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 1q3g_1_X DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTAMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE 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 0.000 176.325 176.300 0.042 0.000 1.140 1 M CA 0.000 55.321 55.300 0.034 0.000 0.988 1 M CB 0.000 32.627 32.600 0.044 0.000 1.302 2 D N 3.768 124.193 120.400 0.042 0.000 2.478 2 D HA 0.355 4.996 4.640 0.000 0.000 0.234 2 D C -0.338 175.968 176.300 0.010 0.000 1.154 2 D CA 0.924 54.945 54.000 0.035 0.000 0.874 2 D CB 0.716 41.532 40.800 0.028 0.000 1.198 2 D HN 0.524 nan 8.370 nan 0.000 0.455 3 K N 0.576 120.999 120.400 0.039 0.000 2.495 3 K HA 0.479 4.799 4.320 0.000 0.000 0.268 3 K C -0.889 175.844 176.600 0.222 0.000 1.008 3 K CA -0.778 55.533 56.287 0.041 0.000 0.882 3 K CB 1.962 34.498 32.500 0.061 0.000 1.443 3 K HN 0.294 nan 8.250 nan 0.000 0.447 4 F N 1.131 121.081 119.950 -0.000 0.000 2.444 4 F HA 0.410 4.937 4.527 0.000 0.000 0.342 4 F C 0.226 176.022 175.800 -0.007 0.000 1.121 4 F CA -1.022 56.975 58.000 -0.006 0.000 0.997 4 F CB 1.929 40.919 39.000 -0.018 0.000 1.130 4 F HN 0.205 nan 8.300 nan 0.000 0.454 5 R N 3.892 124.476 120.500 0.140 0.000 2.215 5 R HA 0.527 4.867 4.340 0.000 0.000 0.337 5 R C -1.602 174.699 176.300 0.001 0.000 1.010 5 R CA -0.364 55.770 56.100 0.057 0.000 0.871 5 R CB 1.118 31.439 30.300 0.036 0.000 1.134 5 R HN 0.442 nan 8.270 nan 0.000 0.477 6 V N 4.487 124.407 119.914 0.009 0.000 2.513 6 V HA 0.321 4.441 4.120 0.000 0.000 0.299 6 V C -0.360 175.726 176.094 -0.015 0.000 1.035 6 V CA -0.864 61.424 62.300 -0.020 0.000 0.889 6 V CB 1.854 33.671 31.823 -0.009 0.000 0.988 6 V HN 0.670 nan 8.190 nan 0.000 0.440 7 Q N 2.962 122.747 119.800 -0.024 0.000 2.333 7 Q HA 0.647 4.987 4.340 0.000 0.000 0.265 7 Q C 0.075 176.064 176.000 -0.018 0.000 0.989 7 Q CA -0.152 55.640 55.803 -0.018 0.000 0.842 7 Q CB 2.467 31.193 28.738 -0.019 0.000 1.262 7 Q HN 0.965 nan 8.270 nan 0.000 0.451 8 G N 2.692 111.483 108.800 -0.014 0.000 2.818 8 G HA2 0.725 4.685 3.960 0.000 0.000 0.286 8 G HA3 0.725 4.685 3.960 0.000 0.000 0.286 8 G C -2.829 172.065 174.900 -0.010 0.000 1.364 8 G CA -1.234 43.858 45.100 -0.013 0.000 0.938 8 G HN 0.301 nan 8.290 nan 0.000 0.490 9 P HA 0.361 nan 4.420 nan 0.000 0.286 9 P C -0.748 176.546 177.300 -0.010 0.000 1.261 9 P CA -0.101 62.993 63.100 -0.010 0.000 0.821 9 P CB 1.607 33.302 31.700 -0.008 0.000 1.013 10 T N -0.668 113.880 114.554 -0.011 0.000 3.011 10 T HA 0.368 4.718 4.350 0.000 0.000 0.303 10 T C -0.254 174.442 174.700 -0.007 0.000 0.997 10 T CA -1.025 61.069 62.100 -0.010 0.000 1.007 10 T CB 1.203 70.064 68.868 -0.013 0.000 1.017 10 T HN 0.426 nan 8.240 nan 0.000 0.443 11 R N 3.625 124.122 120.500 -0.005 0.000 2.370 11 R HA 0.376 4.716 4.340 0.000 0.000 0.309 11 R C -0.536 175.764 176.300 -0.000 0.000 1.059 11 R CA -0.505 55.593 56.100 -0.003 0.000 0.981 11 R CB 0.104 30.402 30.300 -0.002 0.000 0.972 11 R HN 0.702 nan 8.270 nan 0.000 0.437 12 L N 6.320 127.547 121.223 0.006 0.000 2.281 12 L HA 0.266 4.606 4.340 0.000 0.000 0.285 12 L C 0.062 176.941 176.870 0.016 0.000 1.074 12 L CA -0.105 54.746 54.840 0.018 0.000 0.817 12 L CB 0.937 43.019 42.059 0.039 0.000 1.168 12 L HN 0.754 nan 8.230 nan 0.000 0.434 13 Q N 3.226 123.030 119.800 0.007 0.000 2.522 13 Q HA 0.767 5.107 4.340 0.000 0.000 0.285 13 Q C -0.478 175.513 176.000 -0.015 0.000 0.982 13 Q CA -0.300 55.501 55.803 -0.003 0.000 0.805 13 Q CB 2.838 31.570 28.738 -0.010 0.000 1.457 13 Q HN 0.677 nan 8.270 nan 0.000 0.394 14 G N 1.108 109.894 108.800 -0.024 0.000 2.217 14 G HA2 0.000 3.960 3.960 0.000 0.000 0.173 14 G HA3 0.000 3.960 3.960 0.000 0.000 0.173 14 G C -1.470 173.399 174.900 -0.052 0.000 1.324 14 G CA -0.259 44.817 45.100 -0.039 0.000 1.225 14 G HN 0.683 nan 8.290 nan 0.000 0.494 15 E N -1.511 118.646 120.200 -0.072 0.000 2.369 15 E HA 0.662 5.012 4.350 0.000 0.000 0.270 15 E C -1.507 175.007 176.600 -0.144 0.000 0.909 15 E CA -0.744 55.602 56.400 -0.090 0.000 0.775 15 E CB 3.197 32.849 29.700 -0.080 0.000 1.270 15 E HN 0.959 nan 8.360 nan 0.000 0.445 16 V N 0.837 120.647 119.914 -0.173 0.000 3.048 16 V HA 0.428 4.548 4.120 0.000 0.000 0.303 16 V C -1.546 174.443 176.094 -0.175 0.000 1.214 16 V CA -0.268 61.864 62.300 -0.279 0.000 0.984 16 V CB 2.495 33.932 31.823 -0.644 0.000 1.054 16 V HN 0.710 nan 8.190 nan 0.000 0.430 17 T N 7.380 121.848 114.554 -0.143 0.000 2.758 17 T HA 0.538 4.889 4.350 0.000 0.000 0.285 17 T C -0.176 174.499 174.700 -0.041 0.000 0.981 17 T CA -0.275 61.788 62.100 -0.063 0.000 0.965 17 T CB 0.676 69.520 68.868 -0.040 0.000 0.927 17 T HN 0.487 nan 8.240 nan 0.000 0.448 18 I N 3.156 123.728 120.570 0.003 0.000 2.588 18 I HA 0.146 4.316 4.170 0.000 0.000 0.283 18 I C 1.164 177.302 176.117 0.035 0.000 1.119 18 I CA 0.127 61.455 61.300 0.047 0.000 1.419 18 I CB 0.381 38.423 38.000 0.069 0.000 1.394 18 I HN 0.568 nan 8.210 nan 0.000 0.562 19 S N 3.914 119.643 115.700 0.049 0.000 2.686 19 S HA 0.508 4.978 4.470 0.000 0.000 0.270 19 S C 0.633 175.236 174.600 0.006 0.000 1.194 19 S CA -0.581 57.635 58.200 0.026 0.000 0.990 19 S CB 1.209 64.431 63.200 0.038 0.000 1.029 19 S HN 0.849 nan 8.310 nan 0.000 0.560 20 G N 0.166 108.959 108.800 -0.011 0.000 2.491 20 G HA2 0.435 4.395 3.960 0.000 0.000 0.238 20 G HA3 0.435 4.395 3.960 0.000 0.000 0.238 20 G C -0.056 174.829 174.900 -0.026 0.000 1.277 20 G CA -0.336 44.749 45.100 -0.026 0.000 0.851 20 G HN 0.891 nan 8.290 nan 0.000 0.573 21 A N 1.506 124.310 122.820 -0.027 0.000 2.491 21 A HA 0.252 4.572 4.320 0.000 0.000 0.261 21 A C 1.643 179.211 177.584 -0.027 0.000 1.101 21 A CA 0.336 52.355 52.037 -0.030 0.000 0.772 21 A CB 0.251 19.235 19.000 -0.026 0.000 1.043 21 A HN 0.930 nan 8.150 nan 0.000 0.501 22 K N 2.625 123.004 120.400 -0.034 0.000 2.032 22 K HA -0.185 4.136 4.320 0.000 0.000 0.209 22 K C 0.547 177.167 176.600 0.034 0.000 1.048 22 K CA 2.002 58.282 56.287 -0.012 0.000 0.927 22 K CB -0.139 32.339 32.500 -0.038 0.000 0.712 22 K HN 0.716 nan 8.250 nan 0.000 0.441 23 N N 0.078 118.801 118.700 0.038 0.000 2.501 23 N HA 0.008 4.748 4.740 0.000 0.000 0.195 23 N C 0.553 176.093 175.510 0.051 0.000 1.213 23 N CA 0.752 53.861 53.050 0.098 0.000 0.864 23 N CB 0.806 39.354 38.487 0.102 0.000 0.999 23 N HN 0.378 nan 8.380 nan 0.000 0.454 24 A N -0.173 122.646 122.820 -0.001 0.000 2.026 24 A HA 0.457 4.777 4.320 0.000 0.000 0.198 24 A C 2.103 179.637 177.584 -0.083 0.000 1.390 24 A CA 0.639 52.648 52.037 -0.048 0.000 0.915 24 A CB -0.313 18.671 19.000 -0.028 0.000 0.974 24 A HN 0.181 nan 8.150 nan 0.000 0.477 25 A N 0.377 123.164 122.820 -0.056 0.000 1.902 25 A HA 0.003 4.323 4.320 0.000 0.000 0.217 25 A C 2.104 179.650 177.584 -0.063 0.000 1.181 25 A CA 1.475 53.460 52.037 -0.086 0.000 0.623 25 A CB -0.662 18.302 19.000 -0.059 0.000 0.818 25 A HN 0.433 nan 8.150 nan 0.000 0.443 26 L N -0.036 121.216 121.223 0.049 0.000 1.994 26 L HA -0.112 4.228 4.340 0.000 0.000 0.208 26 L C -0.196 176.798 176.870 0.206 0.000 1.071 26 L CA 1.806 56.776 54.840 0.216 0.000 0.745 26 L CB -1.391 40.931 42.059 0.437 0.000 0.892 26 L HN 0.306 nan 8.230 nan 0.000 0.431 27 P HA -0.165 nan 4.420 nan 0.000 0.220 27 P C 1.794 178.931 177.300 -0.271 0.000 1.148 27 P CA 1.591 64.335 63.100 -0.593 0.000 0.803 27 P CB 0.066 31.147 31.700 -1.032 0.000 0.782 28 I N -0.737 119.674 120.570 -0.265 0.000 2.353 28 I HA -0.166 4.005 4.170 0.000 0.000 0.248 28 I C 2.620 178.517 176.117 -0.366 0.000 1.119 28 I CA 0.920 61.962 61.300 -0.430 0.000 1.417 28 I CB -0.481 37.105 38.000 -0.690 0.000 1.078 28 I HN -0.146 nan 8.210 nan 0.000 0.421 29 L N -0.368 120.711 121.223 -0.241 0.000 2.046 29 L HA -0.213 4.127 4.340 0.000 0.000 0.208 29 L C 2.407 179.185 176.870 -0.154 0.000 1.077 29 L CA 1.588 56.295 54.840 -0.222 0.000 0.747 29 L CB -0.475 41.429 42.059 -0.258 0.000 0.896 29 L HN 0.145 nan 8.230 nan 0.000 0.432 30 F N -0.470 119.479 119.950 -0.002 0.000 2.259 30 F HA -0.107 4.420 4.527 0.000 0.000 0.298 30 F C 2.549 178.395 175.800 0.076 0.000 1.088 30 F CA 0.885 58.928 58.000 0.072 0.000 1.358 30 F CB -0.445 38.638 39.000 0.139 0.000 1.040 30 F HN -0.004 nan 8.300 nan 0.000 0.505 31 A N 0.092 123.039 122.820 0.212 0.000 2.019 31 A HA -0.083 4.237 4.320 0.000 0.000 0.219 31 A C 2.342 180.098 177.584 0.287 0.000 1.164 31 A CA 1.428 53.598 52.037 0.222 0.000 0.644 31 A CB -1.131 18.024 19.000 0.257 0.000 0.805 31 A HN 0.294 nan 8.150 nan 0.000 0.449 32 A N -0.257 122.739 122.820 0.293 0.000 2.076 32 A HA -0.027 4.293 4.320 0.000 0.000 0.220 32 A C 1.954 179.653 177.584 0.191 0.000 1.160 32 A CA 1.239 53.442 52.037 0.278 0.000 0.653 32 A CB -0.587 18.521 19.000 0.181 0.000 0.801 32 A HN 0.500 nan 8.150 nan 0.000 0.455 33 L N -0.797 120.543 121.223 0.196 0.000 2.349 33 L HA -0.150 4.190 4.340 0.000 0.000 0.220 33 L C 2.059 179.071 176.870 0.237 0.000 1.130 33 L CA 0.644 55.623 54.840 0.232 0.000 0.791 33 L CB -0.321 41.907 42.059 0.282 0.000 0.918 33 L HN 0.431 nan 8.230 nan 0.000 0.444 34 L N -0.677 120.643 121.223 0.161 0.000 2.341 34 L HA 0.105 4.445 4.340 0.000 0.000 0.214 34 L C 1.403 178.293 176.870 0.033 0.000 1.115 34 L CA -0.323 54.563 54.840 0.076 0.000 0.820 34 L CB -0.339 41.739 42.059 0.031 0.000 0.944 34 L HN 0.112 nan 8.230 nan 0.000 0.452 35 A N 0.476 123.331 122.820 0.058 0.000 2.450 35 A HA 0.086 4.406 4.320 0.000 0.000 0.255 35 A C 0.989 178.606 177.584 0.055 0.000 1.096 35 A CA -0.128 51.928 52.037 0.032 0.000 0.778 35 A CB 0.197 19.229 19.000 0.054 0.000 1.031 35 A HN 0.317 nan 8.150 nan 0.000 0.494 36 E N 1.407 121.622 120.200 0.025 0.000 2.340 36 E HA 0.000 4.351 4.350 0.000 0.000 0.194 36 E C -0.192 176.435 176.600 0.046 0.000 0.996 36 E CA 0.490 56.911 56.400 0.037 0.000 0.869 36 E CB 0.394 30.098 29.700 0.006 0.000 0.835 36 E HN 0.826 nan 8.360 nan 0.000 0.493 37 E N 1.256 121.480 120.200 0.039 0.000 2.199 37 E HA 0.259 4.609 4.350 0.000 0.000 0.269 37 E C -2.642 173.999 176.600 0.068 0.000 0.899 37 E CA -2.612 53.816 56.400 0.047 0.000 0.772 37 E CB 1.743 31.462 29.700 0.031 0.000 1.155 37 E HN -0.176 nan 8.360 nan 0.000 0.408 38 P HA -0.164 nan 4.420 nan 0.000 0.266 38 P C -1.100 176.276 177.300 0.127 0.000 1.162 38 P CA 0.538 63.705 63.100 0.113 0.000 0.758 38 P CB 0.379 32.148 31.700 0.115 0.000 0.774 39 V N 2.468 122.473 119.914 0.152 0.000 2.914 39 V HA 0.464 4.584 4.120 0.000 0.000 0.314 39 V C -0.113 176.050 176.094 0.116 0.000 1.084 39 V CA -0.525 61.868 62.300 0.154 0.000 0.963 39 V CB 2.287 34.230 31.823 0.200 0.000 1.025 39 V HN 0.468 nan 8.190 nan 0.000 0.432 40 E N 2.766 122.994 120.200 0.047 0.000 2.244 40 E HA 0.536 4.887 4.350 0.000 0.000 0.260 40 E C -1.674 174.817 176.600 -0.181 0.000 0.884 40 E CA -0.534 55.737 56.400 -0.214 0.000 0.777 40 E CB 1.638 31.210 29.700 -0.214 0.000 1.197 40 E HN 0.662 nan 8.360 nan 0.000 0.416 41 I N 4.524 124.920 120.570 -0.290 0.000 2.328 41 I HA 0.184 4.354 4.170 0.000 0.000 0.287 41 I C 0.274 176.215 176.117 -0.292 0.000 1.012 41 I CA -0.496 60.673 61.300 -0.219 0.000 1.195 41 I CB 1.365 39.216 38.000 -0.249 0.000 1.350 41 I HN 0.373 nan 8.210 nan 0.000 0.464 42 Q N 3.985 123.654 119.800 -0.217 0.000 2.212 42 Q HA 0.279 4.619 4.340 0.000 0.000 0.238 42 Q C 0.376 176.281 176.000 -0.157 0.000 0.955 42 Q CA -0.719 54.956 55.803 -0.213 0.000 0.906 42 Q CB 0.711 29.349 28.738 -0.167 0.000 1.215 42 Q HN 0.581 nan 8.270 nan 0.000 0.478 43 N N -0.661 117.962 118.700 -0.129 0.000 2.735 43 N HA -0.167 4.573 4.740 0.000 0.000 0.248 43 N C -1.644 173.816 175.510 -0.082 0.000 1.083 43 N CA 0.248 53.244 53.050 -0.089 0.000 0.703 43 N CB -0.906 37.532 38.487 -0.082 0.000 1.005 43 N HN 0.329 nan 8.380 nan 0.000 0.550 44 V N 1.722 121.576 119.914 -0.099 0.000 2.432 44 V HA 0.367 4.487 4.120 0.000 0.000 0.271 44 V C -1.384 174.682 176.094 -0.048 0.000 1.046 44 V CA -1.057 61.193 62.300 -0.084 0.000 0.945 44 V CB 1.111 32.867 31.823 -0.112 0.000 0.992 44 V HN 0.213 nan 8.190 nan 0.000 0.471 45 P HA 0.152 nan 4.420 nan 0.000 0.272 45 P C -0.768 176.534 177.300 0.003 0.000 1.223 45 P CA -0.454 62.642 63.100 -0.006 0.000 0.784 45 P CB 0.864 32.561 31.700 -0.005 0.000 0.923 46 K N 2.641 123.054 120.400 0.022 0.000 2.206 46 K HA 0.382 4.702 4.320 0.000 0.000 0.268 46 K C -0.175 176.450 176.600 0.041 0.000 1.111 46 K CA -0.189 56.116 56.287 0.030 0.000 0.955 46 K CB -0.123 32.400 32.500 0.039 0.000 1.406 46 K HN 0.422 nan 8.250 nan 0.000 0.427 47 L N 1.141 122.384 121.223 0.033 0.000 2.323 47 L HA 0.358 4.699 4.340 0.000 0.000 0.265 47 L C 1.405 178.298 176.870 0.039 0.000 1.012 47 L CA -1.077 53.789 54.840 0.042 0.000 0.820 47 L CB 1.300 43.378 42.059 0.033 0.000 1.334 47 L HN 0.279 nan 8.230 nan 0.000 0.427 48 K N 0.715 121.143 120.400 0.046 0.000 2.063 48 K HA -0.172 4.148 4.320 0.000 0.000 0.208 48 K C 1.073 177.693 176.600 0.033 0.000 1.048 48 K CA 1.734 58.044 56.287 0.037 0.000 0.928 48 K CB 0.081 32.607 32.500 0.044 0.000 0.713 48 K HN 0.620 nan 8.250 nan 0.000 0.442 49 D N 0.591 121.017 120.400 0.042 0.000 2.178 49 D HA -0.124 4.516 4.640 0.000 0.000 0.201 49 D C 1.849 178.178 176.300 0.048 0.000 0.980 49 D CA 0.559 54.590 54.000 0.053 0.000 0.842 49 D CB 0.045 40.886 40.800 0.069 0.000 0.948 49 D HN 0.162 nan 8.370 nan 0.000 0.472 50 I N 1.368 121.956 120.570 0.029 0.000 2.315 50 I HA -0.168 4.003 4.170 0.000 0.000 0.248 50 I C 1.675 177.788 176.117 -0.007 0.000 1.117 50 I CA 1.040 62.343 61.300 0.004 0.000 1.404 50 I CB -0.739 37.259 38.000 -0.004 0.000 1.071 50 I HN -0.053 nan 8.210 nan 0.000 0.419 51 D N 0.661 121.065 120.400 0.006 0.000 2.097 51 D HA -0.127 4.514 4.640 0.000 0.000 0.197 51 D C 2.138 178.437 176.300 -0.002 0.000 0.984 51 D CA 1.590 55.592 54.000 0.003 0.000 0.826 51 D CB -0.283 40.522 40.800 0.008 0.000 0.973 51 D HN 0.242 nan 8.370 nan 0.000 0.460 52 T N 0.509 115.068 114.554 0.009 0.000 2.746 52 T HA -0.112 4.238 4.350 0.000 0.000 0.267 52 T C 2.029 176.738 174.700 0.016 0.000 1.039 52 T CA 1.612 63.722 62.100 0.016 0.000 1.142 52 T CB -0.448 68.437 68.868 0.029 0.000 0.866 52 T HN 0.145 nan 8.240 nan 0.000 0.444 53 T N 2.124 116.679 114.554 0.001 0.000 2.708 53 T HA 0.001 4.351 4.350 0.000 0.000 0.266 53 T C 2.061 176.674 174.700 -0.146 0.000 1.037 53 T CA 1.135 63.175 62.100 -0.099 0.000 1.146 53 T CB -0.353 68.405 68.868 -0.183 0.000 0.865 53 T HN 0.316 nan 8.240 nan 0.000 0.435 54 M N 0.579 120.123 119.600 -0.093 0.000 2.159 54 M HA -0.100 4.381 4.480 0.000 0.000 0.263 54 M C 2.409 178.683 176.300 -0.044 0.000 1.063 54 M CA 1.509 56.766 55.300 -0.071 0.000 1.110 54 M CB -0.301 32.278 32.600 -0.035 0.000 1.374 54 M HN 0.115 nan 8.290 nan 0.000 0.411 55 K N 0.878 121.262 120.400 -0.026 0.000 2.032 55 K HA -0.178 4.142 4.320 0.000 0.000 0.209 55 K C 1.912 178.507 176.600 -0.007 0.000 1.048 55 K CA 1.310 57.591 56.287 -0.011 0.000 0.927 55 K CB -0.210 32.288 32.500 -0.003 0.000 0.712 55 K HN 0.297 nan 8.250 nan 0.000 0.441 56 L N 1.042 122.266 121.223 0.001 0.000 1.994 56 L HA -0.195 4.145 4.340 0.000 0.000 0.208 56 L C 2.198 179.071 176.870 0.004 0.000 1.071 56 L CA 1.216 56.074 54.840 0.030 0.000 0.745 56 L CB -0.235 41.884 42.059 0.099 0.000 0.892 56 L HN 0.284 nan 8.230 nan 0.000 0.431 57 L N -0.647 120.547 121.223 -0.048 0.000 2.013 57 L HA -0.273 4.067 4.340 0.000 0.000 0.212 57 L C 2.530 179.380 176.870 -0.033 0.000 1.073 57 L CA 2.039 56.847 54.840 -0.052 0.000 0.753 57 L CB -1.024 40.974 42.059 -0.101 0.000 0.890 57 L HN 0.317 nan 8.230 nan 0.000 0.432 58 T N -1.249 113.287 114.554 -0.030 0.000 2.759 58 T HA -0.294 4.056 4.350 0.000 0.000 0.269 58 T C 1.826 176.506 174.700 -0.034 0.000 1.042 58 T CA 1.439 63.524 62.100 -0.024 0.000 1.140 58 T CB -0.193 68.665 68.868 -0.016 0.000 0.864 58 T HN 0.371 nan 8.240 nan 0.000 0.455 59 Q N 0.213 119.996 119.800 -0.029 0.000 2.364 59 Q HA 0.031 4.371 4.340 0.000 0.000 0.207 59 Q C 1.749 177.706 176.000 -0.070 0.000 0.970 59 Q CA 0.765 56.547 55.803 -0.036 0.000 0.888 59 Q CB -0.163 28.568 28.738 -0.012 0.000 0.951 59 Q HN 0.507 nan 8.270 nan 0.000 0.469 60 L N -1.034 120.143 121.223 -0.077 0.000 2.591 60 L HA 0.205 4.545 4.340 0.000 0.000 0.228 60 L C 0.989 177.740 176.870 -0.198 0.000 1.133 60 L CA 0.506 55.256 54.840 -0.151 0.000 0.880 60 L CB 0.308 42.308 42.059 -0.098 0.000 1.033 60 L HN 0.431 nan 8.230 nan 0.000 0.450 61 G N 0.254 108.979 108.800 -0.124 0.000 2.141 61 G HA2 -0.205 3.756 3.960 0.000 0.000 0.195 61 G HA3 -0.205 3.756 3.960 0.000 0.000 0.195 61 G C 0.111 174.977 174.900 -0.057 0.000 1.012 61 G CA -0.058 44.978 45.100 -0.106 0.000 0.696 61 G HN 0.214 nan 8.290 nan 0.000 0.508 62 T N 0.569 115.102 114.554 -0.035 0.000 2.907 62 T HA 0.550 4.901 4.350 0.000 0.000 0.284 62 T C 0.290 174.994 174.700 0.007 0.000 1.004 62 T CA -0.271 61.830 62.100 0.000 0.000 1.063 62 T CB 1.539 70.411 68.868 0.007 0.000 0.992 62 T HN 0.270 nan 8.240 nan 0.000 0.483 63 K N 2.183 122.600 120.400 0.028 0.000 2.264 63 K HA 0.579 4.899 4.320 0.000 0.000 0.277 63 K C -1.045 175.587 176.600 0.052 0.000 1.067 63 K CA -0.499 55.808 56.287 0.033 0.000 0.900 63 K CB 0.979 33.502 32.500 0.038 0.000 1.124 63 K HN 0.260 nan 8.250 nan 0.000 0.469 64 V N 2.921 122.862 119.914 0.045 0.000 2.735 64 V HA 0.448 4.569 4.120 0.000 0.000 0.310 64 V C -0.593 175.549 176.094 0.081 0.000 1.061 64 V CA -0.872 61.466 62.300 0.064 0.000 0.913 64 V CB 1.825 33.663 31.823 0.025 0.000 1.005 64 V HN 0.901 nan 8.190 nan 0.000 0.428 65 E N 3.770 124.055 120.200 0.143 0.000 2.375 65 E HA 0.786 5.136 4.350 0.000 0.000 0.280 65 E C -1.164 175.615 176.600 0.299 0.000 0.972 65 E CA -1.256 55.243 56.400 0.164 0.000 0.782 65 E CB 2.662 32.431 29.700 0.115 0.000 1.229 65 E HN 0.764 nan 8.360 nan 0.000 0.439 66 R N 0.461 121.115 120.500 0.256 0.000 2.810 66 R HA 0.450 4.791 4.340 0.000 0.000 0.266 66 R C -0.664 175.809 176.300 0.290 0.000 1.061 66 R CA -0.408 55.876 56.100 0.306 0.000 0.943 66 R CB 0.524 30.896 30.300 0.120 0.000 1.237 66 R HN 0.554 nan 8.270 nan 0.000 0.459 67 D N 0.224 120.788 120.400 0.274 0.000 2.256 67 D HA 0.079 4.719 4.640 0.000 0.000 0.279 67 D C 1.398 177.763 176.300 0.109 0.000 1.209 67 D CA 0.883 55.006 54.000 0.205 0.000 0.946 67 D CB -1.013 39.921 40.800 0.224 0.000 0.914 67 D HN 0.614 nan 8.370 nan 0.000 0.278 68 G N -1.069 107.776 108.800 0.074 0.000 2.744 68 G HA2 0.178 4.138 3.960 0.000 0.000 0.211 68 G HA3 0.178 4.138 3.960 0.000 0.000 0.211 68 G C 0.465 175.296 174.900 -0.115 0.000 1.146 68 G CA 0.199 45.293 45.100 -0.010 0.000 0.787 68 G HN 0.360 nan 8.290 nan 0.000 0.534 69 S N -1.149 114.402 115.700 -0.248 0.000 2.704 69 S HA 0.663 5.133 4.470 0.000 0.000 0.305 69 S C -0.858 173.385 174.600 -0.595 0.000 1.107 69 S CA -0.493 57.357 58.200 -0.584 0.000 0.993 69 S CB 2.449 64.989 63.200 -1.101 0.000 1.110 69 S HN -0.052 nan 8.310 nan 0.000 0.534 70 V N 1.873 121.442 119.914 -0.574 0.000 2.444 70 V HA 0.359 4.479 4.120 0.000 0.000 0.294 70 V C -1.053 174.840 176.094 -0.334 0.000 1.022 70 V CA -0.616 61.522 62.300 -0.269 0.000 0.850 70 V CB 1.140 32.870 31.823 -0.154 0.000 0.992 70 V HN 0.781 nan 8.190 nan 0.000 0.426 71 W N 5.497 126.798 121.300 0.002 0.000 2.361 71 W HA 0.577 5.237 4.660 0.000 0.000 0.309 71 W C -0.738 175.789 176.519 0.012 0.000 1.122 71 W CA -0.579 56.775 57.345 0.015 0.000 1.208 71 W CB 1.642 31.111 29.460 0.015 0.000 1.246 71 W HN 0.298 nan 8.180 nan 0.000 0.490 72 I N 3.139 123.817 120.570 0.181 0.000 2.509 72 I HA 0.157 4.327 4.170 0.000 0.000 0.293 72 I C -0.539 175.657 176.117 0.132 0.000 1.020 72 I CA -0.574 60.801 61.300 0.124 0.000 1.088 72 I CB 1.915 39.960 38.000 0.076 0.000 1.267 72 I HN 0.287 nan 8.210 nan 0.000 0.430 73 D N 4.908 125.372 120.400 0.107 0.000 2.346 73 D HA 0.495 5.135 4.640 0.000 0.000 0.255 73 D C 0.101 176.453 176.300 0.086 0.000 1.276 73 D CA -0.277 53.782 54.000 0.097 0.000 0.941 73 D CB 1.456 42.307 40.800 0.084 0.000 1.199 73 D HN 0.597 nan 8.370 nan 0.000 0.537 74 A N 2.315 125.197 122.820 0.103 0.000 2.415 74 A HA 0.140 4.460 4.320 0.000 0.000 0.248 74 A C 1.924 179.599 177.584 0.152 0.000 1.299 74 A CA 0.531 52.641 52.037 0.121 0.000 0.899 74 A CB -0.295 18.796 19.000 0.152 0.000 0.997 74 A HN 0.482 nan 8.150 nan 0.000 0.506 75 S N 0.555 116.326 115.700 0.118 0.000 2.380 75 S HA -0.231 4.239 4.470 0.000 0.000 0.229 75 S C 0.970 175.656 174.600 0.142 0.000 1.043 75 S CA 1.796 60.066 58.200 0.117 0.000 1.038 75 S CB -0.474 62.775 63.200 0.082 0.000 0.872 75 S HN 0.563 nan 8.310 nan 0.000 0.456 76 N N 0.862 119.628 118.700 0.110 0.000 3.040 76 N HA 0.342 5.082 4.740 0.000 0.000 0.305 76 N C -1.375 174.161 175.510 0.043 0.000 1.611 76 N CA -0.286 52.819 53.050 0.092 0.000 1.049 76 N CB 0.809 39.325 38.487 0.050 0.000 1.342 76 N HN 0.178 nan 8.380 nan 0.000 0.497 77 V N 2.641 122.599 119.914 0.074 0.000 2.415 77 V HA 0.100 4.220 4.120 0.000 0.000 0.267 77 V C 0.933 176.803 176.094 -0.374 0.000 1.042 77 V CA -0.132 62.070 62.300 -0.163 0.000 1.000 77 V CB 0.558 32.250 31.823 -0.219 0.000 1.015 77 V HN 0.690 nan 8.190 nan 0.000 0.478 78 N N 3.920 122.355 118.700 -0.442 0.000 2.510 78 N HA 0.026 4.766 4.740 0.000 0.000 0.186 78 N C 0.664 175.517 175.510 -1.095 0.000 1.051 78 N CA -0.153 52.584 53.050 -0.522 0.000 0.877 78 N CB -0.029 38.314 38.487 -0.240 0.000 1.183 78 N HN 0.593 nan 8.380 nan 0.000 0.443 79 N N -0.670 117.468 118.700 -0.936 0.000 2.495 79 N HA 0.246 4.986 4.740 0.000 0.000 0.280 79 N C -1.333 173.450 175.510 -1.211 0.000 1.168 79 N CA -0.630 51.880 53.050 -0.901 0.000 0.978 79 N CB 0.540 38.795 38.487 -0.386 0.000 1.191 79 N HN 0.143 nan 8.380 nan 0.000 0.497 80 F N -0.166 119.733 119.950 -0.085 0.000 2.810 80 F HA 0.328 4.856 4.527 0.000 0.000 0.353 80 F C -0.067 175.742 175.800 0.014 0.000 1.227 80 F CA -0.609 57.356 58.000 -0.057 0.000 1.210 80 F CB -0.205 38.760 39.000 -0.058 0.000 1.039 80 F HN 0.372 nan 8.300 nan 0.000 0.509 81 S N 0.242 116.005 115.700 0.105 0.000 2.546 81 S HA 0.902 5.373 4.470 0.000 0.000 0.274 81 S C -0.845 173.841 174.600 0.143 0.000 1.121 81 S CA -0.800 57.486 58.200 0.142 0.000 0.887 81 S CB 2.189 65.448 63.200 0.100 0.000 1.094 81 S HN 0.252 nan 8.310 nan 0.000 0.474 82 A N 3.220 126.162 122.820 0.203 0.000 2.285 82 A HA 0.779 5.099 4.320 0.000 0.000 0.310 82 A C -2.572 175.159 177.584 0.245 0.000 1.266 82 A CA -2.022 50.122 52.037 0.178 0.000 0.832 82 A CB 0.325 19.412 19.000 0.146 0.000 1.163 82 A HN 0.685 nan 8.150 nan 0.000 0.499 83 P HA -0.078 nan 4.420 nan 0.000 0.269 83 P C 0.339 177.750 177.300 0.185 0.000 1.215 83 P CA 0.106 63.376 63.100 0.284 0.000 0.780 83 P CB 0.638 32.449 31.700 0.185 0.000 0.898 84 Y N 3.357 123.694 120.300 0.061 0.000 2.014 84 Y HA -0.313 4.237 4.550 0.000 0.000 0.272 84 Y C 2.168 178.049 175.900 -0.031 0.000 1.164 84 Y CA 2.815 60.873 58.100 -0.070 0.000 1.114 84 Y CB -1.074 37.363 38.460 -0.038 0.000 0.961 84 Y HN 0.459 nan 8.280 nan 0.000 0.489 85 D N -0.165 120.251 120.400 0.027 0.000 2.271 85 D HA -0.252 4.388 4.640 0.000 0.000 0.207 85 D C 2.148 178.385 176.300 -0.105 0.000 0.983 85 D CA 1.586 55.533 54.000 -0.088 0.000 0.878 85 D CB -0.638 40.188 40.800 0.042 0.000 0.920 85 D HN 0.540 nan 8.370 nan 0.000 0.479 86 L N 0.652 121.842 121.223 -0.054 0.000 2.200 86 L HA -0.057 4.283 4.340 0.000 0.000 0.200 86 L C 2.674 179.502 176.870 -0.070 0.000 1.072 86 L CA 0.587 55.405 54.840 -0.036 0.000 0.787 86 L CB 0.030 42.102 42.059 0.021 0.000 0.957 86 L HN 0.012 nan 8.230 nan 0.000 0.459 87 V N -0.739 119.121 119.914 -0.091 0.000 2.809 87 V HA -0.202 3.918 4.120 0.000 0.000 0.256 87 V C 2.255 178.231 176.094 -0.196 0.000 1.080 87 V CA 1.697 63.927 62.300 -0.117 0.000 1.102 87 V CB -0.861 30.892 31.823 -0.116 0.000 0.705 87 V HN 0.622 nan 8.190 nan 0.000 0.475 88 K N 1.687 121.898 120.400 -0.316 0.000 2.442 88 K HA -0.092 4.228 4.320 0.000 0.000 0.198 88 K C 1.733 178.198 176.600 -0.224 0.000 1.042 88 K CA 1.693 57.749 56.287 -0.384 0.000 0.958 88 K CB -0.669 31.416 32.500 -0.691 0.000 0.766 88 K HN 0.661 nan 8.250 nan 0.000 0.474 89 T N -2.216 112.240 114.554 -0.163 0.000 3.022 89 T HA 0.197 4.547 4.350 0.000 0.000 0.250 89 T C 0.564 175.224 174.700 -0.067 0.000 1.060 89 T CA -0.416 61.621 62.100 -0.105 0.000 1.013 89 T CB 0.055 68.870 68.868 -0.089 0.000 0.982 89 T HN 0.265 nan 8.240 nan 0.000 0.508 90 M N 2.155 121.712 119.600 -0.073 0.000 2.356 90 M HA 0.330 4.810 4.480 0.000 0.000 0.215 90 M C 0.429 176.672 176.300 -0.095 0.000 0.978 90 M CA -0.595 54.674 55.300 -0.051 0.000 0.972 90 M CB 1.279 33.886 32.600 0.012 0.000 2.529 90 M HN 0.160 nan 8.290 nan 0.000 0.447 91 R N 1.979 122.393 120.500 -0.144 0.000 2.285 91 R HA 0.092 4.432 4.340 0.000 0.000 0.213 91 R C 1.061 177.164 176.300 -0.327 0.000 1.068 91 R CA 1.419 57.391 56.100 -0.214 0.000 1.004 91 R CB -0.324 29.849 30.300 -0.212 0.000 0.873 91 R HN 0.629 nan 8.270 nan 0.000 0.467 92 A N 1.659 124.293 122.820 -0.311 0.000 2.172 92 A HA -0.097 4.223 4.320 0.000 0.000 0.216 92 A C 2.112 179.391 177.584 -0.508 0.000 1.154 92 A CA 1.122 52.848 52.037 -0.519 0.000 0.701 92 A CB -0.417 18.443 19.000 -0.234 0.000 0.789 92 A HN 0.590 nan 8.150 nan 0.000 0.465 93 S N -0.212 115.327 115.700 -0.269 0.000 2.507 93 S HA -0.119 4.352 4.470 0.000 0.000 0.235 93 S C 1.582 175.946 174.600 -0.393 0.000 0.988 93 S CA 0.970 59.027 58.200 -0.238 0.000 0.944 93 S CB -0.586 62.654 63.200 0.067 0.000 0.762 93 S HN 0.452 nan 8.310 nan 0.000 0.526 94 I N 1.057 121.373 120.570 -0.423 0.000 2.530 94 I HA -0.037 4.134 4.170 0.000 0.000 0.257 94 I C 1.491 177.450 176.117 -0.262 0.000 1.179 94 I CA 0.645 61.734 61.300 -0.353 0.000 1.440 94 I CB -0.636 37.059 38.000 -0.508 0.000 1.087 94 I HN 0.359 nan 8.210 nan 0.000 0.440 95 W N 0.538 121.523 121.300 -0.525 0.000 2.848 95 W HA 0.085 4.746 4.660 0.000 0.000 0.241 95 W C 2.271 178.595 176.519 -0.325 0.000 1.289 95 W CA 0.714 57.793 57.345 -0.444 0.000 1.396 95 W CB -1.149 27.960 29.460 -0.585 0.000 1.138 95 W HN 0.319 nan 8.180 nan 0.000 0.677 96 A N -0.459 122.309 122.820 -0.087 0.000 1.975 96 A HA -0.052 4.268 4.320 0.000 0.000 0.215 96 A C 1.943 179.654 177.584 0.211 0.000 1.170 96 A CA 0.658 52.838 52.037 0.238 0.000 0.656 96 A CB -0.605 18.596 19.000 0.334 0.000 0.821 96 A HN 0.118 nan 8.150 nan 0.000 0.449 97 L N 0.445 121.753 121.223 0.141 0.000 1.990 97 L HA -0.121 4.220 4.340 0.000 0.000 0.213 97 L C 2.418 179.384 176.870 0.159 0.000 1.072 97 L CA 2.423 57.350 54.840 0.144 0.000 0.755 97 L CB -1.061 41.061 42.059 0.105 0.000 0.889 97 L HN 0.328 nan 8.230 nan 0.000 0.432 98 G N -0.786 108.115 108.800 0.169 0.000 2.545 98 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 98 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 98 G C -0.597 174.391 174.900 0.147 0.000 1.218 98 G CA 1.034 46.224 45.100 0.151 0.000 0.787 98 G HN 0.383 nan 8.290 nan 0.000 0.571 99 P HA -0.046 nan 4.420 nan 0.000 0.215 99 P C 2.155 179.602 177.300 0.245 0.000 1.153 99 P CA 0.734 63.947 63.100 0.189 0.000 0.853 99 P CB -0.130 31.708 31.700 0.231 0.000 0.788 100 L N -1.164 120.240 121.223 0.300 0.000 1.989 100 L HA -0.177 4.163 4.340 0.000 0.000 0.211 100 L C 2.375 179.416 176.870 0.284 0.000 1.071 100 L CA 1.572 56.649 54.840 0.396 0.000 0.749 100 L CB -1.220 41.039 42.059 0.333 0.000 0.890 100 L HN -0.116 nan 8.230 nan 0.000 0.431 101 V N -0.094 119.917 119.914 0.163 0.000 2.427 101 V HA -0.248 3.872 4.120 0.000 0.000 0.248 101 V C 2.674 178.798 176.094 0.049 0.000 1.051 101 V CA 1.706 64.055 62.300 0.082 0.000 1.048 101 V CB -0.683 31.178 31.823 0.064 0.000 0.666 101 V HN 0.480 nan 8.190 nan 0.000 0.456 102 A N -0.307 122.546 122.820 0.056 0.000 1.969 102 A HA -0.196 4.124 4.320 0.000 0.000 0.218 102 A C 2.406 179.960 177.584 -0.050 0.000 1.169 102 A CA 1.935 53.977 52.037 0.007 0.000 0.635 102 A CB -0.369 18.641 19.000 0.017 0.000 0.810 102 A HN 0.502 nan 8.150 nan 0.000 0.445 103 R N -2.383 118.075 120.500 -0.069 0.000 2.146 103 R HA 0.169 4.509 4.340 0.000 0.000 0.206 103 R C 0.511 176.494 176.300 -0.530 0.000 1.049 103 R CA 0.650 56.559 56.100 -0.319 0.000 1.029 103 R CB 0.064 30.101 30.300 -0.438 0.000 0.949 103 R HN 0.437 nan 8.270 nan 0.000 0.471 104 F N -0.392 119.528 119.950 -0.051 0.000 2.661 104 F HA 0.407 4.934 4.527 0.000 0.000 0.306 104 F C 1.290 176.942 175.800 -0.245 0.000 1.094 104 F CA 0.332 58.230 58.000 -0.170 0.000 1.254 104 F CB 1.343 40.147 39.000 -0.326 0.000 1.040 104 F HN 0.259 nan 8.300 nan 0.000 0.562 105 G N 1.054 109.833 108.800 -0.035 0.000 2.196 105 G HA2 -0.286 3.674 3.960 0.000 0.000 0.268 105 G HA3 -0.286 3.674 3.960 0.000 0.000 0.268 105 G C 0.126 174.982 174.900 -0.073 0.000 0.975 105 G CA 0.722 45.790 45.100 -0.054 0.000 0.648 105 G HN 0.536 nan 8.290 nan 0.000 0.538 106 Q N -1.909 117.825 119.800 -0.110 0.000 2.575 106 Q HA 0.677 5.017 4.340 0.000 0.000 0.290 106 Q C -0.420 175.555 176.000 -0.042 0.000 0.963 106 Q CA -0.532 55.207 55.803 -0.108 0.000 0.783 106 Q CB 1.754 30.376 28.738 -0.194 0.000 1.467 106 Q HN 1.712 nan 8.270 nan 0.000 0.402 107 G N 0.950 109.778 108.800 0.047 0.000 2.402 107 G HA2 0.406 4.366 3.960 0.000 0.000 0.301 107 G HA3 0.406 4.366 3.960 0.000 0.000 0.301 107 G C -2.236 172.747 174.900 0.138 0.000 1.615 107 G CA -0.416 44.770 45.100 0.143 0.000 0.889 107 G HN 0.823 nan 8.290 nan 0.000 0.647 108 Q N -0.081 119.823 119.800 0.173 0.000 2.280 108 Q HA 0.651 4.991 4.340 0.000 0.000 0.259 108 Q C -1.819 174.333 176.000 0.252 0.000 0.964 108 Q CA -0.982 54.936 55.803 0.192 0.000 0.844 108 Q CB 2.372 31.212 28.738 0.170 0.000 1.334 108 Q HN 0.584 nan 8.270 nan 0.000 0.423 109 V N 1.594 121.636 119.914 0.213 0.000 2.628 109 V HA 0.422 4.542 4.120 0.000 0.000 0.306 109 V C 0.106 176.217 176.094 0.027 0.000 1.045 109 V CA -0.749 61.637 62.300 0.145 0.000 0.905 109 V CB 1.831 33.682 31.823 0.047 0.000 0.997 109 V HN 0.898 nan 8.190 nan 0.000 0.436 110 S N 4.102 119.692 115.700 -0.184 0.000 2.525 110 S HA 0.196 4.666 4.470 0.000 0.000 0.285 110 S C -0.091 174.350 174.600 -0.265 0.000 1.283 110 S CA -0.413 57.429 58.200 -0.598 0.000 1.072 110 S CB -0.044 62.833 63.200 -0.538 0.000 0.867 110 S HN 0.643 nan 8.310 nan 0.000 0.492 111 L N 8.111 129.200 121.223 -0.222 0.000 2.562 111 L HA 0.233 4.573 4.340 0.000 0.000 0.271 111 L C -1.663 175.149 176.870 -0.097 0.000 1.167 111 L CA -1.468 53.301 54.840 -0.118 0.000 0.917 111 L CB 0.481 42.497 42.059 -0.072 0.000 1.187 111 L HN 0.597 nan 8.230 nan 0.000 0.482 112 P HA 0.084 nan 4.420 nan 0.000 0.268 112 P C 0.004 177.266 177.300 -0.064 0.000 1.205 112 P CA -0.213 62.822 63.100 -0.108 0.000 0.771 112 P CB 0.972 32.581 31.700 -0.151 0.000 0.858 113 G N 1.944 110.720 108.800 -0.040 0.000 2.504 113 G HA2 0.464 4.424 3.960 0.000 0.000 0.257 113 G HA3 0.464 4.424 3.960 0.000 0.000 0.257 113 G C 0.242 175.124 174.900 -0.029 0.000 1.451 113 G CA -0.396 44.697 45.100 -0.012 0.000 1.059 113 G HN 0.625 nan 8.290 nan 0.000 0.550 114 G N -2.109 106.681 108.800 -0.015 0.000 2.569 114 G HA2 0.405 4.366 3.960 0.000 0.000 0.249 114 G HA3 0.405 4.366 3.960 0.000 0.000 0.249 114 G C -0.355 174.527 174.900 -0.030 0.000 1.216 114 G CA 0.073 45.163 45.100 -0.018 0.000 0.845 114 G HN 0.697 nan 8.290 nan 0.000 0.568 115 C N 0.208 119.486 119.300 -0.037 0.000 2.630 115 C HA 0.714 5.174 4.460 0.000 0.000 0.346 115 C C 1.982 176.942 174.990 -0.050 0.000 1.245 115 C CA 0.260 59.244 59.018 -0.056 0.000 1.804 115 C CB 1.233 28.916 27.740 -0.095 0.000 2.279 115 C HN 1.014 nan 8.230 nan 0.000 0.498 116 A N 1.492 124.277 122.820 -0.058 0.000 1.877 116 A HA -0.070 4.250 4.320 0.000 0.000 0.216 116 A C 1.716 179.257 177.584 -0.071 0.000 1.186 116 A CA 2.097 54.103 52.037 -0.052 0.000 0.620 116 A CB -0.716 18.250 19.000 -0.057 0.000 0.822 116 A HN 1.063 nan 8.150 nan 0.000 0.443 117 I N -4.146 116.344 120.570 -0.133 0.000 3.564 117 I HA 0.454 4.624 4.170 0.000 0.000 0.294 117 I C 0.745 176.827 176.117 -0.057 0.000 1.289 117 I CA 0.476 61.688 61.300 -0.147 0.000 1.325 117 I CB -0.331 37.472 38.000 -0.327 0.000 1.039 117 I HN 0.290 nan 8.210 nan 0.000 0.474 118 G N -0.130 108.657 108.800 -0.023 0.000 2.340 118 G HA2 0.422 4.382 3.960 0.000 0.000 0.298 118 G HA3 0.422 4.382 3.960 0.000 0.000 0.298 118 G C 0.050 174.979 174.900 0.049 0.000 1.498 118 G CA -0.277 44.869 45.100 0.077 0.000 0.847 118 G HN 0.028 nan 8.290 nan 0.000 0.594 119 A N 0.010 122.861 122.820 0.052 0.000 2.015 119 A HA 0.201 4.521 4.320 0.000 0.000 0.219 119 A C 1.587 179.188 177.584 0.029 0.000 1.163 119 A CA 1.647 53.700 52.037 0.027 0.000 0.646 119 A CB -0.547 18.464 19.000 0.019 0.000 0.806 119 A HN 1.340 nan 8.150 nan 0.000 0.448 120 R N -0.927 119.618 120.500 0.075 0.000 3.038 120 R HA -0.133 4.207 4.340 0.000 0.000 0.242 120 R C -2.217 174.094 176.300 0.018 0.000 0.866 120 R CA 0.422 56.571 56.100 0.082 0.000 0.601 120 R CB -1.921 28.425 30.300 0.077 0.000 1.107 120 R HN 0.557 nan 8.270 nan 0.000 0.492 121 P HA -0.002 nan 4.420 nan 0.000 0.271 121 P C 0.216 177.521 177.300 0.008 0.000 1.233 121 P CA -0.171 62.930 63.100 0.002 0.000 0.789 121 P CB 0.983 32.688 31.700 0.008 0.000 0.951 122 V N 0.824 120.737 119.914 -0.001 0.000 3.070 122 V HA -0.012 4.108 4.120 0.000 0.000 0.345 122 V C 1.669 177.841 176.094 0.130 0.000 1.403 122 V CA 0.193 62.502 62.300 0.014 0.000 1.155 122 V CB -0.553 31.150 31.823 -0.199 0.000 1.140 122 V HN 0.620 nan 8.190 nan 0.000 0.505 123 D N 0.413 120.872 120.400 0.098 0.000 2.133 123 D HA -0.273 4.367 4.640 0.000 0.000 0.195 123 D C 1.777 178.174 176.300 0.162 0.000 0.997 123 D CA 1.569 55.632 54.000 0.105 0.000 0.840 123 D CB -0.120 40.710 40.800 0.049 0.000 0.947 123 D HN 0.509 nan 8.370 nan 0.000 0.452 124 L N -0.039 121.272 121.223 0.146 0.000 2.201 124 L HA -0.126 4.214 4.340 0.000 0.000 0.212 124 L C 2.827 179.813 176.870 0.194 0.000 1.105 124 L CA 0.902 55.826 54.840 0.140 0.000 0.775 124 L CB -0.642 41.436 42.059 0.031 0.000 0.913 124 L HN 0.137 nan 8.230 nan 0.000 0.440 125 H N 0.075 119.215 119.070 0.117 0.000 2.293 125 H HA -0.131 4.426 4.556 0.000 0.000 0.300 125 H C 2.458 177.853 175.328 0.112 0.000 1.082 125 H CA 1.871 57.985 56.048 0.110 0.000 1.308 125 H CB 0.038 29.839 29.762 0.066 0.000 1.375 125 H HN 0.313 nan 8.280 nan 0.000 0.495 126 I N 0.385 121.104 120.570 0.248 0.000 2.179 126 I HA -0.296 3.874 4.170 0.000 0.000 0.242 126 I C 2.579 178.786 176.117 0.151 0.000 1.088 126 I CA 1.222 62.619 61.300 0.163 0.000 1.357 126 I CB -0.408 37.672 38.000 0.133 0.000 1.051 126 I HN 0.083 nan 8.210 nan 0.000 0.409 127 F N 1.922 121.901 119.950 0.049 0.000 2.120 127 F HA -0.193 4.334 4.527 0.000 0.000 0.300 127 F C 2.255 178.069 175.800 0.022 0.000 1.095 127 F CA 1.822 59.839 58.000 0.027 0.000 1.249 127 F CB -0.791 38.219 39.000 0.017 0.000 0.995 127 F HN -0.007 nan 8.300 nan 0.000 0.480 128 G N 0.830 109.654 108.800 0.041 0.000 2.404 128 G HA2 -0.195 3.765 3.960 0.000 0.000 0.215 128 G HA3 -0.195 3.765 3.960 0.000 0.000 0.215 128 G C 1.763 176.596 174.900 -0.112 0.000 1.174 128 G CA 1.025 46.077 45.100 -0.081 0.000 0.780 128 G HN 0.445 nan 8.290 nan 0.000 0.537 129 L N 0.067 121.275 121.223 -0.026 0.000 2.046 129 L HA -0.066 4.275 4.340 0.000 0.000 0.208 129 L C 2.887 179.719 176.870 -0.063 0.000 1.077 129 L CA 1.252 56.082 54.840 -0.016 0.000 0.747 129 L CB -0.469 41.612 42.059 0.037 0.000 0.896 129 L HN 0.301 nan 8.230 nan 0.000 0.432 130 E N 0.006 120.151 120.200 -0.091 0.000 2.085 130 E HA -0.211 4.139 4.350 0.000 0.000 0.194 130 E C 2.115 178.614 176.600 -0.169 0.000 0.994 130 E CA 0.920 57.254 56.400 -0.110 0.000 0.801 130 E CB 0.070 29.710 29.700 -0.099 0.000 0.743 130 E HN 0.305 nan 8.360 nan 0.000 0.453 131 K N 0.371 120.594 120.400 -0.295 0.000 2.283 131 K HA -0.073 4.247 4.320 0.000 0.000 0.202 131 K C 1.853 178.363 176.600 -0.150 0.000 1.048 131 K CA 0.642 56.758 56.287 -0.286 0.000 0.948 131 K CB 0.012 32.242 32.500 -0.449 0.000 0.742 131 K HN 0.244 nan 8.250 nan 0.000 0.458 132 L N -0.377 120.777 121.223 -0.115 0.000 2.591 132 L HA 0.059 4.399 4.340 0.000 0.000 0.228 132 L C 1.160 178.000 176.870 -0.051 0.000 1.133 132 L CA 0.450 55.250 54.840 -0.066 0.000 0.880 132 L CB 0.008 42.040 42.059 -0.046 0.000 1.033 132 L HN 0.379 nan 8.230 nan 0.000 0.450 133 G N -0.451 108.314 108.800 -0.058 0.000 2.201 133 G HA2 -0.218 3.742 3.960 0.000 0.000 0.212 133 G HA3 -0.218 3.742 3.960 0.000 0.000 0.212 133 G C 0.418 175.300 174.900 -0.031 0.000 0.994 133 G CA -0.136 44.940 45.100 -0.042 0.000 0.644 133 G HN 0.424 nan 8.290 nan 0.000 0.508 134 A N 0.191 122.994 122.820 -0.028 0.000 2.407 134 A HA 0.611 4.931 4.320 0.000 0.000 0.248 134 A C 0.340 177.918 177.584 -0.009 0.000 1.082 134 A CA 0.787 52.817 52.037 -0.012 0.000 0.785 134 A CB 0.480 19.481 19.000 0.002 0.000 1.020 134 A HN 0.627 nan 8.150 nan 0.000 0.489 135 E N 1.391 121.590 120.200 -0.000 0.000 2.133 135 E HA 0.553 4.903 4.350 0.000 0.000 0.274 135 E C -1.359 175.251 176.600 0.017 0.000 0.930 135 E CA -0.329 56.074 56.400 0.005 0.000 0.770 135 E CB 0.631 30.333 29.700 0.003 0.000 1.104 135 E HN 0.554 nan 8.360 nan 0.000 0.403 136 I N 5.168 125.752 120.570 0.023 0.000 2.418 136 I HA 0.338 4.508 4.170 0.000 0.000 0.287 136 I C -0.420 175.720 176.117 0.038 0.000 1.008 136 I CA -0.824 60.498 61.300 0.036 0.000 1.104 136 I CB 1.588 39.614 38.000 0.045 0.000 1.264 136 I HN 0.430 nan 8.210 nan 0.000 0.438 137 K N 5.805 126.231 120.400 0.042 0.000 2.395 137 K HA 0.785 5.106 4.320 0.000 0.000 0.247 137 K C -1.562 175.070 176.600 0.054 0.000 0.973 137 K CA -0.980 55.332 56.287 0.041 0.000 0.828 137 K CB 2.816 35.336 32.500 0.034 0.000 1.272 137 K HN 0.425 nan 8.250 nan 0.000 0.439 138 L N 1.824 123.078 121.223 0.051 0.000 2.298 138 L HA 0.397 4.737 4.340 0.000 0.000 0.284 138 L C -1.431 175.478 176.870 0.064 0.000 1.013 138 L CA 0.198 55.075 54.840 0.062 0.000 0.824 138 L CB 1.063 43.149 42.059 0.046 0.000 1.221 138 L HN 0.888 nan 8.230 nan 0.000 0.418 139 E N 3.188 123.444 120.200 0.093 0.000 2.278 139 E HA 0.417 4.767 4.350 0.000 0.000 0.272 139 E C -0.816 175.863 176.600 0.133 0.000 0.890 139 E CA -0.672 55.777 56.400 0.082 0.000 0.770 139 E CB 1.224 30.955 29.700 0.051 0.000 1.212 139 E HN 0.650 nan 8.360 nan 0.000 0.415 140 E N 1.474 121.736 120.200 0.104 0.000 2.791 140 E HA -0.281 4.069 4.350 0.000 0.000 0.271 140 E C 0.617 177.352 176.600 0.224 0.000 1.044 140 E CA 0.630 57.110 56.400 0.133 0.000 0.814 140 E CB -1.660 28.110 29.700 0.116 0.000 1.400 140 E HN 1.232 nan 8.360 nan 0.000 0.423 141 G N -1.020 107.852 108.800 0.121 0.000 2.143 141 G HA2 -0.338 3.622 3.960 0.000 0.000 0.249 141 G HA3 -0.338 3.622 3.960 0.000 0.000 0.249 141 G C -0.324 174.514 174.900 -0.104 0.000 0.981 141 G CA 0.524 45.620 45.100 -0.006 0.000 0.665 141 G HN 0.272 nan 8.290 nan 0.000 0.528 142 Y N -1.322 118.989 120.300 0.018 0.000 2.429 142 Y HA 0.579 5.129 4.550 0.001 0.000 0.342 142 Y C 0.344 176.260 175.900 0.026 0.000 1.004 142 Y CA -0.976 57.142 58.100 0.030 0.000 1.075 142 Y CB 2.321 40.801 38.460 0.034 0.000 1.214 142 Y HN 0.232 nan 8.280 nan 0.000 0.455 143 V N 5.448 125.447 119.914 0.141 0.000 2.284 143 V HA 0.330 4.450 4.120 0.000 0.000 0.260 143 V C -0.690 175.478 176.094 0.123 0.000 1.084 143 V CA -0.621 61.738 62.300 0.098 0.000 0.894 143 V CB -0.514 31.338 31.823 0.049 0.000 1.119 143 V HN 0.659 nan 8.190 nan 0.000 0.484 144 K N 5.806 126.277 120.400 0.117 0.000 2.276 144 K HA 0.718 5.038 4.320 0.000 0.000 0.285 144 K C -0.107 176.534 176.600 0.069 0.000 1.062 144 K CA 0.023 56.368 56.287 0.097 0.000 0.918 144 K CB 1.688 34.234 32.500 0.077 0.000 1.055 144 K HN 0.739 nan 8.250 nan 0.000 0.477 145 A N 1.991 124.851 122.820 0.066 0.000 2.374 145 A HA 0.719 5.039 4.320 0.000 0.000 0.317 145 A C -0.661 176.941 177.584 0.030 0.000 1.094 145 A CA -0.620 51.446 52.037 0.048 0.000 0.765 145 A CB 1.299 20.333 19.000 0.058 0.000 1.268 145 A HN 0.710 nan 8.150 nan 0.000 0.438 146 S N -0.338 115.371 115.700 0.015 0.000 2.596 146 S HA 0.784 5.254 4.470 0.000 0.000 0.270 146 S C -1.353 173.243 174.600 -0.007 0.000 1.155 146 S CA -0.444 57.754 58.200 -0.003 0.000 0.827 146 S CB 1.310 64.506 63.200 -0.007 0.000 1.130 146 S HN 2.167 nan 8.310 nan 0.000 0.467 147 V N 1.034 120.938 119.914 -0.017 0.000 2.924 147 V HA 0.539 4.659 4.120 0.000 0.000 0.300 147 V C -1.979 174.101 176.094 -0.023 0.000 1.227 147 V CA -0.730 61.559 62.300 -0.018 0.000 0.954 147 V CB 2.106 33.919 31.823 -0.018 0.000 1.055 147 V HN 1.018 nan 8.190 nan 0.000 0.429 148 N N 4.837 123.525 118.700 -0.020 0.000 2.402 148 N HA 0.652 5.392 4.740 0.000 0.000 0.252 148 N C 0.420 175.916 175.510 -0.023 0.000 1.118 148 N CA 1.234 54.272 53.050 -0.020 0.000 0.945 148 N CB 1.239 39.717 38.487 -0.016 0.000 1.147 148 N HN 1.404 nan 8.380 nan 0.000 0.495 149 G N 1.586 110.369 108.800 -0.027 0.000 2.584 149 G HA2 -0.260 3.700 3.960 0.000 0.000 0.229 149 G HA3 -0.260 3.700 3.960 0.000 0.000 0.229 149 G C -0.518 174.360 174.900 -0.036 0.000 1.320 149 G CA -0.746 44.336 45.100 -0.031 0.000 0.891 149 G HN 0.554 nan 8.290 nan 0.000 0.573 150 R N -0.651 119.827 120.500 -0.037 0.000 2.560 150 R HA 0.572 4.912 4.340 0.000 0.000 0.270 150 R C 0.708 176.989 176.300 -0.033 0.000 1.074 150 R CA -0.635 55.441 56.100 -0.040 0.000 1.140 150 R CB 0.453 30.727 30.300 -0.043 0.000 1.073 150 R HN 0.459 nan 8.270 nan 0.000 0.527 151 L N 1.586 122.790 121.223 -0.031 0.000 2.464 151 L HA 0.189 4.529 4.340 0.000 0.000 0.264 151 L C 0.243 177.096 176.870 -0.029 0.000 1.199 151 L CA 0.185 55.009 54.840 -0.028 0.000 0.818 151 L CB 0.272 42.317 42.059 -0.024 0.000 1.102 151 L HN 0.356 nan 8.230 nan 0.000 0.473 152 K N 0.780 121.163 120.400 -0.028 0.000 2.323 152 K HA 0.379 4.700 4.320 0.000 0.000 0.259 152 K C -0.004 176.581 176.600 -0.026 0.000 0.947 152 K CA -0.636 55.635 56.287 -0.027 0.000 0.819 152 K CB 1.693 34.179 32.500 -0.025 0.000 1.109 152 K HN 0.711 nan 8.250 nan 0.000 0.429 153 G N 1.559 110.344 108.800 -0.024 0.000 2.460 153 G HA2 0.296 4.256 3.960 0.000 0.000 0.230 153 G HA3 0.296 4.256 3.960 0.000 0.000 0.230 153 G C -0.503 174.389 174.900 -0.014 0.000 1.248 153 G CA -0.003 45.085 45.100 -0.021 0.000 0.863 153 G HN 0.646 nan 8.290 nan 0.000 0.549 154 A N 1.316 124.134 122.820 -0.003 0.000 2.609 154 A HA 0.665 4.985 4.320 0.000 0.000 0.291 154 A C -0.896 176.736 177.584 0.080 0.000 1.096 154 A CA -0.701 51.348 52.037 0.020 0.000 0.684 154 A CB 1.097 20.090 19.000 -0.013 0.000 1.282 154 A HN 0.966 nan 8.150 nan 0.000 0.412 155 H N 0.938 119.998 119.070 -0.018 0.000 2.640 155 H HA 0.607 5.163 4.556 0.000 0.000 0.297 155 H C -1.012 174.322 175.328 0.010 0.000 1.073 155 H CA -0.464 55.583 56.048 -0.001 0.000 1.305 155 H CB 0.232 29.996 29.762 0.004 0.000 1.404 155 H HN 0.472 nan 8.280 nan 0.000 0.459 156 I N 6.308 126.975 120.570 0.162 0.000 2.362 156 I HA 0.176 4.347 4.170 0.000 0.000 0.289 156 I C -0.520 175.652 176.117 0.090 0.000 0.994 156 I CA -0.982 60.373 61.300 0.090 0.000 1.158 156 I CB 1.807 39.855 38.000 0.079 0.000 1.315 156 I HN 0.284 nan 8.210 nan 0.000 0.451 157 V N 6.555 126.515 119.914 0.076 0.000 2.370 157 V HA 0.359 4.479 4.120 0.000 0.000 0.283 157 V C 0.422 176.556 176.094 0.068 0.000 1.023 157 V CA -0.626 61.689 62.300 0.025 0.000 0.857 157 V CB 1.439 33.226 31.823 -0.060 0.000 0.985 157 V HN 0.615 nan 8.190 nan 0.000 0.443 158 M N 3.010 122.631 119.600 0.035 0.000 2.185 158 M HA 0.269 4.750 4.480 0.000 0.000 0.357 158 M C 0.843 177.099 176.300 -0.074 0.000 1.260 158 M CA -0.021 55.271 55.300 -0.013 0.000 1.124 158 M CB 0.823 33.426 32.600 0.005 0.000 1.600 158 M HN 0.577 nan 8.290 nan 0.000 0.467 159 D N 2.255 122.568 120.400 -0.146 0.000 2.120 159 D HA 0.047 4.687 4.640 0.000 0.000 0.202 159 D C 0.354 176.596 176.300 -0.097 0.000 0.972 159 D CA 1.316 55.234 54.000 -0.136 0.000 0.837 159 D CB 0.575 41.260 40.800 -0.191 0.000 0.989 159 D HN 0.497 nan 8.370 nan 0.000 0.469 160 K N 0.070 120.413 120.400 -0.096 0.000 2.258 160 K HA 0.491 4.811 4.320 0.000 0.000 0.236 160 K C -0.737 175.830 176.600 -0.055 0.000 1.008 160 K CA -0.803 55.439 56.287 -0.075 0.000 0.869 160 K CB 2.959 35.411 32.500 -0.080 0.000 1.171 160 K HN -0.289 nan 8.250 nan 0.000 0.447 161 V N 1.581 121.467 119.914 -0.047 0.000 2.364 161 V HA 0.183 4.304 4.120 0.000 0.000 0.272 161 V C -0.258 175.818 176.094 -0.029 0.000 1.036 161 V CA -0.203 62.080 62.300 -0.028 0.000 0.880 161 V CB 1.062 32.873 31.823 -0.021 0.000 0.991 161 V HN 0.717 nan 8.190 nan 0.000 0.460 162 S N 4.129 119.822 115.700 -0.012 0.000 2.647 162 S HA 0.412 4.883 4.470 0.000 0.000 0.300 162 S C 0.562 175.187 174.600 0.041 0.000 1.129 162 S CA -0.582 57.621 58.200 0.005 0.000 1.029 162 S CB 1.869 65.064 63.200 -0.009 0.000 1.007 162 S HN 0.318 nan 8.310 nan 0.000 0.484 163 V N 5.470 125.436 119.914 0.087 0.000 2.261 163 V HA -0.016 4.104 4.120 0.000 0.000 0.246 163 V C 2.706 178.943 176.094 0.238 0.000 1.047 163 V CA 2.559 64.944 62.300 0.141 0.000 1.015 163 V CB -1.309 30.618 31.823 0.174 0.000 0.642 163 V HN 0.954 nan 8.190 nan 0.000 0.446 164 G N -0.329 108.664 108.800 0.321 0.000 2.459 164 G HA2 -0.253 3.708 3.960 0.000 0.000 0.217 164 G HA3 -0.253 3.708 3.960 0.000 0.000 0.217 164 G C 1.787 176.805 174.900 0.197 0.000 1.183 164 G CA 1.204 46.634 45.100 0.550 0.000 0.776 164 G HN 0.621 nan 8.290 nan 0.000 0.552 165 A N 0.053 122.658 122.820 -0.359 0.000 1.933 165 A HA -0.029 4.291 4.320 0.000 0.000 0.218 165 A C 2.527 180.010 177.584 -0.169 0.000 1.175 165 A CA 2.507 54.167 52.037 -0.629 0.000 0.628 165 A CB -0.982 17.798 19.000 -0.367 0.000 0.814 165 A HN 0.316 nan 8.150 nan 0.000 0.444 166 T N -0.372 114.158 114.554 -0.040 0.000 2.746 166 T HA -0.118 4.232 4.350 0.000 0.000 0.267 166 T C 1.874 176.576 174.700 0.003 0.000 1.039 166 T CA 1.564 63.664 62.100 -0.001 0.000 1.142 166 T CB -0.399 68.480 68.868 0.017 0.000 0.866 166 T HN 0.172 nan 8.240 nan 0.000 0.444 167 V N 1.361 121.293 119.914 0.030 0.000 2.295 167 V HA -0.192 3.928 4.120 0.000 0.000 0.246 167 V C 2.795 178.872 176.094 -0.029 0.000 1.049 167 V CA 2.026 64.286 62.300 -0.066 0.000 1.024 167 V CB -1.154 30.512 31.823 -0.262 0.000 0.648 167 V HN 0.501 nan 8.190 nan 0.000 0.447 168 T N 0.446 115.072 114.554 0.121 0.000 2.652 168 T HA -0.188 4.163 4.350 0.000 0.000 0.267 168 T C 1.798 176.544 174.700 0.077 0.000 1.039 168 T CA 2.142 64.349 62.100 0.179 0.000 1.153 168 T CB -0.326 68.727 68.868 0.307 0.000 0.863 168 T HN 0.340 nan 8.240 nan 0.000 0.428 169 I N 0.732 121.324 120.570 0.036 0.000 2.179 169 I HA -0.197 3.973 4.170 0.000 0.000 0.242 169 I C 2.620 178.743 176.117 0.009 0.000 1.088 169 I CA 1.429 62.742 61.300 0.021 0.000 1.357 169 I CB -0.425 37.584 38.000 0.016 0.000 1.051 169 I HN 0.265 nan 8.210 nan 0.000 0.409 170 M N 0.353 119.951 119.600 -0.002 0.000 2.108 170 M HA -0.223 4.258 4.480 0.000 0.000 0.261 170 M C 2.413 178.702 176.300 -0.020 0.000 1.066 170 M CA 1.893 57.184 55.300 -0.015 0.000 1.107 170 M CB -0.020 32.565 32.600 -0.026 0.000 1.356 170 M HN 0.126 nan 8.290 nan 0.000 0.406 171 S N 0.685 116.375 115.700 -0.017 0.000 2.345 171 S HA -0.055 4.416 4.470 0.000 0.000 0.220 171 S C 2.029 176.633 174.600 0.007 0.000 1.031 171 S CA 1.316 59.511 58.200 -0.008 0.000 0.996 171 S CB -0.533 62.667 63.200 0.000 0.000 0.882 171 S HN 0.698 nan 8.310 nan 0.000 0.445 172 A N 1.494 124.328 122.820 0.023 0.000 1.933 172 A HA 0.100 4.420 4.320 0.000 0.000 0.218 172 A C 2.297 179.880 177.584 -0.001 0.000 1.175 172 A CA 1.671 53.722 52.037 0.023 0.000 0.628 172 A CB -0.984 18.038 19.000 0.037 0.000 0.814 172 A HN 0.516 nan 8.150 nan 0.000 0.444 173 A N -0.100 122.715 122.820 -0.008 0.000 2.019 173 A HA -0.078 4.242 4.320 0.000 0.000 0.219 173 A C 2.340 179.908 177.584 -0.028 0.000 1.164 173 A CA 2.270 54.297 52.037 -0.018 0.000 0.644 173 A CB -1.374 17.616 19.000 -0.016 0.000 0.805 173 A HN 0.809 nan 8.150 nan 0.000 0.449 174 T N -1.881 112.653 114.554 -0.033 0.000 2.849 174 T HA -0.047 4.303 4.350 0.000 0.000 0.270 174 T C 1.294 175.964 174.700 -0.049 0.000 1.066 174 T CA 1.469 63.541 62.100 -0.046 0.000 1.130 174 T CB -0.365 68.467 68.868 -0.060 0.000 0.864 174 T HN 0.326 nan 8.240 nan 0.000 0.481 175 L N 0.641 121.837 121.223 -0.045 0.000 2.818 175 L HA 0.543 4.883 4.340 0.000 0.000 0.243 175 L C 1.250 178.092 176.870 -0.047 0.000 1.185 175 L CA -0.601 54.207 54.840 -0.053 0.000 0.988 175 L CB -0.299 41.721 42.059 -0.064 0.000 1.292 175 L HN 0.305 nan 8.230 nan 0.000 0.519 176 A N 0.248 123.045 122.820 -0.038 0.000 2.287 176 A HA 0.257 4.577 4.320 0.000 0.000 0.273 176 A C 0.083 177.646 177.584 -0.035 0.000 1.091 176 A CA -0.264 51.753 52.037 -0.034 0.000 0.817 176 A CB 0.456 19.439 19.000 -0.029 0.000 1.069 176 A HN 0.256 nan 8.150 nan 0.000 0.492 177 E N 0.021 120.202 120.200 -0.032 0.000 2.044 177 E HA 0.466 4.816 4.350 0.000 0.000 0.282 177 E C 0.469 177.053 176.600 -0.028 0.000 1.031 177 E CA 0.752 57.134 56.400 -0.030 0.000 0.824 177 E CB 0.174 29.857 29.700 -0.028 0.000 1.076 177 E HN 1.321 nan 8.360 nan 0.000 0.395 178 G N 2.648 111.431 108.800 -0.028 0.000 2.409 178 G HA2 -0.171 3.790 3.960 0.000 0.000 0.421 178 G HA3 -0.171 3.790 3.960 0.000 0.000 0.421 178 G C -0.570 174.312 174.900 -0.030 0.000 1.259 178 G CA -0.622 44.462 45.100 -0.028 0.000 1.011 178 G HN 0.448 nan 8.290 nan 0.000 0.497 179 T N 1.086 115.621 114.554 -0.032 0.000 2.824 179 T HA 0.710 5.060 4.350 0.000 0.000 0.280 179 T C -0.011 174.669 174.700 -0.035 0.000 0.995 179 T CA 0.220 62.297 62.100 -0.037 0.000 1.009 179 T CB 1.543 70.383 68.868 -0.046 0.000 0.955 179 T HN 0.739 nan 8.240 nan 0.000 0.452 180 T N 3.420 117.956 114.554 -0.030 0.000 2.856 180 T HA 0.666 5.016 4.350 0.000 0.000 0.283 180 T C -0.418 174.272 174.700 -0.016 0.000 1.008 180 T CA -0.526 61.565 62.100 -0.015 0.000 0.997 180 T CB 0.734 69.597 68.868 -0.008 0.000 0.992 180 T HN 0.410 nan 8.240 nan 0.000 0.454 181 I N 3.163 123.740 120.570 0.012 0.000 2.478 181 I HA 0.427 4.597 4.170 0.000 0.000 0.287 181 I C -0.732 175.466 176.117 0.135 0.000 1.042 181 I CA -0.750 60.564 61.300 0.024 0.000 1.067 181 I CB 1.786 39.713 38.000 -0.122 0.000 1.233 181 I HN 0.463 nan 8.210 nan 0.000 0.431 182 I N 5.887 126.512 120.570 0.091 0.000 2.307 182 I HA 0.262 4.432 4.170 0.000 0.000 0.289 182 I C 0.099 176.274 176.117 0.098 0.000 1.021 182 I CA -0.586 60.772 61.300 0.095 0.000 1.224 182 I CB 0.860 38.893 38.000 0.055 0.000 1.376 182 I HN 0.433 nan 8.210 nan 0.000 0.470 183 E N 4.963 125.230 120.200 0.112 0.000 2.266 183 E HA 0.115 4.465 4.350 0.000 0.000 0.277 183 E C 0.166 176.793 176.600 0.044 0.000 1.018 183 E CA -0.354 56.096 56.400 0.083 0.000 0.840 183 E CB 1.053 30.789 29.700 0.059 0.000 1.082 183 E HN 0.555 nan 8.360 nan 0.000 0.395 184 N N 0.591 119.310 118.700 0.032 0.000 2.740 184 N HA -0.226 4.514 4.740 0.000 0.000 0.248 184 N C -1.142 174.378 175.510 0.018 0.000 1.062 184 N CA 0.797 53.856 53.050 0.016 0.000 0.704 184 N CB -0.832 37.655 38.487 -0.000 0.000 0.968 184 N HN 0.567 nan 8.380 nan 0.000 0.547 185 A N -0.077 122.758 122.820 0.026 0.000 2.366 185 A HA 0.702 5.022 4.320 0.000 0.000 0.249 185 A C 0.907 178.506 177.584 0.025 0.000 1.084 185 A CA 0.132 52.184 52.037 0.025 0.000 0.794 185 A CB 0.360 19.376 19.000 0.028 0.000 1.034 185 A HN 0.870 nan 8.150 nan 0.000 0.491 186 A N 0.798 123.634 122.820 0.026 0.000 2.425 186 A HA 0.481 4.801 4.320 0.000 0.000 0.249 186 A C 0.709 178.319 177.584 0.044 0.000 1.084 186 A CA -0.253 51.806 52.037 0.036 0.000 0.781 186 A CB 0.017 19.042 19.000 0.041 0.000 1.019 186 A HN 0.769 nan 8.150 nan 0.000 0.490 187 R N 0.606 121.148 120.500 0.070 0.000 2.427 187 R HA 0.176 4.516 4.340 0.000 0.000 0.262 187 R C -0.432 175.931 176.300 0.105 0.000 0.943 187 R CA -0.127 56.030 56.100 0.094 0.000 1.081 187 R CB 0.092 30.464 30.300 0.120 0.000 1.166 187 R HN 0.753 nan 8.270 nan 0.000 0.534 188 E N 1.103 121.324 120.200 0.036 0.000 2.481 188 E HA -0.048 4.302 4.350 0.000 0.000 0.263 188 E C -1.591 174.903 176.600 -0.176 0.000 0.992 188 E CA -1.176 55.144 56.400 -0.132 0.000 0.938 188 E CB 0.419 30.080 29.700 -0.065 0.000 0.933 188 E HN -0.074 nan 8.360 nan 0.000 0.453 189 P HA -0.165 nan 4.420 nan 0.000 0.217 189 P C 0.328 177.572 177.300 -0.092 0.000 1.148 189 P CA 1.180 64.168 63.100 -0.186 0.000 0.828 189 P CB 0.308 31.869 31.700 -0.231 0.000 0.783 190 E N -0.971 119.174 120.200 -0.092 0.000 2.150 190 E HA -0.129 4.221 4.350 0.000 0.000 0.193 190 E C 1.955 178.522 176.600 -0.055 0.000 0.985 190 E CA 0.812 57.179 56.400 -0.055 0.000 0.814 190 E CB -0.862 28.817 29.700 -0.036 0.000 0.752 190 E HN 0.187 nan 8.360 nan 0.000 0.466 191 I N 0.270 120.811 120.570 -0.048 0.000 2.179 191 I HA -0.213 3.957 4.170 0.000 0.000 0.242 191 I C 2.150 178.247 176.117 -0.034 0.000 1.088 191 I CA 0.974 62.249 61.300 -0.042 0.000 1.357 191 I CB -1.043 36.947 38.000 -0.016 0.000 1.051 191 I HN 0.021 nan 8.210 nan 0.000 0.409 192 V N 1.049 120.951 119.914 -0.020 0.000 2.332 192 V HA -0.306 3.814 4.120 0.000 0.000 0.248 192 V C 2.282 178.383 176.094 0.012 0.000 1.055 192 V CA 2.222 64.521 62.300 -0.000 0.000 1.038 192 V CB -0.725 31.105 31.823 0.011 0.000 0.651 192 V HN 0.321 nan 8.190 nan 0.000 0.450 193 D N -0.316 120.095 120.400 0.019 0.000 2.117 193 D HA -0.137 4.503 4.640 0.000 0.000 0.197 193 D C 2.274 178.546 176.300 -0.046 0.000 0.987 193 D CA 1.725 55.767 54.000 0.070 0.000 0.829 193 D CB -0.129 40.724 40.800 0.088 0.000 0.961 193 D HN 0.402 nan 8.370 nan 0.000 0.460 194 T N -0.337 114.172 114.554 -0.075 0.000 2.821 194 T HA -0.093 4.258 4.350 0.000 0.000 0.267 194 T C 1.912 176.570 174.700 -0.069 0.000 1.046 194 T CA 1.274 63.316 62.100 -0.096 0.000 1.139 194 T CB -0.387 68.399 68.868 -0.137 0.000 0.871 194 T HN 0.205 nan 8.240 nan 0.000 0.454 195 A N 2.662 125.442 122.820 -0.067 0.000 1.877 195 A HA -0.164 4.157 4.320 0.000 0.000 0.216 195 A C 2.237 179.767 177.584 -0.090 0.000 1.186 195 A CA 1.546 53.545 52.037 -0.064 0.000 0.620 195 A CB -0.660 18.317 19.000 -0.038 0.000 0.822 195 A HN 0.387 nan 8.150 nan 0.000 0.443 196 N N -1.001 117.653 118.700 -0.077 0.000 2.289 196 N HA -0.126 4.614 4.740 0.000 0.000 0.184 196 N C 1.351 176.702 175.510 -0.265 0.000 1.016 196 N CA 1.391 54.402 53.050 -0.066 0.000 0.872 196 N CB -0.586 37.971 38.487 0.117 0.000 0.973 196 N HN 0.565 nan 8.380 nan 0.000 0.433 197 F N 1.746 121.256 119.950 -0.733 0.000 2.113 197 F HA -0.008 4.519 4.527 0.000 0.000 0.297 197 F C 1.999 177.577 175.800 -0.369 0.000 1.103 197 F CA 0.965 58.425 58.000 -0.901 0.000 1.248 197 F CB -0.550 37.938 39.000 -0.854 0.000 0.999 197 F HN -0.101 nan 8.300 nan 0.000 0.475 198 L N -0.374 120.587 121.223 -0.436 0.000 2.042 198 L HA -0.241 4.100 4.340 0.000 0.000 0.210 198 L C 2.419 179.096 176.870 -0.323 0.000 1.076 198 L CA 1.194 55.784 54.840 -0.417 0.000 0.749 198 L CB -0.966 40.978 42.059 -0.192 0.000 0.893 198 L HN 0.031 nan 8.230 nan 0.000 0.432 199 V N 0.051 119.834 119.914 -0.218 0.000 2.490 199 V HA -0.291 3.830 4.120 0.000 0.000 0.250 199 V C 2.691 178.698 176.094 -0.144 0.000 1.061 199 V CA 1.737 63.952 62.300 -0.141 0.000 1.064 199 V CB -0.825 30.951 31.823 -0.078 0.000 0.670 199 V HN 0.499 nan 8.190 nan 0.000 0.461 200 A N -0.500 122.209 122.820 -0.185 0.000 2.015 200 A HA -0.053 4.267 4.320 0.000 0.000 0.219 200 A C 2.059 179.534 177.584 -0.182 0.000 1.163 200 A CA 1.262 53.225 52.037 -0.123 0.000 0.646 200 A CB -0.391 18.588 19.000 -0.035 0.000 0.806 200 A HN 0.533 nan 8.150 nan 0.000 0.448 201 L N -1.628 119.402 121.223 -0.322 0.000 2.599 201 L HA 0.176 4.516 4.340 0.000 0.000 0.230 201 L C 1.671 178.439 176.870 -0.170 0.000 1.141 201 L CA 0.645 55.319 54.840 -0.277 0.000 0.877 201 L CB -0.066 41.748 42.059 -0.409 0.000 1.009 201 L HN 0.593 nan 8.230 nan 0.000 0.447 202 G N -0.676 108.036 108.800 -0.146 0.000 2.229 202 G HA2 -0.180 3.780 3.960 0.000 0.000 0.189 202 G HA3 -0.180 3.780 3.960 0.000 0.000 0.189 202 G C 0.406 175.249 174.900 -0.095 0.000 1.000 202 G CA -0.171 44.869 45.100 -0.099 0.000 0.663 202 G HN 0.408 nan 8.290 nan 0.000 0.493 203 A N 0.182 122.930 122.820 -0.120 0.000 2.406 203 A HA 0.622 4.942 4.320 0.000 0.000 0.243 203 A C 0.445 177.982 177.584 -0.078 0.000 1.082 203 A CA 0.551 52.528 52.037 -0.100 0.000 0.786 203 A CB 0.294 19.223 19.000 -0.118 0.000 1.029 203 A HN 0.379 nan 8.150 nan 0.000 0.495 204 K N 1.198 121.561 120.400 -0.062 0.000 2.464 204 K HA 0.577 4.897 4.320 0.000 0.000 0.252 204 K C -1.381 175.193 176.600 -0.045 0.000 1.000 204 K CA 0.291 56.549 56.287 -0.049 0.000 0.951 204 K CB 0.977 33.452 32.500 -0.042 0.000 1.183 204 K HN 0.588 nan 8.250 nan 0.000 0.445 205 I N 1.288 121.832 120.570 -0.043 0.000 2.730 205 I HA 0.354 4.525 4.170 0.000 0.000 0.298 205 I C -0.364 175.737 176.117 -0.026 0.000 1.089 205 I CA -0.784 60.495 61.300 -0.036 0.000 1.041 205 I CB 2.363 40.338 38.000 -0.042 0.000 1.235 205 I HN 0.556 nan 8.210 nan 0.000 0.423 206 S N 1.943 117.630 115.700 -0.021 0.000 2.579 206 S HA 0.812 5.282 4.470 0.000 0.000 0.272 206 S C 0.133 174.728 174.600 -0.009 0.000 1.141 206 S CA 0.007 58.198 58.200 -0.014 0.000 0.843 206 S CB 1.997 65.188 63.200 -0.015 0.000 1.122 206 S HN 1.398 nan 8.310 nan 0.000 0.468 207 G N 0.785 109.583 108.800 -0.003 0.000 2.213 207 G HA2 -0.246 3.714 3.960 0.000 0.000 0.236 207 G HA3 -0.246 3.714 3.960 0.000 0.000 0.236 207 G C 0.151 175.055 174.900 0.007 0.000 0.991 207 G CA 0.106 45.207 45.100 0.002 0.000 0.629 207 G HN 1.355 nan 8.290 nan 0.000 0.517 208 Q N 0.548 120.351 119.800 0.004 0.000 2.283 208 Q HA 0.361 4.701 4.340 0.000 0.000 0.301 208 Q C 1.174 177.184 176.000 0.016 0.000 1.063 208 Q CA 1.267 57.073 55.803 0.006 0.000 0.952 208 Q CB 0.766 29.503 28.738 -0.001 0.000 1.166 208 Q HN 1.911 nan 8.270 nan 0.000 0.381 209 G N 2.216 111.031 108.800 0.024 0.000 2.213 209 G HA2 -0.281 3.680 3.960 0.000 0.000 0.226 209 G HA3 -0.281 3.680 3.960 0.000 0.000 0.226 209 G C 0.242 175.168 174.900 0.043 0.000 0.992 209 G CA 0.312 45.436 45.100 0.041 0.000 0.632 209 G HN 1.162 nan 8.290 nan 0.000 0.511 210 T N -1.727 112.845 114.554 0.030 0.000 2.919 210 T HA 0.565 4.916 4.350 0.000 0.000 0.282 210 T C 0.915 175.631 174.700 0.026 0.000 1.020 210 T CA 0.621 62.736 62.100 0.026 0.000 0.994 210 T CB 1.637 70.516 68.868 0.018 0.000 1.180 210 T HN 0.215 nan 8.240 nan 0.000 0.566 211 D N -1.000 119.414 120.400 0.023 0.000 2.363 211 D HA 0.036 4.676 4.640 0.000 0.000 0.226 211 D C 0.730 177.048 176.300 0.030 0.000 1.020 211 D CA 0.092 54.107 54.000 0.024 0.000 0.892 211 D CB -0.056 40.755 40.800 0.019 0.000 0.900 211 D HN 0.586 nan 8.370 nan 0.000 0.531 212 R N 0.690 121.207 120.500 0.029 0.000 2.473 212 R HA 0.465 4.806 4.340 0.000 0.000 0.303 212 R C -1.651 174.662 176.300 0.022 0.000 1.002 212 R CA -0.560 55.560 56.100 0.035 0.000 0.884 212 R CB 0.594 30.916 30.300 0.036 0.000 1.173 212 R HN 0.025 nan 8.270 nan 0.000 0.464 213 I N 3.740 124.325 120.570 0.023 0.000 2.354 213 I HA 0.331 4.501 4.170 0.000 0.000 0.292 213 I C -0.343 175.775 176.117 0.002 0.000 0.989 213 I CA -0.805 60.500 61.300 0.010 0.000 1.188 213 I CB 2.376 40.381 38.000 0.008 0.000 1.342 213 I HN 0.615 nan 8.210 nan 0.000 0.457 214 T N 7.142 121.689 114.554 -0.011 0.000 2.770 214 T HA 0.632 4.982 4.350 0.000 0.000 0.283 214 T C -0.376 174.308 174.700 -0.025 0.000 0.988 214 T CA -0.308 61.778 62.100 -0.023 0.000 0.957 214 T CB 0.985 69.833 68.868 -0.033 0.000 0.930 214 T HN 0.171 nan 8.240 nan 0.000 0.443 215 I N 2.499 123.053 120.570 -0.027 0.000 2.436 215 I HA 0.365 4.535 4.170 0.000 0.000 0.289 215 I C 0.165 176.262 176.117 -0.034 0.000 1.010 215 I CA -0.575 60.707 61.300 -0.030 0.000 1.098 215 I CB 1.958 39.942 38.000 -0.028 0.000 1.266 215 I HN 0.542 nan 8.210 nan 0.000 0.434 216 E N 4.751 124.929 120.200 -0.036 0.000 2.102 216 E HA 0.507 4.857 4.350 0.000 0.000 0.263 216 E C 0.140 176.717 176.600 -0.038 0.000 0.894 216 E CA -0.628 55.750 56.400 -0.036 0.000 0.746 216 E CB 1.123 30.802 29.700 -0.035 0.000 1.129 216 E HN 0.851 nan 8.360 nan 0.000 0.416 217 G N 2.330 111.107 108.800 -0.037 0.000 2.562 217 G HA2 0.246 4.206 3.960 0.000 0.000 0.233 217 G HA3 0.246 4.206 3.960 0.000 0.000 0.233 217 G C 0.087 174.962 174.900 -0.042 0.000 1.266 217 G CA 0.188 45.264 45.100 -0.040 0.000 0.852 217 G HN 0.443 nan 8.290 nan 0.000 0.581 218 V N -1.249 118.637 119.914 -0.047 0.000 3.141 218 V HA 0.556 4.676 4.120 0.000 0.000 0.312 218 V C 0.837 176.900 176.094 -0.050 0.000 1.157 218 V CA -0.763 61.509 62.300 -0.047 0.000 1.041 218 V CB 1.883 33.676 31.823 -0.051 0.000 1.071 218 V HN 0.778 nan 8.190 nan 0.000 0.441 219 E N 1.062 121.233 120.200 -0.048 0.000 2.077 219 E HA -0.038 4.313 4.350 0.000 0.000 0.193 219 E C 0.427 176.989 176.600 -0.063 0.000 0.989 219 E CA 1.763 58.133 56.400 -0.051 0.000 0.800 219 E CB 0.123 29.797 29.700 -0.043 0.000 0.746 219 E HN 0.767 nan 8.360 nan 0.000 0.452 220 R N -0.868 119.596 120.500 -0.061 0.000 2.716 220 R HA 0.535 4.875 4.340 0.000 0.000 0.271 220 R C -1.383 174.876 176.300 -0.068 0.000 1.028 220 R CA -0.754 55.305 56.100 -0.069 0.000 0.883 220 R CB 0.933 31.195 30.300 -0.062 0.000 1.250 220 R HN -0.153 nan 8.270 nan 0.000 0.465 221 L N 1.043 122.222 121.223 -0.073 0.000 2.334 221 L HA 0.596 4.936 4.340 0.000 0.000 0.276 221 L C 0.661 177.491 176.870 -0.066 0.000 1.014 221 L CA -0.661 54.129 54.840 -0.083 0.000 0.815 221 L CB 2.038 44.033 42.059 -0.106 0.000 1.268 221 L HN 1.003 nan 8.230 nan 0.000 0.428 222 G N 1.261 110.020 108.800 -0.069 0.000 3.311 222 G HA2 0.597 4.558 3.960 0.000 0.000 0.169 222 G HA3 0.597 4.558 3.960 0.000 0.000 0.169 222 G C 0.066 174.945 174.900 -0.035 0.000 1.852 222 G CA 0.437 45.513 45.100 -0.042 0.000 1.010 222 G HN 0.761 nan 8.290 nan 0.000 0.530 223 G N -3.155 105.630 108.800 -0.024 0.000 2.911 223 G HA2 0.708 4.668 3.960 0.000 0.000 0.299 223 G HA3 0.708 4.668 3.960 0.000 0.000 0.299 223 G C -0.362 174.542 174.900 0.006 0.000 1.283 223 G CA 0.159 45.262 45.100 0.004 0.000 0.805 223 G HN 1.834 nan 8.290 nan 0.000 0.548 224 G N -2.606 106.229 108.800 0.058 0.000 2.352 224 G HA2 0.506 4.466 3.960 0.000 0.000 0.283 224 G HA3 0.506 4.466 3.960 0.000 0.000 0.283 224 G C -2.014 172.962 174.900 0.126 0.000 1.308 224 G CA 0.201 45.347 45.100 0.076 0.000 0.892 224 G HN 1.446 nan 8.290 nan 0.000 0.504 225 V N 0.489 120.484 119.914 0.135 0.000 2.577 225 V HA 0.709 4.829 4.120 0.000 0.000 0.303 225 V C -1.318 174.896 176.094 0.201 0.000 1.042 225 V CA -0.572 61.806 62.300 0.131 0.000 0.872 225 V CB 1.529 33.396 31.823 0.072 0.000 0.998 225 V HN 0.936 nan 8.190 nan 0.000 0.423 226 Y N 4.241 124.583 120.300 0.070 0.000 2.457 226 Y HA 0.604 5.154 4.550 0.000 0.000 0.343 226 Y C -0.184 175.701 175.900 -0.025 0.000 0.994 226 Y CA -0.839 57.307 58.100 0.078 0.000 1.031 226 Y CB 1.722 40.341 38.460 0.265 0.000 1.246 226 Y HN 0.617 nan 8.280 nan 0.000 0.449 227 R N 5.421 125.582 120.500 -0.565 0.000 2.255 227 R HA 0.568 4.909 4.340 0.000 0.000 0.326 227 R C -1.358 174.720 176.300 -0.370 0.000 0.986 227 R CA -0.528 55.354 56.100 -0.364 0.000 0.847 227 R CB 0.798 30.925 30.300 -0.289 0.000 1.111 227 R HN 0.622 nan 8.270 nan 0.000 0.452 228 V N 6.386 126.222 119.914 -0.131 0.000 2.763 228 V HA -0.016 4.104 4.120 0.000 0.000 0.306 228 V C 1.031 177.090 176.094 -0.059 0.000 1.059 228 V CA -0.074 62.207 62.300 -0.031 0.000 1.138 228 V CB 0.540 32.340 31.823 -0.040 0.000 0.940 228 V HN 0.688 nan 8.190 nan 0.000 0.489 229 L N 4.722 125.936 121.223 -0.015 0.000 2.472 229 L HA 0.541 4.882 4.340 0.000 0.000 0.260 229 L C -2.392 174.463 176.870 -0.024 0.000 1.209 229 L CA -1.656 53.169 54.840 -0.026 0.000 0.817 229 L CB -0.037 42.019 42.059 -0.004 0.000 1.106 229 L HN 0.348 nan 8.230 nan 0.000 0.479 230 P HA -0.012 nan 4.420 nan 0.000 0.269 230 P C -1.145 176.150 177.300 -0.008 0.000 1.209 230 P CA 0.038 63.134 63.100 -0.007 0.000 0.776 230 P CB 0.341 32.042 31.700 0.003 0.000 0.876 231 D N 2.866 123.264 120.400 -0.003 0.000 2.359 231 D HA -0.007 4.633 4.640 0.000 0.000 0.250 231 D C 1.322 177.622 176.300 0.000 0.000 1.264 231 D CA -0.078 53.913 54.000 -0.015 0.000 0.911 231 D CB 0.521 41.303 40.800 -0.030 0.000 1.056 231 D HN 0.343 nan 8.370 nan 0.000 0.499 232 R N 3.724 124.216 120.500 -0.013 0.000 2.148 232 R HA -0.113 4.227 4.340 0.000 0.000 0.227 232 R C 1.389 177.693 176.300 0.005 0.000 1.103 232 R CA 0.561 56.660 56.100 -0.002 0.000 0.983 232 R CB -0.106 30.179 30.300 -0.024 0.000 0.874 232 R HN 0.340 nan 8.270 nan 0.000 0.451 233 I N 1.727 122.284 120.570 -0.021 0.000 2.353 233 I HA -0.118 4.052 4.170 0.000 0.000 0.248 233 I C 2.492 178.616 176.117 0.012 0.000 1.119 233 I CA 1.152 62.440 61.300 -0.019 0.000 1.417 233 I CB -1.152 36.812 38.000 -0.060 0.000 1.078 233 I HN 0.357 nan 8.210 nan 0.000 0.421 234 E N 0.972 121.167 120.200 -0.009 0.000 2.077 234 E HA -0.191 4.159 4.350 0.000 0.000 0.193 234 E C 2.039 178.783 176.600 0.241 0.000 0.989 234 E CA 1.972 58.432 56.400 0.099 0.000 0.800 234 E CB 0.181 29.954 29.700 0.122 0.000 0.746 234 E HN 0.384 nan 8.360 nan 0.000 0.452 235 T N -0.153 114.518 114.554 0.195 0.000 2.652 235 T HA -0.156 4.194 4.350 0.000 0.000 0.267 235 T C 1.758 176.573 174.700 0.191 0.000 1.039 235 T CA 1.354 63.583 62.100 0.215 0.000 1.153 235 T CB -0.732 68.213 68.868 0.129 0.000 0.863 235 T HN 0.409 nan 8.240 nan 0.000 0.428 236 G N 0.897 109.775 108.800 0.130 0.000 2.422 236 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 236 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 236 G C 1.709 176.680 174.900 0.118 0.000 1.146 236 G CA 1.455 46.636 45.100 0.135 0.000 0.769 236 G HN 0.463 nan 8.290 nan 0.000 0.547 237 T N 0.828 115.426 114.554 0.075 0.000 2.708 237 T HA -0.069 4.281 4.350 0.000 0.000 0.266 237 T C 2.039 176.655 174.700 -0.141 0.000 1.037 237 T CA 1.035 63.106 62.100 -0.048 0.000 1.146 237 T CB -0.336 68.493 68.868 -0.064 0.000 0.865 237 T HN 0.294 nan 8.240 nan 0.000 0.435 238 F N 0.770 120.776 119.950 0.092 0.000 2.259 238 F HA 0.125 4.653 4.527 0.000 0.000 0.298 238 F C 2.096 177.918 175.800 0.036 0.000 1.088 238 F CA 0.523 58.557 58.000 0.057 0.000 1.358 238 F CB -0.407 38.633 39.000 0.067 0.000 1.040 238 F HN 0.062 nan 8.300 nan 0.000 0.505 239 L N -0.852 120.493 121.223 0.204 0.000 2.093 239 L HA -0.193 4.147 4.340 0.000 0.000 0.208 239 L C 2.303 179.203 176.870 0.050 0.000 1.085 239 L CA 0.649 55.566 54.840 0.129 0.000 0.755 239 L CB -0.676 41.461 42.059 0.130 0.000 0.904 239 L HN -0.028 nan 8.230 nan 0.000 0.435 240 V N -0.072 119.842 119.914 -0.000 0.000 2.515 240 V HA -0.241 3.879 4.120 0.000 0.000 0.250 240 V C 2.724 178.772 176.094 -0.077 0.000 1.058 240 V CA 1.536 63.768 62.300 -0.114 0.000 1.064 240 V CB -0.626 31.081 31.823 -0.194 0.000 0.675 240 V HN 0.463 nan 8.190 nan 0.000 0.461 241 A N 0.189 122.992 122.820 -0.029 0.000 1.892 241 A HA -0.212 4.108 4.320 0.000 0.000 0.218 241 A C 2.424 180.015 177.584 0.011 0.000 1.188 241 A CA 2.407 54.441 52.037 -0.007 0.000 0.631 241 A CB -0.797 18.241 19.000 0.063 0.000 0.822 241 A HN 0.574 nan 8.150 nan 0.000 0.447 242 A N -0.368 122.473 122.820 0.034 0.000 1.873 242 A HA 0.225 4.545 4.320 0.000 0.000 0.215 242 A C 2.530 180.107 177.584 -0.012 0.000 1.186 242 A CA 2.002 54.050 52.037 0.018 0.000 0.616 242 A CB -1.130 17.887 19.000 0.029 0.000 0.823 242 A HN 1.166 nan 8.150 nan 0.000 0.442 243 A N 0.526 123.332 122.820 -0.024 0.000 1.986 243 A HA -0.127 4.194 4.320 0.000 0.000 0.220 243 A C 2.018 179.571 177.584 -0.050 0.000 1.171 243 A CA 1.651 53.663 52.037 -0.042 0.000 0.640 243 A CB -0.833 18.126 19.000 -0.068 0.000 0.811 243 A HN 1.041 nan 8.150 nan 0.000 0.451 244 I N -3.021 117.513 120.570 -0.059 0.000 3.728 244 I HA 0.121 4.292 4.170 0.000 0.000 0.307 244 I C 1.336 177.434 176.117 -0.031 0.000 1.276 244 I CA 1.091 62.359 61.300 -0.053 0.000 1.285 244 I CB 0.248 38.206 38.000 -0.070 0.000 1.038 244 I HN 0.230 nan 8.210 nan 0.000 0.445 245 S N -0.109 115.578 115.700 -0.023 0.000 2.663 245 S HA 0.448 4.918 4.470 0.000 0.000 0.243 245 S C 1.487 176.082 174.600 -0.008 0.000 1.009 245 S CA 0.145 58.337 58.200 -0.013 0.000 0.988 245 S CB 0.235 63.430 63.200 -0.009 0.000 0.896 245 S HN 0.717 nan 8.310 nan 0.000 0.502 246 G N 0.593 109.387 108.800 -0.010 0.000 2.180 246 G HA2 -0.189 3.771 3.960 0.000 0.000 0.263 246 G HA3 -0.189 3.771 3.960 0.000 0.000 0.263 246 G C 0.590 175.482 174.900 -0.013 0.000 0.989 246 G CA 0.169 45.266 45.100 -0.005 0.000 0.692 246 G HN 1.105 nan 8.290 nan 0.000 0.526 247 G N -0.890 107.900 108.800 -0.016 0.000 2.525 247 G HA2 0.595 4.555 3.960 0.000 0.000 0.287 247 G HA3 0.595 4.555 3.960 0.000 0.000 0.287 247 G C -0.152 174.724 174.900 -0.041 0.000 1.350 247 G CA 0.085 45.173 45.100 -0.020 0.000 1.039 247 G HN 0.660 nan 8.290 nan 0.000 0.513 248 K N -0.926 119.453 120.400 -0.036 0.000 2.482 248 K HA 0.615 4.935 4.320 0.000 0.000 0.251 248 K C -1.677 174.912 176.600 -0.017 0.000 0.936 248 K CA -0.705 55.554 56.287 -0.047 0.000 0.791 248 K CB 2.004 34.462 32.500 -0.069 0.000 1.213 248 K HN 0.441 nan 8.250 nan 0.000 0.428 249 I N 3.092 123.663 120.570 0.002 0.000 2.994 249 I HA 0.490 4.660 4.170 0.000 0.000 0.306 249 I C -1.705 174.432 176.117 0.034 0.000 1.195 249 I CA -1.032 60.276 61.300 0.014 0.000 1.001 249 I CB 2.383 40.407 38.000 0.040 0.000 1.244 249 I HN 0.406 nan 8.210 nan 0.000 0.437 250 V N 5.077 125.002 119.914 0.018 0.000 2.483 250 V HA 0.342 4.462 4.120 0.000 0.000 0.297 250 V C -0.743 175.380 176.094 0.048 0.000 1.027 250 V CA -0.578 61.752 62.300 0.050 0.000 0.855 250 V CB 1.409 33.214 31.823 -0.031 0.000 0.995 250 V HN 0.779 nan 8.190 nan 0.000 0.424 251 C N 6.179 125.549 119.300 0.116 0.000 2.285 251 C HA 0.614 5.075 4.460 0.000 0.000 0.335 251 C C 0.570 175.639 174.990 0.132 0.000 1.267 251 C CA -1.049 58.022 59.018 0.088 0.000 1.762 251 C CB -0.021 27.789 27.740 0.116 0.000 2.365 251 C HN 0.737 nan 8.230 nan 0.000 0.527 252 R N 2.400 122.942 120.500 0.071 0.000 2.573 252 R HA 0.281 4.621 4.340 0.000 0.000 0.272 252 R C 0.289 176.633 176.300 0.073 0.000 1.009 252 R CA -0.391 55.764 56.100 0.092 0.000 1.059 252 R CB 0.262 30.581 30.300 0.031 0.000 1.112 252 R HN 0.780 nan 8.270 nan 0.000 0.517 253 N N -1.308 117.441 118.700 0.082 0.000 2.754 253 N HA -0.189 4.551 4.740 0.000 0.000 0.248 253 N C -1.110 174.427 175.510 0.046 0.000 1.093 253 N CA 1.172 54.251 53.050 0.050 0.000 0.699 253 N CB -0.944 37.557 38.487 0.025 0.000 1.016 253 N HN 0.745 nan 8.380 nan 0.000 0.552 254 A N -0.202 122.656 122.820 0.063 0.000 2.269 254 A HA 0.721 5.041 4.320 0.000 0.000 0.327 254 A C 0.176 177.765 177.584 0.008 0.000 1.112 254 A CA -0.396 51.668 52.037 0.044 0.000 0.865 254 A CB 1.168 20.207 19.000 0.066 0.000 1.227 254 A HN 0.212 nan 8.150 nan 0.000 0.498 255 Q N 0.592 120.390 119.800 -0.004 0.000 2.771 255 Q HA 0.307 4.647 4.340 0.000 0.000 0.247 255 Q C -2.273 173.711 176.000 -0.026 0.000 0.986 255 Q CA -1.775 54.014 55.803 -0.023 0.000 0.713 255 Q CB 1.259 29.988 28.738 -0.016 0.000 1.241 255 Q HN 0.438 nan 8.270 nan 0.000 0.488 256 P HA -0.243 nan 4.420 nan 0.000 0.218 256 P C 0.636 177.920 177.300 -0.026 0.000 1.154 256 P CA 1.792 64.857 63.100 -0.058 0.000 0.872 256 P CB 0.183 31.807 31.700 -0.126 0.000 0.790 257 D N -1.361 119.025 120.400 -0.023 0.000 2.384 257 D HA -0.124 4.517 4.640 0.000 0.000 0.222 257 D C 1.173 177.501 176.300 0.047 0.000 0.976 257 D CA 1.537 55.540 54.000 0.004 0.000 0.915 257 D CB -1.550 39.251 40.800 0.002 0.000 0.896 257 D HN 0.254 nan 8.370 nan 0.000 0.523 258 T N -2.690 111.889 114.554 0.042 0.000 3.107 258 T HA 0.220 4.570 4.350 0.000 0.000 0.249 258 T C 1.209 175.968 174.700 0.099 0.000 1.096 258 T CA -0.278 61.867 62.100 0.076 0.000 1.012 258 T CB -0.293 68.572 68.868 -0.005 0.000 0.977 258 T HN 0.204 nan 8.240 nan 0.000 0.527 259 L N 0.549 121.808 121.223 0.059 0.000 3.358 259 L HA 0.363 4.703 4.340 0.000 0.000 0.301 259 L C 0.850 177.735 176.870 0.025 0.000 1.276 259 L CA -0.324 54.538 54.840 0.037 0.000 1.028 259 L CB 0.515 42.593 42.059 0.031 0.000 1.421 259 L HN -0.011 nan 8.230 nan 0.000 0.604 260 D N 1.649 122.061 120.400 0.020 0.000 2.126 260 D HA -0.245 4.395 4.640 0.000 0.000 0.190 260 D C 2.149 178.455 176.300 0.010 0.000 1.001 260 D CA 1.868 55.871 54.000 0.005 0.000 0.841 260 D CB 0.182 40.973 40.800 -0.014 0.000 0.949 260 D HN 0.403 nan 8.370 nan 0.000 0.446 261 A N 0.751 123.565 122.820 -0.009 0.000 1.883 261 A HA -0.164 4.156 4.320 0.000 0.000 0.217 261 A C 2.638 180.251 177.584 0.047 0.000 1.186 261 A CA 1.662 53.707 52.037 0.013 0.000 0.624 261 A CB -0.872 18.124 19.000 -0.007 0.000 0.822 261 A HN 0.163 nan 8.150 nan 0.000 0.444 262 V N 0.208 120.113 119.914 -0.015 0.000 2.295 262 V HA -0.257 3.863 4.120 0.000 0.000 0.246 262 V C 2.572 178.771 176.094 0.175 0.000 1.049 262 V CA 1.981 64.305 62.300 0.039 0.000 1.024 262 V CB -0.765 31.058 31.823 0.000 0.000 0.648 262 V HN 0.571 nan 8.190 nan 0.000 0.447 263 L N -0.005 121.287 121.223 0.115 0.000 2.083 263 L HA -0.141 4.199 4.340 0.000 0.000 0.209 263 L C 2.721 179.661 176.870 0.117 0.000 1.083 263 L CA 1.453 56.363 54.840 0.118 0.000 0.752 263 L CB -0.849 41.251 42.059 0.069 0.000 0.899 263 L HN 0.372 nan 8.230 nan 0.000 0.433 264 A N -0.002 122.874 122.820 0.095 0.000 1.902 264 A HA -0.218 4.102 4.320 0.000 0.000 0.217 264 A C 2.299 179.952 177.584 0.114 0.000 1.181 264 A CA 1.672 53.759 52.037 0.083 0.000 0.623 264 A CB -0.315 18.719 19.000 0.056 0.000 0.818 264 A HN 0.150 nan 8.150 nan 0.000 0.443 265 K N -0.159 120.333 120.400 0.153 0.000 2.097 265 K HA 0.095 4.415 4.320 0.000 0.000 0.205 265 K C 1.753 178.535 176.600 0.304 0.000 1.050 265 K CA 0.951 57.357 56.287 0.199 0.000 0.938 265 K CB -0.488 32.100 32.500 0.148 0.000 0.718 265 K HN 0.507 nan 8.250 nan 0.000 0.442 266 L N 0.033 121.458 121.223 0.336 0.000 2.093 266 L HA -0.155 4.185 4.340 0.000 0.000 0.208 266 L C 2.320 179.283 176.870 0.154 0.000 1.085 266 L CA 1.202 56.197 54.840 0.258 0.000 0.755 266 L CB -0.261 41.930 42.059 0.220 0.000 0.904 266 L HN 0.153 nan 8.230 nan 0.000 0.435 267 R N -0.014 120.566 120.500 0.132 0.000 2.092 267 R HA -0.162 4.178 4.340 0.000 0.000 0.231 267 R C 2.075 178.429 176.300 0.090 0.000 1.119 267 R CA 1.200 57.358 56.100 0.097 0.000 0.970 267 R CB -0.234 30.115 30.300 0.081 0.000 0.864 267 R HN 0.436 nan 8.270 nan 0.000 0.440 268 E N 0.299 120.558 120.200 0.098 0.000 2.204 268 E HA -0.131 4.219 4.350 0.000 0.000 0.195 268 E C 1.623 178.273 176.600 0.083 0.000 0.990 268 E CA 0.975 57.424 56.400 0.082 0.000 0.821 268 E CB 0.054 29.801 29.700 0.079 0.000 0.750 268 E HN 0.332 nan 8.360 nan 0.000 0.477 269 A N -0.298 122.584 122.820 0.104 0.000 2.208 269 A HA 0.216 4.536 4.320 0.000 0.000 0.209 269 A C 1.639 179.260 177.584 0.062 0.000 1.161 269 A CA 0.935 53.021 52.037 0.082 0.000 0.782 269 A CB 0.037 19.088 19.000 0.086 0.000 0.816 269 A HN 0.340 nan 8.150 nan 0.000 0.477 270 G N -2.421 106.421 108.800 0.069 0.000 2.168 270 G HA2 0.189 4.149 3.960 0.000 0.000 0.197 270 G HA3 0.189 4.149 3.960 0.000 0.000 0.197 270 G C 0.316 175.261 174.900 0.075 0.000 0.997 270 G CA 0.055 45.195 45.100 0.067 0.000 0.658 270 G HN 1.431 nan 8.290 nan 0.000 0.513 271 A N 0.182 123.044 122.820 0.070 0.000 2.388 271 A HA 0.572 4.892 4.320 0.000 0.000 0.257 271 A C 0.117 177.746 177.584 0.075 0.000 1.095 271 A CA 0.558 52.630 52.037 0.058 0.000 0.791 271 A CB 0.584 19.616 19.000 0.053 0.000 1.029 271 A HN 0.538 nan 8.150 nan 0.000 0.489 272 D N 2.074 122.512 120.400 0.063 0.000 2.428 272 D HA 0.448 5.088 4.640 0.000 0.000 0.221 272 D C -0.571 175.773 176.300 0.074 0.000 1.123 272 D CA 0.071 54.132 54.000 0.101 0.000 0.869 272 D CB -0.068 40.846 40.800 0.190 0.000 1.032 272 D HN 0.351 nan 8.370 nan 0.000 0.506 273 I N 2.905 123.525 120.570 0.084 0.000 2.441 273 I HA 0.377 4.548 4.170 0.000 0.000 0.295 273 I C 0.256 176.427 176.117 0.091 0.000 0.994 273 I CA -0.767 60.585 61.300 0.086 0.000 1.144 273 I CB 1.704 39.749 38.000 0.075 0.000 1.314 273 I HN 0.258 nan 8.210 nan 0.000 0.445 274 E N 3.661 123.934 120.200 0.122 0.000 2.293 274 E HA 0.539 4.889 4.350 0.000 0.000 0.270 274 E C -1.101 175.493 176.600 -0.009 0.000 0.879 274 E CA -0.806 55.665 56.400 0.118 0.000 0.756 274 E CB 2.745 32.597 29.700 0.254 0.000 1.208 274 E HN 0.667 nan 8.360 nan 0.000 0.428 275 T N -1.223 113.165 114.554 -0.278 0.000 2.916 275 T HA 0.816 5.166 4.350 0.000 0.000 0.292 275 T C 0.163 174.150 174.700 -1.188 0.000 1.055 275 T CA -0.731 60.944 62.100 -0.707 0.000 1.009 275 T CB 1.994 70.635 68.868 -0.379 0.000 1.118 275 T HN 0.517 nan 8.240 nan 0.000 0.497 276 G N -0.103 107.627 108.800 -1.785 0.000 3.251 276 G HA2 0.494 4.454 3.960 0.000 0.000 0.248 276 G HA3 0.494 4.454 3.960 0.000 0.000 0.248 276 G C 0.251 174.736 174.900 -0.692 0.000 1.320 276 G CA -0.473 43.795 45.100 -1.386 0.000 0.982 276 G HN 0.707 nan 8.290 nan 0.000 0.575 277 E N -0.343 119.659 120.200 -0.329 0.000 2.072 277 E HA -0.080 4.270 4.350 0.000 0.000 0.191 277 E C 0.913 177.434 176.600 -0.131 0.000 0.985 277 E CA 2.037 58.350 56.400 -0.145 0.000 0.801 277 E CB 0.160 29.849 29.700 -0.017 0.000 0.750 277 E HN 0.468 nan 8.360 nan 0.000 0.452 278 D N -1.153 119.195 120.400 -0.086 0.000 2.760 278 D HA 0.069 4.709 4.640 0.000 0.000 0.314 278 D C -0.494 175.876 176.300 0.118 0.000 1.464 278 D CA -0.567 53.439 54.000 0.010 0.000 0.797 278 D CB -0.875 39.970 40.800 0.075 0.000 1.149 278 D HN 0.305 nan 8.370 nan 0.000 0.455 279 W N -0.115 121.189 121.300 0.006 0.000 3.137 279 W HA 0.683 5.343 4.660 0.000 0.000 0.324 279 W C -2.081 174.447 176.519 0.015 0.000 1.253 279 W CA -1.287 56.062 57.345 0.007 0.000 1.183 279 W CB 0.509 29.970 29.460 0.001 0.000 1.424 279 W HN -0.292 nan 8.180 nan 0.000 0.566 280 I N 2.882 123.661 120.570 0.348 0.000 2.619 280 I HA 0.344 4.514 4.170 0.000 0.000 0.292 280 I C -0.252 176.098 176.117 0.388 0.000 1.100 280 I CA -0.743 60.690 61.300 0.221 0.000 1.043 280 I CB 2.615 40.670 38.000 0.091 0.000 1.239 280 I HN 0.459 nan 8.210 nan 0.000 0.420 281 S N 6.774 122.709 115.700 0.391 0.000 2.513 281 S HA 0.828 5.299 4.470 0.000 0.000 0.299 281 S C -1.075 173.620 174.600 0.158 0.000 1.087 281 S CA -0.733 57.629 58.200 0.270 0.000 1.012 281 S CB 2.252 65.627 63.200 0.292 0.000 1.044 281 S HN 0.642 nan 8.310 nan 0.000 0.485 282 L N 2.288 123.565 121.223 0.090 0.000 2.410 282 L HA 0.675 5.016 4.340 0.000 0.000 0.270 282 L C -1.887 174.968 176.870 -0.026 0.000 0.983 282 L CA -0.300 54.566 54.840 0.044 0.000 0.822 282 L CB 1.854 43.946 42.059 0.055 0.000 1.285 282 L HN 0.835 nan 8.230 nan 0.000 0.409 283 D N 4.912 125.250 120.400 -0.104 0.000 2.696 283 D HA 0.277 4.918 4.640 0.000 0.000 0.251 283 D C 0.260 176.348 176.300 -0.353 0.000 1.188 283 D CA -0.427 53.404 54.000 -0.283 0.000 0.876 283 D CB 1.905 42.419 40.800 -0.475 0.000 1.334 283 D HN 0.490 nan 8.370 nan 0.000 0.540 284 M N 1.597 121.060 119.600 -0.229 0.000 2.541 284 M HA 0.021 4.501 4.480 0.000 0.000 0.252 284 M C 0.129 176.408 176.300 -0.034 0.000 1.125 284 M CA 0.319 55.557 55.300 -0.102 0.000 1.091 284 M CB -0.655 31.924 32.600 -0.035 0.000 1.420 284 M HN 0.491 nan 8.290 nan 0.000 0.486 285 H N 0.010 119.092 119.070 0.021 0.000 2.770 285 H HA -0.152 4.405 4.556 0.000 0.000 0.309 285 H C 1.325 176.662 175.328 0.014 0.000 1.206 285 H CA 0.896 56.954 56.048 0.017 0.000 1.147 285 H CB -2.249 27.524 29.762 0.019 0.000 1.422 285 H HN 0.632 nan 8.280 nan 0.000 0.420 286 G N -0.456 108.386 108.800 0.070 0.000 2.186 286 G HA2 -0.366 3.595 3.960 0.000 0.000 0.266 286 G HA3 -0.366 3.595 3.960 0.000 0.000 0.266 286 G C 0.395 175.324 174.900 0.047 0.000 0.982 286 G CA 0.937 46.067 45.100 0.049 0.000 0.670 286 G HN 0.400 nan 8.290 nan 0.000 0.533 287 K N 0.384 120.820 120.400 0.061 0.000 2.205 287 K HA 0.346 4.667 4.320 0.000 0.000 0.279 287 K C 0.765 177.384 176.600 0.031 0.000 1.027 287 K CA -0.794 55.523 56.287 0.051 0.000 0.932 287 K CB 1.219 33.761 32.500 0.070 0.000 1.032 287 K HN 0.478 nan 8.250 nan 0.000 0.466 288 R N 3.734 124.249 120.500 0.025 0.000 2.590 288 R HA 0.092 4.432 4.340 0.000 0.000 0.274 288 R C -1.937 174.373 176.300 0.017 0.000 1.061 288 R CA -0.926 55.183 56.100 0.015 0.000 1.081 288 R CB 0.278 30.587 30.300 0.015 0.000 0.984 288 R HN 0.368 nan 8.270 nan 0.000 0.448 289 P HA 0.067 nan 4.420 nan 0.000 0.272 289 P C -1.264 176.047 177.300 0.018 0.000 1.223 289 P CA -0.071 63.035 63.100 0.009 0.000 0.784 289 P CB 0.751 32.443 31.700 -0.014 0.000 0.923 290 K N 1.105 121.522 120.400 0.028 0.000 2.172 290 K HA 0.475 4.795 4.320 0.000 0.000 0.276 290 K C 0.258 176.878 176.600 0.035 0.000 1.013 290 K CA -0.632 55.674 56.287 0.032 0.000 0.913 290 K CB 1.333 33.855 32.500 0.037 0.000 1.055 290 K HN 0.555 nan 8.250 nan 0.000 0.461 291 A N 2.300 125.137 122.820 0.029 0.000 2.531 291 A HA 0.266 4.586 4.320 0.000 0.000 0.236 291 A C 0.369 177.973 177.584 0.034 0.000 1.062 291 A CA -0.228 51.825 52.037 0.026 0.000 0.760 291 A CB -0.079 18.930 19.000 0.015 0.000 0.995 291 A HN 0.547 nan 8.150 nan 0.000 0.501 292 V N -0.304 119.636 119.914 0.043 0.000 3.074 292 V HA 0.874 4.994 4.120 0.000 0.000 0.314 292 V C -0.104 175.988 176.094 -0.003 0.000 1.117 292 V CA -0.609 61.715 62.300 0.040 0.000 1.014 292 V CB 1.771 33.651 31.823 0.095 0.000 1.057 292 V HN 0.771 nan 8.190 nan 0.000 0.438 293 T N 1.922 116.456 114.554 -0.033 0.000 2.779 293 T HA 0.734 5.084 4.350 0.000 0.000 0.280 293 T C -0.558 174.057 174.700 -0.141 0.000 0.987 293 T CA -0.268 61.790 62.100 -0.070 0.000 0.966 293 T CB 1.311 70.150 68.868 -0.049 0.000 0.933 293 T HN 0.748 nan 8.240 nan 0.000 0.442 294 V N 3.555 123.344 119.914 -0.209 0.000 2.823 294 V HA 0.680 4.800 4.120 0.000 0.000 0.312 294 V C -0.254 175.686 176.094 -0.255 0.000 1.072 294 V CA -1.048 61.017 62.300 -0.391 0.000 0.937 294 V CB 2.304 33.652 31.823 -0.791 0.000 1.013 294 V HN 0.746 nan 8.190 nan 0.000 0.430 295 R N 1.895 122.261 120.500 -0.224 0.000 2.575 295 R HA 0.448 4.789 4.340 0.000 0.000 0.292 295 R C -0.136 176.162 176.300 -0.004 0.000 1.246 295 R CA -0.251 55.802 56.100 -0.079 0.000 0.973 295 R CB 1.425 31.699 30.300 -0.043 0.000 1.187 295 R HN 0.974 nan 8.270 nan 0.000 0.478 296 T N 0.841 115.432 114.554 0.061 0.000 2.903 296 T HA 0.648 4.998 4.350 0.000 0.000 0.314 296 T C 0.252 175.004 174.700 0.086 0.000 1.078 296 T CA 0.033 62.239 62.100 0.177 0.000 1.114 296 T CB 1.532 70.516 68.868 0.194 0.000 0.987 296 T HN 0.657 nan 8.240 nan 0.000 0.548 297 A N 2.715 125.585 122.820 0.084 0.000 2.544 297 A HA 0.710 5.030 4.320 0.000 0.000 0.291 297 A C -3.155 174.446 177.584 0.028 0.000 1.055 297 A CA -1.672 50.382 52.037 0.028 0.000 0.651 297 A CB 0.139 19.149 19.000 0.018 0.000 1.296 297 A HN 0.656 nan 8.150 nan 0.000 0.431 298 P HA 0.255 nan 4.420 nan 0.000 0.268 298 P C -0.314 177.020 177.300 0.057 0.000 1.208 298 P CA 0.368 63.487 63.100 0.033 0.000 0.777 298 P CB 0.156 31.865 31.700 0.015 0.000 0.875 299 H N 4.026 123.091 119.070 -0.009 0.000 3.016 299 H HA 0.003 4.559 4.556 0.000 0.000 0.345 299 H C -1.206 174.118 175.328 -0.008 0.000 1.066 299 H CA -0.608 55.432 56.048 -0.013 0.000 1.390 299 H CB 0.212 29.968 29.762 -0.011 0.000 1.344 299 H HN 0.323 nan 8.280 nan 0.000 0.605 300 P HA 0.124 nan 4.420 nan 0.000 0.255 300 P C -0.381 176.690 177.300 -0.383 0.000 1.301 300 P CA 0.214 62.701 63.100 -1.022 0.000 0.817 300 P CB -0.081 31.186 31.700 -0.721 0.000 1.259 301 A N 0.480 123.200 122.820 -0.167 0.000 2.262 301 A HA 0.244 4.564 4.320 0.000 0.000 0.273 301 A C -0.205 177.386 177.584 0.011 0.000 1.202 301 A CA -0.545 51.466 52.037 -0.042 0.000 0.811 301 A CB -0.565 18.436 19.000 0.002 0.000 1.159 301 A HN 0.174 nan 8.150 nan 0.000 0.505 302 F N 1.762 121.667 119.950 -0.074 0.000 2.571 302 F HA 0.277 4.804 4.527 0.000 0.000 0.384 302 F C -1.657 174.120 175.800 -0.039 0.000 1.058 302 F CA -1.486 56.459 58.000 -0.090 0.000 1.200 302 F CB 0.591 39.500 39.000 -0.152 0.000 1.077 302 F HN 0.253 nan 8.300 nan 0.000 0.558 303 P HA -0.011 nan 4.420 nan 0.000 0.276 303 P C 0.283 177.555 177.300 -0.046 0.000 1.230 303 P CA -0.093 62.903 63.100 -0.173 0.000 0.776 303 P CB 1.556 33.134 31.700 -0.204 0.000 0.888 304 T N 2.093 116.719 114.554 0.121 0.000 2.881 304 T HA -0.136 4.214 4.350 0.000 0.000 0.270 304 T C 1.708 176.517 174.700 0.182 0.000 1.068 304 T CA 1.604 63.835 62.100 0.218 0.000 1.131 304 T CB -0.596 68.427 68.868 0.259 0.000 0.871 304 T HN 0.438 nan 8.240 nan 0.000 0.479 305 A N 0.595 123.477 122.820 0.103 0.000 2.216 305 A HA 0.159 4.479 4.320 0.000 0.000 0.214 305 A C 2.057 179.677 177.584 0.059 0.000 1.160 305 A CA 0.908 52.984 52.037 0.065 0.000 0.725 305 A CB -0.338 18.680 19.000 0.030 0.000 0.784 305 A HN 0.518 nan 8.150 nan 0.000 0.472 306 M N -1.366 118.268 119.600 0.056 0.000 2.308 306 M HA 0.074 4.555 4.480 0.000 0.000 0.269 306 M C 1.853 178.405 176.300 0.421 0.000 1.040 306 M CA 0.348 55.732 55.300 0.141 0.000 1.024 306 M CB -0.281 32.242 32.600 -0.128 0.000 1.465 306 M HN 0.594 nan 8.290 nan 0.000 0.517 307 Q N 1.277 121.341 119.800 0.439 0.000 2.077 307 Q HA -0.172 4.168 4.340 0.000 0.000 0.206 307 Q C 1.774 177.951 176.000 0.295 0.000 0.989 307 Q CA 2.416 58.494 55.803 0.458 0.000 0.853 307 Q CB -0.015 28.952 28.738 0.381 0.000 0.907 307 Q HN 0.466 nan 8.270 nan 0.000 0.418 308 A N 0.562 123.416 122.820 0.057 0.000 1.883 308 A HA -0.266 4.054 4.320 0.000 0.000 0.217 308 A C 2.015 179.542 177.584 -0.096 0.000 1.186 308 A CA 1.930 53.742 52.037 -0.375 0.000 0.624 308 A CB -0.627 17.980 19.000 -0.655 0.000 0.822 308 A HN 0.515 nan 8.150 nan 0.000 0.444 309 Q N -1.248 118.575 119.800 0.039 0.000 2.096 309 Q HA -0.100 4.240 4.340 0.000 0.000 0.204 309 Q C 1.639 177.682 176.000 0.072 0.000 0.982 309 Q CA 1.715 57.547 55.803 0.048 0.000 0.850 309 Q CB -0.457 28.329 28.738 0.080 0.000 0.901 309 Q HN 0.691 nan 8.270 nan 0.000 0.422 310 F N -0.068 119.957 119.950 0.124 0.000 2.502 310 F HA -0.074 4.453 4.527 0.000 0.000 0.298 310 F C 2.059 177.895 175.800 0.060 0.000 1.111 310 F CA 1.007 59.076 58.000 0.116 0.000 1.445 310 F CB -0.150 38.951 39.000 0.168 0.000 1.081 310 F HN 0.019 nan 8.300 nan 0.000 0.558 311 T N 0.422 115.113 114.554 0.228 0.000 2.777 311 T HA -0.176 4.174 4.350 0.000 0.000 0.266 311 T C 2.026 176.778 174.700 0.087 0.000 1.040 311 T CA 1.226 63.426 62.100 0.168 0.000 1.141 311 T CB -0.496 68.568 68.868 0.327 0.000 0.868 311 T HN 0.145 nan 8.240 nan 0.000 0.444 312 L N 1.465 122.731 121.223 0.072 0.000 1.989 312 L HA 0.020 4.360 4.340 0.000 0.000 0.211 312 L C 2.244 179.098 176.870 -0.028 0.000 1.071 312 L CA 1.584 56.433 54.840 0.015 0.000 0.749 312 L CB -0.984 41.067 42.059 -0.013 0.000 0.890 312 L HN 0.265 nan 8.230 nan 0.000 0.431 313 L N -0.362 120.816 121.223 -0.075 0.000 2.013 313 L HA -0.297 4.043 4.340 0.000 0.000 0.212 313 L C 2.259 179.100 176.870 -0.048 0.000 1.073 313 L CA 1.955 56.727 54.840 -0.113 0.000 0.753 313 L CB -0.554 41.342 42.059 -0.271 0.000 0.890 313 L HN 0.425 nan 8.230 nan 0.000 0.432 314 N N -0.074 118.620 118.700 -0.010 0.000 2.188 314 N HA -0.143 4.598 4.740 0.000 0.000 0.184 314 N C 1.821 177.326 175.510 -0.010 0.000 1.018 314 N CA 1.333 54.383 53.050 -0.001 0.000 0.858 314 N CB -0.358 38.130 38.487 0.002 0.000 0.989 314 N HN 0.375 nan 8.380 nan 0.000 0.426 315 L N 0.462 121.677 121.223 -0.013 0.000 2.353 315 L HA -0.053 4.287 4.340 0.000 0.000 0.220 315 L C 1.314 178.181 176.870 -0.005 0.000 1.133 315 L CA 0.603 55.436 54.840 -0.012 0.000 0.798 315 L CB -0.062 41.984 42.059 -0.020 0.000 0.922 315 L HN 0.085 nan 8.230 nan 0.000 0.445 316 V N -4.813 115.096 119.914 -0.010 0.000 3.159 316 V HA 0.558 4.679 4.120 0.000 0.000 0.333 316 V C 0.587 176.681 176.094 -0.001 0.000 1.424 316 V CA -0.274 62.022 62.300 -0.007 0.000 1.125 316 V CB -0.202 31.610 31.823 -0.018 0.000 1.075 316 V HN 0.092 nan 8.190 nan 0.000 0.482 317 A N 0.590 123.412 122.820 0.004 0.000 2.248 317 A HA 0.790 5.110 4.320 0.000 0.000 0.316 317 A C -0.101 177.496 177.584 0.022 0.000 1.101 317 A CA -0.566 51.476 52.037 0.009 0.000 0.875 317 A CB 1.128 20.133 19.000 0.007 0.000 1.207 317 A HN 0.482 nan 8.150 nan 0.000 0.504 318 E N -0.180 120.034 120.200 0.023 0.000 2.105 318 E HA 0.481 4.831 4.350 0.000 0.000 0.285 318 E C 0.410 177.029 176.600 0.031 0.000 1.055 318 E CA 1.276 57.693 56.400 0.028 0.000 0.843 318 E CB -0.065 29.651 29.700 0.025 0.000 1.067 318 E HN 1.646 nan 8.360 nan 0.000 0.398 319 G N 2.765 111.589 108.800 0.040 0.000 2.483 319 G HA2 -0.129 3.831 3.960 0.000 0.000 0.521 319 G HA3 -0.129 3.831 3.960 0.000 0.000 0.521 319 G C -0.689 174.240 174.900 0.048 0.000 1.278 319 G CA -0.494 44.632 45.100 0.043 0.000 0.965 319 G HN 0.503 nan 8.290 nan 0.000 0.504 320 T N 1.275 115.854 114.554 0.042 0.000 2.753 320 T HA 0.626 4.976 4.350 0.000 0.000 0.297 320 T C 0.710 175.389 174.700 -0.035 0.000 0.981 320 T CA 0.563 62.669 62.100 0.010 0.000 0.956 320 T CB 1.075 69.974 68.868 0.052 0.000 0.936 320 T HN 1.390 nan 8.240 nan 0.000 0.463 321 G N 1.862 110.619 108.800 -0.070 0.000 2.371 321 G HA2 0.603 4.563 3.960 0.000 0.000 0.326 321 G HA3 0.603 4.563 3.960 0.000 0.000 0.326 321 G C -0.964 173.879 174.900 -0.096 0.000 1.127 321 G CA -0.474 44.591 45.100 -0.059 0.000 0.885 321 G HN 0.623 nan 8.290 nan 0.000 0.477 322 V N 2.812 122.681 119.914 -0.075 0.000 2.531 322 V HA 0.455 4.576 4.120 0.000 0.000 0.301 322 V C -0.286 175.764 176.094 -0.073 0.000 1.034 322 V CA -0.550 61.700 62.300 -0.083 0.000 0.865 322 V CB 1.503 33.289 31.823 -0.062 0.000 0.995 322 V HN 0.627 nan 8.190 nan 0.000 0.424 323 I N 3.438 123.967 120.570 -0.068 0.000 2.406 323 I HA 0.470 4.640 4.170 0.000 0.000 0.290 323 I C -0.170 175.992 176.117 0.075 0.000 0.999 323 I CA -0.194 61.089 61.300 -0.030 0.000 1.124 323 I CB 2.242 40.241 38.000 -0.002 0.000 1.289 323 I HN 0.498 nan 8.210 nan 0.000 0.441 324 T N 4.373 118.969 114.554 0.070 0.000 2.791 324 T HA 0.254 4.604 4.350 0.000 0.000 0.288 324 T C -0.428 174.344 174.700 0.120 0.000 0.999 324 T CA -0.439 61.736 62.100 0.126 0.000 0.952 324 T CB 1.266 70.164 68.868 0.050 0.000 0.938 324 T HN 0.436 nan 8.240 nan 0.000 0.444 325 E N 2.124 122.414 120.200 0.149 0.000 2.146 325 E HA 0.367 4.717 4.350 0.000 0.000 0.282 325 E C 0.901 177.486 176.600 -0.025 0.000 0.989 325 E CA -0.520 55.904 56.400 0.040 0.000 0.799 325 E CB 0.758 30.386 29.700 -0.120 0.000 1.088 325 E HN 0.638 nan 8.360 nan 0.000 0.397 326 T N 2.071 116.612 114.554 -0.022 0.000 3.044 326 T HA 0.194 4.544 4.350 0.000 0.000 0.260 326 T C 1.097 175.726 174.700 -0.118 0.000 1.019 326 T CA -0.166 61.900 62.100 -0.057 0.000 0.921 326 T CB -0.003 68.841 68.868 -0.039 0.000 1.053 326 T HN 0.395 nan 8.240 nan 0.000 0.533 327 I N -0.140 120.335 120.570 -0.159 0.000 2.729 327 I HA 0.402 4.572 4.170 0.000 0.000 0.256 327 I C 0.126 175.871 176.117 -0.620 0.000 1.115 327 I CA 0.018 61.081 61.300 -0.395 0.000 1.446 327 I CB -0.607 37.127 38.000 -0.444 0.000 1.176 327 I HN 0.203 nan 8.210 nan 0.000 0.446 328 F N 2.350 122.260 119.950 -0.066 0.000 2.482 328 F HA 0.246 4.774 4.527 0.000 0.000 0.331 328 F C 1.456 177.175 175.800 -0.135 0.000 1.115 328 F CA -0.800 57.149 58.000 -0.084 0.000 0.955 328 F CB 1.221 40.178 39.000 -0.073 0.000 1.136 328 F HN 0.012 nan 8.300 nan 0.000 0.452 329 E N 0.845 121.083 120.200 0.063 0.000 2.505 329 E HA -0.093 4.257 4.350 0.000 0.000 0.197 329 E C -0.471 176.093 176.600 -0.060 0.000 1.111 329 E CA 0.516 56.900 56.400 -0.027 0.000 0.887 329 E CB -0.290 29.403 29.700 -0.012 0.000 0.913 329 E HN 0.658 nan 8.360 nan 0.000 0.517 330 N N 0.251 118.914 118.700 -0.062 0.000 2.728 330 N HA 0.096 4.836 4.740 0.000 0.000 0.221 330 N C -0.990 174.475 175.510 -0.075 0.000 1.412 330 N CA -0.160 52.843 53.050 -0.078 0.000 1.003 330 N CB 0.389 38.862 38.487 -0.023 0.000 1.525 330 N HN -0.001 nan 8.380 nan 0.000 0.552 331 R N 0.715 121.112 120.500 -0.171 0.000 2.865 331 R HA 0.373 4.713 4.340 0.000 0.000 0.370 331 R C -0.577 175.829 176.300 0.178 0.000 1.168 331 R CA -0.020 56.061 56.100 -0.031 0.000 1.058 331 R CB -0.194 30.110 30.300 0.007 0.000 1.419 331 R HN 0.296 nan 8.270 nan 0.000 0.580 332 F N -0.259 119.744 119.950 0.087 0.000 2.775 332 F HA 0.161 4.688 4.527 0.000 0.000 0.313 332 F C 1.286 176.967 175.800 -0.198 0.000 1.121 332 F CA -0.499 57.448 58.000 -0.089 0.000 1.206 332 F CB 0.703 39.649 39.000 -0.090 0.000 1.052 332 F HN 0.090 nan 8.300 nan 0.000 0.524 333 M N 0.207 119.900 119.600 0.155 0.000 2.358 333 M HA -0.185 4.295 4.480 0.000 0.000 0.264 333 M C 2.359 178.683 176.300 0.039 0.000 1.064 333 M CA 1.317 56.659 55.300 0.070 0.000 1.093 333 M CB -0.554 32.079 32.600 0.056 0.000 1.401 333 M HN 0.314 nan 8.290 nan 0.000 0.440 334 H N -1.188 117.907 119.070 0.041 0.000 2.470 334 H HA 0.061 4.617 4.556 0.000 0.000 0.289 334 H C 2.059 177.388 175.328 0.002 0.000 1.033 334 H CA 0.951 57.004 56.048 0.008 0.000 1.331 334 H CB -1.223 28.546 29.762 0.012 0.000 1.414 334 H HN 0.212 nan 8.280 nan 0.000 0.545 335 V N 2.538 122.159 119.914 -0.488 0.000 2.252 335 V HA -0.199 3.921 4.120 0.000 0.000 0.249 335 V C -0.245 175.767 176.094 -0.137 0.000 1.056 335 V CA 2.462 64.573 62.300 -0.316 0.000 1.022 335 V CB -1.436 30.162 31.823 -0.375 0.000 0.641 335 V HN 0.406 nan 8.190 nan 0.000 0.445 336 P HA -0.118 nan 4.420 nan 0.000 0.218 336 P C 1.564 178.843 177.300 -0.034 0.000 1.148 336 P CA 1.169 64.240 63.100 -0.048 0.000 0.822 336 P CB -0.012 31.671 31.700 -0.028 0.000 0.784 337 E N -0.480 119.704 120.200 -0.027 0.000 2.072 337 E HA -0.059 4.292 4.350 0.000 0.000 0.190 337 E C 2.117 178.707 176.600 -0.018 0.000 0.982 337 E CA 0.920 57.312 56.400 -0.013 0.000 0.803 337 E CB -0.942 28.760 29.700 0.003 0.000 0.755 337 E HN 0.313 nan 8.360 nan 0.000 0.453 338 L N 0.583 121.794 121.223 -0.020 0.000 2.141 338 L HA -0.090 4.250 4.340 0.000 0.000 0.209 338 L C 2.459 179.296 176.870 -0.055 0.000 1.094 338 L CA 0.603 55.427 54.840 -0.027 0.000 0.763 338 L CB -0.323 41.728 42.059 -0.014 0.000 0.908 338 L HN 0.074 nan 8.230 nan 0.000 0.437 339 I N -0.521 120.014 120.570 -0.058 0.000 2.454 339 I HA -0.265 3.905 4.170 0.000 0.000 0.254 339 I C 2.598 178.678 176.117 -0.061 0.000 1.156 339 I CA 1.062 62.322 61.300 -0.068 0.000 1.433 339 I CB -0.240 37.736 38.000 -0.040 0.000 1.082 339 I HN 0.210 nan 8.210 nan 0.000 0.432 340 R N 0.243 120.719 120.500 -0.040 0.000 2.148 340 R HA -0.046 4.294 4.340 0.000 0.000 0.227 340 R C 1.817 178.094 176.300 -0.038 0.000 1.103 340 R CA 1.052 57.134 56.100 -0.030 0.000 0.983 340 R CB -0.090 30.199 30.300 -0.018 0.000 0.874 340 R HN 0.348 nan 8.270 nan 0.000 0.451 341 M N -0.711 118.861 119.600 -0.048 0.000 2.505 341 M HA 0.150 4.630 4.480 0.000 0.000 0.230 341 M C 0.653 176.905 176.300 -0.080 0.000 1.153 341 M CA 0.413 55.683 55.300 -0.050 0.000 0.997 341 M CB 1.208 33.784 32.600 -0.039 0.000 1.606 341 M HN 0.414 nan 8.290 nan 0.000 0.481 342 G N 0.321 109.050 108.800 -0.118 0.000 2.176 342 G HA2 -0.197 3.764 3.960 0.000 0.000 0.232 342 G HA3 -0.197 3.764 3.960 0.000 0.000 0.232 342 G C 0.216 174.883 174.900 -0.387 0.000 0.986 342 G CA -0.041 44.935 45.100 -0.205 0.000 0.643 342 G HN 0.661 nan 8.290 nan 0.000 0.522 343 A N 0.509 123.167 122.820 -0.270 0.000 2.366 343 A HA 0.631 4.952 4.320 0.000 0.000 0.249 343 A C 0.162 177.537 177.584 -0.347 0.000 1.084 343 A CA 0.065 51.949 52.037 -0.254 0.000 0.794 343 A CB 0.260 19.192 19.000 -0.113 0.000 1.034 343 A HN 0.509 nan 8.150 nan 0.000 0.491 344 H N -0.267 118.817 119.070 0.023 0.000 2.529 344 H HA 0.736 5.292 4.556 0.000 0.000 0.348 344 H C -0.114 175.251 175.328 0.061 0.000 1.079 344 H CA 0.381 56.464 56.048 0.057 0.000 1.198 344 H CB 1.690 31.510 29.762 0.097 0.000 1.521 344 H HN 1.044 nan 8.280 nan 0.000 0.514 345 A N 2.540 125.466 122.820 0.176 0.000 2.569 345 A HA 0.514 4.835 4.320 0.000 0.000 0.292 345 A C -1.440 176.155 177.584 0.017 0.000 1.032 345 A CA -0.841 51.216 52.037 0.033 0.000 0.669 345 A CB 1.471 20.415 19.000 -0.094 0.000 1.290 345 A HN 0.552 nan 8.150 nan 0.000 0.422 346 E N 0.151 120.329 120.200 -0.036 0.000 2.266 346 E HA 0.683 5.033 4.350 0.000 0.000 0.268 346 E C -1.163 175.384 176.600 -0.089 0.000 0.879 346 E CA -0.288 56.096 56.400 -0.026 0.000 0.762 346 E CB 2.205 31.922 29.700 0.028 0.000 1.199 346 E HN 0.533 nan 8.360 nan 0.000 0.422 347 I N 2.451 122.981 120.570 -0.066 0.000 2.339 347 I HA 0.287 4.457 4.170 0.000 0.000 0.290 347 I C -0.446 175.681 176.117 0.016 0.000 0.994 347 I CA -0.608 60.658 61.300 -0.057 0.000 1.191 347 I CB 1.080 39.076 38.000 -0.008 0.000 1.343 347 I HN 0.251 nan 8.210 nan 0.000 0.458 348 E N 5.400 125.623 120.200 0.038 0.000 2.267 348 E HA 0.323 4.673 4.350 0.000 0.000 0.248 348 E C -0.014 176.636 176.600 0.083 0.000 0.899 348 E CA -0.122 56.307 56.400 0.049 0.000 0.764 348 E CB 1.696 31.412 29.700 0.027 0.000 1.227 348 E HN 0.738 nan 8.360 nan 0.000 0.421 349 S N 3.801 119.554 115.700 0.087 0.000 4.116 349 S HA -0.279 4.191 4.470 0.000 0.000 0.623 349 S C 0.625 175.312 174.600 0.144 0.000 1.933 349 S CA 1.724 59.975 58.200 0.085 0.000 4.224 349 S CB -1.081 62.152 63.200 0.056 0.000 0.208 349 S HN 0.734 nan 8.310 nan 0.000 0.527 350 N N 2.293 121.067 118.700 0.124 0.000 2.320 350 N HA 0.239 4.980 4.740 0.000 0.000 0.237 350 N C -0.126 175.584 175.510 0.333 0.000 1.129 350 N CA 0.851 53.985 53.050 0.140 0.000 0.854 350 N CB 0.221 38.712 38.487 0.007 0.000 1.083 350 N HN 0.896 nan 8.380 nan 0.000 0.504 351 T N -1.982 112.802 114.554 0.382 0.000 2.933 351 T HA 0.508 4.858 4.350 0.000 0.000 0.305 351 T C -0.957 173.750 174.700 0.012 0.000 1.092 351 T CA -0.663 61.595 62.100 0.263 0.000 1.008 351 T CB 1.673 70.602 68.868 0.101 0.000 1.102 351 T HN -0.028 nan 8.240 nan 0.000 0.469 352 V N 3.225 122.984 119.914 -0.258 0.000 2.398 352 V HA 0.589 4.709 4.120 0.000 0.000 0.286 352 V C -0.070 175.875 176.094 -0.248 0.000 1.026 352 V CA -1.145 60.906 62.300 -0.415 0.000 0.868 352 V CB 1.042 32.447 31.823 -0.695 0.000 0.982 352 V HN 0.807 nan 8.190 nan 0.000 0.443 353 I N 3.436 123.874 120.570 -0.220 0.000 2.312 353 I HA 0.332 4.502 4.170 0.000 0.000 0.291 353 I C 0.155 176.028 176.117 -0.407 0.000 1.031 353 I CA 0.002 61.148 61.300 -0.256 0.000 1.293 353 I CB 0.707 38.594 38.000 -0.188 0.000 1.403 353 I HN 0.653 nan 8.210 nan 0.000 0.484 354 C N 6.321 125.382 119.300 -0.398 0.000 2.341 354 C HA 0.436 4.896 4.460 0.000 0.000 0.338 354 C C 0.358 175.073 174.990 -0.457 0.000 1.257 354 C CA -0.550 58.255 59.018 -0.354 0.000 1.883 354 C CB 0.399 28.038 27.740 -0.168 0.000 2.334 354 C HN 0.611 nan 8.230 nan 0.000 0.524 355 H N 1.512 120.595 119.070 0.022 0.000 2.736 355 H HA 0.282 4.838 4.556 0.000 0.000 0.271 355 H C 0.621 175.986 175.328 0.061 0.000 1.184 355 H CA -0.045 56.024 56.048 0.036 0.000 1.378 355 H CB 0.828 30.612 29.762 0.037 0.000 1.428 355 H HN 0.950 nan 8.280 nan 0.000 0.500 356 G N 1.773 110.637 108.800 0.107 0.000 2.391 356 G HA2 0.249 4.209 3.960 0.000 0.000 0.234 356 G HA3 0.249 4.209 3.960 0.000 0.000 0.234 356 G C 0.460 175.419 174.900 0.098 0.000 1.284 356 G CA -0.011 45.134 45.100 0.075 0.000 0.873 356 G HN 0.428 nan 8.290 nan 0.000 0.549 357 V N 0.027 119.983 119.914 0.070 0.000 2.960 357 V HA 0.639 4.760 4.120 0.000 0.000 0.315 357 V C 1.094 177.208 176.094 0.034 0.000 1.087 357 V CA -0.527 61.815 62.300 0.070 0.000 0.982 357 V CB 1.946 33.806 31.823 0.062 0.000 1.039 357 V HN 0.725 nan 8.190 nan 0.000 0.437 358 E N 1.652 121.871 120.200 0.032 0.000 2.038 358 E HA -0.058 4.293 4.350 0.000 0.000 0.195 358 E C 0.484 177.088 176.600 0.008 0.000 1.000 358 E CA 1.822 58.233 56.400 0.019 0.000 0.803 358 E CB 0.161 29.872 29.700 0.020 0.000 0.750 358 E HN 0.683 nan 8.360 nan 0.000 0.448 359 K N -0.600 119.802 120.400 0.002 0.000 2.536 359 K HA 0.378 4.699 4.320 0.000 0.000 0.269 359 K C -0.895 175.693 176.600 -0.021 0.000 0.965 359 K CA -0.684 55.598 56.287 -0.008 0.000 0.860 359 K CB 1.674 34.171 32.500 -0.005 0.000 1.423 359 K HN 0.062 nan 8.250 nan 0.000 0.438 360 L N 0.802 122.009 121.223 -0.026 0.000 2.352 360 L HA 0.469 4.809 4.340 0.000 0.000 0.269 360 L C 0.084 176.936 176.870 -0.029 0.000 1.034 360 L CA -0.738 54.079 54.840 -0.038 0.000 0.806 360 L CB 1.768 43.804 42.059 -0.038 0.000 1.244 360 L HN 0.456 nan 8.230 nan 0.000 0.447 361 S N 0.148 115.828 115.700 -0.033 0.000 2.451 361 S HA 0.477 4.947 4.470 0.000 0.000 0.301 361 S C 0.224 174.813 174.600 -0.019 0.000 1.116 361 S CA -0.701 57.485 58.200 -0.022 0.000 1.093 361 S CB 1.661 64.849 63.200 -0.022 0.000 1.017 361 S HN 0.775 nan 8.310 nan 0.000 0.482 362 G N 1.491 110.284 108.800 -0.012 0.000 2.484 362 G HA2 0.503 4.463 3.960 0.000 0.000 0.235 362 G HA3 0.503 4.463 3.960 0.000 0.000 0.235 362 G C -0.173 174.723 174.900 -0.006 0.000 1.282 362 G CA 0.192 45.287 45.100 -0.008 0.000 0.857 362 G HN 1.033 nan 8.290 nan 0.000 0.571 363 A N 1.593 124.411 122.820 -0.003 0.000 2.511 363 A HA 0.656 4.976 4.320 0.000 0.000 0.293 363 A C -0.725 176.862 177.584 0.004 0.000 1.098 363 A CA -0.774 51.262 52.037 -0.002 0.000 0.643 363 A CB 0.746 19.742 19.000 -0.007 0.000 1.302 363 A HN 0.646 nan 8.150 nan 0.000 0.446 364 Q N 0.534 120.337 119.800 0.005 0.000 2.314 364 Q HA 0.501 4.841 4.340 0.000 0.000 0.257 364 Q C -0.190 175.814 176.000 0.005 0.000 0.975 364 Q CA -0.505 55.303 55.803 0.009 0.000 0.933 364 Q CB 1.393 30.137 28.738 0.011 0.000 1.195 364 Q HN 0.926 nan 8.270 nan 0.000 0.426 365 V N -0.111 119.806 119.914 0.005 0.000 3.046 365 V HA 0.703 4.823 4.120 0.000 0.000 0.316 365 V C -0.689 175.404 176.094 -0.002 0.000 1.104 365 V CA -1.279 61.021 62.300 0.001 0.000 1.006 365 V CB 2.218 34.040 31.823 -0.002 0.000 1.058 365 V HN 0.827 nan 8.190 nan 0.000 0.440 366 M N 2.808 122.404 119.600 -0.006 0.000 2.253 366 M HA 0.797 5.277 4.480 0.000 0.000 0.314 366 M C -0.076 176.204 176.300 -0.034 0.000 1.019 366 M CA -0.623 54.670 55.300 -0.012 0.000 0.932 366 M CB 1.501 34.102 32.600 0.002 0.000 1.606 366 M HN 1.206 nan 8.290 nan 0.000 0.430 367 A N 2.863 125.648 122.820 -0.058 0.000 2.440 367 A HA 0.427 4.747 4.320 0.000 0.000 0.251 367 A C 0.830 178.305 177.584 -0.181 0.000 1.089 367 A CA 0.198 52.163 52.037 -0.119 0.000 0.779 367 A CB -0.046 18.875 19.000 -0.131 0.000 1.022 367 A HN 0.961 nan 8.150 nan 0.000 0.492 368 T N -1.495 112.876 114.554 -0.305 0.000 2.959 368 T HA 0.359 4.709 4.350 0.000 0.000 0.254 368 T C 0.026 174.294 174.700 -0.720 0.000 1.003 368 T CA 0.651 62.540 62.100 -0.351 0.000 0.950 368 T CB -0.384 68.400 68.868 -0.140 0.000 1.090 368 T HN 0.864 nan 8.240 nan 0.000 0.503 369 D N -0.802 119.131 120.400 -0.778 0.000 2.692 369 D HA 0.394 5.034 4.640 0.000 0.000 0.290 369 D C 0.686 176.758 176.300 -0.381 0.000 1.281 369 D CA -0.937 52.683 54.000 -0.633 0.000 0.804 369 D CB 0.675 41.301 40.800 -0.290 0.000 1.331 369 D HN -0.105 nan 8.370 nan 0.000 0.432 370 L N 0.533 121.665 121.223 -0.151 0.000 1.951 370 L HA -0.108 4.232 4.340 0.000 0.000 0.222 370 L C 1.996 178.877 176.870 0.017 0.000 1.078 370 L CA 1.914 56.752 54.840 -0.004 0.000 0.778 370 L CB -0.707 41.376 42.059 0.040 0.000 0.893 370 L HN 0.487 nan 8.230 nan 0.000 0.436 371 R N 0.035 120.533 120.500 -0.003 0.000 2.148 371 R HA 0.012 4.352 4.340 0.000 0.000 0.227 371 R C 2.160 178.402 176.300 -0.096 0.000 1.103 371 R CA 1.212 57.315 56.100 0.006 0.000 0.983 371 R CB -1.530 28.766 30.300 -0.007 0.000 0.874 371 R HN 0.595 nan 8.270 nan 0.000 0.451 372 A N 1.325 124.062 122.820 -0.138 0.000 1.898 372 A HA -0.165 4.156 4.320 0.000 0.000 0.216 372 A C 2.375 179.888 177.584 -0.119 0.000 1.181 372 A CA 1.834 53.786 52.037 -0.142 0.000 0.620 372 A CB -0.557 18.398 19.000 -0.073 0.000 0.819 372 A HN 0.449 nan 8.150 nan 0.000 0.442 373 S N 0.491 116.105 115.700 -0.143 0.000 2.359 373 S HA -0.057 4.413 4.470 0.000 0.000 0.224 373 S C 2.124 176.634 174.600 -0.150 0.000 1.035 373 S CA 1.531 59.647 58.200 -0.141 0.000 1.018 373 S CB -0.811 62.300 63.200 -0.148 0.000 0.876 373 S HN 0.949 nan 8.310 nan 0.000 0.448 374 A N 1.587 124.287 122.820 -0.200 0.000 1.933 374 A HA 0.012 4.332 4.320 0.000 0.000 0.218 374 A C 2.467 179.928 177.584 -0.206 0.000 1.175 374 A CA 1.856 53.699 52.037 -0.322 0.000 0.628 374 A CB -1.207 17.469 19.000 -0.541 0.000 0.814 374 A HN 0.577 nan 8.150 nan 0.000 0.444 375 S N -0.083 115.530 115.700 -0.147 0.000 2.368 375 S HA -0.070 4.400 4.470 0.000 0.000 0.225 375 S C 1.795 176.356 174.600 -0.066 0.000 1.030 375 S CA 1.389 59.526 58.200 -0.104 0.000 0.999 375 S CB -0.421 62.714 63.200 -0.108 0.000 0.844 375 S HN 0.527 nan 8.310 nan 0.000 0.459 376 L N 0.976 122.167 121.223 -0.053 0.000 2.141 376 L HA -0.054 4.286 4.340 0.000 0.000 0.209 376 L C 2.280 179.138 176.870 -0.020 0.000 1.094 376 L CA 0.745 55.569 54.840 -0.026 0.000 0.763 376 L CB -0.631 41.415 42.059 -0.022 0.000 0.908 376 L HN 0.208 nan 8.230 nan 0.000 0.437 377 V N 0.169 120.067 119.914 -0.028 0.000 2.358 377 V HA -0.256 3.864 4.120 0.000 0.000 0.246 377 V C 2.384 178.463 176.094 -0.025 0.000 1.047 377 V CA 1.455 63.763 62.300 0.013 0.000 1.035 377 V CB -0.257 31.599 31.823 0.055 0.000 0.658 377 V HN 0.345 nan 8.190 nan 0.000 0.452 378 L N 0.011 121.195 121.223 -0.066 0.000 2.083 378 L HA -0.137 4.203 4.340 0.000 0.000 0.209 378 L C 2.728 179.572 176.870 -0.043 0.000 1.083 378 L CA 1.405 56.205 54.840 -0.066 0.000 0.752 378 L CB -0.819 41.183 42.059 -0.095 0.000 0.899 378 L HN 0.367 nan 8.230 nan 0.000 0.433 379 A N 0.552 123.351 122.820 -0.036 0.000 1.902 379 A HA -0.144 4.176 4.320 0.000 0.000 0.217 379 A C 2.423 179.996 177.584 -0.020 0.000 1.181 379 A CA 1.780 53.801 52.037 -0.026 0.000 0.623 379 A CB -1.263 17.725 19.000 -0.019 0.000 0.818 379 A HN 0.434 nan 8.150 nan 0.000 0.443 380 G N -0.943 107.849 108.800 -0.012 0.000 2.442 380 G HA2 -0.277 3.683 3.960 0.000 0.000 0.219 380 G HA3 -0.277 3.683 3.960 0.000 0.000 0.219 380 G C 1.555 176.447 174.900 -0.013 0.000 1.141 380 G CA 1.305 46.401 45.100 -0.007 0.000 0.763 380 G HN 0.530 nan 8.290 nan 0.000 0.554 381 C N 0.713 120.001 119.300 -0.019 0.000 2.422 381 C HA 0.006 4.467 4.460 0.000 0.000 0.279 381 C C 2.615 177.594 174.990 -0.018 0.000 1.305 381 C CA 0.947 59.953 59.018 -0.021 0.000 1.757 381 C CB -0.908 26.819 27.740 -0.021 0.000 1.962 381 C HN 0.665 nan 8.230 nan 0.000 0.499 382 I N -1.304 119.255 120.570 -0.019 0.000 4.018 382 I HA 0.394 4.564 4.170 0.000 0.000 0.337 382 I C 0.990 177.097 176.117 -0.016 0.000 1.327 382 I CA -0.147 61.143 61.300 -0.017 0.000 1.100 382 I CB -0.378 37.610 38.000 -0.020 0.000 1.025 382 I HN 0.066 nan 8.210 nan 0.000 0.396 383 A N 1.740 124.551 122.820 -0.016 0.000 2.313 383 A HA 0.343 4.663 4.320 0.000 0.000 0.261 383 A C 0.119 177.695 177.584 -0.013 0.000 1.090 383 A CA -0.278 51.749 52.037 -0.016 0.000 0.807 383 A CB 0.229 19.219 19.000 -0.017 0.000 1.055 383 A HN 0.315 nan 8.150 nan 0.000 0.492 384 E N 0.685 120.878 120.200 -0.012 0.000 2.003 384 E HA 0.455 4.805 4.350 0.000 0.000 0.279 384 E C 0.724 177.320 176.600 -0.008 0.000 1.132 384 E CA 1.134 57.529 56.400 -0.009 0.000 0.888 384 E CB 0.253 29.948 29.700 -0.008 0.000 1.056 384 E HN 1.237 nan 8.360 nan 0.000 0.399 385 G N 2.931 111.727 108.800 -0.007 0.000 2.341 385 G HA2 -0.175 3.786 3.960 0.000 0.000 0.196 385 G HA3 -0.175 3.786 3.960 0.000 0.000 0.196 385 G C -0.583 174.314 174.900 -0.005 0.000 1.231 385 G CA -0.719 44.377 45.100 -0.005 0.000 1.155 385 G HN 0.368 nan 8.290 nan 0.000 0.529 386 T N 1.454 116.007 114.554 -0.002 0.000 2.771 386 T HA 0.677 5.027 4.350 0.000 0.000 0.281 386 T C -0.180 174.523 174.700 0.004 0.000 0.982 386 T CA 0.257 62.357 62.100 0.001 0.000 0.978 386 T CB 1.465 70.335 68.868 0.003 0.000 0.930 386 T HN 0.709 nan 8.240 nan 0.000 0.447 387 T N 2.697 117.255 114.554 0.008 0.000 2.829 387 T HA 0.572 4.922 4.350 0.000 0.000 0.280 387 T C -0.526 174.192 174.700 0.029 0.000 0.999 387 T CA -0.550 61.558 62.100 0.014 0.000 0.983 387 T CB 1.357 70.231 68.868 0.011 0.000 0.968 387 T HN 0.320 nan 8.240 nan 0.000 0.446 388 V N 3.556 123.489 119.914 0.031 0.000 2.376 388 V HA 0.362 4.482 4.120 0.000 0.000 0.287 388 V C -0.289 175.831 176.094 0.043 0.000 1.015 388 V CA -0.802 61.526 62.300 0.047 0.000 0.834 388 V CB 1.675 33.520 31.823 0.037 0.000 1.001 388 V HN 0.729 nan 8.190 nan 0.000 0.428 389 V N 3.939 123.891 119.914 0.063 0.000 2.334 389 V HA 0.284 4.404 4.120 0.000 0.000 0.267 389 V C 0.100 176.191 176.094 -0.005 0.000 1.040 389 V CA -0.352 61.963 62.300 0.025 0.000 0.866 389 V CB 1.293 33.135 31.823 0.031 0.000 1.019 389 V HN 0.904 nan 8.190 nan 0.000 0.468 390 D N 4.072 124.466 120.400 -0.011 0.000 2.313 390 D HA 0.313 4.953 4.640 0.000 0.000 0.247 390 D C 0.831 177.100 176.300 -0.051 0.000 1.094 390 D CA -0.126 53.866 54.000 -0.013 0.000 0.925 390 D CB 0.487 41.293 40.800 0.010 0.000 1.188 390 D HN 0.488 nan 8.370 nan 0.000 0.430 391 R N 1.798 122.274 120.500 -0.041 0.000 3.423 391 R HA -0.176 4.164 4.340 0.000 0.000 0.271 391 R C 0.832 176.932 176.300 -0.333 0.000 1.093 391 R CA 0.575 56.609 56.100 -0.109 0.000 0.730 391 R CB -2.276 27.960 30.300 -0.106 0.000 1.190 391 R HN 0.500 nan 8.270 nan 0.000 0.437 392 I N -2.061 118.334 120.570 -0.291 0.000 3.241 392 I HA -0.145 4.025 4.170 0.000 0.000 0.280 392 I C 2.028 177.933 176.117 -0.353 0.000 1.320 392 I CA 0.682 61.723 61.300 -0.432 0.000 1.413 392 I CB -1.012 36.465 38.000 -0.870 0.000 1.060 392 I HN 0.327 nan 8.210 nan 0.000 0.500 393 Y N 0.001 120.178 120.300 -0.205 0.000 2.256 393 Y HA -0.236 4.314 4.550 0.000 0.000 0.288 393 Y C 2.383 178.199 175.900 -0.141 0.000 1.155 393 Y CA 1.444 59.434 58.100 -0.183 0.000 1.203 393 Y CB -1.694 36.642 38.460 -0.206 0.000 0.980 393 Y HN 0.217 nan 8.280 nan 0.000 0.530 394 H N 0.517 119.250 119.070 -0.562 0.000 2.353 394 H HA -0.191 4.365 4.556 0.000 0.000 0.298 394 H C 2.368 177.635 175.328 -0.102 0.000 1.103 394 H CA 2.054 57.914 56.048 -0.314 0.000 1.293 394 H CB -0.359 29.149 29.762 -0.423 0.000 1.372 394 H HN 0.502 nan 8.280 nan 0.000 0.501 395 I N 1.049 121.613 120.570 -0.010 0.000 2.493 395 I HA -0.203 3.968 4.170 0.000 0.000 0.254 395 I C 1.274 177.473 176.117 0.137 0.000 1.160 395 I CA 1.019 62.346 61.300 0.045 0.000 1.445 395 I CB 0.012 37.944 38.000 -0.112 0.000 1.086 395 I HN 0.089 nan 8.210 nan 0.000 0.433 396 D N 0.397 120.843 120.400 0.077 0.000 2.348 396 D HA -0.119 4.522 4.640 0.000 0.000 0.216 396 D C 2.103 178.470 176.300 0.112 0.000 0.970 396 D CA 0.577 54.641 54.000 0.106 0.000 0.889 396 D CB -0.085 40.762 40.800 0.078 0.000 0.912 396 D HN 0.375 nan 8.370 nan 0.000 0.524 397 R N -0.114 120.455 120.500 0.116 0.000 2.090 397 R HA 0.001 4.341 4.340 0.000 0.000 0.228 397 R C 1.872 178.212 176.300 0.066 0.000 1.110 397 R CA 1.241 57.397 56.100 0.092 0.000 0.973 397 R CB 0.070 30.430 30.300 0.101 0.000 0.869 397 R HN 0.109 nan 8.270 nan 0.000 0.440 398 G N -1.793 107.052 108.800 0.075 0.000 3.441 398 G HA2 0.099 4.059 3.960 0.000 0.000 0.263 398 G HA3 0.099 4.059 3.960 0.000 0.000 0.263 398 G C -0.594 174.167 174.900 -0.231 0.000 1.014 398 G CA -0.206 44.851 45.100 -0.072 0.000 0.833 398 G HN 0.064 nan 8.290 nan 0.000 0.514 399 Y N 0.588 120.917 120.300 0.048 0.000 2.326 399 Y HA 0.405 4.955 4.550 0.000 0.000 0.329 399 Y C -0.069 175.887 175.900 0.093 0.000 0.973 399 Y CA -1.298 56.845 58.100 0.072 0.000 1.162 399 Y CB 1.755 40.254 38.460 0.064 0.000 1.147 399 Y HN 0.066 nan 8.280 nan 0.000 0.456 400 E N 4.102 124.428 120.200 0.210 0.000 2.180 400 E HA 0.268 4.618 4.350 0.000 0.000 0.283 400 E C -0.266 176.449 176.600 0.192 0.000 1.061 400 E CA -0.416 56.081 56.400 0.162 0.000 0.861 400 E CB 0.321 30.084 29.700 0.105 0.000 1.056 400 E HN 0.683 nan 8.360 nan 0.000 0.407 401 R N 3.412 124.014 120.500 0.170 0.000 3.225 401 R HA -0.225 4.115 4.340 0.000 0.000 0.245 401 R C 1.039 177.456 176.300 0.195 0.000 0.928 401 R CA 0.551 56.745 56.100 0.158 0.000 0.632 401 R CB -1.856 28.509 30.300 0.108 0.000 1.038 401 R HN 0.764 nan 8.270 nan 0.000 0.461 402 I N 0.342 121.064 120.570 0.253 0.000 2.394 402 I HA -0.267 3.904 4.170 0.000 0.000 0.251 402 I C 2.459 178.682 176.117 0.178 0.000 1.136 402 I CA 1.829 63.292 61.300 0.271 0.000 1.425 402 I CB -0.050 38.059 38.000 0.181 0.000 1.079 402 I HN 0.521 nan 8.210 nan 0.000 0.425 403 E N 0.820 121.098 120.200 0.131 0.000 2.058 403 E HA -0.299 4.051 4.350 0.000 0.000 0.194 403 E C 1.559 178.143 176.600 -0.028 0.000 0.997 403 E CA 2.008 58.373 56.400 -0.057 0.000 0.801 403 E CB -0.050 29.594 29.700 -0.092 0.000 0.746 403 E HN 0.498 nan 8.360 nan 0.000 0.450 404 D N 0.493 120.909 120.400 0.027 0.000 2.097 404 D HA -0.117 4.524 4.640 0.000 0.000 0.197 404 D C 1.937 178.246 176.300 0.016 0.000 0.984 404 D CA 1.068 55.076 54.000 0.014 0.000 0.826 404 D CB -0.164 40.651 40.800 0.026 0.000 0.973 404 D HN 0.209 nan 8.370 nan 0.000 0.460 405 K N 0.323 120.754 120.400 0.051 0.000 2.057 405 K HA -0.055 4.266 4.320 0.000 0.000 0.207 405 K C 2.334 178.957 176.600 0.038 0.000 1.049 405 K CA 0.593 56.882 56.287 0.003 0.000 0.931 405 K CB -0.159 32.342 32.500 0.002 0.000 0.714 405 K HN 0.140 nan 8.250 nan 0.000 0.440 406 L N 0.507 121.812 121.223 0.137 0.000 2.056 406 L HA -0.154 4.186 4.340 0.000 0.000 0.207 406 L C 2.759 179.646 176.870 0.027 0.000 1.078 406 L CA 1.052 55.967 54.840 0.126 0.000 0.749 406 L CB -0.320 41.791 42.059 0.086 0.000 0.901 406 L HN 0.194 nan 8.230 nan 0.000 0.433 407 R N 0.460 120.953 120.500 -0.011 0.000 2.073 407 R HA -0.175 4.165 4.340 0.000 0.000 0.234 407 R C 2.182 178.468 176.300 -0.024 0.000 1.134 407 R CA 1.483 57.564 56.100 -0.032 0.000 0.952 407 R CB -0.271 30.001 30.300 -0.046 0.000 0.850 407 R HN 0.324 nan 8.270 nan 0.000 0.433 408 A N 0.347 123.152 122.820 -0.025 0.000 2.225 408 A HA -0.052 4.268 4.320 0.000 0.000 0.215 408 A C 1.704 179.268 177.584 -0.034 0.000 1.164 408 A CA 0.892 52.908 52.037 -0.034 0.000 0.710 408 A CB -0.200 18.771 19.000 -0.048 0.000 0.780 408 A HN 0.375 nan 8.150 nan 0.000 0.473 409 L N -2.039 119.172 121.223 -0.020 0.000 2.693 409 L HA 0.313 4.653 4.340 0.000 0.000 0.235 409 L C 1.455 178.323 176.870 -0.004 0.000 1.127 409 L CA 0.541 55.375 54.840 -0.010 0.000 0.914 409 L CB 0.342 42.413 42.059 0.020 0.000 1.193 409 L HN 0.505 nan 8.230 nan 0.000 0.502 410 G N -0.036 108.758 108.800 -0.011 0.000 2.168 410 G HA2 -0.188 3.773 3.960 0.000 0.000 0.197 410 G HA3 -0.188 3.773 3.960 0.000 0.000 0.197 410 G C 0.321 175.212 174.900 -0.016 0.000 0.997 410 G CA -0.153 44.939 45.100 -0.013 0.000 0.658 410 G HN 0.393 nan 8.290 nan 0.000 0.513 411 A N 0.039 122.848 122.820 -0.017 0.000 2.371 411 A HA 0.618 4.938 4.320 0.000 0.000 0.257 411 A C 0.475 178.031 177.584 -0.046 0.000 1.089 411 A CA 0.091 52.110 52.037 -0.030 0.000 0.794 411 A CB 0.443 19.424 19.000 -0.032 0.000 1.029 411 A HN 0.480 nan 8.150 nan 0.000 0.488 412 N N 1.950 120.620 118.700 -0.049 0.000 2.817 412 N HA 0.352 5.093 4.740 0.000 0.000 0.234 412 N C -1.361 174.101 175.510 -0.080 0.000 1.066 412 N CA -0.029 52.988 53.050 -0.054 0.000 0.926 412 N CB 0.286 38.751 38.487 -0.037 0.000 1.176 412 N HN 0.665 nan 8.380 nan 0.000 0.506 413 I N 0.930 121.428 120.570 -0.121 0.000 2.647 413 I HA 0.435 4.605 4.170 0.000 0.000 0.295 413 I C -1.214 174.774 176.117 -0.214 0.000 1.078 413 I CA -0.680 60.500 61.300 -0.200 0.000 1.048 413 I CB 2.119 39.931 38.000 -0.313 0.000 1.239 413 I HN 0.339 nan 8.210 nan 0.000 0.421 414 E N 7.274 127.348 120.200 -0.210 0.000 2.290 414 E HA 0.317 4.667 4.350 0.000 0.000 0.274 414 E C -1.462 175.093 176.600 -0.076 0.000 0.889 414 E CA -0.909 55.411 56.400 -0.133 0.000 0.760 414 E CB 1.818 31.486 29.700 -0.054 0.000 1.206 414 E HN 0.623 nan 8.360 nan 0.000 0.419 415 R N 4.070 124.564 120.500 -0.010 0.000 2.210 415 R HA 0.239 4.579 4.340 0.000 0.000 0.338 415 R C -0.504 175.880 176.300 0.140 0.000 1.062 415 R CA -0.350 55.877 56.100 0.212 0.000 0.902 415 R CB 0.585 31.076 30.300 0.318 0.000 1.050 415 R HN 0.362 nan 8.270 nan 0.000 0.461 416 V N 3.079 123.077 119.914 0.140 0.000 2.318 416 V HA 0.284 4.405 4.120 0.000 0.000 0.271 416 V C 0.586 176.727 176.094 0.079 0.000 1.030 416 V CA -0.783 61.568 62.300 0.086 0.000 0.844 416 V CB 1.350 33.214 31.823 0.067 0.000 1.015 416 V HN 0.680 nan 8.190 nan 0.000 0.460 417 K N 4.416 124.855 120.400 0.064 0.000 2.286 417 K HA 0.039 4.360 4.320 0.000 0.000 0.203 417 K C 1.468 178.092 176.600 0.039 0.000 1.045 417 K CA 1.085 57.402 56.287 0.051 0.000 0.935 417 K CB -0.819 31.705 32.500 0.040 0.000 0.737 417 K HN 1.028 nan 8.250 nan 0.000 0.460 418 G N 2.114 110.936 108.800 0.037 0.000 2.464 418 G HA2 -0.068 3.892 3.960 0.000 0.000 0.231 418 G HA3 -0.068 3.892 3.960 0.000 0.000 0.231 418 G C -0.060 174.858 174.900 0.030 0.000 1.267 418 G CA -0.156 44.962 45.100 0.030 0.000 0.863 418 G HN 0.458 nan 8.290 nan 0.000 0.559 419 E N 0.000 120.214 120.200 0.023 0.000 2.725 419 E HA 0.000 4.350 4.350 0.000 0.000 0.291 419 E CA 0.000 56.413 56.400 0.022 0.000 0.976 419 E CB 0.000 29.710 29.700 0.016 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440