0.323 4.026 4.350 -0.001 0.000 0.194 285 E C 2.192 178.702 176.600 -0.151 0.000 0.994 285 E CA 2.003 58.360 56.400 -0.072 0.000 0.801 285 E CB -0.187 29.552 29.700 0.065 0.000 0.743 285 E HN 0.826 nan 8.360 nan 0.000 0.453 286 H N 0.049 119.073 119.070 -0.076 0.000 2.357 286 H HA -0.055 4.501 4.556 -0.001 0.000 0.301 286 H C 2.267 177.565 175.328 -0.049 0.000 1.082 286 H CA 1.724 57.764 56.048 -0.012 0.000 1.342 286 H CB -0.076 29.772 29.762 0.142 0.000 1.389 286 H HN 0.117 nan 8.280 nan 0.000 0.511 287 L N -0.036 121.229 121.223 0.071 0.000 1.989 287 L HA -0.232 4.107 4.340 -0.001 0.000 0.211 287 L C 2.531 179.213 176.870 -0.313 0.000 1.071 287 L CA 1.401 56.178 54.840 -0.105 0.000 0.749 287 L CB -0.467 41.288 42.059 -0.506 0.000 0.890 287 L HN 0.357 nan 8.230 nan 0.000 0.431 288 L N -0.770 120.057 121.223 -0.661 0.000 2.012 288 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 288 L C 2.824 179.296 176.870 -0.664 0.000 1.073 288 L CA 1.426 55.829 54.840 -0.728 0.000 0.748 288 L CB -0.554 40.889 42.059 -1.028 0.000 0.891 288 L HN 0.270 nan 8.230 nan 0.000 0.431 289 R N 0.027 120.049 120.500 -0.798 0.000 2.073 289 R HA -0.122 4.218 4.340 -0.001 0.000 0.229 289 R C 2.010 178.158 176.300 -0.254 0.000 1.120 289 R CA 1.149 56.995 56.100 -0.423 0.000 0.967 289 R CB 0.073 30.224 30.300 -0.247 0.000 0.862 289 R HN 0.253 nan 8.270 nan 0.000 0.436 290 E N -0.297 119.681 120.200 -0.370 0.000 2.427 290 E HA -0.095 4.255 4.350 -0.001 0.000 0.196 290 E C -0.181 176.060 176.600 -0.599 0.000 1.028 290 E CA 0.704 56.811 56.400 -0.488 0.000 0.864 290 E CB 0.268 29.557 29.700 -0.685 0.000 0.813 290 E HN 0.428 nan 8.360 nan 0.000 0.514 291 Y N 0.683 120.996 120.300 0.021 0.000 2.495 291 Y HA 0.209 4.759 4.550 -0.001 0.000 0.362 291 Y C -1.588 174.405 175.900 0.154 0.000 0.956 291 Y CA -2.149 56.027 58.100 0.126 0.000 1.127 291 Y CB 1.102 39.708 38.460 0.244 0.000 1.173 291 Y HN -0.039 nan 8.280 nan 0.000 0.639 292 P HA -0.134 nan 4.420 nan 0.000 0.225 292 P C 0.052 177.442 177.300 0.150 0.000 1.148 292 P CA 1.411 64.604 63.100 0.154 0.000 0.779 292 P CB 0.383 32.143 31.700 0.100 0.000 0.780 293 N N -1.015 117.770 118.700 0.141 0.000 2.336 293 N HA 0.034 4.774 4.740 -0.001 0.000 0.189 293 N C 0.051 175.592 175.510 0.053 0.000 1.113 293 N CA -0.199 52.903 53.050 0.086 0.000 0.858 293 N CB -0.156 38.376 38.487 0.074 0.000 0.970 293 N HN 0.197 nan 8.380 nan 0.000 0.471 294 N N 0.571 119.328 118.700 0.094 0.000 2.417 294 N HA 0.277 5.016 4.740 -0.001 0.000 0.300 294 N C -0.947 174.470 175.510 -0.154 0.000 1.102 294 N CA -0.376 52.614 53.050 -0.101 0.000 0.886 294 N CB 1.384 39.748 38.487 -0.204 0.000 1.203 294 N HN -0.086 nan 8.380 nan 0.000 0.496 295 K N 1.162 121.342 120.400 -0.366 0.000 2.164 295 K HA 0.492 4.812 4.320 -0.001 0.000 0.258 295 K C -1.205 175.232 176.600 -0.270 0.000 0.951 295 K CA -0.444 55.716 56.287 -0.211 0.000 0.844 295 K CB 1.293 33.440 32.500 -0.587 0.000 1.099 295 K HN 0.363 nan 8.250 nan 0.000 0.435 296 F N 2.416 122.583 119.950 0.362 0.000 2.518 296 F HA 0.395 4.921 4.527 -0.001 0.000 0.323 296 F C -0.350 175.552 175.800 0.169 0.000 1.129 296 F CA -0.912 57.214 58.000 0.209 0.000 0.920 296 F CB 1.209 40.260 39.000 0.084 0.000 1.160 296 F HN 0.104 nan 8.300 nan 0.000 0.440 297 L N 4.474 125.810 121.223 0.187 0.000 2.272 297 L HA 0.744 5.084 4.340 -0.001 0.000 0.289 297 L C -0.870 176.071 176.870 0.119 0.000 1.032 297 L CA -0.746 54.138 54.840 0.073 0.000 0.810 297 L CB 1.508 43.445 42.059 -0.202 0.000 1.205 297 L HN 0.366 nan 8.230 nan 0.000 0.422 298 V N 2.006 121.976 119.914 0.093 0.000 2.789 298 V HA 0.641 4.760 4.120 -0.001 0.000 0.311 298 V C -0.332 175.440 176.094 -0.537 0.000 1.073 298 V CA -0.494 61.711 62.300 -0.158 0.000 0.921 298 V CB 2.333 34.074 31.823 -0.138 0.000 1.009 298 V HN 0.738 nan 8.190 nan 0.000 0.426 299 T N 5.038 119.174 114.554 -0.696 0.000 2.956 299 T HA 0.729 5.079 4.350 -0.001 0.000 0.312 299 T C -1.090 173.438 174.700 -0.287 0.000 1.151 299 T CA -0.391 61.262 62.100 -0.745 0.000 1.024 299 T CB 1.298 69.346 68.868 -1.365 0.000 1.140 299 T HN 0.558 nan 8.240 nan 0.000 0.473 300 M N 4.061 123.631 119.600 -0.050 0.000 2.602 300 M HA 0.476 4.955 4.480 -0.001 0.000 0.312 300 M C 0.099 176.564 176.300 0.276 0.000 1.181 300 M CA -0.873 54.500 55.300 0.122 0.000 0.910 300 M CB 2.228 34.844 32.600 0.025 0.000 1.723 300 M HN 0.498 nan 8.290 nan 0.000 0.459 301 L N 0.601 121.983 121.223 0.266 0.000 2.307 301 L HA 0.220 4.560 4.340 -0.001 0.000 0.211 301 L C 0.917 177.775 176.870 -0.020 0.000 1.099 301 L CA 1.181 56.062 54.840 0.069 0.000 0.816 301 L CB 0.263 42.218 42.059 -0.173 0.000 0.952 301 L HN 0.692 nan 8.230 nan 0.000 0.455 302 S N -0.570 115.112 115.700 -0.030 0.000 2.523 302 S HA 0.114 4.584 4.470 -0.001 0.000 0.275 302 S C 1.440 176.019 174.600 -0.035 0.000 1.281 302 S CA -0.455 57.702 58.200 -0.071 0.000 1.050 302 S CB 0.708 63.857 63.200 -0.086 0.000 0.937 302 S HN 0.371 nan 8.310 nan 0.000 0.492 303 R N 2.653 123.127 120.500 -0.044 0.000 2.127 303 R HA -0.113 4.227 4.340 -0.001 0.000 0.238 303 R C 0.829 177.118 176.300 -0.018 0.000 1.134 303 R CA 1.847 57.934 56.100 -0.022 0.000 0.975 303 R CB -0.145 30.137 30.300 -0.030 0.000 0.865 303 R HN 0.649 nan 8.270 nan 0.000 0.447 304 E N -0.302 119.879 120.200 -0.032 0.000 2.478 304 E HA -0.047 4.303 4.350 -0.001 0.000 0.198 304 E C 0.842 177.440 176.600 -0.004 0.000 1.046 304 E CA 0.770 57.157 56.400 -0.022 0.000 0.870 304 E CB -0.006 29.672 29.700 -0.037 0.000 0.818 304 E HN 0.492 nan 8.360 nan 0.000 0.527 305 N N -0.555 118.142 118.700 -0.004 0.000 2.388 305 N HA -0.047 4.693 4.740 -0.001 0.000 0.176 305 N C 1.279 176.791 175.510 0.003 0.000 1.062 305 N CA -0.089 52.964 53.050 0.004 0.000 0.895 305 N CB 0.323 38.810 38.487 0.000 0.000 1.018 305 N HN -0.023 nan 8.380 nan 0.000 0.456 306 Q N 0.579 120.381 119.800 0.003 0.000 2.077 306 Q HA -0.240 4.099 4.340 -0.001 0.000 0.206 306 Q C 1.824 177.809 176.000 -0.025 0.000 0.989 306 Q CA 1.490 57.284 55.803 -0.016 0.000 0.853 306 Q CB -0.868 27.865 28.738 -0.009 0.000 0.907 306 Q HN 0.585 nan 8.270 nan 0.000 0.418 307 H N 1.487 120.523 119.070 -0.057 0.000 2.326 307 H HA -0.104 4.452 4.556 -0.001 0.000 0.301 307 H C 1.774 177.068 175.328 -0.056 0.000 1.081 307 H CA 1.835 57.846 56.048 -0.062 0.000 1.334 307 H CB 0.311 30.041 29.762 -0.052 0.000 1.385 307 H HN 0.523 nan 8.280 nan 0.000 0.504 308 E N 0.485 120.720 120.200 0.060 0.000 2.268 308 E HA -0.131 4.219 4.350 -0.001 0.000 0.195 308 E C 2.376 178.939 176.600 -0.061 0.000 0.995 308 E CA 0.754 57.164 56.400 0.016 0.000 0.836 308 E CB -0.379 29.361 29.700 0.068 0.000 0.763 308 E HN 0.324 nan 8.360 nan 0.000 0.491 309 L N 1.447 122.627 121.223 -0.072 0.000 2.056 309 L HA -0.106 4.234 4.340 -0.001 0.000 0.207 309 L C 2.263 179.060 176.870 -0.122 0.000 1.078 309 L CA 1.220 56.013 54.840 -0.078 0.000 0.749 309 L CB -0.258 41.752 42.059 -0.082 0.000 0.901 309 L HN 0.006 nan 8.230 nan 0.000 0.433 310 V N -1.100 118.696 119.914 -0.196 0.000 2.343 310 V HA -0.255 3.865 4.120 -0.001 0.000 0.247 310 V C 2.518 178.480 176.094 -0.220 0.000 1.051 310 V CA 1.638 63.791 62.300 -0.244 0.000 1.036 310 V CB -0.569 31.051 31.823 -0.338 0.000 0.654 310 V HN 0.342 nan 8.190 nan 0.000 0.451 311 V N -0.300 119.462 119.914 -0.254 0.000 2.490 311 V HA -0.225 3.895 4.120 -0.001 0.000 0.250 311 V C 2.349 178.386 176.094 -0.095 0.000 1.061 311 V CA 1.837 64.031 62.300 -0.177 0.000 1.064 311 V CB -0.563 31.173 31.823 -0.144 0.000 0.670 311 V HN 0.489 nan 8.190 nan 0.000 0.461 312 L N 0.827 122.020 121.223 -0.051 0.000 2.141 312 L HA -0.018 4.322 4.340 -0.001 0.000 0.209 312 L C 2.425 179.330 176.870 0.058 0.000 1.094 312 L CA 2.133 56.998 54.840 0.040 0.000 0.763 312 L CB -0.851 41.252 42.059 0.073 0.000 0.908 312 L HN 0.227 nan 8.230 nan 0.000 0.437 313 A N -0.663 122.154 122.820 -0.006 0.000 1.969 313 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 313 A C 2.395 179.964 177.584 -0.025 0.000 1.169 313 A CA 1.440 53.479 52.037 0.003 0.000 0.635 313 A CB -0.486 18.487 19.000 -0.046 0.000 0.810 313 A HN 0.472 nan 8.150 nan 0.000 0.445 314 R N -0.420 120.035 120.500 -0.075 0.000 2.115 314 R HA -0.078 4.261 4.340 -0.001 0.000 0.230 314 R C 1.783 177.995 176.300 -0.146 0.000 1.111 314 R CA 1.270 57.312 56.100 -0.097 0.000 0.976 314 R CB -0.110 30.124 30.300 -0.109 0.000 0.870 314 R HN 0.307 nan 8.270 nan 0.000 0.445 315 K N -0.094 120.175 120.400 -0.218 0.000 2.116 315 K HA 0.012 4.332 4.320 -0.001 0.000 0.203 315 K C 0.206 176.346 176.600 -0.767 0.000 1.052 315 K CA 0.957 56.929 56.287 -0.526 0.000 0.952 315 K CB 0.162 32.244 32.500 -0.697 0.000 0.729 315 K HN 0.024 nan 8.250 nan 0.000 0.446 316 F N 0.680 120.631 119.950 0.002 0.000 2.499 316 F HA 0.142 4.668 4.527 -0.001 0.000 0.333 316 F C 1.217 177.051 175.800 0.057 0.000 1.138 316 F CA -0.857 57.161 58.000 0.030 0.000 0.945 316 F CB 1.732 40.749 39.000 0.028 0.000 1.181 316 F HN -0.130 nan 8.300 nan 0.000 0.435 317 S N 0.311 116.146 115.700 0.225 0.000 2.515 317 S HA -0.162 4.307 4.470 -0.001 0.000 0.231 317 S C 1.228 175.997 174.600 0.282 0.000 0.987 317 S CA 0.933 59.249 58.200 0.194 0.000 0.936 317 S CB -0.455 62.833 63.200 0.147 0.000 0.766 317 S HN 0.712 nan 8.310 nan 0.000 0.528 318 N N 1.149 120.053 118.700 0.339 0.000 2.383 318 N HA 0.110 4.849 4.740 -0.001 0.000 0.192 318 N C -0.034 175.783 175.510 0.512 0.000 1.141 318 N CA -0.206 53.098 53.050 0.424 0.000 0.851 318 N CB -0.308 38.399 38.487 0.366 0.000 0.976 318 N HN 0.469 nan 8.380 nan 0.000 0.465 319 L N 0.816 122.239 121.223 0.334 0.000 2.296 319 L HA 0.592 4.932 4.340 -0.001 0.000 0.286 319 L C -0.857 175.999 176.870 -0.023 0.000 1.023 319 L CA -0.676 54.285 54.840 0.201 0.000 0.812 319 L CB 1.506 43.651 42.059 0.144 0.000 1.223 319 L HN 0.053 nan 8.230 nan 0.000 0.421 320 M N 7.477 126.925 119.600 -0.253 0.000 2.093 320 M HA 0.493 4.972 4.480 -0.001 0.000 0.297 320 M C -1.019 175.180 176.300 -0.168 0.000 0.938 320 M CA -0.734 54.284 55.300 -0.469 0.000 0.920 320 M CB 0.960 32.726 32.600 -1.391 0.000 1.517 320 M HN 0.544 nan 8.290 nan 0.000 0.427 321 I N 2.457 122.993 120.570 -0.057 0.000 2.612 321 I HA 0.795 4.965 4.170 -0.001 0.000 0.295 321 I C -1.211 174.970 176.117 0.106 0.000 1.011 321 I CA -0.612 60.673 61.300 -0.025 0.000 1.326 321 I CB 0.879 38.832 38.000 -0.077 0.000 1.427 321 I HN 0.774 nan 8.210 nan 0.000 0.537 322 F N 2.351 122.273 119.950 -0.047 0.000 2.631 322 F HA 0.861 5.388 4.527 -0.001 0.000 0.308 322 F C 0.021 175.873 175.800 0.087 0.000 1.097 322 F CA -0.325 57.678 58.000 0.006 0.000 0.952 322 F CB 0.645 39.594 39.000 -0.085 0.000 1.307 322 F HN 1.064 nan 8.300 nan 0.000 0.450 323 G N 0.425 109.408 108.800 0.305 0.000 2.960 323 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.267 323 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.267 323 G C -1.042 173.929 174.900 0.118 0.000 1.492 323 G CA -0.447 44.834 45.100 0.302 0.000 0.953 323 G HN 1.399 nan 8.290 nan 0.000 0.555 324 C N 0.297 119.648 119.300 0.084 0.000 2.492 324 C HA 0.409 4.869 4.460 -0.001 0.000 0.284 324 C C 0.200 175.290 174.990 0.166 0.000 1.082 324 C CA -0.749 58.327 59.018 0.096 0.000 1.555 324 C CB -0.672 27.099 27.740 0.051 0.000 1.798 324 C HN 0.646 nan 8.230 nan 0.000 0.413 325 W N 4.385 125.728 121.300 0.071 0.000 2.304 325 W HA 0.399 5.058 4.660 -0.001 0.000 0.313 325 W C 0.741 177.413 176.519 0.254 0.000 1.323 325 W CA 0.244 57.707 57.345 0.196 0.000 1.223 325 W CB 0.116 29.725 29.460 0.249 0.000 1.237 325 W HN 0.839 nan 8.180 nan 0.000 0.535 326 W N 4.005 125.254 121.300 -0.086 0.000 2.282 326 W HA -0.456 4.204 4.660 -0.001 0.000 0.302 326 W C 1.402 177.679 176.519 -0.404 0.000 1.839 326 W CA 2.239 59.302 57.345 -0.470 0.000 1.996 326 W CB -2.171 26.510 29.460 -1.298 0.000 0.932 326 W HN 0.379 nan 8.180 nan 0.000 0.454 327 F N 0.755 120.691 119.950 -0.024 0.000 2.604 327 F HA -0.081 4.446 4.527 -0.001 0.000 0.298 327 F C 2.390 178.167 175.800 -0.037 0.000 1.131 327 F CA 1.598 59.516 58.000 -0.137 0.000 1.457 327 F CB -0.835 37.950 39.000 -0.359 0.000 1.095 327 F HN -0.156 nan 8.300 nan 0.000 0.574 328 M N -1.041 118.635 119.600 0.126 0.000 2.514 328 M HA 0.030 4.510 4.480 -0.001 0.000 0.258 328 M C 0.818 177.189 176.300 0.119 0.000 1.119 328 M CA 0.593 55.961 55.300 0.114 0.000 1.111 328 M CB -0.916 31.756 32.600 0.120 0.000 1.390 328 M HN -0.033 nan 8.290 nan 0.000 0.475 329 N N 2.832 121.620 118.700 0.148 0.000 3.115 329 N HA 0.040 4.779 4.740 -0.001 0.000 0.305 329 N C -1.151 174.462 175.510 0.172 0.000 1.305 329 N CA 0.174 53.307 53.050 0.138 0.000 1.154 329 N CB -0.254 38.322 38.487 0.148 0.000 1.454 329 N HN 0.189 nan 8.380 nan 0.000 0.551 330 N N 0.018 118.803 118.700 0.141 0.000 2.249 330 N HA 0.241 4.981 4.740 -0.001 0.000 0.296 330 N C -1.987 173.584 175.510 0.101 0.000 1.051 330 N CA -1.336 51.797 53.050 0.138 0.000 0.815 330 N CB 2.251 40.812 38.487 0.124 0.000 1.487 330 N HN -0.030 nan 8.380 nan 0.000 0.475 331 P HA -0.266 nan 4.420 nan 0.000 0.218 331 P C 1.216 178.548 177.300 0.054 0.000 1.165 331 P CA 1.740 64.882 63.100 0.071 0.000 0.922 331 P CB 0.475 32.207 31.700 0.053 0.000 0.794 332 E N -0.868 119.359 120.200 0.045 0.000 2.097 332 E HA -0.188 4.162 4.350 -0.001 0.000 0.196 332 E C 1.818 178.437 176.600 0.033 0.000 1.000 332 E CA 1.470 57.890 56.400 0.033 0.000 0.804 332 E CB -0.852 28.863 29.700 0.025 0.000 0.740 332 E HN 0.068 nan 8.360 nan 0.000 0.454 333 I N 0.322 120.917 120.570 0.041 0.000 2.333 333 I HA -0.114 4.055 4.170 -0.001 0.000 0.246 333 I C 2.398 178.540 176.117 0.042 0.000 1.106 333 I CA 0.768 62.092 61.300 0.039 0.000 1.411 333 I CB -0.973 37.055 38.000 0.048 0.000 1.082 333 I HN 0.197 nan 8.210 nan 0.000 0.420 334 I N 1.277 121.880 120.570 0.054 0.000 2.208 334 I HA -0.358 3.812 4.170 -0.001 0.000 0.245 334 I C 2.371 178.519 176.117 0.051 0.000 1.097 334 I CA 1.694 63.028 61.300 0.056 0.000 1.363 334 I CB -0.496 37.543 38.000 0.065 0.000 1.051 334 I HN 0.306 nan 8.210 nan 0.000 0.413 335 N N 1.187 119.916 118.700 0.047 0.000 2.058 335 N HA -0.268 4.472 4.740 -0.001 0.000 0.191 335 N C 1.844 177.370 175.510 0.027 0.000 1.037 335 N CA 2.033 55.107 53.050 0.041 0.000 0.848 335 N CB -0.163 38.345 38.487 0.036 0.000 1.021 335 N HN 0.522 nan 8.380 nan 0.000 0.422 336 E N -0.188 120.023 120.200 0.019 0.000 2.110 336 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 336 E C 2.022 178.619 176.600 -0.005 0.000 0.988 336 E CA 1.120 57.524 56.400 0.008 0.000 0.804 336 E CB -0.390 29.315 29.700 0.007 0.000 0.745 336 E HN 0.429 nan 8.360 nan 0.000 0.458 337 M N 0.946 120.544 119.600 -0.004 0.000 2.099 337 M HA -0.096 4.383 4.480 -0.001 0.000 0.262 337 M C 2.315 178.576 176.300 -0.066 0.000 1.067 337 M CA 2.054 57.335 55.300 -0.032 0.000 1.124 337 M CB -0.271 32.323 32.600 -0.010 0.000 1.353 337 M HN 0.150 nan 8.290 nan 0.000 0.410 338 T N -0.019 114.534 114.554 -0.002 0.000 2.788 338 T HA -0.097 4.252 4.350 -0.001 0.000 0.268 338 T C 1.843 176.537 174.700 -0.010 0.000 1.044 338 T CA 1.146 63.273 62.100 0.044 0.000 1.139 338 T CB -0.213 68.727 68.868 0.120 0.000 0.867 338 T HN 0.355 nan 8.240 nan 0.000 0.454 339 R N 0.414 120.905 120.500 -0.015 0.000 2.073 339 R HA 0.139 4.478 4.340 -0.001 0.000 0.229 339 R C 2.607 178.863 176.300 -0.073 0.000 1.120 339 R CA 1.177 57.261 56.100 -0.026 0.000 0.967 339 R CB -0.268 30.028 30.300 -0.008 0.000 0.862 339 R HN 0.381 nan 8.270 nan 0.000 0.436 340 M N -0.206 119.341 119.600 -0.088 0.000 2.159 340 M HA -0.147 4.333 4.480 -0.001 0.000 0.263 340 M C 2.204 178.370 176.300 -0.225 0.000 1.063 340 M CA 1.667 56.903 55.300 -0.107 0.000 1.110 340 M CB -0.227 32.334 32.600 -0.065 0.000 1.374 340 M HN 0.086 nan 8.290 nan 0.000 0.411 341 R N -0.018 120.267 120.500 -0.357 0.000 2.073 341 R HA -0.113 4.226 4.340 -0.001 0.000 0.234 341 R C 2.250 178.178 176.300 -0.620 0.000 1.134 341 R CA 1.667 57.354 56.100 -0.689 0.000 0.952 341 R CB -0.392 29.151 30.300 -1.263 0.000 0.850 341 R HN 0.353 nan 8.270 nan 0.000 0.433 342 M N 0.953 120.338 119.600 -0.359 0.000 2.117 342 M HA -0.173 4.306 4.480 -0.001 0.000 0.262 342 M C 1.641 177.896 176.300 -0.075 0.000 1.065 342 M CA 1.738 57.013 55.300 -0.042 0.000 1.114 342 M CB 0.104 32.755 32.600 0.085 0.000 1.361 342 M HN 0.078 nan 8.290 nan 0.000 0.408 343 E N -0.243 119.899 120.200 -0.098 0.000 2.118 343 E HA -0.214 4.136 4.350 -0.001 0.000 0.195 343 E C 1.741 178.289 176.600 -0.086 0.000 0.992 343 E CA 1.641 57.994 56.400 -0.078 0.000 0.804 343 E CB -0.059 29.604 29.700 -0.062 0.000 0.741 343 E HN 0.594 nan 8.360 nan 0.000 0.458 344 M N -0.672 118.853 119.600 -0.125 0.000 2.414 344 M HA 0.123 4.603 4.480 -0.001 0.000 0.251 344 M C 1.109 177.341 176.300 -0.114 0.000 1.116 344 M CA 0.369 55.596 55.300 -0.122 0.000 1.056 344 M CB 0.819 33.323 32.600 -0.160 0.000 1.388 344 M HN 0.049 nan 8.290 nan 0.000 0.487 345 L N -1.463 119.689 121.223 -0.117 0.000 2.966 345 L HA 0.406 4.746 4.340 -0.001 0.000 0.262 345 L C 1.287 178.183 176.870 0.043 0.000 1.165 345 L CA -0.019 54.791 54.840 -0.050 0.000 0.978 345 L CB 0.238 42.247 42.059 -0.083 0.000 1.337 345 L HN 0.436 nan 8.230 nan 0.000 0.563 346 G N 1.947 110.766 108.800 0.031 0.000 2.565 346 G HA2 -0.430 3.530 3.960 -0.001 0.000 0.295 346 G HA3 -0.430 3.530 3.960 -0.001 0.000 0.295 346 G C 0.752 175.755 174.900 0.172 0.000 1.165 346 G CA 0.809 45.941 45.100 0.052 0.000 0.977 346 G HN 0.316 nan 8.290 nan 0.000 0.546 347 T N -2.001 112.618 114.554 0.109 0.000 3.134 347 T HA 0.495 4.844 4.350 -0.001 0.000 0.260 347 T C 1.342 176.065 174.700 0.038 0.000 1.027 347 T CA 1.160 63.286 62.100 0.044 0.000 0.913 347 T CB 0.106 68.960 68.868 -0.023 0.000 1.046 347 T HN 1.658 nan 8.240 nan 0.000 0.553 348 S N 1.787 117.584 115.700 0.161 0.000 3.811 348 S HA 0.536 5.006 4.470 -0.001 0.000 0.205 348 S C -0.134 174.597 174.600 0.217 0.000 1.445 348 S CA -1.094 57.180 58.200 0.124 0.000 1.097 348 S CB -1.602 61.651 63.200 0.088 0.000 1.350 348 S HN 0.686 nan 8.310 nan 0.000 0.471 349 F N -2.121 117.793 119.950 -0.061 0.000 2.817 349 F HA 0.680 5.206 4.527 -0.001 0.000 0.317 349 F C -1.698 174.067 175.800 -0.059 0.000 1.168 349 F CA -1.754 56.203 58.000 -0.072 0.000 0.911 349 F CB 0.827 39.783 39.000 -0.073 0.000 1.337 349 F HN -0.038 nan 8.300 nan 0.000 0.464 350 I N 3.007 123.584 120.570 0.011 0.000 2.405 350 I HA 0.283 4.453 4.170 -0.001 0.000 0.280 350 I C -1.661 174.488 176.117 0.055 0.000 1.027 350 I CA -1.961 59.290 61.300 -0.081 0.000 1.161 350 I CB 1.798 39.836 38.000 0.064 0.000 1.300 350 I HN 0.456 nan 8.210 nan 0.000 0.463 351 P HA -0.164 nan 4.420 nan 0.000 0.218 351 P C 0.314 177.679 177.300 0.109 0.000 1.148 351 P CA 1.410 64.557 63.100 0.079 0.000 0.822 351 P CB 0.548 32.157 31.700 -0.151 0.000 0.784 352 Q N -1.337 118.529 119.800 0.110 0.000 2.575 352 Q HA 0.352 4.692 4.340 -0.001 0.000 0.290 352 Q C -1.309 174.848 176.000 0.261 0.000 0.963 352 Q CA -0.783 55.086 55.803 0.111 0.000 0.783 352 Q CB 1.200 29.911 28.738 -0.046 0.000 1.467 352 Q HN 0.273 nan 8.270 nan 0.000 0.402 353 H N -1.063 118.012 119.070 0.008 0.000 3.016 353 H HA 0.482 5.038 4.556 -0.001 0.000 0.362 353 H C -0.540 174.639 175.328 -0.248 0.000 1.233 353 H CA -0.134 55.946 56.048 0.053 0.000 1.124 353 H CB 1.439 31.297 29.762 0.160 0.000 1.850 353 H HN 0.694 nan 8.280 nan 0.000 0.549 354 S N 0.002 115.576 115.700 -0.210 0.000 2.421 354 S HA -0.096 4.374 4.470 -0.001 0.000 0.224 354 S C 0.592 175.063 174.600 -0.215 0.000 1.035 354 S CA 0.956 58.892 58.200 -0.440 0.000 0.953 354 S CB -0.255 62.741 63.200 -0.341 0.000 0.810 354 S HN 0.792 nan 8.310 nan 0.000 0.497 355 D N 1.154 121.571 120.400 0.028 0.000 2.981 355 D HA -0.139 4.501 4.640 -0.001 0.000 0.223 355 D C 0.126 176.417 176.300 -0.016 0.000 1.151 355 D CA 0.872 54.907 54.000 0.058 0.000 0.827 355 D CB -1.637 39.335 40.800 0.287 0.000 1.101 355 D HN 0.795 nan 8.370 nan 0.000 0.426 356 A N 0.181 122.930 122.820 -0.118 0.000 2.546 356 A HA 0.229 4.549 4.320 -0.001 0.000 0.243 356 A C 1.433 178.999 177.584 -0.029 0.000 1.063 356 A CA 0.661 52.611 52.037 -0.146 0.000 0.757 356 A CB 0.386 19.307 19.000 -0.131 0.000 0.991 356 A HN 0.358 nan 8.150 nan 0.000 0.503 357 R N 1.148 121.620 120.500 -0.047 0.000 2.316 357 R HA 0.217 4.557 4.340 -0.001 0.000 0.201 357 R C -0.700 175.638 176.300 0.063 0.000 0.888 357 R CA 0.340 56.493 56.100 0.088 0.000 1.041 357 R CB 0.683 31.095 30.300 0.185 0.000 1.115 357 R HN 0.527 nan 8.270 nan 0.000 0.559 358 V N 1.728 121.613 119.914 -0.048 0.000 2.531 358 V HA 0.045 4.164 4.120 -0.001 0.000 0.301 358 V C 0.840 176.951 176.094 0.028 0.000 1.034 358 V CA -0.452 61.857 62.300 0.016 0.000 0.865 358 V CB 1.870 33.670 31.823 -0.039 0.000 0.995 358 V HN 0.066 nan 8.190 nan 0.000 0.424 359 L N 4.575 125.877 121.223 0.132 0.000 2.011 359 L HA -0.232 4.107 4.340 -0.001 0.000 0.225 359 L C 2.241 179.173 176.870 0.103 0.000 1.084 359 L CA 2.405 57.327 54.840 0.137 0.000 0.791 359 L CB -0.414 41.763 42.059 0.197 0.000 0.898 359 L HN 0.816 nan 8.230 nan 0.000 0.440 360 E N -0.514 119.771 120.200 0.142 0.000 2.273 360 E HA -0.251 4.099 4.350 -0.001 0.000 0.198 360 E C 2.150 178.790 176.600 0.066 0.000 1.002 360 E CA 1.299 57.781 56.400 0.136 0.000 0.828 360 E CB -0.306 29.508 29.700 0.190 0.000 0.747 360 E HN 0.675 nan 8.360 nan 0.000 0.491 361 Q N -0.089 119.699 119.800 -0.019 0.000 2.234 361 Q HA -0.135 4.204 4.340 -0.001 0.000 0.206 361 Q C 2.012 177.849 176.000 -0.271 0.000 0.980 361 Q CA 0.804 56.499 55.803 -0.180 0.000 0.869 361 Q CB -0.226 28.287 28.738 -0.375 0.000 0.912 361 Q HN 0.374 nan 8.270 nan 0.000 0.436 362 L N 0.275 121.446 121.223 -0.087 0.000 2.189 362 L HA -0.229 4.111 4.340 -0.001 0.000 0.214 362 L C 2.162 179.100 176.870 0.113 0.000 1.097 362 L CA 0.962 55.836 54.840 0.057 0.000 0.764 362 L CB -0.467 41.673 42.059 0.134 0.000 0.900 362 L HN 0.299 nan 8.230 nan 0.000 0.436 363 I N -0.972 119.631 120.570 0.055 0.000 2.163 363 I HA -0.315 3.854 4.170 -0.001 0.000 0.240 363 I C 2.633 178.801 176.117 0.085 0.000 1.081 363 I CA 1.531 62.887 61.300 0.094 0.000 1.353 363 I CB -0.458 37.590 38.000 0.080 0.000 1.054 363 I HN 0.258 nan 8.210 nan 0.000 0.407 364 Y N 1.507 121.733 120.300 -0.125 0.000 2.286 364 Y HA -0.012 4.537 4.550 -0.001 0.000 0.293 364 Y C 2.263 177.873 175.900 -0.484 0.000 1.124 364 Y CA 0.749 58.619 58.100 -0.383 0.000 1.178 364 Y CB -0.662 37.506 38.460 -0.487 0.000 1.010 364 Y HN -0.140 nan 8.280 nan 0.000 0.536 365 K N 0.383 120.248 120.400 -0.892 0.000 2.032 365 K HA -0.214 4.106 4.320 -0.001 0.000 0.209 365 K C 1.781 178.078 176.600 -0.504 0.000 1.048 365 K CA 2.142 57.931 56.287 -0.830 0.000 0.927 365 K CB -1.056 30.860 32.500 -0.974 0.000 0.712 365 K HN 0.568 nan 8.250 nan 0.000 0.441 366 W N 0.228 121.473 121.300 -0.092 0.000 2.518 366 W HA -0.059 4.600 4.660 -0.001 0.000 0.273 366 W C 2.384 178.957 176.519 0.090 0.000 1.247 366 W CA 0.516 57.872 57.345 0.019 0.000 1.288 366 W CB -0.240 29.216 29.460 -0.007 0.000 1.107 366 W HN 0.336 nan 8.180 nan 0.000 0.586 367 H N -0.664 118.535 119.070 0.215 0.000 2.363 367 H HA -0.108 4.448 4.556 -0.001 0.000 0.301 367 H C 1.730 177.244 175.328 0.310 0.000 1.074 367 H CA 2.015 58.205 56.048 0.235 0.000 1.354 367 H CB -0.404 29.494 29.762 0.226 0.000 1.397 367 H HN 0.289 nan 8.280 nan 0.000 0.516 368 H N -0.604 118.627 119.070 0.268 0.000 2.389 368 H HA -0.052 4.504 4.556 -0.001 0.000 0.299 368 H C 2.412 177.798 175.328 0.095 0.000 1.081 368 H CA 0.929 57.093 56.048 0.192 0.000 1.345 368 H CB 0.500 30.407 29.762 0.242 0.000 1.393 368 H HN 0.264 nan 8.280 nan 0.000 0.520 369 S N 0.385 116.209 115.700 0.207 0.000 2.377 369 S HA -0.062 4.407 4.470 -0.001 0.000 0.223 369 S C 1.924 176.662 174.600 0.231 0.000 1.030 369 S CA 0.665 58.957 58.200 0.153 0.000 0.970 369 S CB 0.087 63.303 63.200 0.026 0.000 0.830 369 S HN 0.327 nan 8.310 nan 0.000 0.473 370 K N 1.505 122.071 120.400 0.277 0.000 2.103 370 K HA -0.097 4.222 4.320 -0.001 0.000 0.207 370 K C 2.514 179.197 176.600 0.138 0.000 1.048 370 K CA 1.561 58.006 56.287 0.263 0.000 0.930 370 K CB -0.266 32.304 32.500 0.117 0.000 0.716 370 K HN 0.472 nan 8.250 nan 0.000 0.444 371 S N 0.932 116.655 115.700 0.039 0.000 2.382 371 S HA -0.117 4.352 4.470 -0.001 0.000 0.228 371 S C 1.993 176.630 174.600 0.062 0.000 1.027 371 S CA 0.900 59.103 58.200 0.005 0.000 0.991 371 S CB -0.443 62.716 63.200 -0.068 0.000 0.823 371 S HN 0.201 nan 8.310 nan 0.000 0.469 372 I N 1.181 121.805 120.570 0.089 0.000 2.233 372 I HA -0.048 4.122 4.170 -0.001 0.000 0.243 372 I C 2.393 178.576 176.117 0.110 0.000 1.093 372 I CA 1.116 62.469 61.300 0.089 0.000 1.380 372 I CB -0.369 37.685 38.000 0.090 0.000 1.067 372 I HN 0.257 nan 8.210 nan 0.000 0.413 373 I N 1.015 121.678 120.570 0.155 0.000 2.286 373 I HA -0.290 3.879 4.170 -0.001 0.000 0.248 373 I C 2.786 179.005 176.117 0.169 0.000 1.115 373 I CA 1.319 62.723 61.300 0.172 0.000 1.392 373 I CB -0.440 37.714 38.000 0.256 0.000 1.065 373 I HN 0.185 nan 8.210 nan 0.000 0.418 374 A N 0.339 123.263 122.820 0.174 0.000 1.902 374 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 374 A C 2.227 179.882 177.584 0.118 0.000 1.181 374 A CA 1.982 54.109 52.037 0.150 0.000 0.623 374 A CB -0.506 18.561 19.000 0.112 0.000 0.818 374 A HN 0.384 nan 8.150 nan 0.000 0.443 375 E N -0.035 120.221 120.200 0.093 0.000 2.077 375 E HA -0.109 4.241 4.350 -0.001 0.000 0.193 375 E C 1.832 178.474 176.600 0.070 0.000 0.989 375 E CA 1.471 57.916 56.400 0.075 0.000 0.800 375 E CB -0.400 29.336 29.700 0.060 0.000 0.746 375 E HN 0.258 nan 8.360 nan 0.000 0.452 376 V N 0.628 120.583 119.914 0.068 0.000 2.295 376 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 376 V C 2.489 178.596 176.094 0.021 0.000 1.049 376 V CA 1.745 64.072 62.300 0.046 0.000 1.024 376 V CB -0.520 31.337 31.823 0.056 0.000 0.648 376 V HN 0.300 nan 8.190 nan 0.000 0.447 377 L N -0.725 120.519 121.223 0.034 0.000 2.046 377 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 377 L C 2.362 179.276 176.870 0.073 0.000 1.077 377 L CA 1.682 56.505 54.840 -0.029 0.000 0.747 377 L CB -0.474 41.644 42.059 0.100 0.000 0.896 377 L HN 0.278 nan 8.230 nan 0.000 0.432 378 I N -0.355 120.306 120.570 0.151 0.000 2.163 378 I HA -0.323 3.846 4.170 -0.001 0.000 0.243 378 I C 2.153 178.348 176.117 0.128 0.000 1.085 378 I CA 1.295 62.702 61.300 0.177 0.000 1.347 378 I CB -0.427 37.649 38.000 0.126 0.000 1.044 378 I HN 0.278 nan 8.210 nan 0.000 0.408 379 D N 0.924 121.368 120.400 0.073 0.000 2.104 379 D HA -0.174 4.466 4.640 -0.001 0.000 0.194 379 D C 2.184 178.504 176.300 0.034 0.000 0.994 379 D CA 1.345 55.375 54.000 0.050 0.000 0.830 379 D CB -0.147 40.671 40.800 0.029 0.000 0.959 379 D HN 0.114 nan 8.370 nan 0.000 0.452 380 K N -0.232 120.156 120.400 -0.020 0.000 2.097 380 K HA -0.090 4.229 4.320 -0.001 0.000 0.205 380 K C 2.041 178.616 176.600 -0.042 0.000 1.050 380 K CA 0.700 56.939 56.287 -0.081 0.000 0.938 380 K CB -0.521 31.867 32.500 -0.186 0.000 0.718 380 K HN 0.232 nan 8.250 nan 0.000 0.442 381 Y N 0.607 120.938 120.300 0.051 0.000 2.263 381 Y HA -0.127 4.422 4.550 -0.001 0.000 0.292 381 Y C 2.039 177.982 175.900 0.072 0.000 1.130 381 Y CA 1.138 59.278 58.100 0.067 0.000 1.179 381 Y CB -0.593 37.914 38.460 0.079 0.000 0.998 381 Y HN 0.158 nan 8.280 nan 0.000 0.532 382 D N -0.251 120.281 120.400 0.221 0.000 2.144 382 D HA -0.161 4.478 4.640 -0.001 0.000 0.199 382 D C 1.539 177.908 176.300 0.114 0.000 0.984 382 D CA 1.429 55.517 54.000 0.147 0.000 0.834 382 D CB -0.064 40.801 40.800 0.108 0.000 0.955 382 D HN 0.138 nan 8.370 nan 0.000 0.465 383 D N -0.242 120.211 120.400 0.088 0.000 2.149 383 D HA -0.125 4.515 4.640 -0.001 0.000 0.198 383 D C 2.141 178.485 176.300 0.073 0.000 0.990 383 D CA 1.055 55.091 54.000 0.060 0.000 0.839 383 D CB -0.287 40.529 40.800 0.027 0.000 0.948 383 D HN 0.569 nan 8.370 nan 0.000 0.460 384 I N -1.712 118.915 120.570 0.095 0.000 2.876 384 I HA -0.001 4.169 4.170 -0.001 0.000 0.264 384 I C 2.127 178.375 176.117 0.218 0.000 1.204 384 I CA 0.315 61.683 61.300 0.113 0.000 1.485 384 I CB -0.191 37.822 38.000 0.023 0.000 1.103 384 I HN -0.105 nan 8.210 nan 0.000 0.446 385 L N 1.463 122.814 121.223 0.212 0.000 2.056 385 L HA -0.128 4.211 4.340 -0.001 0.000 0.207 385 L C 2.516 179.469 176.870 0.138 0.000 1.078 385 L CA 1.857 56.813 54.840 0.193 0.000 0.749 385 L CB -0.821 41.329 42.059 0.151 0.000 0.901 385 L HN 0.175 nan 8.230 nan 0.000 0.433 386 Q N 0.077 119.943 119.800 0.110 0.000 2.291 386 Q HA 0.017 4.357 4.340 -0.001 0.000 0.205 386 Q C 2.088 178.138 176.000 0.083 0.000 0.970 386 Q CA 1.300 57.152 55.803 0.082 0.000 0.876 386 Q CB -0.589 28.188 28.738 0.065 0.000 0.935 386 Q HN 0.680 nan 8.270 nan 0.000 0.455 387 A N -0.479 122.402 122.820 0.102 0.000 2.238 387 A HA 0.363 4.683 4.320 -0.001 0.000 0.208 387 A C 1.391 179.053 177.584 0.130 0.000 1.177 387 A CA 0.948 53.045 52.037 0.100 0.000 0.804 387 A CB -0.146 18.908 19.000 0.090 0.000 0.823 387 A HN 0.394 nan 8.150 nan 0.000 0.482 388 G N -2.739 106.146 108.800 0.143 0.000 2.163 388 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.213 388 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.213 388 G C 0.006 175.015 174.900 0.180 0.000 0.991 388 G CA -0.033 45.146 45.100 0.132 0.000 0.653 388 G HN 0.606 nan 8.290 nan 0.000 0.518 389 W N 1.769 123.088 121.300 0.033 0.000 2.251 389 W HA 0.573 5.233 4.660 -0.001 0.000 0.329 389 W C 0.127 176.664 176.519 0.030 0.000 1.234 389 W CA -0.154 57.212 57.345 0.036 0.000 1.228 389 W CB 0.882 30.373 29.460 0.052 0.000 1.135 389 W HN 0.227 nan 8.180 nan 0.000 0.576 390 E N 4.096 123.912 120.200 -0.640 0.000 2.167 390 E HA 0.276 4.626 4.350 -0.001 0.000 0.284 390 E C -0.933 175.468 176.600 -0.332 0.000 1.016 390 E CA -0.372 55.780 56.400 -0.414 0.000 0.817 390 E CB 1.030 30.469 29.700 -0.435 0.000 1.080 390 E HN 0.293 nan 8.360 nan 0.000 0.397 391 V N 2.172 122.058 119.914 -0.046 0.000 2.357 391 V HA 0.509 4.629 4.120 -0.001 0.000 0.284 391 V C 0.071 176.130 176.094 -0.058 0.000 1.018 391 V CA -0.596 61.724 62.300 0.033 0.000 0.841 391 V CB 0.845 32.698 31.823 0.049 0.000 0.991 391 V HN 0.691 nan 8.190 nan 0.000 0.437 392 T N 0.224 114.746 114.554 -0.052 0.000 2.934 392 T HA 0.427 4.776 4.350 -0.001 0.000 0.283 392 T C 0.796 175.453 174.700 -0.071 0.000 1.005 392 T CA 0.232 62.297 62.100 -0.059 0.000 1.041 392 T CB 1.902 70.744 68.868 -0.043 0.000 1.042 392 T HN 0.867 nan 8.240 nan 0.000 0.505 393 E N 0.203 120.367 120.200 -0.060 0.000 2.204 393 E HA -0.177 4.173 4.350 -0.001 0.000 0.195 393 E C 1.647 178.226 176.600 -0.035 0.000 0.990 393 E CA 1.012 57.377 56.400 -0.058 0.000 0.821 393 E CB 0.052 29.729 29.700 -0.040 0.000 0.750 393 E HN 0.658 nan 8.360 nan 0.000 0.477 394 E N 0.694 120.882 120.200 -0.020 0.000 2.107 394 E HA -0.163 4.186 4.350 -0.001 0.000 0.191 394 E C 1.860 178.471 176.600 0.018 0.000 0.982 394 E CA 0.967 57.367 56.400 0.001 0.000 0.809 394 E CB -0.058 29.644 29.700 0.003 0.000 0.756 394 E HN 0.468 nan 8.360 nan 0.000 0.459 395 E N 0.433 120.644 120.200 0.019 0.000 2.106 395 E HA -0.089 4.260 4.350 -0.001 0.000 0.192 395 E C 2.230 178.869 176.600 0.064 0.000 0.984 395 E CA 0.549 56.986 56.400 0.061 0.000 0.806 395 E CB -0.087 29.670 29.700 0.096 0.000 0.750 395 E HN 0.233 nan 8.360 nan 0.000 0.458 396 I N 1.314 121.870 120.570 -0.023 0.000 2.179 396 I HA -0.281 3.889 4.170 -0.001 0.000 0.242 396 I C 2.238 178.401 176.117 0.078 0.000 1.088 396 I CA 1.236 62.521 61.300 -0.025 0.000 1.357 396 I CB -0.180 37.715 38.000 -0.175 0.000 1.051 396 I HN 0.010 nan 8.210 nan 0.000 0.409 397 K N 0.305 120.731 120.400 0.043 0.000 2.097 397 K HA -0.203 4.116 4.320 -0.001 0.000 0.206 397 K C 2.266 178.912 176.600 0.076 0.000 1.049 397 K CA 1.085 57.405 56.287 0.054 0.000 0.933 397 K CB -0.215 32.301 32.500 0.027 0.000 0.717 397 K HN 0.268 nan 8.250 nan 0.000 0.442 398 R N 1.281 121.827 120.500 0.078 0.000 2.066 398 R HA -0.150 4.190 4.340 -0.001 0.000 0.232 398 R C 1.255 177.618 176.300 0.104 0.000 1.131 398 R CA 1.907 58.057 56.100 0.084 0.000 0.955 398 R CB -0.066 30.282 30.300 0.080 0.000 0.851 398 R HN 0.118 nan 8.270 nan 0.000 0.432 399 D N 0.208 120.690 120.400 0.136 0.000 2.097 399 D HA -0.118 4.522 4.640 -0.001 0.000 0.197 399 D C 2.033 178.413 176.300 0.133 0.000 0.984 399 D CA 1.144 55.230 54.000 0.143 0.000 0.826 399 D CB -0.248 40.691 40.800 0.231 0.000 0.973 399 D HN 0.102 nan 8.370 nan 0.000 0.460 400 V N 1.646 121.671 119.914 0.186 0.000 2.343 400 V HA -0.237 3.882 4.120 -0.001 0.000 0.247 400 V C 2.561 178.812 176.094 0.262 0.000 1.051 400 V CA 1.791 64.245 62.300 0.257 0.000 1.036 400 V CB -0.798 31.169 31.823 0.240 0.000 0.654 400 V HN 0.183 nan 8.190 nan 0.000 0.451 401 A N -0.395 122.522 122.820 0.162 0.000 1.933 401 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 401 A C 2.024 179.684 177.584 0.126 0.000 1.175 401 A CA 1.949 54.068 52.037 0.138 0.000 0.628 401 A CB -0.571 18.485 19.000 0.094 0.000 0.814 401 A HN 0.526 nan 8.150 nan 0.000 0.444 402 D N 0.162 120.616 120.400 0.088 0.000 2.087 402 D HA -0.132 4.508 4.640 -0.001 0.000 0.192 402 D C 1.996 178.282 176.300 -0.023 0.000 0.993 402 D CA 1.299 55.325 54.000 0.043 0.000 0.828 402 D CB -0.397 40.414 40.800 0.019 0.000 0.968 402 D HN 0.439 nan 8.370 nan 0.000 0.448 403 L N -0.626 120.538 121.223 -0.099 0.000 2.042 403 L HA -0.167 4.173 4.340 -0.001 0.000 0.210 403 L C 2.176 178.837 176.870 -0.348 0.000 1.076 403 L CA 1.021 55.661 54.840 -0.333 0.000 0.749 403 L CB -0.360 41.408 42.059 -0.486 0.000 0.893 403 L HN -0.008 nan 8.230 nan 0.000 0.432 404 F N -2.339 117.579 119.950 -0.054 0.000 2.776 404 F HA 0.040 4.567 4.527 -0.001 0.000 0.300 404 F C 2.100 177.850 175.800 -0.085 0.000 1.116 404 F CA 0.559 58.513 58.000 -0.077 0.000 1.375 404 F CB 0.469 39.402 39.000 -0.112 0.000 1.109 404 F HN -0.017 nan 8.300 nan 0.000 0.585 405 S N -1.156 114.622 115.700 0.131 0.000 4.257 405 S HA 0.107 4.576 4.470 -0.001 0.000 0.208 405 S C 1.783 176.525 174.600 0.237 0.000 1.152 405 S CA -0.204 58.095 58.200 0.164 0.000 1.110 405 S CB -0.270 63.054 63.200 0.206 0.000 1.434 405 S HN 0.052 nan 8.310 nan 0.000 0.509 406 R N 1.584 122.210 120.500 0.210 0.000 2.096 406 R HA 0.039 4.379 4.340 -0.001 0.000 0.235 406 R C 1.672 178.067 176.300 0.159 0.000 1.127 406 R CA 1.748 57.976 56.100 0.213 0.000 0.968 406 R CB -0.415 29.971 30.300 0.143 0.000 0.861 406 R HN 0.385 nan 8.270 nan 0.000 0.440 407 N N 0.591 119.345 118.700 0.091 0.000 2.120 407 N HA -0.184 4.556 4.740 -0.001 0.000 0.188 407 N C 1.441 176.997 175.510 0.076 0.000 1.024 407 N CA 1.130 54.217 53.050 0.061 0.000 0.852 407 N CB -0.405 38.075 38.487 -0.011 0.000 1.003 407 N HN 0.111 nan 8.380 nan 0.000 0.424 408 F N 0.226 120.109 119.950 -0.111 0.000 2.051 408 F HA -0.151 4.375 4.527 -0.001 0.000 0.296 408 F C 1.937 177.636 175.800 -0.169 0.000 1.122 408 F CA 1.481 59.344 58.000 -0.230 0.000 1.201 408 F CB -0.777 37.926 39.000 -0.495 0.000 0.978 408 F HN 0.058 nan 8.300 nan 0.000 0.472 409 W N 0.544 121.798 121.300 -0.077 0.000 2.342 409 W HA -0.148 4.512 4.660 -0.001 0.000 0.297 409 W C 2.807 179.236 176.519 -0.149 0.000 1.213 409 W CA 1.344 58.579 57.345 -0.183 0.000 1.251 409 W CB -0.506 28.939 29.460 -0.025 0.000 1.136 409 W HN -0.043 nan 8.180 nan 0.000 0.526 410 R N -0.264 120.326 120.500 0.151 0.000 2.081 410 R HA -0.202 4.137 4.340 -0.001 0.000 0.235 410 R C 2.144 178.486 176.300 0.070 0.000 1.131 410 R CA 1.724 57.888 56.100 0.107 0.000 0.960 410 R CB -0.799 29.572 30.300 0.118 0.000 0.856 410 R HN 0.179 nan 8.270 nan 0.000 0.436 411 F N 0.878 120.753 119.950 -0.125 0.000 2.186 411 F HA -0.137 4.390 4.527 -0.001 0.000 0.299 411 F C 1.959 177.644 175.800 -0.192 0.000 1.090 411 F CA 1.461 59.374 58.000 -0.144 0.000 1.307 411 F CB -0.089 38.816 39.000 -0.157 0.000 1.019 411 F HN -0.049 nan 8.300 nan 0.000 0.489 412 V N -1.848 117.898 119.914 -0.280 0.000 2.871 412 V HA 0.299 4.419 4.120 -0.001 0.000 0.256 412 V C 1.634 177.630 176.094 -0.162 0.000 1.082 412 V CA 0.884 63.002 62.300 -0.304 0.000 1.105 412 V CB -0.985 30.585 31.823 -0.422 0.000 0.713 412 V HN 0.647 nan 8.190 nan 0.000 0.473 413 G N 0.374 109.120 108.800 -0.090 0.000 2.165 413 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.226 413 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.226 413 G C 0.050 174.963 174.900 0.021 0.000 1.035 413 G CA 0.193 45.270 45.100 -0.038 0.000 0.744 413 G HN 0.614 nan 8.290 nan 0.000 0.501 414 R N 0.000 120.559 120.500 0.098 0.000 2.786 414 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 414 R CA 0.000 56.151 56.100 0.084 0.000 0.921 414 R CB 0.000 30.430 30.300 0.216 0.000 0.687 414 R HN 0.000 nan 8.270 nan 0.000 0.535