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 2aqv_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIDYTAAGFT LLQGAHLYAP EDRGICDVLV ANGKIIAVAS NIPSDIVPNC DATA SEQUENCE TVVDLSGQIL CPGFIDQHVH LIGGGGEAGP TTRTPEVALS RLTEAGVTSV DATA SEQUENCE VGLLGTDSIS RHPESLLAKT RALNEEGISA WMLTGAFHVP SRTITGSVEK DATA SEQUENCE DVAIIDRVIG VXCAISDHRS AAPDVYHLAN MAAESRVGGL LGGKPGVTVF DATA SEQUENCE HMGDSKKALQ PIYDLLENCD VPISKLLPTH VNRNVPLFEQ ALEFARKGGT DATA SEQUENCE IDITSSIDEP VAPAEGIARA VQAGIPLARV TLSSDGNGXX XXXXXXXXXX DATA SEQUENCE XXGVAGFETL LETVQVLVKD YDFSISDALR PLTSSVAGFL NLTGKGEILP DATA SEQUENCE GNDADLLVMT PELRIEQVYA RGKLMVKDGK ACVKGTFET 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.290 176.300 -0.017 0.000 1.140 1 M CA 0.000 55.312 55.300 0.020 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 I N 2.073 122.627 120.570 -0.027 0.000 2.395 2 I HA 0.200 4.370 4.170 -0.001 0.000 0.289 2 I C 0.018 175.951 176.117 -0.307 0.000 1.023 2 I CA -0.154 61.017 61.300 -0.216 0.000 1.350 2 I CB 0.939 38.740 38.000 -0.331 0.000 1.409 2 I HN 0.501 nan 8.210 nan 0.000 0.507 3 D N 5.439 125.636 120.400 -0.339 0.000 2.280 3 D HA 0.177 4.817 4.640 -0.001 0.000 0.243 3 D C -0.496 175.612 176.300 -0.320 0.000 1.129 3 D CA 0.127 54.000 54.000 -0.212 0.000 0.848 3 D CB 0.530 41.263 40.800 -0.111 0.000 1.107 3 D HN 0.325 nan 8.370 nan 0.000 0.471 4 Y N 1.178 121.512 120.300 0.056 0.000 2.682 4 Y HA 0.084 4.634 4.550 -0.000 0.000 0.251 4 Y C 2.226 178.138 175.900 0.019 0.000 1.172 4 Y CA -0.095 58.050 58.100 0.074 0.000 1.186 4 Y CB 0.400 38.976 38.460 0.194 0.000 1.216 4 Y HN 0.462 nan 8.280 nan 0.000 0.540 5 T N -2.726 111.898 114.554 0.117 0.000 2.929 5 T HA -0.207 4.143 4.350 -0.001 0.000 0.271 5 T C 2.166 176.844 174.700 -0.038 0.000 1.085 5 T CA 1.107 63.235 62.100 0.046 0.000 1.125 5 T CB -0.195 68.695 68.868 0.038 0.000 0.874 5 T HN 0.329 nan 8.240 nan 0.000 0.494 6 A N 1.708 124.500 122.820 -0.048 0.000 1.986 6 A HA 0.228 4.548 4.320 -0.001 0.000 0.220 6 A C 2.773 180.261 177.584 -0.159 0.000 1.171 6 A CA 1.802 53.791 52.037 -0.080 0.000 0.640 6 A CB -1.317 17.647 19.000 -0.060 0.000 0.811 6 A HN 0.842 nan 8.150 nan 0.000 0.451 7 A N -1.359 121.285 122.820 -0.294 0.000 2.067 7 A HA 0.340 4.659 4.320 -0.001 0.000 0.219 7 A C 1.955 179.216 177.584 -0.538 0.000 1.158 7 A CA 1.350 53.035 52.037 -0.587 0.000 0.661 7 A CB -1.169 17.003 19.000 -1.381 0.000 0.801 7 A HN 1.974 nan 8.150 nan 0.000 0.452 8 G N -1.114 107.488 108.800 -0.330 0.000 2.323 8 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.292 8 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.292 8 G C -0.052 174.772 174.900 -0.125 0.000 1.040 8 G CA 0.081 45.084 45.100 -0.161 0.000 0.942 8 G HN 0.410 nan 8.290 nan 0.000 0.506 9 F N 0.686 120.650 119.950 0.023 0.000 2.578 9 F HA 0.395 4.921 4.527 -0.001 0.000 0.381 9 F C 1.172 176.972 175.800 0.001 0.000 1.069 9 F CA 0.569 58.571 58.000 0.004 0.000 1.231 9 F CB 0.940 39.936 39.000 -0.006 0.000 1.086 9 F HN 0.068 nan 8.300 nan 0.000 0.564 10 T N 5.188 119.857 114.554 0.191 0.000 2.928 10 T HA 0.438 4.788 4.350 -0.001 0.000 0.296 10 T C -1.260 173.458 174.700 0.030 0.000 1.000 10 T CA -0.585 61.564 62.100 0.081 0.000 0.989 10 T CB 1.600 70.484 68.868 0.028 0.000 1.005 10 T HN 0.355 nan 8.240 nan 0.000 0.442 11 L N 4.372 125.601 121.223 0.009 0.000 2.325 11 L HA 0.639 4.979 4.340 -0.001 0.000 0.281 11 L C -1.409 175.440 176.870 -0.036 0.000 1.004 11 L CA -0.630 54.197 54.840 -0.021 0.000 0.823 11 L CB 0.783 42.829 42.059 -0.022 0.000 1.236 11 L HN 0.620 nan 8.230 nan 0.000 0.415 12 L N 5.411 126.596 121.223 -0.064 0.000 2.264 12 L HA 0.500 4.840 4.340 -0.001 0.000 0.287 12 L C -0.059 176.790 176.870 -0.036 0.000 1.039 12 L CA -0.131 54.670 54.840 -0.066 0.000 0.829 12 L CB 1.059 43.041 42.059 -0.128 0.000 1.211 12 L HN 0.646 nan 8.230 nan 0.000 0.427 13 Q N 1.725 121.515 119.800 -0.016 0.000 2.293 13 Q HA 0.413 4.753 4.340 -0.001 0.000 0.261 13 Q C 0.812 176.811 176.000 -0.002 0.000 0.960 13 Q CA -0.013 55.783 55.803 -0.012 0.000 0.882 13 Q CB 1.885 30.617 28.738 -0.010 0.000 1.275 13 Q HN 0.835 nan 8.270 nan 0.000 0.445 14 G N 1.922 110.717 108.800 -0.008 0.000 2.225 14 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.267 14 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.267 14 G C 0.066 174.972 174.900 0.011 0.000 1.024 14 G CA 0.373 45.469 45.100 -0.007 0.000 0.784 14 G HN 0.754 nan 8.290 nan 0.000 0.507 15 A N -0.853 121.982 122.820 0.026 0.000 2.271 15 A HA 0.711 5.031 4.320 -0.001 0.000 0.288 15 A C 0.200 177.836 177.584 0.087 0.000 1.094 15 A CA -0.010 52.068 52.037 0.068 0.000 0.828 15 A CB 0.516 19.564 19.000 0.080 0.000 1.091 15 A HN 0.893 nan 8.150 nan 0.000 0.493 16 H N 0.283 119.361 119.070 0.013 0.000 2.723 16 H HA 0.437 4.992 4.556 -0.001 0.000 0.294 16 H C -0.749 174.525 175.328 -0.090 0.000 1.079 16 H CA -0.641 55.374 56.048 -0.054 0.000 1.411 16 H CB 0.571 30.336 29.762 0.004 0.000 1.439 16 H HN 0.523 nan 8.280 nan 0.000 0.474 17 L N 6.741 128.054 121.223 0.150 0.000 2.276 17 L HA 0.237 4.576 4.340 -0.001 0.000 0.286 17 L C -1.670 175.086 176.870 -0.190 0.000 1.061 17 L CA -0.281 54.574 54.840 0.025 0.000 0.807 17 L CB 0.222 42.289 42.059 0.012 0.000 1.177 17 L HN 0.603 nan 8.230 nan 0.000 0.429 18 Y N 4.622 124.970 120.300 0.080 0.000 2.402 18 Y HA 0.494 5.044 4.550 -0.001 0.000 0.332 18 Y C 0.997 176.934 175.900 0.062 0.000 0.960 18 Y CA -0.324 57.809 58.100 0.055 0.000 1.228 18 Y CB 1.704 40.174 38.460 0.016 0.000 1.120 18 Y HN 0.773 nan 8.280 nan 0.000 0.491 19 A N 4.655 127.566 122.820 0.151 0.000 2.206 19 A HA 0.040 4.359 4.320 -0.001 0.000 0.211 19 A C -0.829 176.823 177.584 0.114 0.000 1.158 19 A CA 0.271 52.375 52.037 0.112 0.000 0.761 19 A CB -1.049 17.991 19.000 0.067 0.000 0.801 19 A HN 0.537 nan 8.150 nan 0.000 0.473 20 P HA -0.102 nan 4.420 nan 0.000 0.219 20 P C -0.091 177.329 177.300 0.200 0.000 1.146 20 P CA 0.748 63.954 63.100 0.176 0.000 0.808 20 P CB -0.196 31.590 31.700 0.143 0.000 0.779 21 E N 1.068 121.349 120.200 0.135 0.000 2.529 21 E HA -0.009 4.341 4.350 -0.001 0.000 0.259 21 E C 0.358 177.016 176.600 0.097 0.000 0.966 21 E CA 0.360 56.828 56.400 0.113 0.000 0.937 21 E CB -0.569 29.172 29.700 0.069 0.000 0.923 21 E HN 0.085 nan 8.360 nan 0.000 0.468 22 D N 2.457 122.917 120.400 0.100 0.000 2.382 22 D HA -0.036 4.604 4.640 -0.001 0.000 0.259 22 D C 0.049 176.326 176.300 -0.038 0.000 1.224 22 D CA 0.083 54.066 54.000 -0.028 0.000 0.894 22 D CB 0.476 41.314 40.800 0.062 0.000 1.127 22 D HN 0.234 nan 8.370 nan 0.000 0.487 23 R N 2.662 123.109 120.500 -0.088 0.000 2.472 23 R HA 0.280 4.620 4.340 -0.001 0.000 0.279 23 R C 1.235 177.467 176.300 -0.113 0.000 0.953 23 R CA 0.182 56.244 56.100 -0.064 0.000 1.088 23 R CB 0.088 30.362 30.300 -0.044 0.000 1.197 23 R HN 0.707 nan 8.270 nan 0.000 0.536 24 G N 1.780 110.475 108.800 -0.175 0.000 2.601 24 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.252 24 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.252 24 G C -0.327 174.292 174.900 -0.467 0.000 1.294 24 G CA -0.483 44.321 45.100 -0.493 0.000 0.912 24 G HN 0.138 nan 8.290 nan 0.000 0.574 25 I N 0.733 121.055 120.570 -0.413 0.000 2.505 25 I HA 0.482 4.652 4.170 -0.001 0.000 0.287 25 I C 0.900 176.940 176.117 -0.128 0.000 1.104 25 I CA 0.035 61.200 61.300 -0.224 0.000 1.387 25 I CB 0.171 38.071 38.000 -0.168 0.000 1.404 25 I HN 0.832 nan 8.210 nan 0.000 0.528 26 C N 5.878 125.131 119.300 -0.078 0.000 3.082 26 C HA 0.507 4.966 4.460 -0.001 0.000 0.324 26 C C -1.141 173.829 174.990 -0.035 0.000 1.210 26 C CA -0.676 58.309 59.018 -0.055 0.000 1.366 26 C CB 1.647 29.355 27.740 -0.053 0.000 1.756 26 C HN 0.765 nan 8.230 nan 0.000 0.485 27 D N 1.720 122.100 120.400 -0.034 0.000 2.229 27 D HA 0.623 5.263 4.640 -0.001 0.000 0.249 27 D C -0.759 175.523 176.300 -0.030 0.000 1.027 27 D CA -0.028 53.953 54.000 -0.031 0.000 0.923 27 D CB 1.844 42.624 40.800 -0.033 0.000 1.174 27 D HN 0.352 nan 8.370 nan 0.000 0.443 28 V N 2.055 121.947 119.914 -0.036 0.000 2.443 28 V HA 0.270 4.389 4.120 -0.001 0.000 0.293 28 V C -0.691 175.376 176.094 -0.045 0.000 1.021 28 V CA -0.850 61.426 62.300 -0.040 0.000 0.848 28 V CB 1.727 33.521 31.823 -0.048 0.000 0.998 28 V HN 0.299 nan 8.190 nan 0.000 0.424 29 L N 6.783 127.989 121.223 -0.027 0.000 2.272 29 L HA 0.724 5.063 4.340 -0.001 0.000 0.289 29 L C -0.487 176.393 176.870 0.017 0.000 1.032 29 L CA 0.150 54.985 54.840 -0.009 0.000 0.810 29 L CB 1.563 43.613 42.059 -0.015 0.000 1.205 29 L HN 0.458 nan 8.230 nan 0.000 0.422 30 V N 4.660 124.594 119.914 0.034 0.000 2.513 30 V HA 0.936 5.056 4.120 -0.001 0.000 0.299 30 V C -0.092 176.074 176.094 0.120 0.000 1.035 30 V CA -0.288 62.038 62.300 0.043 0.000 0.889 30 V CB 1.363 33.174 31.823 -0.021 0.000 0.988 30 V HN 0.958 nan 8.190 nan 0.000 0.440 31 A N 3.269 126.140 122.820 0.086 0.000 2.488 31 A HA 0.686 5.006 4.320 -0.001 0.000 0.298 31 A C 0.148 177.712 177.584 -0.033 0.000 1.044 31 A CA -0.618 51.433 52.037 0.023 0.000 0.693 31 A CB 1.041 20.106 19.000 0.108 0.000 1.272 31 A HN 0.885 nan 8.150 nan 0.000 0.402 32 N N 0.822 119.463 118.700 -0.097 0.000 2.710 32 N HA -0.240 4.500 4.740 -0.001 0.000 0.249 32 N C 1.030 176.526 175.510 -0.023 0.000 1.059 32 N CA 2.306 55.317 53.050 -0.065 0.000 0.720 32 N CB -1.098 37.356 38.487 -0.055 0.000 0.983 32 N HN 2.284 nan 8.380 nan 0.000 0.544 33 G N -1.549 107.245 108.800 -0.010 0.000 2.168 33 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.263 33 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.263 33 G C 0.033 174.944 174.900 0.019 0.000 0.977 33 G CA 1.023 46.130 45.100 0.011 0.000 0.659 33 G HN 0.430 nan 8.290 nan 0.000 0.533 34 K N -0.266 120.144 120.400 0.016 0.000 2.208 34 K HA 0.627 4.947 4.320 -0.001 0.000 0.247 34 K C 0.252 176.867 176.600 0.024 0.000 0.953 34 K CA -1.048 55.253 56.287 0.024 0.000 0.837 34 K CB 1.922 34.438 32.500 0.026 0.000 1.131 34 K HN 0.164 nan 8.250 nan 0.000 0.431 35 I N 3.372 123.955 120.570 0.022 0.000 2.396 35 I HA 0.062 4.232 4.170 -0.001 0.000 0.289 35 I C 1.563 177.694 176.117 0.024 0.000 1.056 35 I CA 0.135 61.445 61.300 0.016 0.000 1.365 35 I CB 0.370 38.378 38.000 0.012 0.000 1.407 35 I HN 0.590 nan 8.210 nan 0.000 0.509 36 I N 3.363 123.950 120.570 0.029 0.000 4.187 36 I HA 0.622 4.792 4.170 -0.001 0.000 0.326 36 I C 0.611 176.739 176.117 0.018 0.000 1.302 36 I CA -0.050 61.270 61.300 0.034 0.000 1.196 36 I CB 0.430 38.466 38.000 0.060 0.000 1.095 36 I HN 0.474 nan 8.210 nan 0.000 0.411 37 A N 0.770 123.595 122.820 0.008 0.000 2.555 37 A HA 0.752 5.072 4.320 -0.001 0.000 0.297 37 A C -1.318 176.260 177.584 -0.009 0.000 1.060 37 A CA -0.429 51.606 52.037 -0.004 0.000 0.710 37 A CB 1.729 20.721 19.000 -0.013 0.000 1.282 37 A HN -0.035 nan 8.150 nan 0.000 0.399 38 V N 0.924 120.832 119.914 -0.010 0.000 2.482 38 V HA 0.880 5.000 4.120 -0.001 0.000 0.295 38 V C 0.169 176.252 176.094 -0.018 0.000 1.026 38 V CA 0.377 62.669 62.300 -0.013 0.000 0.856 38 V CB 0.945 32.764 31.823 -0.006 0.000 1.001 38 V HN 2.081 nan 8.190 nan 0.000 0.424 39 A N 3.305 126.110 122.820 -0.024 0.000 2.567 39 A HA 0.793 5.113 4.320 -0.001 0.000 0.291 39 A C -0.574 176.989 177.584 -0.034 0.000 1.048 39 A CA -0.613 51.408 52.037 -0.028 0.000 0.661 39 A CB 1.376 20.360 19.000 -0.027 0.000 1.288 39 A HN 0.602 nan 8.150 nan 0.000 0.424 40 S N 1.944 117.622 115.700 -0.037 0.000 2.565 40 S HA 0.442 4.911 4.470 -0.001 0.000 0.274 40 S C 0.079 174.657 174.600 -0.037 0.000 1.309 40 S CA -0.389 57.787 58.200 -0.041 0.000 1.043 40 S CB 0.130 63.301 63.200 -0.047 0.000 0.939 40 S HN 0.780 nan 8.310 nan 0.000 0.504 41 N N 1.129 119.807 118.700 -0.037 0.000 2.608 41 N HA -0.164 4.575 4.740 -0.001 0.000 0.273 41 N C -1.057 174.432 175.510 -0.036 0.000 1.133 41 N CA 0.449 53.478 53.050 -0.034 0.000 0.726 41 N CB -1.063 37.404 38.487 -0.032 0.000 0.890 41 N HN 0.581 nan 8.380 nan 0.000 0.548 42 I N 1.653 122.200 120.570 -0.039 0.000 2.342 42 I HA 0.179 4.349 4.170 -0.001 0.000 0.291 42 I C -1.669 174.419 176.117 -0.048 0.000 1.010 42 I CA -1.833 59.440 61.300 -0.045 0.000 1.308 42 I CB 0.869 38.841 38.000 -0.047 0.000 1.400 42 I HN -0.083 nan 8.210 nan 0.000 0.488 43 P HA 0.007 nan 4.420 nan 0.000 0.261 43 P C 0.677 177.938 177.300 -0.065 0.000 1.203 43 P CA 0.009 63.076 63.100 -0.056 0.000 0.767 43 P CB 0.431 32.094 31.700 -0.061 0.000 0.785 44 S N 1.456 117.124 115.700 -0.052 0.000 2.520 44 S HA -0.203 4.267 4.470 -0.001 0.000 0.249 44 S C 0.840 175.399 174.600 -0.068 0.000 0.983 44 S CA 1.353 59.522 58.200 -0.052 0.000 0.958 44 S CB -0.754 62.425 63.200 -0.034 0.000 0.750 44 S HN 0.563 nan 8.310 nan 0.000 0.527 45 D N -0.579 119.772 120.400 -0.081 0.000 2.513 45 D HA 0.213 4.853 4.640 -0.001 0.000 0.222 45 D C 0.980 177.197 176.300 -0.138 0.000 1.210 45 D CA -0.592 53.349 54.000 -0.098 0.000 0.825 45 D CB -0.564 40.194 40.800 -0.071 0.000 1.037 45 D HN 0.307 nan 8.370 nan 0.000 0.506 46 I N 1.165 121.645 120.570 -0.150 0.000 2.423 46 I HA -0.083 4.086 4.170 -0.001 0.000 0.254 46 I C 0.151 176.103 176.117 -0.275 0.000 1.151 46 I CA 0.828 62.022 61.300 -0.177 0.000 1.421 46 I CB 0.074 37.984 38.000 -0.150 0.000 1.079 46 I HN 0.124 nan 8.210 nan 0.000 0.431 47 V N -2.708 116.977 119.914 -0.382 0.000 2.971 47 V HA 0.651 4.771 4.120 -0.001 0.000 0.309 47 V C -2.761 173.033 176.094 -0.501 0.000 1.130 47 V CA -1.753 60.163 62.300 -0.640 0.000 0.964 47 V CB 1.153 32.196 31.823 -1.300 0.000 1.029 47 V HN -0.090 nan 8.190 nan 0.000 0.427 48 P HA 0.315 nan 4.420 nan 0.000 0.274 48 P C -0.147 177.170 177.300 0.027 0.000 1.237 48 P CA 0.050 62.989 63.100 -0.267 0.000 0.793 48 P CB 0.049 31.380 31.700 -0.614 0.000 0.977 49 N N -2.406 116.360 118.700 0.110 0.000 2.714 49 N HA -0.182 4.557 4.740 -0.001 0.000 0.252 49 N C -0.405 175.236 175.510 0.217 0.000 1.014 49 N CA 0.193 53.359 53.050 0.193 0.000 0.735 49 N CB -1.526 37.135 38.487 0.290 0.000 0.924 49 N HN 0.461 nan 8.380 nan 0.000 0.540 50 C N 0.946 120.320 119.300 0.123 0.000 2.307 50 C HA 0.377 4.837 4.460 -0.001 0.000 0.340 50 C C 0.849 175.892 174.990 0.087 0.000 1.275 50 C CA -0.264 58.828 59.018 0.123 0.000 1.811 50 C CB 0.187 27.929 27.740 0.004 0.000 2.372 50 C HN 0.362 nan 8.230 nan 0.000 0.531 51 T N 5.587 120.202 114.554 0.102 0.000 2.749 51 T HA 0.382 4.732 4.350 -0.001 0.000 0.295 51 T C -0.177 174.555 174.700 0.054 0.000 0.936 51 T CA -0.094 62.050 62.100 0.074 0.000 1.060 51 T CB 0.679 69.597 68.868 0.084 0.000 0.904 51 T HN 0.572 nan 8.240 nan 0.000 0.500 52 V N 4.869 124.806 119.914 0.038 0.000 2.435 52 V HA 0.446 4.566 4.120 -0.001 0.000 0.290 52 V C -0.111 176.001 176.094 0.031 0.000 1.030 52 V CA -0.727 61.587 62.300 0.023 0.000 0.881 52 V CB 1.772 33.601 31.823 0.010 0.000 0.983 52 V HN 0.669 nan 8.190 nan 0.000 0.445 53 V N 3.199 123.129 119.914 0.027 0.000 2.378 53 V HA 0.348 4.468 4.120 -0.001 0.000 0.288 53 V C -0.331 175.780 176.094 0.028 0.000 1.016 53 V CA -0.664 61.660 62.300 0.041 0.000 0.840 53 V CB 1.708 33.572 31.823 0.067 0.000 0.994 53 V HN 0.874 nan 8.190 nan 0.000 0.431 54 D N 4.420 124.838 120.400 0.031 0.000 2.344 54 D HA 0.250 4.890 4.640 -0.001 0.000 0.253 54 D C 0.498 176.819 176.300 0.035 0.000 1.255 54 D CA 0.149 54.165 54.000 0.026 0.000 0.894 54 D CB 1.020 41.834 40.800 0.023 0.000 1.067 54 D HN 0.494 nan 8.370 nan 0.000 0.492 55 L N 2.590 123.834 121.223 0.034 0.000 2.769 55 L HA 0.099 4.438 4.340 -0.001 0.000 0.240 55 L C 0.700 177.599 176.870 0.047 0.000 1.163 55 L CA -0.283 54.585 54.840 0.046 0.000 0.962 55 L CB -0.111 41.977 42.059 0.048 0.000 1.258 55 L HN 0.323 nan 8.230 nan 0.000 0.513 56 S N 0.067 115.788 115.700 0.035 0.000 2.593 56 S HA 0.201 4.671 4.470 -0.001 0.000 0.300 56 S C 1.387 176.014 174.600 0.045 0.000 1.267 56 S CA 0.436 58.656 58.200 0.034 0.000 1.065 56 S CB 0.890 64.103 63.200 0.022 0.000 0.807 56 S HN 0.603 nan 8.310 nan 0.000 0.499 57 G N 1.921 110.754 108.800 0.055 0.000 2.241 57 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.244 57 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.244 57 G C 0.077 175.025 174.900 0.081 0.000 0.998 57 G CA 0.264 45.402 45.100 0.064 0.000 0.621 57 G HN 0.796 nan 8.290 nan 0.000 0.519 58 Q N -0.116 119.735 119.800 0.085 0.000 2.169 58 Q HA 0.786 5.126 4.340 -0.001 0.000 0.234 58 Q C 0.184 176.264 176.000 0.133 0.000 0.980 58 Q CA -0.490 55.370 55.803 0.095 0.000 0.941 58 Q CB 1.408 30.194 28.738 0.080 0.000 1.199 58 Q HN 0.463 nan 8.270 nan 0.000 0.496 59 I N 0.862 121.510 120.570 0.131 0.000 2.530 59 I HA 0.322 4.491 4.170 -0.001 0.000 0.297 59 I C -1.003 175.204 176.117 0.151 0.000 1.011 59 I CA -0.896 60.511 61.300 0.178 0.000 1.107 59 I CB 1.840 39.934 38.000 0.156 0.000 1.285 59 I HN 0.266 nan 8.210 nan 0.000 0.436 60 L N 7.713 129.047 121.223 0.186 0.000 2.356 60 L HA 0.738 5.077 4.340 -0.001 0.000 0.277 60 L C -0.584 176.387 176.870 0.169 0.000 0.996 60 L CA -0.117 54.805 54.840 0.137 0.000 0.822 60 L CB 1.204 43.319 42.059 0.093 0.000 1.256 60 L HN 0.901 nan 8.230 nan 0.000 0.413 61 C N 2.491 121.864 119.300 0.121 0.000 3.340 61 C HA 0.860 5.320 4.460 -0.001 0.000 0.333 61 C C -2.751 172.290 174.990 0.085 0.000 1.464 61 C CA -1.866 57.232 59.018 0.132 0.000 1.337 61 C CB 1.653 29.486 27.740 0.155 0.000 1.740 61 C HN 0.654 nan 8.230 nan 0.000 0.450 62 P HA 0.386 nan 4.420 nan 0.000 0.277 62 P C 0.213 177.551 177.300 0.062 0.000 1.240 62 P CA 0.781 63.937 63.100 0.093 0.000 0.798 62 P CB 0.285 32.058 31.700 0.123 0.000 0.979 63 G N 1.687 110.509 108.800 0.038 0.000 2.491 63 G HA2 0.256 4.216 3.960 -0.001 0.000 0.242 63 G HA3 0.256 4.216 3.960 -0.001 0.000 0.242 63 G C -0.546 174.437 174.900 0.138 0.000 1.266 63 G CA -0.235 44.848 45.100 -0.028 0.000 0.844 63 G HN 0.205 nan 8.290 nan 0.000 0.571 64 F N 0.065 120.050 119.950 0.058 0.000 2.459 64 F HA 0.366 4.893 4.527 -0.001 0.000 0.346 64 F C 0.914 176.756 175.800 0.071 0.000 1.128 64 F CA -1.186 56.849 58.000 0.060 0.000 1.268 64 F CB 0.828 39.861 39.000 0.054 0.000 1.161 64 F HN 0.146 nan 8.300 nan 0.000 0.583 65 I N 2.440 123.181 120.570 0.284 0.000 2.354 65 I HA 0.172 4.342 4.170 -0.001 0.000 0.286 65 I C -0.583 175.636 176.117 0.170 0.000 1.007 65 I CA -0.525 60.896 61.300 0.201 0.000 1.167 65 I CB 1.132 39.226 38.000 0.157 0.000 1.320 65 I HN 0.351 nan 8.210 nan 0.000 0.458 66 D N 6.203 126.711 120.400 0.181 0.000 2.412 66 D HA 0.126 4.766 4.640 -0.001 0.000 0.224 66 D C 0.598 177.007 176.300 0.182 0.000 1.093 66 D CA -0.427 53.682 54.000 0.181 0.000 0.850 66 D CB 1.180 42.116 40.800 0.226 0.000 1.046 66 D HN 0.603 nan 8.370 nan 0.000 0.507 67 Q N 2.278 122.177 119.800 0.165 0.000 2.280 67 Q HA 0.045 4.384 4.340 -0.001 0.000 0.202 67 Q C -0.350 175.748 176.000 0.164 0.000 0.903 67 Q CA 0.101 55.996 55.803 0.155 0.000 0.948 67 Q CB 0.005 28.823 28.738 0.135 0.000 1.058 67 Q HN 0.463 nan 8.270 nan 0.000 0.493 68 H N -0.243 118.887 119.070 0.099 0.000 2.538 68 H HA 0.462 5.017 4.556 -0.001 0.000 0.239 68 H C -1.837 173.548 175.328 0.096 0.000 1.401 68 H CA -0.529 55.562 56.048 0.073 0.000 1.499 68 H CB 0.819 30.632 29.762 0.085 0.000 1.624 68 H HN 0.062 nan 8.280 nan 0.000 0.524 69 V N 3.371 123.337 119.914 0.087 0.000 2.656 69 V HA 0.154 4.273 4.120 -0.001 0.000 0.307 69 V C 0.019 176.069 176.094 -0.074 0.000 1.051 69 V CA -0.911 61.497 62.300 0.179 0.000 0.893 69 V CB 1.831 33.832 31.823 0.296 0.000 0.999 69 V HN 0.738 nan 8.190 nan 0.000 0.426 70 H N 5.457 124.633 119.070 0.177 0.000 2.855 70 H HA 0.281 4.837 4.556 -0.000 0.000 0.238 70 H C 1.182 176.581 175.328 0.117 0.000 1.847 70 H CA -0.099 56.014 56.048 0.109 0.000 1.368 70 H CB 0.487 30.299 29.762 0.084 0.000 1.758 70 H HN 0.557 nan 8.280 nan 0.000 0.546 71 L N 1.256 122.563 121.223 0.141 0.000 2.064 71 L HA -0.255 4.085 4.340 -0.001 0.000 0.216 71 L C 2.337 179.276 176.870 0.113 0.000 1.077 71 L CA 1.777 56.691 54.840 0.122 0.000 0.766 71 L CB -0.267 41.832 42.059 0.067 0.000 0.890 71 L HN 0.537 nan 8.230 nan 0.000 0.435 72 I N -2.892 117.740 120.570 0.102 0.000 3.793 72 I HA 0.392 4.561 4.170 -0.001 0.000 0.315 72 I C 0.750 176.919 176.117 0.087 0.000 1.275 72 I CA 0.352 61.703 61.300 0.085 0.000 1.214 72 I CB -0.179 37.862 38.000 0.069 0.000 1.018 72 I HN 0.190 nan 8.210 nan 0.000 0.439 73 G N 0.138 109.008 108.800 0.116 0.000 2.576 73 G HA2 0.282 4.242 3.960 -0.001 0.000 0.686 73 G HA3 0.282 4.242 3.960 -0.001 0.000 0.686 73 G C -0.564 174.374 174.900 0.063 0.000 1.242 73 G CA -0.625 44.523 45.100 0.080 0.000 0.819 73 G HN 0.658 nan 8.290 nan 0.000 0.655 74 G N -0.972 107.814 108.800 -0.023 0.000 3.253 74 G HA2 1.060 5.019 3.960 -0.001 0.000 0.175 74 G HA3 1.060 5.019 3.960 -0.001 0.000 0.175 74 G C 1.168 175.981 174.900 -0.145 0.000 1.098 74 G CA 1.238 46.255 45.100 -0.137 0.000 0.790 74 G HN 2.718 nan 8.290 nan 0.000 0.648 75 G N -1.273 107.401 108.800 -0.211 0.000 2.569 75 G HA2 0.326 4.286 3.960 -0.001 0.000 0.259 75 G HA3 0.326 4.286 3.960 -0.001 0.000 0.259 75 G C 1.439 176.257 174.900 -0.135 0.000 1.263 75 G CA 1.633 46.639 45.100 -0.156 0.000 0.928 75 G HN 2.649 nan 8.290 nan 0.000 0.572 76 G N -2.189 106.554 108.800 -0.095 0.000 2.194 76 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.236 76 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.236 76 G C 0.805 175.662 174.900 -0.073 0.000 0.987 76 G CA 1.122 46.174 45.100 -0.080 0.000 0.635 76 G HN 1.306 nan 8.290 nan 0.000 0.520 77 E N 0.228 120.381 120.200 -0.079 0.000 2.333 77 E HA 0.339 4.689 4.350 -0.001 0.000 0.198 77 E C 1.937 178.523 176.600 -0.024 0.000 1.007 77 E CA 1.195 57.563 56.400 -0.053 0.000 0.845 77 E CB 0.008 29.681 29.700 -0.046 0.000 0.766 77 E HN 0.930 nan 8.360 nan 0.000 0.507 78 A N 0.264 123.068 122.820 -0.028 0.000 2.855 78 A HA 0.612 4.931 4.320 -0.001 0.000 0.301 78 A C 0.404 177.976 177.584 -0.019 0.000 1.076 78 A CA 0.097 52.124 52.037 -0.017 0.000 1.004 78 A CB -0.246 18.745 19.000 -0.016 0.000 1.152 78 A HN 0.163 nan 8.150 nan 0.000 0.531 79 G N 0.390 109.177 108.800 -0.023 0.000 2.707 79 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.686 79 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.686 79 G C -1.629 173.256 174.900 -0.025 0.000 1.315 79 G CA -0.275 44.812 45.100 -0.021 0.000 0.832 79 G HN 0.119 nan 8.290 nan 0.000 0.573 80 P HA -0.113 nan 4.420 nan 0.000 0.219 80 P C 2.020 179.308 177.300 -0.020 0.000 1.146 80 P CA 2.737 65.824 63.100 -0.021 0.000 0.808 80 P CB -0.340 31.350 31.700 -0.016 0.000 0.779 81 T N -3.576 110.967 114.554 -0.018 0.000 3.007 81 T HA -0.082 4.267 4.350 -0.001 0.000 0.270 81 T C 1.425 176.113 174.700 -0.021 0.000 1.107 81 T CA 1.584 63.674 62.100 -0.017 0.000 1.118 81 T CB -1.617 67.242 68.868 -0.014 0.000 0.889 81 T HN 0.256 nan 8.240 nan 0.000 0.506 82 T N -0.740 113.798 114.554 -0.027 0.000 3.188 82 T HA 0.264 4.614 4.350 -0.001 0.000 0.250 82 T C 0.618 175.291 174.700 -0.044 0.000 1.077 82 T CA -0.696 61.383 62.100 -0.035 0.000 0.967 82 T CB -0.432 68.413 68.868 -0.038 0.000 1.006 82 T HN 0.347 nan 8.240 nan 0.000 0.552 83 R N 3.183 123.661 120.500 -0.037 0.000 2.288 83 R HA 0.337 4.676 4.340 -0.001 0.000 0.330 83 R C 0.708 176.991 176.300 -0.027 0.000 1.069 83 R CA -0.207 55.870 56.100 -0.038 0.000 0.941 83 R CB 0.446 30.729 30.300 -0.028 0.000 0.998 83 R HN 0.491 nan 8.270 nan 0.000 0.452 84 T N 1.035 115.569 114.554 -0.032 0.000 2.788 84 T HA 0.378 4.728 4.350 -0.001 0.000 0.287 84 T C -2.007 172.699 174.700 0.009 0.000 1.007 84 T CA -1.703 60.389 62.100 -0.013 0.000 1.005 84 T CB 1.059 69.916 68.868 -0.018 0.000 1.012 84 T HN 0.255 nan 8.240 nan 0.000 0.530 85 P HA 0.258 nan 4.420 nan 0.000 0.278 85 P C -0.128 177.209 177.300 0.061 0.000 1.258 85 P CA -0.687 62.434 63.100 0.035 0.000 0.811 85 P CB 0.383 32.103 31.700 0.034 0.000 1.063 86 E N -0.087 120.151 120.200 0.064 0.000 2.409 86 E HA 0.194 4.543 4.350 -0.001 0.000 0.257 86 E C -0.695 175.967 176.600 0.104 0.000 1.150 86 E CA -0.774 55.676 56.400 0.084 0.000 0.942 86 E CB 0.274 30.016 29.700 0.070 0.000 0.979 86 E HN 0.034 nan 8.360 nan 0.000 0.447 87 V N 1.253 121.242 119.914 0.125 0.000 2.649 87 V HA 0.380 4.500 4.120 -0.001 0.000 0.292 87 V C 0.296 176.445 176.094 0.092 0.000 1.055 87 V CA 0.068 62.457 62.300 0.148 0.000 1.023 87 V CB 0.931 32.865 31.823 0.185 0.000 0.992 87 V HN 0.804 nan 8.190 nan 0.000 0.480 88 A N 3.825 126.696 122.820 0.085 0.000 2.305 88 A HA 0.597 4.916 4.320 -0.001 0.000 0.322 88 A C 0.644 178.231 177.584 0.005 0.000 1.187 88 A CA -0.548 51.518 52.037 0.049 0.000 0.825 88 A CB 0.917 19.951 19.000 0.056 0.000 1.164 88 A HN 0.883 nan 8.150 nan 0.000 0.498 89 L N 3.447 124.662 121.223 -0.012 0.000 1.976 89 L HA -0.284 4.055 4.340 -0.001 0.000 0.223 89 L C 2.744 179.580 176.870 -0.058 0.000 1.081 89 L CA 3.445 58.257 54.840 -0.046 0.000 0.784 89 L CB -0.706 41.326 42.059 -0.046 0.000 0.896 89 L HN 0.941 nan 8.230 nan 0.000 0.438 90 S N -0.882 114.797 115.700 -0.035 0.000 2.402 90 S HA -0.272 4.198 4.470 -0.001 0.000 0.233 90 S C 2.103 176.685 174.600 -0.030 0.000 1.030 90 S CA 1.378 59.557 58.200 -0.034 0.000 1.003 90 S CB -0.799 62.390 63.200 -0.018 0.000 0.813 90 S HN 0.582 nan 8.310 nan 0.000 0.477 91 R N 0.465 120.956 120.500 -0.015 0.000 2.115 91 R HA 0.125 4.465 4.340 -0.001 0.000 0.230 91 R C 2.281 178.514 176.300 -0.111 0.000 1.111 91 R CA 1.369 57.478 56.100 0.015 0.000 0.976 91 R CB -0.509 29.867 30.300 0.127 0.000 0.870 91 R HN 0.476 nan 8.270 nan 0.000 0.445 92 L N -0.247 120.829 121.223 -0.245 0.000 2.049 92 L HA -0.125 4.214 4.340 -0.001 0.000 0.203 92 L C 2.758 179.520 176.870 -0.179 0.000 1.074 92 L CA 1.662 56.275 54.840 -0.380 0.000 0.749 92 L CB -0.846 41.001 42.059 -0.353 0.000 0.907 92 L HN 0.301 nan 8.230 nan 0.000 0.439 93 T N -2.664 111.817 114.554 -0.122 0.000 2.684 93 T HA -0.231 4.119 4.350 -0.001 0.000 0.267 93 T C 1.597 176.253 174.700 -0.074 0.000 1.036 93 T CA 1.426 63.471 62.100 -0.092 0.000 1.148 93 T CB -0.480 68.336 68.868 -0.086 0.000 0.863 93 T HN 0.327 nan 8.240 nan 0.000 0.436 94 E N 1.600 121.770 120.200 -0.050 0.000 2.265 94 E HA 0.046 4.395 4.350 -0.001 0.000 0.196 94 E C 2.223 178.826 176.600 0.005 0.000 0.996 94 E CA 0.830 57.217 56.400 -0.023 0.000 0.832 94 E CB -0.270 29.431 29.700 0.001 0.000 0.756 94 E HN 0.734 nan 8.360 nan 0.000 0.491 95 A N -0.017 122.816 122.820 0.022 0.000 2.251 95 A HA 0.284 4.604 4.320 -0.001 0.000 0.209 95 A C 1.667 179.309 177.584 0.096 0.000 1.187 95 A CA 0.726 52.825 52.037 0.104 0.000 0.823 95 A CB -0.126 18.986 19.000 0.187 0.000 0.846 95 A HN 0.315 nan 8.150 nan 0.000 0.486 96 G N -1.619 107.148 108.800 -0.054 0.000 2.157 96 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.248 96 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.248 96 G C 0.125 174.909 174.900 -0.193 0.000 0.979 96 G CA 0.091 45.027 45.100 -0.272 0.000 0.650 96 G HN 0.785 nan 8.290 nan 0.000 0.529 97 V N 1.907 121.819 119.914 -0.004 0.000 2.432 97 V HA 0.531 4.650 4.120 -0.001 0.000 0.271 97 V C 1.463 177.556 176.094 -0.001 0.000 1.046 97 V CA 0.937 63.271 62.300 0.057 0.000 0.945 97 V CB 1.128 32.951 31.823 0.001 0.000 0.992 97 V HN 0.669 nan 8.190 nan 0.000 0.471 98 T N -0.259 114.322 114.554 0.044 0.000 2.975 98 T HA 0.222 4.571 4.350 -0.001 0.000 0.257 98 T C 0.586 175.329 174.700 0.071 0.000 1.003 98 T CA -0.100 62.020 62.100 0.032 0.000 0.932 98 T CB 0.410 69.299 68.868 0.035 0.000 1.087 98 T HN 0.452 nan 8.240 nan 0.000 0.512 99 S N 0.515 116.293 115.700 0.129 0.000 2.571 99 S HA 0.754 5.223 4.470 -0.001 0.000 0.284 99 S C -1.366 173.362 174.600 0.213 0.000 1.128 99 S CA -0.638 57.693 58.200 0.218 0.000 0.970 99 S CB 2.414 65.819 63.200 0.342 0.000 1.039 99 S HN 0.309 nan 8.310 nan 0.000 0.485 100 V N 3.604 123.651 119.914 0.222 0.000 2.962 100 V HA 0.757 4.876 4.120 -0.001 0.000 0.313 100 V C -1.428 174.822 176.094 0.259 0.000 1.099 100 V CA -0.508 61.905 62.300 0.188 0.000 0.971 100 V CB 2.241 34.115 31.823 0.086 0.000 1.028 100 V HN 0.647 nan 8.190 nan 0.000 0.430 101 V N 4.891 124.925 119.914 0.200 0.000 2.378 101 V HA 0.711 4.831 4.120 -0.001 0.000 0.288 101 V C 0.654 176.792 176.094 0.073 0.000 1.016 101 V CA -0.004 62.403 62.300 0.178 0.000 0.840 101 V CB 1.267 33.176 31.823 0.143 0.000 0.994 101 V HN 1.053 nan 8.190 nan 0.000 0.431 102 G N 4.668 113.499 108.800 0.051 0.000 2.400 102 G HA2 0.742 4.702 3.960 -0.001 0.000 0.301 102 G HA3 0.742 4.702 3.960 -0.001 0.000 0.301 102 G C -1.048 173.804 174.900 -0.080 0.000 1.154 102 G CA -0.320 44.768 45.100 -0.021 0.000 0.852 102 G HN 0.713 nan 8.290 nan 0.000 0.511 103 L N -0.883 120.229 121.223 -0.186 0.000 2.765 103 L HA 0.708 5.047 4.340 -0.001 0.000 0.263 103 L C -0.646 176.131 176.870 -0.155 0.000 1.068 103 L CA -1.214 53.517 54.840 -0.182 0.000 0.903 103 L CB 0.914 42.811 42.059 -0.269 0.000 1.512 103 L HN 0.416 nan 8.230 nan 0.000 0.404 104 L N -0.492 120.715 121.223 -0.027 0.000 2.313 104 L HA 0.986 5.326 4.340 -0.001 0.000 0.268 104 L C 0.613 177.572 176.870 0.148 0.000 1.010 104 L CA -0.279 54.607 54.840 0.076 0.000 0.814 104 L CB 1.622 43.696 42.059 0.025 0.000 1.304 104 L HN 0.970 nan 8.230 nan 0.000 0.441 105 G N -0.877 107.952 108.800 0.049 0.000 3.356 105 G HA2 0.231 4.191 3.960 -0.001 0.000 0.178 105 G HA3 0.231 4.191 3.960 -0.001 0.000 0.178 105 G C 0.634 175.008 174.900 -0.878 0.000 1.175 105 G CA 0.369 45.278 45.100 -0.318 0.000 0.840 105 G HN 0.504 nan 8.290 nan 0.000 0.658 106 T N 0.644 114.341 114.554 -1.427 0.000 2.635 106 T HA -0.104 4.246 4.350 -0.001 0.000 0.267 106 T C 0.773 175.227 174.700 -0.410 0.000 1.040 106 T CA 1.760 63.236 62.100 -1.041 0.000 1.156 106 T CB -0.265 68.183 68.868 -0.700 0.000 0.863 106 T HN 0.385 nan 8.240 nan 0.000 0.430 107 D N 1.481 121.692 120.400 -0.315 0.000 2.339 107 D HA 0.214 4.854 4.640 -0.001 0.000 0.241 107 D C 0.139 176.337 176.300 -0.171 0.000 1.183 107 D CA -0.255 53.629 54.000 -0.194 0.000 0.859 107 D CB 0.546 41.249 40.800 -0.161 0.000 1.067 107 D HN 0.259 nan 8.370 nan 0.000 0.484 108 S N 3.210 118.814 115.700 -0.160 0.000 2.843 108 S HA 0.196 4.665 4.470 -0.001 0.000 0.249 108 S C 1.059 175.497 174.600 -0.271 0.000 1.047 108 S CA -0.567 57.518 58.200 -0.192 0.000 1.042 108 S CB 0.037 63.167 63.200 -0.116 0.000 0.936 108 S HN 0.420 nan 8.310 nan 0.000 0.531 109 I N 1.971 122.396 120.570 -0.240 0.000 3.300 109 I HA 0.130 4.299 4.170 -0.001 0.000 0.279 109 I C 2.246 178.233 176.117 -0.218 0.000 1.172 109 I CA 1.093 62.269 61.300 -0.207 0.000 1.431 109 I CB -0.715 37.220 38.000 -0.108 0.000 1.240 109 I HN 0.576 nan 8.210 nan 0.000 0.453 110 S N 0.592 116.195 115.700 -0.162 0.000 2.540 110 S HA 0.246 4.716 4.470 -0.001 0.000 0.218 110 S C 0.710 175.284 174.600 -0.043 0.000 0.977 110 S CA -0.333 57.847 58.200 -0.033 0.000 0.918 110 S CB 0.344 63.538 63.200 -0.010 0.000 0.806 110 S HN 0.091 nan 8.310 nan 0.000 0.496 111 R N 1.948 122.293 120.500 -0.259 0.000 2.534 111 R HA 0.528 4.868 4.340 -0.001 0.000 0.301 111 R C -0.959 175.109 176.300 -0.387 0.000 0.961 111 R CA -0.337 55.675 56.100 -0.146 0.000 0.871 111 R CB 0.936 31.185 30.300 -0.085 0.000 1.170 111 R HN 0.486 nan 8.270 nan 0.000 0.446 112 H N 2.124 121.191 119.070 -0.006 0.000 2.768 112 H HA 0.238 4.794 4.556 -0.001 0.000 0.371 112 H C -1.763 173.565 175.328 0.001 0.000 1.151 112 H CA -1.873 54.171 56.048 -0.006 0.000 1.165 112 H CB 2.518 32.275 29.762 -0.009 0.000 1.722 112 H HN 0.158 nan 8.280 nan 0.000 0.543 113 P HA -0.123 nan 4.420 nan 0.000 0.218 113 P C 0.869 178.209 177.300 0.065 0.000 1.149 113 P CA 1.157 64.296 63.100 0.065 0.000 0.817 113 P CB 0.484 32.212 31.700 0.046 0.000 0.785 114 E N -0.303 119.944 120.200 0.078 0.000 2.110 114 E HA -0.108 4.242 4.350 -0.001 0.000 0.193 114 E C 2.177 178.799 176.600 0.037 0.000 0.988 114 E CA 1.381 57.806 56.400 0.042 0.000 0.804 114 E CB -0.838 28.873 29.700 0.018 0.000 0.745 114 E HN 0.199 nan 8.360 nan 0.000 0.458 115 S N 0.493 116.230 115.700 0.061 0.000 2.355 115 S HA -0.102 4.367 4.470 -0.001 0.000 0.222 115 S C 1.802 176.428 174.600 0.044 0.000 1.031 115 S CA 0.704 58.934 58.200 0.050 0.000 0.993 115 S CB -0.303 62.944 63.200 0.080 0.000 0.859 115 S HN 0.154 nan 8.310 nan 0.000 0.453 116 L N 1.932 123.186 121.223 0.052 0.000 2.013 116 L HA -0.066 4.273 4.340 -0.001 0.000 0.212 116 L C 2.108 178.993 176.870 0.025 0.000 1.073 116 L CA 1.544 56.408 54.840 0.039 0.000 0.753 116 L CB -0.863 41.218 42.059 0.036 0.000 0.890 116 L HN 0.317 nan 8.230 nan 0.000 0.432 117 L N -0.264 120.973 121.223 0.024 0.000 2.046 117 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 117 L C 2.481 179.351 176.870 -0.000 0.000 1.077 117 L CA 2.110 56.956 54.840 0.011 0.000 0.747 117 L CB -1.022 41.045 42.059 0.014 0.000 0.896 117 L HN 0.284 nan 8.230 nan 0.000 0.432 118 A N -0.420 122.404 122.820 0.006 0.000 1.877 118 A HA -0.265 4.054 4.320 -0.001 0.000 0.216 118 A C 2.354 179.938 177.584 -0.000 0.000 1.186 118 A CA 2.009 54.047 52.037 0.001 0.000 0.620 118 A CB -0.683 18.322 19.000 0.007 0.000 0.822 118 A HN 0.447 nan 8.150 nan 0.000 0.443 119 K N -0.264 120.141 120.400 0.009 0.000 2.057 119 K HA -0.093 4.227 4.320 -0.001 0.000 0.207 119 K C 1.928 178.521 176.600 -0.011 0.000 1.049 119 K CA 2.287 58.580 56.287 0.011 0.000 0.931 119 K CB -0.999 31.518 32.500 0.027 0.000 0.714 119 K HN 0.410 nan 8.250 nan 0.000 0.440 120 T N 0.518 115.061 114.554 -0.019 0.000 2.720 120 T HA -0.119 4.230 4.350 -0.001 0.000 0.268 120 T C 1.848 176.494 174.700 -0.089 0.000 1.037 120 T CA 1.663 63.731 62.100 -0.053 0.000 1.144 120 T CB -0.190 68.651 68.868 -0.046 0.000 0.864 120 T HN 0.296 nan 8.240 nan 0.000 0.444 121 R N 0.735 121.193 120.500 -0.070 0.000 2.092 121 R HA 0.107 4.447 4.340 -0.001 0.000 0.231 121 R C 2.834 179.092 176.300 -0.070 0.000 1.119 121 R CA 1.080 57.133 56.100 -0.080 0.000 0.970 121 R CB -0.419 29.847 30.300 -0.056 0.000 0.864 121 R HN 0.354 nan 8.270 nan 0.000 0.440 122 A N 1.300 124.093 122.820 -0.046 0.000 1.908 122 A HA -0.147 4.172 4.320 -0.001 0.000 0.218 122 A C 2.146 179.697 177.584 -0.055 0.000 1.181 122 A CA 1.206 53.220 52.037 -0.038 0.000 0.627 122 A CB -0.557 18.437 19.000 -0.010 0.000 0.818 122 A HN 0.182 nan 8.150 nan 0.000 0.445 123 L N -0.263 120.924 121.223 -0.062 0.000 2.083 123 L HA -0.211 4.129 4.340 -0.001 0.000 0.209 123 L C 2.390 179.199 176.870 -0.102 0.000 1.083 123 L CA 1.222 56.017 54.840 -0.075 0.000 0.752 123 L CB -0.644 41.373 42.059 -0.071 0.000 0.899 123 L HN 0.423 nan 8.230 nan 0.000 0.433 124 N N -0.081 118.540 118.700 -0.131 0.000 2.084 124 N HA -0.210 4.530 4.740 -0.001 0.000 0.190 124 N C 1.789 177.234 175.510 -0.109 0.000 1.030 124 N CA 1.270 54.227 53.050 -0.154 0.000 0.849 124 N CB -0.093 38.274 38.487 -0.199 0.000 1.012 124 N HN 0.406 nan 8.380 nan 0.000 0.423 125 E N 0.936 121.081 120.200 -0.090 0.000 2.110 125 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 125 E C 1.252 177.810 176.600 -0.071 0.000 0.988 125 E CA 0.791 57.147 56.400 -0.073 0.000 0.804 125 E CB 0.101 29.764 29.700 -0.063 0.000 0.745 125 E HN 0.418 nan 8.360 nan 0.000 0.458 126 E N -1.519 118.637 120.200 -0.073 0.000 2.347 126 E HA -0.069 4.281 4.350 -0.001 0.000 0.196 126 E C 1.155 177.714 176.600 -0.068 0.000 1.008 126 E CA 0.525 56.882 56.400 -0.072 0.000 0.852 126 E CB 0.394 30.051 29.700 -0.071 0.000 0.783 126 E HN 0.410 nan 8.360 nan 0.000 0.505 127 G N 0.743 109.502 108.800 -0.070 0.000 2.813 127 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.194 127 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.194 127 G C 0.382 175.247 174.900 -0.058 0.000 1.010 127 G CA 0.022 45.086 45.100 -0.060 0.000 0.771 127 G HN 0.236 nan 8.290 nan 0.000 0.485 128 I N -0.787 119.740 120.570 -0.072 0.000 3.830 128 I HA 0.900 5.069 4.170 -0.001 0.000 0.272 128 I C 0.014 176.065 176.117 -0.110 0.000 1.333 128 I CA -1.159 60.100 61.300 -0.067 0.000 1.006 128 I CB 1.639 39.604 38.000 -0.057 0.000 1.472 128 I HN -0.055 nan 8.210 nan 0.000 0.604 129 S N 0.823 116.456 115.700 -0.113 0.000 2.478 129 S HA 0.832 5.302 4.470 -0.001 0.000 0.312 129 S C -0.623 173.772 174.600 -0.341 0.000 1.094 129 S CA -0.568 57.464 58.200 -0.281 0.000 1.081 129 S CB 1.463 64.571 63.200 -0.153 0.000 1.007 129 S HN 0.890 nan 8.310 nan 0.000 0.475 130 A N 3.113 125.556 122.820 -0.628 0.000 2.486 130 A HA 0.845 5.165 4.320 -0.001 0.000 0.300 130 A C -1.406 175.837 177.584 -0.567 0.000 1.048 130 A CA -0.752 51.062 52.037 -0.371 0.000 0.696 130 A CB 1.290 20.175 19.000 -0.191 0.000 1.278 130 A HN 0.783 nan 8.150 nan 0.000 0.405 131 W N 0.632 121.934 121.300 0.002 0.000 3.205 131 W HA 0.733 5.393 4.660 -0.000 0.000 0.336 131 W C -0.265 176.249 176.519 -0.008 0.000 1.171 131 W CA -0.483 56.861 57.345 -0.002 0.000 1.035 131 W CB 2.006 31.465 29.460 -0.000 0.000 1.500 131 W HN 0.953 nan 8.180 nan 0.000 0.602 132 M N 0.299 120.041 119.600 0.237 0.000 2.721 132 M HA 0.654 5.134 4.480 -0.001 0.000 0.271 132 M C -2.140 174.207 176.300 0.079 0.000 1.259 132 M CA -0.933 54.434 55.300 0.111 0.000 0.835 132 M CB 2.463 35.100 32.600 0.061 0.000 1.689 132 M HN 0.209 nan 8.290 nan 0.000 0.470 133 L N 0.870 122.109 121.223 0.027 0.000 2.325 133 L HA 0.629 4.969 4.340 -0.001 0.000 0.278 133 L C 0.219 177.091 176.870 0.003 0.000 1.023 133 L CA -0.758 54.084 54.840 0.003 0.000 0.811 133 L CB 1.875 43.918 42.059 -0.027 0.000 1.249 133 L HN 0.908 nan 8.230 nan 0.000 0.431 134 T N 0.850 115.405 114.554 0.002 0.000 2.810 134 T HA 0.650 4.999 4.350 -0.001 0.000 0.277 134 T C 0.409 175.110 174.700 0.002 0.000 0.973 134 T CA 0.789 62.893 62.100 0.007 0.000 0.949 134 T CB 1.177 70.051 68.868 0.010 0.000 1.075 134 T HN 0.981 nan 8.240 nan 0.000 0.537 135 G N 0.369 109.177 108.800 0.013 0.000 2.642 135 G HA2 0.385 4.344 3.960 -0.001 0.000 0.231 135 G HA3 0.385 4.344 3.960 -0.001 0.000 0.231 135 G C -0.108 174.816 174.900 0.040 0.000 1.338 135 G CA -0.214 44.901 45.100 0.025 0.000 0.883 135 G HN 1.839 nan 8.290 nan 0.000 0.570 136 A N -3.665 119.202 122.820 0.079 0.000 2.775 136 A HA 0.692 5.011 4.320 -0.001 0.000 0.305 136 A C 0.602 178.338 177.584 0.254 0.000 1.082 136 A CA 0.620 52.739 52.037 0.138 0.000 0.591 136 A CB -0.671 18.375 19.000 0.076 0.000 1.472 136 A HN 1.509 nan 8.150 nan 0.000 0.636 137 F N 1.315 121.264 119.950 -0.002 0.000 2.120 137 F HA -0.078 4.449 4.527 -0.001 0.000 0.300 137 F C 1.580 177.376 175.800 -0.007 0.000 1.095 137 F CA 1.839 59.824 58.000 -0.026 0.000 1.249 137 F CB -0.756 38.195 39.000 -0.082 0.000 0.995 137 F HN 0.583 nan 8.300 nan 0.000 0.480 138 H N 0.724 119.879 119.070 0.141 0.000 3.034 138 H HA 0.205 4.760 4.556 -0.001 0.000 0.324 138 H C -0.830 174.514 175.328 0.027 0.000 1.015 138 H CA 0.417 56.499 56.048 0.057 0.000 1.429 138 H CB 0.728 30.505 29.762 0.024 0.000 1.429 138 H HN -0.182 nan 8.280 nan 0.000 0.585 139 V N 8.380 128.088 119.914 -0.343 0.000 2.577 139 V HA 0.203 4.322 4.120 -0.001 0.000 0.303 139 V C -2.088 173.829 176.094 -0.294 0.000 1.042 139 V CA -1.591 60.613 62.300 -0.161 0.000 0.872 139 V CB 1.863 33.620 31.823 -0.110 0.000 0.998 139 V HN 0.752 nan 8.190 nan 0.000 0.423 140 P HA 0.220 nan 4.420 nan 0.000 0.269 140 P C -0.131 177.301 177.300 0.220 0.000 1.215 140 P CA -0.016 63.165 63.100 0.135 0.000 0.780 140 P CB 0.431 32.240 31.700 0.180 0.000 0.898 141 S N 1.930 117.706 115.700 0.127 0.000 2.568 141 S HA 0.128 4.597 4.470 -0.001 0.000 0.282 141 S C 0.418 175.072 174.600 0.091 0.000 1.338 141 S CA -0.296 57.967 58.200 0.106 0.000 1.045 141 S CB 0.020 63.246 63.200 0.045 0.000 0.873 141 S HN 0.270 nan 8.310 nan 0.000 0.516 142 R N 1.998 122.536 120.500 0.063 0.000 2.202 142 R HA 0.368 4.707 4.340 -0.001 0.000 0.334 142 R C 0.466 176.779 176.300 0.022 0.000 1.036 142 R CA -0.258 55.851 56.100 0.016 0.000 0.878 142 R CB 0.753 31.032 30.300 -0.036 0.000 1.067 142 R HN 0.802 nan 8.270 nan 0.000 0.457 143 T N -1.484 113.084 114.554 0.024 0.000 2.883 143 T HA 0.429 4.779 4.350 -0.001 0.000 0.284 143 T C 1.228 175.946 174.700 0.029 0.000 1.041 143 T CA -0.889 61.225 62.100 0.025 0.000 1.007 143 T CB 1.004 69.885 68.868 0.022 0.000 1.220 143 T HN 0.332 nan 8.240 nan 0.000 0.552 144 I N 0.775 121.361 120.570 0.027 0.000 2.339 144 I HA -0.008 4.162 4.170 -0.001 0.000 0.245 144 I C 2.674 178.803 176.117 0.021 0.000 1.096 144 I CA 1.369 62.685 61.300 0.027 0.000 1.408 144 I CB -0.194 37.821 38.000 0.025 0.000 1.092 144 I HN 0.937 nan 8.210 nan 0.000 0.423 145 T N -2.490 112.076 114.554 0.019 0.000 3.086 145 T HA 0.353 4.703 4.350 -0.001 0.000 0.250 145 T C 1.446 176.156 174.700 0.017 0.000 1.074 145 T CA 0.435 62.545 62.100 0.016 0.000 0.988 145 T CB 0.660 69.536 68.868 0.014 0.000 0.988 145 T HN 0.527 nan 8.240 nan 0.000 0.530 146 G N 0.305 109.117 108.800 0.020 0.000 2.194 146 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.236 146 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.236 146 G C 0.096 175.010 174.900 0.022 0.000 0.987 146 G CA 0.108 45.221 45.100 0.022 0.000 0.635 146 G HN 1.101 nan 8.290 nan 0.000 0.520 147 S N -1.191 114.520 115.700 0.018 0.000 2.548 147 S HA 0.610 5.079 4.470 -0.001 0.000 0.276 147 S C 1.218 175.824 174.600 0.010 0.000 1.129 147 S CA 0.289 58.498 58.200 0.015 0.000 0.931 147 S CB 1.980 65.188 63.200 0.013 0.000 1.068 147 S HN 0.701 nan 8.310 nan 0.000 0.480 148 V N 4.417 124.334 119.914 0.005 0.000 2.307 148 V HA -0.087 4.033 4.120 -0.001 0.000 0.245 148 V C 2.531 178.621 176.094 -0.006 0.000 1.045 148 V CA 2.362 64.660 62.300 -0.003 0.000 1.024 148 V CB -0.725 31.089 31.823 -0.014 0.000 0.651 148 V HN 1.000 nan 8.190 nan 0.000 0.449 149 E N 0.257 120.453 120.200 -0.007 0.000 2.038 149 E HA -0.320 4.030 4.350 -0.001 0.000 0.195 149 E C 2.304 178.904 176.600 -0.001 0.000 1.000 149 E CA 1.925 58.321 56.400 -0.006 0.000 0.803 149 E CB -0.107 29.590 29.700 -0.005 0.000 0.750 149 E HN 0.523 nan 8.360 nan 0.000 0.448 150 K N 0.187 120.589 120.400 0.004 0.000 2.057 150 K HA -0.187 4.133 4.320 -0.001 0.000 0.207 150 K C 1.769 178.374 176.600 0.008 0.000 1.049 150 K CA 1.927 58.218 56.287 0.007 0.000 0.931 150 K CB 0.001 32.506 32.500 0.009 0.000 0.714 150 K HN 0.083 nan 8.250 nan 0.000 0.440 151 D N -0.156 120.249 120.400 0.009 0.000 2.104 151 D HA -0.158 4.482 4.640 -0.001 0.000 0.194 151 D C 1.801 178.108 176.300 0.012 0.000 0.994 151 D CA 1.283 55.290 54.000 0.012 0.000 0.830 151 D CB -0.131 40.676 40.800 0.012 0.000 0.959 151 D HN 0.008 nan 8.370 nan 0.000 0.452 152 V N 0.742 120.659 119.914 0.006 0.000 2.427 152 V HA -0.177 3.942 4.120 -0.001 0.000 0.248 152 V C 2.353 178.451 176.094 0.006 0.000 1.051 152 V CA 1.691 63.993 62.300 0.004 0.000 1.048 152 V CB -0.732 31.084 31.823 -0.010 0.000 0.666 152 V HN 0.202 nan 8.190 nan 0.000 0.456 153 A N 0.557 123.380 122.820 0.004 0.000 1.897 153 A HA -0.057 4.263 4.320 -0.001 0.000 0.215 153 A C 2.123 179.714 177.584 0.012 0.000 1.181 153 A CA 1.897 53.937 52.037 0.006 0.000 0.620 153 A CB -0.356 18.646 19.000 0.003 0.000 0.821 153 A HN 0.700 nan 8.150 nan 0.000 0.443 154 I N -4.085 116.493 120.570 0.013 0.000 4.070 154 I HA 0.346 4.515 4.170 -0.001 0.000 0.328 154 I C -0.416 175.712 176.117 0.019 0.000 1.298 154 I CA -0.232 61.077 61.300 0.015 0.000 1.173 154 I CB 0.365 38.372 38.000 0.012 0.000 1.051 154 I HN -0.108 nan 8.210 nan 0.000 0.409 155 I N 4.583 125.167 120.570 0.023 0.000 2.301 155 I HA 0.059 4.229 4.170 -0.001 0.000 0.292 155 I C 1.115 177.256 176.117 0.041 0.000 1.046 155 I CA -0.049 61.267 61.300 0.027 0.000 1.282 155 I CB 0.743 38.758 38.000 0.026 0.000 1.409 155 I HN 0.340 nan 8.210 nan 0.000 0.484 156 D N 7.268 127.691 120.400 0.039 0.000 2.154 156 D HA -0.281 4.359 4.640 -0.001 0.000 0.190 156 D C 1.257 177.619 176.300 0.104 0.000 1.003 156 D CA 1.688 55.723 54.000 0.058 0.000 0.849 156 D CB 0.030 40.853 40.800 0.039 0.000 0.942 156 D HN 0.315 nan 8.370 nan 0.000 0.446 157 R N 0.141 120.690 120.500 0.081 0.000 2.307 157 R HA 0.213 4.552 4.340 -0.001 0.000 0.199 157 R C 0.134 176.551 176.300 0.195 0.000 1.000 157 R CA -0.238 55.936 56.100 0.124 0.000 1.023 157 R CB -0.760 29.548 30.300 0.012 0.000 0.908 157 R HN 0.212 nan 8.270 nan 0.000 0.473 158 V N 2.897 122.886 119.914 0.125 0.000 2.461 158 V HA 0.128 4.248 4.120 -0.001 0.000 0.275 158 V C 1.565 177.710 176.094 0.084 0.000 1.047 158 V CA -0.175 62.182 62.300 0.095 0.000 0.955 158 V CB 1.273 33.126 31.823 0.051 0.000 0.988 158 V HN 0.207 nan 8.190 nan 0.000 0.471 159 I N 1.635 122.242 120.570 0.060 0.000 4.139 159 I HA 0.730 4.899 4.170 -0.001 0.000 0.335 159 I C 0.683 176.774 176.117 -0.044 0.000 1.327 159 I CA 0.330 61.623 61.300 -0.012 0.000 1.112 159 I CB 0.596 38.546 38.000 -0.082 0.000 1.058 159 I HN 0.664 nan 8.210 nan 0.000 0.396 160 G N 0.569 109.353 108.800 -0.026 0.000 2.335 160 G HA2 0.435 4.395 3.960 -0.001 0.000 0.291 160 G HA3 0.435 4.395 3.960 -0.001 0.000 0.291 160 G C -1.863 173.014 174.900 -0.039 0.000 1.261 160 G CA 0.188 45.262 45.100 -0.043 0.000 0.871 160 G HN 0.041 nan 8.290 nan 0.000 0.491 164 A N 0.899 123.592 122.820 -0.211 0.000 2.414 164 A HA 0.975 5.295 4.320 -0.001 0.000 0.306 164 A C -0.718 176.790 177.584 -0.127 0.000 1.054 164 A CA -0.223 51.597 52.037 -0.360 0.000 0.724 164 A CB 1.049 19.360 19.000 -1.148 0.000 1.267 164 A HN 2.218 nan 8.150 nan 0.000 0.418 165 I N -2.081 118.474 120.570 -0.025 0.000 3.095 165 I HA 0.716 4.885 4.170 -0.001 0.000 0.310 165 I C 0.091 176.204 176.117 -0.006 0.000 1.196 165 I CA -0.834 60.467 61.300 0.001 0.000 0.985 165 I CB 1.996 40.021 38.000 0.042 0.000 1.250 165 I HN 0.663 nan 8.210 nan 0.000 0.446 166 S N 1.393 117.088 115.700 -0.009 0.000 3.559 166 S HA -0.188 4.281 4.470 -0.001 0.000 0.369 166 S C -0.457 174.162 174.600 0.032 0.000 0.987 166 S CA 1.377 59.578 58.200 0.002 0.000 1.187 166 S CB -1.559 61.627 63.200 -0.023 0.000 0.914 166 S HN 0.968 nan 8.310 nan 0.000 0.480 167 D N -0.920 119.500 120.400 0.034 0.000 2.859 167 D HA 0.265 4.904 4.640 -0.001 0.000 0.223 167 D C 0.629 176.936 176.300 0.012 0.000 1.218 167 D CA -0.595 53.438 54.000 0.054 0.000 0.850 167 D CB 0.957 41.789 40.800 0.053 0.000 1.656 167 D HN 0.400 nan 8.370 nan 0.000 0.484 168 H N 1.428 120.541 119.070 0.070 0.000 2.567 168 H HA 0.185 4.740 4.556 -0.001 0.000 0.276 168 H C 0.845 176.217 175.328 0.073 0.000 1.016 168 H CA 0.810 56.893 56.048 0.057 0.000 1.186 168 H CB 0.125 29.916 29.762 0.048 0.000 1.351 168 H HN 0.070 nan 8.280 nan 0.000 0.605 169 R N 0.900 121.146 120.500 -0.422 0.000 2.393 169 R HA 0.137 4.476 4.340 -0.001 0.000 0.244 169 R C 0.333 176.652 176.300 0.032 0.000 0.920 169 R CA 0.319 56.326 56.100 -0.155 0.000 1.076 169 R CB 0.601 30.856 30.300 -0.075 0.000 1.119 169 R HN 0.417 nan 8.270 nan 0.000 0.524 170 S N -0.457 115.221 115.700 -0.037 0.000 2.641 170 S HA 0.289 4.759 4.470 -0.001 0.000 0.261 170 S C 1.028 175.610 174.600 -0.029 0.000 1.257 170 S CA -0.286 57.888 58.200 -0.042 0.000 0.983 170 S CB 1.503 64.661 63.200 -0.070 0.000 0.990 170 S HN 0.160 nan 8.310 nan 0.000 0.572 171 A N -0.274 122.490 122.820 -0.093 0.000 2.423 171 A HA 0.674 4.994 4.320 -0.001 0.000 0.246 171 A C 1.209 178.709 177.584 -0.141 0.000 1.278 171 A CA 0.235 52.167 52.037 -0.174 0.000 0.903 171 A CB -1.470 17.237 19.000 -0.487 0.000 0.997 171 A HN 2.294 nan 8.150 nan 0.000 0.510 172 A N 0.186 122.957 122.820 -0.082 0.000 2.791 172 A HA -0.091 4.229 4.320 -0.001 0.000 0.292 172 A C -1.431 176.110 177.584 -0.072 0.000 1.487 172 A CA 0.414 52.417 52.037 -0.055 0.000 0.760 172 A CB -2.297 16.680 19.000 -0.038 0.000 1.031 172 A HN 0.543 nan 8.150 nan 0.000 0.503 173 P HA 0.398 nan 4.420 nan 0.000 0.269 173 P C -0.150 177.156 177.300 0.010 0.000 1.209 173 P CA 0.337 63.399 63.100 -0.063 0.000 0.776 173 P CB 0.606 32.288 31.700 -0.029 0.000 0.876 174 D N 0.714 121.152 120.400 0.064 0.000 2.432 174 D HA 0.001 4.641 4.640 -0.001 0.000 0.258 174 D C 1.134 177.528 176.300 0.156 0.000 1.146 174 D CA -0.885 53.189 54.000 0.124 0.000 1.015 174 D CB 0.313 41.219 40.800 0.177 0.000 1.107 174 D HN 0.086 nan 8.370 nan 0.000 0.529 175 V N 0.445 120.441 119.914 0.138 0.000 2.407 175 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 175 V C 1.906 178.080 176.094 0.134 0.000 1.055 175 V CA 1.675 64.047 62.300 0.120 0.000 1.049 175 V CB -1.051 30.833 31.823 0.101 0.000 0.662 175 V HN 0.612 nan 8.190 nan 0.000 0.455 176 Y N 1.112 121.450 120.300 0.062 0.000 2.181 176 Y HA -0.265 4.285 4.550 -0.001 0.000 0.288 176 Y C 2.346 178.205 175.900 -0.069 0.000 1.146 176 Y CA 2.407 60.498 58.100 -0.015 0.000 1.164 176 Y CB -0.697 37.723 38.460 -0.068 0.000 0.982 176 Y HN 0.569 nan 8.280 nan 0.000 0.515 177 H N -0.499 118.486 119.070 -0.142 0.000 2.387 177 H HA -0.124 4.432 4.556 -0.001 0.000 0.299 177 H C 2.278 177.492 175.328 -0.189 0.000 1.090 177 H CA 2.113 58.030 56.048 -0.219 0.000 1.332 177 H CB -0.314 29.415 29.762 -0.057 0.000 1.386 177 H HN 0.332 nan 8.280 nan 0.000 0.516 178 L N -0.494 120.742 121.223 0.022 0.000 2.027 178 L HA -0.126 4.213 4.340 -0.001 0.000 0.206 178 L C 2.711 179.568 176.870 -0.022 0.000 1.074 178 L CA 0.866 55.724 54.840 0.030 0.000 0.745 178 L CB -0.499 41.625 42.059 0.109 0.000 0.898 178 L HN 0.342 nan 8.230 nan 0.000 0.433 179 A N 0.526 123.310 122.820 -0.060 0.000 1.877 179 A HA -0.289 4.031 4.320 -0.001 0.000 0.216 179 A C 2.020 179.518 177.584 -0.145 0.000 1.186 179 A CA 2.302 54.304 52.037 -0.058 0.000 0.620 179 A CB -0.867 18.126 19.000 -0.012 0.000 0.822 179 A HN 0.516 nan 8.150 nan 0.000 0.443 180 N N -0.579 117.909 118.700 -0.353 0.000 2.069 180 N HA -0.201 4.538 4.740 -0.001 0.000 0.191 180 N C 1.823 177.225 175.510 -0.180 0.000 1.031 180 N CA 2.183 55.023 53.050 -0.349 0.000 0.852 180 N CB -0.337 37.716 38.487 -0.724 0.000 1.018 180 N HN 0.539 nan 8.380 nan 0.000 0.423 181 M N -0.266 119.240 119.600 -0.156 0.000 2.086 181 M HA -0.113 4.367 4.480 -0.001 0.000 0.261 181 M C 1.967 178.224 176.300 -0.071 0.000 1.067 181 M CA 1.879 57.124 55.300 -0.091 0.000 1.116 181 M CB -0.239 32.316 32.600 -0.075 0.000 1.348 181 M HN 0.293 nan 8.290 nan 0.000 0.407 182 A N 0.286 123.075 122.820 -0.052 0.000 1.933 182 A HA -0.066 4.254 4.320 -0.001 0.000 0.218 182 A C 2.299 179.874 177.584 -0.016 0.000 1.175 182 A CA 1.944 53.968 52.037 -0.021 0.000 0.628 182 A CB -1.161 17.871 19.000 0.054 0.000 0.814 182 A HN 0.689 nan 8.150 nan 0.000 0.444 183 A N -0.412 122.394 122.820 -0.023 0.000 1.933 183 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 183 A C 1.955 179.526 177.584 -0.021 0.000 1.175 183 A CA 1.559 53.586 52.037 -0.016 0.000 0.628 183 A CB -0.446 18.544 19.000 -0.016 0.000 0.814 183 A HN 0.631 nan 8.150 nan 0.000 0.444 184 E N -0.658 119.522 120.200 -0.034 0.000 2.047 184 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 184 E C 2.309 178.894 176.600 -0.026 0.000 0.987 184 E CA 1.162 57.545 56.400 -0.028 0.000 0.799 184 E CB -0.231 29.450 29.700 -0.032 0.000 0.752 184 E HN 0.568 nan 8.360 nan 0.000 0.449 185 S N 0.588 116.267 115.700 -0.034 0.000 2.359 185 S HA -0.201 4.269 4.470 -0.001 0.000 0.224 185 S C 2.034 176.614 174.600 -0.033 0.000 1.035 185 S CA 1.117 59.294 58.200 -0.037 0.000 1.018 185 S CB -0.098 63.072 63.200 -0.050 0.000 0.876 185 S HN 0.106 nan 8.310 nan 0.000 0.448 186 R N 0.848 121.332 120.500 -0.027 0.000 2.080 186 R HA -0.061 4.279 4.340 -0.001 0.000 0.236 186 R C 2.192 178.478 176.300 -0.023 0.000 1.137 186 R CA 1.988 58.073 56.100 -0.024 0.000 0.943 186 R CB -1.231 29.063 30.300 -0.010 0.000 0.846 186 R HN 0.430 nan 8.270 nan 0.000 0.431 187 V N 0.182 120.086 119.914 -0.017 0.000 2.358 187 V HA -0.140 3.980 4.120 -0.001 0.000 0.246 187 V C 2.484 178.570 176.094 -0.014 0.000 1.047 187 V CA 1.923 64.216 62.300 -0.013 0.000 1.035 187 V CB -1.047 30.772 31.823 -0.007 0.000 0.658 187 V HN 0.585 nan 8.190 nan 0.000 0.452 188 G N 0.038 108.829 108.800 -0.015 0.000 2.432 188 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.219 188 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.219 188 G C 1.585 176.475 174.900 -0.017 0.000 1.135 188 G CA 0.956 46.048 45.100 -0.013 0.000 0.767 188 G HN 0.588 nan 8.290 nan 0.000 0.550 189 G N 0.714 109.497 108.800 -0.027 0.000 2.403 189 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.216 189 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.216 189 G C 1.778 176.658 174.900 -0.033 0.000 1.154 189 G CA 0.549 45.627 45.100 -0.037 0.000 0.784 189 G HN 0.423 nan 8.290 nan 0.000 0.538 190 L N -0.027 121.179 121.223 -0.028 0.000 2.046 190 L HA -0.018 4.321 4.340 -0.001 0.000 0.208 190 L C 2.886 179.747 176.870 -0.015 0.000 1.077 190 L CA 0.670 55.497 54.840 -0.023 0.000 0.747 190 L CB -0.429 41.619 42.059 -0.018 0.000 0.896 190 L HN 0.182 nan 8.230 nan 0.000 0.432 191 L N -0.541 120.675 121.223 -0.011 0.000 2.056 191 L HA -0.099 4.241 4.340 -0.001 0.000 0.207 191 L C 2.430 179.298 176.870 -0.003 0.000 1.078 191 L CA 1.401 56.237 54.840 -0.006 0.000 0.749 191 L CB -0.938 41.119 42.059 -0.003 0.000 0.901 191 L HN 0.322 nan 8.230 nan 0.000 0.433 192 G N -1.456 107.341 108.800 -0.005 0.000 2.939 192 G HA2 0.241 4.201 3.960 -0.001 0.000 0.210 192 G HA3 0.241 4.201 3.960 -0.001 0.000 0.210 192 G C 1.130 176.030 174.900 0.000 0.000 1.160 192 G CA 0.439 45.540 45.100 0.002 0.000 0.770 192 G HN 0.508 nan 8.290 nan 0.000 0.543 193 G N 0.213 109.006 108.800 -0.012 0.000 2.212 193 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.255 193 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.255 193 G C 0.132 175.013 174.900 -0.032 0.000 1.062 193 G CA 0.238 45.328 45.100 -0.017 0.000 0.815 193 G HN 0.492 nan 8.290 nan 0.000 0.497 194 K N -0.867 119.506 120.400 -0.046 0.000 2.350 194 K HA 0.547 4.866 4.320 -0.001 0.000 0.241 194 K C -1.668 174.868 176.600 -0.107 0.000 0.994 194 K CA -1.889 54.353 56.287 -0.075 0.000 0.839 194 K CB 1.925 34.393 32.500 -0.052 0.000 1.244 194 K HN -0.089 nan 8.250 nan 0.000 0.443 195 P HA -0.127 nan 4.420 nan 0.000 0.218 195 P C 0.533 177.734 177.300 -0.166 0.000 1.148 195 P CA 1.375 64.352 63.100 -0.205 0.000 0.822 195 P CB 0.079 31.594 31.700 -0.308 0.000 0.784 196 G N 0.015 108.739 108.800 -0.126 0.000 2.298 196 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.287 196 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.287 196 G C 0.167 175.012 174.900 -0.091 0.000 1.075 196 G CA 0.153 45.200 45.100 -0.088 0.000 0.960 196 G HN 0.534 nan 8.290 nan 0.000 0.502 197 V N -2.934 116.914 119.914 -0.109 0.000 3.134 197 V HA 0.942 5.062 4.120 -0.001 0.000 0.313 197 V C 0.496 176.565 176.094 -0.042 0.000 1.069 197 V CA -0.256 62.005 62.300 -0.066 0.000 1.048 197 V CB 1.913 33.697 31.823 -0.065 0.000 1.119 197 V HN 0.431 nan 8.190 nan 0.000 0.461 198 T N 1.867 116.411 114.554 -0.016 0.000 2.809 198 T HA 0.597 4.947 4.350 -0.001 0.000 0.284 198 T C -0.591 173.985 174.700 -0.207 0.000 0.992 198 T CA -0.291 61.696 62.100 -0.189 0.000 0.957 198 T CB 1.358 70.058 68.868 -0.281 0.000 0.942 198 T HN 0.685 nan 8.240 nan 0.000 0.439 199 V N 4.538 124.285 119.914 -0.278 0.000 2.370 199 V HA 0.517 4.637 4.120 -0.001 0.000 0.283 199 V C -0.896 175.024 176.094 -0.289 0.000 1.023 199 V CA -0.799 61.421 62.300 -0.132 0.000 0.857 199 V CB 0.686 32.502 31.823 -0.013 0.000 0.985 199 V HN 0.783 nan 8.190 nan 0.000 0.443 200 F N 3.226 123.145 119.950 -0.052 0.000 2.388 200 F HA 0.393 4.920 4.527 -0.001 0.000 0.358 200 F C 0.462 176.212 175.800 -0.083 0.000 1.122 200 F CA -0.729 57.224 58.000 -0.078 0.000 1.056 200 F CB 0.729 39.644 39.000 -0.142 0.000 1.155 200 F HN 0.641 nan 8.300 nan 0.000 0.461 201 H N 4.294 123.365 119.070 0.002 0.000 2.975 201 H HA 0.283 4.839 4.556 -0.001 0.000 0.303 201 H C -0.570 174.758 175.328 0.000 0.000 1.023 201 H CA -0.438 55.622 56.048 0.020 0.000 1.473 201 H CB 0.542 30.222 29.762 -0.136 0.000 1.498 201 H HN 0.369 nan 8.280 nan 0.000 0.549 202 M N 4.867 124.281 119.600 -0.311 0.000 2.264 202 M HA 0.314 4.793 4.480 -0.001 0.000 0.352 202 M C 0.834 176.924 176.300 -0.350 0.000 1.173 202 M CA -0.306 54.855 55.300 -0.231 0.000 1.075 202 M CB 1.415 33.922 32.600 -0.155 0.000 1.621 202 M HN 0.882 nan 8.290 nan 0.000 0.457 203 G N 1.113 109.853 108.800 -0.099 0.000 2.857 203 G HA2 0.389 4.348 3.960 -0.001 0.000 0.217 203 G HA3 0.389 4.348 3.960 -0.001 0.000 0.217 203 G C -0.181 174.732 174.900 0.021 0.000 1.357 203 G CA -0.377 44.734 45.100 0.018 0.000 1.033 203 G HN 0.633 nan 8.290 nan 0.000 0.571 204 D N 0.008 120.452 120.400 0.074 0.000 2.325 204 D HA 0.112 4.752 4.640 -0.001 0.000 0.225 204 D C 1.217 177.546 176.300 0.047 0.000 1.096 204 D CA 0.138 54.170 54.000 0.053 0.000 0.844 204 D CB 0.438 41.273 40.800 0.058 0.000 0.925 204 D HN 0.196 nan 8.370 nan 0.000 0.513 205 S N 0.416 116.145 115.700 0.048 0.000 2.560 205 S HA 0.001 4.471 4.470 -0.001 0.000 0.284 205 S C 1.331 175.943 174.600 0.020 0.000 1.327 205 S CA -0.197 58.025 58.200 0.037 0.000 1.055 205 S CB 1.196 64.416 63.200 0.035 0.000 0.868 205 S HN -0.056 nan 8.310 nan 0.000 0.506 206 K N 2.749 123.160 120.400 0.019 0.000 2.280 206 K HA -0.032 4.287 4.320 -0.001 0.000 0.202 206 K C 1.829 178.436 176.600 0.011 0.000 1.047 206 K CA 1.173 57.469 56.287 0.015 0.000 0.942 206 K CB -0.022 32.486 32.500 0.014 0.000 0.739 206 K HN 0.585 nan 8.250 nan 0.000 0.457 207 K N 0.498 120.904 120.400 0.009 0.000 2.283 207 K HA -0.056 4.264 4.320 -0.001 0.000 0.202 207 K C 1.179 177.777 176.600 -0.004 0.000 1.048 207 K CA 0.530 56.821 56.287 0.006 0.000 0.948 207 K CB -0.209 32.293 32.500 0.004 0.000 0.742 207 K HN 0.213 nan 8.250 nan 0.000 0.458 208 A N 1.311 124.122 122.820 -0.015 0.000 5.324 208 A HA -0.330 3.990 4.320 -0.001 0.000 0.337 208 A C 1.215 178.745 177.584 -0.089 0.000 1.730 208 A CA 1.786 53.799 52.037 -0.041 0.000 0.711 208 A CB -1.483 17.506 19.000 -0.019 0.000 1.434 208 A HN 0.252 nan 8.150 nan 0.000 0.400 209 L N -0.168 120.992 121.223 -0.103 0.000 2.552 209 L HA -0.110 4.229 4.340 -0.001 0.000 0.227 209 L C 2.480 179.243 176.870 -0.180 0.000 1.146 209 L CA 1.304 56.000 54.840 -0.240 0.000 0.858 209 L CB -0.511 41.358 42.059 -0.316 0.000 0.969 209 L HN 0.791 nan 8.230 nan 0.000 0.451 210 Q N 1.310 121.118 119.800 0.012 0.000 2.082 210 Q HA -0.208 4.131 4.340 -0.001 0.000 0.211 210 Q C -0.623 175.380 176.000 0.005 0.000 1.002 210 Q CA 2.433 58.293 55.803 0.094 0.000 0.868 210 Q CB -1.320 27.455 28.738 0.063 0.000 0.931 210 Q HN 0.265 nan 8.270 nan 0.000 0.414 211 P HA -0.144 nan 4.420 nan 0.000 0.217 211 P C 0.992 178.192 177.300 -0.166 0.000 1.148 211 P CA 1.334 64.383 63.100 -0.084 0.000 0.828 211 P CB -0.191 31.462 31.700 -0.077 0.000 0.783 212 I N -2.611 117.734 120.570 -0.374 0.000 2.252 212 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 212 I C 2.299 178.232 176.117 -0.306 0.000 1.102 212 I CA 1.523 62.506 61.300 -0.529 0.000 1.385 212 I CB -0.834 36.612 38.000 -0.924 0.000 1.064 212 I HN -0.094 nan 8.210 nan 0.000 0.414 213 Y N 1.401 121.648 120.300 -0.089 0.000 2.181 213 Y HA -0.248 4.302 4.550 -0.001 0.000 0.288 213 Y C 2.392 178.287 175.900 -0.009 0.000 1.146 213 Y CA 1.109 59.198 58.100 -0.018 0.000 1.164 213 Y CB -0.838 37.613 38.460 -0.015 0.000 0.982 213 Y HN 0.204 nan 8.280 nan 0.000 0.515 214 D N -0.027 120.451 120.400 0.130 0.000 2.104 214 D HA -0.205 4.434 4.640 -0.001 0.000 0.194 214 D C 2.378 178.720 176.300 0.070 0.000 0.994 214 D CA 1.120 55.172 54.000 0.086 0.000 0.830 214 D CB -0.719 40.116 40.800 0.059 0.000 0.959 214 D HN 0.315 nan 8.370 nan 0.000 0.452 215 L N 0.311 121.559 121.223 0.042 0.000 1.989 215 L HA -0.184 4.155 4.340 -0.001 0.000 0.211 215 L C 2.312 179.220 176.870 0.064 0.000 1.071 215 L CA 1.148 56.017 54.840 0.049 0.000 0.749 215 L CB -0.206 41.871 42.059 0.031 0.000 0.890 215 L HN 0.026 nan 8.230 nan 0.000 0.431 216 L N -0.429 120.836 121.223 0.070 0.000 2.191 216 L HA -0.231 4.108 4.340 -0.001 0.000 0.212 216 L C 2.314 179.234 176.870 0.083 0.000 1.103 216 L CA 1.258 56.151 54.840 0.088 0.000 0.769 216 L CB -0.391 41.742 42.059 0.124 0.000 0.908 216 L HN 0.357 nan 8.230 nan 0.000 0.438 217 E N -0.525 119.726 120.200 0.085 0.000 2.371 217 E HA -0.053 4.297 4.350 -0.001 0.000 0.194 217 E C 1.034 177.670 176.600 0.061 0.000 1.012 217 E CA 0.213 56.654 56.400 0.069 0.000 0.860 217 E CB 0.221 29.961 29.700 0.066 0.000 0.811 217 E HN 0.458 nan 8.360 nan 0.000 0.502 218 N N -0.063 118.677 118.700 0.066 0.000 2.238 218 N HA 0.083 4.822 4.740 -0.001 0.000 0.222 218 N C -0.218 175.333 175.510 0.068 0.000 1.133 218 N CA 0.208 53.300 53.050 0.069 0.000 0.854 218 N CB 0.733 39.269 38.487 0.083 0.000 1.041 218 N HN 0.166 nan 8.380 nan 0.000 0.510 219 C N -2.365 116.971 119.300 0.060 0.000 3.272 219 C HA 0.425 4.885 4.460 -0.001 0.000 0.363 219 C C -0.615 174.403 174.990 0.047 0.000 1.514 219 C CA -0.769 58.280 59.018 0.053 0.000 1.185 219 C CB 1.530 29.299 27.740 0.049 0.000 1.716 219 C HN 0.070 nan 8.230 nan 0.000 0.440 220 D N 0.732 121.156 120.400 0.039 0.000 2.538 220 D HA 0.225 4.864 4.640 -0.001 0.000 0.231 220 D C 0.139 176.459 176.300 0.033 0.000 1.229 220 D CA 0.310 54.331 54.000 0.034 0.000 0.828 220 D CB 1.264 42.079 40.800 0.026 0.000 1.035 220 D HN 0.437 nan 8.370 nan 0.000 0.495 221 V N 3.132 123.071 119.914 0.041 0.000 2.572 221 V HA 0.097 4.217 4.120 -0.001 0.000 0.291 221 V C -1.846 174.278 176.094 0.051 0.000 1.039 221 V CA -0.974 61.352 62.300 0.043 0.000 1.055 221 V CB 0.697 32.554 31.823 0.057 0.000 0.969 221 V HN -0.006 nan 8.190 nan 0.000 0.482 222 P HA 0.198 nan 4.420 nan 0.000 0.271 222 P C 1.027 178.368 177.300 0.069 0.000 1.218 222 P CA -0.153 62.972 63.100 0.041 0.000 0.780 222 P CB 0.745 32.459 31.700 0.022 0.000 0.901 223 I N 2.087 122.691 120.570 0.056 0.000 2.423 223 I HA -0.274 3.895 4.170 -0.001 0.000 0.254 223 I C 1.614 177.802 176.117 0.119 0.000 1.151 223 I CA 1.736 63.081 61.300 0.074 0.000 1.421 223 I CB -0.011 37.968 38.000 -0.036 0.000 1.079 223 I HN 0.337 nan 8.210 nan 0.000 0.431 224 S N -0.243 115.513 115.700 0.094 0.000 2.603 224 S HA -0.007 4.462 4.470 -0.001 0.000 0.229 224 S C 1.528 176.255 174.600 0.212 0.000 0.972 224 S CA 0.208 58.503 58.200 0.159 0.000 0.935 224 S CB -0.176 63.072 63.200 0.081 0.000 0.769 224 S HN 0.374 nan 8.310 nan 0.000 0.536 225 K N 0.829 121.330 120.400 0.168 0.000 2.358 225 K HA 0.365 4.685 4.320 -0.001 0.000 0.197 225 K C -0.091 176.675 176.600 0.275 0.000 1.025 225 K CA 0.089 56.447 56.287 0.119 0.000 1.104 225 K CB 0.215 32.743 32.500 0.046 0.000 0.855 225 K HN 0.467 nan 8.250 nan 0.000 0.531 226 L N 1.826 123.280 121.223 0.384 0.000 2.276 226 L HA 0.406 4.745 4.340 -0.001 0.000 0.286 226 L C -0.480 176.656 176.870 0.443 0.000 1.024 226 L CA -0.867 54.253 54.840 0.467 0.000 0.826 226 L CB 0.949 43.256 42.059 0.412 0.000 1.211 226 L HN -0.193 nan 8.230 nan 0.000 0.422 227 L N 7.104 128.582 121.223 0.425 0.000 2.295 227 L HA 0.608 4.947 4.340 -0.001 0.000 0.281 227 L C -2.397 174.567 176.870 0.157 0.000 1.018 227 L CA -1.517 53.438 54.840 0.192 0.000 0.841 227 L CB 1.370 43.493 42.059 0.107 0.000 1.218 227 L HN 0.259 nan 8.230 nan 0.000 0.424 228 P HA 0.264 nan 4.420 nan 0.000 0.285 228 P C -0.874 176.332 177.300 -0.157 0.000 1.259 228 P CA -0.274 62.733 63.100 -0.155 0.000 0.794 228 P CB 1.598 33.039 31.700 -0.431 0.000 0.940 229 T N 1.509 115.944 114.554 -0.198 0.000 2.930 229 T HA 0.382 4.732 4.350 -0.001 0.000 0.290 229 T C -0.021 174.400 174.700 -0.465 0.000 1.052 229 T CA -0.147 61.738 62.100 -0.358 0.000 1.017 229 T CB 0.147 68.773 68.868 -0.404 0.000 1.137 229 T HN 0.534 nan 8.240 nan 0.000 0.511 230 H N 0.282 119.279 119.070 -0.122 0.000 2.862 230 H HA -0.135 4.421 4.556 -0.000 0.000 0.290 230 H C 1.440 176.719 175.328 -0.082 0.000 1.211 230 H CA 0.848 56.817 56.048 -0.132 0.000 1.140 230 H CB -2.456 27.180 29.762 -0.209 0.000 1.341 230 H HN 0.510 nan 8.280 nan 0.000 0.392 231 V N -0.446 119.484 119.914 0.027 0.000 2.720 231 V HA -0.244 3.876 4.120 -0.001 0.000 0.256 231 V C 2.023 178.257 176.094 0.233 0.000 1.082 231 V CA 2.055 64.401 62.300 0.076 0.000 1.101 231 V CB -0.162 31.673 31.823 0.020 0.000 0.693 231 V HN 0.535 nan 8.190 nan 0.000 0.479 232 N N 2.432 121.240 118.700 0.180 0.000 2.461 232 N HA -0.139 4.600 4.740 -0.001 0.000 0.188 232 N C 1.751 177.260 175.510 -0.002 0.000 1.134 232 N CA 1.094 54.175 53.050 0.051 0.000 0.878 232 N CB -0.739 37.688 38.487 -0.100 0.000 0.972 232 N HN 0.803 nan 8.380 nan 0.000 0.456 233 R N 0.562 121.081 120.500 0.032 0.000 2.148 233 R HA -0.061 4.279 4.340 -0.001 0.000 0.227 233 R C -0.324 175.980 176.300 0.006 0.000 1.103 233 R CA 1.068 57.169 56.100 0.002 0.000 0.983 233 R CB -0.581 29.714 30.300 -0.008 0.000 0.874 233 R HN 0.451 nan 8.270 nan 0.000 0.451 234 N N -2.350 116.370 118.700 0.033 0.000 2.484 234 N HA 0.129 4.869 4.740 -0.001 0.000 0.269 234 N C 0.107 175.665 175.510 0.081 0.000 1.237 234 N CA -0.737 52.335 53.050 0.037 0.000 0.838 234 N CB 1.773 40.277 38.487 0.028 0.000 1.593 234 N HN -0.225 nan 8.380 nan 0.000 0.485 235 V N 0.458 120.411 119.914 0.065 0.000 2.255 235 V HA -0.064 4.055 4.120 -0.001 0.000 0.247 235 V C -0.952 175.223 176.094 0.135 0.000 1.051 235 V CA 1.903 64.265 62.300 0.104 0.000 1.018 235 V CB -1.455 30.405 31.823 0.062 0.000 0.641 235 V HN 0.719 nan 8.190 nan 0.000 0.445 236 P HA -0.151 nan 4.420 nan 0.000 0.215 236 P C 1.936 179.270 177.300 0.057 0.000 1.153 236 P CA 1.271 64.409 63.100 0.062 0.000 0.853 236 P CB -0.128 31.595 31.700 0.038 0.000 0.788 237 L N -1.224 120.033 121.223 0.057 0.000 2.046 237 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 237 L C 2.331 179.224 176.870 0.038 0.000 1.077 237 L CA 1.694 56.551 54.840 0.028 0.000 0.747 237 L CB -1.651 40.424 42.059 0.027 0.000 0.896 237 L HN -0.175 nan 8.230 nan 0.000 0.432 238 F N 0.647 120.586 119.950 -0.020 0.000 2.095 238 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 238 F C 2.392 178.193 175.800 0.002 0.000 1.104 238 F CA 1.993 59.983 58.000 -0.015 0.000 1.232 238 F CB -0.251 38.740 39.000 -0.015 0.000 0.987 238 F HN 0.177 nan 8.300 nan 0.000 0.475 239 E N 0.552 120.764 120.200 0.020 0.000 2.118 239 E HA -0.261 4.088 4.350 -0.001 0.000 0.195 239 E C 2.116 178.654 176.600 -0.103 0.000 0.992 239 E CA 1.778 58.148 56.400 -0.050 0.000 0.804 239 E CB -0.661 29.070 29.700 0.052 0.000 0.741 239 E HN 0.721 nan 8.360 nan 0.000 0.458 240 Q N 0.158 119.923 119.800 -0.058 0.000 2.230 240 Q HA 0.076 4.416 4.340 -0.001 0.000 0.202 240 Q C 2.139 178.124 176.000 -0.026 0.000 0.963 240 Q CA 1.180 56.978 55.803 -0.010 0.000 0.866 240 Q CB -0.267 28.502 28.738 0.052 0.000 0.931 240 Q HN 0.160 nan 8.270 nan 0.000 0.452 241 A N 1.971 124.699 122.820 -0.154 0.000 1.933 241 A HA -0.099 4.221 4.320 -0.001 0.000 0.218 241 A C 2.186 179.691 177.584 -0.132 0.000 1.175 241 A CA 0.970 52.913 52.037 -0.157 0.000 0.628 241 A CB -0.657 18.179 19.000 -0.274 0.000 0.814 241 A HN 0.329 nan 8.150 nan 0.000 0.444 242 L N -0.228 120.816 121.223 -0.297 0.000 2.079 242 L HA -0.236 4.103 4.340 -0.001 0.000 0.210 242 L C 2.603 179.432 176.870 -0.068 0.000 1.081 242 L CA 1.805 56.517 54.840 -0.215 0.000 0.752 242 L CB -0.750 41.164 42.059 -0.243 0.000 0.896 242 L HN 0.565 nan 8.230 nan 0.000 0.433 243 E N -0.348 119.843 120.200 -0.016 0.000 2.107 243 E HA -0.227 4.123 4.350 -0.001 0.000 0.191 243 E C 2.106 178.761 176.600 0.092 0.000 0.982 243 E CA 0.994 57.413 56.400 0.032 0.000 0.809 243 E CB -0.372 29.361 29.700 0.055 0.000 0.756 243 E HN 0.365 nan 8.360 nan 0.000 0.459 244 F N 2.557 122.508 119.950 0.001 0.000 2.095 244 F HA -0.176 4.351 4.527 0.000 0.000 0.298 244 F C 2.402 178.180 175.800 -0.036 0.000 1.104 244 F CA 1.555 59.559 58.000 0.007 0.000 1.232 244 F CB -0.364 38.578 39.000 -0.096 0.000 0.987 244 F HN -0.011 nan 8.300 nan 0.000 0.475 245 A N 0.413 123.206 122.820 -0.044 0.000 1.902 245 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 245 A C 2.391 179.884 177.584 -0.152 0.000 1.181 245 A CA 1.613 53.569 52.037 -0.135 0.000 0.623 245 A CB -0.906 18.062 19.000 -0.054 0.000 0.818 245 A HN 0.460 nan 8.150 nan 0.000 0.443 246 R N 0.019 120.460 120.500 -0.098 0.000 2.117 246 R HA -0.148 4.192 4.340 -0.001 0.000 0.243 246 R C 1.591 177.830 176.300 -0.101 0.000 1.143 246 R CA 1.820 57.873 56.100 -0.078 0.000 0.968 246 R CB -0.190 30.081 30.300 -0.048 0.000 0.863 246 R HN 0.510 nan 8.270 nan 0.000 0.444 247 K N -1.561 118.752 120.400 -0.145 0.000 2.486 247 K HA 0.052 4.372 4.320 -0.001 0.000 0.194 247 K C 0.858 177.338 176.600 -0.200 0.000 1.033 247 K CA 0.642 56.839 56.287 -0.151 0.000 1.004 247 K CB 0.630 33.053 32.500 -0.128 0.000 0.798 247 K HN 0.494 nan 8.250 nan 0.000 0.495 248 G N 0.483 109.138 108.800 -0.242 0.000 2.260 248 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.179 248 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.179 248 G C 0.336 175.071 174.900 -0.275 0.000 1.002 248 G CA -0.449 44.531 45.100 -0.200 0.000 0.677 248 G HN 0.442 nan 8.290 nan 0.000 0.486 249 G N -0.350 108.109 108.800 -0.568 0.000 2.537 249 G HA2 0.567 4.527 3.960 -0.001 0.000 0.273 249 G HA3 0.567 4.527 3.960 -0.001 0.000 0.273 249 G C -0.181 174.604 174.900 -0.192 0.000 1.189 249 G CA 0.577 45.312 45.100 -0.609 0.000 0.881 249 G HN 0.448 nan 8.290 nan 0.000 0.535 250 T N 0.412 114.962 114.554 -0.007 0.000 2.859 250 T HA 0.537 4.886 4.350 -0.001 0.000 0.281 250 T C 0.106 174.779 174.700 -0.045 0.000 1.005 250 T CA -0.106 61.939 62.100 -0.091 0.000 1.025 250 T CB 1.161 69.846 68.868 -0.306 0.000 0.977 250 T HN 0.598 nan 8.240 nan 0.000 0.458 251 I N -0.392 120.131 120.570 -0.079 0.000 2.569 251 I HA 0.779 4.949 4.170 -0.001 0.000 0.296 251 I C -1.205 174.839 176.117 -0.122 0.000 1.028 251 I CA -1.024 60.232 61.300 -0.072 0.000 1.082 251 I CB 2.189 40.170 38.000 -0.031 0.000 1.264 251 I HN 0.364 nan 8.210 nan 0.000 0.429 252 D N 5.648 125.970 120.400 -0.131 0.000 2.344 252 D HA 0.549 5.188 4.640 -0.001 0.000 0.239 252 D C -0.839 175.412 176.300 -0.082 0.000 1.064 252 D CA -0.301 53.626 54.000 -0.121 0.000 0.829 252 D CB 1.480 42.195 40.800 -0.141 0.000 1.129 252 D HN 0.553 nan 8.370 nan 0.000 0.506 253 I N 2.684 123.225 120.570 -0.048 0.000 2.428 253 I HA 0.248 4.418 4.170 -0.001 0.000 0.296 253 I C 0.228 176.321 176.117 -0.040 0.000 0.985 253 I CA -0.499 60.791 61.300 -0.017 0.000 1.260 253 I CB 1.830 39.830 38.000 -0.001 0.000 1.389 253 I HN 0.294 nan 8.210 nan 0.000 0.484 254 T N 3.472 118.016 114.554 -0.017 0.000 2.749 254 T HA 0.086 4.435 4.350 -0.001 0.000 0.287 254 T C 1.113 175.793 174.700 -0.033 0.000 0.970 254 T CA -0.577 61.517 62.100 -0.010 0.000 0.980 254 T CB 1.367 70.284 68.868 0.083 0.000 0.924 254 T HN 0.800 nan 8.240 nan 0.000 0.456 255 S N 2.010 117.685 115.700 -0.040 0.000 2.447 255 S HA -0.109 4.361 4.470 -0.001 0.000 0.233 255 S C 1.931 176.501 174.600 -0.049 0.000 1.006 255 S CA 0.920 59.089 58.200 -0.052 0.000 0.957 255 S CB -0.365 62.805 63.200 -0.049 0.000 0.773 255 S HN 0.674 nan 8.310 nan 0.000 0.507 256 S N 0.415 116.088 115.700 -0.045 0.000 2.593 256 S HA 0.390 4.860 4.470 -0.001 0.000 0.217 256 S C 0.348 174.916 174.600 -0.055 0.000 0.966 256 S CA -0.564 57.603 58.200 -0.054 0.000 0.914 256 S CB -0.597 62.563 63.200 -0.067 0.000 0.776 256 S HN 0.547 nan 8.310 nan 0.000 0.523 257 I N 2.372 122.910 120.570 -0.052 0.000 2.328 257 I HA 0.323 4.493 4.170 -0.001 0.000 0.287 257 I C -0.110 175.970 176.117 -0.060 0.000 1.012 257 I CA -0.505 60.762 61.300 -0.055 0.000 1.195 257 I CB 1.604 39.574 38.000 -0.050 0.000 1.350 257 I HN -0.011 nan 8.210 nan 0.000 0.464 258 D N 4.245 124.612 120.400 -0.055 0.000 2.327 258 D HA 0.112 4.752 4.640 -0.001 0.000 0.205 258 D C 0.286 176.551 176.300 -0.059 0.000 0.989 258 D CA 0.964 54.931 54.000 -0.055 0.000 0.873 258 D CB 0.597 41.373 40.800 -0.041 0.000 0.955 258 D HN 0.529 nan 8.370 nan 0.000 0.515 259 E N -0.599 119.567 120.200 -0.056 0.000 2.367 259 E HA 0.211 4.561 4.350 -0.001 0.000 0.273 259 E C -1.979 174.588 176.600 -0.055 0.000 0.903 259 E CA -1.595 54.772 56.400 -0.055 0.000 0.764 259 E CB 3.039 32.716 29.700 -0.038 0.000 1.252 259 E HN -0.195 nan 8.360 nan 0.000 0.446 260 P HA 0.040 nan 4.420 nan 0.000 0.236 260 P C -0.007 177.231 177.300 -0.104 0.000 1.177 260 P CA 0.407 63.470 63.100 -0.062 0.000 0.773 260 P CB 0.440 32.114 31.700 -0.044 0.000 0.878 261 V N 0.986 120.807 119.914 -0.155 0.000 2.326 261 V HA 0.537 4.657 4.120 -0.001 0.000 0.281 261 V C 0.560 176.521 176.094 -0.222 0.000 1.015 261 V CA -1.343 60.797 62.300 -0.267 0.000 0.823 261 V CB 0.750 32.245 31.823 -0.547 0.000 1.009 261 V HN 0.097 nan 8.190 nan 0.000 0.436 262 A N 7.699 130.419 122.820 -0.167 0.000 2.406 262 A HA 0.506 4.826 4.320 -0.001 0.000 0.243 262 A C -1.028 176.449 177.584 -0.179 0.000 1.082 262 A CA -0.809 51.150 52.037 -0.131 0.000 0.786 262 A CB 0.039 18.995 19.000 -0.073 0.000 1.029 262 A HN 0.626 nan 8.150 nan 0.000 0.495 263 P HA -0.191 nan 4.420 nan 0.000 0.215 263 P C 1.564 178.719 177.300 -0.242 0.000 1.157 263 P CA 2.497 65.496 63.100 -0.168 0.000 0.868 263 P CB -0.030 31.591 31.700 -0.132 0.000 0.788 264 A N 0.050 122.697 122.820 -0.288 0.000 1.933 264 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 264 A C 2.395 179.565 177.584 -0.689 0.000 1.175 264 A CA 1.736 53.463 52.037 -0.517 0.000 0.628 264 A CB -1.372 17.326 19.000 -0.502 0.000 0.814 264 A HN 0.219 nan 8.150 nan 0.000 0.444 265 E N -0.364 119.572 120.200 -0.440 0.000 2.051 265 E HA -0.144 4.206 4.350 -0.001 0.000 0.192 265 E C 2.124 178.568 176.600 -0.260 0.000 0.991 265 E CA 1.126 57.359 56.400 -0.278 0.000 0.799 265 E CB -0.470 29.178 29.700 -0.088 0.000 0.748 265 E HN 0.499 nan 8.360 nan 0.000 0.449 266 G N 1.605 110.222 108.800 -0.305 0.000 2.491 266 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.218 266 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.218 266 G C 1.623 176.525 174.900 0.005 0.000 1.180 266 G CA 1.258 46.201 45.100 -0.262 0.000 0.774 266 G HN 0.292 nan 8.290 nan 0.000 0.562 267 I N 1.398 121.897 120.570 -0.119 0.000 2.286 267 I HA -0.150 4.019 4.170 -0.001 0.000 0.248 267 I C 3.283 179.403 176.117 0.006 0.000 1.115 267 I CA 0.885 62.132 61.300 -0.089 0.000 1.392 267 I CB -0.218 37.617 38.000 -0.274 0.000 1.065 267 I HN 0.258 nan 8.210 nan 0.000 0.418 268 A N 0.970 123.726 122.820 -0.106 0.000 1.877 268 A HA -0.203 4.116 4.320 -0.001 0.000 0.216 268 A C 2.403 180.095 177.584 0.181 0.000 1.186 268 A CA 1.498 53.617 52.037 0.137 0.000 0.620 268 A CB -0.561 18.437 19.000 -0.003 0.000 0.822 268 A HN 0.307 nan 8.150 nan 0.000 0.443 269 R N -0.567 120.016 120.500 0.140 0.000 2.120 269 R HA -0.062 4.278 4.340 -0.001 0.000 0.234 269 R C 2.442 178.861 176.300 0.199 0.000 1.123 269 R CA 1.061 57.277 56.100 0.193 0.000 0.975 269 R CB -0.450 30.002 30.300 0.254 0.000 0.866 269 R HN 0.528 nan 8.270 nan 0.000 0.446 270 A N 0.678 123.624 122.820 0.210 0.000 1.902 270 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 270 A C 2.338 179.981 177.584 0.099 0.000 1.181 270 A CA 1.387 53.502 52.037 0.130 0.000 0.623 270 A CB -0.539 18.529 19.000 0.112 0.000 0.818 270 A HN 0.118 nan 8.150 nan 0.000 0.443 271 V N -0.061 119.934 119.914 0.134 0.000 2.295 271 V HA -0.325 3.794 4.120 -0.001 0.000 0.246 271 V C 2.652 178.784 176.094 0.063 0.000 1.049 271 V CA 2.338 64.697 62.300 0.099 0.000 1.024 271 V CB -0.899 31.005 31.823 0.135 0.000 0.648 271 V HN 0.673 nan 8.190 nan 0.000 0.447 272 Q N -0.053 119.800 119.800 0.089 0.000 2.135 272 Q HA -0.155 4.184 4.340 -0.001 0.000 0.204 272 Q C 2.189 178.220 176.000 0.053 0.000 0.981 272 Q CA 1.745 57.589 55.803 0.069 0.000 0.856 272 Q CB -0.409 28.383 28.738 0.091 0.000 0.902 272 Q HN 0.668 nan 8.270 nan 0.000 0.425 273 A N -0.096 122.759 122.820 0.059 0.000 2.206 273 A HA 0.243 4.562 4.320 -0.001 0.000 0.211 273 A C 1.519 179.114 177.584 0.018 0.000 1.158 273 A CA 0.872 52.931 52.037 0.036 0.000 0.761 273 A CB -0.312 18.705 19.000 0.029 0.000 0.801 273 A HN 0.482 nan 8.150 nan 0.000 0.473 274 G N -1.478 107.334 108.800 0.019 0.000 2.141 274 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.231 274 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.231 274 G C -0.031 174.871 174.900 0.002 0.000 0.984 274 G CA 0.088 45.192 45.100 0.007 0.000 0.660 274 G HN 0.374 nan 8.290 nan 0.000 0.525 275 I N 2.629 123.205 120.570 0.009 0.000 2.395 275 I HA 0.384 4.553 4.170 -0.001 0.000 0.289 275 I C -1.591 174.534 176.117 0.013 0.000 1.023 275 I CA -2.242 59.059 61.300 0.002 0.000 1.350 275 I CB 1.045 39.042 38.000 -0.006 0.000 1.409 275 I HN -0.113 nan 8.210 nan 0.000 0.507 276 P HA 0.136 nan 4.420 nan 0.000 0.271 276 P C 0.809 178.124 177.300 0.025 0.000 1.216 276 P CA -0.243 62.865 63.100 0.014 0.000 0.771 276 P CB 0.701 32.406 31.700 0.008 0.000 0.864 277 L N 1.902 123.151 121.223 0.043 0.000 2.261 277 L HA -0.238 4.101 4.340 -0.001 0.000 0.216 277 L C 2.254 179.146 176.870 0.036 0.000 1.114 277 L CA 1.565 56.439 54.840 0.056 0.000 0.777 277 L CB -0.760 41.352 42.059 0.087 0.000 0.910 277 L HN 0.428 nan 8.230 nan 0.000 0.440 278 A N -0.115 122.724 122.820 0.032 0.000 2.070 278 A HA -0.150 4.169 4.320 -0.001 0.000 0.220 278 A C 2.108 179.706 177.584 0.024 0.000 1.159 278 A CA 1.177 53.234 52.037 0.034 0.000 0.656 278 A CB -0.303 18.718 19.000 0.034 0.000 0.800 278 A HN 0.374 nan 8.150 nan 0.000 0.453 279 R N -0.738 119.765 120.500 0.005 0.000 2.466 279 R HA 0.277 4.616 4.340 -0.001 0.000 0.279 279 R C -1.053 175.218 176.300 -0.049 0.000 0.976 279 R CA 0.058 56.145 56.100 -0.022 0.000 1.081 279 R CB 0.487 30.770 30.300 -0.028 0.000 1.215 279 R HN 0.265 nan 8.270 nan 0.000 0.546 280 V N 1.079 120.972 119.914 -0.035 0.000 2.525 280 V HA 0.281 4.401 4.120 -0.001 0.000 0.299 280 V C 0.149 176.211 176.094 -0.054 0.000 1.034 280 V CA -0.753 61.522 62.300 -0.042 0.000 0.863 280 V CB 1.932 33.752 31.823 -0.005 0.000 0.999 280 V HN 0.240 nan 8.190 nan 0.000 0.423 281 T N 2.449 116.952 114.554 -0.085 0.000 2.926 281 T HA 0.880 5.229 4.350 -0.001 0.000 0.289 281 T C -1.122 173.535 174.700 -0.072 0.000 1.054 281 T CA -0.851 61.203 62.100 -0.076 0.000 1.015 281 T CB 2.172 70.984 68.868 -0.092 0.000 1.167 281 T HN 0.463 nan 8.240 nan 0.000 0.526 282 L N 1.916 123.098 121.223 -0.068 0.000 2.409 282 L HA 0.768 5.108 4.340 -0.001 0.000 0.272 282 L C -0.461 176.385 176.870 -0.040 0.000 0.980 282 L CA -0.035 54.761 54.840 -0.073 0.000 0.826 282 L CB 2.025 44.012 42.059 -0.119 0.000 1.268 282 L HN 1.163 nan 8.230 nan 0.000 0.407 283 S N 1.307 116.998 115.700 -0.014 0.000 2.632 283 S HA 0.605 5.074 4.470 -0.001 0.000 0.289 283 S C 0.466 175.097 174.600 0.051 0.000 1.115 283 S CA 0.061 58.293 58.200 0.053 0.000 0.889 283 S CB 1.543 64.807 63.200 0.107 0.000 1.116 283 S HN 0.768 nan 8.310 nan 0.000 0.486 284 S N -0.064 115.713 115.700 0.127 0.000 2.456 284 S HA 0.120 4.589 4.470 -0.001 0.000 0.224 284 S C 0.606 175.238 174.600 0.053 0.000 1.035 284 S CA 1.025 59.276 58.200 0.086 0.000 0.940 284 S CB -0.749 62.535 63.200 0.139 0.000 0.799 284 S HN 1.015 nan 8.310 nan 0.000 0.508 285 D N 1.296 121.796 120.400 0.166 0.000 3.041 285 D HA -0.101 4.539 4.640 -0.001 0.000 0.220 285 D C 0.333 176.761 176.300 0.213 0.000 1.157 285 D CA 0.990 55.162 54.000 0.285 0.000 0.876 285 D CB -1.694 39.163 40.800 0.094 0.000 1.107 285 D HN 0.694 nan 8.370 nan 0.000 0.422 286 G N 0.213 109.040 108.800 0.045 0.000 2.414 286 G HA2 0.251 4.211 3.960 -0.001 0.000 0.236 286 G HA3 0.251 4.211 3.960 -0.001 0.000 0.236 286 G C 0.881 175.752 174.900 -0.048 0.000 1.293 286 G CA 0.684 45.526 45.100 -0.430 0.000 0.869 286 G HN 0.366 nan 8.290 nan 0.000 0.556 287 N N -0.976 117.633 118.700 -0.152 0.000 2.948 287 N HA -0.141 4.599 4.740 -0.001 0.000 0.239 287 N C 0.974 176.487 175.510 0.005 0.000 0.954 287 N CA 1.593 54.658 53.050 0.026 0.000 0.941 287 N CB -1.263 37.330 38.487 0.178 0.000 1.101 287 N HN 1.017 nan 8.380 nan 0.000 0.579 304 V N 1.425 121.311 119.914 -0.047 0.000 2.288 304 V HA 0.640 4.760 4.120 -0.001 0.000 0.266 304 V C 0.895 176.944 176.094 -0.076 0.000 1.048 304 V CA 0.205 62.471 62.300 -0.056 0.000 0.842 304 V CB 0.021 31.821 31.823 -0.038 0.000 1.064 304 V HN 1.779 nan 8.190 nan 0.000 0.472 305 A N 5.358 128.115 122.820 -0.105 0.000 2.580 305 A HA 0.513 4.833 4.320 -0.001 0.000 0.244 305 A C 0.916 178.331 177.584 -0.281 0.000 1.045 305 A CA 0.915 52.855 52.037 -0.161 0.000 0.761 305 A CB -0.112 18.800 19.000 -0.147 0.000 0.962 305 A HN 1.272 nan 8.150 nan 0.000 0.512 306 G N 0.032 108.667 108.800 -0.277 0.000 2.642 306 G HA2 0.562 4.521 3.960 -0.001 0.000 0.291 306 G HA3 0.562 4.521 3.960 -0.001 0.000 0.291 306 G C -0.205 174.386 174.900 -0.514 0.000 1.345 306 G CA -0.507 44.393 45.100 -0.333 0.000 1.043 306 G HN 0.559 nan 8.290 nan 0.000 0.528 307 F N -0.287 119.701 119.950 0.063 0.000 2.682 307 F HA 0.184 4.710 4.527 -0.001 0.000 0.308 307 F C 2.445 178.288 175.800 0.071 0.000 1.093 307 F CA -0.028 58.016 58.000 0.074 0.000 1.244 307 F CB 0.708 39.763 39.000 0.092 0.000 1.052 307 F HN 0.452 nan 8.300 nan 0.000 0.573 308 E N 0.542 120.845 120.200 0.171 0.000 2.268 308 E HA -0.173 4.176 4.350 -0.001 0.000 0.195 308 E C 1.602 178.256 176.600 0.090 0.000 0.995 308 E CA 1.736 58.215 56.400 0.131 0.000 0.836 308 E CB -1.230 28.523 29.700 0.088 0.000 0.763 308 E HN 0.442 nan 8.360 nan 0.000 0.491 309 T N -0.643 113.944 114.554 0.055 0.000 3.007 309 T HA -0.014 4.335 4.350 -0.001 0.000 0.270 309 T C 2.113 176.814 174.700 0.002 0.000 1.107 309 T CA 0.733 62.842 62.100 0.015 0.000 1.118 309 T CB -0.392 68.467 68.868 -0.016 0.000 0.889 309 T HN 0.121 nan 8.240 nan 0.000 0.506 310 L N -0.226 121.019 121.223 0.037 0.000 1.973 310 L HA 0.082 4.421 4.340 -0.001 0.000 0.208 310 L C 2.596 179.422 176.870 -0.074 0.000 1.073 310 L CA 0.933 55.743 54.840 -0.050 0.000 0.746 310 L CB -0.814 41.230 42.059 -0.025 0.000 0.891 310 L HN 0.205 nan 8.230 nan 0.000 0.433 311 L N 0.177 121.462 121.223 0.104 0.000 2.042 311 L HA -0.228 4.111 4.340 -0.001 0.000 0.210 311 L C 2.462 179.367 176.870 0.058 0.000 1.076 311 L CA 1.773 56.712 54.840 0.165 0.000 0.749 311 L CB -0.588 41.620 42.059 0.247 0.000 0.893 311 L HN 0.235 nan 8.230 nan 0.000 0.432 312 E N -1.248 118.975 120.200 0.038 0.000 2.070 312 E HA -0.243 4.107 4.350 -0.001 0.000 0.197 312 E C 1.934 178.520 176.600 -0.024 0.000 1.004 312 E CA 1.947 58.354 56.400 0.012 0.000 0.805 312 E CB -0.307 29.398 29.700 0.010 0.000 0.744 312 E HN 0.572 nan 8.360 nan 0.000 0.451 313 T N 0.935 115.452 114.554 -0.062 0.000 2.684 313 T HA -0.154 4.196 4.350 -0.001 0.000 0.267 313 T C 2.136 176.754 174.700 -0.137 0.000 1.036 313 T CA 1.308 63.339 62.100 -0.116 0.000 1.148 313 T CB -0.346 68.428 68.868 -0.157 0.000 0.863 313 T HN -0.020 nan 8.240 nan 0.000 0.436 314 V N 1.674 121.512 119.914 -0.126 0.000 2.287 314 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 314 V C 2.652 178.712 176.094 -0.056 0.000 1.053 314 V CA 1.837 64.072 62.300 -0.108 0.000 1.027 314 V CB -0.794 30.997 31.823 -0.053 0.000 0.646 314 V HN 0.533 nan 8.190 nan 0.000 0.447 315 Q N -0.623 119.167 119.800 -0.016 0.000 2.061 315 Q HA -0.187 4.152 4.340 -0.001 0.000 0.204 315 Q C 2.352 178.360 176.000 0.015 0.000 0.984 315 Q CA 2.009 57.815 55.803 0.006 0.000 0.846 315 Q CB -0.438 28.312 28.738 0.021 0.000 0.902 315 Q HN 0.535 nan 8.270 nan 0.000 0.421 316 V N 1.134 121.055 119.914 0.012 0.000 2.343 316 V HA -0.267 3.853 4.120 -0.001 0.000 0.247 316 V C 2.202 178.372 176.094 0.126 0.000 1.051 316 V CA 1.579 63.919 62.300 0.067 0.000 1.036 316 V CB -0.509 31.351 31.823 0.063 0.000 0.654 316 V HN 0.344 nan 8.190 nan 0.000 0.451 317 L N -0.624 120.583 121.223 -0.026 0.000 2.079 317 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 317 L C 2.389 179.331 176.870 0.121 0.000 1.081 317 L CA 1.213 55.993 54.840 -0.100 0.000 0.752 317 L CB -0.564 41.207 42.059 -0.480 0.000 0.896 317 L HN 0.212 nan 8.230 nan 0.000 0.433 318 V N 0.016 119.977 119.914 0.078 0.000 2.323 318 V HA -0.240 3.880 4.120 -0.001 0.000 0.244 318 V C 2.514 178.670 176.094 0.104 0.000 1.041 318 V CA 1.951 64.314 62.300 0.105 0.000 1.025 318 V CB -0.583 31.263 31.823 0.038 0.000 0.656 318 V HN 0.499 nan 8.190 nan 0.000 0.451 319 K N -0.036 120.410 120.400 0.078 0.000 2.062 319 K HA -0.165 4.154 4.320 -0.001 0.000 0.205 319 K C 1.117 177.748 176.600 0.052 0.000 1.051 319 K CA 2.003 58.324 56.287 0.056 0.000 0.941 319 K CB -0.138 32.385 32.500 0.037 0.000 0.719 319 K HN 0.403 nan 8.250 nan 0.000 0.440 320 D N -1.013 119.433 120.400 0.077 0.000 2.433 320 D HA 0.050 4.689 4.640 -0.001 0.000 0.211 320 D C 0.297 176.515 176.300 -0.136 0.000 1.114 320 D CA 0.166 54.138 54.000 -0.046 0.000 0.837 320 D CB 0.427 41.146 40.800 -0.135 0.000 0.984 320 D HN 0.228 nan 8.370 nan 0.000 0.505 321 Y N 0.659 121.003 120.300 0.073 0.000 2.527 321 Y HA 0.090 4.639 4.550 -0.001 0.000 0.247 321 Y C 0.059 176.085 175.900 0.210 0.000 1.138 321 Y CA -0.380 57.806 58.100 0.144 0.000 1.228 321 Y CB 0.730 39.291 38.460 0.169 0.000 1.252 321 Y HN -0.247 nan 8.280 nan 0.000 0.531 322 D N -0.613 119.946 120.400 0.264 0.000 3.041 322 D HA -0.220 4.420 4.640 -0.001 0.000 0.220 322 D C -0.458 175.968 176.300 0.210 0.000 1.157 322 D CA 0.768 54.880 54.000 0.187 0.000 0.876 322 D CB -1.591 39.265 40.800 0.093 0.000 1.107 322 D HN 0.168 nan 8.370 nan 0.000 0.422 323 F N 1.331 121.326 119.950 0.076 0.000 2.382 323 F HA 0.276 4.803 4.527 -0.000 0.000 0.331 323 F C 1.649 177.461 175.800 0.020 0.000 1.121 323 F CA -0.494 57.531 58.000 0.042 0.000 1.183 323 F CB 0.878 39.890 39.000 0.020 0.000 1.207 323 F HN -0.166 nan 8.300 nan 0.000 0.555 324 S N 2.231 118.016 115.700 0.142 0.000 2.614 324 S HA 0.295 4.764 4.470 -0.001 0.000 0.265 324 S C 1.286 175.936 174.600 0.083 0.000 1.303 324 S CA -0.676 57.580 58.200 0.094 0.000 1.000 324 S CB 0.622 63.867 63.200 0.075 0.000 0.935 324 S HN 0.587 nan 8.310 nan 0.000 0.551 325 I N 1.058 121.601 120.570 -0.046 0.000 2.208 325 I HA -0.197 3.973 4.170 -0.001 0.000 0.245 325 I C 2.664 178.715 176.117 -0.109 0.000 1.097 325 I CA 1.343 62.521 61.300 -0.205 0.000 1.363 325 I CB -0.584 37.003 38.000 -0.688 0.000 1.051 325 I HN 0.708 nan 8.210 nan 0.000 0.413 326 S N 0.319 116.022 115.700 0.005 0.000 2.359 326 S HA -0.210 4.260 4.470 -0.001 0.000 0.224 326 S C 1.626 176.295 174.600 0.114 0.000 1.035 326 S CA 1.531 59.805 58.200 0.123 0.000 1.018 326 S CB -0.287 63.029 63.200 0.193 0.000 0.876 326 S HN 0.438 nan 8.310 nan 0.000 0.448 327 D N 1.412 121.894 120.400 0.137 0.000 2.117 327 D HA 0.061 4.701 4.640 -0.001 0.000 0.198 327 D C 2.151 178.591 176.300 0.233 0.000 0.982 327 D CA 1.082 55.200 54.000 0.196 0.000 0.828 327 D CB -0.478 40.450 40.800 0.213 0.000 0.967 327 D HN 0.357 nan 8.370 nan 0.000 0.464 328 A N 0.697 123.639 122.820 0.204 0.000 1.940 328 A HA -0.145 4.174 4.320 -0.001 0.000 0.219 328 A C 2.341 179.909 177.584 -0.026 0.000 1.176 328 A CA 0.965 53.019 52.037 0.028 0.000 0.631 328 A CB -0.725 18.259 19.000 -0.026 0.000 0.814 328 A HN 0.231 nan 8.150 nan 0.000 0.446 329 L N -0.974 120.263 121.223 0.022 0.000 2.217 329 L HA -0.147 4.193 4.340 -0.001 0.000 0.211 329 L C 2.734 179.624 176.870 0.034 0.000 1.107 329 L CA 0.806 55.668 54.840 0.037 0.000 0.783 329 L CB -0.439 41.676 42.059 0.094 0.000 0.919 329 L HN 0.406 nan 8.230 nan 0.000 0.442 330 R N 0.440 120.970 120.500 0.051 0.000 2.112 330 R HA -0.206 4.133 4.340 -0.001 0.000 0.242 330 R C -0.497 175.815 176.300 0.020 0.000 1.137 330 R CA 1.608 57.739 56.100 0.051 0.000 0.944 330 R CB -2.196 28.144 30.300 0.068 0.000 0.857 330 R HN 0.363 nan 8.270 nan 0.000 0.435 331 P HA -0.108 nan 4.420 nan 0.000 0.223 331 P C 1.081 178.345 177.300 -0.061 0.000 1.144 331 P CA 1.251 64.324 63.100 -0.044 0.000 0.783 331 P CB 0.017 31.670 31.700 -0.078 0.000 0.771 332 L N -2.153 119.018 121.223 -0.086 0.000 2.590 332 L HA 0.123 4.462 4.340 -0.001 0.000 0.227 332 L C 1.761 178.659 176.870 0.046 0.000 1.099 332 L CA 0.946 55.718 54.840 -0.112 0.000 0.872 332 L CB -0.205 41.604 42.059 -0.416 0.000 1.088 332 L HN 0.170 nan 8.230 nan 0.000 0.479 333 T N -5.265 109.332 114.554 0.072 0.000 2.964 333 T HA -0.014 4.336 4.350 -0.001 0.000 0.161 333 T C 1.743 176.498 174.700 0.091 0.000 0.859 333 T CA 0.617 62.791 62.100 0.122 0.000 1.015 333 T CB -0.318 68.648 68.868 0.163 0.000 2.138 333 T HN 0.052 nan 8.240 nan 0.000 0.367 334 S N 1.881 117.632 115.700 0.085 0.000 2.383 334 S HA -0.126 4.343 4.470 -0.001 0.000 0.229 334 S C 2.255 176.894 174.600 0.065 0.000 1.030 334 S CA 1.852 60.095 58.200 0.071 0.000 1.002 334 S CB -1.322 61.920 63.200 0.070 0.000 0.829 334 S HN 0.520 nan 8.310 nan 0.000 0.467 335 S N 1.512 117.248 115.700 0.060 0.000 2.368 335 S HA -0.018 4.451 4.470 -0.001 0.000 0.224 335 S C 2.006 176.659 174.600 0.088 0.000 1.029 335 S CA 1.249 59.485 58.200 0.060 0.000 0.988 335 S CB -0.620 62.601 63.200 0.034 0.000 0.838 335 S HN 0.498 nan 8.310 nan 0.000 0.462 336 V N 2.316 122.276 119.914 0.078 0.000 2.270 336 V HA -0.160 3.960 4.120 -0.001 0.000 0.245 336 V C 2.724 178.875 176.094 0.094 0.000 1.043 336 V CA 1.625 63.987 62.300 0.103 0.000 1.014 336 V CB -1.462 30.410 31.823 0.082 0.000 0.645 336 V HN 0.523 nan 8.190 nan 0.000 0.447 337 A N 0.883 123.737 122.820 0.057 0.000 1.948 337 A HA -0.135 4.184 4.320 -0.001 0.000 0.220 337 A C 2.392 179.978 177.584 0.004 0.000 1.177 337 A CA 2.192 54.236 52.037 0.012 0.000 0.636 337 A CB -1.305 17.710 19.000 0.025 0.000 0.815 337 A HN 0.556 nan 8.150 nan 0.000 0.449 338 G N -1.359 107.470 108.800 0.049 0.000 2.414 338 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.215 338 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.215 338 G C 1.467 176.410 174.900 0.073 0.000 1.188 338 G CA 1.111 46.243 45.100 0.053 0.000 0.783 338 G HN 0.498 nan 8.290 nan 0.000 0.537 339 F N 1.059 120.992 119.950 -0.028 0.000 2.134 339 F HA 0.114 4.640 4.527 -0.001 0.000 0.299 339 F C 2.113 177.881 175.800 -0.053 0.000 1.097 339 F CA 1.111 59.094 58.000 -0.028 0.000 1.264 339 F CB -0.021 38.972 39.000 -0.012 0.000 1.001 339 F HN 0.006 nan 8.300 nan 0.000 0.479 340 L N 0.421 121.572 121.223 -0.119 0.000 2.592 340 L HA 0.054 4.394 4.340 -0.001 0.000 0.227 340 L C 0.060 176.767 176.870 -0.272 0.000 1.127 340 L CA 0.107 54.784 54.840 -0.272 0.000 0.884 340 L CB -0.725 41.221 42.059 -0.188 0.000 1.065 340 L HN 0.146 nan 8.230 nan 0.000 0.457 341 N N 0.870 119.454 118.700 -0.194 0.000 2.727 341 N HA -0.192 4.548 4.740 -0.001 0.000 0.249 341 N C -0.308 175.092 175.510 -0.184 0.000 1.048 341 N CA 0.775 53.729 53.050 -0.159 0.000 0.714 341 N CB -1.639 36.753 38.487 -0.159 0.000 0.959 341 N HN 0.334 nan 8.380 nan 0.000 0.544 342 L N 0.811 121.915 121.223 -0.197 0.000 2.375 342 L HA 0.123 4.463 4.340 -0.001 0.000 0.276 342 L C 0.771 177.585 176.870 -0.092 0.000 1.162 342 L CA -0.084 54.609 54.840 -0.245 0.000 0.991 342 L CB 0.062 41.937 42.059 -0.307 0.000 1.315 342 L HN -0.018 nan 8.230 nan 0.000 0.431 343 T N 2.157 116.676 114.554 -0.058 0.000 2.908 343 T HA 0.169 4.519 4.350 -0.001 0.000 0.301 343 T C 1.212 175.940 174.700 0.046 0.000 1.019 343 T CA 1.264 63.364 62.100 0.001 0.000 1.152 343 T CB 0.785 69.657 68.868 0.007 0.000 0.966 343 T HN 0.992 nan 8.240 nan 0.000 0.540 344 G N 2.774 111.601 108.800 0.045 0.000 2.176 344 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.253 344 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.253 344 G C 0.144 175.090 174.900 0.076 0.000 0.979 344 G CA -0.048 45.090 45.100 0.063 0.000 0.641 344 G HN 0.587 nan 8.290 nan 0.000 0.530 345 K N -0.594 119.848 120.400 0.071 0.000 2.295 345 K HA 0.702 5.022 4.320 -0.001 0.000 0.239 345 K C 1.228 177.871 176.600 0.072 0.000 0.991 345 K CA -0.147 56.192 56.287 0.086 0.000 0.845 345 K CB 1.117 33.678 32.500 0.101 0.000 1.197 345 K HN 1.192 nan 8.250 nan 0.000 0.441 346 G N 0.565 109.420 108.800 0.091 0.000 2.205 346 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.261 346 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.261 346 G C -0.285 174.668 174.900 0.089 0.000 0.980 346 G CA 0.528 45.685 45.100 0.095 0.000 0.632 346 G HN 0.521 nan 8.290 nan 0.000 0.533 347 E N -1.051 119.195 120.200 0.077 0.000 2.372 347 E HA 0.519 4.869 4.350 -0.001 0.000 0.279 347 E C -0.738 175.899 176.600 0.062 0.000 0.946 347 E CA -0.996 55.447 56.400 0.072 0.000 0.769 347 E CB 1.772 31.508 29.700 0.060 0.000 1.230 347 E HN 0.170 nan 8.360 nan 0.000 0.442 348 I N 3.591 124.198 120.570 0.060 0.000 2.281 348 I HA 0.281 4.451 4.170 -0.001 0.000 0.293 348 I C -0.646 175.492 176.117 0.035 0.000 1.085 348 I CA 0.119 61.446 61.300 0.046 0.000 1.257 348 I CB -0.040 37.988 38.000 0.047 0.000 1.430 348 I HN 0.196 nan 8.210 nan 0.000 0.489 349 L N 7.422 128.664 121.223 0.030 0.000 2.465 349 L HA 0.520 4.860 4.340 -0.001 0.000 0.257 349 L C -2.581 174.302 176.870 0.021 0.000 0.988 349 L CA -2.124 52.730 54.840 0.024 0.000 0.827 349 L CB 2.815 44.889 42.059 0.026 0.000 1.397 349 L HN 0.202 nan 8.230 nan 0.000 0.410 350 P HA 0.124 nan 4.420 nan 0.000 0.265 350 P C 0.693 178.006 177.300 0.021 0.000 1.193 350 P CA 0.853 63.963 63.100 0.017 0.000 0.765 350 P CB 0.755 32.462 31.700 0.013 0.000 0.823 351 G N 1.757 110.571 108.800 0.024 0.000 2.268 351 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.240 351 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.240 351 G C 0.475 175.393 174.900 0.031 0.000 1.010 351 G CA -0.287 44.829 45.100 0.026 0.000 0.618 351 G HN 0.531 nan 8.290 nan 0.000 0.516 352 N N 1.610 120.330 118.700 0.032 0.000 2.381 352 N HA 0.458 5.198 4.740 -0.001 0.000 0.254 352 N C -0.166 175.370 175.510 0.043 0.000 1.264 352 N CA -0.386 52.689 53.050 0.041 0.000 0.942 352 N CB 0.342 38.855 38.487 0.043 0.000 1.190 352 N HN 0.212 nan 8.380 nan 0.000 0.495 353 D N -0.053 120.380 120.400 0.055 0.000 2.399 353 D HA 0.184 4.823 4.640 -0.001 0.000 0.241 353 D C -0.216 176.114 176.300 0.050 0.000 1.133 353 D CA -0.010 54.024 54.000 0.056 0.000 0.890 353 D CB 0.473 41.319 40.800 0.077 0.000 1.201 353 D HN 0.464 nan 8.370 nan 0.000 0.432 354 A N 2.391 125.237 122.820 0.042 0.000 3.091 354 A HA 0.154 4.473 4.320 -0.001 0.000 0.264 354 A C -0.566 177.058 177.584 0.067 0.000 1.673 354 A CA -0.451 51.606 52.037 0.033 0.000 1.362 354 A CB -0.276 18.727 19.000 0.006 0.000 1.137 354 A HN 0.231 nan 8.150 nan 0.000 0.617 355 D N 1.537 121.980 120.400 0.071 0.000 2.443 355 D HA 0.548 5.188 4.640 -0.001 0.000 0.221 355 D C -0.457 175.889 176.300 0.076 0.000 1.097 355 D CA 0.416 54.466 54.000 0.084 0.000 0.865 355 D CB 1.011 41.861 40.800 0.083 0.000 1.034 355 D HN 0.379 nan 8.370 nan 0.000 0.511 356 L N 1.354 122.641 121.223 0.108 0.000 2.388 356 L HA 0.540 4.880 4.340 -0.001 0.000 0.264 356 L C -0.569 176.363 176.870 0.105 0.000 0.998 356 L CA -0.915 53.981 54.840 0.093 0.000 0.817 356 L CB 2.218 44.319 42.059 0.070 0.000 1.338 356 L HN 0.006 nan 8.230 nan 0.000 0.414 357 L N 2.470 123.713 121.223 0.032 0.000 2.329 357 L HA 0.658 4.997 4.340 -0.001 0.000 0.279 357 L C -0.839 176.060 176.870 0.048 0.000 1.014 357 L CA -0.964 53.867 54.840 -0.016 0.000 0.814 357 L CB 2.213 44.171 42.059 -0.168 0.000 1.257 357 L HN 0.240 nan 8.230 nan 0.000 0.424 358 V N 4.222 124.176 119.914 0.066 0.000 2.378 358 V HA 0.502 4.621 4.120 -0.001 0.000 0.288 358 V C 0.138 176.259 176.094 0.046 0.000 1.016 358 V CA -0.259 62.090 62.300 0.082 0.000 0.840 358 V CB 1.595 33.492 31.823 0.123 0.000 0.994 358 V HN 0.723 nan 8.190 nan 0.000 0.431 359 M N 2.998 122.627 119.600 0.049 0.000 2.716 359 M HA 0.515 4.995 4.480 -0.001 0.000 0.307 359 M C 0.252 176.581 176.300 0.048 0.000 1.223 359 M CA -0.621 54.701 55.300 0.036 0.000 0.871 359 M CB 2.597 35.213 32.600 0.027 0.000 1.739 359 M HN 0.685 nan 8.290 nan 0.000 0.475 360 T N -2.140 112.437 114.554 0.038 0.000 2.882 360 T HA 0.290 4.639 4.350 -0.001 0.000 0.287 360 T C -2.007 172.717 174.700 0.040 0.000 1.014 360 T CA -1.486 60.639 62.100 0.041 0.000 1.049 360 T CB 0.498 69.387 68.868 0.034 0.000 1.001 360 T HN 0.403 nan 8.240 nan 0.000 0.525 361 P HA -0.073 nan 4.420 nan 0.000 0.222 361 P C 0.473 177.788 177.300 0.026 0.000 1.142 361 P CA 1.050 64.177 63.100 0.045 0.000 0.788 361 P CB -0.088 31.647 31.700 0.058 0.000 0.767 362 E N -0.404 119.811 120.200 0.026 0.000 2.403 362 E HA 0.210 4.560 4.350 -0.001 0.000 0.188 362 E C 0.350 176.962 176.600 0.019 0.000 1.056 362 E CA -0.175 56.238 56.400 0.021 0.000 0.892 362 E CB -0.592 29.122 29.700 0.023 0.000 1.049 362 E HN 0.068 nan 8.360 nan 0.000 0.465 363 L N 0.543 121.776 121.223 0.017 0.000 3.608 363 L HA -0.275 4.065 4.340 -0.001 0.000 0.422 363 L C 0.219 177.110 176.870 0.035 0.000 1.260 363 L CA 0.251 55.104 54.840 0.022 0.000 0.889 363 L CB -1.516 40.554 42.059 0.018 0.000 1.821 363 L HN 0.285 nan 8.230 nan 0.000 0.884 364 R N 1.284 121.802 120.500 0.030 0.000 2.445 364 R HA 0.627 4.967 4.340 -0.001 0.000 0.308 364 R C -0.010 176.303 176.300 0.021 0.000 0.961 364 R CA -0.842 55.276 56.100 0.030 0.000 0.862 364 R CB 1.212 31.528 30.300 0.027 0.000 1.144 364 R HN 0.251 nan 8.270 nan 0.000 0.447 365 I N 4.372 124.951 120.570 0.014 0.000 2.471 365 I HA -0.011 4.159 4.170 -0.001 0.000 0.286 365 I C 1.062 177.176 176.117 -0.006 0.000 1.079 365 I CA 0.453 61.748 61.300 -0.009 0.000 1.398 365 I CB 1.244 39.223 38.000 -0.035 0.000 1.403 365 I HN 0.712 nan 8.210 nan 0.000 0.530 366 E N 4.118 124.317 120.200 -0.003 0.000 2.207 366 E HA 0.106 4.455 4.350 -0.001 0.000 0.197 366 E C -0.172 176.415 176.600 -0.022 0.000 0.914 366 E CA 0.281 56.680 56.400 -0.001 0.000 0.914 366 E CB 0.507 30.218 29.700 0.018 0.000 0.893 366 E HN 0.622 nan 8.360 nan 0.000 0.479 367 Q N 0.433 120.221 119.800 -0.019 0.000 2.451 367 Q HA 0.613 4.952 4.340 -0.001 0.000 0.281 367 Q C -1.257 174.694 176.000 -0.082 0.000 1.099 367 Q CA -0.785 54.973 55.803 -0.075 0.000 0.806 367 Q CB 3.410 32.118 28.738 -0.049 0.000 1.419 367 Q HN -0.112 nan 8.270 nan 0.000 0.427 368 V N 1.407 121.195 119.914 -0.209 0.000 2.733 368 V HA 0.416 4.536 4.120 -0.001 0.000 0.306 368 V C -1.704 174.188 176.094 -0.336 0.000 1.084 368 V CA -0.815 61.394 62.300 -0.153 0.000 0.905 368 V CB 1.447 33.190 31.823 -0.133 0.000 1.010 368 V HN 0.645 nan 8.190 nan 0.000 0.424 369 Y N 2.212 122.490 120.300 -0.036 0.000 2.364 369 Y HA 0.795 5.345 4.550 -0.000 0.000 0.340 369 Y C 0.334 176.219 175.900 -0.024 0.000 0.975 369 Y CA -0.615 57.471 58.100 -0.023 0.000 1.089 369 Y CB 2.276 40.729 38.460 -0.011 0.000 1.192 369 Y HN 0.747 nan 8.280 nan 0.000 0.454 370 A N 3.389 126.267 122.820 0.096 0.000 2.335 370 A HA 0.660 4.980 4.320 -0.001 0.000 0.304 370 A C 0.011 177.632 177.584 0.062 0.000 1.118 370 A CA -1.037 51.034 52.037 0.057 0.000 0.757 370 A CB 0.498 19.500 19.000 0.003 0.000 1.188 370 A HN 0.963 nan 8.150 nan 0.000 0.460 371 R N 1.576 122.114 120.500 0.063 0.000 3.405 371 R HA -0.251 4.089 4.340 -0.001 0.000 0.258 371 R C 1.142 177.478 176.300 0.060 0.000 1.030 371 R CA 1.071 57.200 56.100 0.049 0.000 0.691 371 R CB -1.915 28.398 30.300 0.021 0.000 1.093 371 R HN 2.406 nan 8.270 nan 0.000 0.448 372 G N -0.017 108.845 108.800 0.102 0.000 2.189 372 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.267 372 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.267 372 G C 0.040 175.063 174.900 0.206 0.000 0.975 372 G CA 0.860 46.036 45.100 0.127 0.000 0.644 372 G HN 0.496 nan 8.290 nan 0.000 0.537 373 K N 0.189 120.685 120.400 0.160 0.000 2.159 373 K HA 0.643 4.962 4.320 -0.001 0.000 0.266 373 K C 0.096 176.695 176.600 -0.002 0.000 0.975 373 K CA -1.176 55.167 56.287 0.092 0.000 0.865 373 K CB 0.913 33.423 32.500 0.018 0.000 1.087 373 K HN 0.132 nan 8.250 nan 0.000 0.446 374 L N 5.873 127.030 121.223 -0.110 0.000 2.530 374 L HA 0.049 4.388 4.340 -0.001 0.000 0.273 374 L C 0.603 177.319 176.870 -0.256 0.000 1.141 374 L CA 0.497 55.090 54.840 -0.413 0.000 0.905 374 L CB 0.497 42.368 42.059 -0.313 0.000 1.202 374 L HN 0.867 nan 8.230 nan 0.000 0.473 375 M N 4.256 123.693 119.600 -0.272 0.000 2.567 375 M HA 0.263 4.743 4.480 -0.001 0.000 0.261 375 M C -0.099 176.110 176.300 -0.151 0.000 1.180 375 M CA 0.499 55.699 55.300 -0.166 0.000 1.143 375 M CB 0.067 32.588 32.600 -0.133 0.000 1.319 375 M HN 0.300 nan 8.290 nan 0.000 0.490 376 V N 0.920 120.719 119.914 -0.191 0.000 2.686 376 V HA 0.460 4.580 4.120 -0.001 0.000 0.306 376 V C -0.627 175.375 176.094 -0.152 0.000 1.065 376 V CA -1.017 61.199 62.300 -0.141 0.000 0.894 376 V CB 3.135 34.890 31.823 -0.114 0.000 1.004 376 V HN 0.158 nan 8.190 nan 0.000 0.424 377 K N 2.622 122.962 120.400 -0.100 0.000 2.482 377 K HA 0.399 4.718 4.320 -0.001 0.000 0.251 377 K C -0.729 175.844 176.600 -0.045 0.000 0.936 377 K CA -0.494 55.745 56.287 -0.079 0.000 0.791 377 K CB 1.452 33.908 32.500 -0.074 0.000 1.213 377 K HN 0.760 nan 8.250 nan 0.000 0.428 378 D N 2.924 123.306 120.400 -0.029 0.000 2.772 378 D HA -0.187 4.453 4.640 -0.001 0.000 0.233 378 D C 0.582 176.873 176.300 -0.014 0.000 1.143 378 D CA 1.770 55.762 54.000 -0.014 0.000 0.700 378 D CB -0.985 39.810 40.800 -0.008 0.000 1.076 378 D HN 1.107 nan 8.370 nan 0.000 0.430 379 G N -0.402 108.385 108.800 -0.021 0.000 2.168 379 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.263 379 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.263 379 G C 0.183 175.073 174.900 -0.018 0.000 0.977 379 G CA 1.037 46.127 45.100 -0.016 0.000 0.659 379 G HN 0.504 nan 8.290 nan 0.000 0.533 380 K N -0.038 120.346 120.400 -0.027 0.000 2.427 380 K HA 0.727 5.047 4.320 -0.001 0.000 0.252 380 K C 0.236 176.812 176.600 -0.040 0.000 0.931 380 K CA -0.360 55.913 56.287 -0.025 0.000 0.793 380 K CB 2.233 34.724 32.500 -0.015 0.000 1.211 380 K HN 0.599 nan 8.250 nan 0.000 0.426 381 A N 1.100 123.898 122.820 -0.038 0.000 2.546 381 A HA 0.056 4.376 4.320 -0.001 0.000 0.243 381 A C 0.973 178.528 177.584 -0.049 0.000 1.063 381 A CA -0.248 51.760 52.037 -0.050 0.000 0.757 381 A CB -0.528 18.448 19.000 -0.041 0.000 0.991 381 A HN 1.075 nan 8.150 nan 0.000 0.503 382 C N 0.910 120.171 119.300 -0.064 0.000 3.228 382 C HA 0.545 5.005 4.460 -0.001 0.000 0.290 382 C C 0.218 175.173 174.990 -0.059 0.000 1.301 382 C CA -0.358 58.625 59.018 -0.058 0.000 1.703 382 C CB -1.428 26.273 27.740 -0.064 0.000 2.141 382 C HN 0.462 nan 8.230 nan 0.000 0.656 383 V N 2.321 122.196 119.914 -0.065 0.000 2.483 383 V HA 0.466 4.586 4.120 -0.001 0.000 0.297 383 V C -0.563 175.496 176.094 -0.059 0.000 1.027 383 V CA -0.122 62.139 62.300 -0.064 0.000 0.855 383 V CB 1.567 33.348 31.823 -0.071 0.000 0.995 383 V HN 0.394 nan 8.190 nan 0.000 0.424 384 K N 2.298 122.663 120.400 -0.057 0.000 2.350 384 K HA 0.701 5.021 4.320 -0.001 0.000 0.241 384 K C 0.391 176.953 176.600 -0.063 0.000 0.994 384 K CA -0.764 55.493 56.287 -0.051 0.000 0.839 384 K CB 2.088 34.566 32.500 -0.037 0.000 1.244 384 K HN 0.797 nan 8.250 nan 0.000 0.443 385 G N 0.087 108.858 108.800 -0.049 0.000 2.554 385 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.238 385 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.238 385 G C 0.708 175.540 174.900 -0.114 0.000 1.259 385 G CA -0.215 44.849 45.100 -0.060 0.000 0.843 385 G HN 0.563 nan 8.290 nan 0.000 0.582 386 T N 1.127 115.557 114.554 -0.206 0.000 2.760 386 T HA -0.189 4.160 4.350 -0.001 0.000 0.269 386 T C 1.394 175.713 174.700 -0.634 0.000 1.047 386 T CA 1.655 63.480 62.100 -0.458 0.000 1.139 386 T CB -0.236 68.243 68.868 -0.648 0.000 0.855 386 T HN 0.439 nan 8.240 nan 0.000 0.471 387 F N 0.641 120.586 119.950 -0.008 0.000 2.654 387 F HA 0.289 4.816 4.527 -0.001 0.000 0.303 387 F C 0.805 176.604 175.800 -0.002 0.000 1.099 387 F CA -0.666 57.331 58.000 -0.005 0.000 1.270 387 F CB 0.306 39.304 39.000 -0.003 0.000 1.024 387 F HN 0.016 nan 8.300 nan 0.000 0.548 388 E N 1.512 121.767 120.200 0.092 0.000 2.384 388 E HA 0.173 4.523 4.350 -0.001 0.000 0.266 388 E C 0.357 176.990 176.600 0.056 0.000 1.012 388 E CA 0.214 56.653 56.400 0.065 0.000 0.901 388 E CB 0.880 30.596 29.700 0.025 0.000 0.967 388 E HN 0.158 nan 8.360 nan 0.000 0.435 389 T N 0.000 114.587 114.554 0.055 0.000 3.816 389 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 389 T CA 0.000 62.126 62.100 0.043 0.000 1.349 389 T CB 0.000 68.900 68.868 0.052 0.000 0.612 389 T HN 0.000 nan 8.240 nan 0.000 0.658