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_B 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 0.000 176.326 176.300 0.044 0.000 1.140 1 M CA 0.000 55.321 55.300 0.035 0.000 0.988 1 M CB 0.000 32.627 32.600 0.045 0.000 1.302 2 D N 3.754 124.180 120.400 0.044 0.000 2.443 2 D HA 0.369 5.009 4.640 -0.000 0.000 0.234 2 D C -0.333 175.973 176.300 0.010 0.000 1.172 2 D CA 0.901 54.923 54.000 0.037 0.000 0.878 2 D CB 0.719 41.537 40.800 0.029 0.000 1.204 2 D HN 0.528 nan 8.370 nan 0.000 0.453 3 K N 0.498 120.922 120.400 0.039 0.000 2.495 3 K HA 0.482 4.802 4.320 -0.000 0.000 0.268 3 K C -0.903 175.825 176.600 0.214 0.000 1.008 3 K CA -0.778 55.531 56.287 0.038 0.000 0.882 3 K CB 1.947 34.484 32.500 0.061 0.000 1.443 3 K HN 0.292 nan 8.250 nan 0.000 0.447 4 F N 1.164 121.115 119.950 0.002 0.000 2.467 4 F HA 0.409 4.936 4.527 -0.000 0.000 0.336 4 F C 0.176 175.972 175.800 -0.005 0.000 1.123 4 F CA -1.036 56.962 58.000 -0.004 0.000 0.964 4 F CB 1.987 40.977 39.000 -0.017 0.000 1.136 4 F HN 0.230 nan 8.300 nan 0.000 0.447 5 R N 3.985 124.572 120.500 0.146 0.000 2.215 5 R HA 0.550 4.890 4.340 -0.000 0.000 0.336 5 R C -1.755 174.549 176.300 0.007 0.000 0.996 5 R CA -0.346 55.791 56.100 0.061 0.000 0.847 5 R CB 1.115 31.438 30.300 0.039 0.000 1.127 5 R HN 0.465 nan 8.270 nan 0.000 0.465 6 V N 4.698 124.620 119.914 0.013 0.000 2.459 6 V HA 0.322 4.441 4.120 -0.000 0.000 0.295 6 V C -0.412 175.675 176.094 -0.012 0.000 1.029 6 V CA -0.869 61.421 62.300 -0.016 0.000 0.874 6 V CB 1.830 33.649 31.823 -0.007 0.000 0.985 6 V HN 0.704 nan 8.190 nan 0.000 0.438 7 Q N 2.961 122.747 119.800 -0.022 0.000 2.325 7 Q HA 0.660 5.000 4.340 -0.000 0.000 0.262 7 Q C 0.079 176.068 176.000 -0.018 0.000 0.968 7 Q CA -0.190 55.603 55.803 -0.017 0.000 0.877 7 Q CB 2.537 31.264 28.738 -0.018 0.000 1.253 7 Q HN 0.956 nan 8.270 nan 0.000 0.448 8 G N 2.635 111.427 108.800 -0.014 0.000 2.818 8 G HA2 0.718 4.678 3.960 -0.000 0.000 0.286 8 G HA3 0.718 4.678 3.960 -0.000 0.000 0.286 8 G C -2.847 172.046 174.900 -0.011 0.000 1.364 8 G CA -1.243 43.848 45.100 -0.014 0.000 0.938 8 G HN 0.304 nan 8.290 nan 0.000 0.490 9 P HA 0.374 nan 4.420 nan 0.000 0.284 9 P C -0.734 176.559 177.300 -0.012 0.000 1.258 9 P CA -0.115 62.978 63.100 -0.012 0.000 0.824 9 P CB 1.638 33.331 31.700 -0.011 0.000 1.038 10 T N -0.900 113.646 114.554 -0.012 0.000 2.991 10 T HA 0.377 4.727 4.350 -0.000 0.000 0.303 10 T C -0.289 174.405 174.700 -0.009 0.000 1.015 10 T CA -1.031 61.062 62.100 -0.011 0.000 1.007 10 T CB 1.235 70.095 68.868 -0.014 0.000 1.034 10 T HN 0.446 nan 8.240 nan 0.000 0.446 11 R N 3.621 124.117 120.500 -0.007 0.000 2.370 11 R HA 0.406 4.746 4.340 -0.000 0.000 0.309 11 R C -0.570 175.728 176.300 -0.002 0.000 1.059 11 R CA -0.533 55.564 56.100 -0.005 0.000 0.981 11 R CB 0.134 30.432 30.300 -0.004 0.000 0.972 11 R HN 0.706 nan 8.270 nan 0.000 0.437 12 L N 6.287 127.512 121.223 0.004 0.000 2.281 12 L HA 0.278 4.617 4.340 -0.000 0.000 0.285 12 L C 0.007 176.885 176.870 0.013 0.000 1.074 12 L CA -0.122 54.727 54.840 0.016 0.000 0.817 12 L CB 0.960 43.041 42.059 0.037 0.000 1.168 12 L HN 0.784 nan 8.230 nan 0.000 0.434 13 Q N 3.040 122.843 119.800 0.005 0.000 2.578 13 Q HA 0.766 5.106 4.340 -0.000 0.000 0.284 13 Q C -0.480 175.510 176.000 -0.017 0.000 0.960 13 Q CA -0.371 55.429 55.803 -0.004 0.000 0.809 13 Q CB 2.670 31.402 28.738 -0.011 0.000 1.462 13 Q HN 0.666 nan 8.270 nan 0.000 0.392 14 G N 0.944 109.729 108.800 -0.026 0.000 2.204 14 G HA2 0.011 3.971 3.960 -0.000 0.000 0.153 14 G HA3 0.011 3.971 3.960 -0.000 0.000 0.153 14 G C -1.471 173.397 174.900 -0.053 0.000 1.295 14 G CA -0.241 44.835 45.100 -0.040 0.000 1.257 14 G HN 0.693 nan 8.290 nan 0.000 0.495 15 E N -1.499 118.657 120.200 -0.073 0.000 2.393 15 E HA 0.654 5.004 4.350 -0.000 0.000 0.273 15 E C -1.532 174.981 176.600 -0.145 0.000 0.918 15 E CA -0.734 55.612 56.400 -0.090 0.000 0.773 15 E CB 3.221 32.873 29.700 -0.080 0.000 1.275 15 E HN 0.954 nan 8.360 nan 0.000 0.451 16 V N 0.860 120.669 119.914 -0.175 0.000 3.048 16 V HA 0.435 4.555 4.120 -0.000 0.000 0.303 16 V C -1.535 174.454 176.094 -0.176 0.000 1.214 16 V CA -0.265 61.867 62.300 -0.281 0.000 0.984 16 V CB 2.491 33.925 31.823 -0.650 0.000 1.054 16 V HN 0.711 nan 8.190 nan 0.000 0.430 17 T N 7.413 121.881 114.554 -0.143 0.000 2.756 17 T HA 0.532 4.881 4.350 -0.000 0.000 0.290 17 T C -0.167 174.509 174.700 -0.039 0.000 0.985 17 T CA -0.274 61.789 62.100 -0.062 0.000 0.955 17 T CB 0.644 69.489 68.868 -0.038 0.000 0.930 17 T HN 0.484 nan 8.240 nan 0.000 0.451 18 I N 3.233 123.806 120.570 0.005 0.000 2.618 18 I HA 0.129 4.299 4.170 -0.000 0.000 0.284 18 I C 1.168 177.308 176.117 0.039 0.000 1.146 18 I CA 0.145 61.475 61.300 0.051 0.000 1.425 18 I CB 0.263 38.305 38.000 0.071 0.000 1.383 18 I HN 0.568 nan 8.210 nan 0.000 0.562 19 S N 4.051 119.783 115.700 0.053 0.000 2.681 19 S HA 0.501 4.971 4.470 -0.000 0.000 0.270 19 S C 0.658 175.263 174.600 0.009 0.000 1.209 19 S CA -0.583 57.635 58.200 0.029 0.000 0.988 19 S CB 1.198 64.423 63.200 0.041 0.000 1.006 19 S HN 0.849 nan 8.310 nan 0.000 0.558 20 G N 0.155 108.950 108.800 -0.008 0.000 2.554 20 G HA2 0.433 4.393 3.960 -0.000 0.000 0.238 20 G HA3 0.433 4.393 3.960 -0.000 0.000 0.238 20 G C -0.048 174.838 174.900 -0.023 0.000 1.259 20 G CA -0.338 44.749 45.100 -0.022 0.000 0.843 20 G HN 0.899 nan 8.290 nan 0.000 0.582 21 A N 1.417 124.222 122.820 -0.025 0.000 2.491 21 A HA 0.253 4.572 4.320 -0.000 0.000 0.261 21 A C 1.645 179.213 177.584 -0.027 0.000 1.101 21 A CA 0.340 52.360 52.037 -0.029 0.000 0.772 21 A CB 0.250 19.235 19.000 -0.025 0.000 1.043 21 A HN 0.929 nan 8.150 nan 0.000 0.501 22 K N 2.619 122.999 120.400 -0.034 0.000 2.032 22 K HA -0.182 4.137 4.320 -0.000 0.000 0.209 22 K C 0.505 177.125 176.600 0.033 0.000 1.048 22 K CA 1.986 58.265 56.287 -0.013 0.000 0.927 22 K CB -0.133 32.344 32.500 -0.040 0.000 0.712 22 K HN 0.715 nan 8.250 nan 0.000 0.441 23 N N 0.076 118.798 118.700 0.037 0.000 2.501 23 N HA 0.015 4.754 4.740 -0.000 0.000 0.195 23 N C 0.490 176.029 175.510 0.049 0.000 1.213 23 N CA 0.734 53.842 53.050 0.096 0.000 0.864 23 N CB 0.861 39.408 38.487 0.101 0.000 0.999 23 N HN 0.378 nan 8.380 nan 0.000 0.454 24 A N -0.214 122.605 122.820 -0.002 0.000 2.026 24 A HA 0.462 4.782 4.320 -0.000 0.000 0.198 24 A C 2.088 179.620 177.584 -0.087 0.000 1.390 24 A CA 0.631 52.637 52.037 -0.051 0.000 0.915 24 A CB -0.326 18.656 19.000 -0.030 0.000 0.974 24 A HN 0.179 nan 8.150 nan 0.000 0.477 25 A N 0.442 123.228 122.820 -0.057 0.000 1.902 25 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 25 A C 2.104 179.647 177.584 -0.069 0.000 1.181 25 A CA 1.512 53.496 52.037 -0.088 0.000 0.623 25 A CB -0.696 18.268 19.000 -0.060 0.000 0.818 25 A HN 0.436 nan 8.150 nan 0.000 0.443 26 L N -0.032 121.217 121.223 0.044 0.000 1.976 26 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 26 L C -0.180 176.805 176.870 0.192 0.000 1.071 26 L CA 1.887 56.852 54.840 0.209 0.000 0.746 26 L CB -1.443 40.877 42.059 0.435 0.000 0.890 26 L HN 0.307 nan 8.230 nan 0.000 0.432 27 P HA -0.168 nan 4.420 nan 0.000 0.218 27 P C 1.807 178.940 177.300 -0.278 0.000 1.149 27 P CA 1.615 64.360 63.100 -0.591 0.000 0.817 27 P CB 0.048 31.135 31.700 -1.023 0.000 0.785 28 I N -0.672 119.731 120.570 -0.279 0.000 2.286 28 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 28 I C 2.660 178.548 176.117 -0.381 0.000 1.104 28 I CA 0.992 62.023 61.300 -0.450 0.000 1.397 28 I CB -0.558 37.020 38.000 -0.703 0.000 1.072 28 I HN -0.149 nan 8.210 nan 0.000 0.417 29 L N -0.289 120.777 121.223 -0.261 0.000 2.042 29 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 29 L C 2.457 179.227 176.870 -0.167 0.000 1.076 29 L CA 1.670 56.369 54.840 -0.236 0.000 0.749 29 L CB -0.510 41.386 42.059 -0.270 0.000 0.893 29 L HN 0.151 nan 8.230 nan 0.000 0.432 30 F N -0.531 119.412 119.950 -0.012 0.000 2.259 30 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 30 F C 2.552 178.392 175.800 0.066 0.000 1.088 30 F CA 0.882 58.919 58.000 0.063 0.000 1.358 30 F CB -0.456 38.621 39.000 0.128 0.000 1.040 30 F HN -0.001 nan 8.300 nan 0.000 0.505 31 A N 0.092 123.030 122.820 0.198 0.000 2.019 31 A HA -0.085 4.234 4.320 -0.000 0.000 0.219 31 A C 2.329 180.084 177.584 0.285 0.000 1.164 31 A CA 1.431 53.596 52.037 0.215 0.000 0.644 31 A CB -1.124 18.027 19.000 0.251 0.000 0.805 31 A HN 0.295 nan 8.150 nan 0.000 0.449 32 A N -0.321 122.668 122.820 0.282 0.000 2.125 32 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 32 A C 1.950 179.647 177.584 0.189 0.000 1.156 32 A CA 1.179 53.380 52.037 0.273 0.000 0.671 32 A CB -0.570 18.535 19.000 0.175 0.000 0.794 32 A HN 0.498 nan 8.150 nan 0.000 0.459 33 L N -0.803 120.537 121.223 0.194 0.000 2.353 33 L HA -0.146 4.193 4.340 -0.000 0.000 0.220 33 L C 2.073 179.081 176.870 0.231 0.000 1.133 33 L CA 0.666 55.644 54.840 0.231 0.000 0.798 33 L CB -0.312 41.916 42.059 0.283 0.000 0.922 33 L HN 0.428 nan 8.230 nan 0.000 0.445 34 L N -0.632 120.685 121.223 0.157 0.000 2.341 34 L HA 0.088 4.428 4.340 -0.000 0.000 0.214 34 L C 1.383 178.270 176.870 0.029 0.000 1.115 34 L CA -0.319 54.564 54.840 0.071 0.000 0.820 34 L CB -0.355 41.721 42.059 0.028 0.000 0.944 34 L HN 0.115 nan 8.230 nan 0.000 0.452 35 A N 0.426 123.280 122.820 0.058 0.000 2.454 35 A HA 0.101 4.421 4.320 -0.000 0.000 0.260 35 A C 0.988 178.604 177.584 0.053 0.000 1.106 35 A CA -0.177 51.879 52.037 0.032 0.000 0.780 35 A CB 0.210 19.242 19.000 0.054 0.000 1.044 35 A HN 0.309 nan 8.150 nan 0.000 0.498 36 E N 0.996 121.210 120.200 0.023 0.000 2.400 36 E HA -0.001 4.349 4.350 -0.000 0.000 0.195 36 E C -0.118 176.510 176.600 0.046 0.000 1.012 36 E CA 0.316 56.738 56.400 0.036 0.000 0.875 36 E CB 0.346 30.050 29.700 0.006 0.000 0.859 36 E HN 0.685 nan 8.360 nan 0.000 0.498 37 E N 0.957 121.181 120.200 0.039 0.000 2.222 37 E HA 0.329 4.678 4.350 -0.000 0.000 0.267 37 E C -2.493 174.148 176.600 0.070 0.000 0.963 37 E CA -2.741 53.688 56.400 0.047 0.000 0.837 37 E CB 0.825 30.544 29.700 0.033 0.000 1.183 37 E HN -0.142 nan 8.360 nan 0.000 0.403 38 P HA 0.043 nan 4.420 nan 0.000 0.266 38 P C -0.678 176.699 177.300 0.128 0.000 1.195 38 P CA 0.069 63.237 63.100 0.114 0.000 0.768 38 P CB 0.541 32.314 31.700 0.121 0.000 0.838 39 V N 2.809 122.812 119.914 0.149 0.000 2.680 39 V HA 0.340 4.460 4.120 -0.000 0.000 0.309 39 V C -0.080 176.079 176.094 0.107 0.000 1.052 39 V CA -0.485 61.907 62.300 0.154 0.000 0.908 39 V CB 1.940 33.890 31.823 0.212 0.000 1.001 39 V HN 0.503 nan 8.190 nan 0.000 0.431 40 E N 4.367 124.594 120.200 0.044 0.000 2.185 40 E HA 0.519 4.869 4.350 -0.000 0.000 0.261 40 E C -1.472 175.016 176.600 -0.186 0.000 0.879 40 E CA -0.540 55.729 56.400 -0.219 0.000 0.756 40 E CB 1.433 31.000 29.700 -0.222 0.000 1.152 40 E HN 0.618 nan 8.360 nan 0.000 0.416 41 I N 4.653 125.047 120.570 -0.294 0.000 2.328 41 I HA 0.174 4.344 4.170 -0.000 0.000 0.287 41 I C 0.250 176.196 176.117 -0.285 0.000 1.012 41 I CA -0.516 60.654 61.300 -0.216 0.000 1.195 41 I CB 1.379 39.232 38.000 -0.246 0.000 1.350 41 I HN 0.387 nan 8.210 nan 0.000 0.464 42 Q N 3.980 123.656 119.800 -0.208 0.000 2.212 42 Q HA 0.273 4.612 4.340 -0.000 0.000 0.238 42 Q C 0.390 176.301 176.000 -0.149 0.000 0.955 42 Q CA -0.699 54.981 55.803 -0.205 0.000 0.906 42 Q CB 0.696 29.337 28.738 -0.162 0.000 1.215 42 Q HN 0.582 nan 8.270 nan 0.000 0.478 43 N N -0.626 117.999 118.700 -0.125 0.000 2.735 43 N HA -0.167 4.572 4.740 -0.000 0.000 0.248 43 N C -1.647 173.816 175.510 -0.078 0.000 1.083 43 N CA 0.253 53.252 53.050 -0.084 0.000 0.703 43 N CB -0.927 37.514 38.487 -0.076 0.000 1.005 43 N HN 0.330 nan 8.380 nan 0.000 0.550 44 V N 1.774 121.630 119.914 -0.096 0.000 2.432 44 V HA 0.359 4.479 4.120 -0.000 0.000 0.271 44 V C -1.378 174.688 176.094 -0.046 0.000 1.046 44 V CA -1.047 61.204 62.300 -0.082 0.000 0.945 44 V CB 1.076 32.833 31.823 -0.111 0.000 0.992 44 V HN 0.217 nan 8.190 nan 0.000 0.471 45 P HA 0.148 nan 4.420 nan 0.000 0.272 45 P C -0.756 176.546 177.300 0.003 0.000 1.223 45 P CA -0.444 62.653 63.100 -0.005 0.000 0.784 45 P CB 0.870 32.568 31.700 -0.004 0.000 0.923 46 K N 2.608 123.021 120.400 0.022 0.000 2.206 46 K HA 0.385 4.705 4.320 -0.000 0.000 0.268 46 K C -0.172 176.453 176.600 0.041 0.000 1.111 46 K CA -0.195 56.110 56.287 0.030 0.000 0.955 46 K CB -0.108 32.415 32.500 0.039 0.000 1.406 46 K HN 0.420 nan 8.250 nan 0.000 0.427 47 L N 1.126 122.368 121.223 0.033 0.000 2.323 47 L HA 0.361 4.701 4.340 -0.000 0.000 0.265 47 L C 1.396 178.289 176.870 0.038 0.000 1.012 47 L CA -1.074 53.791 54.840 0.042 0.000 0.820 47 L CB 1.281 43.359 42.059 0.031 0.000 1.334 47 L HN 0.279 nan 8.230 nan 0.000 0.427 48 K N 0.690 121.118 120.400 0.046 0.000 2.103 48 K HA -0.162 4.157 4.320 -0.000 0.000 0.207 48 K C 1.056 177.676 176.600 0.033 0.000 1.048 48 K CA 1.681 57.991 56.287 0.038 0.000 0.930 48 K CB 0.086 32.613 32.500 0.046 0.000 0.716 48 K HN 0.611 nan 8.250 nan 0.000 0.444 49 D N 0.580 121.005 120.400 0.042 0.000 2.219 49 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 49 D C 1.837 178.165 176.300 0.046 0.000 0.970 49 D CA 0.508 54.539 54.000 0.052 0.000 0.851 49 D CB 0.077 40.917 40.800 0.068 0.000 0.943 49 D HN 0.155 nan 8.370 nan 0.000 0.488 50 I N 1.378 121.965 120.570 0.027 0.000 2.353 50 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 50 I C 1.703 177.815 176.117 -0.009 0.000 1.119 50 I CA 1.031 62.332 61.300 0.001 0.000 1.417 50 I CB -0.749 37.248 38.000 -0.006 0.000 1.078 50 I HN -0.062 nan 8.210 nan 0.000 0.421 51 D N 0.692 121.095 120.400 0.005 0.000 2.097 51 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 51 D C 2.140 178.439 176.300 -0.002 0.000 0.989 51 D CA 1.654 55.655 54.000 0.003 0.000 0.827 51 D CB -0.314 40.492 40.800 0.009 0.000 0.966 51 D HN 0.240 nan 8.370 nan 0.000 0.456 52 T N 0.504 115.064 114.554 0.009 0.000 2.720 52 T HA -0.116 4.233 4.350 -0.000 0.000 0.268 52 T C 2.022 176.730 174.700 0.015 0.000 1.037 52 T CA 1.664 63.773 62.100 0.016 0.000 1.144 52 T CB -0.467 68.419 68.868 0.029 0.000 0.864 52 T HN 0.151 nan 8.240 nan 0.000 0.444 53 T N 2.091 116.644 114.554 -0.002 0.000 2.746 53 T HA 0.006 4.356 4.350 -0.000 0.000 0.267 53 T C 2.051 176.664 174.700 -0.145 0.000 1.039 53 T CA 1.113 63.151 62.100 -0.102 0.000 1.142 53 T CB -0.345 68.407 68.868 -0.193 0.000 0.866 53 T HN 0.324 nan 8.240 nan 0.000 0.444 54 M N 0.582 120.127 119.600 -0.092 0.000 2.159 54 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 54 M C 2.280 178.555 176.300 -0.041 0.000 1.063 54 M CA 1.577 56.836 55.300 -0.069 0.000 1.110 54 M CB -0.331 32.249 32.600 -0.034 0.000 1.374 54 M HN 0.151 nan 8.290 nan 0.000 0.411 55 K N 0.421 120.807 120.400 -0.023 0.000 2.057 55 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 55 K C 1.962 178.560 176.600 -0.004 0.000 1.049 55 K CA 1.200 57.481 56.287 -0.009 0.000 0.931 55 K CB -0.361 32.138 32.500 -0.001 0.000 0.714 55 K HN 0.334 nan 8.250 nan 0.000 0.440 56 L N 1.285 122.510 121.223 0.004 0.000 2.005 56 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 56 L C 2.182 179.058 176.870 0.010 0.000 1.072 56 L CA 1.192 56.053 54.840 0.034 0.000 0.744 56 L CB -0.176 41.946 42.059 0.104 0.000 0.895 56 L HN 0.195 nan 8.230 nan 0.000 0.433 57 L N -0.659 120.539 121.223 -0.041 0.000 2.012 57 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 57 L C 2.535 179.388 176.870 -0.029 0.000 1.073 57 L CA 2.018 56.831 54.840 -0.046 0.000 0.748 57 L CB -1.015 40.986 42.059 -0.096 0.000 0.891 57 L HN 0.315 nan 8.230 nan 0.000 0.431 58 T N -1.217 113.321 114.554 -0.027 0.000 2.720 58 T HA -0.267 4.083 4.350 -0.000 0.000 0.268 58 T C 1.868 176.550 174.700 -0.031 0.000 1.037 58 T CA 1.280 63.367 62.100 -0.022 0.000 1.144 58 T CB -0.214 68.645 68.868 -0.014 0.000 0.864 58 T HN 0.321 nan 8.240 nan 0.000 0.444 59 Q N 0.509 120.293 119.800 -0.026 0.000 2.364 59 Q HA -0.000 4.340 4.340 -0.000 0.000 0.209 59 Q C 1.836 177.799 176.000 -0.063 0.000 0.977 59 Q CA 0.912 56.697 55.803 -0.031 0.000 0.885 59 Q CB -0.235 28.498 28.738 -0.007 0.000 0.941 59 Q HN 0.521 nan 8.270 nan 0.000 0.464 60 L N -1.114 120.067 121.223 -0.071 0.000 2.592 60 L HA 0.167 4.507 4.340 -0.000 0.000 0.227 60 L C 1.072 177.827 176.870 -0.191 0.000 1.127 60 L CA 0.567 55.323 54.840 -0.140 0.000 0.884 60 L CB 0.209 42.216 42.059 -0.087 0.000 1.065 60 L HN 0.373 nan 8.230 nan 0.000 0.457 61 G N 0.247 108.976 108.800 -0.119 0.000 2.141 61 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.195 61 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.195 61 G C 0.108 174.975 174.900 -0.054 0.000 1.012 61 G CA -0.070 44.967 45.100 -0.104 0.000 0.696 61 G HN 0.210 nan 8.290 nan 0.000 0.508 62 T N 0.613 115.148 114.554 -0.032 0.000 2.907 62 T HA 0.550 4.899 4.350 -0.000 0.000 0.284 62 T C 0.277 174.983 174.700 0.009 0.000 1.004 62 T CA -0.284 61.817 62.100 0.003 0.000 1.063 62 T CB 1.571 70.445 68.868 0.010 0.000 0.992 62 T HN 0.272 nan 8.240 nan 0.000 0.483 63 K N 2.198 122.616 120.400 0.029 0.000 2.264 63 K HA 0.580 4.900 4.320 -0.000 0.000 0.277 63 K C -1.015 175.616 176.600 0.053 0.000 1.067 63 K CA -0.493 55.814 56.287 0.034 0.000 0.900 63 K CB 0.943 33.466 32.500 0.038 0.000 1.124 63 K HN 0.260 nan 8.250 nan 0.000 0.469 64 V N 3.062 123.003 119.914 0.046 0.000 2.823 64 V HA 0.461 4.581 4.120 -0.000 0.000 0.312 64 V C -0.453 175.689 176.094 0.080 0.000 1.072 64 V CA -0.836 61.502 62.300 0.064 0.000 0.937 64 V CB 1.896 33.734 31.823 0.026 0.000 1.013 64 V HN 0.906 nan 8.190 nan 0.000 0.430 65 E N 3.698 123.981 120.200 0.139 0.000 2.401 65 E HA 0.761 5.111 4.350 -0.000 0.000 0.280 65 E C -1.372 175.394 176.600 0.277 0.000 1.039 65 E CA -1.212 55.282 56.400 0.157 0.000 0.814 65 E CB 2.995 32.764 29.700 0.115 0.000 1.275 65 E HN 0.771 nan 8.360 nan 0.000 0.448 66 R N -0.162 120.492 120.500 0.256 0.000 2.781 66 R HA 0.392 4.731 4.340 -0.000 0.000 0.268 66 R C -0.680 175.795 176.300 0.292 0.000 1.047 66 R CA -0.318 55.967 56.100 0.308 0.000 0.925 66 R CB 0.452 30.825 30.300 0.123 0.000 1.246 66 R HN 0.526 nan 8.270 nan 0.000 0.456 67 D N 0.260 120.825 120.400 0.275 0.000 2.256 67 D HA 0.086 4.726 4.640 -0.000 0.000 0.279 67 D C 1.399 177.766 176.300 0.110 0.000 1.209 67 D CA 0.925 55.049 54.000 0.206 0.000 0.946 67 D CB -1.000 39.933 40.800 0.223 0.000 0.914 67 D HN 0.615 nan 8.370 nan 0.000 0.278 68 G N -1.085 107.759 108.800 0.073 0.000 2.744 68 G HA2 0.180 4.140 3.960 -0.000 0.000 0.211 68 G HA3 0.180 4.140 3.960 -0.000 0.000 0.211 68 G C 0.463 175.295 174.900 -0.113 0.000 1.146 68 G CA 0.194 45.288 45.100 -0.009 0.000 0.787 68 G HN 0.359 nan 8.290 nan 0.000 0.534 69 S N -1.173 114.380 115.700 -0.245 0.000 2.704 69 S HA 0.663 5.133 4.470 -0.000 0.000 0.305 69 S C -0.867 173.392 174.600 -0.568 0.000 1.107 69 S CA -0.495 57.366 58.200 -0.566 0.000 0.993 69 S CB 2.432 64.987 63.200 -1.076 0.000 1.110 69 S HN -0.057 nan 8.310 nan 0.000 0.534 70 V N 1.854 121.434 119.914 -0.557 0.000 2.407 70 V HA 0.346 4.465 4.120 -0.000 0.000 0.291 70 V C -1.053 174.853 176.094 -0.314 0.000 1.018 70 V CA -0.615 61.529 62.300 -0.261 0.000 0.842 70 V CB 1.100 32.833 31.823 -0.151 0.000 0.996 70 V HN 0.779 nan 8.190 nan 0.000 0.426 71 W N 5.523 126.824 121.300 0.001 0.000 2.338 71 W HA 0.567 5.227 4.660 -0.000 0.000 0.307 71 W C -0.707 175.819 176.519 0.011 0.000 1.167 71 W CA -0.567 56.786 57.345 0.014 0.000 1.208 71 W CB 1.593 31.061 29.460 0.014 0.000 1.228 71 W HN 0.299 nan 8.180 nan 0.000 0.499 72 I N 3.168 123.847 120.570 0.180 0.000 2.509 72 I HA 0.144 4.314 4.170 -0.000 0.000 0.293 72 I C -0.517 175.680 176.117 0.133 0.000 1.020 72 I CA -0.585 60.789 61.300 0.124 0.000 1.088 72 I CB 1.899 39.944 38.000 0.074 0.000 1.267 72 I HN 0.288 nan 8.210 nan 0.000 0.430 73 D N 5.053 125.517 120.400 0.108 0.000 2.378 73 D HA 0.475 5.114 4.640 -0.000 0.000 0.265 73 D C 0.081 176.433 176.300 0.087 0.000 1.229 73 D CA -0.280 53.778 54.000 0.098 0.000 0.914 73 D CB 1.369 42.220 40.800 0.085 0.000 1.140 73 D HN 0.589 nan 8.370 nan 0.000 0.516 74 A N 2.200 125.083 122.820 0.104 0.000 2.532 74 A HA 0.163 4.483 4.320 -0.000 0.000 0.273 74 A C 1.749 179.425 177.584 0.153 0.000 1.342 74 A CA 0.311 52.422 52.037 0.123 0.000 0.929 74 A CB -0.336 18.756 19.000 0.153 0.000 1.051 74 A HN 0.436 nan 8.150 nan 0.000 0.521 75 S N -0.355 115.416 115.700 0.119 0.000 2.419 75 S HA -0.127 4.342 4.470 -0.000 0.000 0.233 75 S C 0.959 175.642 174.600 0.138 0.000 1.016 75 S CA 1.411 59.683 58.200 0.121 0.000 0.974 75 S CB -0.465 62.785 63.200 0.084 0.000 0.786 75 S HN 0.684 nan 8.310 nan 0.000 0.492 76 N N 0.906 119.669 118.700 0.106 0.000 2.535 76 N HA 0.288 5.028 4.740 -0.000 0.000 0.294 76 N C -1.085 174.442 175.510 0.028 0.000 1.408 76 N CA -0.272 52.826 53.050 0.081 0.000 0.927 76 N CB 0.653 39.166 38.487 0.043 0.000 1.276 76 N HN 0.098 nan 8.380 nan 0.000 0.505 77 V N 2.386 122.325 119.914 0.042 0.000 2.529 77 V HA 0.007 4.127 4.120 -0.000 0.000 0.292 77 V C 1.065 176.953 176.094 -0.343 0.000 1.028 77 V CA 0.465 62.657 62.300 -0.181 0.000 1.074 77 V CB 0.731 32.395 31.823 -0.265 0.000 0.958 77 V HN 0.616 nan 8.190 nan 0.000 0.481 78 N N 2.331 120.753 118.700 -0.462 0.000 2.143 78 N HA 0.120 4.860 4.740 -0.000 0.000 0.222 78 N C 0.158 175.132 175.510 -0.895 0.000 1.264 78 N CA -0.479 52.278 53.050 -0.489 0.000 0.897 78 N CB 0.511 38.873 38.487 -0.207 0.000 1.092 78 N HN 0.588 nan 8.380 nan 0.000 0.516 79 N N 0.204 118.252 118.700 -1.087 0.000 2.272 79 N HA 0.344 5.083 4.740 -0.000 0.000 0.305 79 N C -1.618 173.173 175.510 -1.198 0.000 1.103 79 N CA -0.716 51.763 53.050 -0.952 0.000 0.791 79 N CB 1.158 39.398 38.487 -0.412 0.000 1.356 79 N HN 0.081 nan 8.380 nan 0.000 0.486 80 F N 0.058 119.956 119.950 -0.085 0.000 2.810 80 F HA 0.413 4.940 4.527 -0.000 0.000 0.353 80 F C 0.383 176.194 175.800 0.017 0.000 1.227 80 F CA -0.550 57.418 58.000 -0.054 0.000 1.210 80 F CB 0.383 39.349 39.000 -0.056 0.000 1.039 80 F HN 0.264 nan 8.300 nan 0.000 0.509 81 S N 1.119 116.881 115.700 0.104 0.000 2.557 81 S HA 0.834 5.304 4.470 -0.000 0.000 0.291 81 S C -0.636 174.055 174.600 0.151 0.000 1.116 81 S CA -0.442 57.843 58.200 0.143 0.000 0.992 81 S CB 1.164 64.420 63.200 0.092 0.000 1.028 81 S HN 0.228 nan 8.310 nan 0.000 0.484 82 A N 6.417 129.358 122.820 0.203 0.000 2.294 82 A HA 0.668 4.988 4.320 -0.000 0.000 0.316 82 A C -2.555 175.170 177.584 0.236 0.000 1.359 82 A CA -1.637 50.505 52.037 0.175 0.000 0.956 82 A CB 0.129 19.210 19.000 0.135 0.000 1.155 82 A HN 0.624 nan 8.150 nan 0.000 0.544 83 P HA -0.005 nan 4.420 nan 0.000 0.275 83 P C 0.353 177.755 177.300 0.170 0.000 1.228 83 P CA -0.076 63.196 63.100 0.287 0.000 0.786 83 P CB 0.690 32.512 31.700 0.204 0.000 0.927 84 Y N 3.055 123.399 120.300 0.074 0.000 2.069 84 Y HA -0.309 4.240 4.550 -0.001 0.000 0.278 84 Y C 1.788 177.678 175.900 -0.017 0.000 1.175 84 Y CA 2.317 60.387 58.100 -0.051 0.000 1.134 84 Y CB -0.781 37.668 38.460 -0.018 0.000 0.965 84 Y HN 0.313 nan 8.280 nan 0.000 0.498 85 D N 0.046 120.489 120.400 0.073 0.000 2.351 85 D HA -0.167 4.473 4.640 -0.000 0.000 0.216 85 D C 2.080 178.324 176.300 -0.093 0.000 0.968 85 D CA 1.175 55.156 54.000 -0.033 0.000 0.899 85 D CB -0.087 40.757 40.800 0.074 0.000 0.907 85 D HN 0.465 nan 8.370 nan 0.000 0.514 86 L N 0.227 121.410 121.223 -0.067 0.000 2.349 86 L HA -0.023 4.316 4.340 -0.000 0.000 0.200 86 L C 2.308 179.127 176.870 -0.085 0.000 1.064 86 L CA 0.263 55.075 54.840 -0.047 0.000 0.821 86 L CB 0.113 42.181 42.059 0.014 0.000 1.027 86 L HN -0.106 nan 8.230 nan 0.000 0.476 87 V N -0.626 119.220 119.914 -0.114 0.000 2.970 87 V HA -0.200 3.919 4.120 -0.000 0.000 0.260 87 V C 2.221 178.187 176.094 -0.213 0.000 1.100 87 V CA 1.741 63.959 62.300 -0.138 0.000 1.122 87 V CB -0.857 30.881 31.823 -0.142 0.000 0.721 87 V HN 0.616 nan 8.190 nan 0.000 0.483 88 K N 1.644 121.844 120.400 -0.333 0.000 2.362 88 K HA -0.088 4.232 4.320 -0.000 0.000 0.200 88 K C 1.739 178.210 176.600 -0.215 0.000 1.046 88 K CA 1.673 57.736 56.287 -0.372 0.000 0.952 88 K CB -0.658 31.458 32.500 -0.640 0.000 0.753 88 K HN 0.658 nan 8.250 nan 0.000 0.466 89 T N -2.209 112.249 114.554 -0.160 0.000 3.022 89 T HA 0.194 4.544 4.350 -0.000 0.000 0.250 89 T C 0.592 175.253 174.700 -0.065 0.000 1.060 89 T CA -0.395 61.645 62.100 -0.101 0.000 1.013 89 T CB 0.062 68.879 68.868 -0.085 0.000 0.982 89 T HN 0.260 nan 8.240 nan 0.000 0.508 90 M N 2.181 121.736 119.600 -0.073 0.000 2.380 90 M HA 0.324 4.803 4.480 -0.000 0.000 0.202 90 M C 0.551 176.792 176.300 -0.097 0.000 0.975 90 M CA -0.606 54.663 55.300 -0.052 0.000 0.971 90 M CB 1.293 33.900 32.600 0.011 0.000 2.685 90 M HN 0.157 nan 8.290 nan 0.000 0.431 91 R N 2.019 122.431 120.500 -0.146 0.000 2.237 91 R HA 0.040 4.379 4.340 -0.000 0.000 0.219 91 R C 1.117 177.225 176.300 -0.320 0.000 1.080 91 R CA 1.532 57.503 56.100 -0.215 0.000 0.995 91 R CB -0.395 29.777 30.300 -0.213 0.000 0.875 91 R HN 0.654 nan 8.270 nan 0.000 0.462 92 A N 1.755 124.390 122.820 -0.309 0.000 2.186 92 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 92 A C 2.078 179.365 177.584 -0.494 0.000 1.159 92 A CA 1.376 53.111 52.037 -0.502 0.000 0.680 92 A CB -0.492 18.379 19.000 -0.215 0.000 0.787 92 A HN 0.610 nan 8.150 nan 0.000 0.467 93 S N -0.375 115.165 115.700 -0.266 0.000 2.547 93 S HA -0.089 4.381 4.470 -0.000 0.000 0.235 93 S C 1.505 175.882 174.600 -0.371 0.000 0.980 93 S CA 0.898 58.958 58.200 -0.234 0.000 0.941 93 S CB -0.534 62.698 63.200 0.054 0.000 0.763 93 S HN 0.478 nan 8.310 nan 0.000 0.532 94 I N 0.904 121.219 120.570 -0.426 0.000 2.614 94 I HA 0.012 4.181 4.170 -0.000 0.000 0.258 94 I C 1.424 177.384 176.117 -0.262 0.000 1.189 94 I CA 0.556 61.642 61.300 -0.356 0.000 1.462 94 I CB -0.597 37.097 38.000 -0.511 0.000 1.092 94 I HN 0.334 nan 8.210 nan 0.000 0.442 95 W N 0.603 121.585 121.300 -0.531 0.000 2.848 95 W HA 0.093 4.753 4.660 -0.001 0.000 0.241 95 W C 2.273 178.586 176.519 -0.344 0.000 1.289 95 W CA 0.713 57.784 57.345 -0.456 0.000 1.396 95 W CB -1.111 27.994 29.460 -0.592 0.000 1.138 95 W HN 0.316 nan 8.180 nan 0.000 0.677 96 A N -0.473 122.278 122.820 -0.115 0.000 2.021 96 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 96 A C 1.939 179.643 177.584 0.199 0.000 1.163 96 A CA 0.653 52.819 52.037 0.215 0.000 0.676 96 A CB -0.565 18.626 19.000 0.320 0.000 0.818 96 A HN 0.122 nan 8.150 nan 0.000 0.453 97 L N 0.405 121.707 121.223 0.131 0.000 1.989 97 L HA -0.098 4.242 4.340 -0.000 0.000 0.211 97 L C 2.424 179.386 176.870 0.154 0.000 1.071 97 L CA 2.420 57.342 54.840 0.137 0.000 0.749 97 L CB -1.079 41.038 42.059 0.097 0.000 0.890 97 L HN 0.320 nan 8.230 nan 0.000 0.431 98 G N -0.747 108.151 108.800 0.163 0.000 2.514 98 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 98 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 98 G C -0.608 174.376 174.900 0.141 0.000 1.198 98 G CA 1.036 46.223 45.100 0.145 0.000 0.780 98 G HN 0.382 nan 8.290 nan 0.000 0.565 99 P HA -0.038 nan 4.420 nan 0.000 0.215 99 P C 2.150 179.592 177.300 0.237 0.000 1.153 99 P CA 0.709 63.918 63.100 0.182 0.000 0.853 99 P CB -0.130 31.706 31.700 0.225 0.000 0.788 100 L N -0.984 120.415 121.223 0.294 0.000 2.012 100 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 100 L C 2.464 179.503 176.870 0.280 0.000 1.073 100 L CA 1.503 56.577 54.840 0.390 0.000 0.748 100 L CB -1.193 41.065 42.059 0.332 0.000 0.891 100 L HN -0.072 nan 8.230 nan 0.000 0.431 101 V N -0.334 119.675 119.914 0.159 0.000 2.548 101 V HA -0.139 3.981 4.120 -0.000 0.000 0.249 101 V C 2.499 178.620 176.094 0.045 0.000 1.055 101 V CA 1.597 63.945 62.300 0.080 0.000 1.065 101 V CB 0.113 31.972 31.823 0.060 0.000 0.681 101 V HN 0.408 nan 8.190 nan 0.000 0.462 102 A N -0.064 122.787 122.820 0.052 0.000 1.968 102 A HA -0.132 4.187 4.320 -0.000 0.000 0.217 102 A C 2.407 179.958 177.584 -0.055 0.000 1.169 102 A CA 1.762 53.800 52.037 0.003 0.000 0.638 102 A CB -0.435 18.572 19.000 0.012 0.000 0.812 102 A HN 0.577 nan 8.150 nan 0.000 0.446 103 R N -2.350 118.103 120.500 -0.078 0.000 2.146 103 R HA 0.172 4.512 4.340 -0.000 0.000 0.206 103 R C 0.501 176.479 176.300 -0.538 0.000 1.049 103 R CA 0.658 56.559 56.100 -0.332 0.000 1.029 103 R CB 0.063 30.084 30.300 -0.466 0.000 0.949 103 R HN 0.441 nan 8.270 nan 0.000 0.471 104 F N -0.500 119.418 119.950 -0.053 0.000 2.661 104 F HA 0.404 4.931 4.527 -0.000 0.000 0.306 104 F C 1.270 176.924 175.800 -0.243 0.000 1.094 104 F CA 0.330 58.228 58.000 -0.171 0.000 1.254 104 F CB 1.390 40.194 39.000 -0.325 0.000 1.040 104 F HN 0.249 nan 8.300 nan 0.000 0.562 105 G N 1.130 109.912 108.800 -0.029 0.000 2.168 105 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.263 105 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.263 105 G C 0.089 174.947 174.900 -0.071 0.000 0.977 105 G CA 0.672 45.741 45.100 -0.051 0.000 0.659 105 G HN 0.538 nan 8.290 nan 0.000 0.533 106 Q N -1.949 117.788 119.800 -0.105 0.000 2.575 106 Q HA 0.665 5.005 4.340 -0.000 0.000 0.290 106 Q C -0.459 175.517 176.000 -0.041 0.000 0.963 106 Q CA -0.533 55.208 55.803 -0.104 0.000 0.783 106 Q CB 1.677 30.301 28.738 -0.190 0.000 1.467 106 Q HN 1.712 nan 8.270 nan 0.000 0.402 107 G N 1.370 110.199 108.800 0.049 0.000 2.429 107 G HA2 0.427 4.387 3.960 -0.000 0.000 0.300 107 G HA3 0.427 4.387 3.960 -0.000 0.000 0.300 107 G C -2.222 172.762 174.900 0.141 0.000 1.598 107 G CA -0.608 44.579 45.100 0.145 0.000 0.863 107 G HN 0.697 nan 8.290 nan 0.000 0.614 108 Q N 0.459 120.366 119.800 0.178 0.000 2.268 108 Q HA 0.660 5.000 4.340 -0.000 0.000 0.266 108 Q C -1.595 174.553 176.000 0.248 0.000 1.006 108 Q CA -0.952 54.970 55.803 0.199 0.000 0.824 108 Q CB 2.143 30.997 28.738 0.192 0.000 1.306 108 Q HN 0.681 nan 8.270 nan 0.000 0.424 109 V N 1.195 121.227 119.914 0.195 0.000 2.604 109 V HA 0.423 4.543 4.120 -0.000 0.000 0.305 109 V C 0.171 176.247 176.094 -0.030 0.000 1.043 109 V CA -0.804 61.563 62.300 0.112 0.000 0.888 109 V CB 1.912 33.751 31.823 0.028 0.000 0.995 109 V HN 0.897 nan 8.190 nan 0.000 0.429 110 S N 4.182 119.741 115.700 -0.235 0.000 2.525 110 S HA 0.200 4.670 4.470 -0.000 0.000 0.285 110 S C -0.076 174.367 174.600 -0.261 0.000 1.283 110 S CA -0.390 57.470 58.200 -0.566 0.000 1.072 110 S CB -0.031 62.859 63.200 -0.516 0.000 0.867 110 S HN 0.644 nan 8.310 nan 0.000 0.492 111 L N 8.095 129.193 121.223 -0.210 0.000 2.562 111 L HA 0.229 4.569 4.340 -0.000 0.000 0.271 111 L C -1.654 175.152 176.870 -0.107 0.000 1.167 111 L CA -1.466 53.302 54.840 -0.120 0.000 0.917 111 L CB 0.476 42.492 42.059 -0.070 0.000 1.187 111 L HN 0.598 nan 8.230 nan 0.000 0.482 112 P HA 0.090 nan 4.420 nan 0.000 0.268 112 P C -0.007 177.246 177.300 -0.078 0.000 1.205 112 P CA -0.226 62.800 63.100 -0.124 0.000 0.771 112 P CB 0.997 32.600 31.700 -0.162 0.000 0.858 113 G N 1.903 110.669 108.800 -0.057 0.000 2.504 113 G HA2 0.468 4.427 3.960 -0.000 0.000 0.257 113 G HA3 0.468 4.427 3.960 -0.000 0.000 0.257 113 G C 0.245 175.124 174.900 -0.036 0.000 1.451 113 G CA -0.404 44.681 45.100 -0.025 0.000 1.059 113 G HN 0.622 nan 8.290 nan 0.000 0.550 114 G N -2.125 106.664 108.800 -0.020 0.000 2.606 114 G HA2 0.406 4.365 3.960 -0.000 0.000 0.252 114 G HA3 0.406 4.365 3.960 -0.000 0.000 0.252 114 G C -0.375 174.506 174.900 -0.031 0.000 1.206 114 G CA 0.092 45.180 45.100 -0.020 0.000 0.861 114 G HN 0.707 nan 8.290 nan 0.000 0.561 115 C N 0.080 119.358 119.300 -0.036 0.000 2.630 115 C HA 0.714 5.174 4.460 -0.000 0.000 0.346 115 C C 1.968 176.930 174.990 -0.048 0.000 1.245 115 C CA 0.263 59.248 59.018 -0.054 0.000 1.804 115 C CB 1.226 28.910 27.740 -0.092 0.000 2.279 115 C HN 1.022 nan 8.230 nan 0.000 0.498 116 A N 1.529 124.316 122.820 -0.055 0.000 1.877 116 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 116 A C 1.702 179.244 177.584 -0.069 0.000 1.186 116 A CA 2.114 54.122 52.037 -0.049 0.000 0.620 116 A CB -0.714 18.254 19.000 -0.053 0.000 0.822 116 A HN 1.071 nan 8.150 nan 0.000 0.443 117 I N -4.179 116.313 120.570 -0.129 0.000 3.564 117 I HA 0.461 4.631 4.170 -0.000 0.000 0.294 117 I C 0.739 176.823 176.117 -0.054 0.000 1.289 117 I CA 0.459 61.673 61.300 -0.143 0.000 1.325 117 I CB -0.336 37.472 38.000 -0.319 0.000 1.039 117 I HN 0.293 nan 8.210 nan 0.000 0.474 118 G N -0.087 108.701 108.800 -0.020 0.000 2.340 118 G HA2 0.411 4.370 3.960 -0.000 0.000 0.298 118 G HA3 0.411 4.370 3.960 -0.000 0.000 0.298 118 G C 0.041 174.970 174.900 0.047 0.000 1.498 118 G CA -0.286 44.858 45.100 0.073 0.000 0.847 118 G HN 0.033 nan 8.290 nan 0.000 0.594 119 A N 0.031 122.880 122.820 0.048 0.000 2.015 119 A HA 0.219 4.538 4.320 -0.000 0.000 0.219 119 A C 1.569 179.169 177.584 0.026 0.000 1.163 119 A CA 1.624 53.675 52.037 0.023 0.000 0.646 119 A CB -0.537 18.472 19.000 0.016 0.000 0.806 119 A HN 1.360 nan 8.150 nan 0.000 0.448 120 R N -0.993 119.550 120.500 0.071 0.000 3.092 120 R HA -0.133 4.207 4.340 -0.000 0.000 0.245 120 R C -2.279 174.030 176.300 0.016 0.000 0.881 120 R CA 0.422 56.570 56.100 0.080 0.000 0.614 120 R CB -1.895 28.451 30.300 0.076 0.000 1.128 120 R HN 0.537 nan 8.270 nan 0.000 0.483 121 P HA 0.002 nan 4.420 nan 0.000 0.271 121 P C 0.192 177.495 177.300 0.005 0.000 1.233 121 P CA -0.183 62.916 63.100 -0.001 0.000 0.789 121 P CB 0.997 32.700 31.700 0.006 0.000 0.951 122 V N 0.892 120.802 119.914 -0.007 0.000 3.070 122 V HA -0.008 4.112 4.120 -0.000 0.000 0.345 122 V C 1.642 177.808 176.094 0.121 0.000 1.403 122 V CA 0.144 62.447 62.300 0.005 0.000 1.155 122 V CB -0.573 31.122 31.823 -0.213 0.000 1.140 122 V HN 0.610 nan 8.190 nan 0.000 0.505 123 D N 0.385 120.842 120.400 0.095 0.000 2.133 123 D HA -0.270 4.370 4.640 -0.000 0.000 0.195 123 D C 1.781 178.180 176.300 0.164 0.000 0.997 123 D CA 1.543 55.605 54.000 0.104 0.000 0.840 123 D CB -0.103 40.726 40.800 0.049 0.000 0.947 123 D HN 0.510 nan 8.370 nan 0.000 0.452 124 L N -0.004 121.309 121.223 0.151 0.000 2.141 124 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 124 L C 2.837 179.832 176.870 0.209 0.000 1.094 124 L CA 0.942 55.873 54.840 0.152 0.000 0.763 124 L CB -0.665 41.419 42.059 0.041 0.000 0.908 124 L HN 0.134 nan 8.230 nan 0.000 0.437 125 H N 0.094 119.235 119.070 0.117 0.000 2.293 125 H HA -0.135 4.421 4.556 -0.000 0.000 0.300 125 H C 2.460 177.853 175.328 0.108 0.000 1.082 125 H CA 1.888 58.001 56.048 0.108 0.000 1.308 125 H CB 0.023 29.824 29.762 0.064 0.000 1.375 125 H HN 0.316 nan 8.280 nan 0.000 0.495 126 I N 0.382 121.100 120.570 0.246 0.000 2.179 126 I HA -0.292 3.877 4.170 -0.000 0.000 0.242 126 I C 2.580 178.787 176.117 0.150 0.000 1.088 126 I CA 1.184 62.579 61.300 0.160 0.000 1.357 126 I CB -0.401 37.677 38.000 0.130 0.000 1.051 126 I HN 0.082 nan 8.210 nan 0.000 0.409 127 F N 1.954 121.933 119.950 0.049 0.000 2.091 127 F HA -0.194 4.333 4.527 -0.001 0.000 0.299 127 F C 2.281 178.096 175.800 0.024 0.000 1.103 127 F CA 1.838 59.854 58.000 0.028 0.000 1.228 127 F CB -0.872 38.139 39.000 0.018 0.000 0.984 127 F HN -0.003 nan 8.300 nan 0.000 0.477 128 G N 0.924 109.736 108.800 0.021 0.000 2.421 128 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 128 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 128 G C 1.780 176.605 174.900 -0.125 0.000 1.171 128 G CA 1.115 46.154 45.100 -0.103 0.000 0.775 128 G HN 0.454 nan 8.290 nan 0.000 0.543 129 L N 0.086 121.290 121.223 -0.031 0.000 2.046 129 L HA -0.087 4.252 4.340 -0.000 0.000 0.208 129 L C 2.905 179.735 176.870 -0.066 0.000 1.077 129 L CA 1.335 56.162 54.840 -0.020 0.000 0.747 129 L CB -0.473 41.607 42.059 0.034 0.000 0.896 129 L HN 0.313 nan 8.230 nan 0.000 0.432 130 E N -0.040 120.104 120.200 -0.095 0.000 2.085 130 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 130 E C 2.123 178.621 176.600 -0.169 0.000 0.994 130 E CA 0.897 57.231 56.400 -0.110 0.000 0.801 130 E CB 0.061 29.703 29.700 -0.097 0.000 0.743 130 E HN 0.308 nan 8.360 nan 0.000 0.453 131 K N 0.394 120.615 120.400 -0.298 0.000 2.280 131 K HA -0.079 4.241 4.320 -0.000 0.000 0.202 131 K C 1.855 178.363 176.600 -0.153 0.000 1.047 131 K CA 0.668 56.782 56.287 -0.290 0.000 0.942 131 K CB 0.002 32.226 32.500 -0.459 0.000 0.739 131 K HN 0.243 nan 8.250 nan 0.000 0.457 132 L N -0.397 120.755 121.223 -0.118 0.000 2.591 132 L HA 0.067 4.407 4.340 -0.000 0.000 0.228 132 L C 1.139 177.978 176.870 -0.052 0.000 1.133 132 L CA 0.429 55.228 54.840 -0.068 0.000 0.880 132 L CB 0.028 42.059 42.059 -0.048 0.000 1.033 132 L HN 0.372 nan 8.230 nan 0.000 0.450 133 G N -0.417 108.347 108.800 -0.059 0.000 2.201 133 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.212 133 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.212 133 G C 0.386 175.267 174.900 -0.031 0.000 0.994 133 G CA -0.140 44.935 45.100 -0.042 0.000 0.644 133 G HN 0.420 nan 8.290 nan 0.000 0.508 134 A N 0.150 122.953 122.820 -0.028 0.000 2.407 134 A HA 0.635 4.955 4.320 -0.000 0.000 0.248 134 A C 0.321 177.899 177.584 -0.009 0.000 1.082 134 A CA 0.650 52.680 52.037 -0.012 0.000 0.785 134 A CB 0.528 19.528 19.000 0.001 0.000 1.020 134 A HN 0.591 nan 8.150 nan 0.000 0.489 135 E N 1.713 121.913 120.200 -0.000 0.000 2.133 135 E HA 0.464 4.814 4.350 -0.000 0.000 0.274 135 E C -1.139 175.471 176.600 0.017 0.000 0.930 135 E CA -0.532 55.871 56.400 0.005 0.000 0.770 135 E CB 0.575 30.277 29.700 0.004 0.000 1.104 135 E HN 0.508 nan 8.360 nan 0.000 0.403 136 I N 4.145 124.729 120.570 0.023 0.000 2.362 136 I HA 0.355 4.525 4.170 -0.000 0.000 0.289 136 I C -0.373 175.767 176.117 0.037 0.000 0.994 136 I CA -0.821 60.500 61.300 0.036 0.000 1.158 136 I CB 1.158 39.184 38.000 0.043 0.000 1.315 136 I HN 0.445 nan 8.210 nan 0.000 0.451 137 K N 4.972 125.398 120.400 0.042 0.000 2.267 137 K HA 0.673 4.993 4.320 -0.000 0.000 0.246 137 K C -0.979 175.654 176.600 0.054 0.000 0.954 137 K CA -0.762 55.551 56.287 0.042 0.000 0.824 137 K CB 2.562 35.085 32.500 0.038 0.000 1.167 137 K HN 0.381 nan 8.250 nan 0.000 0.431 138 L N 2.245 123.498 121.223 0.051 0.000 2.316 138 L HA 0.388 4.728 4.340 -0.000 0.000 0.280 138 L C -1.372 175.536 176.870 0.063 0.000 1.006 138 L CA 0.126 55.001 54.840 0.059 0.000 0.836 138 L CB 0.719 42.804 42.059 0.043 0.000 1.221 138 L HN 0.762 nan 8.230 nan 0.000 0.418 139 E N 2.942 123.197 120.200 0.092 0.000 2.290 139 E HA 0.435 4.785 4.350 -0.000 0.000 0.274 139 E C -0.680 175.999 176.600 0.133 0.000 0.889 139 E CA -0.671 55.779 56.400 0.084 0.000 0.760 139 E CB 1.219 30.953 29.700 0.057 0.000 1.206 139 E HN 0.611 nan 8.360 nan 0.000 0.419 140 E N 1.274 121.535 120.200 0.102 0.000 2.791 140 E HA -0.288 4.061 4.350 -0.000 0.000 0.271 140 E C 0.671 177.391 176.600 0.201 0.000 1.044 140 E CA 0.746 57.223 56.400 0.129 0.000 0.814 140 E CB -1.550 28.223 29.700 0.121 0.000 1.400 140 E HN 1.208 nan 8.360 nan 0.000 0.423 141 G N -1.068 107.802 108.800 0.117 0.000 2.157 141 G HA2 -0.341 3.618 3.960 -0.000 0.000 0.248 141 G HA3 -0.341 3.618 3.960 -0.000 0.000 0.248 141 G C -0.346 174.505 174.900 -0.082 0.000 0.979 141 G CA 0.433 45.542 45.100 0.015 0.000 0.650 141 G HN 0.267 nan 8.290 nan 0.000 0.529 142 Y N -0.629 119.689 120.300 0.030 0.000 2.335 142 Y HA 0.555 5.105 4.550 -0.000 0.000 0.338 142 Y C 0.474 176.393 175.900 0.031 0.000 0.977 142 Y CA -0.866 57.257 58.100 0.038 0.000 1.114 142 Y CB 2.143 40.627 38.460 0.040 0.000 1.182 142 Y HN 0.198 nan 8.280 nan 0.000 0.463 143 V N 6.085 126.067 119.914 0.114 0.000 2.427 143 V HA 0.290 4.409 4.120 -0.000 0.000 0.268 143 V C -0.652 175.517 176.094 0.124 0.000 1.046 143 V CA -0.393 61.961 62.300 0.088 0.000 0.970 143 V CB -0.046 31.802 31.823 0.041 0.000 1.001 143 V HN 0.689 nan 8.190 nan 0.000 0.476 144 K N 6.357 126.823 120.400 0.110 0.000 2.265 144 K HA 0.778 5.097 4.320 -0.000 0.000 0.267 144 K C -0.455 176.186 176.600 0.069 0.000 0.994 144 K CA -0.285 56.061 56.287 0.099 0.000 0.860 144 K CB 1.985 34.536 32.500 0.085 0.000 1.099 144 K HN 0.785 nan 8.250 nan 0.000 0.448 145 A N 1.789 124.649 122.820 0.066 0.000 2.355 145 A HA 0.772 5.091 4.320 -0.000 0.000 0.324 145 A C -0.666 176.936 177.584 0.031 0.000 1.117 145 A CA -0.609 51.457 52.037 0.048 0.000 0.785 145 A CB 1.271 20.305 19.000 0.056 0.000 1.254 145 A HN 0.716 nan 8.150 nan 0.000 0.453 146 S N -0.374 115.335 115.700 0.016 0.000 2.588 146 S HA 0.778 5.248 4.470 -0.000 0.000 0.269 146 S C -1.355 173.241 174.600 -0.006 0.000 1.157 146 S CA -0.415 57.784 58.200 -0.001 0.000 0.824 146 S CB 1.292 64.489 63.200 -0.005 0.000 1.126 146 S HN 2.176 nan 8.310 nan 0.000 0.464 147 V N 0.917 120.821 119.914 -0.015 0.000 2.924 147 V HA 0.583 4.703 4.120 -0.000 0.000 0.300 147 V C -1.864 174.217 176.094 -0.022 0.000 1.227 147 V CA -0.631 61.659 62.300 -0.017 0.000 0.954 147 V CB 2.120 33.933 31.823 -0.017 0.000 1.055 147 V HN 1.051 nan 8.190 nan 0.000 0.429 148 N N 4.289 122.978 118.700 -0.019 0.000 2.469 148 N HA 0.677 5.417 4.740 -0.000 0.000 0.239 148 N C 0.244 175.741 175.510 -0.022 0.000 1.053 148 N CA 1.504 54.542 53.050 -0.020 0.000 0.937 148 N CB 1.120 39.599 38.487 -0.015 0.000 1.163 148 N HN 1.431 nan 8.380 nan 0.000 0.509 149 G N 1.860 110.644 108.800 -0.026 0.000 2.545 149 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 149 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 149 G C -0.657 174.222 174.900 -0.035 0.000 1.314 149 G CA -0.833 44.249 45.100 -0.029 0.000 0.906 149 G HN 0.563 nan 8.290 nan 0.000 0.563 150 R N -0.654 119.824 120.500 -0.036 0.000 2.577 150 R HA 0.590 4.930 4.340 -0.000 0.000 0.269 150 R C 0.712 176.992 176.300 -0.033 0.000 1.084 150 R CA -0.610 55.467 56.100 -0.040 0.000 1.163 150 R CB 0.409 30.683 30.300 -0.043 0.000 1.100 150 R HN 0.463 nan 8.270 nan 0.000 0.547 151 L N 1.277 122.481 121.223 -0.032 0.000 2.472 151 L HA 0.203 4.543 4.340 -0.000 0.000 0.260 151 L C 0.247 177.100 176.870 -0.029 0.000 1.209 151 L CA -0.132 54.691 54.840 -0.028 0.000 0.817 151 L CB 0.230 42.274 42.059 -0.025 0.000 1.106 151 L HN 0.278 nan 8.230 nan 0.000 0.479 152 K N 0.136 120.519 120.400 -0.029 0.000 2.207 152 K HA 0.457 4.776 4.320 -0.000 0.000 0.255 152 K C -0.150 176.433 176.600 -0.027 0.000 0.941 152 K CA -0.313 55.958 56.287 -0.027 0.000 0.825 152 K CB 1.855 34.340 32.500 -0.025 0.000 1.119 152 K HN 0.594 nan 8.250 nan 0.000 0.430 153 G N 1.013 109.798 108.800 -0.024 0.000 2.554 153 G HA2 0.478 4.438 3.960 -0.000 0.000 0.238 153 G HA3 0.478 4.438 3.960 -0.000 0.000 0.238 153 G C -0.856 174.035 174.900 -0.014 0.000 1.259 153 G CA 0.132 45.219 45.100 -0.021 0.000 0.843 153 G HN 0.642 nan 8.290 nan 0.000 0.582 154 A N 0.946 123.764 122.820 -0.004 0.000 2.609 154 A HA 0.654 4.974 4.320 -0.000 0.000 0.291 154 A C -1.009 176.623 177.584 0.080 0.000 1.096 154 A CA -0.721 51.328 52.037 0.020 0.000 0.684 154 A CB 1.046 20.038 19.000 -0.014 0.000 1.282 154 A HN 0.930 nan 8.150 nan 0.000 0.412 155 H N 0.925 119.984 119.070 -0.018 0.000 2.690 155 H HA 0.598 5.154 4.556 -0.001 0.000 0.289 155 H C -1.005 174.329 175.328 0.010 0.000 1.089 155 H CA -0.440 55.607 56.048 -0.001 0.000 1.299 155 H CB 0.198 29.962 29.762 0.004 0.000 1.405 155 H HN 0.466 nan 8.280 nan 0.000 0.463 156 I N 6.263 126.930 120.570 0.161 0.000 2.362 156 I HA 0.164 4.334 4.170 -0.000 0.000 0.289 156 I C -0.492 175.680 176.117 0.092 0.000 0.994 156 I CA -0.982 60.371 61.300 0.089 0.000 1.158 156 I CB 1.823 39.867 38.000 0.074 0.000 1.315 156 I HN 0.288 nan 8.210 nan 0.000 0.451 157 V N 6.695 126.655 119.914 0.076 0.000 2.350 157 V HA 0.318 4.438 4.120 -0.000 0.000 0.276 157 V C 0.442 176.582 176.094 0.076 0.000 1.028 157 V CA -0.582 61.735 62.300 0.028 0.000 0.860 157 V CB 1.323 33.112 31.823 -0.056 0.000 0.990 157 V HN 0.622 nan 8.190 nan 0.000 0.453 158 M N 4.508 124.137 119.600 0.049 0.000 2.220 158 M HA 0.184 4.664 4.480 -0.000 0.000 0.343 158 M C 0.412 176.673 176.300 -0.065 0.000 1.470 158 M CA -0.195 55.107 55.300 0.003 0.000 1.161 158 M CB 0.350 32.959 32.600 0.016 0.000 1.737 158 M HN 0.812 nan 8.290 nan 0.000 0.464 159 D N 2.315 122.627 120.400 -0.146 0.000 2.870 159 D HA 0.241 4.881 4.640 -0.000 0.000 0.241 159 D C -0.124 176.108 176.300 -0.113 0.000 1.234 159 D CA -0.095 53.825 54.000 -0.133 0.000 0.844 159 D CB 0.230 40.925 40.800 -0.175 0.000 1.051 159 D HN 0.514 nan 8.370 nan 0.000 0.469 160 K N -0.681 119.668 120.400 -0.086 0.000 2.801 160 K HA 0.176 4.496 4.320 -0.000 0.000 0.287 160 K C -1.880 174.688 176.600 -0.053 0.000 1.084 160 K CA -0.739 55.504 56.287 -0.073 0.000 0.901 160 K CB 1.460 33.908 32.500 -0.087 0.000 1.405 160 K HN -0.088 nan 8.250 nan 0.000 0.378 161 V N 2.543 122.429 119.914 -0.047 0.000 2.385 161 V HA 0.363 4.483 4.120 -0.000 0.000 0.269 161 V C -0.171 175.904 176.094 -0.030 0.000 1.043 161 V CA -0.157 62.126 62.300 -0.029 0.000 0.906 161 V CB 1.023 32.834 31.823 -0.021 0.000 0.995 161 V HN 0.615 nan 8.190 nan 0.000 0.467 162 S N 4.132 119.824 115.700 -0.014 0.000 2.647 162 S HA 0.426 4.896 4.470 -0.000 0.000 0.300 162 S C 0.563 175.184 174.600 0.036 0.000 1.129 162 S CA -0.588 57.612 58.200 0.001 0.000 1.029 162 S CB 1.897 65.089 63.200 -0.012 0.000 1.007 162 S HN 0.312 nan 8.310 nan 0.000 0.484 163 V N 5.460 125.423 119.914 0.082 0.000 2.270 163 V HA -0.006 4.113 4.120 -0.000 0.000 0.245 163 V C 2.699 178.930 176.094 0.228 0.000 1.043 163 V CA 2.549 64.930 62.300 0.136 0.000 1.014 163 V CB -1.290 30.635 31.823 0.169 0.000 0.645 163 V HN 0.959 nan 8.190 nan 0.000 0.447 164 G N -0.358 108.629 108.800 0.311 0.000 2.459 164 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 164 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 164 G C 1.779 176.777 174.900 0.163 0.000 1.183 164 G CA 1.194 46.615 45.100 0.535 0.000 0.776 164 G HN 0.621 nan 8.290 nan 0.000 0.552 165 A N 0.069 122.667 122.820 -0.370 0.000 1.933 165 A HA -0.016 4.303 4.320 -0.000 0.000 0.218 165 A C 2.527 180.007 177.584 -0.172 0.000 1.175 165 A CA 2.469 54.124 52.037 -0.636 0.000 0.628 165 A CB -0.951 17.823 19.000 -0.376 0.000 0.814 165 A HN 0.312 nan 8.150 nan 0.000 0.444 166 T N -0.344 114.183 114.554 -0.045 0.000 2.746 166 T HA -0.121 4.228 4.350 -0.000 0.000 0.267 166 T C 1.874 176.573 174.700 -0.002 0.000 1.039 166 T CA 1.578 63.675 62.100 -0.004 0.000 1.142 166 T CB -0.405 68.472 68.868 0.014 0.000 0.866 166 T HN 0.170 nan 8.240 nan 0.000 0.444 167 V N 1.381 121.308 119.914 0.022 0.000 2.295 167 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 167 V C 2.801 178.872 176.094 -0.038 0.000 1.049 167 V CA 2.033 64.289 62.300 -0.074 0.000 1.024 167 V CB -1.163 30.495 31.823 -0.274 0.000 0.648 167 V HN 0.503 nan 8.190 nan 0.000 0.447 168 T N 0.425 115.044 114.554 0.108 0.000 2.635 168 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 168 T C 1.788 176.532 174.700 0.073 0.000 1.040 168 T CA 2.142 64.344 62.100 0.170 0.000 1.156 168 T CB -0.321 68.727 68.868 0.300 0.000 0.863 168 T HN 0.350 nan 8.240 nan 0.000 0.430 169 I N 0.617 121.206 120.570 0.032 0.000 2.202 169 I HA -0.162 4.008 4.170 -0.000 0.000 0.242 169 I C 2.602 178.723 176.117 0.006 0.000 1.091 169 I CA 1.288 62.599 61.300 0.018 0.000 1.368 169 I CB -0.403 37.605 38.000 0.014 0.000 1.058 169 I HN 0.256 nan 8.210 nan 0.000 0.410 170 M N 0.387 119.984 119.600 -0.004 0.000 2.108 170 M HA -0.222 4.258 4.480 -0.000 0.000 0.261 170 M C 2.425 178.712 176.300 -0.022 0.000 1.066 170 M CA 1.899 57.189 55.300 -0.017 0.000 1.107 170 M CB -0.020 32.564 32.600 -0.027 0.000 1.356 170 M HN 0.125 nan 8.290 nan 0.000 0.406 171 S N 0.725 116.413 115.700 -0.020 0.000 2.356 171 S HA -0.066 4.404 4.470 -0.000 0.000 0.223 171 S C 2.029 176.631 174.600 0.004 0.000 1.032 171 S CA 1.328 59.522 58.200 -0.011 0.000 1.005 171 S CB -0.547 62.651 63.200 -0.003 0.000 0.867 171 S HN 0.696 nan 8.310 nan 0.000 0.449 172 A N 1.494 124.326 122.820 0.020 0.000 1.933 172 A HA 0.125 4.445 4.320 -0.000 0.000 0.218 172 A C 2.305 179.887 177.584 -0.004 0.000 1.175 172 A CA 1.632 53.681 52.037 0.020 0.000 0.628 172 A CB -0.981 18.039 19.000 0.033 0.000 0.814 172 A HN 0.514 nan 8.150 nan 0.000 0.444 173 A N -0.083 122.731 122.820 -0.010 0.000 2.019 173 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 173 A C 2.339 179.905 177.584 -0.029 0.000 1.164 173 A CA 2.265 54.291 52.037 -0.019 0.000 0.644 173 A CB -1.373 17.617 19.000 -0.017 0.000 0.805 173 A HN 0.807 nan 8.150 nan 0.000 0.449 174 T N -1.931 112.602 114.554 -0.034 0.000 2.849 174 T HA -0.043 4.307 4.350 -0.000 0.000 0.270 174 T C 1.298 175.967 174.700 -0.050 0.000 1.066 174 T CA 1.469 63.541 62.100 -0.047 0.000 1.130 174 T CB -0.359 68.472 68.868 -0.060 0.000 0.864 174 T HN 0.328 nan 8.240 nan 0.000 0.481 175 L N 0.585 121.780 121.223 -0.046 0.000 2.769 175 L HA 0.541 4.881 4.340 -0.000 0.000 0.240 175 L C 1.294 178.135 176.870 -0.048 0.000 1.163 175 L CA -0.586 54.221 54.840 -0.054 0.000 0.962 175 L CB -0.296 41.723 42.059 -0.066 0.000 1.258 175 L HN 0.306 nan 8.230 nan 0.000 0.513 176 A N 0.274 123.071 122.820 -0.039 0.000 2.272 176 A HA 0.243 4.563 4.320 -0.000 0.000 0.275 176 A C 0.095 177.658 177.584 -0.035 0.000 1.096 176 A CA -0.243 51.773 52.037 -0.035 0.000 0.822 176 A CB 0.430 19.412 19.000 -0.030 0.000 1.088 176 A HN 0.255 nan 8.150 nan 0.000 0.495 177 E N -0.063 120.118 120.200 -0.032 0.000 2.046 177 E HA 0.467 4.817 4.350 -0.000 0.000 0.279 177 E C 0.455 177.039 176.600 -0.028 0.000 0.989 177 E CA 0.728 57.110 56.400 -0.030 0.000 0.798 177 E CB 0.191 29.875 29.700 -0.028 0.000 1.086 177 E HN 1.331 nan 8.360 nan 0.000 0.399 178 G N 2.655 111.438 108.800 -0.029 0.000 2.447 178 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.220 178 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.220 178 G C -0.571 174.311 174.900 -0.030 0.000 1.261 178 G CA -0.605 44.478 45.100 -0.028 0.000 1.000 178 G HN 0.456 nan 8.290 nan 0.000 0.515 179 T N 1.058 115.593 114.554 -0.032 0.000 2.824 179 T HA 0.714 5.064 4.350 -0.000 0.000 0.280 179 T C -0.014 174.665 174.700 -0.035 0.000 0.995 179 T CA 0.211 62.289 62.100 -0.037 0.000 1.009 179 T CB 1.566 70.407 68.868 -0.046 0.000 0.955 179 T HN 0.743 nan 8.240 nan 0.000 0.452 180 T N 3.364 117.899 114.554 -0.030 0.000 2.856 180 T HA 0.670 5.019 4.350 -0.000 0.000 0.283 180 T C -0.420 174.270 174.700 -0.017 0.000 1.008 180 T CA -0.532 61.558 62.100 -0.016 0.000 0.997 180 T CB 0.729 69.591 68.868 -0.009 0.000 0.992 180 T HN 0.409 nan 8.240 nan 0.000 0.454 181 I N 3.141 123.717 120.570 0.010 0.000 2.478 181 I HA 0.424 4.594 4.170 -0.000 0.000 0.287 181 I C -0.744 175.453 176.117 0.134 0.000 1.042 181 I CA -0.742 60.571 61.300 0.021 0.000 1.067 181 I CB 1.787 39.709 38.000 -0.129 0.000 1.233 181 I HN 0.465 nan 8.210 nan 0.000 0.431 182 I N 5.891 126.515 120.570 0.090 0.000 2.307 182 I HA 0.261 4.430 4.170 -0.000 0.000 0.289 182 I C 0.106 176.282 176.117 0.097 0.000 1.021 182 I CA -0.579 60.778 61.300 0.095 0.000 1.224 182 I CB 0.827 38.859 38.000 0.054 0.000 1.376 182 I HN 0.435 nan 8.210 nan 0.000 0.470 183 E N 4.942 125.210 120.200 0.113 0.000 2.266 183 E HA 0.113 4.463 4.350 -0.000 0.000 0.277 183 E C 0.171 176.799 176.600 0.046 0.000 1.018 183 E CA -0.353 56.098 56.400 0.085 0.000 0.840 183 E CB 1.033 30.772 29.700 0.065 0.000 1.082 183 E HN 0.553 nan 8.360 nan 0.000 0.395 184 N N 0.549 119.269 118.700 0.033 0.000 2.740 184 N HA -0.224 4.516 4.740 -0.000 0.000 0.248 184 N C -1.150 174.371 175.510 0.018 0.000 1.062 184 N CA 0.792 53.852 53.050 0.017 0.000 0.704 184 N CB -0.828 37.660 38.487 0.001 0.000 0.968 184 N HN 0.571 nan 8.380 nan 0.000 0.547 185 A N -0.060 122.776 122.820 0.027 0.000 2.386 185 A HA 0.705 5.024 4.320 -0.000 0.000 0.248 185 A C 0.909 178.508 177.584 0.025 0.000 1.082 185 A CA 0.127 52.179 52.037 0.026 0.000 0.789 185 A CB 0.369 19.385 19.000 0.027 0.000 1.025 185 A HN 0.867 nan 8.150 nan 0.000 0.490 186 A N 0.821 123.657 122.820 0.026 0.000 2.425 186 A HA 0.466 4.786 4.320 -0.000 0.000 0.249 186 A C 0.800 178.410 177.584 0.044 0.000 1.084 186 A CA -0.217 51.842 52.037 0.035 0.000 0.781 186 A CB 0.031 19.055 19.000 0.040 0.000 1.019 186 A HN 0.790 nan 8.150 nan 0.000 0.490 187 R N 0.476 121.018 120.500 0.070 0.000 2.362 187 R HA 0.148 4.488 4.340 -0.000 0.000 0.227 187 R C -0.273 176.091 176.300 0.108 0.000 0.905 187 R CA -0.059 56.099 56.100 0.096 0.000 1.067 187 R CB 0.013 30.383 30.300 0.117 0.000 1.078 187 R HN 0.787 nan 8.270 nan 0.000 0.516 188 E N 1.145 121.373 120.200 0.046 0.000 2.604 188 E HA -0.092 4.258 4.350 -0.000 0.000 0.267 188 E C -1.639 174.855 176.600 -0.175 0.000 0.970 188 E CA -0.687 55.634 56.400 -0.133 0.000 0.956 188 E CB 0.353 30.013 29.700 -0.066 0.000 0.939 188 E HN -0.055 nan 8.360 nan 0.000 0.465 189 P HA -0.169 nan 4.420 nan 0.000 0.217 189 P C 0.346 177.591 177.300 -0.092 0.000 1.148 189 P CA 1.192 64.181 63.100 -0.185 0.000 0.828 189 P CB 0.295 31.857 31.700 -0.230 0.000 0.783 190 E N -0.985 119.160 120.200 -0.092 0.000 2.150 190 E HA -0.123 4.226 4.350 -0.000 0.000 0.193 190 E C 1.946 178.513 176.600 -0.056 0.000 0.985 190 E CA 0.792 57.158 56.400 -0.056 0.000 0.814 190 E CB -0.844 28.834 29.700 -0.037 0.000 0.752 190 E HN 0.193 nan 8.360 nan 0.000 0.466 191 I N 0.242 120.783 120.570 -0.048 0.000 2.226 191 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 191 I C 2.118 178.214 176.117 -0.034 0.000 1.100 191 I CA 0.941 62.216 61.300 -0.042 0.000 1.374 191 I CB -0.984 37.007 38.000 -0.017 0.000 1.057 191 I HN 0.022 nan 8.210 nan 0.000 0.413 192 V N 0.994 120.896 119.914 -0.020 0.000 2.343 192 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 192 V C 2.274 178.376 176.094 0.014 0.000 1.051 192 V CA 2.153 64.453 62.300 0.001 0.000 1.036 192 V CB -0.694 31.136 31.823 0.012 0.000 0.654 192 V HN 0.307 nan 8.190 nan 0.000 0.451 193 D N -0.261 120.151 120.400 0.019 0.000 2.117 193 D HA -0.136 4.503 4.640 -0.000 0.000 0.197 193 D C 2.278 178.547 176.300 -0.051 0.000 0.987 193 D CA 1.714 55.756 54.000 0.069 0.000 0.829 193 D CB -0.126 40.725 40.800 0.085 0.000 0.961 193 D HN 0.391 nan 8.370 nan 0.000 0.460 194 T N -0.338 114.168 114.554 -0.081 0.000 2.821 194 T HA -0.090 4.259 4.350 -0.000 0.000 0.267 194 T C 1.910 176.568 174.700 -0.070 0.000 1.046 194 T CA 1.279 63.317 62.100 -0.103 0.000 1.139 194 T CB -0.382 68.402 68.868 -0.141 0.000 0.871 194 T HN 0.204 nan 8.240 nan 0.000 0.454 195 A N 2.655 125.435 122.820 -0.066 0.000 1.877 195 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 195 A C 2.235 179.769 177.584 -0.083 0.000 1.186 195 A CA 1.554 53.554 52.037 -0.061 0.000 0.620 195 A CB -0.647 18.332 19.000 -0.036 0.000 0.822 195 A HN 0.391 nan 8.150 nan 0.000 0.443 196 N N -1.020 117.641 118.700 -0.066 0.000 2.223 196 N HA -0.122 4.618 4.740 -0.000 0.000 0.185 196 N C 1.364 176.740 175.510 -0.224 0.000 1.016 196 N CA 1.400 54.425 53.050 -0.043 0.000 0.863 196 N CB -0.584 37.989 38.487 0.143 0.000 0.983 196 N HN 0.570 nan 8.380 nan 0.000 0.429 197 F N 1.780 121.308 119.950 -0.704 0.000 2.113 197 F HA -0.005 4.522 4.527 -0.001 0.000 0.297 197 F C 1.997 177.583 175.800 -0.357 0.000 1.103 197 F CA 0.961 58.431 58.000 -0.883 0.000 1.248 197 F CB -0.530 37.938 39.000 -0.886 0.000 0.999 197 F HN -0.105 nan 8.300 nan 0.000 0.475 198 L N -0.363 120.598 121.223 -0.436 0.000 2.042 198 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 198 L C 2.414 179.092 176.870 -0.320 0.000 1.076 198 L CA 1.162 55.752 54.840 -0.416 0.000 0.749 198 L CB -0.959 40.986 42.059 -0.190 0.000 0.893 198 L HN 0.038 nan 8.230 nan 0.000 0.432 199 V N 0.053 119.839 119.914 -0.214 0.000 2.407 199 V HA -0.287 3.832 4.120 -0.000 0.000 0.248 199 V C 2.712 178.722 176.094 -0.140 0.000 1.055 199 V CA 1.731 63.949 62.300 -0.136 0.000 1.049 199 V CB -0.837 30.942 31.823 -0.073 0.000 0.662 199 V HN 0.496 nan 8.190 nan 0.000 0.455 200 A N -0.432 122.284 122.820 -0.175 0.000 1.969 200 A HA -0.079 4.240 4.320 -0.000 0.000 0.218 200 A C 2.071 179.548 177.584 -0.178 0.000 1.169 200 A CA 1.354 53.322 52.037 -0.116 0.000 0.635 200 A CB -0.422 18.564 19.000 -0.023 0.000 0.810 200 A HN 0.536 nan 8.150 nan 0.000 0.445 201 L N -1.652 119.380 121.223 -0.319 0.000 2.599 201 L HA 0.170 4.510 4.340 -0.000 0.000 0.230 201 L C 1.672 178.441 176.870 -0.168 0.000 1.141 201 L CA 0.640 55.315 54.840 -0.275 0.000 0.877 201 L CB -0.092 41.721 42.059 -0.410 0.000 1.009 201 L HN 0.599 nan 8.230 nan 0.000 0.447 202 G N -0.680 108.034 108.800 -0.144 0.000 2.192 202 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.193 202 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.193 202 G C 0.391 175.234 174.900 -0.095 0.000 0.999 202 G CA -0.174 44.868 45.100 -0.098 0.000 0.659 202 G HN 0.409 nan 8.290 nan 0.000 0.503 203 A N 0.184 122.932 122.820 -0.120 0.000 2.406 203 A HA 0.628 4.948 4.320 -0.000 0.000 0.243 203 A C 0.448 177.986 177.584 -0.077 0.000 1.082 203 A CA 0.493 52.471 52.037 -0.100 0.000 0.786 203 A CB 0.308 19.237 19.000 -0.118 0.000 1.029 203 A HN 0.373 nan 8.150 nan 0.000 0.495 204 K N 1.294 121.657 120.400 -0.062 0.000 2.404 204 K HA 0.570 4.890 4.320 -0.000 0.000 0.257 204 K C -1.378 175.195 176.600 -0.044 0.000 1.026 204 K CA 0.296 56.554 56.287 -0.048 0.000 0.951 204 K CB 0.946 33.421 32.500 -0.041 0.000 1.203 204 K HN 0.586 nan 8.250 nan 0.000 0.446 205 I N 1.354 121.899 120.570 -0.042 0.000 2.647 205 I HA 0.339 4.508 4.170 -0.000 0.000 0.295 205 I C -0.364 175.737 176.117 -0.026 0.000 1.078 205 I CA -0.786 60.493 61.300 -0.035 0.000 1.048 205 I CB 2.344 40.320 38.000 -0.041 0.000 1.239 205 I HN 0.542 nan 8.210 nan 0.000 0.421 206 S N 2.085 117.773 115.700 -0.020 0.000 2.556 206 S HA 0.816 5.286 4.470 -0.000 0.000 0.271 206 S C 0.127 174.722 174.600 -0.009 0.000 1.135 206 S CA 0.018 58.210 58.200 -0.014 0.000 0.858 206 S CB 2.043 65.234 63.200 -0.015 0.000 1.114 206 S HN 1.368 nan 8.310 nan 0.000 0.468 207 G N 0.880 109.679 108.800 -0.003 0.000 2.213 207 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.236 207 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.236 207 G C 0.138 175.042 174.900 0.007 0.000 0.991 207 G CA 0.054 45.155 45.100 0.002 0.000 0.629 207 G HN 1.333 nan 8.290 nan 0.000 0.517 208 Q N 0.568 120.370 119.800 0.004 0.000 2.283 208 Q HA 0.363 4.703 4.340 -0.000 0.000 0.301 208 Q C 1.180 177.190 176.000 0.017 0.000 1.063 208 Q CA 1.276 57.083 55.803 0.006 0.000 0.952 208 Q CB 0.788 29.525 28.738 -0.001 0.000 1.166 208 Q HN 1.902 nan 8.270 nan 0.000 0.381 209 G N 2.178 110.993 108.800 0.025 0.000 2.213 209 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.226 209 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.226 209 G C 0.262 175.188 174.900 0.044 0.000 0.992 209 G CA 0.336 45.461 45.100 0.041 0.000 0.632 209 G HN 1.158 nan 8.290 nan 0.000 0.511 210 T N -2.753 111.819 114.554 0.030 0.000 2.870 210 T HA 0.617 4.966 4.350 -0.000 0.000 0.277 210 T C 0.695 175.411 174.700 0.026 0.000 1.000 210 T CA 0.436 62.551 62.100 0.026 0.000 0.982 210 T CB 1.678 70.557 68.868 0.018 0.000 1.249 210 T HN -0.164 nan 8.240 nan 0.000 0.589 211 D N -0.037 120.377 120.400 0.023 0.000 2.312 211 D HA 0.019 4.659 4.640 -0.000 0.000 0.211 211 D C 0.886 177.204 176.300 0.030 0.000 0.964 211 D CA 0.966 54.981 54.000 0.024 0.000 0.877 211 D CB 0.101 40.913 40.800 0.020 0.000 0.924 211 D HN 0.549 nan 8.370 nan 0.000 0.515 212 R N 0.744 121.261 120.500 0.029 0.000 2.451 212 R HA 0.445 4.785 4.340 -0.000 0.000 0.307 212 R C -1.316 174.997 176.300 0.021 0.000 0.965 212 R CA -0.356 55.764 56.100 0.034 0.000 0.865 212 R CB 0.635 30.956 30.300 0.036 0.000 1.174 212 R HN -0.206 nan 8.270 nan 0.000 0.455 213 I N 3.712 124.295 120.570 0.022 0.000 2.377 213 I HA 0.326 4.496 4.170 -0.000 0.000 0.293 213 I C -0.355 175.763 176.117 0.001 0.000 0.987 213 I CA -0.819 60.486 61.300 0.009 0.000 1.185 213 I CB 2.380 40.385 38.000 0.007 0.000 1.341 213 I HN 0.627 nan 8.210 nan 0.000 0.455 214 T N 7.078 121.625 114.554 -0.012 0.000 2.770 214 T HA 0.634 4.983 4.350 -0.000 0.000 0.283 214 T C -0.392 174.292 174.700 -0.026 0.000 0.988 214 T CA -0.315 61.771 62.100 -0.024 0.000 0.957 214 T CB 1.015 69.863 68.868 -0.034 0.000 0.930 214 T HN 0.169 nan 8.240 nan 0.000 0.443 215 I N 2.468 123.022 120.570 -0.028 0.000 2.465 215 I HA 0.371 4.541 4.170 -0.000 0.000 0.291 215 I C 0.168 176.264 176.117 -0.034 0.000 1.014 215 I CA -0.585 60.696 61.300 -0.031 0.000 1.093 215 I CB 1.969 39.952 38.000 -0.028 0.000 1.267 215 I HN 0.543 nan 8.210 nan 0.000 0.431 216 E N 4.704 124.882 120.200 -0.036 0.000 2.102 216 E HA 0.507 4.857 4.350 -0.000 0.000 0.263 216 E C 0.112 176.689 176.600 -0.038 0.000 0.894 216 E CA -0.627 55.751 56.400 -0.036 0.000 0.746 216 E CB 1.126 30.805 29.700 -0.035 0.000 1.129 216 E HN 0.851 nan 8.360 nan 0.000 0.416 217 G N 2.319 111.097 108.800 -0.037 0.000 2.562 217 G HA2 0.254 4.214 3.960 -0.000 0.000 0.233 217 G HA3 0.254 4.214 3.960 -0.000 0.000 0.233 217 G C 0.076 174.951 174.900 -0.042 0.000 1.266 217 G CA 0.174 45.250 45.100 -0.040 0.000 0.852 217 G HN 0.443 nan 8.290 nan 0.000 0.581 218 V N -1.216 118.670 119.914 -0.047 0.000 3.102 218 V HA 0.553 4.673 4.120 -0.000 0.000 0.312 218 V C 0.833 176.896 176.094 -0.051 0.000 1.135 218 V CA -0.771 61.501 62.300 -0.047 0.000 1.022 218 V CB 1.900 33.692 31.823 -0.051 0.000 1.056 218 V HN 0.784 nan 8.190 nan 0.000 0.436 219 E N 1.142 121.313 120.200 -0.048 0.000 2.077 219 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 219 E C 0.431 176.994 176.600 -0.063 0.000 0.989 219 E CA 1.812 58.182 56.400 -0.051 0.000 0.800 219 E CB 0.112 29.786 29.700 -0.043 0.000 0.746 219 E HN 0.773 nan 8.360 nan 0.000 0.452 220 R N -0.847 119.617 120.500 -0.061 0.000 2.716 220 R HA 0.535 4.875 4.340 -0.000 0.000 0.271 220 R C -1.377 174.882 176.300 -0.068 0.000 1.028 220 R CA -0.753 55.306 56.100 -0.069 0.000 0.883 220 R CB 0.941 31.204 30.300 -0.062 0.000 1.250 220 R HN -0.152 nan 8.270 nan 0.000 0.465 221 L N 1.095 122.274 121.223 -0.073 0.000 2.334 221 L HA 0.595 4.935 4.340 -0.000 0.000 0.276 221 L C 0.662 177.492 176.870 -0.066 0.000 1.014 221 L CA -0.663 54.127 54.840 -0.084 0.000 0.815 221 L CB 2.018 44.013 42.059 -0.106 0.000 1.268 221 L HN 1.002 nan 8.230 nan 0.000 0.428 222 G N 1.280 110.039 108.800 -0.068 0.000 3.311 222 G HA2 0.603 4.563 3.960 -0.000 0.000 0.169 222 G HA3 0.603 4.563 3.960 -0.000 0.000 0.169 222 G C 0.054 174.933 174.900 -0.035 0.000 1.852 222 G CA 0.418 45.494 45.100 -0.041 0.000 1.010 222 G HN 0.759 nan 8.290 nan 0.000 0.530 223 G N -3.142 105.644 108.800 -0.023 0.000 2.911 223 G HA2 0.712 4.672 3.960 -0.000 0.000 0.299 223 G HA3 0.712 4.672 3.960 -0.000 0.000 0.299 223 G C -0.369 174.535 174.900 0.007 0.000 1.283 223 G CA 0.151 45.254 45.100 0.005 0.000 0.805 223 G HN 1.834 nan 8.290 nan 0.000 0.548 224 G N -2.611 106.224 108.800 0.059 0.000 2.352 224 G HA2 0.504 4.464 3.960 -0.000 0.000 0.283 224 G HA3 0.504 4.464 3.960 -0.000 0.000 0.283 224 G C -2.010 172.965 174.900 0.125 0.000 1.308 224 G CA 0.174 45.319 45.100 0.075 0.000 0.892 224 G HN 1.418 nan 8.290 nan 0.000 0.504 225 V N 0.505 120.497 119.914 0.131 0.000 2.531 225 V HA 0.716 4.836 4.120 -0.000 0.000 0.301 225 V C -1.255 174.957 176.094 0.197 0.000 1.034 225 V CA -0.564 61.813 62.300 0.127 0.000 0.865 225 V CB 1.480 33.344 31.823 0.069 0.000 0.995 225 V HN 0.919 nan 8.190 nan 0.000 0.424 226 Y N 4.256 124.595 120.300 0.066 0.000 2.457 226 Y HA 0.592 5.142 4.550 -0.000 0.000 0.343 226 Y C -0.186 175.699 175.900 -0.025 0.000 0.994 226 Y CA -0.822 57.324 58.100 0.075 0.000 1.031 226 Y CB 1.700 40.318 38.460 0.263 0.000 1.246 226 Y HN 0.613 nan 8.280 nan 0.000 0.449 227 R N 5.453 125.639 120.500 -0.523 0.000 2.255 227 R HA 0.564 4.904 4.340 -0.000 0.000 0.326 227 R C -1.376 174.732 176.300 -0.321 0.000 0.986 227 R CA -0.521 55.379 56.100 -0.333 0.000 0.847 227 R CB 0.797 30.931 30.300 -0.277 0.000 1.111 227 R HN 0.618 nan 8.270 nan 0.000 0.452 228 V N 6.466 126.322 119.914 -0.096 0.000 2.763 228 V HA -0.013 4.107 4.120 -0.000 0.000 0.306 228 V C 1.043 177.112 176.094 -0.042 0.000 1.059 228 V CA -0.085 62.211 62.300 -0.007 0.000 1.138 228 V CB 0.542 32.348 31.823 -0.028 0.000 0.940 228 V HN 0.690 nan 8.190 nan 0.000 0.489 229 L N 4.917 126.138 121.223 -0.002 0.000 2.472 229 L HA 0.523 4.863 4.340 -0.000 0.000 0.260 229 L C -2.374 174.485 176.870 -0.019 0.000 1.209 229 L CA -1.601 53.227 54.840 -0.019 0.000 0.817 229 L CB -0.106 41.953 42.059 0.000 0.000 1.106 229 L HN 0.348 nan 8.230 nan 0.000 0.479 230 P HA -0.017 nan 4.420 nan 0.000 0.269 230 P C -1.141 176.156 177.300 -0.006 0.000 1.209 230 P CA 0.045 63.142 63.100 -0.005 0.000 0.776 230 P CB 0.334 32.037 31.700 0.005 0.000 0.876 231 D N 2.869 123.268 120.400 -0.000 0.000 2.359 231 D HA -0.007 4.633 4.640 -0.000 0.000 0.250 231 D C 1.331 177.633 176.300 0.002 0.000 1.264 231 D CA -0.081 53.911 54.000 -0.013 0.000 0.911 231 D CB 0.495 41.278 40.800 -0.027 0.000 1.056 231 D HN 0.340 nan 8.370 nan 0.000 0.499 232 R N 3.666 124.159 120.500 -0.012 0.000 2.152 232 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 232 R C 1.405 177.709 176.300 0.006 0.000 1.117 232 R CA 0.583 56.682 56.100 -0.001 0.000 0.981 232 R CB -0.124 30.162 30.300 -0.024 0.000 0.870 232 R HN 0.339 nan 8.270 nan 0.000 0.451 233 I N 1.757 122.315 120.570 -0.020 0.000 2.353 233 I HA -0.131 4.039 4.170 -0.000 0.000 0.248 233 I C 2.516 178.643 176.117 0.017 0.000 1.119 233 I CA 1.196 62.485 61.300 -0.018 0.000 1.417 233 I CB -1.184 36.781 38.000 -0.058 0.000 1.078 233 I HN 0.361 nan 8.210 nan 0.000 0.421 234 E N 0.946 121.145 120.200 -0.003 0.000 2.077 234 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 234 E C 2.043 178.788 176.600 0.242 0.000 0.989 234 E CA 2.027 58.491 56.400 0.107 0.000 0.800 234 E CB 0.172 29.949 29.700 0.128 0.000 0.746 234 E HN 0.392 nan 8.360 nan 0.000 0.452 235 T N -0.155 114.515 114.554 0.194 0.000 2.652 235 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 235 T C 1.760 176.575 174.700 0.191 0.000 1.039 235 T CA 1.361 63.589 62.100 0.214 0.000 1.153 235 T CB -0.746 68.198 68.868 0.127 0.000 0.863 235 T HN 0.413 nan 8.240 nan 0.000 0.428 236 G N 0.911 109.788 108.800 0.129 0.000 2.442 236 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 236 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 236 G C 1.709 176.678 174.900 0.114 0.000 1.141 236 G CA 1.464 46.643 45.100 0.132 0.000 0.763 236 G HN 0.466 nan 8.290 nan 0.000 0.554 237 T N 0.796 115.393 114.554 0.071 0.000 2.746 237 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 237 T C 2.037 176.651 174.700 -0.144 0.000 1.039 237 T CA 1.013 63.082 62.100 -0.052 0.000 1.142 237 T CB -0.326 68.499 68.868 -0.072 0.000 0.866 237 T HN 0.297 nan 8.240 nan 0.000 0.444 238 F N 0.756 120.758 119.950 0.087 0.000 2.259 238 F HA 0.140 4.667 4.527 -0.000 0.000 0.298 238 F C 2.097 177.915 175.800 0.030 0.000 1.088 238 F CA 0.507 58.538 58.000 0.051 0.000 1.358 238 F CB -0.397 38.641 39.000 0.063 0.000 1.040 238 F HN 0.057 nan 8.300 nan 0.000 0.505 239 L N -0.804 120.539 121.223 0.201 0.000 2.083 239 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 239 L C 2.288 179.185 176.870 0.045 0.000 1.083 239 L CA 0.658 55.573 54.840 0.124 0.000 0.752 239 L CB -0.662 41.472 42.059 0.126 0.000 0.899 239 L HN -0.015 nan 8.230 nan 0.000 0.433 240 V N -0.120 119.790 119.914 -0.007 0.000 2.548 240 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 240 V C 2.719 178.763 176.094 -0.084 0.000 1.055 240 V CA 1.520 63.746 62.300 -0.123 0.000 1.065 240 V CB -0.598 31.102 31.823 -0.206 0.000 0.681 240 V HN 0.460 nan 8.190 nan 0.000 0.462 241 A N 0.170 122.970 122.820 -0.033 0.000 1.908 241 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 241 A C 2.415 180.004 177.584 0.008 0.000 1.181 241 A CA 2.363 54.395 52.037 -0.009 0.000 0.627 241 A CB -0.750 18.287 19.000 0.061 0.000 0.818 241 A HN 0.570 nan 8.150 nan 0.000 0.445 242 A N -0.338 122.501 122.820 0.031 0.000 1.872 242 A HA 0.236 4.555 4.320 -0.000 0.000 0.214 242 A C 2.531 180.106 177.584 -0.015 0.000 1.187 242 A CA 1.960 54.006 52.037 0.015 0.000 0.614 242 A CB -1.145 17.871 19.000 0.027 0.000 0.826 242 A HN 1.157 nan 8.150 nan 0.000 0.442 243 A N 0.530 123.333 122.820 -0.028 0.000 1.986 243 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 243 A C 2.017 179.569 177.584 -0.054 0.000 1.171 243 A CA 1.667 53.676 52.037 -0.046 0.000 0.640 243 A CB -0.841 18.115 19.000 -0.073 0.000 0.811 243 A HN 1.044 nan 8.150 nan 0.000 0.451 244 I N -3.038 117.494 120.570 -0.064 0.000 3.728 244 I HA 0.121 4.291 4.170 -0.000 0.000 0.307 244 I C 1.314 177.410 176.117 -0.035 0.000 1.276 244 I CA 1.088 62.353 61.300 -0.057 0.000 1.285 244 I CB 0.237 38.192 38.000 -0.074 0.000 1.038 244 I HN 0.230 nan 8.210 nan 0.000 0.445 245 S N -0.108 115.576 115.700 -0.026 0.000 2.663 245 S HA 0.449 4.919 4.470 -0.000 0.000 0.243 245 S C 1.490 176.083 174.600 -0.011 0.000 1.009 245 S CA 0.140 58.330 58.200 -0.016 0.000 0.988 245 S CB 0.234 63.427 63.200 -0.012 0.000 0.896 245 S HN 0.714 nan 8.310 nan 0.000 0.502 246 G N 0.622 109.415 108.800 -0.012 0.000 2.186 246 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.266 246 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.266 246 G C 0.602 175.493 174.900 -0.015 0.000 0.982 246 G CA 0.181 45.277 45.100 -0.007 0.000 0.670 246 G HN 1.103 nan 8.290 nan 0.000 0.533 247 G N -0.906 107.883 108.800 -0.018 0.000 2.535 247 G HA2 0.571 4.530 3.960 -0.000 0.000 0.282 247 G HA3 0.571 4.530 3.960 -0.000 0.000 0.282 247 G C -0.131 174.743 174.900 -0.042 0.000 1.350 247 G CA 0.112 45.199 45.100 -0.022 0.000 1.039 247 G HN 0.573 nan 8.290 nan 0.000 0.509 248 K N -0.993 119.384 120.400 -0.037 0.000 2.427 248 K HA 0.660 4.980 4.320 -0.000 0.000 0.252 248 K C -1.640 174.950 176.600 -0.017 0.000 0.931 248 K CA -0.726 55.533 56.287 -0.047 0.000 0.793 248 K CB 2.090 34.554 32.500 -0.060 0.000 1.211 248 K HN 0.432 nan 8.250 nan 0.000 0.426 249 I N 2.670 123.240 120.570 -0.000 0.000 2.913 249 I HA 0.421 4.590 4.170 -0.000 0.000 0.302 249 I C -1.815 174.323 176.117 0.034 0.000 1.246 249 I CA -0.952 60.356 61.300 0.013 0.000 1.010 249 I CB 2.362 40.384 38.000 0.038 0.000 1.259 249 I HN 0.380 nan 8.210 nan 0.000 0.434 250 V N 5.239 125.164 119.914 0.019 0.000 2.483 250 V HA 0.359 4.478 4.120 -0.000 0.000 0.297 250 V C -0.724 175.401 176.094 0.051 0.000 1.027 250 V CA -0.568 61.765 62.300 0.055 0.000 0.855 250 V CB 1.461 33.271 31.823 -0.023 0.000 0.995 250 V HN 0.780 nan 8.190 nan 0.000 0.424 251 C N 6.184 125.556 119.300 0.120 0.000 2.285 251 C HA 0.618 5.077 4.460 -0.000 0.000 0.335 251 C C 0.564 175.633 174.990 0.133 0.000 1.267 251 C CA -1.017 58.055 59.018 0.089 0.000 1.762 251 C CB 0.045 27.854 27.740 0.116 0.000 2.365 251 C HN 0.740 nan 8.230 nan 0.000 0.527 252 R N 2.400 122.943 120.500 0.072 0.000 2.573 252 R HA 0.283 4.623 4.340 -0.000 0.000 0.272 252 R C 0.311 176.656 176.300 0.074 0.000 1.009 252 R CA -0.405 55.751 56.100 0.093 0.000 1.059 252 R CB 0.264 30.583 30.300 0.032 0.000 1.112 252 R HN 0.780 nan 8.270 nan 0.000 0.517 253 N N -1.314 117.436 118.700 0.083 0.000 2.754 253 N HA -0.191 4.548 4.740 -0.000 0.000 0.248 253 N C -1.092 174.446 175.510 0.047 0.000 1.093 253 N CA 1.178 54.259 53.050 0.051 0.000 0.699 253 N CB -0.936 37.567 38.487 0.026 0.000 1.016 253 N HN 0.742 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 0.713 5.033 4.320 -0.000 0.000 0.327 254 A C 0.200 177.788 177.584 0.007 0.000 1.112 254 A CA -0.381 51.682 52.037 0.043 0.000 0.865 254 A CB 1.129 20.166 19.000 0.063 0.000 1.227 254 A HN 0.216 nan 8.150 nan 0.000 0.498 255 Q N 0.569 120.366 119.800 -0.005 0.000 2.771 255 Q HA 0.306 4.646 4.340 -0.000 0.000 0.247 255 Q C -2.274 173.709 176.000 -0.028 0.000 0.986 255 Q CA -1.771 54.018 55.803 -0.023 0.000 0.713 255 Q CB 1.245 29.974 28.738 -0.016 0.000 1.241 255 Q HN 0.441 nan 8.270 nan 0.000 0.488 256 P HA -0.245 nan 4.420 nan 0.000 0.218 256 P C 0.645 177.928 177.300 -0.028 0.000 1.154 256 P CA 1.795 64.859 63.100 -0.061 0.000 0.872 256 P CB 0.180 31.802 31.700 -0.130 0.000 0.790 257 D N -1.332 119.054 120.400 -0.024 0.000 2.384 257 D HA -0.125 4.515 4.640 -0.000 0.000 0.222 257 D C 1.181 177.509 176.300 0.047 0.000 0.976 257 D CA 1.555 55.557 54.000 0.004 0.000 0.915 257 D CB -1.554 39.247 40.800 0.002 0.000 0.896 257 D HN 0.258 nan 8.370 nan 0.000 0.523 258 T N -2.678 111.901 114.554 0.042 0.000 3.107 258 T HA 0.218 4.568 4.350 -0.000 0.000 0.249 258 T C 1.203 175.962 174.700 0.100 0.000 1.096 258 T CA -0.279 61.866 62.100 0.075 0.000 1.012 258 T CB -0.300 68.566 68.868 -0.005 0.000 0.977 258 T HN 0.203 nan 8.240 nan 0.000 0.527 259 L N 0.562 121.820 121.223 0.059 0.000 3.366 259 L HA 0.367 4.707 4.340 -0.000 0.000 0.304 259 L C 0.830 177.714 176.870 0.024 0.000 1.292 259 L CA -0.326 54.536 54.840 0.037 0.000 1.012 259 L CB 0.536 42.612 42.059 0.029 0.000 1.414 259 L HN -0.013 nan 8.230 nan 0.000 0.603 260 D N 1.620 122.032 120.400 0.020 0.000 2.126 260 D HA -0.240 4.400 4.640 -0.000 0.000 0.190 260 D C 2.146 178.451 176.300 0.009 0.000 1.001 260 D CA 1.841 55.843 54.000 0.005 0.000 0.841 260 D CB 0.199 40.990 40.800 -0.015 0.000 0.949 260 D HN 0.408 nan 8.370 nan 0.000 0.446 261 A N 0.741 123.555 122.820 -0.010 0.000 1.883 261 A HA -0.159 4.160 4.320 -0.000 0.000 0.217 261 A C 2.633 180.243 177.584 0.044 0.000 1.186 261 A CA 1.625 53.669 52.037 0.013 0.000 0.624 261 A CB -0.865 18.132 19.000 -0.005 0.000 0.822 261 A HN 0.161 nan 8.150 nan 0.000 0.444 262 V N 0.224 120.126 119.914 -0.020 0.000 2.295 262 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 262 V C 2.571 178.767 176.094 0.171 0.000 1.049 262 V CA 1.979 64.297 62.300 0.031 0.000 1.024 262 V CB -0.775 31.044 31.823 -0.006 0.000 0.648 262 V HN 0.567 nan 8.190 nan 0.000 0.447 263 L N 0.004 121.294 121.223 0.112 0.000 2.083 263 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 263 L C 2.723 179.662 176.870 0.116 0.000 1.083 263 L CA 1.452 56.361 54.840 0.116 0.000 0.752 263 L CB -0.843 41.255 42.059 0.066 0.000 0.899 263 L HN 0.370 nan 8.230 nan 0.000 0.433 264 A N -0.033 122.843 122.820 0.093 0.000 1.902 264 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 264 A C 2.295 179.946 177.584 0.112 0.000 1.181 264 A CA 1.657 53.743 52.037 0.082 0.000 0.623 264 A CB -0.305 18.728 19.000 0.055 0.000 0.818 264 A HN 0.150 nan 8.150 nan 0.000 0.443 265 K N -0.181 120.310 120.400 0.152 0.000 2.097 265 K HA 0.114 4.434 4.320 -0.000 0.000 0.205 265 K C 1.741 178.524 176.600 0.305 0.000 1.050 265 K CA 0.899 57.305 56.287 0.198 0.000 0.938 265 K CB -0.465 32.123 32.500 0.148 0.000 0.718 265 K HN 0.506 nan 8.250 nan 0.000 0.442 266 L N 0.008 121.432 121.223 0.335 0.000 2.093 266 L HA -0.145 4.194 4.340 -0.000 0.000 0.208 266 L C 2.294 179.257 176.870 0.155 0.000 1.085 266 L CA 1.181 56.177 54.840 0.260 0.000 0.755 266 L CB -0.248 41.944 42.059 0.222 0.000 0.904 266 L HN 0.149 nan 8.230 nan 0.000 0.435 267 R N -0.007 120.572 120.500 0.132 0.000 2.092 267 R HA -0.159 4.180 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 1.192 57.350 56.100 0.097 0.000 0.970 267 R CB -0.230 30.119 30.300 0.081 0.000 0.864 267 R HN 0.428 nan 8.270 nan 0.000 0.440 268 E N 0.356 120.616 120.200 0.099 0.000 2.204 268 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 268 E C 1.648 178.299 176.600 0.084 0.000 0.990 268 E CA 0.997 57.447 56.400 0.082 0.000 0.821 268 E CB 0.040 29.787 29.700 0.079 0.000 0.750 268 E HN 0.336 nan 8.360 nan 0.000 0.477 269 A N -0.252 122.632 122.820 0.105 0.000 2.208 269 A HA 0.205 4.524 4.320 -0.000 0.000 0.209 269 A C 1.656 179.278 177.584 0.063 0.000 1.161 269 A CA 0.949 53.036 52.037 0.085 0.000 0.782 269 A CB -0.010 19.045 19.000 0.092 0.000 0.816 269 A HN 0.343 nan 8.150 nan 0.000 0.477 270 G N -2.452 106.389 108.800 0.069 0.000 2.168 270 G HA2 0.185 4.144 3.960 -0.000 0.000 0.197 270 G HA3 0.185 4.144 3.960 -0.000 0.000 0.197 270 G C 0.313 175.258 174.900 0.074 0.000 0.997 270 G CA 0.067 45.207 45.100 0.067 0.000 0.658 270 G HN 1.442 nan 8.290 nan 0.000 0.513 271 A N 0.156 123.018 122.820 0.069 0.000 2.388 271 A HA 0.576 4.896 4.320 -0.000 0.000 0.257 271 A C 0.102 177.729 177.584 0.073 0.000 1.095 271 A CA 0.527 52.598 52.037 0.057 0.000 0.791 271 A CB 0.605 19.636 19.000 0.051 0.000 1.029 271 A HN 0.519 nan 8.150 nan 0.000 0.489 272 D N 2.051 122.488 120.400 0.061 0.000 2.428 272 D HA 0.450 5.090 4.640 -0.000 0.000 0.221 272 D C -0.589 175.754 176.300 0.072 0.000 1.123 272 D CA 0.080 54.139 54.000 0.098 0.000 0.869 272 D CB -0.050 40.861 40.800 0.186 0.000 1.032 272 D HN 0.350 nan 8.370 nan 0.000 0.506 273 I N 2.858 123.477 120.570 0.082 0.000 2.441 273 I HA 0.378 4.548 4.170 -0.000 0.000 0.295 273 I C 0.226 176.395 176.117 0.087 0.000 0.994 273 I CA -0.781 60.569 61.300 0.083 0.000 1.144 273 I CB 1.766 39.809 38.000 0.072 0.000 1.314 273 I HN 0.259 nan 8.210 nan 0.000 0.445 274 E N 3.322 123.593 120.200 0.118 0.000 2.317 274 E HA 0.559 4.909 4.350 -0.000 0.000 0.270 274 E C -1.053 175.533 176.600 -0.024 0.000 0.885 274 E CA -0.776 55.692 56.400 0.114 0.000 0.760 274 E CB 2.665 32.524 29.700 0.265 0.000 1.227 274 E HN 0.670 nan 8.360 nan 0.000 0.434 275 T N -1.234 113.145 114.554 -0.292 0.000 2.906 275 T HA 0.815 5.165 4.350 -0.000 0.000 0.295 275 T C 0.142 174.128 174.700 -1.191 0.000 1.075 275 T CA -0.752 60.913 62.100 -0.725 0.000 1.005 275 T CB 1.903 70.540 68.868 -0.386 0.000 1.136 275 T HN 0.496 nan 8.240 nan 0.000 0.498 276 G N 0.069 107.766 108.800 -1.838 0.000 3.251 276 G HA2 0.495 4.454 3.960 -0.000 0.000 0.248 276 G HA3 0.495 4.454 3.960 -0.000 0.000 0.248 276 G C 0.287 174.779 174.900 -0.679 0.000 1.320 276 G CA -0.473 43.792 45.100 -1.392 0.000 0.982 276 G HN 0.715 nan 8.290 nan 0.000 0.575 277 E N -0.361 119.651 120.200 -0.314 0.000 2.072 277 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 277 E C 0.858 177.382 176.600 -0.127 0.000 0.985 277 E CA 1.976 58.293 56.400 -0.138 0.000 0.801 277 E CB 0.155 29.848 29.700 -0.011 0.000 0.750 277 E HN 0.466 nan 8.360 nan 0.000 0.452 278 D N -1.067 119.284 120.400 -0.082 0.000 2.760 278 D HA 0.075 4.715 4.640 -0.000 0.000 0.314 278 D C -0.513 175.858 176.300 0.118 0.000 1.464 278 D CA -0.587 53.420 54.000 0.011 0.000 0.797 278 D CB -0.869 39.977 40.800 0.078 0.000 1.149 278 D HN 0.301 nan 8.370 nan 0.000 0.455 279 W N -0.203 121.100 121.300 0.006 0.000 3.146 279 W HA 0.673 5.333 4.660 -0.000 0.000 0.319 279 W C -2.126 174.402 176.519 0.014 0.000 1.258 279 W CA -1.269 56.079 57.345 0.006 0.000 1.189 279 W CB 0.462 29.922 29.460 0.000 0.000 1.412 279 W HN -0.277 nan 8.180 nan 0.000 0.567 280 I N 2.829 123.596 120.570 0.328 0.000 2.619 280 I HA 0.344 4.513 4.170 -0.000 0.000 0.292 280 I C -0.266 176.080 176.117 0.382 0.000 1.100 280 I CA -0.738 60.682 61.300 0.199 0.000 1.043 280 I CB 2.618 40.666 38.000 0.081 0.000 1.239 280 I HN 0.458 nan 8.210 nan 0.000 0.420 281 S N 6.722 122.653 115.700 0.384 0.000 2.513 281 S HA 0.838 5.308 4.470 -0.000 0.000 0.299 281 S C -1.064 173.630 174.600 0.156 0.000 1.087 281 S CA -0.736 57.627 58.200 0.273 0.000 1.012 281 S CB 2.274 65.656 63.200 0.305 0.000 1.044 281 S HN 0.643 nan 8.310 nan 0.000 0.485 282 L N 2.225 123.501 121.223 0.089 0.000 2.410 282 L HA 0.673 5.013 4.340 -0.000 0.000 0.270 282 L C -1.904 174.950 176.870 -0.026 0.000 0.983 282 L CA -0.302 54.563 54.840 0.042 0.000 0.822 282 L CB 1.875 43.966 42.059 0.052 0.000 1.285 282 L HN 0.830 nan 8.230 nan 0.000 0.409 283 D N 4.888 125.225 120.400 -0.105 0.000 2.696 283 D HA 0.280 4.920 4.640 -0.000 0.000 0.251 283 D C 0.271 176.359 176.300 -0.354 0.000 1.188 283 D CA -0.427 53.402 54.000 -0.285 0.000 0.876 283 D CB 1.903 42.413 40.800 -0.482 0.000 1.334 283 D HN 0.489 nan 8.370 nan 0.000 0.540 284 M N 1.579 121.041 119.600 -0.230 0.000 2.541 284 M HA 0.020 4.500 4.480 -0.000 0.000 0.252 284 M C 0.140 176.420 176.300 -0.032 0.000 1.125 284 M CA 0.324 55.563 55.300 -0.103 0.000 1.091 284 M CB -0.668 31.910 32.600 -0.036 0.000 1.420 284 M HN 0.489 nan 8.290 nan 0.000 0.486 285 H N 0.019 119.101 119.070 0.020 0.000 2.770 285 H HA -0.150 4.405 4.556 -0.001 0.000 0.309 285 H C 1.318 176.653 175.328 0.012 0.000 1.206 285 H CA 0.889 56.947 56.048 0.016 0.000 1.147 285 H CB -2.253 27.519 29.762 0.018 0.000 1.422 285 H HN 0.632 nan 8.280 nan 0.000 0.420 286 G N -0.418 108.424 108.800 0.070 0.000 2.186 286 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.266 286 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.266 286 G C 0.397 175.325 174.900 0.046 0.000 0.982 286 G CA 0.914 46.043 45.100 0.048 0.000 0.670 286 G HN 0.401 nan 8.290 nan 0.000 0.533 287 K N 0.318 120.753 120.400 0.059 0.000 2.249 287 K HA 0.344 4.664 4.320 -0.000 0.000 0.280 287 K C 0.755 177.372 176.600 0.029 0.000 1.033 287 K CA -0.772 55.545 56.287 0.050 0.000 0.946 287 K CB 1.226 33.769 32.500 0.070 0.000 1.005 287 K HN 0.472 nan 8.250 nan 0.000 0.469 288 R N 3.679 124.192 120.500 0.022 0.000 2.543 288 R HA 0.116 4.456 4.340 -0.000 0.000 0.277 288 R C -1.958 174.351 176.300 0.015 0.000 1.074 288 R CA -1.013 55.094 56.100 0.013 0.000 1.076 288 R CB 0.330 30.637 30.300 0.012 0.000 0.993 288 R HN 0.367 nan 8.270 nan 0.000 0.459 289 P HA 0.069 nan 4.420 nan 0.000 0.272 289 P C -1.267 176.044 177.300 0.017 0.000 1.223 289 P CA -0.091 63.014 63.100 0.008 0.000 0.784 289 P CB 0.741 32.431 31.700 -0.015 0.000 0.923 290 K N 1.039 121.456 120.400 0.028 0.000 2.183 290 K HA 0.479 4.799 4.320 -0.000 0.000 0.274 290 K C 0.252 176.873 176.600 0.036 0.000 1.009 290 K CA -0.627 55.680 56.287 0.033 0.000 0.888 290 K CB 1.367 33.890 32.500 0.038 0.000 1.078 290 K HN 0.559 nan 8.250 nan 0.000 0.459 291 A N 2.309 125.147 122.820 0.031 0.000 2.531 291 A HA 0.262 4.581 4.320 -0.000 0.000 0.236 291 A C 0.377 177.984 177.584 0.038 0.000 1.062 291 A CA -0.212 51.842 52.037 0.029 0.000 0.760 291 A CB -0.047 18.964 19.000 0.018 0.000 0.995 291 A HN 0.555 nan 8.150 nan 0.000 0.501 292 V N -0.423 119.519 119.914 0.048 0.000 3.102 292 V HA 0.882 5.001 4.120 -0.000 0.000 0.312 292 V C -0.124 175.969 176.094 -0.001 0.000 1.135 292 V CA -0.594 61.732 62.300 0.043 0.000 1.022 292 V CB 1.780 33.663 31.823 0.101 0.000 1.056 292 V HN 0.785 nan 8.190 nan 0.000 0.436 293 T N 1.869 116.404 114.554 -0.033 0.000 2.779 293 T HA 0.741 5.091 4.350 -0.000 0.000 0.280 293 T C -0.588 174.024 174.700 -0.146 0.000 0.987 293 T CA -0.279 61.778 62.100 -0.071 0.000 0.966 293 T CB 1.321 70.160 68.868 -0.049 0.000 0.933 293 T HN 0.761 nan 8.240 nan 0.000 0.442 294 V N 3.505 123.289 119.914 -0.216 0.000 2.823 294 V HA 0.693 4.812 4.120 -0.000 0.000 0.312 294 V C -0.257 175.680 176.094 -0.262 0.000 1.072 294 V CA -1.090 60.970 62.300 -0.400 0.000 0.937 294 V CB 2.266 33.603 31.823 -0.811 0.000 1.013 294 V HN 0.795 nan 8.190 nan 0.000 0.430 295 R N 2.107 122.470 120.500 -0.229 0.000 2.575 295 R HA 0.452 4.791 4.340 -0.000 0.000 0.292 295 R C -0.173 176.117 176.300 -0.016 0.000 1.246 295 R CA -0.245 55.803 56.100 -0.086 0.000 0.973 295 R CB 1.460 31.732 30.300 -0.047 0.000 1.187 295 R HN 0.929 nan 8.270 nan 0.000 0.478 296 T N 1.089 115.672 114.554 0.049 0.000 2.903 296 T HA 0.606 4.956 4.350 -0.000 0.000 0.314 296 T C 0.307 175.058 174.700 0.086 0.000 1.078 296 T CA 0.128 62.331 62.100 0.173 0.000 1.114 296 T CB 1.464 70.446 68.868 0.191 0.000 0.987 296 T HN 0.747 nan 8.240 nan 0.000 0.548 297 A N 2.570 125.441 122.820 0.086 0.000 2.515 297 A HA 0.711 5.031 4.320 -0.000 0.000 0.292 297 A C -3.154 174.448 177.584 0.030 0.000 1.065 297 A CA -1.672 50.383 52.037 0.029 0.000 0.641 297 A CB 0.131 19.142 19.000 0.018 0.000 1.306 297 A HN 0.658 nan 8.150 nan 0.000 0.441 298 P HA 0.268 nan 4.420 nan 0.000 0.268 298 P C -0.342 176.994 177.300 0.059 0.000 1.208 298 P CA 0.351 63.471 63.100 0.034 0.000 0.777 298 P CB 0.156 31.866 31.700 0.016 0.000 0.875 299 H N 4.037 123.103 119.070 -0.008 0.000 3.016 299 H HA 0.002 4.558 4.556 -0.000 0.000 0.345 299 H C -1.200 174.124 175.328 -0.007 0.000 1.066 299 H CA -0.610 55.431 56.048 -0.011 0.000 1.390 299 H CB 0.214 29.970 29.762 -0.010 0.000 1.344 299 H HN 0.323 nan 8.280 nan 0.000 0.605 300 P HA 0.123 nan 4.420 nan 0.000 0.255 300 P C -0.388 176.690 177.300 -0.369 0.000 1.357 300 P CA 0.200 62.695 63.100 -1.008 0.000 0.839 300 P CB -0.074 31.194 31.700 -0.720 0.000 1.356 301 A N 0.489 123.213 122.820 -0.159 0.000 2.262 301 A HA 0.242 4.562 4.320 -0.000 0.000 0.273 301 A C -0.216 177.378 177.584 0.017 0.000 1.202 301 A CA -0.556 51.459 52.037 -0.037 0.000 0.811 301 A CB -0.549 18.454 19.000 0.005 0.000 1.159 301 A HN 0.176 nan 8.150 nan 0.000 0.505 302 F N 1.888 121.795 119.950 -0.072 0.000 2.571 302 F HA 0.260 4.786 4.527 -0.001 0.000 0.384 302 F C -1.619 174.158 175.800 -0.038 0.000 1.058 302 F CA -1.477 56.470 58.000 -0.089 0.000 1.200 302 F CB 0.538 39.448 39.000 -0.149 0.000 1.077 302 F HN 0.262 nan 8.300 nan 0.000 0.558 303 P HA -0.026 nan 4.420 nan 0.000 0.276 303 P C 0.300 177.578 177.300 -0.037 0.000 1.230 303 P CA -0.056 62.946 63.100 -0.163 0.000 0.776 303 P CB 1.539 33.120 31.700 -0.198 0.000 0.888 304 T N 2.075 116.703 114.554 0.123 0.000 2.881 304 T HA -0.123 4.226 4.350 -0.000 0.000 0.270 304 T C 1.712 176.519 174.700 0.178 0.000 1.068 304 T CA 1.554 63.785 62.100 0.217 0.000 1.131 304 T CB -0.595 68.428 68.868 0.258 0.000 0.871 304 T HN 0.446 nan 8.240 nan 0.000 0.479 305 A N 0.547 123.428 122.820 0.101 0.000 2.216 305 A HA 0.169 4.489 4.320 -0.000 0.000 0.214 305 A C 2.020 179.638 177.584 0.056 0.000 1.160 305 A CA 0.865 52.940 52.037 0.062 0.000 0.725 305 A CB -0.332 18.685 19.000 0.028 0.000 0.784 305 A HN 0.507 nan 8.150 nan 0.000 0.472 306 M N -1.323 118.308 119.600 0.052 0.000 2.308 306 M HA 0.084 4.564 4.480 -0.000 0.000 0.269 306 M C 1.819 178.368 176.300 0.415 0.000 1.040 306 M CA 0.332 55.710 55.300 0.131 0.000 1.024 306 M CB -0.145 32.369 32.600 -0.144 0.000 1.465 306 M HN 0.601 nan 8.290 nan 0.000 0.517 307 Q N 1.128 121.187 119.800 0.432 0.000 2.061 307 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 307 Q C 1.743 177.922 176.000 0.298 0.000 0.984 307 Q CA 2.274 58.354 55.803 0.462 0.000 0.846 307 Q CB 0.034 29.001 28.738 0.382 0.000 0.902 307 Q HN 0.459 nan 8.270 nan 0.000 0.421 308 A N 0.604 123.462 122.820 0.063 0.000 1.883 308 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 308 A C 2.017 179.539 177.584 -0.104 0.000 1.186 308 A CA 1.870 53.686 52.037 -0.368 0.000 0.624 308 A CB -0.603 18.020 19.000 -0.628 0.000 0.822 308 A HN 0.495 nan 8.150 nan 0.000 0.444 309 Q N -1.175 118.648 119.800 0.038 0.000 2.096 309 Q HA -0.102 4.238 4.340 -0.000 0.000 0.204 309 Q C 1.643 177.688 176.000 0.075 0.000 0.982 309 Q CA 1.725 57.555 55.803 0.045 0.000 0.850 309 Q CB -0.482 28.301 28.738 0.074 0.000 0.901 309 Q HN 0.688 nan 8.270 nan 0.000 0.422 310 F N -0.003 120.020 119.950 0.123 0.000 2.407 310 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 310 F C 2.074 177.912 175.800 0.063 0.000 1.097 310 F CA 1.042 59.114 58.000 0.119 0.000 1.422 310 F CB -0.188 38.922 39.000 0.184 0.000 1.067 310 F HN 0.024 nan 8.300 nan 0.000 0.539 311 T N 0.431 115.126 114.554 0.235 0.000 2.777 311 T HA -0.181 4.168 4.350 -0.000 0.000 0.266 311 T C 2.024 176.779 174.700 0.092 0.000 1.040 311 T CA 1.258 63.463 62.100 0.174 0.000 1.141 311 T CB -0.505 68.566 68.868 0.338 0.000 0.868 311 T HN 0.147 nan 8.240 nan 0.000 0.444 312 L N 1.444 122.711 121.223 0.072 0.000 1.989 312 L HA 0.021 4.360 4.340 -0.000 0.000 0.211 312 L C 2.248 179.101 176.870 -0.028 0.000 1.071 312 L CA 1.576 56.425 54.840 0.014 0.000 0.749 312 L CB -1.005 41.044 42.059 -0.016 0.000 0.890 312 L HN 0.264 nan 8.230 nan 0.000 0.431 313 L N -0.285 120.893 121.223 -0.074 0.000 2.021 313 L HA -0.312 4.028 4.340 -0.000 0.000 0.215 313 L C 2.281 179.123 176.870 -0.046 0.000 1.074 313 L CA 2.039 56.812 54.840 -0.113 0.000 0.760 313 L CB -0.583 41.312 42.059 -0.273 0.000 0.889 313 L HN 0.428 nan 8.230 nan 0.000 0.433 314 N N -0.100 118.596 118.700 -0.006 0.000 2.166 314 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 314 N C 1.824 177.326 175.510 -0.012 0.000 1.019 314 N CA 1.394 54.445 53.050 0.002 0.000 0.856 314 N CB -0.388 38.103 38.487 0.007 0.000 0.993 314 N HN 0.383 nan 8.380 nan 0.000 0.426 315 L N 0.451 121.664 121.223 -0.016 0.000 2.353 315 L HA -0.055 4.284 4.340 -0.000 0.000 0.220 315 L C 1.354 178.212 176.870 -0.021 0.000 1.133 315 L CA 0.615 55.442 54.840 -0.021 0.000 0.798 315 L CB -0.077 41.967 42.059 -0.025 0.000 0.922 315 L HN 0.090 nan 8.230 nan 0.000 0.445 316 V N -4.784 115.117 119.914 -0.022 0.000 3.159 316 V HA 0.545 4.665 4.120 -0.000 0.000 0.333 316 V C 0.627 176.715 176.094 -0.011 0.000 1.424 316 V CA -0.284 62.004 62.300 -0.021 0.000 1.125 316 V CB -0.216 31.589 31.823 -0.029 0.000 1.075 316 V HN 0.095 nan 8.190 nan 0.000 0.482 317 A N 0.528 123.346 122.820 -0.004 0.000 2.256 317 A HA 0.783 5.102 4.320 -0.000 0.000 0.318 317 A C -0.121 177.474 177.584 0.018 0.000 1.103 317 A CA -0.528 51.512 52.037 0.005 0.000 0.860 317 A CB 1.094 20.098 19.000 0.006 0.000 1.182 317 A HN 0.455 nan 8.150 nan 0.000 0.501 318 E N -0.269 119.944 120.200 0.021 0.000 2.194 318 E HA 0.492 4.842 4.350 -0.000 0.000 0.284 318 E C 0.420 177.039 176.600 0.032 0.000 1.035 318 E CA 1.342 57.758 56.400 0.027 0.000 0.836 318 E CB 0.228 29.943 29.700 0.025 0.000 1.070 318 E HN 1.603 nan 8.360 nan 0.000 0.401 319 G N 2.653 111.479 108.800 0.042 0.000 2.422 319 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.607 319 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.607 319 G C -0.736 174.197 174.900 0.055 0.000 1.270 319 G CA -0.498 44.629 45.100 0.046 0.000 0.992 319 G HN 0.513 nan 8.290 nan 0.000 0.499 320 T N 1.236 115.820 114.554 0.050 0.000 2.753 320 T HA 0.630 4.980 4.350 -0.000 0.000 0.297 320 T C 0.695 175.381 174.700 -0.024 0.000 0.981 320 T CA 0.551 62.666 62.100 0.026 0.000 0.956 320 T CB 1.091 70.002 68.868 0.073 0.000 0.936 320 T HN 1.393 nan 8.240 nan 0.000 0.463 321 G N 1.865 110.628 108.800 -0.061 0.000 2.371 321 G HA2 0.601 4.560 3.960 -0.000 0.000 0.326 321 G HA3 0.601 4.560 3.960 -0.000 0.000 0.326 321 G C -0.950 173.896 174.900 -0.090 0.000 1.127 321 G CA -0.472 44.596 45.100 -0.053 0.000 0.885 321 G HN 0.624 nan 8.290 nan 0.000 0.477 322 V N 2.925 122.796 119.914 -0.071 0.000 2.487 322 V HA 0.447 4.567 4.120 -0.000 0.000 0.298 322 V C -0.259 175.792 176.094 -0.071 0.000 1.028 322 V CA -0.551 61.701 62.300 -0.079 0.000 0.860 322 V CB 1.462 33.249 31.823 -0.059 0.000 0.991 322 V HN 0.624 nan 8.190 nan 0.000 0.427 323 I N 3.530 124.061 120.570 -0.065 0.000 2.406 323 I HA 0.471 4.640 4.170 -0.000 0.000 0.290 323 I C -0.174 175.990 176.117 0.078 0.000 0.999 323 I CA -0.204 61.079 61.300 -0.027 0.000 1.124 323 I CB 2.208 40.212 38.000 0.006 0.000 1.289 323 I HN 0.501 nan 8.210 nan 0.000 0.441 324 T N 4.259 118.851 114.554 0.065 0.000 2.809 324 T HA 0.230 4.580 4.350 -0.000 0.000 0.296 324 T C -0.354 174.410 174.700 0.107 0.000 1.015 324 T CA -0.458 61.712 62.100 0.117 0.000 0.954 324 T CB 1.100 69.996 68.868 0.045 0.000 0.950 324 T HN 0.432 nan 8.240 nan 0.000 0.450 325 E N 2.320 122.604 120.200 0.139 0.000 2.167 325 E HA 0.322 4.672 4.350 -0.000 0.000 0.284 325 E C 0.971 177.552 176.600 -0.031 0.000 1.016 325 E CA -0.422 55.995 56.400 0.028 0.000 0.817 325 E CB 0.676 30.292 29.700 -0.141 0.000 1.080 325 E HN 0.643 nan 8.360 nan 0.000 0.397 326 T N 2.096 116.636 114.554 -0.024 0.000 3.044 326 T HA 0.194 4.544 4.350 -0.000 0.000 0.260 326 T C 1.095 175.726 174.700 -0.116 0.000 1.019 326 T CA -0.189 61.877 62.100 -0.057 0.000 0.921 326 T CB -0.001 68.843 68.868 -0.039 0.000 1.053 326 T HN 0.395 nan 8.240 nan 0.000 0.533 327 I N -0.164 120.314 120.570 -0.153 0.000 2.729 327 I HA 0.405 4.575 4.170 -0.000 0.000 0.256 327 I C 0.108 175.863 176.117 -0.603 0.000 1.115 327 I CA 0.028 61.098 61.300 -0.384 0.000 1.446 327 I CB -0.582 37.163 38.000 -0.425 0.000 1.176 327 I HN 0.204 nan 8.210 nan 0.000 0.446 328 F N 2.332 122.242 119.950 -0.067 0.000 2.482 328 F HA 0.240 4.767 4.527 0.000 0.000 0.331 328 F C 1.606 177.326 175.800 -0.134 0.000 1.115 328 F CA -0.785 57.165 58.000 -0.084 0.000 0.955 328 F CB 1.258 40.215 39.000 -0.071 0.000 1.136 328 F HN 0.007 nan 8.300 nan 0.000 0.452 329 E N 0.827 121.067 120.200 0.066 0.000 2.338 329 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 329 E C -0.088 176.477 176.600 -0.059 0.000 1.007 329 E CA 1.048 57.435 56.400 -0.022 0.000 0.849 329 E CB -0.181 29.516 29.700 -0.005 0.000 0.774 329 E HN 0.573 nan 8.360 nan 0.000 0.506 330 N N 0.172 118.851 118.700 -0.035 0.000 2.703 330 N HA 0.139 4.878 4.740 -0.000 0.000 0.283 330 N C -0.845 174.625 175.510 -0.068 0.000 1.851 330 N CA -0.298 52.716 53.050 -0.061 0.000 0.826 330 N CB 0.495 38.971 38.487 -0.018 0.000 1.239 330 N HN -0.037 nan 8.380 nan 0.000 0.495 331 R N 1.031 121.433 120.500 -0.163 0.000 2.865 331 R HA 0.337 4.677 4.340 -0.000 0.000 0.370 331 R C -0.561 175.832 176.300 0.155 0.000 1.168 331 R CA -0.034 56.043 56.100 -0.038 0.000 1.058 331 R CB -0.143 30.157 30.300 0.000 0.000 1.419 331 R HN 0.342 nan 8.270 nan 0.000 0.580 332 F N -0.242 119.749 119.950 0.070 0.000 2.735 332 F HA 0.165 4.692 4.527 -0.001 0.000 0.308 332 F C 1.306 176.978 175.800 -0.214 0.000 1.112 332 F CA -0.483 57.452 58.000 -0.108 0.000 1.235 332 F CB 0.703 39.645 39.000 -0.098 0.000 1.027 332 F HN 0.077 nan 8.300 nan 0.000 0.528 333 M N 0.176 119.862 119.600 0.142 0.000 2.358 333 M HA -0.186 4.294 4.480 -0.000 0.000 0.264 333 M C 2.356 178.677 176.300 0.035 0.000 1.064 333 M CA 1.308 56.646 55.300 0.064 0.000 1.093 333 M CB -0.556 32.076 32.600 0.054 0.000 1.401 333 M HN 0.314 nan 8.290 nan 0.000 0.440 334 H N -1.187 117.909 119.070 0.043 0.000 2.470 334 H HA 0.060 4.616 4.556 -0.001 0.000 0.289 334 H C 2.060 177.391 175.328 0.006 0.000 1.033 334 H CA 0.954 57.009 56.048 0.011 0.000 1.331 334 H CB -1.201 28.570 29.762 0.015 0.000 1.414 334 H HN 0.212 nan 8.280 nan 0.000 0.545 335 V N 2.550 122.181 119.914 -0.472 0.000 2.252 335 V HA -0.201 3.918 4.120 -0.000 0.000 0.249 335 V C -0.258 175.760 176.094 -0.125 0.000 1.056 335 V CA 2.486 64.605 62.300 -0.302 0.000 1.022 335 V CB -1.436 30.164 31.823 -0.371 0.000 0.641 335 V HN 0.410 nan 8.190 nan 0.000 0.445 336 P HA -0.108 nan 4.420 nan 0.000 0.218 336 P C 1.544 178.831 177.300 -0.022 0.000 1.149 336 P CA 1.117 64.193 63.100 -0.039 0.000 0.817 336 P CB -0.003 31.683 31.700 -0.023 0.000 0.785 337 E N -0.425 119.765 120.200 -0.016 0.000 2.046 337 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 337 E C 2.117 178.714 176.600 -0.004 0.000 0.982 337 E CA 0.903 57.302 56.400 -0.002 0.000 0.800 337 E CB -0.954 28.753 29.700 0.011 0.000 0.756 337 E HN 0.307 nan 8.360 nan 0.000 0.449 338 L N 0.628 121.849 121.223 -0.004 0.000 2.131 338 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 338 L C 2.475 179.327 176.870 -0.030 0.000 1.092 338 L CA 0.655 55.488 54.840 -0.011 0.000 0.759 338 L CB -0.355 41.705 42.059 0.001 0.000 0.903 338 L HN 0.078 nan 8.230 nan 0.000 0.435 339 I N -0.504 120.050 120.570 -0.028 0.000 2.361 339 I HA -0.272 3.897 4.170 -0.000 0.000 0.251 339 I C 2.610 178.717 176.117 -0.015 0.000 1.133 339 I CA 1.100 62.389 61.300 -0.019 0.000 1.413 339 I CB -0.245 37.756 38.000 0.002 0.000 1.073 339 I HN 0.208 nan 8.210 nan 0.000 0.424 340 R N 0.220 120.713 120.500 -0.011 0.000 2.148 340 R HA -0.050 4.290 4.340 -0.000 0.000 0.227 340 R C 1.821 178.112 176.300 -0.016 0.000 1.103 340 R CA 1.053 57.149 56.100 -0.007 0.000 0.983 340 R CB -0.101 30.198 30.300 -0.002 0.000 0.874 340 R HN 0.352 nan 8.270 nan 0.000 0.451 341 M N -0.686 118.899 119.600 -0.026 0.000 2.505 341 M HA 0.150 4.630 4.480 -0.000 0.000 0.230 341 M C 0.641 176.903 176.300 -0.063 0.000 1.153 341 M CA 0.413 55.692 55.300 -0.035 0.000 0.997 341 M CB 1.189 33.771 32.600 -0.029 0.000 1.606 341 M HN 0.417 nan 8.290 nan 0.000 0.481 342 G N 0.352 109.102 108.800 -0.083 0.000 2.175 342 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 342 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 342 G C 0.201 174.895 174.900 -0.343 0.000 0.982 342 G CA -0.032 44.970 45.100 -0.163 0.000 0.641 342 G HN 0.658 nan 8.290 nan 0.000 0.527 343 A N -0.180 122.505 122.820 -0.226 0.000 2.366 343 A HA 0.685 5.005 4.320 -0.000 0.000 0.249 343 A C 0.015 177.470 177.584 -0.215 0.000 1.084 343 A CA 0.223 52.124 52.037 -0.226 0.000 0.794 343 A CB 0.307 19.251 19.000 -0.093 0.000 1.034 343 A HN 0.683 nan 8.150 nan 0.000 0.491 344 H N -0.432 118.652 119.070 0.024 0.000 2.658 344 H HA 0.628 5.183 4.556 -0.000 0.000 0.337 344 H C -0.077 175.291 175.328 0.066 0.000 1.009 344 H CA 0.203 56.287 56.048 0.060 0.000 1.231 344 H CB 1.741 31.561 29.762 0.098 0.000 1.508 344 H HN 1.016 nan 8.280 nan 0.000 0.517 345 A N 2.878 125.799 122.820 0.167 0.000 2.597 345 A HA 0.557 4.877 4.320 -0.000 0.000 0.292 345 A C -1.510 176.076 177.584 0.002 0.000 1.057 345 A CA -0.945 51.102 52.037 0.016 0.000 0.674 345 A CB 1.674 20.613 19.000 -0.101 0.000 1.278 345 A HN 0.626 nan 8.150 nan 0.000 0.416 346 E N 0.095 120.263 120.200 -0.053 0.000 2.293 346 E HA 0.666 5.015 4.350 -0.000 0.000 0.270 346 E C -1.222 175.318 176.600 -0.100 0.000 0.879 346 E CA -0.272 56.105 56.400 -0.038 0.000 0.756 346 E CB 2.210 31.921 29.700 0.017 0.000 1.208 346 E HN 0.524 nan 8.360 nan 0.000 0.428 347 I N 2.413 122.937 120.570 -0.076 0.000 2.339 347 I HA 0.291 4.461 4.170 -0.000 0.000 0.290 347 I C -0.455 175.668 176.117 0.011 0.000 0.994 347 I CA -0.648 60.611 61.300 -0.067 0.000 1.191 347 I CB 1.078 39.066 38.000 -0.020 0.000 1.343 347 I HN 0.236 nan 8.210 nan 0.000 0.458 348 E N 5.260 125.479 120.200 0.032 0.000 2.235 348 E HA 0.337 4.687 4.350 -0.000 0.000 0.252 348 E C 0.050 176.701 176.600 0.085 0.000 0.886 348 E CA -0.128 56.300 56.400 0.046 0.000 0.767 348 E CB 1.753 31.468 29.700 0.026 0.000 1.205 348 E HN 0.724 nan 8.360 nan 0.000 0.421 349 S N 3.841 119.593 115.700 0.086 0.000 4.114 349 S HA -0.294 4.176 4.470 -0.000 0.000 0.618 349 S C 0.686 175.374 174.600 0.147 0.000 1.937 349 S CA 1.831 60.082 58.200 0.085 0.000 4.228 349 S CB -1.033 62.200 63.200 0.055 0.000 0.216 349 S HN 0.751 nan 8.310 nan 0.000 0.528 350 N N 2.220 120.994 118.700 0.124 0.000 2.327 350 N HA 0.232 4.972 4.740 -0.000 0.000 0.231 350 N C -0.123 175.585 175.510 0.329 0.000 1.130 350 N CA 0.853 53.985 53.050 0.136 0.000 0.845 350 N CB 0.165 38.654 38.487 0.003 0.000 1.073 350 N HN 0.875 nan 8.380 nan 0.000 0.496 351 T N -1.985 112.799 114.554 0.384 0.000 2.933 351 T HA 0.513 4.862 4.350 -0.000 0.000 0.305 351 T C -0.958 173.749 174.700 0.013 0.000 1.092 351 T CA -0.669 61.592 62.100 0.268 0.000 1.008 351 T CB 1.672 70.602 68.868 0.103 0.000 1.102 351 T HN -0.030 nan 8.240 nan 0.000 0.469 352 V N 3.268 123.033 119.914 -0.249 0.000 2.398 352 V HA 0.587 4.707 4.120 -0.000 0.000 0.286 352 V C -0.089 175.856 176.094 -0.250 0.000 1.026 352 V CA -1.140 60.909 62.300 -0.418 0.000 0.868 352 V CB 1.050 32.458 31.823 -0.691 0.000 0.982 352 V HN 0.806 nan 8.190 nan 0.000 0.443 353 I N 3.459 123.894 120.570 -0.225 0.000 2.301 353 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 353 I C 0.156 176.019 176.117 -0.423 0.000 1.046 353 I CA -0.012 61.132 61.300 -0.261 0.000 1.282 353 I CB 0.714 38.601 38.000 -0.189 0.000 1.409 353 I HN 0.652 nan 8.210 nan 0.000 0.484 354 C N 6.331 125.388 119.300 -0.405 0.000 2.341 354 C HA 0.431 4.891 4.460 -0.000 0.000 0.338 354 C C 0.378 175.092 174.990 -0.459 0.000 1.257 354 C CA -0.542 58.259 59.018 -0.362 0.000 1.883 354 C CB 0.329 27.968 27.740 -0.169 0.000 2.334 354 C HN 0.606 nan 8.230 nan 0.000 0.524 355 H N 1.524 120.607 119.070 0.022 0.000 2.645 355 H HA 0.281 4.837 4.556 -0.000 0.000 0.257 355 H C 0.622 175.983 175.328 0.054 0.000 1.269 355 H CA -0.060 56.013 56.048 0.042 0.000 1.409 355 H CB 0.786 30.584 29.762 0.060 0.000 1.434 355 H HN 0.947 nan 8.280 nan 0.000 0.505 356 G N 1.746 110.605 108.800 0.099 0.000 2.391 356 G HA2 0.254 4.213 3.960 -0.000 0.000 0.234 356 G HA3 0.254 4.213 3.960 -0.000 0.000 0.234 356 G C 0.472 175.413 174.900 0.068 0.000 1.284 356 G CA -0.001 45.133 45.100 0.057 0.000 0.873 356 G HN 0.426 nan 8.290 nan 0.000 0.549 357 V N 0.125 120.054 119.914 0.024 0.000 3.046 357 V HA 0.634 4.754 4.120 -0.000 0.000 0.316 357 V C 1.104 177.197 176.094 -0.002 0.000 1.104 357 V CA -0.509 61.799 62.300 0.013 0.000 1.006 357 V CB 1.862 33.655 31.823 -0.050 0.000 1.058 357 V HN 0.767 nan 8.190 nan 0.000 0.440 358 E N 2.107 122.309 120.200 0.003 0.000 2.013 358 E HA -0.086 4.264 4.350 -0.000 0.000 0.202 358 E C 0.438 177.031 176.600 -0.012 0.000 1.018 358 E CA 2.026 58.426 56.400 -0.000 0.000 0.834 358 E CB 0.079 29.781 29.700 0.004 0.000 0.770 358 E HN 0.787 nan 8.360 nan 0.000 0.459 359 K N -0.641 119.747 120.400 -0.020 0.000 2.477 359 K HA 0.436 4.755 4.320 -0.000 0.000 0.255 359 K C -1.007 175.568 176.600 -0.040 0.000 0.952 359 K CA -0.718 55.554 56.287 -0.025 0.000 0.826 359 K CB 2.044 34.534 32.500 -0.017 0.000 1.331 359 K HN 0.025 nan 8.250 nan 0.000 0.437 360 L N 0.826 122.025 121.223 -0.041 0.000 2.387 360 L HA 0.431 4.771 4.340 -0.000 0.000 0.266 360 L C -0.161 176.688 176.870 -0.036 0.000 1.059 360 L CA -0.692 54.119 54.840 -0.049 0.000 0.801 360 L CB 1.811 43.843 42.059 -0.045 0.000 1.223 360 L HN 0.563 nan 8.230 nan 0.000 0.456 361 S N -0.067 115.612 115.700 -0.036 0.000 2.454 361 S HA 0.482 4.951 4.470 -0.000 0.000 0.306 361 S C 0.174 174.764 174.600 -0.017 0.000 1.100 361 S CA -0.706 57.481 58.200 -0.023 0.000 1.087 361 S CB 1.673 64.860 63.200 -0.021 0.000 1.019 361 S HN 0.769 nan 8.310 nan 0.000 0.480 362 G N 1.461 110.255 108.800 -0.011 0.000 2.491 362 G HA2 0.513 4.473 3.960 -0.000 0.000 0.238 362 G HA3 0.513 4.473 3.960 -0.000 0.000 0.238 362 G C -0.189 174.709 174.900 -0.003 0.000 1.277 362 G CA 0.175 45.271 45.100 -0.006 0.000 0.851 362 G HN 1.027 nan 8.290 nan 0.000 0.573 363 A N 1.620 124.441 122.820 0.001 0.000 2.511 363 A HA 0.657 4.977 4.320 -0.000 0.000 0.293 363 A C -0.732 176.856 177.584 0.008 0.000 1.098 363 A CA -0.777 51.262 52.037 0.003 0.000 0.643 363 A CB 0.764 19.764 19.000 -0.000 0.000 1.302 363 A HN 0.643 nan 8.150 nan 0.000 0.446 364 Q N 0.572 120.378 119.800 0.010 0.000 2.322 364 Q HA 0.500 4.840 4.340 -0.000 0.000 0.256 364 Q C -0.159 175.847 176.000 0.010 0.000 0.960 364 Q CA -0.516 55.295 55.803 0.013 0.000 0.934 364 Q CB 1.379 30.125 28.738 0.014 0.000 1.200 364 Q HN 0.911 nan 8.270 nan 0.000 0.435 365 V N -0.121 119.799 119.914 0.010 0.000 3.113 365 V HA 0.706 4.826 4.120 -0.000 0.000 0.316 365 V C -0.656 175.439 176.094 0.002 0.000 1.125 365 V CA -1.285 61.018 62.300 0.006 0.000 1.026 365 V CB 2.220 34.045 31.823 0.004 0.000 1.080 365 V HN 0.826 nan 8.190 nan 0.000 0.444 366 M N 2.671 122.269 119.600 -0.002 0.000 2.253 366 M HA 0.792 5.271 4.480 -0.000 0.000 0.314 366 M C -0.112 176.170 176.300 -0.030 0.000 1.019 366 M CA -0.637 54.658 55.300 -0.008 0.000 0.932 366 M CB 1.513 34.117 32.600 0.007 0.000 1.606 366 M HN 1.210 nan 8.290 nan 0.000 0.430 367 A N 2.884 125.671 122.820 -0.055 0.000 2.477 367 A HA 0.416 4.735 4.320 -0.000 0.000 0.246 367 A C 0.850 178.326 177.584 -0.181 0.000 1.078 367 A CA 0.263 52.230 52.037 -0.116 0.000 0.770 367 A CB -0.070 18.855 19.000 -0.126 0.000 1.011 367 A HN 0.962 nan 8.150 nan 0.000 0.494 368 T N -1.421 112.949 114.554 -0.306 0.000 2.955 368 T HA 0.357 4.707 4.350 -0.000 0.000 0.251 368 T C 0.044 174.309 174.700 -0.725 0.000 1.002 368 T CA 0.665 62.553 62.100 -0.354 0.000 0.970 368 T CB -0.387 68.399 68.868 -0.136 0.000 1.091 368 T HN 0.866 nan 8.240 nan 0.000 0.495 369 D N -0.817 119.115 120.400 -0.780 0.000 2.692 369 D HA 0.388 5.028 4.640 -0.000 0.000 0.290 369 D C 0.687 176.764 176.300 -0.372 0.000 1.281 369 D CA -0.929 52.694 54.000 -0.628 0.000 0.804 369 D CB 0.679 41.309 40.800 -0.284 0.000 1.331 369 D HN -0.102 nan 8.370 nan 0.000 0.432 370 L N 0.491 121.629 121.223 -0.142 0.000 1.963 370 L HA -0.109 4.231 4.340 -0.000 0.000 0.220 370 L C 1.969 178.853 176.870 0.023 0.000 1.076 370 L CA 1.912 56.753 54.840 0.001 0.000 0.772 370 L CB -0.669 41.414 42.059 0.039 0.000 0.892 370 L HN 0.483 nan 8.230 nan 0.000 0.435 371 R N -0.022 120.477 120.500 -0.002 0.000 2.148 371 R HA 0.052 4.392 4.340 -0.000 0.000 0.227 371 R C 2.153 178.398 176.300 -0.093 0.000 1.103 371 R CA 1.151 57.256 56.100 0.008 0.000 0.983 371 R CB -1.463 28.834 30.300 -0.005 0.000 0.874 371 R HN 0.587 nan 8.270 nan 0.000 0.451 372 A N 1.316 124.056 122.820 -0.132 0.000 1.898 372 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 372 A C 2.359 179.873 177.584 -0.117 0.000 1.181 372 A CA 1.804 53.758 52.037 -0.139 0.000 0.620 372 A CB -0.561 18.398 19.000 -0.068 0.000 0.819 372 A HN 0.438 nan 8.150 nan 0.000 0.442 373 S N 0.511 116.128 115.700 -0.138 0.000 2.370 373 S HA -0.066 4.404 4.470 -0.000 0.000 0.226 373 S C 2.111 176.624 174.600 -0.146 0.000 1.033 373 S CA 1.540 59.658 58.200 -0.137 0.000 1.011 373 S CB -0.800 62.314 63.200 -0.143 0.000 0.852 373 S HN 0.949 nan 8.310 nan 0.000 0.457 374 A N 1.547 124.251 122.820 -0.193 0.000 1.933 374 A HA 0.025 4.344 4.320 -0.000 0.000 0.218 374 A C 2.456 179.915 177.584 -0.208 0.000 1.175 374 A CA 1.799 53.645 52.037 -0.318 0.000 0.628 374 A CB -1.147 17.539 19.000 -0.524 0.000 0.814 374 A HN 0.576 nan 8.150 nan 0.000 0.444 375 S N -0.077 115.535 115.700 -0.148 0.000 2.368 375 S HA -0.054 4.416 4.470 -0.000 0.000 0.224 375 S C 1.784 176.343 174.600 -0.069 0.000 1.029 375 S CA 1.340 59.475 58.200 -0.108 0.000 0.988 375 S CB -0.407 62.723 63.200 -0.117 0.000 0.838 375 S HN 0.528 nan 8.310 nan 0.000 0.462 376 L N 1.012 122.203 121.223 -0.054 0.000 2.141 376 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 376 L C 2.263 179.121 176.870 -0.019 0.000 1.094 376 L CA 0.700 55.525 54.840 -0.025 0.000 0.763 376 L CB -0.611 41.435 42.059 -0.020 0.000 0.908 376 L HN 0.207 nan 8.230 nan 0.000 0.437 377 V N 0.155 120.052 119.914 -0.028 0.000 2.307 377 V HA -0.255 3.864 4.120 -0.000 0.000 0.245 377 V C 2.389 178.467 176.094 -0.027 0.000 1.045 377 V CA 1.453 63.760 62.300 0.012 0.000 1.024 377 V CB -0.264 31.589 31.823 0.050 0.000 0.651 377 V HN 0.339 nan 8.190 nan 0.000 0.449 378 L N 0.081 121.262 121.223 -0.069 0.000 2.083 378 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 378 L C 2.738 179.581 176.870 -0.045 0.000 1.083 378 L CA 1.475 56.274 54.840 -0.069 0.000 0.752 378 L CB -0.843 41.157 42.059 -0.098 0.000 0.899 378 L HN 0.373 nan 8.230 nan 0.000 0.433 379 A N 0.542 123.339 122.820 -0.038 0.000 1.908 379 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 379 A C 2.424 179.996 177.584 -0.020 0.000 1.181 379 A CA 1.812 53.833 52.037 -0.027 0.000 0.627 379 A CB -1.283 17.706 19.000 -0.019 0.000 0.818 379 A HN 0.440 nan 8.150 nan 0.000 0.445 380 G N -1.004 107.789 108.800 -0.012 0.000 2.442 380 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 380 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 380 G C 1.542 176.434 174.900 -0.014 0.000 1.141 380 G CA 1.301 46.398 45.100 -0.006 0.000 0.763 380 G HN 0.534 nan 8.290 nan 0.000 0.554 381 C N 0.698 119.986 119.300 -0.020 0.000 2.425 381 C HA 0.023 4.482 4.460 -0.000 0.000 0.277 381 C C 2.632 177.611 174.990 -0.019 0.000 1.280 381 C CA 0.915 59.920 59.018 -0.022 0.000 1.744 381 C CB -0.892 26.834 27.740 -0.023 0.000 1.989 381 C HN 0.666 nan 8.230 nan 0.000 0.491 382 I N -1.186 119.371 120.570 -0.021 0.000 3.968 382 I HA 0.381 4.551 4.170 -0.000 0.000 0.328 382 I C 1.032 177.137 176.117 -0.020 0.000 1.290 382 I CA -0.112 61.176 61.300 -0.020 0.000 1.163 382 I CB -0.383 37.603 38.000 -0.024 0.000 1.024 382 I HN 0.065 nan 8.210 nan 0.000 0.413 383 A N 1.644 124.452 122.820 -0.019 0.000 2.332 383 A HA 0.311 4.630 4.320 -0.000 0.000 0.258 383 A C -0.136 177.439 177.584 -0.015 0.000 1.087 383 A CA -0.162 51.864 52.037 -0.019 0.000 0.802 383 A CB 0.269 19.258 19.000 -0.018 0.000 1.042 383 A HN 0.440 nan 8.150 nan 0.000 0.489 384 E N -0.098 120.093 120.200 -0.015 0.000 2.194 384 E HA 0.485 4.835 4.350 -0.000 0.000 0.284 384 E C 0.667 177.261 176.600 -0.009 0.000 1.035 384 E CA 1.426 57.819 56.400 -0.011 0.000 0.836 384 E CB 0.343 30.037 29.700 -0.011 0.000 1.070 384 E HN 1.444 nan 8.360 nan 0.000 0.401 385 G N 2.776 111.571 108.800 -0.008 0.000 2.416 385 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.203 385 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.203 385 G C -0.619 174.278 174.900 -0.005 0.000 1.227 385 G CA -0.429 44.668 45.100 -0.005 0.000 1.041 385 G HN 0.550 nan 8.290 nan 0.000 0.546 386 T N 1.421 115.975 114.554 -0.001 0.000 2.767 386 T HA 0.675 5.024 4.350 -0.000 0.000 0.284 386 T C -0.070 174.634 174.700 0.006 0.000 0.973 386 T CA 0.316 62.417 62.100 0.002 0.000 0.996 386 T CB 1.449 70.320 68.868 0.004 0.000 0.927 386 T HN 0.732 nan 8.240 nan 0.000 0.456 387 T N 2.688 117.248 114.554 0.010 0.000 2.856 387 T HA 0.574 4.924 4.350 -0.000 0.000 0.283 387 T C -0.522 174.197 174.700 0.032 0.000 1.008 387 T CA -0.554 61.555 62.100 0.016 0.000 0.997 387 T CB 1.362 70.237 68.868 0.013 0.000 0.992 387 T HN 0.320 nan 8.240 nan 0.000 0.454 388 V N 3.493 123.427 119.914 0.034 0.000 2.376 388 V HA 0.362 4.482 4.120 -0.000 0.000 0.287 388 V C -0.304 175.816 176.094 0.044 0.000 1.015 388 V CA -0.804 61.525 62.300 0.049 0.000 0.834 388 V CB 1.651 33.498 31.823 0.039 0.000 1.001 388 V HN 0.728 nan 8.190 nan 0.000 0.428 389 V N 3.891 123.842 119.914 0.063 0.000 2.334 389 V HA 0.291 4.411 4.120 -0.000 0.000 0.267 389 V C 0.093 176.183 176.094 -0.006 0.000 1.040 389 V CA -0.353 61.962 62.300 0.025 0.000 0.866 389 V CB 1.298 33.138 31.823 0.029 0.000 1.019 389 V HN 0.899 nan 8.190 nan 0.000 0.468 390 D N 3.811 124.205 120.400 -0.009 0.000 2.313 390 D HA 0.345 4.985 4.640 -0.000 0.000 0.247 390 D C 0.882 177.153 176.300 -0.048 0.000 1.094 390 D CA -0.109 53.885 54.000 -0.011 0.000 0.925 390 D CB 0.497 41.306 40.800 0.014 0.000 1.188 390 D HN 0.492 nan 8.370 nan 0.000 0.430 391 R N 1.322 121.799 120.500 -0.038 0.000 3.656 391 R HA -0.191 4.149 4.340 -0.000 0.000 0.297 391 R C 1.078 177.170 176.300 -0.347 0.000 1.166 391 R CA 0.620 56.653 56.100 -0.111 0.000 0.799 391 R CB -2.208 28.031 30.300 -0.101 0.000 1.285 391 R HN 0.518 nan 8.270 nan 0.000 0.477 392 I N -1.629 118.763 120.570 -0.297 0.000 3.164 392 I HA -0.201 3.969 4.170 -0.000 0.000 0.278 392 I C 2.004 177.905 176.117 -0.360 0.000 1.320 392 I CA 1.042 62.077 61.300 -0.442 0.000 1.422 392 I CB -1.052 36.407 38.000 -0.901 0.000 1.066 392 I HN 0.319 nan 8.210 nan 0.000 0.503 393 Y N 0.023 120.201 120.300 -0.205 0.000 2.256 393 Y HA -0.247 4.303 4.550 -0.000 0.000 0.288 393 Y C 2.406 178.221 175.900 -0.142 0.000 1.155 393 Y CA 1.522 59.513 58.100 -0.182 0.000 1.203 393 Y CB -1.716 36.623 38.460 -0.203 0.000 0.980 393 Y HN 0.225 nan 8.280 nan 0.000 0.530 394 H N 0.536 119.252 119.070 -0.590 0.000 2.353 394 H HA -0.196 4.360 4.556 -0.000 0.000 0.298 394 H C 2.376 177.641 175.328 -0.106 0.000 1.103 394 H CA 2.071 57.921 56.048 -0.330 0.000 1.293 394 H CB -0.387 29.116 29.762 -0.431 0.000 1.372 394 H HN 0.502 nan 8.280 nan 0.000 0.501 395 I N 1.075 121.638 120.570 -0.011 0.000 2.493 395 I HA -0.205 3.965 4.170 -0.000 0.000 0.254 395 I C 1.239 177.442 176.117 0.143 0.000 1.160 395 I CA 1.038 62.371 61.300 0.055 0.000 1.445 395 I CB 0.008 37.950 38.000 -0.097 0.000 1.086 395 I HN 0.094 nan 8.210 nan 0.000 0.433 396 D N 0.475 120.923 120.400 0.080 0.000 2.348 396 D HA -0.095 4.545 4.640 -0.000 0.000 0.216 396 D C 2.038 178.404 176.300 0.110 0.000 0.970 396 D CA 0.425 54.489 54.000 0.107 0.000 0.889 396 D CB -0.100 40.749 40.800 0.081 0.000 0.912 396 D HN 0.285 nan 8.370 nan 0.000 0.524 397 R N 0.002 120.570 120.500 0.113 0.000 2.115 397 R HA 0.037 4.377 4.340 -0.000 0.000 0.226 397 R C 1.778 178.114 176.300 0.060 0.000 1.100 397 R CA 0.882 57.036 56.100 0.090 0.000 0.980 397 R CB -0.068 30.292 30.300 0.100 0.000 0.875 397 R HN 0.197 nan 8.270 nan 0.000 0.445 398 G N -1.679 107.160 108.800 0.066 0.000 3.443 398 G HA2 0.110 4.069 3.960 -0.000 0.000 0.252 398 G HA3 0.110 4.069 3.960 -0.000 0.000 0.252 398 G C -0.557 174.191 174.900 -0.253 0.000 1.015 398 G CA -0.149 44.899 45.100 -0.086 0.000 0.891 398 G HN 0.066 nan 8.290 nan 0.000 0.510 399 Y N 0.785 121.114 120.300 0.047 0.000 2.338 399 Y HA 0.430 4.980 4.550 -0.000 0.000 0.333 399 Y C -0.064 175.892 175.900 0.092 0.000 0.968 399 Y CA -1.268 56.874 58.100 0.071 0.000 1.123 399 Y CB 1.773 40.270 38.460 0.062 0.000 1.165 399 Y HN 0.069 nan 8.280 nan 0.000 0.452 400 E N 4.406 124.731 120.200 0.208 0.000 2.223 400 E HA 0.248 4.598 4.350 -0.000 0.000 0.282 400 E C -0.251 176.465 176.600 0.193 0.000 1.046 400 E CA -0.402 56.095 56.400 0.162 0.000 0.857 400 E CB 0.333 30.096 29.700 0.106 0.000 1.055 400 E HN 0.686 nan 8.360 nan 0.000 0.409 401 R N 3.649 124.251 120.500 0.171 0.000 3.225 401 R HA -0.227 4.113 4.340 -0.000 0.000 0.245 401 R C 1.018 177.437 176.300 0.199 0.000 0.928 401 R CA 0.506 56.701 56.100 0.158 0.000 0.632 401 R CB -1.839 28.525 30.300 0.108 0.000 1.038 401 R HN 0.772 nan 8.270 nan 0.000 0.461 402 I N 0.297 121.019 120.570 0.253 0.000 2.493 402 I HA -0.240 3.930 4.170 -0.000 0.000 0.254 402 I C 2.433 178.655 176.117 0.175 0.000 1.160 402 I CA 1.604 63.066 61.300 0.272 0.000 1.445 402 I CB -0.033 38.071 38.000 0.174 0.000 1.086 402 I HN 0.472 nan 8.210 nan 0.000 0.433 403 E N 0.849 121.124 120.200 0.124 0.000 2.038 403 E HA -0.295 4.055 4.350 -0.000 0.000 0.195 403 E C 1.629 178.213 176.600 -0.027 0.000 1.000 403 E CA 2.028 58.394 56.400 -0.057 0.000 0.803 403 E CB -0.021 29.629 29.700 -0.084 0.000 0.750 403 E HN 0.486 nan 8.360 nan 0.000 0.448 404 D N 0.444 120.857 120.400 0.023 0.000 2.097 404 D HA -0.146 4.493 4.640 -0.000 0.000 0.195 404 D C 1.934 178.242 176.300 0.013 0.000 0.989 404 D CA 1.140 55.147 54.000 0.012 0.000 0.827 404 D CB -0.178 40.636 40.800 0.024 0.000 0.966 404 D HN 0.200 nan 8.370 nan 0.000 0.456 405 K N 0.235 120.664 120.400 0.049 0.000 2.057 405 K HA -0.056 4.264 4.320 -0.000 0.000 0.207 405 K C 2.346 178.968 176.600 0.036 0.000 1.049 405 K CA 0.570 56.858 56.287 0.002 0.000 0.931 405 K CB -0.144 32.357 32.500 0.002 0.000 0.714 405 K HN 0.154 nan 8.250 nan 0.000 0.440 406 L N 0.472 121.776 121.223 0.135 0.000 2.056 406 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 406 L C 2.754 179.639 176.870 0.025 0.000 1.078 406 L CA 1.017 55.931 54.840 0.124 0.000 0.749 406 L CB -0.317 41.792 42.059 0.084 0.000 0.901 406 L HN 0.188 nan 8.230 nan 0.000 0.433 407 R N 0.474 120.966 120.500 -0.013 0.000 2.091 407 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 407 R C 2.158 178.443 176.300 -0.025 0.000 1.136 407 R CA 1.509 57.589 56.100 -0.033 0.000 0.959 407 R CB -0.265 30.006 30.300 -0.047 0.000 0.856 407 R HN 0.329 nan 8.270 nan 0.000 0.437 408 A N 0.286 123.090 122.820 -0.027 0.000 2.225 408 A HA -0.045 4.275 4.320 -0.000 0.000 0.215 408 A C 1.699 179.262 177.584 -0.036 0.000 1.164 408 A CA 0.859 52.875 52.037 -0.036 0.000 0.710 408 A CB -0.182 18.788 19.000 -0.050 0.000 0.780 408 A HN 0.372 nan 8.150 nan 0.000 0.473 409 L N -2.123 119.087 121.223 -0.022 0.000 2.693 409 L HA 0.311 4.651 4.340 -0.000 0.000 0.235 409 L C 1.466 178.332 176.870 -0.006 0.000 1.127 409 L CA 0.559 55.392 54.840 -0.013 0.000 0.914 409 L CB 0.373 42.441 42.059 0.016 0.000 1.193 409 L HN 0.506 nan 8.230 nan 0.000 0.502 410 G N -0.032 108.760 108.800 -0.013 0.000 2.168 410 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.197 410 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.197 410 G C 0.321 175.211 174.900 -0.017 0.000 0.997 410 G CA -0.159 44.932 45.100 -0.014 0.000 0.658 410 G HN 0.383 nan 8.290 nan 0.000 0.513 411 A N 0.050 122.859 122.820 -0.018 0.000 2.371 411 A HA 0.616 4.935 4.320 -0.000 0.000 0.257 411 A C 0.478 178.035 177.584 -0.046 0.000 1.089 411 A CA 0.118 52.137 52.037 -0.030 0.000 0.794 411 A CB 0.440 19.421 19.000 -0.033 0.000 1.029 411 A HN 0.490 nan 8.150 nan 0.000 0.488 412 N N 1.927 120.598 118.700 -0.049 0.000 2.817 412 N HA 0.359 5.098 4.740 -0.000 0.000 0.234 412 N C -1.315 174.149 175.510 -0.078 0.000 1.066 412 N CA -0.037 52.980 53.050 -0.053 0.000 0.926 412 N CB 0.257 38.722 38.487 -0.037 0.000 1.176 412 N HN 0.669 nan 8.380 nan 0.000 0.506 413 I N 0.687 121.186 120.570 -0.118 0.000 2.730 413 I HA 0.474 4.643 4.170 -0.000 0.000 0.298 413 I C -1.270 174.719 176.117 -0.214 0.000 1.089 413 I CA -0.665 60.517 61.300 -0.196 0.000 1.041 413 I CB 2.205 40.021 38.000 -0.306 0.000 1.235 413 I HN 0.319 nan 8.210 nan 0.000 0.423 414 E N 6.386 126.453 120.200 -0.222 0.000 2.321 414 E HA 0.263 4.612 4.350 -0.000 0.000 0.281 414 E C -1.426 175.135 176.600 -0.067 0.000 0.910 414 E CA -0.857 55.458 56.400 -0.142 0.000 0.770 414 E CB 1.770 31.436 29.700 -0.057 0.000 1.225 414 E HN 0.611 nan 8.360 nan 0.000 0.417 415 R N 4.516 125.018 120.500 0.003 0.000 2.308 415 R HA 0.189 4.528 4.340 -0.000 0.000 0.325 415 R C -0.178 176.212 176.300 0.151 0.000 1.161 415 R CA -0.255 55.987 56.100 0.237 0.000 1.022 415 R CB 0.184 30.689 30.300 0.341 0.000 1.091 415 R HN 0.359 nan 8.270 nan 0.000 0.497 416 V N 2.867 122.864 119.914 0.139 0.000 2.583 416 V HA 0.290 4.410 4.120 -0.000 0.000 0.287 416 V C 0.135 176.278 176.094 0.082 0.000 1.051 416 V CA -0.979 61.372 62.300 0.086 0.000 1.010 416 V CB 1.048 32.913 31.823 0.069 0.000 0.988 416 V HN 0.506 nan 8.190 nan 0.000 0.478 417 K N 3.709 124.145 120.400 0.059 0.000 2.402 417 K HA 0.128 4.448 4.320 -0.000 0.000 0.265 417 K C 0.975 177.601 176.600 0.043 0.000 0.978 417 K CA 0.924 57.240 56.287 0.048 0.000 0.913 417 K CB -0.127 32.394 32.500 0.035 0.000 0.954 417 K HN 1.269 nan 8.250 nan 0.000 0.511 418 G N 2.569 111.389 108.800 0.034 0.000 2.093 418 G HA2 -0.030 3.929 3.960 -0.000 0.000 0.250 418 G HA3 -0.030 3.929 3.960 -0.000 0.000 0.250 418 G C -0.292 174.624 174.900 0.026 0.000 1.056 418 G CA 0.294 45.411 45.100 0.028 0.000 0.916 418 G HN 0.502 nan 8.290 nan 0.000 0.421 419 E N 0.000 120.217 120.200 0.029 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.416 56.400 0.026 0.000 0.976 419 E CB 0.000 29.712 29.700 0.020 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440