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 2isn_1_B DATA FIRST_RESID 3 DATA SEQUENCE KKVITVNEWY TTTVAATXLG RRPTDEDAIL VSAPXXXXPN VRIKAVFDGH DATA SEQUENCE AGEATSQYCA KHAAKHLGKL SEFTFAEVKK ACLSLDAEII RKLGPKHVAG DATA SEQUENCE STGIIVAIER LSAPVVENVV GREIVPRXXX XXFVPLEKLI QEEEEAXXXX DATA SEQUENCE XVGRYPRVPD VQQKTIPAGS FLVTAINIGD SRATLIHSDG GLTRLSKDHK DATA SEQUENCE PNHPTEASRI EKAGGSVETF DVPRVDGVLA LSRAFGDSDF KXNPXXPPEE DATA SEQUENCE QKVIAVPDVR QFYALSSDLL LLACDGVYEP SGXDWAYVRD LTVAEXQRSK DATA SEQUENCE GDLEEVAARV XDYAYDXNSQ DNISVXLVAF HNQEVEHPTA VYKVV 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.547 176.600 -0.089 0.000 0.988 3 K CA 0.000 56.246 56.287 -0.068 0.000 0.838 3 K CB 0.000 32.453 32.500 -0.079 0.000 1.064 4 K N 2.079 122.428 120.400 -0.084 0.000 2.248 4 K HA 0.292 4.612 4.320 -0.000 0.000 0.281 4 K C -0.317 176.261 176.600 -0.038 0.000 1.054 4 K CA -0.613 55.569 56.287 -0.176 0.000 0.903 4 K CB 1.860 34.267 32.500 -0.156 0.000 1.077 4 K HN 0.057 nan 8.250 nan 0.000 0.474 5 V N 0.649 120.513 119.914 -0.085 0.000 2.680 5 V HA 0.618 4.738 4.120 -0.000 0.000 0.309 5 V C -0.641 175.582 176.094 0.215 0.000 1.052 5 V CA -1.172 61.170 62.300 0.070 0.000 0.908 5 V CB 1.245 33.075 31.823 0.012 0.000 1.001 5 V HN 0.480 nan 8.190 nan 0.000 0.431 6 I N 2.712 123.423 120.570 0.235 0.000 2.404 6 I HA 0.667 4.837 4.170 -0.000 0.000 0.293 6 I C 0.318 176.495 176.117 0.100 0.000 0.992 6 I CA -0.137 61.292 61.300 0.215 0.000 1.149 6 I CB 1.919 39.983 38.000 0.107 0.000 1.315 6 I HN 0.724 nan 8.210 nan 0.000 0.446 7 T N 5.301 119.905 114.554 0.084 0.000 2.809 7 T HA 0.574 4.924 4.350 -0.000 0.000 0.284 7 T C -0.491 174.236 174.700 0.045 0.000 0.992 7 T CA -0.524 61.606 62.100 0.050 0.000 0.957 7 T CB 1.443 70.337 68.868 0.042 0.000 0.942 7 T HN 0.225 nan 8.240 nan 0.000 0.439 8 V N 4.712 124.647 119.914 0.035 0.000 2.357 8 V HA 0.418 4.538 4.120 -0.000 0.000 0.284 8 V C -0.147 175.978 176.094 0.052 0.000 1.018 8 V CA -0.969 61.354 62.300 0.038 0.000 0.841 8 V CB 1.276 33.116 31.823 0.028 0.000 0.991 8 V HN 0.774 nan 8.190 nan 0.000 0.437 9 N N 5.153 123.890 118.700 0.062 0.000 2.546 9 N HA 0.496 5.236 4.740 -0.000 0.000 0.238 9 N C -0.544 175.016 175.510 0.083 0.000 0.984 9 N CA -0.187 52.911 53.050 0.080 0.000 0.935 9 N CB 1.711 40.236 38.487 0.063 0.000 1.122 9 N HN 0.749 nan 8.380 nan 0.000 0.510 10 E N 0.492 120.767 120.200 0.125 0.000 2.430 10 E HA 0.147 4.497 4.350 -0.000 0.000 0.279 10 E C -0.611 176.159 176.600 0.284 0.000 1.003 10 E CA -0.760 55.732 56.400 0.153 0.000 0.801 10 E CB 1.870 31.653 29.700 0.140 0.000 1.313 10 E HN 0.243 nan 8.360 nan 0.000 0.459 11 W N 0.766 122.060 121.300 -0.010 0.000 2.338 11 W HA -0.402 4.258 4.660 0.000 0.000 0.294 11 W C -0.195 176.269 176.519 -0.092 0.000 1.426 11 W CA 1.808 59.153 57.345 0.000 0.000 1.387 11 W CB -1.111 28.450 29.460 0.169 0.000 0.897 11 W HN 0.757 nan 8.180 nan 0.000 0.509 12 Y N 0.915 121.171 120.300 -0.073 0.000 2.696 12 Y HA 0.420 4.970 4.550 0.000 0.000 0.260 12 Y C 0.725 176.654 175.900 0.050 0.000 1.165 12 Y CA 0.511 58.543 58.100 -0.113 0.000 1.189 12 Y CB 0.226 38.448 38.460 -0.396 0.000 1.180 12 Y HN 0.249 nan 8.280 nan 0.000 0.538 13 T N -3.480 111.217 114.554 0.239 0.000 2.896 13 T HA 0.627 4.977 4.350 -0.000 0.000 0.297 13 T C -0.390 174.332 174.700 0.036 0.000 1.108 13 T CA -0.849 61.224 62.100 -0.045 0.000 1.004 13 T CB 2.314 71.116 68.868 -0.110 0.000 1.159 13 T HN -0.166 nan 8.240 nan 0.000 0.499 14 T N 2.167 116.638 114.554 -0.139 0.000 2.847 14 T HA 0.622 4.972 4.350 -0.000 0.000 0.291 14 T C -0.744 173.889 174.700 -0.111 0.000 0.998 14 T CA -0.497 61.595 62.100 -0.013 0.000 0.967 14 T CB 1.322 70.231 68.868 0.068 0.000 0.954 14 T HN 0.811 nan 8.240 nan 0.000 0.441 15 T N 3.014 117.534 114.554 -0.055 0.000 2.807 15 T HA 0.662 5.012 4.350 -0.000 0.000 0.279 15 T C -0.106 174.578 174.700 -0.026 0.000 0.993 15 T CA -0.737 61.323 62.100 -0.067 0.000 0.970 15 T CB 1.281 70.118 68.868 -0.052 0.000 0.950 15 T HN 0.567 nan 8.240 nan 0.000 0.441 16 V N 0.026 119.923 119.914 -0.028 0.000 2.656 16 V HA 1.049 5.169 4.120 -0.000 0.000 0.307 16 V C -0.515 175.580 176.094 0.001 0.000 1.051 16 V CA -1.147 61.151 62.300 -0.002 0.000 0.893 16 V CB 1.205 33.027 31.823 -0.002 0.000 0.999 16 V HN 1.141 nan 8.190 nan 0.000 0.426 17 A N 2.970 125.803 122.820 0.022 0.000 2.539 17 A HA 1.104 5.424 4.320 -0.000 0.000 0.296 17 A C -0.325 177.287 177.584 0.046 0.000 1.073 17 A CA -0.231 51.821 52.037 0.023 0.000 0.700 17 A CB 1.921 20.931 19.000 0.017 0.000 1.296 17 A HN 2.624 nan 8.150 nan 0.000 0.405 18 A N 0.083 122.926 122.820 0.039 0.000 2.612 18 A HA 0.922 5.242 4.320 -0.000 0.000 0.293 18 A C -0.494 177.113 177.584 0.038 0.000 1.075 18 A CA 0.204 52.270 52.037 0.049 0.000 0.680 18 A CB 1.301 20.321 19.000 0.033 0.000 1.279 18 A HN 1.882 nan 8.150 nan 0.000 0.411 22 G N 1.005 109.840 108.800 0.058 0.000 2.550 22 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.277 22 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.277 22 G C 0.639 175.675 174.900 0.227 0.000 1.190 22 G CA 0.480 45.695 45.100 0.192 0.000 0.971 22 G HN 0.224 nan 8.290 nan 0.000 0.559 23 R N 0.396 121.036 120.500 0.233 0.000 2.320 23 R HA 0.233 4.573 4.340 -0.000 0.000 0.211 23 R C 1.122 177.472 176.300 0.084 0.000 0.931 23 R CA -0.016 56.173 56.100 0.150 0.000 1.071 23 R CB 0.193 30.546 30.300 0.090 0.000 1.025 23 R HN 0.283 nan 8.270 nan 0.000 0.495 24 R N 1.476 122.023 120.500 0.078 0.000 2.500 24 R HA 0.150 4.490 4.340 -0.000 0.000 0.275 24 R C -1.402 174.926 176.300 0.047 0.000 1.051 24 R CA -1.975 54.159 56.100 0.056 0.000 1.088 24 R CB 0.495 30.829 30.300 0.056 0.000 1.063 24 R HN -0.137 nan 8.270 nan 0.000 0.511 25 P HA -0.054 nan 4.420 nan 0.000 0.219 25 P C -0.210 177.108 177.300 0.030 0.000 1.150 25 P CA 1.041 64.160 63.100 0.031 0.000 0.814 25 P CB 0.296 32.013 31.700 0.027 0.000 0.787 26 T N -3.444 111.131 114.554 0.034 0.000 2.887 26 T HA 0.460 4.810 4.350 -0.000 0.000 0.292 26 T C -1.373 173.351 174.700 0.039 0.000 1.087 26 T CA -0.762 61.358 62.100 0.033 0.000 1.009 26 T CB 2.204 71.091 68.868 0.031 0.000 1.203 26 T HN -0.265 nan 8.240 nan 0.000 0.518 27 D N 0.799 121.221 120.400 0.038 0.000 2.462 27 D HA 0.216 4.856 4.640 -0.000 0.000 0.245 27 D C 0.453 176.781 176.300 0.047 0.000 1.122 27 D CA -0.527 53.499 54.000 0.044 0.000 0.864 27 D CB 1.243 42.067 40.800 0.039 0.000 1.098 27 D HN 0.748 nan 8.370 nan 0.000 0.541 28 E N 1.736 121.970 120.200 0.057 0.000 2.437 28 E HA 0.132 4.482 4.350 -0.000 0.000 0.195 28 E C -0.603 176.044 176.600 0.077 0.000 1.029 28 E CA -0.496 55.940 56.400 0.060 0.000 0.948 28 E CB 0.447 30.183 29.700 0.060 0.000 1.082 28 E HN 0.190 nan 8.360 nan 0.000 0.456 29 D N 1.829 122.276 120.400 0.078 0.000 2.210 29 D HA 0.485 5.125 4.640 -0.000 0.000 0.249 29 D C -0.721 175.636 176.300 0.094 0.000 1.062 29 D CA -0.212 53.846 54.000 0.096 0.000 0.891 29 D CB 1.738 42.586 40.800 0.080 0.000 1.186 29 D HN 0.270 nan 8.370 nan 0.000 0.432 30 A N 2.251 125.154 122.820 0.138 0.000 2.422 30 A HA 0.689 5.009 4.320 -0.000 0.000 0.302 30 A C -0.828 176.861 177.584 0.175 0.000 1.041 30 A CA -0.651 51.465 52.037 0.131 0.000 0.708 30 A CB 0.904 19.976 19.000 0.121 0.000 1.257 30 A HN 0.513 nan 8.150 nan 0.000 0.414 31 I N 2.563 123.198 120.570 0.109 0.000 2.436 31 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 31 I C -0.492 175.672 176.117 0.078 0.000 1.010 31 I CA -0.429 60.922 61.300 0.084 0.000 1.098 31 I CB 1.860 39.880 38.000 0.034 0.000 1.266 31 I HN 0.613 nan 8.210 nan 0.000 0.434 32 L N 7.631 128.915 121.223 0.101 0.000 2.302 32 L HA 0.236 4.576 4.340 -0.000 0.000 0.285 32 L C 0.849 177.732 176.870 0.021 0.000 1.090 32 L CA -0.178 54.709 54.840 0.079 0.000 0.866 32 L CB 0.996 43.148 42.059 0.154 0.000 1.244 32 L HN 0.557 nan 8.230 nan 0.000 0.435 33 V N 2.862 122.778 119.914 0.003 0.000 2.427 33 V HA -0.078 4.042 4.120 -0.000 0.000 0.248 33 V C 0.985 177.072 176.094 -0.012 0.000 1.051 33 V CA 1.305 63.600 62.300 -0.009 0.000 1.048 33 V CB -0.248 31.568 31.823 -0.013 0.000 0.666 33 V HN 0.825 nan 8.190 nan 0.000 0.456 34 S N -1.769 113.923 115.700 -0.014 0.000 2.608 34 S HA 0.691 5.161 4.470 -0.000 0.000 0.285 34 S C -1.530 173.051 174.600 -0.031 0.000 1.108 34 S CA 0.086 58.272 58.200 -0.023 0.000 0.858 34 S CB 1.520 64.707 63.200 -0.021 0.000 1.077 34 S HN 0.917 nan 8.310 nan 0.000 0.450 35 A N 4.270 127.064 122.820 -0.044 0.000 2.555 35 A HA 0.829 5.149 4.320 -0.000 0.000 0.297 35 A C -3.168 174.375 177.584 -0.068 0.000 1.060 35 A CA -1.154 50.858 52.037 -0.043 0.000 0.710 35 A CB 1.539 20.530 19.000 -0.014 0.000 1.282 35 A HN 0.536 nan 8.150 nan 0.000 0.399 42 N N -1.066 117.727 118.700 0.157 0.000 2.850 42 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 42 N C -1.441 174.259 175.510 0.317 0.000 1.060 42 N CA 0.835 54.122 53.050 0.395 0.000 0.825 42 N CB -0.807 37.877 38.487 0.329 0.000 1.132 42 N HN 0.442 nan 8.380 nan 0.000 0.564 43 V N 0.710 120.623 119.914 -0.001 0.000 2.638 43 V HA 0.745 4.865 4.120 -0.000 0.000 0.306 43 V C -0.222 175.718 176.094 -0.256 0.000 1.052 43 V CA -0.667 61.635 62.300 0.003 0.000 0.885 43 V CB 1.913 33.843 31.823 0.177 0.000 0.999 43 V HN 0.250 nan 8.190 nan 0.000 0.424 44 R N 4.690 125.042 120.500 -0.247 0.000 2.810 44 R HA 0.732 5.072 4.340 -0.000 0.000 0.245 44 R C -0.995 175.246 176.300 -0.099 0.000 1.168 44 R CA -1.073 54.881 56.100 -0.244 0.000 1.096 44 R CB 1.299 31.475 30.300 -0.207 0.000 1.259 44 R HN 0.669 nan 8.270 nan 0.000 0.518 45 I N 0.764 121.291 120.570 -0.071 0.000 2.644 45 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 45 I C -0.570 175.534 176.117 -0.022 0.000 1.180 45 I CA -0.630 60.641 61.300 -0.047 0.000 1.040 45 I CB 1.968 39.959 38.000 -0.015 0.000 1.255 45 I HN 0.369 nan 8.210 nan 0.000 0.422 46 K N 3.615 124.002 120.400 -0.021 0.000 2.482 46 K HA 0.984 5.304 4.320 -0.000 0.000 0.257 46 K C -1.118 175.449 176.600 -0.054 0.000 0.969 46 K CA -0.842 55.431 56.287 -0.022 0.000 0.842 46 K CB 3.488 35.974 32.500 -0.022 0.000 1.359 46 K HN 0.774 nan 8.250 nan 0.000 0.441 47 A N 0.699 123.467 122.820 -0.087 0.000 2.597 47 A HA 0.594 4.914 4.320 -0.000 0.000 0.292 47 A C -1.817 175.595 177.584 -0.286 0.000 1.057 47 A CA -0.654 51.231 52.037 -0.252 0.000 0.674 47 A CB 1.506 20.242 19.000 -0.439 0.000 1.278 47 A HN 0.282 nan 8.150 nan 0.000 0.416 48 V N 1.059 120.728 119.914 -0.408 0.000 2.483 48 V HA 0.591 4.711 4.120 -0.000 0.000 0.297 48 V C -1.478 174.394 176.094 -0.370 0.000 1.027 48 V CA -0.197 61.957 62.300 -0.242 0.000 0.855 48 V CB 1.072 32.834 31.823 -0.102 0.000 0.995 48 V HN 0.656 nan 8.190 nan 0.000 0.424 49 F N 2.724 122.711 119.950 0.063 0.000 2.426 49 F HA 0.494 5.021 4.527 0.000 0.000 0.348 49 F C 0.111 175.958 175.800 0.078 0.000 1.124 49 F CA -0.841 57.211 58.000 0.085 0.000 1.008 49 F CB 1.563 40.602 39.000 0.065 0.000 1.139 49 F HN 0.464 nan 8.300 nan 0.000 0.452 50 D N 2.964 123.515 120.400 0.250 0.000 2.454 50 D HA 0.391 5.031 4.640 -0.000 0.000 0.225 50 D C 0.199 176.619 176.300 0.201 0.000 1.081 50 D CA -0.153 53.959 54.000 0.187 0.000 0.864 50 D CB 0.953 41.841 40.800 0.146 0.000 1.040 50 D HN 0.637 nan 8.370 nan 0.000 0.517 51 G N 2.587 111.475 108.800 0.147 0.000 2.504 51 G HA2 0.516 4.476 3.960 -0.000 0.000 0.288 51 G HA3 0.516 4.476 3.960 -0.000 0.000 0.288 51 G C -0.497 174.468 174.900 0.109 0.000 1.182 51 G CA -0.559 44.579 45.100 0.064 0.000 0.894 51 G HN 0.718 nan 8.290 nan 0.000 0.521 52 H N -2.098 117.006 119.070 0.056 0.000 2.996 52 H HA 0.525 5.081 4.556 0.000 0.000 0.368 52 H C 0.221 175.569 175.328 0.033 0.000 1.185 52 H CA -0.487 55.583 56.048 0.036 0.000 1.160 52 H CB 1.209 30.982 29.762 0.019 0.000 1.820 52 H HN 1.621 nan 8.280 nan 0.000 0.547 53 A N 0.732 123.645 122.820 0.154 0.000 2.860 53 A HA 0.050 4.370 4.320 -0.000 0.000 0.267 53 A C 0.960 178.571 177.584 0.045 0.000 1.421 53 A CA 1.649 53.745 52.037 0.099 0.000 0.831 53 A CB -1.898 17.184 19.000 0.136 0.000 1.041 53 A HN 2.304 nan 8.150 nan 0.000 0.623 54 G N -1.987 106.833 108.800 0.033 0.000 2.333 54 G HA2 0.532 4.492 3.960 -0.000 0.000 0.330 54 G HA3 0.532 4.492 3.960 -0.000 0.000 0.330 54 G C -0.208 174.697 174.900 0.010 0.000 1.465 54 G CA 0.577 45.687 45.100 0.018 0.000 0.996 54 G HN 1.328 nan 8.290 nan 0.000 0.655 55 E N -0.266 119.943 120.200 0.015 0.000 2.447 55 E HA 0.307 4.657 4.350 -0.000 0.000 0.204 55 E C 2.086 178.696 176.600 0.016 0.000 0.977 55 E CA 1.293 57.705 56.400 0.019 0.000 0.950 55 E CB -0.139 29.576 29.700 0.024 0.000 0.975 55 E HN 1.148 nan 8.360 nan 0.000 0.496 56 A N 1.733 124.563 122.820 0.016 0.000 1.884 56 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 56 A C 2.406 180.012 177.584 0.037 0.000 1.197 56 A CA 2.729 54.785 52.037 0.031 0.000 0.637 56 A CB -1.374 17.639 19.000 0.022 0.000 0.827 56 A HN 0.342 nan 8.150 nan 0.000 0.450 57 T N 0.371 114.922 114.554 -0.005 0.000 2.708 57 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 57 T C 2.386 177.063 174.700 -0.040 0.000 1.037 57 T CA 2.122 64.206 62.100 -0.026 0.000 1.146 57 T CB -0.534 68.304 68.868 -0.050 0.000 0.865 57 T HN 0.832 nan 8.240 nan 0.000 0.435 58 S N 2.234 117.919 115.700 -0.024 0.000 2.368 58 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 58 S C 2.081 176.629 174.600 -0.087 0.000 1.030 58 S CA 0.995 59.184 58.200 -0.018 0.000 0.999 58 S CB -0.629 62.620 63.200 0.083 0.000 0.844 58 S HN 0.571 nan 8.310 nan 0.000 0.459 59 Q N -0.487 119.293 119.800 -0.033 0.000 2.167 59 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 59 Q C 1.969 177.900 176.000 -0.115 0.000 0.970 59 Q CA 1.443 57.212 55.803 -0.056 0.000 0.855 59 Q CB -0.392 28.334 28.738 -0.020 0.000 0.911 59 Q HN 0.768 nan 8.270 nan 0.000 0.438 60 Y N 0.705 120.905 120.300 -0.167 0.000 2.181 60 Y HA -0.291 4.259 4.550 -0.000 0.000 0.288 60 Y C 2.358 178.096 175.900 -0.271 0.000 1.146 60 Y CA 1.260 59.281 58.100 -0.132 0.000 1.164 60 Y CB -0.224 38.191 38.460 -0.075 0.000 0.982 60 Y HN 0.129 nan 8.280 nan 0.000 0.515 61 C N 0.008 119.113 119.300 -0.324 0.000 2.413 61 C HA -0.200 4.260 4.460 -0.000 0.000 0.276 61 C C 3.039 177.530 174.990 -0.832 0.000 1.236 61 C CA 1.236 59.747 59.018 -0.844 0.000 1.735 61 C CB -1.741 24.964 27.740 -1.725 0.000 2.031 61 C HN 0.730 nan 8.230 nan 0.000 0.474 62 A N 0.279 122.723 122.820 -0.626 0.000 1.940 62 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 62 A C 2.220 179.680 177.584 -0.207 0.000 1.176 62 A CA 2.160 54.107 52.037 -0.150 0.000 0.631 62 A CB -0.575 18.430 19.000 0.008 0.000 0.814 62 A HN 0.719 nan 8.150 nan 0.000 0.446 63 K N -2.012 118.149 120.400 -0.397 0.000 2.228 63 K HA -0.113 4.207 4.320 -0.000 0.000 0.202 63 K C 1.025 177.167 176.600 -0.763 0.000 1.051 63 K CA 1.286 57.208 56.287 -0.610 0.000 0.960 63 K CB -0.056 31.939 32.500 -0.842 0.000 0.743 63 K HN 0.652 nan 8.250 nan 0.000 0.458 64 H N -1.680 117.210 119.070 -0.300 0.000 3.058 64 H HA 0.264 4.820 4.556 -0.000 0.000 0.266 64 H C 1.435 176.759 175.328 -0.006 0.000 1.135 64 H CA 0.460 56.400 56.048 -0.180 0.000 1.174 64 H CB 0.835 30.427 29.762 -0.283 0.000 1.581 64 H HN 0.214 nan 8.280 nan 0.000 0.553 65 A N 1.540 124.365 122.820 0.008 0.000 1.883 65 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 65 A C 2.545 180.231 177.584 0.170 0.000 1.186 65 A CA 1.877 53.955 52.037 0.068 0.000 0.624 65 A CB -0.690 18.374 19.000 0.107 0.000 0.822 65 A HN 0.350 nan 8.150 nan 0.000 0.444 66 A N -0.233 122.662 122.820 0.125 0.000 2.019 66 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 66 A C 2.022 179.671 177.584 0.110 0.000 1.164 66 A CA 2.181 54.286 52.037 0.114 0.000 0.644 66 A CB -0.437 18.601 19.000 0.063 0.000 0.805 66 A HN 0.607 nan 8.150 nan 0.000 0.449 67 K N -0.683 119.780 120.400 0.105 0.000 2.032 67 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 67 K C 1.755 178.347 176.600 -0.014 0.000 1.048 67 K CA 2.155 58.461 56.287 0.032 0.000 0.927 67 K CB -0.367 32.145 32.500 0.021 0.000 0.712 67 K HN 0.615 nan 8.250 nan 0.000 0.441 68 H N -0.223 118.886 119.070 0.064 0.000 2.343 68 H HA 0.066 4.622 4.556 -0.000 0.000 0.303 68 H C 1.859 177.247 175.328 0.099 0.000 1.068 68 H CA 1.755 57.845 56.048 0.070 0.000 1.359 68 H CB -0.036 29.768 29.762 0.070 0.000 1.402 68 H HN 0.053 nan 8.280 nan 0.000 0.515 69 L N -0.381 121.004 121.223 0.269 0.000 2.093 69 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 69 L C 2.634 179.684 176.870 0.301 0.000 1.085 69 L CA 1.024 56.041 54.840 0.295 0.000 0.755 69 L CB -0.627 41.609 42.059 0.294 0.000 0.904 69 L HN 0.413 nan 8.230 nan 0.000 0.435 70 G N 0.200 109.126 108.800 0.210 0.000 2.479 70 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 70 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 70 G C 1.597 176.555 174.900 0.096 0.000 1.115 70 G CA 0.447 45.649 45.100 0.171 0.000 0.757 70 G HN 0.370 nan 8.290 nan 0.000 0.560 71 K N -0.617 119.820 120.400 0.061 0.000 2.288 71 K HA 0.078 4.398 4.320 -0.000 0.000 0.201 71 K C 0.153 176.733 176.600 -0.032 0.000 1.048 71 K CA -0.176 56.115 56.287 0.007 0.000 0.956 71 K CB -0.050 32.447 32.500 -0.004 0.000 0.746 71 K HN 0.186 nan 8.250 nan 0.000 0.461 72 L N 1.308 122.498 121.223 -0.056 0.000 2.499 72 L HA -0.052 4.288 4.340 -0.000 0.000 0.273 72 L C 1.630 178.311 176.870 -0.316 0.000 1.195 72 L CA 0.548 55.269 54.840 -0.198 0.000 0.882 72 L CB 1.096 42.980 42.059 -0.291 0.000 1.133 72 L HN -0.028 nan 8.230 nan 0.000 0.483 73 S N 2.002 117.563 115.700 -0.233 0.000 2.406 73 S HA 0.058 4.528 4.470 -0.000 0.000 0.228 73 S C 0.455 174.886 174.600 -0.282 0.000 1.020 73 S CA 0.824 58.906 58.200 -0.196 0.000 0.965 73 S CB 0.130 63.263 63.200 -0.112 0.000 0.798 73 S HN 0.731 nan 8.310 nan 0.000 0.488 74 E N -1.132 118.854 120.200 -0.355 0.000 2.390 74 E HA 0.338 4.688 4.350 -0.000 0.000 0.277 74 E C -1.604 174.746 176.600 -0.416 0.000 0.939 74 E CA -0.551 55.645 56.400 -0.340 0.000 0.769 74 E CB 1.350 30.979 29.700 -0.117 0.000 1.251 74 E HN 0.209 nan 8.360 nan 0.000 0.450 75 F N 1.481 121.471 119.950 0.068 0.000 2.894 75 F HA 0.133 4.660 4.527 -0.000 0.000 0.310 75 F C 0.942 176.797 175.800 0.092 0.000 1.204 75 F CA -0.414 57.635 58.000 0.082 0.000 1.290 75 F CB -0.207 38.853 39.000 0.099 0.000 1.317 75 F HN 0.242 nan 8.300 nan 0.000 0.545 76 T N -3.676 110.978 114.554 0.168 0.000 2.816 76 T HA 0.107 4.457 4.350 -0.000 0.000 0.282 76 T C 1.170 175.990 174.700 0.200 0.000 0.993 76 T CA -0.451 61.751 62.100 0.170 0.000 0.994 76 T CB 0.770 69.704 68.868 0.111 0.000 1.025 76 T HN 0.235 nan 8.240 nan 0.000 0.529 77 F N 1.428 121.438 119.950 0.100 0.000 2.102 77 F HA 0.083 4.610 4.527 0.000 0.000 0.298 77 F C 2.571 178.424 175.800 0.089 0.000 1.105 77 F CA 1.692 59.752 58.000 0.100 0.000 1.239 77 F CB -1.095 37.955 39.000 0.083 0.000 0.991 77 F HN 0.737 nan 8.300 nan 0.000 0.474 78 A N 0.327 123.140 122.820 -0.012 0.000 1.883 78 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 78 A C 2.176 179.672 177.584 -0.146 0.000 1.186 78 A CA 1.983 53.950 52.037 -0.117 0.000 0.624 78 A CB -0.842 18.183 19.000 0.040 0.000 0.822 78 A HN 0.474 nan 8.150 nan 0.000 0.444 79 E N -0.323 119.843 120.200 -0.057 0.000 2.072 79 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 79 E C 2.234 178.825 176.600 -0.016 0.000 0.985 79 E CA 1.245 57.625 56.400 -0.033 0.000 0.801 79 E CB -0.567 29.119 29.700 -0.023 0.000 0.750 79 E HN 0.397 nan 8.360 nan 0.000 0.452 80 V N 1.814 121.728 119.914 -0.000 0.000 2.427 80 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 80 V C 2.531 178.600 176.094 -0.042 0.000 1.051 80 V CA 1.707 64.043 62.300 0.060 0.000 1.048 80 V CB -0.428 31.478 31.823 0.138 0.000 0.666 80 V HN 0.222 nan 8.190 nan 0.000 0.456 81 K N 0.675 120.912 120.400 -0.272 0.000 2.097 81 K HA -0.249 4.071 4.320 -0.000 0.000 0.206 81 K C 2.286 178.810 176.600 -0.128 0.000 1.049 81 K CA 1.856 57.953 56.287 -0.318 0.000 0.933 81 K CB -0.153 31.909 32.500 -0.731 0.000 0.717 81 K HN 0.417 nan 8.250 nan 0.000 0.442 82 K N 0.222 120.562 120.400 -0.101 0.000 2.057 82 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 82 K C 1.997 178.618 176.600 0.035 0.000 1.049 82 K CA 1.234 57.507 56.287 -0.024 0.000 0.931 82 K CB -0.207 32.284 32.500 -0.015 0.000 0.714 82 K HN 0.212 nan 8.250 nan 0.000 0.440 83 A N 1.004 123.862 122.820 0.063 0.000 1.877 83 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 83 A C 2.467 180.116 177.584 0.109 0.000 1.186 83 A CA 1.761 53.877 52.037 0.133 0.000 0.620 83 A CB -1.083 18.021 19.000 0.173 0.000 0.822 83 A HN 0.588 nan 8.150 nan 0.000 0.443 84 C N -0.746 118.633 119.300 0.132 0.000 2.429 84 C HA -0.031 4.429 4.460 -0.000 0.000 0.277 84 C C 2.626 177.736 174.990 0.199 0.000 1.262 84 C CA 0.948 60.110 59.018 0.240 0.000 1.733 84 C CB -1.512 26.384 27.740 0.260 0.000 2.010 84 C HN 0.615 nan 8.230 nan 0.000 0.483 85 L N 0.496 121.773 121.223 0.090 0.000 2.141 85 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 85 L C 2.761 179.657 176.870 0.043 0.000 1.094 85 L CA 1.524 56.400 54.840 0.060 0.000 0.763 85 L CB -0.693 41.380 42.059 0.024 0.000 0.908 85 L HN 0.386 nan 8.230 nan 0.000 0.437 86 S N 0.401 116.121 115.700 0.033 0.000 2.355 86 S HA -0.178 4.292 4.470 -0.000 0.000 0.222 86 S C 1.945 176.477 174.600 -0.113 0.000 1.031 86 S CA 1.187 59.406 58.200 0.031 0.000 0.993 86 S CB -0.192 63.105 63.200 0.161 0.000 0.859 86 S HN 0.307 nan 8.310 nan 0.000 0.453 87 L N 2.021 123.024 121.223 -0.366 0.000 2.046 87 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 87 L C 1.927 178.684 176.870 -0.188 0.000 1.077 87 L CA 2.518 57.016 54.840 -0.570 0.000 0.747 87 L CB -1.162 40.535 42.059 -0.604 0.000 0.896 87 L HN 0.300 nan 8.230 nan 0.000 0.432 88 D N -0.557 119.858 120.400 0.025 0.000 2.097 88 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 88 D C 2.168 178.472 176.300 0.006 0.000 0.989 88 D CA 1.489 55.563 54.000 0.124 0.000 0.827 88 D CB -0.064 40.865 40.800 0.214 0.000 0.966 88 D HN 0.456 nan 8.370 nan 0.000 0.456 89 A N 0.395 123.214 122.820 -0.002 0.000 1.908 89 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 89 A C 2.157 179.712 177.584 -0.048 0.000 1.181 89 A CA 1.972 54.000 52.037 -0.015 0.000 0.627 89 A CB -0.819 18.183 19.000 0.003 0.000 0.818 89 A HN 0.424 nan 8.150 nan 0.000 0.445 90 E N -0.277 119.890 120.200 -0.055 0.000 2.110 90 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 90 E C 1.863 178.328 176.600 -0.226 0.000 0.988 90 E CA 1.203 57.559 56.400 -0.073 0.000 0.804 90 E CB -0.222 29.493 29.700 0.023 0.000 0.745 90 E HN 0.680 nan 8.360 nan 0.000 0.458 91 I N 0.763 121.152 120.570 -0.301 0.000 2.179 91 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 91 I C 2.351 178.287 176.117 -0.303 0.000 1.088 91 I CA 1.075 62.079 61.300 -0.494 0.000 1.357 91 I CB -0.193 37.604 38.000 -0.340 0.000 1.051 91 I HN 0.204 nan 8.210 nan 0.000 0.409 92 I N 0.199 120.674 120.570 -0.160 0.000 2.315 92 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 92 I C 2.739 178.797 176.117 -0.097 0.000 1.117 92 I CA 1.128 62.367 61.300 -0.101 0.000 1.404 92 I CB -0.424 37.545 38.000 -0.052 0.000 1.071 92 I HN 0.196 nan 8.210 nan 0.000 0.419 93 R N 1.273 121.714 120.500 -0.099 0.000 2.092 93 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 93 R C 2.187 178.436 176.300 -0.085 0.000 1.119 93 R CA 1.248 57.303 56.100 -0.073 0.000 0.970 93 R CB 0.106 30.372 30.300 -0.055 0.000 0.864 93 R HN 0.199 nan 8.270 nan 0.000 0.440 94 K N -0.178 120.137 120.400 -0.142 0.000 2.137 94 K HA 0.017 4.337 4.320 -0.000 0.000 0.202 94 K C 1.644 178.176 176.600 -0.114 0.000 1.052 94 K CA 0.586 56.794 56.287 -0.132 0.000 0.961 94 K CB 0.280 32.655 32.500 -0.208 0.000 0.741 94 K HN 0.221 nan 8.250 nan 0.000 0.452 95 L N -0.462 120.669 121.223 -0.154 0.000 2.590 95 L HA 0.162 4.502 4.340 -0.000 0.000 0.227 95 L C 1.472 178.311 176.870 -0.050 0.000 1.099 95 L CA 0.544 55.327 54.840 -0.095 0.000 0.872 95 L CB -0.434 41.551 42.059 -0.124 0.000 1.088 95 L HN 0.071 nan 8.230 nan 0.000 0.479 96 G N 0.252 109.020 108.800 -0.054 0.000 3.271 96 G HA2 0.318 4.278 3.960 -0.000 0.000 0.174 96 G HA3 0.318 4.278 3.960 -0.000 0.000 0.174 96 G C -1.322 173.566 174.900 -0.020 0.000 1.385 96 G CA 0.091 45.174 45.100 -0.029 0.000 0.979 96 G HN 0.081 nan 8.290 nan 0.000 0.610 97 P HA 0.111 nan 4.420 nan 0.000 0.218 97 P C 0.358 177.625 177.300 -0.055 0.000 1.149 97 P CA 0.873 63.950 63.100 -0.039 0.000 0.817 97 P CB 0.202 31.880 31.700 -0.037 0.000 0.785 98 K N -0.615 119.750 120.400 -0.058 0.000 2.098 98 K HA 0.195 4.515 4.320 -0.000 0.000 0.261 98 K C -0.015 176.541 176.600 -0.073 0.000 0.987 98 K CA -0.657 55.533 56.287 -0.163 0.000 0.916 98 K CB 0.401 32.755 32.500 -0.243 0.000 1.039 98 K HN 0.134 nan 8.250 nan 0.000 0.455 99 H N -1.567 117.514 119.070 0.020 0.000 2.791 99 H HA -0.137 4.419 4.556 0.000 0.000 0.302 99 H C -0.541 174.802 175.328 0.026 0.000 1.198 99 H CA 0.226 56.294 56.048 0.032 0.000 1.145 99 H CB -2.119 27.656 29.762 0.023 0.000 1.385 99 H HN 0.166 nan 8.280 nan 0.000 0.409 100 V N 0.439 120.395 119.914 0.069 0.000 2.508 100 V HA 0.368 4.488 4.120 -0.000 0.000 0.281 100 V C 1.440 177.552 176.094 0.030 0.000 1.041 100 V CA 0.246 62.566 62.300 0.033 0.000 1.016 100 V CB 1.297 33.114 31.823 -0.009 0.000 0.984 100 V HN 0.597 nan 8.190 nan 0.000 0.478 101 A N 4.495 127.319 122.820 0.005 0.000 2.492 101 A HA 0.558 4.878 4.320 -0.000 0.000 0.236 101 A C 0.811 178.321 177.584 -0.124 0.000 1.078 101 A CA 0.534 52.546 52.037 -0.041 0.000 0.773 101 A CB 0.033 19.008 19.000 -0.042 0.000 1.023 101 A HN 1.125 nan 8.150 nan 0.000 0.504 102 G N -1.055 107.537 108.800 -0.347 0.000 2.509 102 G HA2 0.566 4.526 3.960 -0.000 0.000 0.328 102 G HA3 0.566 4.526 3.960 -0.000 0.000 0.328 102 G C -0.527 174.031 174.900 -0.570 0.000 1.194 102 G CA 0.218 45.016 45.100 -0.504 0.000 0.967 102 G HN 1.299 nan 8.290 nan 0.000 0.488 103 S N -1.210 114.390 115.700 -0.166 0.000 2.535 103 S HA 0.632 5.102 4.470 -0.000 0.000 0.272 103 S C 0.078 174.850 174.600 0.287 0.000 1.149 103 S CA -0.121 58.132 58.200 0.089 0.000 0.888 103 S CB 1.270 64.570 63.200 0.167 0.000 1.110 103 S HN 1.256 nan 8.310 nan 0.000 0.463 104 T N 0.988 115.728 114.554 0.309 0.000 2.788 104 T HA 0.797 5.147 4.350 -0.000 0.000 0.280 104 T C 0.429 175.375 174.700 0.409 0.000 0.984 104 T CA -0.117 62.150 62.100 0.278 0.000 0.972 104 T CB 1.076 70.063 68.868 0.198 0.000 1.039 104 T HN 1.266 nan 8.240 nan 0.000 0.530 105 G N 0.576 109.555 108.800 0.299 0.000 2.608 105 G HA2 0.503 4.463 3.960 -0.000 0.000 0.285 105 G HA3 0.503 4.463 3.960 -0.000 0.000 0.285 105 G C -1.520 173.404 174.900 0.041 0.000 1.407 105 G CA -0.528 44.715 45.100 0.239 0.000 1.276 105 G HN 0.769 nan 8.290 nan 0.000 0.587 106 I N 4.276 124.751 120.570 -0.158 0.000 2.390 106 I HA 0.588 4.758 4.170 -0.000 0.000 0.283 106 I C -0.819 175.194 176.117 -0.173 0.000 1.016 106 I CA -1.234 60.012 61.300 -0.089 0.000 1.151 106 I CB 0.716 38.678 38.000 -0.064 0.000 1.293 106 I HN 0.344 nan 8.210 nan 0.000 0.458 107 I N 7.912 128.440 120.570 -0.070 0.000 2.530 107 I HA 0.504 4.674 4.170 -0.000 0.000 0.297 107 I C -0.376 175.734 176.117 -0.011 0.000 1.011 107 I CA -0.998 60.266 61.300 -0.061 0.000 1.107 107 I CB 2.092 40.109 38.000 0.029 0.000 1.285 107 I HN 0.335 nan 8.210 nan 0.000 0.436 108 V N 1.970 121.867 119.914 -0.028 0.000 2.588 108 V HA 0.901 5.021 4.120 -0.000 0.000 0.304 108 V C -0.259 175.793 176.094 -0.071 0.000 1.042 108 V CA -0.676 61.615 62.300 -0.014 0.000 0.877 108 V CB 1.524 33.359 31.823 0.021 0.000 0.996 108 V HN 0.815 nan 8.190 nan 0.000 0.425 109 A N 6.328 129.057 122.820 -0.152 0.000 2.256 109 A HA 0.824 5.144 4.320 -0.000 0.000 0.317 109 A C -0.459 177.062 177.584 -0.105 0.000 1.318 109 A CA -0.544 51.293 52.037 -0.334 0.000 0.894 109 A CB 0.318 18.705 19.000 -1.021 0.000 1.165 109 A HN 0.755 nan 8.150 nan 0.000 0.525 110 I N 2.295 122.892 120.570 0.046 0.000 2.321 110 I HA 0.309 4.479 4.170 -0.000 0.000 0.291 110 I C 0.110 176.460 176.117 0.389 0.000 0.998 110 I CA -0.105 61.357 61.300 0.271 0.000 1.227 110 I CB 0.790 39.038 38.000 0.414 0.000 1.368 110 I HN 0.665 nan 8.210 nan 0.000 0.466 111 E N 5.746 126.190 120.200 0.406 0.000 2.155 111 E HA 0.353 4.703 4.350 -0.000 0.000 0.264 111 E C -0.300 176.509 176.600 0.350 0.000 0.886 111 E CA -0.774 55.862 56.400 0.395 0.000 0.752 111 E CB 2.473 32.344 29.700 0.284 0.000 1.133 111 E HN 0.381 nan 8.360 nan 0.000 0.414 112 R N 4.234 124.943 120.500 0.349 0.000 2.340 112 R HA 0.264 4.604 4.340 -0.000 0.000 0.300 112 R C -0.616 175.552 176.300 -0.220 0.000 1.069 112 R CA -0.379 55.576 56.100 -0.242 0.000 0.984 112 R CB 0.518 30.491 30.300 -0.545 0.000 1.003 112 R HN 0.493 nan 8.270 nan 0.000 0.459 113 L N 3.139 124.153 121.223 -0.348 0.000 2.305 113 L HA 0.136 4.476 4.340 -0.000 0.000 0.281 113 L C 1.200 177.925 176.870 -0.241 0.000 1.085 113 L CA -0.075 54.635 54.840 -0.217 0.000 0.813 113 L CB 1.747 43.688 42.059 -0.197 0.000 1.157 113 L HN 0.742 nan 8.230 nan 0.000 0.436 114 S N 1.894 117.507 115.700 -0.145 0.000 2.535 114 S HA 0.365 4.835 4.470 -0.000 0.000 0.214 114 S C 0.268 174.808 174.600 -0.101 0.000 0.980 114 S CA 0.247 58.373 58.200 -0.124 0.000 0.907 114 S CB 0.210 63.373 63.200 -0.061 0.000 0.790 114 S HN 0.735 nan 8.310 nan 0.000 0.510 115 A N 1.962 124.722 122.820 -0.099 0.000 2.574 115 A HA 0.725 5.045 4.320 -0.000 0.000 0.297 115 A C -3.003 174.523 177.584 -0.096 0.000 1.062 115 A CA -1.575 50.411 52.037 -0.084 0.000 0.686 115 A CB 0.973 19.939 19.000 -0.058 0.000 1.285 115 A HN 0.255 nan 8.150 nan 0.000 0.403 116 P HA 0.377 nan 4.420 nan 0.000 0.271 116 P C -0.324 176.918 177.300 -0.096 0.000 1.233 116 P CA 0.135 63.170 63.100 -0.109 0.000 0.789 116 P CB 0.814 32.454 31.700 -0.100 0.000 0.951 117 V N -1.520 118.326 119.914 -0.112 0.000 2.925 117 V HA 0.523 4.643 4.120 -0.000 0.000 0.311 117 V C -0.586 175.441 176.094 -0.112 0.000 1.104 117 V CA -1.023 61.220 62.300 -0.095 0.000 0.954 117 V CB 1.904 33.677 31.823 -0.083 0.000 1.022 117 V HN 0.232 nan 8.190 nan 0.000 0.427 118 V N 3.656 123.517 119.914 -0.089 0.000 2.394 118 V HA 0.696 4.816 4.120 -0.000 0.000 0.282 118 V C -0.112 175.931 176.094 -0.084 0.000 1.031 118 V CA -0.083 62.163 62.300 -0.090 0.000 0.881 118 V CB 1.137 32.919 31.823 -0.069 0.000 0.982 118 V HN 1.053 nan 8.190 nan 0.000 0.451 119 E N 2.782 122.926 120.200 -0.093 0.000 2.446 119 E HA 0.460 4.810 4.350 -0.000 0.000 0.276 119 E C -1.342 175.214 176.600 -0.074 0.000 0.969 119 E CA -0.968 55.382 56.400 -0.083 0.000 0.800 119 E CB 2.113 31.765 29.700 -0.081 0.000 1.341 119 E HN 0.515 nan 8.360 nan 0.000 0.460 120 N N 0.812 119.462 118.700 -0.083 0.000 2.438 120 N HA 0.398 5.138 4.740 -0.000 0.000 0.282 120 N C -0.422 175.043 175.510 -0.076 0.000 1.037 120 N CA -0.235 52.770 53.050 -0.076 0.000 0.942 120 N CB 1.880 40.307 38.487 -0.101 0.000 1.136 120 N HN 0.294 nan 8.380 nan 0.000 0.481 121 V N -0.938 118.967 119.914 -0.015 0.000 3.007 121 V HA 0.631 4.752 4.120 -0.000 0.000 0.311 121 V C -0.511 175.623 176.094 0.067 0.000 1.120 121 V CA -0.846 61.475 62.300 0.036 0.000 0.980 121 V CB 1.982 33.899 31.823 0.157 0.000 1.033 121 V HN 0.196 nan 8.190 nan 0.000 0.429 122 V N 4.475 124.448 119.914 0.098 0.000 2.266 122 V HA 0.782 4.902 4.120 -0.000 0.000 0.271 122 V C 1.163 177.327 176.094 0.118 0.000 1.032 122 V CA 0.832 63.207 62.300 0.126 0.000 0.806 122 V CB -0.169 31.777 31.823 0.205 0.000 1.052 122 V HN 1.914 nan 8.190 nan 0.000 0.449 123 G N 5.501 114.364 108.800 0.104 0.000 2.556 123 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.283 123 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.283 123 G C 0.748 175.687 174.900 0.065 0.000 1.177 123 G CA 0.290 45.447 45.100 0.094 0.000 0.978 123 G HN 0.505 nan 8.290 nan 0.000 0.554 124 R N 1.869 122.375 120.500 0.010 0.000 2.310 124 R HA 0.191 4.531 4.340 -0.000 0.000 0.202 124 R C 1.201 177.562 176.300 0.102 0.000 0.933 124 R CA 0.798 56.779 56.100 -0.198 0.000 1.054 124 R CB -0.315 29.829 30.300 -0.260 0.000 0.985 124 R HN 0.733 nan 8.270 nan 0.000 0.489 125 E N 1.439 121.735 120.200 0.160 0.000 2.259 125 E HA 0.112 4.462 4.350 -0.000 0.000 0.281 125 E C -0.400 176.157 176.600 -0.071 0.000 1.037 125 E CA -0.425 55.914 56.400 -0.103 0.000 0.854 125 E CB 0.641 30.270 29.700 -0.118 0.000 1.051 125 E HN -0.131 nan 8.360 nan 0.000 0.409 126 I N 5.019 125.497 120.570 -0.153 0.000 2.395 126 I HA 0.106 4.276 4.170 -0.000 0.000 0.289 126 I C 0.019 175.953 176.117 -0.306 0.000 1.023 126 I CA -0.545 60.681 61.300 -0.124 0.000 1.350 126 I CB 1.055 39.020 38.000 -0.059 0.000 1.409 126 I HN 0.370 nan 8.210 nan 0.000 0.507 127 V N 8.804 128.461 119.914 -0.429 0.000 2.461 127 V HA 0.208 4.328 4.120 -0.000 0.000 0.275 127 V C -1.723 174.089 176.094 -0.470 0.000 1.047 127 V CA -1.313 60.490 62.300 -0.828 0.000 0.955 127 V CB 0.954 32.282 31.823 -0.824 0.000 0.988 127 V HN 0.648 nan 8.190 nan 0.000 0.471 128 P HA 0.240 nan 4.420 nan 0.000 0.271 128 P C -0.418 176.788 177.300 -0.157 0.000 1.216 128 P CA -0.207 62.781 63.100 -0.186 0.000 0.776 128 P CB 1.034 32.677 31.700 -0.096 0.000 0.881 136 V N 7.621 127.003 119.914 -0.887 0.000 2.443 136 V HA 0.499 4.619 4.120 -0.000 0.000 0.293 136 V C -2.102 173.353 176.094 -1.065 0.000 1.021 136 V CA -1.613 60.256 62.300 -0.718 0.000 0.848 136 V CB 1.850 33.454 31.823 -0.366 0.000 0.998 136 V HN 0.592 nan 8.190 nan 0.000 0.424 137 P HA 0.044 nan 4.420 nan 0.000 0.269 137 P C 0.811 177.931 177.300 -0.300 0.000 1.209 137 P CA -0.203 62.588 63.100 -0.514 0.000 0.776 137 P CB 1.383 33.007 31.700 -0.127 0.000 0.876 138 L N 2.665 123.785 121.223 -0.171 0.000 2.042 138 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 138 L C 2.395 179.182 176.870 -0.138 0.000 1.076 138 L CA 2.123 56.897 54.840 -0.111 0.000 0.749 138 L CB -1.377 40.699 42.059 0.028 0.000 0.893 138 L HN 0.382 nan 8.230 nan 0.000 0.432 139 E N -0.281 119.849 120.200 -0.116 0.000 2.118 139 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 139 E C 2.109 178.609 176.600 -0.166 0.000 0.992 139 E CA 1.469 57.768 56.400 -0.168 0.000 0.804 139 E CB -0.107 29.525 29.700 -0.113 0.000 0.741 139 E HN 0.358 nan 8.360 nan 0.000 0.458 140 K N -0.107 120.207 120.400 -0.144 0.000 2.032 140 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 140 K C 2.044 178.557 176.600 -0.145 0.000 1.048 140 K CA 1.052 57.259 56.287 -0.134 0.000 0.927 140 K CB -0.414 32.000 32.500 -0.144 0.000 0.712 140 K HN 0.237 nan 8.250 nan 0.000 0.441 141 L N 1.048 122.172 121.223 -0.165 0.000 2.042 141 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 141 L C 2.451 179.225 176.870 -0.161 0.000 1.076 141 L CA 1.516 56.259 54.840 -0.162 0.000 0.749 141 L CB -1.153 40.806 42.059 -0.166 0.000 0.893 141 L HN 0.167 nan 8.230 nan 0.000 0.432 142 I N -0.572 119.888 120.570 -0.184 0.000 2.179 142 I HA -0.329 3.841 4.170 -0.000 0.000 0.242 142 I C 2.687 178.701 176.117 -0.171 0.000 1.088 142 I CA 1.163 62.342 61.300 -0.203 0.000 1.357 142 I CB -0.326 37.473 38.000 -0.334 0.000 1.051 142 I HN 0.361 nan 8.210 nan 0.000 0.409 143 Q N 0.503 120.203 119.800 -0.167 0.000 2.124 143 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 143 Q C 2.108 178.066 176.000 -0.070 0.000 0.977 143 Q CA 1.436 57.176 55.803 -0.104 0.000 0.850 143 Q CB -0.117 28.571 28.738 -0.084 0.000 0.901 143 Q HN 0.578 nan 8.270 nan 0.000 0.429 144 E N 0.650 120.799 120.200 -0.085 0.000 2.047 144 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 144 E C 2.009 178.570 176.600 -0.066 0.000 0.987 144 E CA 0.640 56.997 56.400 -0.072 0.000 0.799 144 E CB -0.004 29.643 29.700 -0.088 0.000 0.752 144 E HN 0.266 nan 8.360 nan 0.000 0.449 145 E N 1.203 121.350 120.200 -0.088 0.000 2.110 145 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 145 E C 1.725 178.316 176.600 -0.015 0.000 0.988 145 E CA 1.090 57.447 56.400 -0.073 0.000 0.804 145 E CB 0.116 29.748 29.700 -0.113 0.000 0.745 145 E HN 0.327 nan 8.360 nan 0.000 0.458 146 E N 0.120 120.312 120.200 -0.014 0.000 2.150 146 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 146 E C 1.979 178.595 176.600 0.026 0.000 0.985 146 E CA 0.991 57.405 56.400 0.024 0.000 0.814 146 E CB -0.012 29.707 29.700 0.032 0.000 0.752 146 E HN 0.101 nan 8.360 nan 0.000 0.466 147 E N 1.385 121.590 120.200 0.007 0.000 2.072 147 E HA -0.035 4.315 4.350 -0.000 0.000 0.190 147 E C 0.442 177.045 176.600 0.006 0.000 0.982 147 E CA 0.922 57.327 56.400 0.008 0.000 0.803 147 E CB -0.046 29.651 29.700 -0.004 0.000 0.755 147 E HN 0.190 nan 8.360 nan 0.000 0.453 155 G N 0.754 109.546 108.800 -0.012 0.000 2.683 155 G HA2 0.606 4.566 3.960 -0.000 0.000 0.299 155 G HA3 0.606 4.566 3.960 -0.000 0.000 0.299 155 G C 0.040 174.889 174.900 -0.086 0.000 1.432 155 G CA -0.688 44.404 45.100 -0.014 0.000 0.978 155 G HN 0.382 nan 8.290 nan 0.000 0.513 156 R N 0.670 121.055 120.500 -0.193 0.000 2.297 156 R HA 0.127 4.467 4.340 -0.000 0.000 0.197 156 R C -0.472 175.428 176.300 -0.668 0.000 0.943 156 R CA 0.561 56.396 56.100 -0.441 0.000 1.038 156 R CB 0.193 30.138 30.300 -0.591 0.000 0.957 156 R HN 0.565 nan 8.270 nan 0.000 0.484 157 Y N 0.399 120.689 120.300 -0.018 0.000 2.409 157 Y HA 0.375 4.925 4.550 -0.000 0.000 0.343 157 Y C -2.030 173.845 175.900 -0.041 0.000 0.973 157 Y CA -3.646 54.428 58.100 -0.043 0.000 1.064 157 Y CB 0.683 39.098 38.460 -0.075 0.000 1.207 157 Y HN -0.151 nan 8.280 nan 0.000 0.452 158 P HA 0.206 nan 4.420 nan 0.000 0.269 158 P C -0.418 176.905 177.300 0.040 0.000 1.215 158 P CA -0.506 62.618 63.100 0.040 0.000 0.780 158 P CB 0.653 32.368 31.700 0.026 0.000 0.898 159 R N 0.511 121.025 120.500 0.023 0.000 2.756 159 R HA 0.137 4.477 4.340 -0.000 0.000 0.264 159 R C -0.345 175.962 176.300 0.012 0.000 1.026 159 R CA -0.506 55.603 56.100 0.015 0.000 1.121 159 R CB 0.037 30.343 30.300 0.010 0.000 0.999 159 R HN 0.255 nan 8.270 nan 0.000 0.449 160 V N 4.868 124.782 119.914 0.001 0.000 2.540 160 V HA 0.028 4.148 4.120 -0.000 0.000 0.297 160 V C -1.627 174.476 176.094 0.016 0.000 1.024 160 V CA -0.954 61.346 62.300 0.001 0.000 1.105 160 V CB 0.248 32.061 31.823 -0.017 0.000 0.938 160 V HN 0.690 nan 8.190 nan 0.000 0.482 161 P HA 0.180 nan 4.420 nan 0.000 0.272 161 P C -0.552 176.772 177.300 0.041 0.000 1.240 161 P CA -0.399 62.724 63.100 0.038 0.000 0.791 161 P CB 0.425 32.156 31.700 0.051 0.000 0.978 162 D N -0.200 120.223 120.400 0.038 0.000 2.313 162 D HA 0.110 4.750 4.640 -0.000 0.000 0.247 162 D C -0.089 176.240 176.300 0.048 0.000 1.094 162 D CA -0.333 53.690 54.000 0.038 0.000 0.925 162 D CB 1.075 41.892 40.800 0.028 0.000 1.188 162 D HN 0.028 nan 8.370 nan 0.000 0.430 163 V N 1.334 121.279 119.914 0.052 0.000 2.655 163 V HA 0.026 4.146 4.120 -0.000 0.000 0.300 163 V C -0.092 176.020 176.094 0.031 0.000 1.044 163 V CA 0.711 63.041 62.300 0.050 0.000 1.095 163 V CB 0.839 32.691 31.823 0.048 0.000 0.952 163 V HN 0.518 nan 8.190 nan 0.000 0.485 164 Q N 4.238 124.055 119.800 0.028 0.000 2.456 164 Q HA 0.458 4.798 4.340 -0.000 0.000 0.283 164 Q C -1.370 174.632 176.000 0.004 0.000 1.084 164 Q CA -0.852 54.962 55.803 0.018 0.000 0.801 164 Q CB 2.260 31.016 28.738 0.030 0.000 1.434 164 Q HN 0.810 nan 8.270 nan 0.000 0.419 165 Q N 2.130 121.926 119.800 -0.007 0.000 2.322 165 Q HA 0.352 4.692 4.340 -0.000 0.000 0.256 165 Q C -1.182 174.800 176.000 -0.029 0.000 0.960 165 Q CA -0.244 55.545 55.803 -0.024 0.000 0.934 165 Q CB 1.541 30.262 28.738 -0.027 0.000 1.200 165 Q HN 0.198 nan 8.270 nan 0.000 0.435 166 K N 1.076 121.447 120.400 -0.049 0.000 2.385 166 K HA 0.440 4.760 4.320 -0.000 0.000 0.248 166 K C -1.209 175.312 176.600 -0.131 0.000 0.955 166 K CA -0.603 55.637 56.287 -0.078 0.000 0.816 166 K CB 1.673 34.130 32.500 -0.073 0.000 1.250 166 K HN 0.532 nan 8.250 nan 0.000 0.434 167 T N 1.381 115.850 114.554 -0.141 0.000 2.770 167 T HA 0.522 4.872 4.350 -0.000 0.000 0.297 167 T C 0.305 174.868 174.700 -0.227 0.000 0.997 167 T CA -0.656 61.352 62.100 -0.154 0.000 0.949 167 T CB -0.132 68.673 68.868 -0.106 0.000 0.941 167 T HN 0.419 nan 8.240 nan 0.000 0.457 168 I N 6.239 126.630 120.570 -0.297 0.000 2.396 168 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 168 I C -1.776 174.199 176.117 -0.237 0.000 1.056 168 I CA -2.430 58.636 61.300 -0.391 0.000 1.365 168 I CB 0.869 38.577 38.000 -0.486 0.000 1.407 168 I HN 0.394 nan 8.210 nan 0.000 0.509 169 P HA 0.071 nan 4.420 nan 0.000 0.269 169 P C -0.350 176.853 177.300 -0.161 0.000 1.209 169 P CA -0.307 62.707 63.100 -0.143 0.000 0.776 169 P CB 0.774 32.410 31.700 -0.106 0.000 0.876 170 A N 2.259 124.991 122.820 -0.147 0.000 2.507 170 A HA 0.406 4.726 4.320 -0.000 0.000 0.235 170 A C 1.535 178.988 177.584 -0.219 0.000 1.070 170 A CA 0.868 52.798 52.037 -0.178 0.000 0.768 170 A CB -1.328 17.590 19.000 -0.137 0.000 1.011 170 A HN 0.889 nan 8.150 nan 0.000 0.502 171 G N 0.472 109.069 108.800 -0.339 0.000 2.217 171 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.246 171 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.246 171 G C 0.618 175.177 174.900 -0.568 0.000 0.990 171 G CA 0.478 45.327 45.100 -0.419 0.000 0.627 171 G HN 1.184 nan 8.290 nan 0.000 0.522 172 S N -0.233 115.199 115.700 -0.448 0.000 2.655 172 S HA 0.784 5.254 4.470 -0.000 0.000 0.265 172 S C -0.374 173.855 174.600 -0.618 0.000 1.240 172 S CA -0.027 57.970 58.200 -0.338 0.000 0.986 172 S CB 0.698 63.810 63.200 -0.147 0.000 0.985 172 S HN 0.341 nan 8.310 nan 0.000 0.562 173 F N 0.519 120.384 119.950 -0.141 0.000 2.540 173 F HA 0.468 4.995 4.527 0.000 0.000 0.317 173 F C -0.241 175.568 175.800 0.015 0.000 1.104 173 F CA -0.838 57.114 58.000 -0.080 0.000 0.913 173 F CB 0.927 39.824 39.000 -0.172 0.000 1.170 173 F HN 0.185 nan 8.300 nan 0.000 0.450 174 L N 3.933 125.287 121.223 0.219 0.000 2.305 174 L HA 0.563 4.903 4.340 -0.000 0.000 0.281 174 L C -0.707 176.305 176.870 0.237 0.000 1.085 174 L CA -0.810 54.155 54.840 0.210 0.000 0.813 174 L CB 1.200 43.362 42.059 0.171 0.000 1.157 174 L HN 0.335 nan 8.230 nan 0.000 0.436 175 V N 2.247 122.302 119.914 0.235 0.000 2.407 175 V HA 0.294 4.414 4.120 -0.000 0.000 0.291 175 V C 0.014 176.258 176.094 0.250 0.000 1.018 175 V CA -0.505 61.925 62.300 0.217 0.000 0.842 175 V CB 1.798 33.733 31.823 0.187 0.000 0.996 175 V HN 0.728 nan 8.190 nan 0.000 0.426 176 T N 4.641 119.290 114.554 0.159 0.000 2.743 176 T HA 0.598 4.948 4.350 -0.000 0.000 0.292 176 T C 0.238 175.033 174.700 0.159 0.000 0.972 176 T CA -0.173 62.028 62.100 0.168 0.000 0.967 176 T CB 1.288 70.216 68.868 0.099 0.000 0.926 176 T HN 0.852 nan 8.240 nan 0.000 0.459 177 A N 4.886 127.863 122.820 0.261 0.000 2.260 177 A HA 0.606 4.926 4.320 -0.000 0.000 0.312 177 A C -0.092 177.608 177.584 0.193 0.000 1.321 177 A CA -0.664 51.499 52.037 0.209 0.000 0.928 177 A CB -0.058 19.098 19.000 0.260 0.000 1.158 177 A HN 0.707 nan 8.150 nan 0.000 0.542 178 I N 3.107 123.764 120.570 0.145 0.000 2.330 178 I HA 0.246 4.416 4.170 -0.000 0.000 0.286 178 I C -0.080 176.132 176.117 0.160 0.000 1.025 178 I CA -0.434 60.968 61.300 0.171 0.000 1.197 178 I CB 0.437 38.536 38.000 0.166 0.000 1.358 178 I HN 0.698 nan 8.210 nan 0.000 0.467 179 N N 7.037 125.846 118.700 0.182 0.000 2.362 179 N HA 0.650 5.390 4.740 -0.000 0.000 0.298 179 N C -1.135 174.533 175.510 0.263 0.000 1.048 179 N CA -0.395 52.756 53.050 0.169 0.000 0.858 179 N CB 1.706 40.252 38.487 0.099 0.000 1.218 179 N HN 0.458 nan 8.380 nan 0.000 0.488 180 I N 3.273 123.978 120.570 0.224 0.000 2.560 180 I HA 0.545 4.715 4.170 -0.000 0.000 0.278 180 I C 0.456 176.701 176.117 0.214 0.000 1.089 180 I CA -0.375 61.041 61.300 0.192 0.000 1.086 180 I CB 0.964 38.920 38.000 -0.072 0.000 1.202 180 I HN 0.822 nan 8.210 nan 0.000 0.471 181 G N 5.203 114.242 108.800 0.400 0.000 2.295 181 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.195 181 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.195 181 G C -0.650 174.327 174.900 0.127 0.000 1.269 181 G CA 0.141 45.368 45.100 0.213 0.000 1.170 181 G HN 0.624 nan 8.290 nan 0.000 0.511 182 D N -0.135 120.300 120.400 0.059 0.000 2.535 182 D HA 0.409 5.049 4.640 -0.000 0.000 0.229 182 D C 0.745 177.015 176.300 -0.050 0.000 1.238 182 D CA 0.542 54.536 54.000 -0.009 0.000 0.824 182 D CB 0.229 41.018 40.800 -0.018 0.000 1.045 182 D HN 0.429 nan 8.370 nan 0.000 0.500 183 S N 0.122 115.811 115.700 -0.017 0.000 2.632 183 S HA 0.585 5.055 4.470 -0.000 0.000 0.267 183 S C 0.282 174.821 174.600 -0.102 0.000 1.276 183 S CA -0.500 57.677 58.200 -0.039 0.000 0.998 183 S CB 1.290 64.486 63.200 -0.006 0.000 0.953 183 S HN 0.180 nan 8.310 nan 0.000 0.547 184 R N -0.109 120.304 120.500 -0.145 0.000 2.808 184 R HA 0.764 5.104 4.340 -0.000 0.000 0.272 184 R C -1.402 174.867 176.300 -0.053 0.000 0.995 184 R CA -0.816 55.168 56.100 -0.193 0.000 0.917 184 R CB 1.913 31.774 30.300 -0.732 0.000 1.217 184 R HN 0.631 nan 8.270 nan 0.000 0.471 185 A N 0.965 123.818 122.820 0.055 0.000 2.359 185 A HA 0.678 4.998 4.320 -0.000 0.000 0.303 185 A C -1.013 176.669 177.584 0.164 0.000 1.066 185 A CA -0.561 51.521 52.037 0.075 0.000 0.730 185 A CB 1.840 20.856 19.000 0.027 0.000 1.211 185 A HN 0.533 nan 8.150 nan 0.000 0.439 186 T N 2.423 117.065 114.554 0.147 0.000 2.893 186 T HA 0.557 4.907 4.350 -0.000 0.000 0.293 186 T C -0.748 173.994 174.700 0.069 0.000 1.027 186 T CA -0.335 61.863 62.100 0.162 0.000 0.988 186 T CB 1.190 70.230 68.868 0.286 0.000 1.043 186 T HN 0.495 nan 8.240 nan 0.000 0.461 187 L N 3.649 124.885 121.223 0.021 0.000 2.280 187 L HA 0.494 4.834 4.340 -0.000 0.000 0.287 187 L C -0.698 176.252 176.870 0.132 0.000 1.023 187 L CA -0.962 53.913 54.840 0.059 0.000 0.819 187 L CB 0.855 42.913 42.059 -0.001 0.000 1.212 187 L HN 0.448 nan 8.230 nan 0.000 0.420 188 I N 3.664 124.315 120.570 0.136 0.000 2.304 188 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 188 I C 0.667 176.909 176.117 0.208 0.000 1.018 188 I CA -0.369 61.000 61.300 0.115 0.000 1.260 188 I CB 0.560 38.601 38.000 0.068 0.000 1.390 188 I HN 0.551 nan 8.210 nan 0.000 0.475 189 H N 3.390 122.464 119.070 0.005 0.000 2.671 189 H HA 0.062 4.618 4.556 -0.000 0.000 0.372 189 H C 1.268 176.607 175.328 0.017 0.000 1.227 189 H CA -0.153 55.898 56.048 0.005 0.000 1.426 189 H CB 1.040 30.800 29.762 -0.003 0.000 1.480 189 H HN 0.651 nan 8.280 nan 0.000 0.611 190 S N 0.361 116.155 115.700 0.156 0.000 2.419 190 S HA -0.196 4.274 4.470 -0.000 0.000 0.233 190 S C 1.176 175.826 174.600 0.083 0.000 1.016 190 S CA 1.366 59.624 58.200 0.096 0.000 0.974 190 S CB -0.253 62.991 63.200 0.073 0.000 0.786 190 S HN 0.799 nan 8.310 nan 0.000 0.492 191 D N 0.118 120.580 120.400 0.103 0.000 2.319 191 D HA 0.336 4.976 4.640 -0.000 0.000 0.230 191 D C 1.374 177.698 176.300 0.040 0.000 1.094 191 D CA 0.486 54.527 54.000 0.068 0.000 0.856 191 D CB -0.434 40.411 40.800 0.075 0.000 0.915 191 D HN 0.542 nan 8.370 nan 0.000 0.517 192 G N -0.872 107.949 108.800 0.034 0.000 2.268 192 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.240 192 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.240 192 G C 0.770 175.627 174.900 -0.072 0.000 1.010 192 G CA -0.004 45.090 45.100 -0.010 0.000 0.618 192 G HN 0.811 nan 8.290 nan 0.000 0.516 193 G N -0.030 108.695 108.800 -0.124 0.000 2.664 193 G HA2 0.635 4.595 3.960 -0.000 0.000 0.242 193 G HA3 0.635 4.595 3.960 -0.000 0.000 0.242 193 G C -0.049 174.484 174.900 -0.611 0.000 1.225 193 G CA 0.627 45.530 45.100 -0.328 0.000 0.849 193 G HN 1.620 nan 8.290 nan 0.000 0.581 194 L N -2.151 118.751 121.223 -0.533 0.000 2.393 194 L HA 0.872 5.212 4.340 -0.000 0.000 0.260 194 L C -0.356 176.353 176.870 -0.269 0.000 1.002 194 L CA -0.836 53.785 54.840 -0.365 0.000 0.818 194 L CB 1.966 43.985 42.059 -0.068 0.000 1.369 194 L HN 0.340 nan 8.230 nan 0.000 0.412 195 T N 1.155 115.640 114.554 -0.115 0.000 2.809 195 T HA 0.532 4.882 4.350 -0.000 0.000 0.284 195 T C -0.395 174.163 174.700 -0.237 0.000 0.992 195 T CA -0.500 61.536 62.100 -0.105 0.000 0.957 195 T CB 1.079 69.945 68.868 -0.004 0.000 0.942 195 T HN 0.578 nan 8.240 nan 0.000 0.439 196 R N 3.289 123.561 120.500 -0.380 0.000 2.210 196 R HA 0.310 4.650 4.340 -0.000 0.000 0.338 196 R C 0.963 176.989 176.300 -0.457 0.000 1.062 196 R CA -0.337 55.403 56.100 -0.601 0.000 0.902 196 R CB 0.586 30.169 30.300 -1.194 0.000 1.050 196 R HN 0.603 nan 8.270 nan 0.000 0.461 197 L N 0.920 121.920 121.223 -0.371 0.000 2.418 197 L HA 0.014 4.354 4.340 -0.000 0.000 0.218 197 L C 0.742 177.598 176.870 -0.023 0.000 1.125 197 L CA 0.534 55.112 54.840 -0.438 0.000 0.835 197 L CB -0.312 41.511 42.059 -0.393 0.000 0.953 197 L HN 0.588 nan 8.230 nan 0.000 0.454 198 S N -0.693 115.034 115.700 0.046 0.000 2.651 198 S HA 0.567 5.037 4.470 -0.000 0.000 0.279 198 S C -0.859 173.794 174.600 0.089 0.000 1.148 198 S CA -0.895 57.364 58.200 0.098 0.000 0.837 198 S CB 2.922 66.191 63.200 0.114 0.000 1.138 198 S HN 0.099 nan 8.310 nan 0.000 0.478 199 K N 0.610 121.016 120.400 0.009 0.000 2.507 199 K HA 0.404 4.724 4.320 -0.000 0.000 0.251 199 K C -1.633 174.905 176.600 -0.102 0.000 0.943 199 K CA -0.452 55.828 56.287 -0.011 0.000 0.794 199 K CB 1.153 33.608 32.500 -0.076 0.000 1.188 199 K HN 0.630 nan 8.250 nan 0.000 0.428 200 D N 2.845 123.238 120.400 -0.010 0.000 2.525 200 D HA -0.052 4.588 4.640 -0.000 0.000 0.235 200 D C -0.376 175.897 176.300 -0.044 0.000 1.137 200 D CA 0.645 54.619 54.000 -0.043 0.000 0.868 200 D CB 0.355 41.164 40.800 0.015 0.000 1.180 200 D HN 0.357 nan 8.370 nan 0.000 0.465 201 H N 3.157 122.261 119.070 0.056 0.000 2.846 201 H HA 0.193 4.749 4.556 -0.000 0.000 0.278 201 H C 0.087 175.395 175.328 -0.034 0.000 1.117 201 H CA -0.145 55.931 56.048 0.048 0.000 1.406 201 H CB 0.423 30.200 29.762 0.024 0.000 1.445 201 H HN -0.016 nan 8.280 nan 0.000 0.469 202 K N 4.561 124.950 120.400 -0.019 0.000 2.244 202 K HA 0.247 4.567 4.320 -0.000 0.000 0.260 202 K C -1.853 174.617 176.600 -0.217 0.000 0.951 202 K CA -2.365 53.760 56.287 -0.269 0.000 0.826 202 K CB 1.910 34.004 32.500 -0.676 0.000 1.108 202 K HN 0.222 nan 8.250 nan 0.000 0.433 203 P HA -0.199 nan 4.420 nan 0.000 0.216 203 P C 0.763 178.035 177.300 -0.046 0.000 1.150 203 P CA 1.354 64.419 63.100 -0.059 0.000 0.843 203 P CB 0.243 31.917 31.700 -0.043 0.000 0.787 204 N N -1.345 117.297 118.700 -0.097 0.000 2.457 204 N HA -0.124 4.616 4.740 -0.000 0.000 0.180 204 N C 0.342 175.882 175.510 0.049 0.000 1.050 204 N CA 0.402 53.431 53.050 -0.035 0.000 0.906 204 N CB -1.210 37.252 38.487 -0.041 0.000 0.968 204 N HN 0.312 nan 8.380 nan 0.000 0.445 205 H N 1.481 120.564 119.070 0.022 0.000 2.897 205 H HA 0.049 4.605 4.556 0.000 0.000 0.347 205 H C -1.217 174.121 175.328 0.017 0.000 1.068 205 H CA -1.616 54.443 56.048 0.018 0.000 1.426 205 H CB 0.978 30.756 29.762 0.026 0.000 1.410 205 H HN 0.041 nan 8.280 nan 0.000 0.597 206 P HA -0.283 nan 4.420 nan 0.000 0.217 206 P C 1.703 179.039 177.300 0.061 0.000 1.162 206 P CA 2.558 65.698 63.100 0.067 0.000 0.901 206 P CB -0.020 31.699 31.700 0.031 0.000 0.793 207 T N -3.003 111.591 114.554 0.065 0.000 2.788 207 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 207 T C 1.631 176.366 174.700 0.059 0.000 1.044 207 T CA 1.149 63.281 62.100 0.053 0.000 1.139 207 T CB -0.734 68.165 68.868 0.051 0.000 0.867 207 T HN 0.063 nan 8.240 nan 0.000 0.454 208 E N 1.853 122.103 120.200 0.083 0.000 2.033 208 E HA 0.152 4.502 4.350 -0.000 0.000 0.189 208 E C 2.751 179.377 176.600 0.044 0.000 0.979 208 E CA 1.263 57.698 56.400 0.058 0.000 0.802 208 E CB -0.981 28.757 29.700 0.064 0.000 0.763 208 E HN 0.653 nan 8.360 nan 0.000 0.449 209 A N 1.258 124.107 122.820 0.049 0.000 1.978 209 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 209 A C 2.423 180.029 177.584 0.036 0.000 1.170 209 A CA 2.027 54.088 52.037 0.040 0.000 0.636 209 A CB -0.616 18.408 19.000 0.040 0.000 0.810 209 A HN 0.245 nan 8.150 nan 0.000 0.448 210 S N -0.715 115.007 115.700 0.036 0.000 2.356 210 S HA -0.208 4.262 4.470 -0.000 0.000 0.223 210 S C 2.243 176.860 174.600 0.028 0.000 1.032 210 S CA 1.539 59.756 58.200 0.029 0.000 1.005 210 S CB -0.374 62.842 63.200 0.026 0.000 0.867 210 S HN 0.643 nan 8.310 nan 0.000 0.449 211 R N 0.330 120.847 120.500 0.029 0.000 2.073 211 R HA -0.023 4.317 4.340 -0.000 0.000 0.234 211 R C 2.312 178.631 176.300 0.031 0.000 1.134 211 R CA 1.824 57.941 56.100 0.027 0.000 0.952 211 R CB -0.520 29.795 30.300 0.025 0.000 0.850 211 R HN 0.512 nan 8.270 nan 0.000 0.433 212 I N 0.731 121.323 120.570 0.037 0.000 2.151 212 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 212 I C 2.550 178.693 176.117 0.042 0.000 1.080 212 I CA 1.688 63.017 61.300 0.048 0.000 1.339 212 I CB -0.445 37.588 38.000 0.054 0.000 1.039 212 I HN 0.407 nan 8.210 nan 0.000 0.409 213 E N 1.281 121.503 120.200 0.035 0.000 2.038 213 E HA -0.310 4.040 4.350 -0.000 0.000 0.195 213 E C 2.207 178.821 176.600 0.024 0.000 1.000 213 E CA 1.569 57.986 56.400 0.029 0.000 0.803 213 E CB -0.037 29.679 29.700 0.025 0.000 0.750 213 E HN 0.283 nan 8.360 nan 0.000 0.448 214 K N -0.288 120.125 120.400 0.022 0.000 2.360 214 K HA -0.076 4.244 4.320 -0.000 0.000 0.201 214 K C 1.380 177.990 176.600 0.017 0.000 1.046 214 K CA 0.961 57.259 56.287 0.018 0.000 0.945 214 K CB 0.004 32.514 32.500 0.018 0.000 0.750 214 K HN 0.120 nan 8.250 nan 0.000 0.464 215 A N -0.052 122.781 122.820 0.022 0.000 2.307 215 A HA 0.258 4.578 4.320 -0.000 0.000 0.218 215 A C 1.173 178.765 177.584 0.014 0.000 1.228 215 A CA 0.542 52.590 52.037 0.019 0.000 0.857 215 A CB -0.194 18.823 19.000 0.029 0.000 0.897 215 A HN 0.482 nan 8.150 nan 0.000 0.495 216 G N -2.028 106.780 108.800 0.015 0.000 2.157 216 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.248 216 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.248 216 G C 0.685 175.593 174.900 0.014 0.000 0.979 216 G CA 0.346 45.452 45.100 0.009 0.000 0.650 216 G HN 1.348 nan 8.290 nan 0.000 0.529 217 G N -0.787 108.031 108.800 0.030 0.000 2.753 217 G HA2 0.954 4.914 3.960 -0.000 0.000 0.285 217 G HA3 0.954 4.914 3.960 -0.000 0.000 0.285 217 G C 0.076 175.008 174.900 0.053 0.000 1.344 217 G CA 0.582 45.711 45.100 0.048 0.000 1.050 217 G HN 1.742 nan 8.290 nan 0.000 0.532 218 S N -2.741 113.002 115.700 0.072 0.000 2.656 218 S HA 0.685 5.155 4.470 -0.000 0.000 0.273 218 S C -1.619 173.028 174.600 0.079 0.000 1.168 218 S CA -0.697 57.542 58.200 0.065 0.000 0.817 218 S CB 1.802 65.037 63.200 0.058 0.000 1.146 218 S HN 0.874 nan 8.310 nan 0.000 0.475 219 V N 1.361 121.313 119.914 0.062 0.000 2.483 219 V HA 0.754 4.874 4.120 -0.000 0.000 0.297 219 V C -0.914 175.212 176.094 0.053 0.000 1.027 219 V CA -0.327 62.010 62.300 0.061 0.000 0.855 219 V CB 1.467 33.312 31.823 0.036 0.000 0.995 219 V HN 0.901 nan 8.190 nan 0.000 0.424 220 E N 1.754 122.005 120.200 0.085 0.000 2.293 220 E HA 0.502 4.852 4.350 -0.000 0.000 0.270 220 E C -0.890 175.714 176.600 0.006 0.000 0.879 220 E CA -0.528 55.885 56.400 0.022 0.000 0.756 220 E CB 2.498 32.224 29.700 0.044 0.000 1.208 220 E HN 0.619 nan 8.360 nan 0.000 0.428 221 T N 4.148 118.616 114.554 -0.145 0.000 2.749 221 T HA 0.386 4.736 4.350 -0.000 0.000 0.295 221 T C 0.185 174.681 174.700 -0.341 0.000 0.936 221 T CA 0.049 62.072 62.100 -0.128 0.000 1.060 221 T CB 0.139 68.947 68.868 -0.099 0.000 0.904 221 T HN 0.278 nan 8.240 nan 0.000 0.500 222 F N 1.378 121.324 119.950 -0.005 0.000 2.123 222 F HA 0.209 4.737 4.527 0.000 0.000 0.207 222 F C 2.245 178.041 175.800 -0.006 0.000 1.198 222 F CA -0.377 57.621 58.000 -0.003 0.000 1.265 222 F CB -0.095 38.904 39.000 -0.002 0.000 1.722 222 F HN 0.502 nan 8.300 nan 0.000 0.351 223 D N 0.046 120.586 120.400 0.233 0.000 2.249 223 D HA 0.043 4.683 4.640 -0.000 0.000 0.205 223 D C 0.197 176.540 176.300 0.071 0.000 0.962 223 D CA 1.162 55.226 54.000 0.107 0.000 0.860 223 D CB 0.215 41.062 40.800 0.077 0.000 0.955 223 D HN 0.065 nan 8.370 nan 0.000 0.505 224 V N -0.049 119.919 119.914 0.090 0.000 3.178 224 V HA 0.284 4.404 4.120 -0.000 0.000 0.302 224 V C -2.697 173.436 176.094 0.064 0.000 1.262 224 V CA -1.919 60.409 62.300 0.047 0.000 1.030 224 V CB 2.450 34.283 31.823 0.018 0.000 1.074 224 V HN -0.207 nan 8.190 nan 0.000 0.438 225 P HA 0.317 nan 4.420 nan 0.000 0.264 225 P C -0.968 176.357 177.300 0.042 0.000 1.193 225 P CA 0.194 63.310 63.100 0.028 0.000 0.763 225 P CB 0.302 31.990 31.700 -0.019 0.000 0.810 226 R N 1.847 122.407 120.500 0.099 0.000 2.628 226 R HA 0.428 4.768 4.340 -0.000 0.000 0.288 226 R C -1.017 175.336 176.300 0.088 0.000 0.980 226 R CA -1.165 54.980 56.100 0.076 0.000 0.891 226 R CB 1.734 32.095 30.300 0.102 0.000 1.188 226 R HN 0.171 nan 8.270 nan 0.000 0.450 227 V N 3.932 123.870 119.914 0.040 0.000 2.485 227 V HA -0.047 4.073 4.120 -0.000 0.000 0.287 227 V C 0.218 176.432 176.094 0.200 0.000 1.022 227 V CA 0.578 62.936 62.300 0.097 0.000 1.067 227 V CB 0.470 32.321 31.823 0.045 0.000 0.967 227 V HN 0.858 nan 8.190 nan 0.000 0.479 228 D N 3.948 124.465 120.400 0.196 0.000 2.983 228 D HA -0.217 4.423 4.640 -0.000 0.000 0.225 228 D C 1.363 177.769 176.300 0.178 0.000 1.174 228 D CA 1.871 55.984 54.000 0.189 0.000 0.831 228 D CB -1.296 39.638 40.800 0.223 0.000 1.104 228 D HN 1.393 nan 8.370 nan 0.000 0.421 229 G N -2.419 106.500 108.800 0.199 0.000 2.155 229 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.257 229 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.257 229 G C 0.976 175.846 174.900 -0.050 0.000 0.983 229 G CA 0.730 45.934 45.100 0.173 0.000 0.676 229 G HN 0.571 nan 8.290 nan 0.000 0.528 230 V N -0.267 119.675 119.914 0.048 0.000 2.870 230 V HA 0.393 4.513 4.120 -0.000 0.000 0.232 230 V C 1.456 177.508 176.094 -0.071 0.000 1.161 230 V CA 0.863 63.171 62.300 0.013 0.000 1.204 230 V CB -0.080 31.863 31.823 0.200 0.000 1.003 230 V HN 0.260 nan 8.190 nan 0.000 0.499 231 L N 0.904 122.036 121.223 -0.151 0.000 2.305 231 L HA 0.493 4.833 4.340 -0.000 0.000 0.281 231 L C 1.435 178.191 176.870 -0.190 0.000 1.085 231 L CA 0.074 54.750 54.840 -0.274 0.000 0.813 231 L CB 1.234 42.980 42.059 -0.522 0.000 1.157 231 L HN 0.255 nan 8.230 nan 0.000 0.436 232 A N 5.000 127.698 122.820 -0.203 0.000 2.014 232 A HA 0.138 4.458 4.320 -0.000 0.000 0.218 232 A C 0.792 178.296 177.584 -0.134 0.000 1.163 232 A CA 0.841 52.793 52.037 -0.141 0.000 0.652 232 A CB -0.092 18.825 19.000 -0.139 0.000 0.808 232 A HN 0.579 nan 8.150 nan 0.000 0.449 233 L N -0.572 120.546 121.223 -0.176 0.000 2.334 233 L HA 0.320 4.660 4.340 -0.000 0.000 0.273 233 L C 1.199 178.001 176.870 -0.113 0.000 1.013 233 L CA -0.129 54.644 54.840 -0.111 0.000 0.816 233 L CB 2.151 44.163 42.059 -0.077 0.000 1.278 233 L HN 0.250 nan 8.230 nan 0.000 0.431 234 S N 0.225 115.883 115.700 -0.069 0.000 2.517 234 S HA 0.247 4.717 4.470 -0.000 0.000 0.214 234 S C 0.624 175.163 174.600 -0.102 0.000 0.991 234 S CA -0.339 57.817 58.200 -0.074 0.000 0.906 234 S CB 0.181 63.357 63.200 -0.040 0.000 0.789 234 S HN 0.552 nan 8.310 nan 0.000 0.513 235 R N 1.059 121.486 120.500 -0.123 0.000 2.534 235 R HA 0.842 5.182 4.340 -0.000 0.000 0.301 235 R C -1.033 175.194 176.300 -0.122 0.000 0.961 235 R CA -0.191 55.791 56.100 -0.197 0.000 0.871 235 R CB 2.101 32.131 30.300 -0.449 0.000 1.170 235 R HN 0.321 nan 8.270 nan 0.000 0.446 236 A N 2.358 125.079 122.820 -0.165 0.000 2.549 236 A HA 0.502 4.822 4.320 -0.000 0.000 0.291 236 A C -1.790 175.674 177.584 -0.199 0.000 1.034 236 A CA -0.837 51.128 52.037 -0.121 0.000 0.655 236 A CB 0.630 19.672 19.000 0.070 0.000 1.299 236 A HN 0.446 nan 8.150 nan 0.000 0.427 237 F N 1.243 121.218 119.950 0.041 0.000 2.371 237 F HA 0.593 5.120 4.527 0.000 0.000 0.329 237 F C 1.507 177.283 175.800 -0.040 0.000 1.107 237 F CA 1.427 59.426 58.000 -0.001 0.000 1.137 237 F CB 1.274 40.272 39.000 -0.004 0.000 1.214 237 F HN 1.757 nan 8.300 nan 0.000 0.536 238 G N 1.661 110.549 108.800 0.147 0.000 2.528 238 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.262 238 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.262 238 G C -0.264 174.663 174.900 0.045 0.000 1.200 238 G CA -0.137 44.990 45.100 0.045 0.000 0.951 238 G HN 0.814 nan 8.290 nan 0.000 0.566 239 D N -0.465 119.959 120.400 0.040 0.000 2.689 239 D HA -0.186 4.454 4.640 -0.000 0.000 0.237 239 D C 1.801 178.194 176.300 0.154 0.000 1.148 239 D CA 2.064 56.127 54.000 0.106 0.000 0.656 239 D CB -1.353 39.489 40.800 0.070 0.000 1.050 239 D HN 1.457 nan 8.370 nan 0.000 0.426 240 S N -1.107 114.646 115.700 0.089 0.000 2.400 240 S HA -0.213 4.257 4.470 -0.000 0.000 0.232 240 S C 1.412 176.038 174.600 0.043 0.000 1.025 240 S CA 1.109 59.337 58.200 0.047 0.000 0.993 240 S CB 0.208 63.402 63.200 -0.010 0.000 0.808 240 S HN 0.189 nan 8.310 nan 0.000 0.478 241 D N 0.850 121.293 120.400 0.071 0.000 2.309 241 D HA 0.022 4.662 4.640 -0.000 0.000 0.212 241 D C 0.655 176.869 176.300 -0.143 0.000 0.968 241 D CA 0.782 54.748 54.000 -0.056 0.000 0.882 241 D CB -0.337 40.422 40.800 -0.069 0.000 0.918 241 D HN 0.590 nan 8.370 nan 0.000 0.503 242 F N 0.191 120.129 119.950 -0.018 0.000 2.641 242 F HA 0.254 4.781 4.527 -0.000 0.000 0.302 242 F C 0.971 176.763 175.800 -0.013 0.000 1.098 242 F CA -0.118 57.877 58.000 -0.008 0.000 1.318 242 F CB 0.464 39.467 39.000 0.006 0.000 1.035 242 F HN -0.359 nan 8.300 nan 0.000 0.551 250 P HA -0.143 nan 4.420 nan 0.000 0.216 250 P C 0.726 178.034 177.300 0.013 0.000 1.150 250 P CA 1.224 64.332 63.100 0.012 0.000 0.837 250 P CB 0.298 32.005 31.700 0.012 0.000 0.786 251 E N -0.423 119.787 120.200 0.017 0.000 2.409 251 E HA -0.130 4.220 4.350 -0.000 0.000 0.198 251 E C 0.899 177.513 176.600 0.023 0.000 1.024 251 E CA 0.715 57.128 56.400 0.023 0.000 0.861 251 E CB -0.301 29.421 29.700 0.037 0.000 0.788 251 E HN 0.489 nan 8.360 nan 0.000 0.521 252 E N 0.286 120.498 120.200 0.021 0.000 2.624 252 E HA 0.062 4.412 4.350 -0.000 0.000 0.210 252 E C 0.021 176.634 176.600 0.022 0.000 0.997 252 E CA -0.224 56.189 56.400 0.022 0.000 0.999 252 E CB 0.534 30.247 29.700 0.021 0.000 1.040 252 E HN 0.112 nan 8.360 nan 0.000 0.469 253 Q N 0.846 120.659 119.800 0.023 0.000 2.471 253 Q HA 0.125 4.465 4.340 -0.000 0.000 0.223 253 Q C 1.081 177.108 176.000 0.046 0.000 1.045 253 Q CA 0.267 56.089 55.803 0.032 0.000 0.956 253 Q CB 0.767 29.527 28.738 0.036 0.000 1.249 253 Q HN 0.051 nan 8.270 nan 0.000 0.549 254 K N -0.285 120.159 120.400 0.075 0.000 2.044 254 K HA -0.084 4.236 4.320 -0.000 0.000 0.210 254 K C 0.415 177.066 176.600 0.085 0.000 1.049 254 K CA 1.018 57.368 56.287 0.105 0.000 0.927 254 K CB 0.060 32.677 32.500 0.196 0.000 0.713 254 K HN 0.220 nan 8.250 nan 0.000 0.443 255 V N 2.481 122.453 119.914 0.096 0.000 2.459 255 V HA 0.370 4.490 4.120 -0.000 0.000 0.295 255 V C -0.167 175.925 176.094 -0.002 0.000 1.029 255 V CA -0.849 61.465 62.300 0.025 0.000 0.874 255 V CB 1.414 33.248 31.823 0.017 0.000 0.985 255 V HN 0.189 nan 8.190 nan 0.000 0.438 256 I N 1.442 121.978 120.570 -0.058 0.000 2.934 256 I HA 0.898 5.068 4.170 -0.000 0.000 0.306 256 I C 0.323 176.346 176.117 -0.157 0.000 1.110 256 I CA -0.997 60.258 61.300 -0.075 0.000 1.019 256 I CB 2.515 40.483 38.000 -0.053 0.000 1.227 256 I HN 0.526 nan 8.210 nan 0.000 0.434 257 A N 3.510 126.228 122.820 -0.169 0.000 2.577 257 A HA 0.539 4.859 4.320 -0.000 0.000 0.280 257 A C 0.124 177.573 177.584 -0.226 0.000 1.331 257 A CA -0.241 51.592 52.037 -0.340 0.000 0.935 257 A CB -0.604 18.195 19.000 -0.335 0.000 1.082 257 A HN 0.444 nan 8.150 nan 0.000 0.525 258 V N 3.219 123.059 119.914 -0.125 0.000 2.455 258 V HA 0.241 4.361 4.120 -0.000 0.000 0.273 258 V C -1.837 174.266 176.094 0.015 0.000 1.045 258 V CA -1.249 61.039 62.300 -0.020 0.000 0.976 258 V CB 1.046 32.901 31.823 0.054 0.000 0.993 258 V HN 0.460 nan 8.190 nan 0.000 0.475 259 P HA 0.390 nan 4.420 nan 0.000 0.280 259 P C -1.164 176.361 177.300 0.376 0.000 1.272 259 P CA -0.686 62.540 63.100 0.210 0.000 0.819 259 P CB 1.354 33.174 31.700 0.200 0.000 1.122 260 D N -0.243 120.377 120.400 0.367 0.000 2.198 260 D HA 0.380 5.020 4.640 -0.000 0.000 0.245 260 D C -0.642 175.831 176.300 0.289 0.000 1.079 260 D CA -0.176 54.005 54.000 0.302 0.000 0.854 260 D CB 1.024 41.956 40.800 0.219 0.000 1.148 260 D HN -0.042 nan 8.370 nan 0.000 0.456 261 V N 4.349 124.448 119.914 0.308 0.000 2.444 261 V HA 0.493 4.613 4.120 -0.000 0.000 0.294 261 V C 0.048 176.262 176.094 0.200 0.000 1.022 261 V CA -0.753 61.725 62.300 0.296 0.000 0.850 261 V CB 1.449 33.520 31.823 0.412 0.000 0.992 261 V HN 0.331 nan 8.190 nan 0.000 0.426 262 R N 3.250 123.861 120.500 0.185 0.000 2.750 262 R HA 0.603 4.943 4.340 -0.000 0.000 0.281 262 R C -1.114 175.178 176.300 -0.014 0.000 0.972 262 R CA -0.828 55.307 56.100 0.059 0.000 0.912 262 R CB 2.469 32.828 30.300 0.100 0.000 1.187 262 R HN 0.596 nan 8.270 nan 0.000 0.464 263 Q N 2.247 121.887 119.800 -0.267 0.000 2.293 263 Q HA 0.541 4.881 4.340 -0.000 0.000 0.261 263 Q C -0.692 175.010 176.000 -0.496 0.000 0.960 263 Q CA -0.234 55.460 55.803 -0.181 0.000 0.882 263 Q CB 1.725 30.422 28.738 -0.067 0.000 1.275 263 Q HN 0.372 nan 8.270 nan 0.000 0.445 264 F N 0.830 120.833 119.950 0.087 0.000 2.692 264 F HA 0.517 5.044 4.527 -0.000 0.000 0.320 264 F C -0.698 175.170 175.800 0.114 0.000 1.123 264 F CA -1.239 56.796 58.000 0.058 0.000 0.961 264 F CB 1.249 40.246 39.000 -0.005 0.000 1.383 264 F HN 0.438 nan 8.300 nan 0.000 0.483 265 Y N 0.251 120.677 120.300 0.209 0.000 2.442 265 Y HA 0.917 5.467 4.550 -0.000 0.000 0.344 265 Y C -1.312 174.602 175.900 0.022 0.000 0.976 265 Y CA -1.839 56.311 58.100 0.083 0.000 1.040 265 Y CB 1.210 39.685 38.460 0.025 0.000 1.228 265 Y HN 0.779 nan 8.280 nan 0.000 0.451 266 A N 5.164 128.046 122.820 0.103 0.000 2.365 266 A HA 0.784 5.104 4.320 -0.000 0.000 0.318 266 A C -1.280 176.294 177.584 -0.018 0.000 1.091 266 A CA -0.994 50.974 52.037 -0.115 0.000 0.763 266 A CB 1.028 19.826 19.000 -0.338 0.000 1.248 266 A HN 0.889 nan 8.150 nan 0.000 0.442 267 L N 1.325 122.510 121.223 -0.063 0.000 2.416 267 L HA 0.302 4.642 4.340 -0.000 0.000 0.262 267 L C 1.803 178.660 176.870 -0.022 0.000 1.093 267 L CA -0.120 54.727 54.840 0.012 0.000 0.801 267 L CB 1.669 43.743 42.059 0.025 0.000 1.191 267 L HN 0.979 nan 8.230 nan 0.000 0.459 268 S N -1.432 114.327 115.700 0.098 0.000 2.500 268 S HA -0.138 4.332 4.470 -0.000 0.000 0.239 268 S C 1.389 176.086 174.600 0.161 0.000 0.989 268 S CA 0.948 59.272 58.200 0.206 0.000 0.951 268 S CB -0.407 62.930 63.200 0.228 0.000 0.759 268 S HN 0.767 nan 8.310 nan 0.000 0.523 269 S N 0.232 115.989 115.700 0.095 0.000 2.575 269 S HA 0.196 4.666 4.470 -0.000 0.000 0.215 269 S C 0.040 174.698 174.600 0.096 0.000 0.966 269 S CA -0.542 57.714 58.200 0.092 0.000 0.911 269 S CB -0.175 63.066 63.200 0.068 0.000 0.780 269 S HN 0.356 nan 8.310 nan 0.000 0.514 270 D N 1.505 121.958 120.400 0.090 0.000 2.411 270 D HA 0.477 5.117 4.640 -0.000 0.000 0.251 270 D C -0.315 176.120 176.300 0.225 0.000 1.201 270 D CA -0.203 53.865 54.000 0.113 0.000 0.996 270 D CB 0.666 41.476 40.800 0.016 0.000 1.101 270 D HN 0.192 nan 8.370 nan 0.000 0.504 271 L N 1.049 122.381 121.223 0.182 0.000 2.410 271 L HA 0.346 4.686 4.340 -0.000 0.000 0.270 271 L C -1.023 175.939 176.870 0.153 0.000 0.983 271 L CA -1.019 53.905 54.840 0.139 0.000 0.822 271 L CB 2.005 44.104 42.059 0.066 0.000 1.285 271 L HN 0.077 nan 8.230 nan 0.000 0.409 272 L N 4.602 125.909 121.223 0.141 0.000 2.296 272 L HA 0.569 4.909 4.340 -0.000 0.000 0.286 272 L C -1.081 175.815 176.870 0.042 0.000 1.023 272 L CA -0.060 54.851 54.840 0.117 0.000 0.812 272 L CB 1.531 43.694 42.059 0.174 0.000 1.223 272 L HN 0.529 nan 8.230 nan 0.000 0.421 273 L N 5.652 126.907 121.223 0.053 0.000 2.319 273 L HA 0.573 4.913 4.340 -0.000 0.000 0.281 273 L C -1.619 175.281 176.870 0.049 0.000 1.005 273 L CA -0.606 54.259 54.840 0.042 0.000 0.828 273 L CB 1.349 43.440 42.059 0.054 0.000 1.227 273 L HN 0.568 nan 8.230 nan 0.000 0.415 274 L N 5.309 126.547 121.223 0.024 0.000 2.313 274 L HA 0.865 5.205 4.340 -0.000 0.000 0.283 274 L C -0.192 176.692 176.870 0.024 0.000 1.013 274 L CA 0.024 54.874 54.840 0.016 0.000 0.816 274 L CB 1.649 43.699 42.059 -0.015 0.000 1.236 274 L HN 0.712 nan 8.230 nan 0.000 0.419 275 A N 1.897 124.748 122.820 0.051 0.000 2.556 275 A HA 0.739 5.059 4.320 -0.000 0.000 0.294 275 A C -0.342 177.290 177.584 0.080 0.000 1.091 275 A CA -0.620 51.461 52.037 0.074 0.000 0.704 275 A CB 1.069 20.136 19.000 0.111 0.000 1.300 275 A HN 0.861 nan 8.150 nan 0.000 0.406 276 C N 0.409 119.751 119.300 0.070 0.000 2.396 276 C HA 0.606 5.066 4.460 -0.000 0.000 0.359 276 C C 1.563 176.618 174.990 0.109 0.000 1.307 276 C CA 0.316 59.373 59.018 0.067 0.000 2.392 276 C CB 0.425 28.203 27.740 0.063 0.000 2.245 276 C HN 0.942 nan 8.230 nan 0.000 0.615 277 D N 0.679 121.124 120.400 0.075 0.000 2.190 277 D HA -0.066 4.574 4.640 -0.000 0.000 0.200 277 D C 2.001 178.361 176.300 0.100 0.000 0.992 277 D CA 1.902 55.949 54.000 0.079 0.000 0.854 277 D CB -1.212 39.609 40.800 0.034 0.000 0.936 277 D HN 0.881 nan 8.370 nan 0.000 0.462 278 G N 0.535 109.378 108.800 0.072 0.000 2.475 278 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 278 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 278 G C 1.794 176.708 174.900 0.022 0.000 1.125 278 G CA 1.123 46.254 45.100 0.051 0.000 0.755 278 G HN 0.357 nan 8.290 nan 0.000 0.565 279 V N -0.707 119.200 119.914 -0.012 0.000 2.548 279 V HA -0.047 4.073 4.120 -0.000 0.000 0.249 279 V C 1.859 177.763 176.094 -0.317 0.000 1.055 279 V CA 1.083 63.272 62.300 -0.184 0.000 1.065 279 V CB -0.506 31.119 31.823 -0.331 0.000 0.681 279 V HN 0.486 nan 8.190 nan 0.000 0.462 280 Y N -0.411 119.845 120.300 -0.073 0.000 2.485 280 Y HA 0.200 4.750 4.550 -0.000 0.000 0.260 280 Y C 2.159 178.025 175.900 -0.057 0.000 1.173 280 Y CA -0.038 58.006 58.100 -0.092 0.000 1.252 280 Y CB -0.081 38.256 38.460 -0.206 0.000 1.123 280 Y HN 0.268 nan 8.280 nan 0.000 0.524 281 E N 1.364 121.608 120.200 0.072 0.000 2.058 281 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 281 E C -1.218 175.399 176.600 0.028 0.000 0.997 281 E CA 0.387 56.813 56.400 0.043 0.000 0.801 281 E CB -0.713 29.002 29.700 0.025 0.000 0.746 281 E HN 0.211 nan 8.360 nan 0.000 0.450 282 P HA 0.002 nan 4.420 nan 0.000 0.269 282 P C -1.076 176.229 177.300 0.010 0.000 1.215 282 P CA 0.210 63.312 63.100 0.003 0.000 0.780 282 P CB 1.122 32.823 31.700 0.002 0.000 0.898 283 S N 0.622 116.317 115.700 -0.008 0.000 2.580 283 S HA 0.601 5.071 4.470 -0.000 0.000 0.274 283 S C 0.577 175.140 174.600 -0.060 0.000 1.329 283 S CA 0.085 58.277 58.200 -0.013 0.000 1.036 283 S CB 0.580 63.769 63.200 -0.018 0.000 0.919 283 S HN 0.970 nan 8.310 nan 0.000 0.515 287 W N 0.581 122.121 121.300 0.400 0.000 2.317 287 W HA 0.046 4.706 4.660 0.000 0.000 0.318 287 W C 2.829 179.552 176.519 0.340 0.000 1.227 287 W CA 2.531 60.099 57.345 0.371 0.000 1.269 287 W CB -1.014 28.550 29.460 0.173 0.000 1.155 287 W HN 0.637 nan 8.180 nan 0.000 0.484 288 A N -0.890 122.308 122.820 0.630 0.000 1.908 288 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 288 A C 1.824 179.528 177.584 0.200 0.000 1.181 288 A CA 1.844 54.049 52.037 0.280 0.000 0.627 288 A CB -1.455 17.506 19.000 -0.064 0.000 0.818 288 A HN 0.509 nan 8.150 nan 0.000 0.445 289 Y N 0.108 120.459 120.300 0.086 0.000 2.242 289 Y HA -0.155 4.395 4.550 -0.000 0.000 0.291 289 Y C 2.387 178.257 175.900 -0.049 0.000 1.137 289 Y CA 1.594 59.690 58.100 -0.007 0.000 1.181 289 Y CB 0.035 38.483 38.460 -0.020 0.000 0.989 289 Y HN 0.109 nan 8.280 nan 0.000 0.527 290 V N 1.372 121.275 119.914 -0.018 0.000 2.407 290 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 290 V C 2.533 178.548 176.094 -0.131 0.000 1.055 290 V CA 2.154 64.359 62.300 -0.159 0.000 1.049 290 V CB -0.760 30.986 31.823 -0.129 0.000 0.662 290 V HN 0.408 nan 8.190 nan 0.000 0.455 291 R N 0.556 121.053 120.500 -0.005 0.000 2.081 291 R HA -0.205 4.135 4.340 -0.000 0.000 0.235 291 R C 1.829 178.071 176.300 -0.096 0.000 1.131 291 R CA 2.283 58.379 56.100 -0.007 0.000 0.960 291 R CB -0.669 29.668 30.300 0.062 0.000 0.856 291 R HN 0.485 nan 8.270 nan 0.000 0.436 292 D N 1.038 121.344 120.400 -0.157 0.000 2.117 292 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 292 D C 2.171 178.289 176.300 -0.304 0.000 0.987 292 D CA 1.128 55.002 54.000 -0.211 0.000 0.829 292 D CB -0.284 40.379 40.800 -0.228 0.000 0.961 292 D HN 0.266 nan 8.370 nan 0.000 0.460 293 L N 0.635 121.569 121.223 -0.482 0.000 2.017 293 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 293 L C 2.542 179.254 176.870 -0.263 0.000 1.073 293 L CA 1.287 55.823 54.840 -0.507 0.000 0.745 293 L CB -0.805 40.836 42.059 -0.697 0.000 0.894 293 L HN 0.028 nan 8.230 nan 0.000 0.432 294 T N -0.548 113.891 114.554 -0.191 0.000 2.708 294 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 294 T C 2.012 176.670 174.700 -0.071 0.000 1.037 294 T CA 1.410 63.450 62.100 -0.100 0.000 1.146 294 T CB -0.292 68.539 68.868 -0.062 0.000 0.865 294 T HN 0.049 nan 8.240 nan 0.000 0.435 295 V N 1.692 121.561 119.914 -0.075 0.000 2.295 295 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 295 V C 2.895 178.960 176.094 -0.048 0.000 1.049 295 V CA 1.755 64.027 62.300 -0.048 0.000 1.024 295 V CB -1.220 30.576 31.823 -0.046 0.000 0.648 295 V HN 0.546 nan 8.190 nan 0.000 0.447 296 A N -0.584 122.191 122.820 -0.076 0.000 1.902 296 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 296 A C 1.437 179.002 177.584 -0.031 0.000 1.181 296 A CA 1.103 53.105 52.037 -0.057 0.000 0.623 296 A CB -0.341 18.607 19.000 -0.086 0.000 0.818 296 A HN 0.551 nan 8.150 nan 0.000 0.443 300 R N 1.370 121.874 120.500 0.006 0.000 2.127 300 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 300 R C 1.608 177.914 176.300 0.010 0.000 1.134 300 R CA 2.078 58.184 56.100 0.010 0.000 0.975 300 R CB 0.068 30.378 30.300 0.016 0.000 0.865 300 R HN 0.233 nan 8.270 nan 0.000 0.447 301 S N -0.853 114.852 115.700 0.009 0.000 2.554 301 S HA 0.198 4.668 4.470 -0.000 0.000 0.226 301 S C 0.082 174.687 174.600 0.009 0.000 0.980 301 S CA -0.402 57.803 58.200 0.008 0.000 0.939 301 S CB 0.390 63.595 63.200 0.008 0.000 0.832 301 S HN 0.265 nan 8.310 nan 0.000 0.486 302 K N 0.845 121.251 120.400 0.010 0.000 3.096 302 K HA -0.159 4.161 4.320 -0.000 0.000 0.266 302 K C 0.745 177.354 176.600 0.016 0.000 1.043 302 K CA 0.344 56.639 56.287 0.013 0.000 0.758 302 K CB -2.089 30.419 32.500 0.012 0.000 1.260 302 K HN 1.086 nan 8.250 nan 0.000 0.481 303 G N 0.662 109.471 108.800 0.014 0.000 2.132 303 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.234 303 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.234 303 G C -0.335 174.574 174.900 0.015 0.000 0.989 303 G CA 0.149 45.259 45.100 0.017 0.000 0.676 303 G HN 0.496 nan 8.290 nan 0.000 0.522 304 D N 0.747 121.153 120.400 0.011 0.000 2.359 304 D HA 0.306 4.946 4.640 -0.000 0.000 0.250 304 D C 1.997 178.300 176.300 0.005 0.000 1.264 304 D CA -0.289 53.716 54.000 0.009 0.000 0.911 304 D CB 0.179 40.982 40.800 0.005 0.000 1.056 304 D HN 0.284 nan 8.370 nan 0.000 0.499 305 L N 3.131 124.356 121.223 0.004 0.000 2.042 305 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 305 L C 2.030 178.898 176.870 -0.004 0.000 1.076 305 L CA 1.199 56.037 54.840 -0.004 0.000 0.749 305 L CB -0.202 41.851 42.059 -0.010 0.000 0.893 305 L HN 0.330 nan 8.230 nan 0.000 0.432 306 E N 0.014 120.213 120.200 -0.001 0.000 2.110 306 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 306 E C 2.136 178.733 176.600 -0.005 0.000 0.988 306 E CA 1.014 57.412 56.400 -0.003 0.000 0.804 306 E CB -0.071 29.627 29.700 -0.004 0.000 0.745 306 E HN 0.449 nan 8.360 nan 0.000 0.458 307 E N 0.182 120.380 120.200 -0.003 0.000 2.107 307 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 307 E C 2.225 178.829 176.600 0.007 0.000 0.982 307 E CA 0.959 57.358 56.400 -0.001 0.000 0.809 307 E CB -0.088 29.612 29.700 -0.000 0.000 0.756 307 E HN 0.162 nan 8.360 nan 0.000 0.459 308 V N 1.199 121.117 119.914 0.005 0.000 2.427 308 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 308 V C 2.168 178.265 176.094 0.006 0.000 1.051 308 V CA 1.937 64.241 62.300 0.006 0.000 1.048 308 V CB -0.239 31.581 31.823 -0.005 0.000 0.666 308 V HN 0.250 nan 8.190 nan 0.000 0.456 309 A N 0.166 122.985 122.820 -0.000 0.000 1.858 309 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 309 A C 2.485 180.072 177.584 0.005 0.000 1.190 309 A CA 2.267 54.303 52.037 -0.002 0.000 0.617 309 A CB -1.225 17.773 19.000 -0.003 0.000 0.827 309 A HN 0.869 nan 8.150 nan 0.000 0.443 310 A N -0.197 122.625 122.820 0.003 0.000 1.908 310 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 310 A C 2.259 179.852 177.584 0.015 0.000 1.181 310 A CA 1.714 53.750 52.037 -0.002 0.000 0.627 310 A CB -0.491 18.500 19.000 -0.016 0.000 0.818 310 A HN 0.569 nan 8.150 nan 0.000 0.445 311 R N -0.904 119.619 120.500 0.038 0.000 2.075 311 R HA 0.034 4.374 4.340 -0.000 0.000 0.232 311 R C 1.357 177.783 176.300 0.209 0.000 1.126 311 R CA 0.841 56.998 56.100 0.095 0.000 0.963 311 R CB -0.764 29.610 30.300 0.123 0.000 0.858 311 R HN 0.432 nan 8.270 nan 0.000 0.435 315 Y N 2.464 122.790 120.300 0.043 0.000 2.097 315 Y HA -0.148 4.402 4.550 0.000 0.000 0.282 315 Y C 2.704 178.637 175.900 0.055 0.000 1.152 315 Y CA 2.209 60.339 58.100 0.049 0.000 1.136 315 Y CB -0.249 38.227 38.460 0.027 0.000 0.975 315 Y HN 0.088 nan 8.280 nan 0.000 0.498 316 A N -0.749 122.193 122.820 0.203 0.000 1.917 316 A HA -0.305 4.015 4.320 -0.000 0.000 0.219 316 A C 2.055 179.699 177.584 0.099 0.000 1.182 316 A CA 2.014 54.115 52.037 0.107 0.000 0.633 316 A CB -1.418 17.609 19.000 0.045 0.000 0.819 316 A HN 0.641 nan 8.150 nan 0.000 0.448 317 Y N 1.148 121.459 120.300 0.019 0.000 2.163 317 Y HA -0.092 4.458 4.550 0.000 0.000 0.288 317 Y C 0.726 176.625 175.900 -0.001 0.000 1.136 317 Y CA 0.987 59.089 58.100 0.002 0.000 1.147 317 Y CB -0.186 38.268 38.460 -0.011 0.000 0.987 317 Y HN 0.282 nan 8.280 nan 0.000 0.509 321 S N -0.058 115.565 115.700 -0.129 0.000 2.564 321 S HA 0.151 4.621 4.470 -0.000 0.000 0.278 321 S C 0.893 175.457 174.600 -0.060 0.000 1.333 321 S CA 0.199 58.366 58.200 -0.054 0.000 1.048 321 S CB 0.611 63.811 63.200 0.001 0.000 0.900 321 S HN 0.198 nan 8.310 nan 0.000 0.505 322 Q N 2.061 121.847 119.800 -0.023 0.000 2.282 322 Q HA 0.236 4.576 4.340 -0.000 0.000 0.206 322 Q C -0.298 175.720 176.000 0.030 0.000 0.878 322 Q CA -0.020 55.780 55.803 -0.006 0.000 0.944 322 Q CB 0.176 28.908 28.738 -0.010 0.000 1.100 322 Q HN 0.681 nan 8.270 nan 0.000 0.509 323 D N 0.269 120.693 120.400 0.041 0.000 2.442 323 D HA 0.177 4.817 4.640 -0.000 0.000 0.254 323 D C -0.266 176.078 176.300 0.073 0.000 1.069 323 D CA -0.589 53.443 54.000 0.053 0.000 1.017 323 D CB 0.928 41.755 40.800 0.045 0.000 1.172 323 D HN -0.209 nan 8.370 nan 0.000 0.561 324 N N 0.402 119.143 118.700 0.069 0.000 2.508 324 N HA 0.164 4.904 4.740 -0.000 0.000 0.264 324 N C -0.493 175.057 175.510 0.067 0.000 1.216 324 N CA 0.053 53.145 53.050 0.070 0.000 0.943 324 N CB 0.583 39.109 38.487 0.065 0.000 1.113 324 N HN 0.315 nan 8.380 nan 0.000 0.447 325 I N 0.985 121.592 120.570 0.062 0.000 2.389 325 I HA 0.296 4.466 4.170 -0.000 0.000 0.288 325 I C -0.159 175.980 176.117 0.037 0.000 0.999 325 I CA -0.481 60.849 61.300 0.050 0.000 1.129 325 I CB 0.773 38.809 38.000 0.059 0.000 1.288 325 I HN 0.216 nan 8.210 nan 0.000 0.444 326 S N 5.213 120.933 115.700 0.032 0.000 2.548 326 S HA 0.846 5.316 4.470 -0.000 0.000 0.276 326 S C -0.253 174.358 174.600 0.017 0.000 1.129 326 S CA -0.654 57.563 58.200 0.028 0.000 0.931 326 S CB 2.835 66.058 63.200 0.038 0.000 1.068 326 S HN 0.522 nan 8.310 nan 0.000 0.480 330 V N 1.438 121.256 119.914 -0.159 0.000 2.487 330 V HA 0.873 4.993 4.120 -0.000 0.000 0.298 330 V C 0.097 175.900 176.094 -0.486 0.000 1.028 330 V CA -0.400 61.696 62.300 -0.340 0.000 0.860 330 V CB 1.729 33.293 31.823 -0.431 0.000 0.991 330 V HN 0.826 nan 8.190 nan 0.000 0.427 331 A N 4.339 126.837 122.820 -0.536 0.000 2.340 331 A HA 0.963 5.283 4.320 -0.000 0.000 0.331 331 A C -1.116 175.960 177.584 -0.847 0.000 1.140 331 A CA -0.391 51.355 52.037 -0.486 0.000 0.801 331 A CB 0.920 19.756 19.000 -0.273 0.000 1.234 331 A HN 0.601 nan 8.150 nan 0.000 0.469 332 F N 0.876 120.590 119.950 -0.392 0.000 2.507 332 F HA 0.573 5.100 4.527 0.000 0.000 0.327 332 F C 0.611 176.181 175.800 -0.383 0.000 1.068 332 F CA -0.208 57.529 58.000 -0.439 0.000 0.965 332 F CB 1.672 40.430 39.000 -0.403 0.000 1.192 332 F HN 0.491 nan 8.300 nan 0.000 0.476 333 H N 0.563 119.803 119.070 0.284 0.000 2.747 333 H HA 0.327 4.883 4.556 -0.000 0.000 0.371 333 H C -0.080 175.439 175.328 0.318 0.000 1.161 333 H CA -0.727 55.462 56.048 0.234 0.000 1.167 333 H CB 1.734 31.580 29.762 0.140 0.000 1.732 333 H HN 0.511 nan 8.280 nan 0.000 0.544 334 N N 0.412 119.320 118.700 0.347 0.000 2.415 334 N HA -0.081 4.659 4.740 -0.000 0.000 0.176 334 N C 0.369 176.046 175.510 0.278 0.000 1.042 334 N CA 0.536 53.729 53.050 0.238 0.000 0.902 334 N CB 0.786 39.356 38.487 0.138 0.000 0.986 334 N HN 0.522 nan 8.380 nan 0.000 0.447 335 Q N 1.078 121.028 119.800 0.251 0.000 2.342 335 Q HA 0.221 4.561 4.340 -0.000 0.000 0.267 335 Q C -0.947 174.993 176.000 -0.100 0.000 1.038 335 Q CA -0.575 55.303 55.803 0.125 0.000 0.832 335 Q CB 1.637 30.387 28.738 0.020 0.000 1.323 335 Q HN 0.037 nan 8.270 nan 0.000 0.448 336 E N 2.002 121.947 120.200 -0.425 0.000 2.414 336 E HA 0.201 4.551 4.350 -0.000 0.000 0.263 336 E C -0.429 175.940 176.600 -0.384 0.000 1.000 336 E CA -0.349 55.553 56.400 -0.830 0.000 0.914 336 E CB 0.607 29.892 29.700 -0.693 0.000 0.948 336 E HN 0.575 nan 8.360 nan 0.000 0.444 337 V N 2.079 121.807 119.914 -0.310 0.000 2.673 337 V HA -0.010 4.110 4.120 -0.000 0.000 0.303 337 V C 0.704 176.674 176.094 -0.205 0.000 1.046 337 V CA 0.233 62.404 62.300 -0.215 0.000 1.126 337 V CB 1.248 33.004 31.823 -0.113 0.000 0.934 337 V HN 0.904 nan 8.190 nan 0.000 0.487 338 E N 1.529 121.577 120.200 -0.253 0.000 2.276 338 E HA 0.081 4.431 4.350 -0.000 0.000 0.193 338 E C 0.004 176.283 176.600 -0.535 0.000 0.983 338 E CA 0.348 56.509 56.400 -0.398 0.000 0.861 338 E CB 0.193 29.589 29.700 -0.508 0.000 0.817 338 E HN 0.887 nan 8.360 nan 0.000 0.485 339 H N 0.919 119.966 119.070 -0.039 0.000 2.348 339 H HA 0.218 4.774 4.556 -0.000 0.000 0.232 339 H C -2.303 173.016 175.328 -0.015 0.000 1.419 339 H CA -2.067 53.968 56.048 -0.022 0.000 1.416 339 H CB 0.240 29.989 29.762 -0.021 0.000 1.510 339 H HN 0.153 nan 8.280 nan 0.000 0.507 340 P HA 0.029 nan 4.420 nan 0.000 0.265 340 P C 0.150 177.486 177.300 0.059 0.000 1.193 340 P CA 0.263 63.393 63.100 0.051 0.000 0.765 340 P CB 1.207 32.931 31.700 0.040 0.000 0.823 341 T N -1.222 113.364 114.554 0.052 0.000 2.843 341 T HA 0.727 5.077 4.350 -0.000 0.000 0.302 341 T C -1.255 173.470 174.700 0.041 0.000 1.232 341 T CA -0.975 61.152 62.100 0.045 0.000 1.009 341 T CB 1.705 70.599 68.868 0.043 0.000 1.254 341 T HN 0.463 nan 8.240 nan 0.000 0.504 342 A N 1.379 124.221 122.820 0.037 0.000 2.375 342 A HA 0.737 5.057 4.320 -0.000 0.000 0.291 342 A C -0.925 176.688 177.584 0.048 0.000 1.160 342 A CA -0.689 51.369 52.037 0.036 0.000 0.747 342 A CB 1.121 20.133 19.000 0.020 0.000 1.170 342 A HN 0.944 nan 8.150 nan 0.000 0.458 343 V N 2.537 122.490 119.914 0.065 0.000 2.656 343 V HA 0.444 4.564 4.120 -0.000 0.000 0.307 343 V C -1.285 174.904 176.094 0.159 0.000 1.051 343 V CA -0.608 61.744 62.300 0.088 0.000 0.893 343 V CB 1.829 33.687 31.823 0.058 0.000 0.999 343 V HN 0.788 nan 8.190 nan 0.000 0.426 344 Y N 5.772 126.070 120.300 -0.004 0.000 2.328 344 Y HA 0.709 5.259 4.550 -0.000 0.000 0.336 344 Y C -0.071 175.825 175.900 -0.007 0.000 0.960 344 Y CA -1.124 56.972 58.100 -0.006 0.000 1.134 344 Y CB 1.220 39.676 38.460 -0.007 0.000 1.166 344 Y HN 0.776 nan 8.280 nan 0.000 0.464 345 K N 3.118 123.369 120.400 -0.248 0.000 2.499 345 K HA 0.815 5.135 4.320 -0.000 0.000 0.277 345 K C -2.177 174.235 176.600 -0.314 0.000 1.025 345 K CA -1.132 55.002 56.287 -0.254 0.000 0.900 345 K CB 1.664 34.101 32.500 -0.105 0.000 1.494 345 K HN 0.253 nan 8.250 nan 0.000 0.442 346 V N 1.628 121.410 119.914 -0.221 0.000 2.435 346 V HA 0.517 4.637 4.120 -0.000 0.000 0.290 346 V C -0.250 175.778 176.094 -0.110 0.000 1.030 346 V CA -0.312 61.881 62.300 -0.179 0.000 0.881 346 V CB 0.846 32.574 31.823 -0.159 0.000 0.983 346 V HN 0.776 nan 8.190 nan 0.000 0.445 347 V N 0.000 119.859 119.914 -0.091 0.000 2.409 347 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 347 V CA 0.000 62.263 62.300 -0.062 0.000 1.235 347 V CB 0.000 31.791 31.823 -0.054 0.000 1.184 347 V HN 0.000 nan 8.190 nan 0.000 0.556