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 1ryw_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGSAIGAR 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 AFPTDMQAQF 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 0.000 176.323 176.300 0.039 0.000 1.140 1 M CA 0.000 55.313 55.300 0.022 0.000 0.988 1 M CB 0.000 32.622 32.600 0.036 0.000 1.302 2 D N 3.997 124.422 120.400 0.042 0.000 2.400 2 D HA 0.485 5.125 4.640 -0.000 0.000 0.238 2 D C -0.393 175.919 176.300 0.021 0.000 1.157 2 D CA 0.597 54.622 54.000 0.042 0.000 0.889 2 D CB 0.784 41.606 40.800 0.038 0.000 1.199 2 D HN 0.527 nan 8.370 nan 0.000 0.436 3 K N 0.369 120.799 120.400 0.050 0.000 2.495 3 K HA 0.486 4.806 4.320 -0.000 0.000 0.268 3 K C -0.896 175.838 176.600 0.223 0.000 1.008 3 K CA -0.781 55.535 56.287 0.049 0.000 0.882 3 K CB 2.009 34.550 32.500 0.068 0.000 1.443 3 K HN 0.297 nan 8.250 nan 0.000 0.447 4 F N 1.173 121.128 119.950 0.008 0.000 2.467 4 F HA 0.414 4.941 4.527 -0.000 0.000 0.336 4 F C 0.123 175.921 175.800 -0.002 0.000 1.123 4 F CA -1.042 56.959 58.000 0.000 0.000 0.964 4 F CB 2.059 41.051 39.000 -0.013 0.000 1.136 4 F HN 0.233 nan 8.300 nan 0.000 0.447 5 R N 3.927 124.516 120.500 0.147 0.000 2.265 5 R HA 0.605 4.945 4.340 -0.000 0.000 0.328 5 R C -1.823 174.486 176.300 0.014 0.000 0.969 5 R CA -0.377 55.763 56.100 0.067 0.000 0.832 5 R CB 1.341 31.668 30.300 0.045 0.000 1.139 5 R HN 0.476 nan 8.270 nan 0.000 0.457 6 V N 4.507 124.431 119.914 0.016 0.000 2.555 6 V HA 0.356 4.476 4.120 -0.000 0.000 0.302 6 V C -0.497 175.591 176.094 -0.010 0.000 1.038 6 V CA -0.841 61.451 62.300 -0.014 0.000 0.887 6 V CB 1.916 33.733 31.823 -0.009 0.000 0.991 6 V HN 0.766 nan 8.190 nan 0.000 0.434 7 Q N 2.087 121.875 119.800 -0.020 0.000 2.333 7 Q HA 0.701 5.041 4.340 -0.000 0.000 0.268 7 Q C 0.040 176.030 176.000 -0.017 0.000 1.007 7 Q CA -0.373 55.422 55.803 -0.014 0.000 0.810 7 Q CB 2.552 31.282 28.738 -0.014 0.000 1.264 7 Q HN 0.969 nan 8.270 nan 0.000 0.452 8 G N 2.276 111.068 108.800 -0.013 0.000 3.042 8 G HA2 0.719 4.678 3.960 -0.000 0.000 0.278 8 G HA3 0.719 4.678 3.960 -0.000 0.000 0.278 8 G C -2.852 172.041 174.900 -0.011 0.000 1.371 8 G CA -1.311 43.781 45.100 -0.014 0.000 1.009 8 G HN 0.336 nan 8.290 nan 0.000 0.523 9 P HA 0.404 nan 4.420 nan 0.000 0.281 9 P C -0.808 176.484 177.300 -0.012 0.000 1.264 9 P CA -0.116 62.976 63.100 -0.013 0.000 0.824 9 P CB 1.696 33.389 31.700 -0.012 0.000 1.092 10 T N -1.868 112.678 114.554 -0.014 0.000 3.032 10 T HA 0.392 4.742 4.350 -0.000 0.000 0.312 10 T C -0.394 174.300 174.700 -0.010 0.000 1.078 10 T CA -1.001 61.092 62.100 -0.012 0.000 1.028 10 T CB 1.340 70.200 68.868 -0.014 0.000 1.091 10 T HN 0.458 nan 8.240 nan 0.000 0.457 11 R N 2.793 123.289 120.500 -0.007 0.000 2.491 11 R HA 0.500 4.840 4.340 -0.000 0.000 0.283 11 R C -0.721 175.578 176.300 -0.003 0.000 1.072 11 R CA -0.559 55.538 56.100 -0.006 0.000 1.048 11 R CB 0.259 30.556 30.300 -0.004 0.000 0.983 11 R HN 0.705 nan 8.270 nan 0.000 0.450 12 L N 6.026 127.250 121.223 0.002 0.000 2.272 12 L HA 0.343 4.683 4.340 -0.000 0.000 0.289 12 L C -0.273 176.607 176.870 0.016 0.000 1.032 12 L CA -0.363 54.486 54.840 0.015 0.000 0.810 12 L CB 1.291 43.368 42.059 0.030 0.000 1.205 12 L HN 0.762 nan 8.230 nan 0.000 0.422 13 Q N 2.770 122.577 119.800 0.012 0.000 2.482 13 Q HA 0.845 5.185 4.340 -0.000 0.000 0.286 13 Q C -0.424 175.573 176.000 -0.005 0.000 1.007 13 Q CA -0.601 55.203 55.803 0.003 0.000 0.801 13 Q CB 3.024 31.757 28.738 -0.008 0.000 1.455 13 Q HN 0.660 nan 8.270 nan 0.000 0.398 14 G N 0.848 109.639 108.800 -0.014 0.000 2.217 14 G HA2 0.024 3.984 3.960 -0.000 0.000 0.173 14 G HA3 0.024 3.984 3.960 -0.000 0.000 0.173 14 G C -1.516 173.361 174.900 -0.039 0.000 1.324 14 G CA -0.394 44.689 45.100 -0.029 0.000 1.225 14 G HN 0.670 nan 8.290 nan 0.000 0.494 15 E N -1.634 118.531 120.200 -0.058 0.000 2.416 15 E HA 0.668 5.018 4.350 -0.000 0.000 0.273 15 E C -1.524 174.998 176.600 -0.130 0.000 0.935 15 E CA -0.770 55.584 56.400 -0.078 0.000 0.784 15 E CB 3.226 32.881 29.700 -0.076 0.000 1.301 15 E HN 0.932 nan 8.360 nan 0.000 0.454 16 V N 0.729 120.541 119.914 -0.171 0.000 2.969 16 V HA 0.422 4.542 4.120 -0.000 0.000 0.304 16 V C -1.540 174.436 176.094 -0.198 0.000 1.192 16 V CA -0.271 61.855 62.300 -0.290 0.000 0.962 16 V CB 2.477 33.897 31.823 -0.673 0.000 1.045 16 V HN 0.711 nan 8.190 nan 0.000 0.428 17 T N 7.492 121.944 114.554 -0.169 0.000 2.756 17 T HA 0.517 4.867 4.350 -0.000 0.000 0.290 17 T C -0.151 174.502 174.700 -0.079 0.000 0.985 17 T CA -0.268 61.779 62.100 -0.089 0.000 0.955 17 T CB 0.539 69.372 68.868 -0.058 0.000 0.930 17 T HN 0.476 nan 8.240 nan 0.000 0.451 18 I N 3.345 123.892 120.570 -0.038 0.000 2.618 18 I HA 0.104 4.274 4.170 -0.000 0.000 0.284 18 I C 1.184 177.305 176.117 0.007 0.000 1.146 18 I CA 0.152 61.454 61.300 0.003 0.000 1.425 18 I CB 0.050 38.071 38.000 0.035 0.000 1.383 18 I HN 0.559 nan 8.210 nan 0.000 0.562 19 S N 4.280 119.992 115.700 0.021 0.000 2.655 19 S HA 0.470 4.940 4.470 -0.000 0.000 0.265 19 S C 0.696 175.294 174.600 -0.004 0.000 1.240 19 S CA -0.583 57.623 58.200 0.009 0.000 0.986 19 S CB 1.143 64.357 63.200 0.022 0.000 0.985 19 S HN 0.849 nan 8.310 nan 0.000 0.562 20 G N 0.155 108.944 108.800 -0.018 0.000 2.491 20 G HA2 0.441 4.401 3.960 -0.000 0.000 0.238 20 G HA3 0.441 4.401 3.960 -0.000 0.000 0.238 20 G C -0.027 174.857 174.900 -0.027 0.000 1.277 20 G CA -0.369 44.714 45.100 -0.029 0.000 0.851 20 G HN 0.912 nan 8.290 nan 0.000 0.573 21 A N 1.488 124.291 122.820 -0.027 0.000 2.522 21 A HA 0.238 4.558 4.320 -0.000 0.000 0.256 21 A C 1.666 179.234 177.584 -0.027 0.000 1.086 21 A CA 0.331 52.350 52.037 -0.030 0.000 0.763 21 A CB 0.273 19.258 19.000 -0.027 0.000 1.024 21 A HN 0.921 nan 8.150 nan 0.000 0.502 22 K N 2.414 122.795 120.400 -0.032 0.000 2.063 22 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 22 K C 0.554 177.174 176.600 0.033 0.000 1.048 22 K CA 1.986 58.267 56.287 -0.010 0.000 0.928 22 K CB -0.124 32.357 32.500 -0.032 0.000 0.713 22 K HN 0.716 nan 8.250 nan 0.000 0.442 23 N N 0.056 118.777 118.700 0.034 0.000 2.521 23 N HA 0.006 4.746 4.740 -0.000 0.000 0.188 23 N C 0.724 176.252 175.510 0.031 0.000 1.146 23 N CA 0.777 53.878 53.050 0.084 0.000 0.893 23 N CB 0.704 39.244 38.487 0.088 0.000 0.975 23 N HN 0.372 nan 8.380 nan 0.000 0.451 24 A N -0.089 122.722 122.820 -0.014 0.000 1.999 24 A HA 0.452 4.772 4.320 -0.000 0.000 0.200 24 A C 2.139 179.667 177.584 -0.093 0.000 1.363 24 A CA 0.687 52.687 52.037 -0.061 0.000 0.844 24 A CB -0.421 18.558 19.000 -0.035 0.000 0.954 24 A HN 0.167 nan 8.150 nan 0.000 0.481 25 A N 0.484 123.266 122.820 -0.062 0.000 1.883 25 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 25 A C 2.127 179.665 177.584 -0.076 0.000 1.186 25 A CA 1.599 53.582 52.037 -0.090 0.000 0.624 25 A CB -0.746 18.218 19.000 -0.060 0.000 0.822 25 A HN 0.447 nan 8.150 nan 0.000 0.444 26 L N -0.059 121.184 121.223 0.034 0.000 1.970 26 L HA -0.129 4.210 4.340 -0.000 0.000 0.212 26 L C -0.203 176.774 176.870 0.178 0.000 1.071 26 L CA 1.930 56.888 54.840 0.198 0.000 0.751 26 L CB -1.483 40.830 42.059 0.423 0.000 0.889 26 L HN 0.305 nan 8.230 nan 0.000 0.432 27 P HA -0.171 nan 4.420 nan 0.000 0.220 27 P C 1.781 178.914 177.300 -0.278 0.000 1.148 27 P CA 1.614 64.372 63.100 -0.571 0.000 0.803 27 P CB 0.054 31.169 31.700 -0.974 0.000 0.782 28 I N -0.602 119.793 120.570 -0.291 0.000 2.233 28 I HA -0.186 3.984 4.170 -0.000 0.000 0.243 28 I C 2.645 178.510 176.117 -0.419 0.000 1.093 28 I CA 0.996 62.000 61.300 -0.493 0.000 1.380 28 I CB -0.606 36.982 38.000 -0.688 0.000 1.067 28 I HN -0.168 nan 8.210 nan 0.000 0.413 29 L N -0.250 120.794 121.223 -0.299 0.000 2.043 29 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 29 L C 2.461 179.179 176.870 -0.253 0.000 1.075 29 L CA 1.693 56.359 54.840 -0.288 0.000 0.752 29 L CB -0.590 41.277 42.059 -0.319 0.000 0.891 29 L HN 0.159 nan 8.230 nan 0.000 0.432 30 F N -0.531 119.409 119.950 -0.018 0.000 2.206 30 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 30 F C 2.575 178.415 175.800 0.066 0.000 1.090 30 F CA 0.895 58.934 58.000 0.065 0.000 1.323 30 F CB -0.529 38.556 39.000 0.141 0.000 1.028 30 F HN -0.017 nan 8.300 nan 0.000 0.492 31 A N 0.155 123.083 122.820 0.181 0.000 2.024 31 A HA -0.103 4.216 4.320 -0.000 0.000 0.220 31 A C 2.329 180.090 177.584 0.295 0.000 1.164 31 A CA 1.481 53.648 52.037 0.217 0.000 0.643 31 A CB -1.168 17.988 19.000 0.260 0.000 0.806 31 A HN 0.299 nan 8.150 nan 0.000 0.451 32 A N -0.381 122.596 122.820 0.261 0.000 2.125 32 A HA 0.006 4.326 4.320 -0.000 0.000 0.219 32 A C 1.929 179.623 177.584 0.183 0.000 1.156 32 A CA 1.179 53.375 52.037 0.265 0.000 0.671 32 A CB -0.563 18.519 19.000 0.137 0.000 0.794 32 A HN 0.501 nan 8.150 nan 0.000 0.459 33 L N -0.837 120.496 121.223 0.184 0.000 2.456 33 L HA -0.107 4.233 4.340 -0.000 0.000 0.224 33 L C 2.000 178.998 176.870 0.214 0.000 1.148 33 L CA 0.511 55.483 54.840 0.220 0.000 0.825 33 L CB -0.280 41.944 42.059 0.276 0.000 0.937 33 L HN 0.425 nan 8.230 nan 0.000 0.450 34 L N -0.595 120.716 121.223 0.147 0.000 2.341 34 L HA 0.114 4.454 4.340 -0.000 0.000 0.214 34 L C 1.403 178.286 176.870 0.021 0.000 1.115 34 L CA -0.282 54.593 54.840 0.059 0.000 0.820 34 L CB -0.328 41.747 42.059 0.027 0.000 0.944 34 L HN 0.099 nan 8.230 nan 0.000 0.452 35 A N 0.614 123.466 122.820 0.054 0.000 2.451 35 A HA 0.089 4.409 4.320 -0.000 0.000 0.266 35 A C 0.941 178.555 177.584 0.050 0.000 1.119 35 A CA -0.165 51.889 52.037 0.030 0.000 0.786 35 A CB 0.075 19.107 19.000 0.055 0.000 1.061 35 A HN 0.339 nan 8.150 nan 0.000 0.503 36 E N 1.516 121.729 120.200 0.021 0.000 2.478 36 E HA 0.008 4.358 4.350 -0.000 0.000 0.194 36 E C -0.216 176.410 176.600 0.044 0.000 1.045 36 E CA 0.520 56.941 56.400 0.035 0.000 0.868 36 E CB 0.344 30.048 29.700 0.007 0.000 0.885 36 E HN 0.825 nan 8.360 nan 0.000 0.505 37 E N 0.690 120.914 120.200 0.041 0.000 2.343 37 E HA 0.291 4.641 4.350 -0.000 0.000 0.270 37 E C -2.729 173.912 176.600 0.067 0.000 0.895 37 E CA -2.687 53.741 56.400 0.047 0.000 0.767 37 E CB 1.840 31.559 29.700 0.031 0.000 1.248 37 E HN -0.187 nan 8.360 nan 0.000 0.440 38 P HA -0.112 nan 4.420 nan 0.000 0.261 38 P C -1.087 176.286 177.300 0.122 0.000 1.158 38 P CA 0.460 63.627 63.100 0.111 0.000 0.758 38 P CB 0.359 32.127 31.700 0.114 0.000 0.763 39 V N 3.398 123.398 119.914 0.142 0.000 2.735 39 V HA 0.371 4.491 4.120 -0.000 0.000 0.310 39 V C -0.033 176.119 176.094 0.097 0.000 1.061 39 V CA -0.469 61.917 62.300 0.144 0.000 0.913 39 V CB 2.112 34.052 31.823 0.194 0.000 1.005 39 V HN 0.474 nan 8.190 nan 0.000 0.428 40 E N 3.951 124.173 120.200 0.037 0.000 2.191 40 E HA 0.570 4.920 4.350 -0.000 0.000 0.263 40 E C -1.542 174.958 176.600 -0.166 0.000 0.881 40 E CA -0.566 55.711 56.400 -0.205 0.000 0.757 40 E CB 1.562 31.132 29.700 -0.216 0.000 1.147 40 E HN 0.634 nan 8.360 nan 0.000 0.414 41 I N 4.410 124.814 120.570 -0.278 0.000 2.330 41 I HA 0.203 4.373 4.170 -0.000 0.000 0.289 41 I C 0.120 176.072 176.117 -0.275 0.000 1.001 41 I CA -0.562 60.617 61.300 -0.202 0.000 1.193 41 I CB 1.507 39.369 38.000 -0.230 0.000 1.345 41 I HN 0.399 nan 8.210 nan 0.000 0.461 42 Q N 3.970 123.651 119.800 -0.198 0.000 2.205 42 Q HA 0.322 4.662 4.340 -0.000 0.000 0.249 42 Q C 0.268 176.180 176.000 -0.146 0.000 0.948 42 Q CA -0.778 54.905 55.803 -0.200 0.000 0.895 42 Q CB 0.965 29.605 28.738 -0.164 0.000 1.249 42 Q HN 0.584 nan 8.270 nan 0.000 0.458 43 N N -0.542 118.084 118.700 -0.124 0.000 2.754 43 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 43 N C -1.636 173.827 175.510 -0.078 0.000 1.093 43 N CA 0.279 53.278 53.050 -0.086 0.000 0.699 43 N CB -0.959 37.481 38.487 -0.079 0.000 1.016 43 N HN 0.337 nan 8.380 nan 0.000 0.552 44 V N 1.841 121.699 119.914 -0.094 0.000 2.408 44 V HA 0.348 4.468 4.120 -0.000 0.000 0.267 44 V C -1.335 174.731 176.094 -0.047 0.000 1.047 44 V CA -1.031 61.221 62.300 -0.080 0.000 0.937 44 V CB 0.996 32.755 31.823 -0.106 0.000 0.999 44 V HN 0.208 nan 8.190 nan 0.000 0.472 45 P HA 0.142 nan 4.420 nan 0.000 0.270 45 P C -0.730 176.572 177.300 0.003 0.000 1.223 45 P CA -0.431 62.664 63.100 -0.007 0.000 0.785 45 P CB 0.902 32.599 31.700 -0.006 0.000 0.923 46 K N 2.386 122.799 120.400 0.022 0.000 2.244 46 K HA 0.405 4.725 4.320 -0.000 0.000 0.263 46 K C -0.197 176.429 176.600 0.042 0.000 1.103 46 K CA -0.216 56.090 56.287 0.031 0.000 0.966 46 K CB -0.027 32.496 32.500 0.039 0.000 1.429 46 K HN 0.420 nan 8.250 nan 0.000 0.434 47 L N 1.119 122.363 121.223 0.035 0.000 2.333 47 L HA 0.364 4.704 4.340 -0.000 0.000 0.263 47 L C 1.389 178.285 176.870 0.043 0.000 1.014 47 L CA -1.087 53.780 54.840 0.045 0.000 0.820 47 L CB 1.290 43.370 42.059 0.034 0.000 1.352 47 L HN 0.286 nan 8.230 nan 0.000 0.421 48 K N 0.748 121.179 120.400 0.052 0.000 2.063 48 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 48 K C 1.088 177.713 176.600 0.042 0.000 1.048 48 K CA 1.771 58.085 56.287 0.045 0.000 0.928 48 K CB 0.066 32.599 32.500 0.056 0.000 0.713 48 K HN 0.615 nan 8.250 nan 0.000 0.442 49 D N 0.554 120.984 120.400 0.050 0.000 2.219 49 D HA -0.116 4.523 4.640 -0.000 0.000 0.205 49 D C 1.875 178.209 176.300 0.058 0.000 0.970 49 D CA 0.500 54.537 54.000 0.062 0.000 0.851 49 D CB 0.073 40.920 40.800 0.078 0.000 0.943 49 D HN 0.160 nan 8.370 nan 0.000 0.488 50 I N 1.496 122.087 120.570 0.036 0.000 2.315 50 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 50 I C 1.740 177.858 176.117 0.001 0.000 1.117 50 I CA 1.080 62.386 61.300 0.010 0.000 1.404 50 I CB -0.714 37.285 38.000 0.000 0.000 1.071 50 I HN -0.061 nan 8.210 nan 0.000 0.419 51 D N 0.661 121.069 120.400 0.014 0.000 2.097 51 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 51 D C 2.119 178.424 176.300 0.008 0.000 0.989 51 D CA 1.669 55.675 54.000 0.010 0.000 0.827 51 D CB -0.332 40.477 40.800 0.015 0.000 0.966 51 D HN 0.242 nan 8.370 nan 0.000 0.456 52 T N 0.552 115.118 114.554 0.019 0.000 2.759 52 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 52 T C 2.005 176.724 174.700 0.032 0.000 1.042 52 T CA 1.600 63.716 62.100 0.026 0.000 1.140 52 T CB -0.423 68.467 68.868 0.037 0.000 0.864 52 T HN 0.154 nan 8.240 nan 0.000 0.455 53 T N 2.135 116.701 114.554 0.020 0.000 2.777 53 T HA 0.036 4.386 4.350 -0.000 0.000 0.266 53 T C 2.064 176.699 174.700 -0.109 0.000 1.040 53 T CA 1.035 63.103 62.100 -0.054 0.000 1.141 53 T CB -0.329 68.460 68.868 -0.132 0.000 0.868 53 T HN 0.338 nan 8.240 nan 0.000 0.444 54 M N 0.750 120.308 119.600 -0.071 0.000 2.159 54 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 54 M C 2.419 178.700 176.300 -0.032 0.000 1.063 54 M CA 1.522 56.789 55.300 -0.055 0.000 1.110 54 M CB -0.360 32.226 32.600 -0.024 0.000 1.374 54 M HN 0.134 nan 8.290 nan 0.000 0.411 55 K N 1.091 121.483 120.400 -0.014 0.000 2.026 55 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 55 K C 1.944 178.545 176.600 0.002 0.000 1.048 55 K CA 1.270 57.555 56.287 -0.003 0.000 0.929 55 K CB -0.237 32.266 32.500 0.005 0.000 0.713 55 K HN 0.294 nan 8.250 nan 0.000 0.439 56 L N 1.189 122.421 121.223 0.016 0.000 2.012 56 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 56 L C 2.192 179.076 176.870 0.022 0.000 1.073 56 L CA 1.238 56.106 54.840 0.046 0.000 0.748 56 L CB -0.195 41.935 42.059 0.119 0.000 0.891 56 L HN 0.284 nan 8.230 nan 0.000 0.431 57 L N -0.833 120.375 121.223 -0.024 0.000 2.017 57 L HA -0.233 4.106 4.340 -0.000 0.000 0.208 57 L C 2.522 179.377 176.870 -0.025 0.000 1.073 57 L CA 1.904 56.723 54.840 -0.036 0.000 0.745 57 L CB -0.982 41.026 42.059 -0.086 0.000 0.894 57 L HN 0.287 nan 8.230 nan 0.000 0.432 58 T N -1.164 113.376 114.554 -0.023 0.000 2.720 58 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 58 T C 1.852 176.534 174.700 -0.031 0.000 1.037 58 T CA 1.261 63.349 62.100 -0.020 0.000 1.144 58 T CB -0.205 68.656 68.868 -0.012 0.000 0.864 58 T HN 0.327 nan 8.240 nan 0.000 0.444 59 Q N 0.465 120.250 119.800 -0.025 0.000 2.364 59 Q HA 0.007 4.347 4.340 -0.000 0.000 0.207 59 Q C 1.872 177.832 176.000 -0.066 0.000 0.970 59 Q CA 0.829 56.613 55.803 -0.032 0.000 0.888 59 Q CB -0.214 28.519 28.738 -0.009 0.000 0.951 59 Q HN 0.520 nan 8.270 nan 0.000 0.469 60 L N -1.147 120.032 121.223 -0.073 0.000 2.558 60 L HA 0.138 4.478 4.340 -0.000 0.000 0.225 60 L C 1.162 177.916 176.870 -0.194 0.000 1.128 60 L CA 0.657 55.410 54.840 -0.144 0.000 0.868 60 L CB 0.161 42.164 42.059 -0.093 0.000 1.006 60 L HN 0.419 nan 8.230 nan 0.000 0.454 61 G N -0.072 108.656 108.800 -0.121 0.000 2.138 61 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.193 61 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.193 61 G C 0.188 175.054 174.900 -0.057 0.000 0.998 61 G CA -0.083 44.953 45.100 -0.107 0.000 0.668 61 G HN 0.208 nan 8.290 nan 0.000 0.516 62 T N 1.077 115.610 114.554 -0.036 0.000 2.909 62 T HA 0.512 4.862 4.350 -0.000 0.000 0.286 62 T C 0.340 175.044 174.700 0.007 0.000 1.002 62 T CA -0.132 61.968 62.100 -0.000 0.000 1.074 62 T CB 1.282 70.155 68.868 0.009 0.000 0.984 62 T HN 0.257 nan 8.240 nan 0.000 0.495 63 K N 2.358 122.774 120.400 0.026 0.000 2.262 63 K HA 0.567 4.887 4.320 -0.000 0.000 0.282 63 K C -1.028 175.602 176.600 0.050 0.000 1.066 63 K CA -0.502 55.803 56.287 0.031 0.000 0.901 63 K CB 0.990 33.511 32.500 0.034 0.000 1.089 63 K HN 0.251 nan 8.250 nan 0.000 0.476 64 V N 3.531 123.472 119.914 0.045 0.000 2.789 64 V HA 0.412 4.532 4.120 -0.000 0.000 0.311 64 V C -0.481 175.662 176.094 0.081 0.000 1.073 64 V CA -0.867 61.473 62.300 0.066 0.000 0.921 64 V CB 1.926 33.767 31.823 0.031 0.000 1.009 64 V HN 0.854 nan 8.190 nan 0.000 0.426 65 E N 3.938 124.225 120.200 0.145 0.000 2.423 65 E HA 0.738 5.088 4.350 -0.000 0.000 0.280 65 E C -1.254 175.526 176.600 0.301 0.000 1.030 65 E CA -1.154 55.342 56.400 0.160 0.000 0.812 65 E CB 3.278 33.036 29.700 0.096 0.000 1.313 65 E HN 0.791 nan 8.360 nan 0.000 0.456 66 R N -0.611 120.056 120.500 0.278 0.000 2.762 66 R HA 0.417 4.757 4.340 -0.000 0.000 0.271 66 R C -0.516 175.975 176.300 0.318 0.000 1.038 66 R CA -0.416 55.894 56.100 0.349 0.000 0.906 66 R CB 0.353 30.738 30.300 0.142 0.000 1.259 66 R HN 0.427 nan 8.270 nan 0.000 0.457 67 D N 0.429 121.015 120.400 0.311 0.000 2.099 67 D HA 0.063 4.703 4.640 -0.000 0.000 0.278 67 D C 1.412 177.781 176.300 0.115 0.000 1.140 67 D CA 1.001 55.132 54.000 0.218 0.000 0.894 67 D CB -1.018 39.918 40.800 0.226 0.000 0.945 67 D HN 0.624 nan 8.370 nan 0.000 0.338 68 G N -1.121 107.723 108.800 0.073 0.000 2.744 68 G HA2 0.183 4.143 3.960 -0.000 0.000 0.211 68 G HA3 0.183 4.143 3.960 -0.000 0.000 0.211 68 G C 0.439 175.271 174.900 -0.114 0.000 1.146 68 G CA 0.178 45.272 45.100 -0.011 0.000 0.787 68 G HN 0.355 nan 8.290 nan 0.000 0.534 69 S N -1.187 114.366 115.700 -0.245 0.000 2.704 69 S HA 0.669 5.139 4.470 -0.000 0.000 0.305 69 S C -0.859 173.396 174.600 -0.576 0.000 1.107 69 S CA -0.501 57.359 58.200 -0.566 0.000 0.993 69 S CB 2.434 64.994 63.200 -1.067 0.000 1.110 69 S HN -0.056 nan 8.310 nan 0.000 0.534 70 V N 1.791 121.367 119.914 -0.562 0.000 2.444 70 V HA 0.369 4.489 4.120 -0.000 0.000 0.294 70 V C -1.071 174.825 176.094 -0.330 0.000 1.022 70 V CA -0.609 61.533 62.300 -0.264 0.000 0.850 70 V CB 1.173 32.906 31.823 -0.150 0.000 0.992 70 V HN 0.776 nan 8.190 nan 0.000 0.426 71 W N 5.439 126.738 121.300 -0.002 0.000 2.361 71 W HA 0.600 5.260 4.660 -0.000 0.000 0.309 71 W C -0.792 175.732 176.519 0.007 0.000 1.122 71 W CA -0.579 56.772 57.345 0.011 0.000 1.208 71 W CB 1.738 31.205 29.460 0.012 0.000 1.246 71 W HN 0.292 nan 8.180 nan 0.000 0.490 72 I N 3.059 123.736 120.570 0.179 0.000 2.545 72 I HA 0.167 4.337 4.170 -0.000 0.000 0.292 72 I C -0.544 175.650 176.117 0.129 0.000 1.040 72 I CA -0.655 60.717 61.300 0.120 0.000 1.068 72 I CB 1.930 39.969 38.000 0.066 0.000 1.251 72 I HN 0.288 nan 8.210 nan 0.000 0.424 73 D N 5.056 125.519 120.400 0.104 0.000 2.389 73 D HA 0.497 5.137 4.640 -0.000 0.000 0.256 73 D C -0.112 176.239 176.300 0.084 0.000 1.239 73 D CA -0.288 53.769 54.000 0.094 0.000 0.925 73 D CB 1.613 42.463 40.800 0.083 0.000 1.145 73 D HN 0.599 nan 8.370 nan 0.000 0.542 74 A N 2.560 125.440 122.820 0.100 0.000 2.507 74 A HA 0.171 4.491 4.320 -0.000 0.000 0.270 74 A C 1.736 179.407 177.584 0.146 0.000 1.318 74 A CA 0.335 52.444 52.037 0.120 0.000 0.924 74 A CB -0.277 18.813 19.000 0.150 0.000 1.061 74 A HN 0.466 nan 8.150 nan 0.000 0.516 75 S N 0.674 116.441 115.700 0.111 0.000 2.399 75 S HA -0.120 4.349 4.470 -0.000 0.000 0.231 75 S C 0.881 175.560 174.600 0.133 0.000 1.022 75 S CA 1.302 59.569 58.200 0.111 0.000 0.983 75 S CB -0.321 62.926 63.200 0.077 0.000 0.803 75 S HN 0.562 nan 8.310 nan 0.000 0.480 76 N N 1.371 120.134 118.700 0.105 0.000 2.401 76 N HA 0.278 5.018 4.740 -0.000 0.000 0.264 76 N C -0.869 174.662 175.510 0.035 0.000 1.238 76 N CA -0.100 53.001 53.050 0.084 0.000 0.889 76 N CB 1.109 39.622 38.487 0.043 0.000 1.196 76 N HN 0.194 nan 8.380 nan 0.000 0.511 77 V N 2.657 122.606 119.914 0.058 0.000 2.584 77 V HA -0.112 4.008 4.120 -0.000 0.000 0.303 77 V C 1.066 176.949 176.094 -0.352 0.000 1.035 77 V CA 0.732 62.941 62.300 -0.151 0.000 1.172 77 V CB 0.041 31.772 31.823 -0.153 0.000 0.896 77 V HN 0.553 nan 8.190 nan 0.000 0.486 78 N N 2.315 120.728 118.700 -0.480 0.000 2.118 78 N HA 0.116 4.856 4.740 -0.000 0.000 0.226 78 N C -0.099 174.836 175.510 -0.958 0.000 1.305 78 N CA -0.385 52.337 53.050 -0.547 0.000 0.890 78 N CB 0.225 38.578 38.487 -0.222 0.000 1.118 78 N HN 0.576 nan 8.380 nan 0.000 0.511 79 N N 0.075 118.155 118.700 -1.033 0.000 2.284 79 N HA 0.369 5.109 4.740 -0.000 0.000 0.300 79 N C -1.577 173.299 175.510 -1.056 0.000 1.047 79 N CA -0.811 51.716 53.050 -0.871 0.000 0.821 79 N CB 0.854 39.113 38.487 -0.380 0.000 1.337 79 N HN 0.065 nan 8.380 nan 0.000 0.482 80 F N 0.623 120.510 119.950 -0.105 0.000 2.908 80 F HA 0.427 4.954 4.527 -0.000 0.000 0.328 80 F C 0.596 176.398 175.800 0.004 0.000 1.211 80 F CA -0.551 57.406 58.000 -0.072 0.000 1.291 80 F CB 0.282 39.237 39.000 -0.075 0.000 0.962 80 F HN 0.266 nan 8.300 nan 0.000 0.505 81 S N 0.952 116.699 115.700 0.078 0.000 2.541 81 S HA 0.853 5.323 4.470 -0.000 0.000 0.280 81 S C -0.911 173.763 174.600 0.122 0.000 1.112 81 S CA -0.483 57.785 58.200 0.114 0.000 0.925 81 S CB 1.415 64.650 63.200 0.058 0.000 1.067 81 S HN 0.193 nan 8.310 nan 0.000 0.479 82 A N 5.629 128.562 122.820 0.189 0.000 2.328 82 A HA 0.671 4.991 4.320 -0.000 0.000 0.318 82 A C -2.586 175.150 177.584 0.255 0.000 1.347 82 A CA -1.732 50.411 52.037 0.177 0.000 0.842 82 A CB 0.295 19.388 19.000 0.156 0.000 1.148 82 A HN 0.637 nan 8.150 nan 0.000 0.499 83 P HA -0.136 nan 4.420 nan 0.000 0.269 83 P C 0.339 177.783 177.300 0.240 0.000 1.217 83 P CA 0.201 63.502 63.100 0.334 0.000 0.783 83 P CB 0.596 32.417 31.700 0.202 0.000 0.898 84 Y N 2.036 122.416 120.300 0.133 0.000 2.165 84 Y HA -0.273 4.277 4.550 -0.000 0.000 0.286 84 Y C 1.971 177.866 175.900 -0.008 0.000 1.155 84 Y CA 2.214 60.291 58.100 -0.039 0.000 1.164 84 Y CB -0.710 37.726 38.460 -0.041 0.000 0.978 84 Y HN 0.300 nan 8.280 nan 0.000 0.513 85 D N 0.366 120.790 120.400 0.041 0.000 2.116 85 D HA -0.259 4.381 4.640 -0.000 0.000 0.193 85 D C 2.305 178.527 176.300 -0.130 0.000 0.998 85 D CA 2.026 55.990 54.000 -0.059 0.000 0.836 85 D CB -0.489 40.337 40.800 0.043 0.000 0.951 85 D HN 0.421 nan 8.370 nan 0.000 0.449 86 L N 0.723 121.909 121.223 -0.062 0.000 2.044 86 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 86 L C 2.739 179.552 176.870 -0.096 0.000 1.075 86 L CA 0.510 55.320 54.840 -0.050 0.000 0.747 86 L CB -0.370 41.698 42.059 0.014 0.000 0.903 86 L HN -0.083 nan 8.230 nan 0.000 0.435 87 V N 1.071 120.911 119.914 -0.124 0.000 2.380 87 V HA -0.322 3.798 4.120 -0.000 0.000 0.251 87 V C 2.484 178.433 176.094 -0.241 0.000 1.063 87 V CA 2.296 64.499 62.300 -0.161 0.000 1.055 87 V CB -0.878 30.849 31.823 -0.160 0.000 0.657 87 V HN 0.615 nan 8.190 nan 0.000 0.455 88 K N 1.254 121.412 120.400 -0.403 0.000 2.362 88 K HA -0.146 4.174 4.320 -0.000 0.000 0.200 88 K C 1.718 178.187 176.600 -0.219 0.000 1.046 88 K CA 1.714 57.758 56.287 -0.404 0.000 0.952 88 K CB -0.519 31.577 32.500 -0.672 0.000 0.753 88 K HN 0.621 nan 8.250 nan 0.000 0.466 89 T N -2.215 112.239 114.554 -0.167 0.000 3.044 89 T HA 0.182 4.532 4.350 -0.000 0.000 0.250 89 T C 0.622 175.286 174.700 -0.059 0.000 1.081 89 T CA -0.353 61.689 62.100 -0.096 0.000 1.040 89 T CB 0.059 68.880 68.868 -0.078 0.000 0.962 89 T HN 0.265 nan 8.240 nan 0.000 0.506 90 M N 2.003 121.560 119.600 -0.072 0.000 2.284 90 M HA 0.357 4.836 4.480 -0.000 0.000 0.229 90 M C 0.378 176.620 176.300 -0.097 0.000 0.984 90 M CA -0.663 54.608 55.300 -0.049 0.000 1.016 90 M CB 1.349 33.957 32.600 0.014 0.000 2.379 90 M HN 0.134 nan 8.290 nan 0.000 0.459 91 R N 2.229 122.643 120.500 -0.143 0.000 2.189 91 R HA 0.079 4.419 4.340 -0.000 0.000 0.223 91 R C 1.325 177.430 176.300 -0.325 0.000 1.092 91 R CA 1.504 57.475 56.100 -0.216 0.000 0.989 91 R CB -0.556 29.614 30.300 -0.216 0.000 0.876 91 R HN 0.644 nan 8.270 nan 0.000 0.457 92 A N 1.239 123.871 122.820 -0.313 0.000 2.139 92 A HA -0.133 4.187 4.320 -0.000 0.000 0.221 92 A C 2.032 179.297 177.584 -0.533 0.000 1.159 92 A CA 1.589 53.321 52.037 -0.508 0.000 0.662 92 A CB -0.591 18.323 19.000 -0.144 0.000 0.796 92 A HN 0.424 nan 8.150 nan 0.000 0.463 93 S N -0.597 114.933 115.700 -0.283 0.000 2.440 93 S HA -0.176 4.294 4.470 -0.000 0.000 0.238 93 S C 1.661 176.049 174.600 -0.353 0.000 1.010 93 S CA 1.275 59.349 58.200 -0.210 0.000 0.972 93 S CB -0.431 62.750 63.200 -0.032 0.000 0.774 93 S HN 0.620 nan 8.310 nan 0.000 0.501 94 I N 0.734 121.055 120.570 -0.415 0.000 2.423 94 I HA -0.108 4.062 4.170 -0.000 0.000 0.254 94 I C 1.353 177.314 176.117 -0.260 0.000 1.151 94 I CA 0.916 62.004 61.300 -0.352 0.000 1.421 94 I CB -0.347 37.352 38.000 -0.502 0.000 1.079 94 I HN 0.393 nan 8.210 nan 0.000 0.431 95 W N 0.483 121.476 121.300 -0.512 0.000 2.848 95 W HA 0.084 4.744 4.660 -0.000 0.000 0.241 95 W C 2.307 178.642 176.519 -0.308 0.000 1.289 95 W CA 0.724 57.797 57.345 -0.452 0.000 1.396 95 W CB -1.145 27.941 29.460 -0.624 0.000 1.138 95 W HN 0.302 nan 8.180 nan 0.000 0.677 96 A N -0.398 122.382 122.820 -0.066 0.000 2.021 96 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 96 A C 1.955 179.677 177.584 0.230 0.000 1.163 96 A CA 0.740 52.938 52.037 0.269 0.000 0.676 96 A CB -0.602 18.599 19.000 0.335 0.000 0.818 96 A HN 0.123 nan 8.150 nan 0.000 0.453 97 L N 0.342 121.660 121.223 0.158 0.000 1.990 97 L HA -0.114 4.226 4.340 -0.000 0.000 0.213 97 L C 2.473 179.447 176.870 0.173 0.000 1.072 97 L CA 2.432 57.367 54.840 0.158 0.000 0.755 97 L CB -1.087 41.042 42.059 0.117 0.000 0.889 97 L HN 0.329 nan 8.230 nan 0.000 0.432 98 G N -0.870 108.039 108.800 0.182 0.000 2.480 98 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 98 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 98 G C -0.629 174.362 174.900 0.151 0.000 1.200 98 G CA 1.011 46.205 45.100 0.156 0.000 0.782 98 G HN 0.378 nan 8.290 nan 0.000 0.554 99 P HA -0.041 nan 4.420 nan 0.000 0.215 99 P C 2.126 179.569 177.300 0.239 0.000 1.153 99 P CA 0.726 63.939 63.100 0.189 0.000 0.853 99 P CB -0.117 31.725 31.700 0.236 0.000 0.788 100 L N -1.051 120.357 121.223 0.308 0.000 2.017 100 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 100 L C 2.483 179.548 176.870 0.325 0.000 1.073 100 L CA 1.402 56.500 54.840 0.430 0.000 0.745 100 L CB -1.189 41.096 42.059 0.375 0.000 0.894 100 L HN -0.092 nan 8.230 nan 0.000 0.432 101 V N -0.223 119.805 119.914 0.191 0.000 2.515 101 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 101 V C 2.530 178.663 176.094 0.065 0.000 1.058 101 V CA 1.677 64.042 62.300 0.109 0.000 1.064 101 V CB 0.026 31.897 31.823 0.080 0.000 0.675 101 V HN 0.418 nan 8.190 nan 0.000 0.461 102 A N -0.087 122.771 122.820 0.063 0.000 1.930 102 A HA -0.167 4.152 4.320 -0.000 0.000 0.217 102 A C 2.418 179.970 177.584 -0.054 0.000 1.175 102 A CA 1.874 53.916 52.037 0.008 0.000 0.627 102 A CB -0.473 18.536 19.000 0.016 0.000 0.815 102 A HN 0.578 nan 8.150 nan 0.000 0.443 103 R N -2.360 118.086 120.500 -0.091 0.000 2.146 103 R HA 0.159 4.499 4.340 -0.000 0.000 0.206 103 R C 0.745 176.729 176.300 -0.527 0.000 1.049 103 R CA 0.770 56.660 56.100 -0.349 0.000 1.029 103 R CB 0.027 30.014 30.300 -0.521 0.000 0.949 103 R HN 0.464 nan 8.270 nan 0.000 0.471 104 F N -0.880 119.066 119.950 -0.008 0.000 2.682 104 F HA 0.400 4.927 4.527 -0.000 0.000 0.308 104 F C 1.310 176.995 175.800 -0.192 0.000 1.093 104 F CA 0.374 58.309 58.000 -0.108 0.000 1.244 104 F CB 1.379 40.264 39.000 -0.192 0.000 1.052 104 F HN 0.248 nan 8.300 nan 0.000 0.573 105 G N 1.137 109.941 108.800 0.007 0.000 2.162 105 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 105 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 105 G C 0.035 174.905 174.900 -0.051 0.000 0.976 105 G CA 0.458 45.539 45.100 -0.031 0.000 0.655 105 G HN 0.535 nan 8.290 nan 0.000 0.533 106 Q N -1.759 118.004 119.800 -0.063 0.000 2.522 106 Q HA 0.652 4.992 4.340 -0.000 0.000 0.285 106 Q C -0.524 175.492 176.000 0.026 0.000 0.982 106 Q CA -0.550 55.211 55.803 -0.070 0.000 0.805 106 Q CB 1.689 30.313 28.738 -0.190 0.000 1.457 106 Q HN 1.668 nan 8.270 nan 0.000 0.394 107 G N 1.073 109.925 108.800 0.088 0.000 2.658 107 G HA2 0.462 4.422 3.960 -0.000 0.000 0.301 107 G HA3 0.462 4.422 3.960 -0.000 0.000 0.301 107 G C -2.099 172.892 174.900 0.152 0.000 1.481 107 G CA -0.627 44.576 45.100 0.172 0.000 0.931 107 G HN 0.418 nan 8.290 nan 0.000 0.573 108 Q N -0.023 119.884 119.800 0.179 0.000 2.310 108 Q HA 0.689 5.029 4.340 -0.000 0.000 0.270 108 Q C -0.553 175.601 176.000 0.255 0.000 1.025 108 Q CA -0.727 55.195 55.803 0.198 0.000 0.772 108 Q CB 3.035 31.863 28.738 0.151 0.000 1.253 108 Q HN 0.520 nan 8.270 nan 0.000 0.450 109 V N 0.985 121.043 119.914 0.239 0.000 2.709 109 V HA 0.509 4.629 4.120 -0.000 0.000 0.308 109 V C -0.272 175.856 176.094 0.057 0.000 1.062 109 V CA -0.933 61.465 62.300 0.164 0.000 0.901 109 V CB 2.250 34.110 31.823 0.061 0.000 1.003 109 V HN 0.784 nan 8.190 nan 0.000 0.425 110 S N 3.940 119.565 115.700 -0.126 0.000 2.537 110 S HA 0.264 4.734 4.470 -0.000 0.000 0.286 110 S C -0.127 174.345 174.600 -0.214 0.000 1.299 110 S CA -0.348 57.567 58.200 -0.475 0.000 1.067 110 S CB 0.079 63.030 63.200 -0.415 0.000 0.864 110 S HN 0.642 nan 8.310 nan 0.000 0.494 111 L N 7.125 128.236 121.223 -0.186 0.000 2.477 111 L HA 0.274 4.614 4.340 -0.000 0.000 0.272 111 L C -1.999 174.813 176.870 -0.097 0.000 1.157 111 L CA -1.638 53.135 54.840 -0.112 0.000 0.889 111 L CB 0.538 42.552 42.059 -0.076 0.000 1.158 111 L HN 0.547 nan 8.230 nan 0.000 0.473 112 P HA 0.071 nan 4.420 nan 0.000 0.266 112 P C 0.028 177.287 177.300 -0.069 0.000 1.195 112 P CA -0.089 62.943 63.100 -0.114 0.000 0.768 112 P CB 0.775 32.379 31.700 -0.160 0.000 0.838 113 G N 1.463 110.237 108.800 -0.043 0.000 2.630 113 G HA2 0.499 4.459 3.960 -0.000 0.000 0.223 113 G HA3 0.499 4.459 3.960 -0.000 0.000 0.223 113 G C 0.135 175.015 174.900 -0.032 0.000 1.434 113 G CA -0.404 44.687 45.100 -0.016 0.000 1.057 113 G HN 0.624 nan 8.290 nan 0.000 0.570 114 G N -1.041 107.747 108.800 -0.019 0.000 2.569 114 G HA2 0.413 4.373 3.960 -0.000 0.000 0.249 114 G HA3 0.413 4.373 3.960 -0.000 0.000 0.249 114 G C -0.031 174.846 174.900 -0.038 0.000 1.216 114 G CA 0.616 45.702 45.100 -0.024 0.000 0.845 114 G HN 0.738 nan 8.290 nan 0.000 0.568 115 S N -0.752 114.919 115.700 -0.048 0.000 2.689 115 S HA 0.587 5.057 4.470 -0.000 0.000 0.306 115 S C 1.468 176.027 174.600 -0.069 0.000 1.104 115 S CA 0.237 58.395 58.200 -0.071 0.000 0.973 115 S CB 1.563 64.695 63.200 -0.113 0.000 1.121 115 S HN 1.143 nan 8.310 nan 0.000 0.523 116 A N 1.921 124.695 122.820 -0.077 0.000 1.933 116 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 116 A C 1.786 179.309 177.584 -0.101 0.000 1.175 116 A CA 1.762 53.755 52.037 -0.073 0.000 0.628 116 A CB -0.985 17.967 19.000 -0.079 0.000 0.814 116 A HN 1.023 nan 8.150 nan 0.000 0.444 117 I N -4.579 115.888 120.570 -0.172 0.000 3.875 117 I HA 0.538 4.708 4.170 -0.000 0.000 0.329 117 I C 0.648 176.691 176.117 -0.124 0.000 1.295 117 I CA 0.312 61.492 61.300 -0.199 0.000 1.129 117 I CB -0.190 37.577 38.000 -0.389 0.000 1.008 117 I HN 0.271 nan 8.210 nan 0.000 0.413 118 G N 0.075 108.833 108.800 -0.071 0.000 2.339 118 G HA2 0.368 4.328 3.960 -0.000 0.000 0.302 118 G HA3 0.368 4.328 3.960 -0.000 0.000 0.302 118 G C 0.105 175.015 174.900 0.017 0.000 1.425 118 G CA -0.304 44.811 45.100 0.025 0.000 0.899 118 G HN 0.045 nan 8.290 nan 0.000 0.619 119 A N -0.012 122.828 122.820 0.033 0.000 1.933 119 A HA 0.175 4.495 4.320 -0.000 0.000 0.218 119 A C 1.614 179.208 177.584 0.017 0.000 1.175 119 A CA 1.951 53.997 52.037 0.016 0.000 0.628 119 A CB -0.596 18.413 19.000 0.015 0.000 0.814 119 A HN 1.553 nan 8.150 nan 0.000 0.444 120 R N -1.106 119.430 120.500 0.060 0.000 3.127 120 R HA -0.125 4.215 4.340 -0.000 0.000 0.247 120 R C -2.279 174.027 176.300 0.009 0.000 0.896 120 R CA 0.383 56.524 56.100 0.069 0.000 0.624 120 R CB -1.995 28.340 30.300 0.059 0.000 1.154 120 R HN 0.560 nan 8.270 nan 0.000 0.474 121 P HA 0.018 nan 4.420 nan 0.000 0.271 121 P C 0.655 177.946 177.300 -0.016 0.000 1.244 121 P CA 0.030 63.124 63.100 -0.010 0.000 0.793 121 P CB 0.689 32.391 31.700 0.003 0.000 0.984 122 V N -3.207 116.685 119.914 -0.037 0.000 3.070 122 V HA 0.082 4.202 4.120 -0.000 0.000 0.345 122 V C 1.471 177.613 176.094 0.080 0.000 1.403 122 V CA 0.183 62.451 62.300 -0.053 0.000 1.155 122 V CB -0.603 31.056 31.823 -0.273 0.000 1.140 122 V HN 0.509 nan 8.190 nan 0.000 0.505 123 D N 1.524 121.970 120.400 0.076 0.000 2.190 123 D HA -0.263 4.377 4.640 -0.000 0.000 0.200 123 D C 1.715 178.114 176.300 0.165 0.000 0.992 123 D CA 1.631 55.689 54.000 0.096 0.000 0.854 123 D CB -0.047 40.781 40.800 0.045 0.000 0.936 123 D HN 0.545 nan 8.370 nan 0.000 0.462 124 L N -0.233 121.096 121.223 0.177 0.000 2.156 124 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 124 L C 2.780 179.798 176.870 0.247 0.000 1.095 124 L CA 0.737 55.694 54.840 0.195 0.000 0.770 124 L CB -0.573 41.552 42.059 0.110 0.000 0.914 124 L HN 0.108 nan 8.230 nan 0.000 0.439 125 H N -0.008 119.130 119.070 0.114 0.000 2.326 125 H HA -0.107 4.448 4.556 -0.000 0.000 0.301 125 H C 2.437 177.828 175.328 0.105 0.000 1.081 125 H CA 1.616 57.728 56.048 0.106 0.000 1.334 125 H CB 0.184 29.986 29.762 0.067 0.000 1.385 125 H HN 0.311 nan 8.280 nan 0.000 0.504 126 I N 0.342 121.061 120.570 0.250 0.000 2.179 126 I HA -0.286 3.883 4.170 -0.000 0.000 0.242 126 I C 2.515 178.728 176.117 0.161 0.000 1.088 126 I CA 1.067 62.466 61.300 0.166 0.000 1.357 126 I CB -0.345 37.734 38.000 0.133 0.000 1.051 126 I HN 0.082 nan 8.210 nan 0.000 0.409 127 F N 1.914 121.900 119.950 0.061 0.000 2.095 127 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 127 F C 2.311 178.134 175.800 0.037 0.000 1.104 127 F CA 1.820 59.844 58.000 0.041 0.000 1.232 127 F CB -0.923 38.096 39.000 0.033 0.000 0.987 127 F HN 0.001 nan 8.300 nan 0.000 0.475 128 G N 0.751 109.582 108.800 0.053 0.000 2.446 128 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 128 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 128 G C 1.799 176.641 174.900 -0.096 0.000 1.168 128 G CA 1.120 46.183 45.100 -0.062 0.000 0.771 128 G HN 0.446 nan 8.290 nan 0.000 0.551 129 L N 0.061 121.275 121.223 -0.016 0.000 2.083 129 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 129 L C 2.875 179.713 176.870 -0.053 0.000 1.083 129 L CA 1.213 56.048 54.840 -0.009 0.000 0.752 129 L CB -0.422 41.665 42.059 0.046 0.000 0.899 129 L HN 0.321 nan 8.230 nan 0.000 0.433 130 E N -0.151 119.997 120.200 -0.086 0.000 2.106 130 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 130 E C 2.089 178.588 176.600 -0.168 0.000 0.984 130 E CA 0.679 57.016 56.400 -0.105 0.000 0.806 130 E CB 0.115 29.759 29.700 -0.093 0.000 0.750 130 E HN 0.273 nan 8.360 nan 0.000 0.458 131 K N 0.466 120.692 120.400 -0.289 0.000 2.283 131 K HA -0.056 4.264 4.320 -0.000 0.000 0.202 131 K C 1.799 178.312 176.600 -0.144 0.000 1.048 131 K CA 0.634 56.753 56.287 -0.280 0.000 0.948 131 K CB 0.036 32.282 32.500 -0.422 0.000 0.742 131 K HN 0.238 nan 8.250 nan 0.000 0.458 132 L N -0.352 120.806 121.223 -0.109 0.000 2.591 132 L HA 0.054 4.394 4.340 -0.000 0.000 0.228 132 L C 1.143 177.985 176.870 -0.048 0.000 1.133 132 L CA 0.469 55.272 54.840 -0.062 0.000 0.880 132 L CB -0.033 42.000 42.059 -0.043 0.000 1.033 132 L HN 0.370 nan 8.230 nan 0.000 0.450 133 G N -0.409 108.358 108.800 -0.054 0.000 2.201 133 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.212 133 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.212 133 G C 0.392 175.276 174.900 -0.027 0.000 0.994 133 G CA -0.137 44.941 45.100 -0.038 0.000 0.644 133 G HN 0.424 nan 8.290 nan 0.000 0.508 134 A N 0.292 123.097 122.820 -0.024 0.000 2.425 134 A HA 0.618 4.938 4.320 -0.000 0.000 0.249 134 A C 0.346 177.927 177.584 -0.005 0.000 1.084 134 A CA 0.659 52.692 52.037 -0.008 0.000 0.781 134 A CB 0.502 19.506 19.000 0.006 0.000 1.019 134 A HN 0.601 nan 8.150 nan 0.000 0.490 135 E N 2.034 122.236 120.200 0.003 0.000 2.156 135 E HA 0.462 4.812 4.350 -0.000 0.000 0.279 135 E C -1.099 175.513 176.600 0.020 0.000 0.965 135 E CA -0.527 55.878 56.400 0.008 0.000 0.789 135 E CB 0.564 30.268 29.700 0.006 0.000 1.098 135 E HN 0.504 nan 8.360 nan 0.000 0.397 136 I N 4.281 124.867 120.570 0.026 0.000 2.406 136 I HA 0.371 4.541 4.170 -0.000 0.000 0.290 136 I C -0.276 175.865 176.117 0.039 0.000 0.999 136 I CA -0.698 60.625 61.300 0.038 0.000 1.124 136 I CB 1.408 39.435 38.000 0.046 0.000 1.289 136 I HN 0.516 nan 8.210 nan 0.000 0.441 137 K N 5.124 125.551 120.400 0.044 0.000 2.422 137 K HA 0.601 4.921 4.320 -0.000 0.000 0.251 137 K C -1.305 175.327 176.600 0.054 0.000 0.933 137 K CA -0.895 55.418 56.287 0.043 0.000 0.798 137 K CB 3.203 35.726 32.500 0.037 0.000 1.238 137 K HN 0.314 nan 8.250 nan 0.000 0.428 138 L N 2.857 124.110 121.223 0.050 0.000 2.298 138 L HA 0.344 4.684 4.340 -0.000 0.000 0.284 138 L C -1.177 175.729 176.870 0.060 0.000 1.013 138 L CA 0.184 55.059 54.840 0.058 0.000 0.824 138 L CB 0.822 42.905 42.059 0.040 0.000 1.221 138 L HN 0.677 nan 8.230 nan 0.000 0.418 139 E N 3.301 123.554 120.200 0.089 0.000 2.278 139 E HA 0.388 4.737 4.350 -0.000 0.000 0.272 139 E C -0.835 175.843 176.600 0.131 0.000 0.890 139 E CA -0.693 55.756 56.400 0.081 0.000 0.770 139 E CB 1.174 30.909 29.700 0.059 0.000 1.212 139 E HN 0.638 nan 8.360 nan 0.000 0.415 140 E N 1.374 121.630 120.200 0.094 0.000 2.637 140 E HA -0.297 4.053 4.350 -0.000 0.000 0.265 140 E C 0.680 177.365 176.600 0.142 0.000 1.073 140 E CA 0.657 57.125 56.400 0.113 0.000 0.778 140 E CB -1.618 28.165 29.700 0.138 0.000 1.362 140 E HN 1.196 nan 8.360 nan 0.000 0.413 141 G N -1.080 107.751 108.800 0.051 0.000 2.179 141 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 141 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 141 G C -0.228 174.571 174.900 -0.168 0.000 0.977 141 G CA 0.527 45.584 45.100 -0.071 0.000 0.641 141 G HN 0.308 nan 8.290 nan 0.000 0.533 142 Y N -0.458 119.854 120.300 0.020 0.000 2.331 142 Y HA 0.561 5.111 4.550 -0.000 0.000 0.338 142 Y C 0.588 176.505 175.900 0.028 0.000 0.992 142 Y CA -0.713 57.407 58.100 0.033 0.000 1.121 142 Y CB 2.061 40.544 38.460 0.037 0.000 1.184 142 Y HN 0.139 nan 8.280 nan 0.000 0.469 143 V N 5.943 125.931 119.914 0.123 0.000 2.455 143 V HA 0.285 4.404 4.120 -0.000 0.000 0.273 143 V C -0.685 175.486 176.094 0.129 0.000 1.045 143 V CA -0.506 61.850 62.300 0.093 0.000 0.976 143 V CB 0.277 32.129 31.823 0.048 0.000 0.993 143 V HN 0.693 nan 8.190 nan 0.000 0.475 144 K N 6.596 127.059 120.400 0.106 0.000 2.425 144 K HA 0.707 5.027 4.320 -0.000 0.000 0.259 144 K C -0.509 176.132 176.600 0.069 0.000 0.978 144 K CA -0.307 56.037 56.287 0.095 0.000 0.883 144 K CB 1.907 34.455 32.500 0.081 0.000 1.110 144 K HN 0.763 nan 8.250 nan 0.000 0.436 145 A N 1.975 124.837 122.820 0.071 0.000 2.312 145 A HA 0.716 5.035 4.320 -0.000 0.000 0.326 145 A C -0.347 177.260 177.584 0.038 0.000 1.172 145 A CA -0.524 51.546 52.037 0.055 0.000 0.821 145 A CB 0.878 19.918 19.000 0.067 0.000 1.166 145 A HN 0.698 nan 8.150 nan 0.000 0.493 146 S N 0.008 115.721 115.700 0.022 0.000 2.550 146 S HA 0.740 5.210 4.470 -0.000 0.000 0.270 146 S C -1.266 173.333 174.600 -0.001 0.000 1.145 146 S CA -0.530 57.672 58.200 0.004 0.000 0.852 146 S CB 1.313 64.512 63.200 -0.002 0.000 1.119 146 S HN 2.050 nan 8.310 nan 0.000 0.465 147 V N 1.443 121.351 119.914 -0.011 0.000 3.000 147 V HA 0.525 4.645 4.120 -0.000 0.000 0.300 147 V C -1.412 174.671 176.094 -0.019 0.000 1.251 147 V CA -0.729 61.563 62.300 -0.013 0.000 0.972 147 V CB 1.982 33.798 31.823 -0.012 0.000 1.065 147 V HN 1.111 nan 8.190 nan 0.000 0.431 148 N N 4.460 123.150 118.700 -0.018 0.000 2.439 148 N HA 0.544 5.284 4.740 -0.000 0.000 0.243 148 N C 0.364 175.862 175.510 -0.020 0.000 1.088 148 N CA 0.828 53.867 53.050 -0.019 0.000 0.940 148 N CB 0.705 39.183 38.487 -0.015 0.000 1.180 148 N HN 1.389 nan 8.380 nan 0.000 0.505 149 G N 2.593 111.379 108.800 -0.024 0.000 2.499 149 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.232 149 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.232 149 G C -0.613 174.268 174.900 -0.031 0.000 1.251 149 G CA -0.712 44.372 45.100 -0.027 0.000 0.917 149 G HN 0.575 nan 8.290 nan 0.000 0.580 150 R N -0.276 120.205 120.500 -0.032 0.000 2.459 150 R HA 0.538 4.878 4.340 -0.000 0.000 0.281 150 R C 0.829 177.112 176.300 -0.029 0.000 1.050 150 R CA -0.579 55.500 56.100 -0.035 0.000 1.055 150 R CB 0.610 30.888 30.300 -0.037 0.000 1.045 150 R HN 0.461 nan 8.270 nan 0.000 0.495 151 L N 2.054 123.260 121.223 -0.028 0.000 2.474 151 L HA 0.146 4.486 4.340 -0.000 0.000 0.259 151 L C 0.449 177.302 176.870 -0.027 0.000 1.232 151 L CA 0.435 55.260 54.840 -0.025 0.000 0.821 151 L CB 0.193 42.239 42.059 -0.021 0.000 1.108 151 L HN 0.361 nan 8.230 nan 0.000 0.495 152 K N 0.226 120.610 120.400 -0.027 0.000 2.345 152 K HA 0.385 4.705 4.320 -0.000 0.000 0.255 152 K C -0.205 176.379 176.600 -0.027 0.000 0.934 152 K CA -0.694 55.577 56.287 -0.026 0.000 0.801 152 K CB 1.841 34.327 32.500 -0.024 0.000 1.137 152 K HN 0.712 nan 8.250 nan 0.000 0.424 153 G N 1.136 109.920 108.800 -0.025 0.000 2.474 153 G HA2 0.370 4.330 3.960 -0.000 0.000 0.233 153 G HA3 0.370 4.330 3.960 -0.000 0.000 0.233 153 G C -0.611 174.280 174.900 -0.016 0.000 1.278 153 G CA -0.086 44.999 45.100 -0.024 0.000 0.861 153 G HN 0.617 nan 8.290 nan 0.000 0.567 154 A N 1.306 124.121 122.820 -0.008 0.000 2.606 154 A HA 0.638 4.958 4.320 -0.000 0.000 0.293 154 A C -0.918 176.707 177.584 0.069 0.000 1.082 154 A CA -0.725 51.323 52.037 0.017 0.000 0.685 154 A CB 1.054 20.046 19.000 -0.013 0.000 1.284 154 A HN 0.967 nan 8.150 nan 0.000 0.408 155 H N 1.049 120.110 119.070 -0.015 0.000 2.705 155 H HA 0.610 5.166 4.556 -0.000 0.000 0.291 155 H C -0.888 174.448 175.328 0.013 0.000 1.085 155 H CA -0.366 55.682 56.048 0.000 0.000 1.357 155 H CB 0.189 29.954 29.762 0.005 0.000 1.419 155 H HN 0.482 nan 8.280 nan 0.000 0.462 156 I N 6.056 126.786 120.570 0.267 0.000 2.404 156 I HA 0.199 4.369 4.170 -0.000 0.000 0.293 156 I C -0.625 175.601 176.117 0.183 0.000 0.992 156 I CA -1.050 60.352 61.300 0.171 0.000 1.149 156 I CB 1.956 40.028 38.000 0.119 0.000 1.315 156 I HN 0.300 nan 8.210 nan 0.000 0.446 157 V N 6.345 126.348 119.914 0.149 0.000 2.357 157 V HA 0.360 4.480 4.120 -0.000 0.000 0.284 157 V C 0.303 176.457 176.094 0.100 0.000 1.018 157 V CA -0.669 61.685 62.300 0.090 0.000 0.841 157 V CB 1.449 33.277 31.823 0.007 0.000 0.991 157 V HN 0.603 nan 8.190 nan 0.000 0.437 158 M N 2.993 122.636 119.600 0.071 0.000 2.188 158 M HA 0.247 4.727 4.480 -0.000 0.000 0.354 158 M C 0.803 177.084 176.300 -0.033 0.000 1.342 158 M CA -0.079 55.240 55.300 0.031 0.000 1.117 158 M CB 0.468 33.091 32.600 0.038 0.000 1.670 158 M HN 0.525 nan 8.290 nan 0.000 0.466 159 D N 2.516 122.856 120.400 -0.100 0.000 2.310 159 D HA 0.016 4.656 4.640 -0.000 0.000 0.212 159 D C 0.133 176.389 176.300 -0.075 0.000 0.965 159 D CA 1.242 55.175 54.000 -0.112 0.000 0.879 159 D CB 0.507 41.197 40.800 -0.183 0.000 0.921 159 D HN 0.514 nan 8.370 nan 0.000 0.510 160 K N -0.699 119.667 120.400 -0.057 0.000 2.532 160 K HA 0.378 4.698 4.320 -0.000 0.000 0.265 160 K C -1.163 175.421 176.600 -0.027 0.000 0.948 160 K CA -0.801 55.459 56.287 -0.045 0.000 0.842 160 K CB 3.288 35.758 32.500 -0.050 0.000 1.392 160 K HN -0.348 nan 8.250 nan 0.000 0.436 161 V N 1.938 121.836 119.914 -0.027 0.000 2.439 161 V HA 0.145 4.265 4.120 -0.000 0.000 0.271 161 V C -0.103 175.983 176.094 -0.014 0.000 1.040 161 V CA 0.141 62.433 62.300 -0.013 0.000 1.002 161 V CB 0.896 32.711 31.823 -0.013 0.000 1.000 161 V HN 0.693 nan 8.190 nan 0.000 0.477 162 S N 4.237 119.940 115.700 0.004 0.000 2.647 162 S HA 0.395 4.865 4.470 -0.000 0.000 0.300 162 S C 0.568 175.196 174.600 0.047 0.000 1.129 162 S CA -0.614 57.598 58.200 0.021 0.000 1.029 162 S CB 1.876 65.091 63.200 0.025 0.000 1.007 162 S HN 0.326 nan 8.310 nan 0.000 0.484 163 V N 5.430 125.394 119.914 0.083 0.000 2.261 163 V HA -0.041 4.079 4.120 -0.000 0.000 0.246 163 V C 2.636 178.858 176.094 0.213 0.000 1.047 163 V CA 2.661 65.038 62.300 0.128 0.000 1.015 163 V CB -1.188 30.732 31.823 0.161 0.000 0.642 163 V HN 0.956 nan 8.190 nan 0.000 0.446 164 G N -0.599 108.379 108.800 0.296 0.000 2.421 164 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 164 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 164 G C 1.772 176.689 174.900 0.028 0.000 1.171 164 G CA 1.049 46.436 45.100 0.478 0.000 0.775 164 G HN 0.616 nan 8.290 nan 0.000 0.543 165 A N 0.140 122.749 122.820 -0.352 0.000 1.933 165 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 165 A C 2.517 179.984 177.584 -0.195 0.000 1.175 165 A CA 2.413 54.089 52.037 -0.602 0.000 0.628 165 A CB -0.903 17.947 19.000 -0.249 0.000 0.814 165 A HN 0.303 nan 8.150 nan 0.000 0.444 166 T N -0.350 114.168 114.554 -0.059 0.000 2.746 166 T HA -0.125 4.224 4.350 -0.000 0.000 0.267 166 T C 1.874 176.558 174.700 -0.027 0.000 1.039 166 T CA 1.610 63.699 62.100 -0.019 0.000 1.142 166 T CB -0.405 68.466 68.868 0.004 0.000 0.866 166 T HN 0.164 nan 8.240 nan 0.000 0.444 167 V N 1.293 121.199 119.914 -0.014 0.000 2.295 167 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 167 V C 2.802 178.856 176.094 -0.067 0.000 1.049 167 V CA 1.996 64.230 62.300 -0.110 0.000 1.024 167 V CB -1.094 30.527 31.823 -0.336 0.000 0.648 167 V HN 0.506 nan 8.190 nan 0.000 0.447 168 T N 0.348 114.936 114.554 0.057 0.000 2.652 168 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 168 T C 1.792 176.522 174.700 0.050 0.000 1.039 168 T CA 2.078 64.255 62.100 0.128 0.000 1.153 168 T CB -0.299 68.684 68.868 0.192 0.000 0.863 168 T HN 0.343 nan 8.240 nan 0.000 0.428 169 I N 0.725 121.299 120.570 0.007 0.000 2.179 169 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 169 I C 2.596 178.711 176.117 -0.003 0.000 1.088 169 I CA 1.298 62.601 61.300 0.006 0.000 1.357 169 I CB -0.408 37.594 38.000 0.004 0.000 1.051 169 I HN 0.276 nan 8.210 nan 0.000 0.409 170 M N 0.409 119.999 119.600 -0.016 0.000 2.117 170 M HA -0.210 4.270 4.480 -0.000 0.000 0.262 170 M C 2.437 178.720 176.300 -0.027 0.000 1.065 170 M CA 1.896 57.180 55.300 -0.026 0.000 1.114 170 M CB -0.019 32.559 32.600 -0.038 0.000 1.361 170 M HN 0.113 nan 8.290 nan 0.000 0.408 171 S N 0.886 116.571 115.700 -0.024 0.000 2.348 171 S HA -0.087 4.383 4.470 -0.000 0.000 0.221 171 S C 2.051 176.654 174.600 0.006 0.000 1.033 171 S CA 1.418 59.612 58.200 -0.010 0.000 1.010 171 S CB -0.597 62.603 63.200 0.001 0.000 0.891 171 S HN 0.701 nan 8.310 nan 0.000 0.442 172 A N 1.507 124.339 122.820 0.021 0.000 1.933 172 A HA 0.129 4.449 4.320 -0.000 0.000 0.218 172 A C 2.317 179.898 177.584 -0.004 0.000 1.175 172 A CA 1.639 53.690 52.037 0.022 0.000 0.628 172 A CB -1.026 17.996 19.000 0.036 0.000 0.814 172 A HN 0.520 nan 8.150 nan 0.000 0.444 173 A N -0.056 122.757 122.820 -0.012 0.000 2.070 173 A HA -0.093 4.226 4.320 -0.000 0.000 0.220 173 A C 2.323 179.887 177.584 -0.033 0.000 1.159 173 A CA 2.293 54.316 52.037 -0.023 0.000 0.656 173 A CB -1.387 17.599 19.000 -0.024 0.000 0.800 173 A HN 0.817 nan 8.150 nan 0.000 0.453 174 T N -2.162 112.369 114.554 -0.037 0.000 2.881 174 T HA -0.018 4.332 4.350 -0.000 0.000 0.270 174 T C 1.296 175.965 174.700 -0.052 0.000 1.068 174 T CA 1.441 63.511 62.100 -0.050 0.000 1.131 174 T CB -0.323 68.507 68.868 -0.062 0.000 0.871 174 T HN 0.334 nan 8.240 nan 0.000 0.479 175 L N 0.431 121.626 121.223 -0.047 0.000 2.769 175 L HA 0.541 4.881 4.340 -0.000 0.000 0.240 175 L C 1.314 178.156 176.870 -0.047 0.000 1.163 175 L CA -0.566 54.242 54.840 -0.054 0.000 0.962 175 L CB -0.205 41.815 42.059 -0.065 0.000 1.258 175 L HN 0.295 nan 8.230 nan 0.000 0.513 176 A N 0.326 123.122 122.820 -0.039 0.000 2.313 176 A HA 0.203 4.523 4.320 -0.000 0.000 0.261 176 A C 0.145 177.708 177.584 -0.035 0.000 1.090 176 A CA -0.226 51.790 52.037 -0.035 0.000 0.807 176 A CB 0.354 19.336 19.000 -0.030 0.000 1.055 176 A HN 0.259 nan 8.150 nan 0.000 0.492 177 E N 0.039 120.220 120.200 -0.032 0.000 2.052 177 E HA 0.453 4.803 4.350 -0.000 0.000 0.283 177 E C 0.623 177.206 176.600 -0.028 0.000 1.071 177 E CA 0.862 57.244 56.400 -0.029 0.000 0.851 177 E CB 0.010 29.694 29.700 -0.027 0.000 1.066 177 E HN 1.344 nan 8.360 nan 0.000 0.396 178 G N 2.894 111.677 108.800 -0.029 0.000 2.472 178 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.205 178 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.205 178 G C -0.498 174.382 174.900 -0.033 0.000 1.270 178 G CA -0.479 44.604 45.100 -0.028 0.000 0.974 178 G HN 0.487 nan 8.290 nan 0.000 0.542 179 T N 1.204 115.737 114.554 -0.034 0.000 2.795 179 T HA 0.680 5.030 4.350 -0.000 0.000 0.282 179 T C 0.000 174.673 174.700 -0.046 0.000 0.980 179 T CA 0.323 62.397 62.100 -0.043 0.000 1.012 179 T CB 1.506 70.344 68.868 -0.051 0.000 0.936 179 T HN 0.723 nan 8.240 nan 0.000 0.457 180 T N 3.640 118.165 114.554 -0.048 0.000 2.856 180 T HA 0.650 5.000 4.350 -0.000 0.000 0.283 180 T C -0.391 174.272 174.700 -0.061 0.000 1.008 180 T CA -0.506 61.569 62.100 -0.042 0.000 0.997 180 T CB 0.660 69.512 68.868 -0.028 0.000 0.992 180 T HN 0.412 nan 8.240 nan 0.000 0.454 181 I N 3.441 123.972 120.570 -0.066 0.000 2.447 181 I HA 0.445 4.614 4.170 -0.000 0.000 0.287 181 I C -0.676 175.458 176.117 0.029 0.000 1.023 181 I CA -0.760 60.483 61.300 -0.095 0.000 1.083 181 I CB 1.861 39.647 38.000 -0.357 0.000 1.245 181 I HN 0.467 nan 8.210 nan 0.000 0.434 182 I N 5.826 126.413 120.570 0.029 0.000 2.330 182 I HA 0.254 4.424 4.170 -0.000 0.000 0.286 182 I C 0.079 176.243 176.117 0.078 0.000 1.025 182 I CA -0.503 60.837 61.300 0.066 0.000 1.197 182 I CB 0.809 38.831 38.000 0.036 0.000 1.358 182 I HN 0.450 nan 8.210 nan 0.000 0.467 183 E N 5.376 125.653 120.200 0.128 0.000 2.227 183 E HA 0.124 4.474 4.350 -0.000 0.000 0.282 183 E C 0.017 176.659 176.600 0.070 0.000 1.015 183 E CA -0.207 56.261 56.400 0.113 0.000 0.823 183 E CB 1.156 30.954 29.700 0.162 0.000 1.081 183 E HN 0.559 nan 8.360 nan 0.000 0.396 184 N N 1.222 119.951 118.700 0.049 0.000 2.816 184 N HA -0.190 4.550 4.740 -0.000 0.000 0.247 184 N C -1.174 174.353 175.510 0.029 0.000 1.100 184 N CA 0.780 53.848 53.050 0.030 0.000 0.687 184 N CB -1.012 37.487 38.487 0.021 0.000 1.003 184 N HN 0.539 nan 8.380 nan 0.000 0.554 185 A N -0.013 122.826 122.820 0.031 0.000 2.366 185 A HA 0.724 5.044 4.320 -0.000 0.000 0.249 185 A C 0.930 178.528 177.584 0.024 0.000 1.084 185 A CA 0.177 52.229 52.037 0.026 0.000 0.794 185 A CB 0.295 19.308 19.000 0.021 0.000 1.034 185 A HN 0.913 nan 8.150 nan 0.000 0.491 186 A N 0.388 123.222 122.820 0.023 0.000 2.388 186 A HA 0.510 4.830 4.320 -0.000 0.000 0.257 186 A C 0.688 178.293 177.584 0.034 0.000 1.095 186 A CA -0.317 51.738 52.037 0.030 0.000 0.791 186 A CB 0.072 19.092 19.000 0.033 0.000 1.029 186 A HN 0.760 nan 8.150 nan 0.000 0.489 187 R N 0.550 121.085 120.500 0.058 0.000 2.432 187 R HA 0.176 4.516 4.340 -0.000 0.000 0.260 187 R C -0.351 175.995 176.300 0.077 0.000 0.935 187 R CA -0.096 56.051 56.100 0.078 0.000 1.080 187 R CB 0.063 30.430 30.300 0.111 0.000 1.155 187 R HN 0.783 nan 8.270 nan 0.000 0.531 188 E N 1.127 121.336 120.200 0.015 0.000 2.481 188 E HA -0.057 4.293 4.350 -0.000 0.000 0.263 188 E C -1.600 174.866 176.600 -0.222 0.000 0.992 188 E CA -0.925 55.375 56.400 -0.167 0.000 0.938 188 E CB 0.425 30.074 29.700 -0.084 0.000 0.933 188 E HN -0.073 nan 8.360 nan 0.000 0.453 189 P HA -0.180 nan 4.420 nan 0.000 0.217 189 P C 0.282 177.514 177.300 -0.113 0.000 1.148 189 P CA 1.238 64.204 63.100 -0.222 0.000 0.828 189 P CB 0.277 31.826 31.700 -0.253 0.000 0.783 190 E N -1.164 118.970 120.200 -0.109 0.000 2.204 190 E HA -0.107 4.242 4.350 -0.000 0.000 0.194 190 E C 1.893 178.449 176.600 -0.073 0.000 0.989 190 E CA 0.707 57.065 56.400 -0.070 0.000 0.824 190 E CB -0.744 28.924 29.700 -0.052 0.000 0.756 190 E HN 0.213 nan 8.360 nan 0.000 0.477 191 I N 0.064 120.594 120.570 -0.067 0.000 2.286 191 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 191 I C 2.078 178.166 176.117 -0.049 0.000 1.104 191 I CA 0.824 62.088 61.300 -0.059 0.000 1.397 191 I CB -0.928 37.052 38.000 -0.034 0.000 1.072 191 I HN 0.020 nan 8.210 nan 0.000 0.417 192 V N 1.077 120.970 119.914 -0.035 0.000 2.295 192 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 192 V C 2.294 178.391 176.094 0.005 0.000 1.049 192 V CA 2.189 64.482 62.300 -0.012 0.000 1.024 192 V CB -0.699 31.123 31.823 -0.003 0.000 0.648 192 V HN 0.298 nan 8.190 nan 0.000 0.447 193 D N -0.207 120.201 120.400 0.014 0.000 2.123 193 D HA -0.149 4.490 4.640 -0.000 0.000 0.196 193 D C 2.268 178.540 176.300 -0.047 0.000 0.992 193 D CA 1.818 55.862 54.000 0.073 0.000 0.833 193 D CB -0.158 40.696 40.800 0.090 0.000 0.954 193 D HN 0.404 nan 8.370 nan 0.000 0.455 194 T N -0.396 114.107 114.554 -0.085 0.000 2.821 194 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 194 T C 1.887 176.543 174.700 -0.074 0.000 1.046 194 T CA 1.234 63.268 62.100 -0.110 0.000 1.139 194 T CB -0.337 68.440 68.868 -0.152 0.000 0.871 194 T HN 0.209 nan 8.240 nan 0.000 0.454 195 A N 2.596 125.373 122.820 -0.072 0.000 1.877 195 A HA -0.141 4.178 4.320 -0.000 0.000 0.216 195 A C 2.224 179.755 177.584 -0.089 0.000 1.186 195 A CA 1.473 53.469 52.037 -0.068 0.000 0.620 195 A CB -0.625 18.348 19.000 -0.045 0.000 0.822 195 A HN 0.379 nan 8.150 nan 0.000 0.443 196 N N -0.941 117.717 118.700 -0.070 0.000 2.289 196 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 196 N C 1.321 176.689 175.510 -0.237 0.000 1.016 196 N CA 1.385 54.406 53.050 -0.047 0.000 0.872 196 N CB -0.591 37.979 38.487 0.138 0.000 0.973 196 N HN 0.579 nan 8.380 nan 0.000 0.433 197 F N 1.595 121.115 119.950 -0.716 0.000 2.113 197 F HA 0.011 4.538 4.527 -0.000 0.000 0.297 197 F C 1.949 177.521 175.800 -0.379 0.000 1.103 197 F CA 0.948 58.392 58.000 -0.926 0.000 1.248 197 F CB -0.518 37.940 39.000 -0.904 0.000 0.999 197 F HN -0.101 nan 8.300 nan 0.000 0.475 198 L N -0.257 120.698 121.223 -0.446 0.000 2.042 198 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 198 L C 2.408 179.072 176.870 -0.344 0.000 1.076 198 L CA 1.212 55.789 54.840 -0.438 0.000 0.749 198 L CB -0.941 41.006 42.059 -0.188 0.000 0.893 198 L HN 0.047 nan 8.230 nan 0.000 0.432 199 V N 0.033 119.809 119.914 -0.230 0.000 2.407 199 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 199 V C 2.718 178.718 176.094 -0.157 0.000 1.055 199 V CA 1.695 63.904 62.300 -0.151 0.000 1.049 199 V CB -0.904 30.868 31.823 -0.084 0.000 0.662 199 V HN 0.496 nan 8.190 nan 0.000 0.455 200 A N -0.282 122.421 122.820 -0.195 0.000 2.019 200 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 200 A C 2.073 179.542 177.584 -0.192 0.000 1.164 200 A CA 1.444 53.402 52.037 -0.132 0.000 0.644 200 A CB -0.435 18.538 19.000 -0.045 0.000 0.805 200 A HN 0.550 nan 8.150 nan 0.000 0.449 201 L N -1.826 119.198 121.223 -0.332 0.000 2.554 201 L HA 0.213 4.553 4.340 -0.000 0.000 0.226 201 L C 1.611 178.375 176.870 -0.178 0.000 1.137 201 L CA 0.613 55.282 54.840 -0.285 0.000 0.863 201 L CB -0.069 41.738 42.059 -0.420 0.000 0.985 201 L HN 0.578 nan 8.230 nan 0.000 0.451 202 G N -0.529 108.179 108.800 -0.154 0.000 2.205 202 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.180 202 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.180 202 G C 0.309 175.148 174.900 -0.101 0.000 1.004 202 G CA -0.193 44.844 45.100 -0.106 0.000 0.670 202 G HN 0.389 nan 8.290 nan 0.000 0.496 203 A N 0.098 122.842 122.820 -0.127 0.000 2.332 203 A HA 0.712 5.032 4.320 -0.000 0.000 0.258 203 A C 0.358 177.892 177.584 -0.084 0.000 1.087 203 A CA 0.218 52.191 52.037 -0.106 0.000 0.802 203 A CB 0.436 19.361 19.000 -0.126 0.000 1.042 203 A HN 0.342 nan 8.150 nan 0.000 0.489 204 K N 1.107 121.467 120.400 -0.068 0.000 2.464 204 K HA 0.591 4.911 4.320 -0.000 0.000 0.252 204 K C -1.490 175.079 176.600 -0.052 0.000 1.000 204 K CA 0.298 56.552 56.287 -0.054 0.000 0.951 204 K CB 1.139 33.611 32.500 -0.047 0.000 1.183 204 K HN 0.583 nan 8.250 nan 0.000 0.445 205 I N 1.569 122.110 120.570 -0.049 0.000 2.619 205 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 205 I C -0.416 175.680 176.117 -0.034 0.000 1.100 205 I CA -0.667 60.607 61.300 -0.044 0.000 1.043 205 I CB 2.342 40.312 38.000 -0.049 0.000 1.239 205 I HN 0.574 nan 8.210 nan 0.000 0.420 206 S N 2.246 117.928 115.700 -0.030 0.000 2.588 206 S HA 0.839 5.309 4.470 -0.000 0.000 0.275 206 S C 0.258 174.846 174.600 -0.020 0.000 1.130 206 S CA -0.049 58.137 58.200 -0.023 0.000 0.855 206 S CB 2.017 65.203 63.200 -0.023 0.000 1.116 206 S HN 1.343 nan 8.310 nan 0.000 0.472 207 G N 0.675 109.467 108.800 -0.012 0.000 2.195 207 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 207 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 207 G C 0.131 175.030 174.900 -0.003 0.000 0.984 207 G CA 0.127 45.223 45.100 -0.008 0.000 0.633 207 G HN 1.281 nan 8.290 nan 0.000 0.525 208 Q N 0.418 120.215 119.800 -0.006 0.000 2.263 208 Q HA 0.377 4.717 4.340 -0.000 0.000 0.289 208 Q C 1.160 177.164 176.000 0.007 0.000 1.061 208 Q CA 1.154 56.954 55.803 -0.004 0.000 0.927 208 Q CB 0.817 29.549 28.738 -0.011 0.000 1.154 208 Q HN 1.855 nan 8.270 nan 0.000 0.378 209 G N 2.381 111.190 108.800 0.015 0.000 2.213 209 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.226 209 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.226 209 G C 0.269 175.193 174.900 0.039 0.000 0.992 209 G CA 0.253 45.372 45.100 0.033 0.000 0.632 209 G HN 1.108 nan 8.290 nan 0.000 0.511 210 T N -2.410 112.159 114.554 0.025 0.000 2.870 210 T HA 0.603 4.953 4.350 -0.000 0.000 0.277 210 T C 0.791 175.505 174.700 0.022 0.000 1.000 210 T CA 0.478 62.591 62.100 0.022 0.000 0.982 210 T CB 1.506 70.382 68.868 0.014 0.000 1.249 210 T HN -0.149 nan 8.240 nan 0.000 0.589 211 D N -0.156 120.256 120.400 0.020 0.000 2.269 211 D HA 0.024 4.663 4.640 -0.000 0.000 0.208 211 D C 0.897 177.212 176.300 0.025 0.000 0.963 211 D CA 0.838 54.852 54.000 0.022 0.000 0.864 211 D CB 0.066 40.878 40.800 0.020 0.000 0.936 211 D HN 0.549 nan 8.370 nan 0.000 0.505 212 R N 0.791 121.304 120.500 0.020 0.000 2.476 212 R HA 0.487 4.827 4.340 -0.000 0.000 0.305 212 R C -1.286 175.015 176.300 0.003 0.000 0.965 212 R CA -0.463 55.648 56.100 0.019 0.000 0.867 212 R CB 0.940 31.251 30.300 0.019 0.000 1.176 212 R HN -0.163 nan 8.270 nan 0.000 0.447 213 I N 3.238 123.808 120.570 -0.001 0.000 2.412 213 I HA 0.295 4.465 4.170 -0.000 0.000 0.296 213 I C -0.318 175.782 176.117 -0.029 0.000 0.987 213 I CA -0.820 60.472 61.300 -0.013 0.000 1.180 213 I CB 2.432 40.426 38.000 -0.011 0.000 1.340 213 I HN 0.584 nan 8.210 nan 0.000 0.455 214 T N 6.877 121.409 114.554 -0.037 0.000 2.786 214 T HA 0.615 4.965 4.350 -0.000 0.000 0.283 214 T C -0.381 174.291 174.700 -0.046 0.000 0.992 214 T CA -0.316 61.753 62.100 -0.052 0.000 0.954 214 T CB 0.936 69.769 68.868 -0.058 0.000 0.934 214 T HN 0.162 nan 8.240 nan 0.000 0.440 215 I N 2.431 122.973 120.570 -0.047 0.000 2.474 215 I HA 0.381 4.550 4.170 -0.000 0.000 0.294 215 I C 0.323 176.413 176.117 -0.046 0.000 1.005 215 I CA -0.535 60.738 61.300 -0.045 0.000 1.113 215 I CB 1.838 39.813 38.000 -0.041 0.000 1.289 215 I HN 0.526 nan 8.210 nan 0.000 0.436 216 E N 4.172 124.345 120.200 -0.045 0.000 2.141 216 E HA 0.477 4.827 4.350 -0.000 0.000 0.259 216 E C -0.022 176.552 176.600 -0.044 0.000 0.883 216 E CA -0.589 55.785 56.400 -0.043 0.000 0.744 216 E CB 1.183 30.858 29.700 -0.040 0.000 1.150 216 E HN 0.855 nan 8.360 nan 0.000 0.420 217 G N 2.196 110.970 108.800 -0.042 0.000 2.559 217 G HA2 0.280 4.240 3.960 -0.000 0.000 0.235 217 G HA3 0.280 4.240 3.960 -0.000 0.000 0.235 217 G C 0.115 174.989 174.900 -0.044 0.000 1.266 217 G CA -0.008 45.066 45.100 -0.043 0.000 0.847 217 G HN 0.386 nan 8.290 nan 0.000 0.583 218 V N -0.838 119.046 119.914 -0.049 0.000 3.126 218 V HA 0.572 4.692 4.120 -0.000 0.000 0.314 218 V C 0.855 176.918 176.094 -0.051 0.000 1.138 218 V CA -0.726 61.544 62.300 -0.049 0.000 1.034 218 V CB 1.875 33.666 31.823 -0.053 0.000 1.075 218 V HN 0.771 nan 8.190 nan 0.000 0.442 219 E N 0.863 121.035 120.200 -0.048 0.000 2.072 219 E HA -0.003 4.347 4.350 -0.000 0.000 0.191 219 E C 0.416 176.978 176.600 -0.062 0.000 0.985 219 E CA 1.618 57.987 56.400 -0.051 0.000 0.801 219 E CB 0.160 29.834 29.700 -0.043 0.000 0.750 219 E HN 0.762 nan 8.360 nan 0.000 0.452 220 R N -0.736 119.727 120.500 -0.061 0.000 2.710 220 R HA 0.534 4.874 4.340 -0.000 0.000 0.270 220 R C -1.384 174.874 176.300 -0.070 0.000 1.021 220 R CA -0.731 55.327 56.100 -0.069 0.000 0.889 220 R CB 0.950 31.214 30.300 -0.061 0.000 1.243 220 R HN -0.154 nan 8.270 nan 0.000 0.464 221 L N 1.283 122.460 121.223 -0.076 0.000 2.329 221 L HA 0.621 4.961 4.340 -0.000 0.000 0.279 221 L C 0.611 177.438 176.870 -0.071 0.000 1.014 221 L CA -0.727 54.059 54.840 -0.089 0.000 0.814 221 L CB 2.032 44.022 42.059 -0.114 0.000 1.257 221 L HN 1.001 nan 8.230 nan 0.000 0.424 222 G N 1.280 110.037 108.800 -0.072 0.000 3.086 222 G HA2 0.599 4.559 3.960 -0.000 0.000 0.159 222 G HA3 0.599 4.559 3.960 -0.000 0.000 0.159 222 G C 0.030 174.907 174.900 -0.039 0.000 1.654 222 G CA 0.307 45.380 45.100 -0.044 0.000 1.078 222 G HN 0.731 nan 8.290 nan 0.000 0.558 223 G N -2.939 105.849 108.800 -0.021 0.000 3.211 223 G HA2 0.729 4.689 3.960 -0.000 0.000 0.262 223 G HA3 0.729 4.689 3.960 -0.000 0.000 0.262 223 G C -0.281 174.621 174.900 0.003 0.000 1.352 223 G CA 0.062 45.165 45.100 0.006 0.000 1.004 223 G HN 1.805 nan 8.290 nan 0.000 0.559 224 G N -2.723 106.108 108.800 0.051 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 -1.984 172.984 174.900 0.113 0.000 1.308 224 G CA 0.122 45.260 45.100 0.064 0.000 0.892 224 G HN 1.373 nan 8.290 nan 0.000 0.504 225 V N 0.271 120.258 119.914 0.121 0.000 2.588 225 V HA 0.748 4.868 4.120 -0.000 0.000 0.304 225 V C -1.230 174.981 176.094 0.194 0.000 1.042 225 V CA -0.632 61.740 62.300 0.120 0.000 0.877 225 V CB 1.565 33.424 31.823 0.060 0.000 0.996 225 V HN 0.974 nan 8.190 nan 0.000 0.425 226 Y N 3.759 124.095 120.300 0.060 0.000 2.470 226 Y HA 0.617 5.167 4.550 -0.000 0.000 0.341 226 Y C -0.291 175.597 175.900 -0.021 0.000 1.021 226 Y CA -0.836 57.308 58.100 0.072 0.000 1.025 226 Y CB 1.821 40.434 38.460 0.254 0.000 1.266 226 Y HN 0.646 nan 8.280 nan 0.000 0.448 227 R N 5.279 125.463 120.500 -0.525 0.000 2.295 227 R HA 0.604 4.944 4.340 -0.000 0.000 0.324 227 R C -1.425 174.672 176.300 -0.337 0.000 0.968 227 R CA -0.564 55.336 56.100 -0.333 0.000 0.837 227 R CB 0.905 31.041 30.300 -0.275 0.000 1.133 227 R HN 0.615 nan 8.270 nan 0.000 0.450 228 V N 6.322 126.171 119.914 -0.108 0.000 2.763 228 V HA -0.009 4.111 4.120 -0.000 0.000 0.306 228 V C 1.019 177.081 176.094 -0.053 0.000 1.059 228 V CA -0.092 62.198 62.300 -0.016 0.000 1.138 228 V CB 0.568 32.374 31.823 -0.028 0.000 0.940 228 V HN 0.701 nan 8.190 nan 0.000 0.489 229 L N 5.002 126.217 121.223 -0.012 0.000 2.472 229 L HA 0.527 4.867 4.340 -0.000 0.000 0.260 229 L C -2.371 174.484 176.870 -0.025 0.000 1.209 229 L CA -1.589 53.235 54.840 -0.027 0.000 0.817 229 L CB 0.060 42.115 42.059 -0.006 0.000 1.106 229 L HN 0.356 nan 8.230 nan 0.000 0.479 230 P HA -0.023 nan 4.420 nan 0.000 0.267 230 P C -1.161 176.133 177.300 -0.008 0.000 1.200 230 P CA 0.067 63.161 63.100 -0.010 0.000 0.772 230 P CB 0.326 32.026 31.700 -0.001 0.000 0.855 231 D N 2.822 123.221 120.400 -0.002 0.000 2.344 231 D HA -0.009 4.631 4.640 -0.000 0.000 0.253 231 D C 1.313 177.620 176.300 0.011 0.000 1.255 231 D CA -0.065 53.929 54.000 -0.009 0.000 0.894 231 D CB 0.563 41.350 40.800 -0.022 0.000 1.067 231 D HN 0.353 nan 8.370 nan 0.000 0.492 232 R N 3.813 124.312 120.500 -0.002 0.000 2.148 232 R HA -0.089 4.251 4.340 -0.000 0.000 0.223 232 R C 1.308 177.623 176.300 0.024 0.000 1.088 232 R CA 0.471 56.578 56.100 0.012 0.000 0.985 232 R CB -0.043 30.251 30.300 -0.010 0.000 0.880 232 R HN 0.337 nan 8.270 nan 0.000 0.451 233 I N 1.763 122.334 120.570 0.002 0.000 2.406 233 I HA -0.104 4.066 4.170 -0.000 0.000 0.249 233 I C 2.503 178.655 176.117 0.058 0.000 1.122 233 I CA 1.093 62.399 61.300 0.010 0.000 1.431 233 I CB -1.180 36.803 38.000 -0.029 0.000 1.087 233 I HN 0.340 nan 8.210 nan 0.000 0.424 234 E N 1.045 121.267 120.200 0.036 0.000 2.051 234 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 234 E C 2.039 178.837 176.600 0.331 0.000 0.991 234 E CA 2.080 58.587 56.400 0.179 0.000 0.799 234 E CB 0.167 29.963 29.700 0.159 0.000 0.748 234 E HN 0.380 nan 8.360 nan 0.000 0.449 235 T N -0.133 114.561 114.554 0.233 0.000 2.684 235 T HA -0.162 4.187 4.350 -0.000 0.000 0.267 235 T C 1.738 176.572 174.700 0.224 0.000 1.036 235 T CA 1.371 63.612 62.100 0.235 0.000 1.148 235 T CB -0.704 68.245 68.868 0.135 0.000 0.863 235 T HN 0.414 nan 8.240 nan 0.000 0.436 236 G N 0.925 109.823 108.800 0.163 0.000 2.422 236 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 236 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 236 G C 1.717 176.703 174.900 0.143 0.000 1.146 236 G CA 1.427 46.625 45.100 0.162 0.000 0.769 236 G HN 0.464 nan 8.290 nan 0.000 0.547 237 T N 1.040 115.661 114.554 0.112 0.000 2.684 237 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 237 T C 2.041 176.661 174.700 -0.133 0.000 1.036 237 T CA 1.174 63.259 62.100 -0.025 0.000 1.148 237 T CB -0.369 68.479 68.868 -0.034 0.000 0.863 237 T HN 0.273 nan 8.240 nan 0.000 0.436 238 F N 0.800 120.807 119.950 0.096 0.000 2.293 238 F HA 0.125 4.652 4.527 -0.000 0.000 0.300 238 F C 2.086 177.909 175.800 0.039 0.000 1.086 238 F CA 0.543 58.579 58.000 0.059 0.000 1.375 238 F CB -0.470 38.572 39.000 0.070 0.000 1.045 238 F HN 0.073 nan 8.300 nan 0.000 0.516 239 L N -0.965 120.380 121.223 0.202 0.000 2.093 239 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 239 L C 2.307 179.204 176.870 0.044 0.000 1.085 239 L CA 0.572 55.489 54.840 0.129 0.000 0.755 239 L CB -0.688 41.453 42.059 0.136 0.000 0.904 239 L HN -0.039 nan 8.230 nan 0.000 0.435 240 V N 0.110 120.018 119.914 -0.009 0.000 2.427 240 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 240 V C 2.757 178.794 176.094 -0.095 0.000 1.051 240 V CA 1.646 63.869 62.300 -0.128 0.000 1.048 240 V CB -0.761 30.946 31.823 -0.194 0.000 0.666 240 V HN 0.469 nan 8.190 nan 0.000 0.456 241 A N 0.005 122.790 122.820 -0.057 0.000 1.940 241 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 241 A C 2.384 179.963 177.584 -0.008 0.000 1.176 241 A CA 2.271 54.284 52.037 -0.041 0.000 0.631 241 A CB -0.635 18.357 19.000 -0.014 0.000 0.814 241 A HN 0.573 nan 8.150 nan 0.000 0.446 242 A N -0.474 122.357 122.820 0.019 0.000 1.898 242 A HA 0.326 4.646 4.320 -0.000 0.000 0.214 242 A C 2.488 180.062 177.584 -0.016 0.000 1.183 242 A CA 1.607 53.651 52.037 0.012 0.000 0.622 242 A CB -0.991 18.026 19.000 0.030 0.000 0.824 242 A HN 1.050 nan 8.150 nan 0.000 0.444 243 A N 0.670 123.473 122.820 -0.028 0.000 1.978 243 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 243 A C 2.030 179.581 177.584 -0.056 0.000 1.170 243 A CA 1.621 53.631 52.037 -0.045 0.000 0.636 243 A CB -0.781 18.174 19.000 -0.075 0.000 0.810 243 A HN 1.018 nan 8.150 nan 0.000 0.448 244 I N -2.979 117.550 120.570 -0.069 0.000 3.728 244 I HA 0.115 4.284 4.170 -0.000 0.000 0.307 244 I C 1.313 177.406 176.117 -0.040 0.000 1.276 244 I CA 1.126 62.389 61.300 -0.063 0.000 1.285 244 I CB 0.234 38.185 38.000 -0.082 0.000 1.038 244 I HN 0.233 nan 8.210 nan 0.000 0.445 245 S N -0.042 115.639 115.700 -0.031 0.000 2.602 245 S HA 0.452 4.921 4.470 -0.000 0.000 0.240 245 S C 1.472 176.064 174.600 -0.013 0.000 0.992 245 S CA 0.124 58.312 58.200 -0.020 0.000 0.971 245 S CB 0.182 63.372 63.200 -0.017 0.000 0.855 245 S HN 0.724 nan 8.310 nan 0.000 0.481 246 G N 0.532 109.325 108.800 -0.013 0.000 2.180 246 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.263 246 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.263 246 G C 0.589 175.481 174.900 -0.014 0.000 0.989 246 G CA 0.184 45.280 45.100 -0.006 0.000 0.692 246 G HN 1.097 nan 8.290 nan 0.000 0.526 247 G N -0.883 107.906 108.800 -0.018 0.000 2.510 247 G HA2 0.622 4.582 3.960 -0.000 0.000 0.280 247 G HA3 0.622 4.582 3.960 -0.000 0.000 0.280 247 G C -0.136 174.738 174.900 -0.042 0.000 1.386 247 G CA 0.098 45.184 45.100 -0.022 0.000 1.047 247 G HN 0.716 nan 8.290 nan 0.000 0.527 248 K N -1.310 119.069 120.400 -0.036 0.000 2.464 248 K HA 0.678 4.998 4.320 -0.000 0.000 0.253 248 K C -1.709 174.883 176.600 -0.014 0.000 0.933 248 K CA -0.766 55.494 56.287 -0.046 0.000 0.801 248 K CB 2.253 34.711 32.500 -0.070 0.000 1.271 248 K HN 0.452 nan 8.250 nan 0.000 0.430 249 I N 2.633 123.206 120.570 0.004 0.000 3.004 249 I HA 0.438 4.608 4.170 -0.000 0.000 0.305 249 I C -1.807 174.330 176.117 0.034 0.000 1.312 249 I CA -0.996 60.315 61.300 0.019 0.000 0.992 249 I CB 2.426 40.458 38.000 0.053 0.000 1.282 249 I HN 0.432 nan 8.210 nan 0.000 0.449 250 V N 4.665 124.590 119.914 0.018 0.000 2.531 250 V HA 0.370 4.490 4.120 -0.000 0.000 0.301 250 V C -0.761 175.358 176.094 0.041 0.000 1.034 250 V CA -0.575 61.750 62.300 0.042 0.000 0.865 250 V CB 1.487 33.284 31.823 -0.043 0.000 0.995 250 V HN 0.766 nan 8.190 nan 0.000 0.424 251 C N 6.087 125.452 119.300 0.107 0.000 2.273 251 C HA 0.633 5.093 4.460 -0.000 0.000 0.328 251 C C 0.532 175.592 174.990 0.117 0.000 1.275 251 C CA -1.039 58.024 59.018 0.075 0.000 1.704 251 C CB 0.090 27.892 27.740 0.104 0.000 2.326 251 C HN 0.749 nan 8.230 nan 0.000 0.517 252 R N 2.256 122.788 120.500 0.055 0.000 2.573 252 R HA 0.288 4.628 4.340 -0.000 0.000 0.272 252 R C 0.226 176.560 176.300 0.058 0.000 1.009 252 R CA -0.463 55.682 56.100 0.076 0.000 1.059 252 R CB 0.229 30.541 30.300 0.019 0.000 1.112 252 R HN 0.775 nan 8.270 nan 0.000 0.517 253 N N -1.168 117.572 118.700 0.068 0.000 2.738 253 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 253 N C -1.252 174.280 175.510 0.037 0.000 1.047 253 N CA 1.181 54.254 53.050 0.039 0.000 0.707 253 N CB -0.852 37.642 38.487 0.012 0.000 0.937 253 N HN 0.734 nan 8.380 nan 0.000 0.545 254 A N -0.167 122.686 122.820 0.055 0.000 2.322 254 A HA 0.751 5.070 4.320 -0.000 0.000 0.327 254 A C -0.066 177.523 177.584 0.010 0.000 1.134 254 A CA -0.517 51.544 52.037 0.041 0.000 0.831 254 A CB 1.407 20.447 19.000 0.065 0.000 1.288 254 A HN 0.210 nan 8.150 nan 0.000 0.472 255 Q N 0.847 120.646 119.800 -0.002 0.000 2.558 255 Q HA 0.331 4.671 4.340 -0.000 0.000 0.252 255 Q C -2.255 173.732 176.000 -0.022 0.000 1.015 255 Q CA -1.842 53.948 55.803 -0.020 0.000 0.720 255 Q CB 1.329 30.058 28.738 -0.016 0.000 1.215 255 Q HN 0.433 nan 8.270 nan 0.000 0.500 256 P HA -0.223 nan 4.420 nan 0.000 0.216 256 P C 0.573 177.860 177.300 -0.021 0.000 1.154 256 P CA 1.610 64.679 63.100 -0.051 0.000 0.865 256 P CB 0.197 31.826 31.700 -0.118 0.000 0.789 257 D N -1.396 118.993 120.400 -0.019 0.000 2.378 257 D HA -0.110 4.530 4.640 -0.000 0.000 0.222 257 D C 1.144 177.476 176.300 0.053 0.000 0.980 257 D CA 1.353 55.357 54.000 0.008 0.000 0.907 257 D CB -1.468 39.334 40.800 0.003 0.000 0.899 257 D HN 0.235 nan 8.370 nan 0.000 0.527 258 T N -2.597 111.986 114.554 0.049 0.000 3.107 258 T HA 0.185 4.535 4.350 -0.000 0.000 0.249 258 T C 1.267 176.040 174.700 0.121 0.000 1.096 258 T CA -0.190 61.962 62.100 0.087 0.000 1.012 258 T CB -0.228 68.642 68.868 0.002 0.000 0.977 258 T HN 0.187 nan 8.240 nan 0.000 0.527 259 L N 0.840 122.105 121.223 0.069 0.000 3.288 259 L HA 0.371 4.711 4.340 -0.000 0.000 0.293 259 L C 0.762 177.649 176.870 0.029 0.000 1.294 259 L CA -0.314 54.553 54.840 0.045 0.000 1.006 259 L CB 0.548 42.631 42.059 0.041 0.000 1.407 259 L HN -0.022 nan 8.230 nan 0.000 0.592 260 D N 1.420 121.831 120.400 0.018 0.000 2.104 260 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 260 D C 2.143 178.449 176.300 0.009 0.000 0.994 260 D CA 1.673 55.675 54.000 0.004 0.000 0.830 260 D CB 0.260 41.049 40.800 -0.018 0.000 0.959 260 D HN 0.413 nan 8.370 nan 0.000 0.452 261 A N 0.732 123.545 122.820 -0.012 0.000 1.877 261 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 261 A C 2.606 180.225 177.584 0.059 0.000 1.186 261 A CA 1.432 53.478 52.037 0.016 0.000 0.620 261 A CB -0.833 18.163 19.000 -0.006 0.000 0.822 261 A HN 0.151 nan 8.150 nan 0.000 0.443 262 V N 0.256 120.172 119.914 0.004 0.000 2.295 262 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 262 V C 2.587 178.796 176.094 0.191 0.000 1.049 262 V CA 1.949 64.290 62.300 0.068 0.000 1.024 262 V CB -0.754 31.090 31.823 0.035 0.000 0.648 262 V HN 0.565 nan 8.190 nan 0.000 0.447 263 L N 0.042 121.341 121.223 0.126 0.000 2.046 263 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 263 L C 2.739 179.682 176.870 0.123 0.000 1.077 263 L CA 1.625 56.540 54.840 0.125 0.000 0.747 263 L CB -0.890 41.213 42.059 0.074 0.000 0.896 263 L HN 0.379 nan 8.230 nan 0.000 0.432 264 A N -0.162 122.715 122.820 0.095 0.000 1.933 264 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 264 A C 2.279 179.929 177.584 0.110 0.000 1.175 264 A CA 1.660 53.746 52.037 0.081 0.000 0.628 264 A CB -0.306 18.726 19.000 0.053 0.000 0.814 264 A HN 0.158 nan 8.150 nan 0.000 0.444 265 K N -0.224 120.265 120.400 0.148 0.000 2.103 265 K HA 0.131 4.451 4.320 -0.000 0.000 0.204 265 K C 1.723 178.505 176.600 0.302 0.000 1.052 265 K CA 0.865 57.267 56.287 0.192 0.000 0.945 265 K CB -0.461 32.115 32.500 0.126 0.000 0.722 265 K HN 0.510 nan 8.250 nan 0.000 0.443 266 L N -0.008 121.415 121.223 0.333 0.000 2.093 266 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 266 L C 2.278 179.239 176.870 0.153 0.000 1.085 266 L CA 1.125 56.119 54.840 0.257 0.000 0.755 266 L CB -0.228 41.967 42.059 0.227 0.000 0.904 266 L HN 0.135 nan 8.230 nan 0.000 0.435 267 R N 0.085 120.663 120.500 0.131 0.000 2.075 267 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 267 R C 2.061 178.414 176.300 0.087 0.000 1.126 267 R CA 1.266 57.424 56.100 0.096 0.000 0.963 267 R CB -0.242 30.106 30.300 0.080 0.000 0.858 267 R HN 0.439 nan 8.270 nan 0.000 0.435 268 E N 0.360 120.616 120.200 0.093 0.000 2.265 268 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 268 E C 1.571 178.217 176.600 0.077 0.000 0.996 268 E CA 0.933 57.379 56.400 0.076 0.000 0.832 268 E CB 0.042 29.785 29.700 0.071 0.000 0.756 268 E HN 0.329 nan 8.360 nan 0.000 0.491 269 A N -0.012 122.866 122.820 0.097 0.000 2.238 269 A HA 0.240 4.560 4.320 -0.000 0.000 0.208 269 A C 1.661 179.280 177.584 0.058 0.000 1.177 269 A CA 0.838 52.920 52.037 0.076 0.000 0.804 269 A CB -0.102 18.946 19.000 0.081 0.000 0.823 269 A HN 0.329 nan 8.150 nan 0.000 0.482 270 G N -2.321 106.518 108.800 0.066 0.000 2.163 270 G HA2 0.151 4.111 3.960 -0.000 0.000 0.213 270 G HA3 0.151 4.111 3.960 -0.000 0.000 0.213 270 G C 0.357 175.303 174.900 0.077 0.000 0.991 270 G CA 0.105 45.245 45.100 0.066 0.000 0.653 270 G HN 1.490 nan 8.290 nan 0.000 0.518 271 A N 0.105 122.969 122.820 0.073 0.000 2.388 271 A HA 0.566 4.886 4.320 -0.000 0.000 0.257 271 A C 0.125 177.760 177.584 0.085 0.000 1.095 271 A CA 0.586 52.664 52.037 0.068 0.000 0.791 271 A CB 0.583 19.620 19.000 0.061 0.000 1.029 271 A HN 0.545 nan 8.150 nan 0.000 0.489 272 D N 1.973 122.422 120.400 0.083 0.000 2.428 272 D HA 0.473 5.113 4.640 -0.000 0.000 0.221 272 D C -0.573 175.778 176.300 0.085 0.000 1.123 272 D CA 0.050 54.118 54.000 0.113 0.000 0.869 272 D CB 0.001 40.921 40.800 0.201 0.000 1.032 272 D HN 0.353 nan 8.370 nan 0.000 0.506 273 I N 2.879 123.503 120.570 0.090 0.000 2.493 273 I HA 0.393 4.563 4.170 -0.000 0.000 0.298 273 I C 0.165 176.340 176.117 0.095 0.000 0.998 273 I CA -0.823 60.532 61.300 0.091 0.000 1.137 273 I CB 1.718 39.766 38.000 0.079 0.000 1.310 273 I HN 0.192 nan 8.210 nan 0.000 0.445 274 E N 3.462 123.738 120.200 0.126 0.000 2.340 274 E HA 0.527 4.877 4.350 -0.000 0.000 0.273 274 E C -1.014 175.578 176.600 -0.013 0.000 0.891 274 E CA -0.576 55.896 56.400 0.121 0.000 0.757 274 E CB 2.635 32.504 29.700 0.280 0.000 1.231 274 E HN 0.703 nan 8.360 nan 0.000 0.439 275 T N -1.576 112.797 114.554 -0.302 0.000 2.906 275 T HA 0.848 5.198 4.350 -0.000 0.000 0.295 275 T C 0.194 174.162 174.700 -1.220 0.000 1.075 275 T CA -0.684 60.991 62.100 -0.708 0.000 1.005 275 T CB 2.166 70.814 68.868 -0.366 0.000 1.136 275 T HN 0.427 nan 8.240 nan 0.000 0.498 276 G N 0.058 107.772 108.800 -1.810 0.000 3.211 276 G HA2 0.504 4.464 3.960 -0.000 0.000 0.262 276 G HA3 0.504 4.464 3.960 -0.000 0.000 0.262 276 G C 0.274 174.745 174.900 -0.716 0.000 1.352 276 G CA -0.435 43.798 45.100 -1.445 0.000 1.004 276 G HN 0.712 nan 8.290 nan 0.000 0.559 277 E N -0.274 119.711 120.200 -0.358 0.000 2.072 277 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 277 E C 0.988 177.507 176.600 -0.136 0.000 0.985 277 E CA 2.051 58.352 56.400 -0.166 0.000 0.801 277 E CB 0.098 29.772 29.700 -0.043 0.000 0.750 277 E HN 0.461 nan 8.360 nan 0.000 0.452 278 D N -0.929 119.423 120.400 -0.080 0.000 2.740 278 D HA 0.088 4.728 4.640 -0.000 0.000 0.301 278 D C -0.330 176.057 176.300 0.145 0.000 1.408 278 D CA -0.580 53.436 54.000 0.026 0.000 0.808 278 D CB -0.832 40.017 40.800 0.081 0.000 1.128 278 D HN 0.320 nan 8.370 nan 0.000 0.465 279 W N -0.188 121.114 121.300 0.003 0.000 3.137 279 W HA 0.664 5.324 4.660 -0.000 0.000 0.324 279 W C -2.108 174.419 176.519 0.013 0.000 1.253 279 W CA -1.289 56.058 57.345 0.003 0.000 1.183 279 W CB 0.496 29.955 29.460 -0.002 0.000 1.424 279 W HN -0.298 nan 8.180 nan 0.000 0.566 280 I N 2.978 123.785 120.570 0.395 0.000 2.607 280 I HA 0.302 4.472 4.170 -0.000 0.000 0.290 280 I C -0.266 176.087 176.117 0.392 0.000 1.129 280 I CA -0.730 60.726 61.300 0.259 0.000 1.042 280 I CB 2.560 40.627 38.000 0.111 0.000 1.242 280 I HN 0.455 nan 8.210 nan 0.000 0.421 281 S N 6.885 122.831 115.700 0.410 0.000 2.513 281 S HA 0.847 5.317 4.470 -0.000 0.000 0.299 281 S C -1.015 173.684 174.600 0.164 0.000 1.087 281 S CA -0.735 57.627 58.200 0.271 0.000 1.012 281 S CB 2.364 65.731 63.200 0.279 0.000 1.044 281 S HN 0.644 nan 8.310 nan 0.000 0.485 282 L N 2.184 123.464 121.223 0.094 0.000 2.410 282 L HA 0.688 5.027 4.340 -0.000 0.000 0.270 282 L C -1.930 174.930 176.870 -0.017 0.000 0.983 282 L CA -0.292 54.579 54.840 0.052 0.000 0.822 282 L CB 1.916 44.012 42.059 0.062 0.000 1.285 282 L HN 0.825 nan 8.230 nan 0.000 0.409 283 D N 4.787 125.136 120.400 -0.084 0.000 2.696 283 D HA 0.297 4.937 4.640 -0.000 0.000 0.251 283 D C 0.202 176.332 176.300 -0.283 0.000 1.188 283 D CA -0.419 53.431 54.000 -0.250 0.000 0.876 283 D CB 1.925 42.452 40.800 -0.455 0.000 1.334 283 D HN 0.484 nan 8.370 nan 0.000 0.540 284 M N 1.562 121.047 119.600 -0.192 0.000 2.509 284 M HA 0.030 4.510 4.480 -0.000 0.000 0.250 284 M C 0.156 176.457 176.300 0.002 0.000 1.132 284 M CA 0.242 55.502 55.300 -0.067 0.000 1.080 284 M CB -0.646 31.940 32.600 -0.023 0.000 1.408 284 M HN 0.491 nan 8.290 nan 0.000 0.484 285 H N 0.186 119.267 119.070 0.020 0.000 2.713 285 H HA -0.161 4.395 4.556 -0.000 0.000 0.311 285 H C 1.342 176.677 175.328 0.012 0.000 1.175 285 H CA 0.922 56.980 56.048 0.016 0.000 1.143 285 H CB -2.168 27.605 29.762 0.018 0.000 1.434 285 H HN 0.647 nan 8.280 nan 0.000 0.418 286 G N -0.576 108.264 108.800 0.067 0.000 2.186 286 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.266 286 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.266 286 G C 0.483 175.410 174.900 0.045 0.000 0.982 286 G CA 0.949 46.077 45.100 0.047 0.000 0.670 286 G HN 0.401 nan 8.290 nan 0.000 0.533 287 K N 0.168 120.603 120.400 0.059 0.000 2.154 287 K HA 0.376 4.696 4.320 -0.000 0.000 0.264 287 K C 0.769 177.386 176.600 0.028 0.000 1.008 287 K CA -0.771 55.545 56.287 0.048 0.000 0.937 287 K CB 1.032 33.571 32.500 0.065 0.000 1.002 287 K HN 0.431 nan 8.250 nan 0.000 0.469 288 R N 2.855 123.368 120.500 0.022 0.000 2.490 288 R HA 0.164 4.504 4.340 -0.000 0.000 0.280 288 R C -2.016 174.292 176.300 0.013 0.000 1.077 288 R CA -1.204 54.903 56.100 0.012 0.000 1.065 288 R CB 0.431 30.737 30.300 0.011 0.000 1.003 288 R HN 0.362 nan 8.270 nan 0.000 0.470 289 P HA 0.087 nan 4.420 nan 0.000 0.274 289 P C -1.244 176.064 177.300 0.013 0.000 1.231 289 P CA -0.136 62.966 63.100 0.004 0.000 0.790 289 P CB 0.805 32.493 31.700 -0.020 0.000 0.951 290 K N 1.005 121.419 120.400 0.023 0.000 2.156 290 K HA 0.492 4.812 4.320 -0.000 0.000 0.271 290 K C 0.207 176.824 176.600 0.029 0.000 0.995 290 K CA -0.634 55.669 56.287 0.027 0.000 0.890 290 K CB 1.554 34.073 32.500 0.033 0.000 1.073 290 K HN 0.554 nan 8.250 nan 0.000 0.454 291 A N 2.216 125.050 122.820 0.022 0.000 2.498 291 A HA 0.306 4.625 4.320 -0.000 0.000 0.239 291 A C 0.317 177.917 177.584 0.027 0.000 1.068 291 A CA -0.269 51.780 52.037 0.019 0.000 0.766 291 A CB -0.024 18.979 19.000 0.005 0.000 1.003 291 A HN 0.521 nan 8.150 nan 0.000 0.497 292 V N -0.469 119.466 119.914 0.035 0.000 3.141 292 V HA 0.879 4.999 4.120 -0.000 0.000 0.312 292 V C -0.097 175.989 176.094 -0.014 0.000 1.157 292 V CA -0.645 61.672 62.300 0.029 0.000 1.041 292 V CB 1.671 33.543 31.823 0.081 0.000 1.071 292 V HN 0.778 nan 8.190 nan 0.000 0.441 293 T N 1.462 115.989 114.554 -0.046 0.000 2.797 293 T HA 0.759 5.109 4.350 -0.000 0.000 0.279 293 T C -0.656 173.947 174.700 -0.162 0.000 0.991 293 T CA -0.319 61.730 62.100 -0.084 0.000 0.979 293 T CB 1.456 70.289 68.868 -0.059 0.000 0.943 293 T HN 0.754 nan 8.240 nan 0.000 0.444 294 V N 3.224 123.002 119.914 -0.226 0.000 2.876 294 V HA 0.669 4.789 4.120 -0.000 0.000 0.312 294 V C -0.367 175.572 176.094 -0.258 0.000 1.085 294 V CA -1.008 61.044 62.300 -0.414 0.000 0.945 294 V CB 2.341 33.655 31.823 -0.849 0.000 1.017 294 V HN 0.755 nan 8.190 nan 0.000 0.428 295 R N 1.940 122.314 120.500 -0.209 0.000 2.502 295 R HA 0.523 4.862 4.340 -0.000 0.000 0.298 295 R C -0.272 176.047 176.300 0.031 0.000 1.018 295 R CA -0.286 55.778 56.100 -0.059 0.000 0.899 295 R CB 1.716 31.997 30.300 -0.031 0.000 1.181 295 R HN 0.947 nan 8.270 nan 0.000 0.444 296 T N 1.087 115.702 114.554 0.101 0.000 2.899 296 T HA 0.760 5.110 4.350 -0.000 0.000 0.295 296 T C 0.114 174.865 174.700 0.084 0.000 1.033 296 T CA -0.096 62.120 62.100 0.193 0.000 1.084 296 T CB 1.655 70.645 68.868 0.204 0.000 0.979 296 T HN 0.702 nan 8.240 nan 0.000 0.532 297 A N 2.651 125.512 122.820 0.069 0.000 2.515 297 A HA 0.713 5.033 4.320 -0.000 0.000 0.292 297 A C -3.181 174.411 177.584 0.014 0.000 1.065 297 A CA -1.625 50.422 52.037 0.016 0.000 0.641 297 A CB 0.066 19.073 19.000 0.011 0.000 1.306 297 A HN 0.658 nan 8.150 nan 0.000 0.441 298 P HA 0.264 nan 4.420 nan 0.000 0.267 298 P C -0.280 177.049 177.300 0.048 0.000 1.200 298 P CA 0.415 63.529 63.100 0.024 0.000 0.772 298 P CB 0.131 31.839 31.700 0.013 0.000 0.855 299 H N 4.722 123.781 119.070 -0.017 0.000 3.073 299 H HA -0.028 4.527 4.556 -0.000 0.000 0.340 299 H C -1.171 174.149 175.328 -0.012 0.000 1.054 299 H CA -0.407 55.629 56.048 -0.019 0.000 1.372 299 H CB 0.264 30.015 29.762 -0.018 0.000 1.314 299 H HN 0.338 nan 8.280 nan 0.000 0.603 300 P HA 0.117 nan 4.420 nan 0.000 0.255 300 P C -0.367 176.706 177.300 -0.379 0.000 1.301 300 P CA 0.265 62.780 63.100 -0.974 0.000 0.817 300 P CB -0.087 31.178 31.700 -0.724 0.000 1.259 301 A N 0.457 123.175 122.820 -0.169 0.000 2.292 301 A HA 0.237 4.556 4.320 -0.000 0.000 0.265 301 A C -0.166 177.414 177.584 -0.007 0.000 1.133 301 A CA -0.528 51.479 52.037 -0.050 0.000 0.807 301 A CB -0.589 18.409 19.000 -0.003 0.000 1.102 301 A HN 0.168 nan 8.150 nan 0.000 0.502 302 F N 1.659 121.557 119.950 -0.086 0.000 2.602 302 F HA 0.280 4.807 4.527 -0.000 0.000 0.385 302 F C -1.671 174.100 175.800 -0.049 0.000 1.063 302 F CA -1.350 56.589 58.000 -0.102 0.000 1.233 302 F CB 0.588 39.494 39.000 -0.157 0.000 1.067 302 F HN 0.255 nan 8.300 nan 0.000 0.564 303 P HA 0.021 nan 4.420 nan 0.000 0.285 303 P C 0.230 177.458 177.300 -0.121 0.000 1.259 303 P CA -0.210 62.747 63.100 -0.238 0.000 0.794 303 P CB 1.611 33.177 31.700 -0.223 0.000 0.940 304 T N 1.066 115.663 114.554 0.072 0.000 2.929 304 T HA -0.125 4.225 4.350 -0.000 0.000 0.271 304 T C 0.926 175.721 174.700 0.158 0.000 1.085 304 T CA 1.550 63.756 62.100 0.178 0.000 1.125 304 T CB -0.686 68.308 68.868 0.210 0.000 0.874 304 T HN 0.295 nan 8.240 nan 0.000 0.494 305 D N 0.357 120.806 120.400 0.082 0.000 2.378 305 D HA 0.063 4.703 4.640 -0.000 0.000 0.227 305 D C 1.267 177.601 176.300 0.056 0.000 1.012 305 D CA 0.496 54.535 54.000 0.064 0.000 0.905 305 D CB 0.115 40.938 40.800 0.039 0.000 0.895 305 D HN 0.412 nan 8.370 nan 0.000 0.532 306 M N -0.200 119.421 119.600 0.034 0.000 2.306 306 M HA 0.066 4.546 4.480 -0.000 0.000 0.292 306 M C 1.598 178.152 176.300 0.425 0.000 1.018 306 M CA 0.066 55.445 55.300 0.131 0.000 1.007 306 M CB 0.543 33.070 32.600 -0.121 0.000 1.510 306 M HN -0.035 nan 8.290 nan 0.000 0.537 307 Q N 1.081 121.124 119.800 0.405 0.000 2.050 307 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 307 Q C 1.754 177.923 176.000 0.282 0.000 0.980 307 Q CA 2.128 58.205 55.803 0.457 0.000 0.840 307 Q CB 0.115 29.084 28.738 0.384 0.000 0.898 307 Q HN 0.461 nan 8.270 nan 0.000 0.424 308 A N 0.538 123.373 122.820 0.025 0.000 1.933 308 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 308 A C 1.986 179.504 177.584 -0.110 0.000 1.175 308 A CA 1.721 53.496 52.037 -0.437 0.000 0.628 308 A CB -0.467 18.086 19.000 -0.745 0.000 0.814 308 A HN 0.470 nan 8.150 nan 0.000 0.444 309 Q N -1.318 118.512 119.800 0.049 0.000 2.119 309 Q HA -0.048 4.292 4.340 -0.000 0.000 0.201 309 Q C 1.582 177.630 176.000 0.080 0.000 0.972 309 Q CA 1.566 57.404 55.803 0.058 0.000 0.847 309 Q CB -0.408 28.384 28.738 0.090 0.000 0.903 309 Q HN 0.694 nan 8.270 nan 0.000 0.433 310 F N -0.120 119.904 119.950 0.124 0.000 2.456 310 F HA -0.060 4.466 4.527 -0.000 0.000 0.298 310 F C 2.101 177.933 175.800 0.053 0.000 1.104 310 F CA 0.987 59.051 58.000 0.107 0.000 1.435 310 F CB -0.216 38.870 39.000 0.144 0.000 1.078 310 F HN 0.005 nan 8.300 nan 0.000 0.546 311 T N 0.615 115.309 114.554 0.234 0.000 2.746 311 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 311 T C 2.026 176.783 174.700 0.094 0.000 1.039 311 T CA 1.398 63.603 62.100 0.175 0.000 1.142 311 T CB -0.527 68.547 68.868 0.343 0.000 0.866 311 T HN 0.145 nan 8.240 nan 0.000 0.444 312 L N 1.322 122.590 121.223 0.075 0.000 2.017 312 L HA 0.063 4.403 4.340 -0.000 0.000 0.208 312 L C 2.209 179.061 176.870 -0.031 0.000 1.073 312 L CA 1.526 56.375 54.840 0.015 0.000 0.745 312 L CB -0.977 41.074 42.059 -0.012 0.000 0.894 312 L HN 0.273 nan 8.230 nan 0.000 0.432 313 L N -0.374 120.805 121.223 -0.075 0.000 2.042 313 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 313 L C 2.215 179.054 176.870 -0.053 0.000 1.076 313 L CA 1.781 56.550 54.840 -0.118 0.000 0.749 313 L CB -0.525 41.364 42.059 -0.283 0.000 0.893 313 L HN 0.410 nan 8.230 nan 0.000 0.432 314 N N -0.085 118.608 118.700 -0.013 0.000 2.244 314 N HA -0.126 4.614 4.740 -0.000 0.000 0.183 314 N C 1.843 177.343 175.510 -0.018 0.000 1.016 314 N CA 1.247 54.293 53.050 -0.006 0.000 0.866 314 N CB -0.290 38.196 38.487 -0.001 0.000 0.980 314 N HN 0.389 nan 8.380 nan 0.000 0.430 315 L N 0.631 121.842 121.223 -0.020 0.000 2.353 315 L HA -0.059 4.281 4.340 -0.000 0.000 0.220 315 L C 1.594 178.447 176.870 -0.028 0.000 1.133 315 L CA 0.679 55.503 54.840 -0.026 0.000 0.798 315 L CB -0.116 41.925 42.059 -0.031 0.000 0.922 315 L HN 0.087 nan 8.230 nan 0.000 0.445 316 V N -4.797 115.101 119.914 -0.027 0.000 3.380 316 V HA 0.484 4.604 4.120 -0.000 0.000 0.307 316 V C 0.857 176.943 176.094 -0.014 0.000 1.434 316 V CA -0.196 62.089 62.300 -0.025 0.000 1.075 316 V CB -0.276 31.528 31.823 -0.033 0.000 0.954 316 V HN 0.110 nan 8.190 nan 0.000 0.444 317 A N 0.394 123.209 122.820 -0.009 0.000 2.271 317 A HA 0.616 4.936 4.320 -0.000 0.000 0.288 317 A C 0.101 177.694 177.584 0.013 0.000 1.094 317 A CA -0.520 51.517 52.037 -0.000 0.000 0.828 317 A CB 0.322 19.322 19.000 -0.000 0.000 1.091 317 A HN 0.548 nan 8.150 nan 0.000 0.493 318 E N -0.047 120.164 120.200 0.017 0.000 2.223 318 E HA 0.462 4.812 4.350 -0.000 0.000 0.282 318 E C 0.482 177.098 176.600 0.027 0.000 1.046 318 E CA 0.862 57.277 56.400 0.025 0.000 0.857 318 E CB 0.741 30.454 29.700 0.023 0.000 1.055 318 E HN 1.216 nan 8.360 nan 0.000 0.409 319 G N 2.388 111.210 108.800 0.037 0.000 2.422 319 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.607 319 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.607 319 G C -0.645 174.276 174.900 0.035 0.000 1.270 319 G CA -0.978 44.144 45.100 0.037 0.000 0.992 319 G HN 0.397 nan 8.290 nan 0.000 0.499 320 T N 1.081 115.647 114.554 0.020 0.000 2.743 320 T HA 0.648 4.998 4.350 -0.000 0.000 0.292 320 T C 0.641 175.306 174.700 -0.058 0.000 0.972 320 T CA 0.494 62.577 62.100 -0.029 0.000 0.967 320 T CB 1.285 70.154 68.868 0.003 0.000 0.926 320 T HN 1.438 nan 8.240 nan 0.000 0.459 321 G N 1.614 110.357 108.800 -0.095 0.000 2.400 321 G HA2 0.619 4.579 3.960 -0.000 0.000 0.333 321 G HA3 0.619 4.579 3.960 -0.000 0.000 0.333 321 G C -1.066 173.770 174.900 -0.107 0.000 1.143 321 G CA -0.547 44.509 45.100 -0.074 0.000 0.914 321 G HN 0.638 nan 8.290 nan 0.000 0.480 322 V N 3.185 123.049 119.914 -0.084 0.000 2.487 322 V HA 0.410 4.530 4.120 -0.000 0.000 0.298 322 V C -0.568 175.481 176.094 -0.076 0.000 1.028 322 V CA -0.779 61.469 62.300 -0.086 0.000 0.860 322 V CB 1.586 33.370 31.823 -0.065 0.000 0.991 322 V HN 0.566 nan 8.190 nan 0.000 0.427 323 I N 3.640 124.170 120.570 -0.066 0.000 2.382 323 I HA 0.423 4.593 4.170 -0.000 0.000 0.286 323 I C 0.077 176.245 176.117 0.084 0.000 1.002 323 I CA -0.031 61.258 61.300 -0.019 0.000 1.135 323 I CB 1.723 39.736 38.000 0.022 0.000 1.288 323 I HN 0.518 nan 8.210 nan 0.000 0.448 324 T N 4.961 119.560 114.554 0.075 0.000 2.770 324 T HA 0.289 4.639 4.350 -0.000 0.000 0.283 324 T C -0.097 174.687 174.700 0.139 0.000 0.988 324 T CA -0.465 61.714 62.100 0.131 0.000 0.957 324 T CB 1.669 70.570 68.868 0.055 0.000 0.930 324 T HN 0.431 nan 8.240 nan 0.000 0.443 325 E N 2.059 122.362 120.200 0.172 0.000 2.109 325 E HA 0.369 4.719 4.350 -0.000 0.000 0.278 325 E C 0.868 177.460 176.600 -0.013 0.000 0.954 325 E CA -0.600 55.834 56.400 0.056 0.000 0.779 325 E CB 0.748 30.380 29.700 -0.114 0.000 1.093 325 E HN 0.640 nan 8.360 nan 0.000 0.401 326 T N 2.197 116.742 114.554 -0.015 0.000 3.044 326 T HA 0.183 4.533 4.350 -0.000 0.000 0.260 326 T C 1.131 175.765 174.700 -0.110 0.000 1.019 326 T CA -0.124 61.947 62.100 -0.049 0.000 0.921 326 T CB -0.019 68.830 68.868 -0.032 0.000 1.053 326 T HN 0.385 nan 8.240 nan 0.000 0.533 327 I N -0.020 120.456 120.570 -0.157 0.000 2.512 327 I HA 0.388 4.558 4.170 -0.000 0.000 0.247 327 I C 0.280 176.071 176.117 -0.543 0.000 1.094 327 I CA 0.099 61.170 61.300 -0.381 0.000 1.427 327 I CB -0.675 37.044 38.000 -0.468 0.000 1.149 327 I HN 0.213 nan 8.210 nan 0.000 0.438 328 F N 2.138 122.048 119.950 -0.066 0.000 2.469 328 F HA 0.225 4.752 4.527 -0.000 0.000 0.332 328 F C 1.617 177.336 175.800 -0.136 0.000 1.103 328 F CA -0.745 57.204 58.000 -0.084 0.000 0.979 328 F CB 1.319 40.274 39.000 -0.075 0.000 1.137 328 F HN 0.028 nan 8.300 nan 0.000 0.463 329 E N 1.196 121.444 120.200 0.081 0.000 2.358 329 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 329 E C -0.148 176.416 176.600 -0.061 0.000 1.010 329 E CA 0.948 57.336 56.400 -0.019 0.000 0.856 329 E CB -0.069 29.630 29.700 -0.001 0.000 0.795 329 E HN 0.706 nan 8.360 nan 0.000 0.504 330 N N 0.446 119.126 118.700 -0.035 0.000 2.644 330 N HA 0.118 4.858 4.740 -0.000 0.000 0.313 330 N C -0.488 174.976 175.510 -0.077 0.000 1.863 330 N CA -0.181 52.833 53.050 -0.060 0.000 0.918 330 N CB 0.387 38.858 38.487 -0.026 0.000 1.320 330 N HN -0.047 nan 8.380 nan 0.000 0.490 331 R N 0.938 121.334 120.500 -0.173 0.000 2.997 331 R HA 0.235 4.575 4.340 -0.000 0.000 0.358 331 R C -0.543 175.809 176.300 0.086 0.000 1.191 331 R CA -0.154 55.907 56.100 -0.065 0.000 1.113 331 R CB -0.051 30.242 30.300 -0.012 0.000 1.433 331 R HN 0.300 nan 8.270 nan 0.000 0.584 332 F N -0.371 119.631 119.950 0.086 0.000 2.772 332 F HA 0.151 4.678 4.527 -0.000 0.000 0.316 332 F C 1.393 177.070 175.800 -0.204 0.000 1.114 332 F CA -0.462 57.488 58.000 -0.084 0.000 1.191 332 F CB 0.673 39.618 39.000 -0.092 0.000 1.065 332 F HN 0.087 nan 8.300 nan 0.000 0.534 333 M N 0.297 119.986 119.600 0.148 0.000 2.346 333 M HA -0.218 4.262 4.480 -0.000 0.000 0.263 333 M C 2.375 178.698 176.300 0.039 0.000 1.064 333 M CA 1.464 56.803 55.300 0.066 0.000 1.083 333 M CB -0.637 31.993 32.600 0.050 0.000 1.399 333 M HN 0.319 nan 8.290 nan 0.000 0.435 334 H N -1.113 117.988 119.070 0.051 0.000 2.495 334 H HA 0.048 4.604 4.556 -0.000 0.000 0.287 334 H C 2.001 177.339 175.328 0.015 0.000 1.033 334 H CA 1.026 57.086 56.048 0.020 0.000 1.307 334 H CB -1.151 28.627 29.762 0.027 0.000 1.401 334 H HN 0.243 nan 8.280 nan 0.000 0.555 335 V N 2.422 122.055 119.914 -0.469 0.000 2.255 335 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 335 V C -0.256 175.761 176.094 -0.128 0.000 1.051 335 V CA 2.216 64.331 62.300 -0.309 0.000 1.018 335 V CB -1.417 30.183 31.823 -0.371 0.000 0.641 335 V HN 0.408 nan 8.190 nan 0.000 0.445 336 P HA -0.119 nan 4.420 nan 0.000 0.216 336 P C 1.568 178.853 177.300 -0.024 0.000 1.150 336 P CA 1.181 64.257 63.100 -0.041 0.000 0.837 336 P CB -0.018 31.668 31.700 -0.023 0.000 0.786 337 E N -0.486 119.704 120.200 -0.016 0.000 2.072 337 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 337 E C 2.132 178.729 176.600 -0.004 0.000 0.982 337 E CA 0.912 57.311 56.400 -0.002 0.000 0.803 337 E CB -0.904 28.803 29.700 0.013 0.000 0.755 337 E HN 0.319 nan 8.360 nan 0.000 0.453 338 L N 0.584 121.804 121.223 -0.005 0.000 2.141 338 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 338 L C 2.506 179.355 176.870 -0.034 0.000 1.094 338 L CA 0.628 55.461 54.840 -0.012 0.000 0.763 338 L CB -0.325 41.734 42.059 0.001 0.000 0.908 338 L HN 0.077 nan 8.230 nan 0.000 0.437 339 I N -0.418 120.132 120.570 -0.034 0.000 2.286 339 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 339 I C 2.632 178.736 176.117 -0.022 0.000 1.115 339 I CA 1.202 62.485 61.300 -0.029 0.000 1.392 339 I CB -0.290 37.703 38.000 -0.013 0.000 1.065 339 I HN 0.231 nan 8.210 nan 0.000 0.418 340 R N 0.292 120.783 120.500 -0.015 0.000 2.152 340 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 340 R C 1.876 178.166 176.300 -0.016 0.000 1.117 340 R CA 1.139 57.233 56.100 -0.009 0.000 0.981 340 R CB -0.135 30.163 30.300 -0.004 0.000 0.870 340 R HN 0.369 nan 8.270 nan 0.000 0.451 341 M N -0.762 118.822 119.600 -0.026 0.000 2.568 341 M HA 0.152 4.632 4.480 -0.000 0.000 0.226 341 M C 0.687 176.953 176.300 -0.058 0.000 1.148 341 M CA 0.498 55.778 55.300 -0.033 0.000 1.007 341 M CB 1.154 33.737 32.600 -0.028 0.000 1.651 341 M HN 0.413 nan 8.290 nan 0.000 0.488 342 G N 0.398 109.153 108.800 -0.075 0.000 2.176 342 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.232 342 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.232 342 G C 0.177 174.889 174.900 -0.314 0.000 0.986 342 G CA -0.081 44.936 45.100 -0.138 0.000 0.643 342 G HN 0.657 nan 8.290 nan 0.000 0.522 343 A N 0.435 123.118 122.820 -0.227 0.000 2.366 343 A HA 0.634 4.954 4.320 -0.000 0.000 0.249 343 A C 0.075 177.496 177.584 -0.272 0.000 1.084 343 A CA -0.040 51.841 52.037 -0.260 0.000 0.794 343 A CB 0.245 19.178 19.000 -0.112 0.000 1.034 343 A HN 0.503 nan 8.150 nan 0.000 0.491 344 H N 0.109 119.196 119.070 0.030 0.000 2.638 344 H HA 0.685 5.241 4.556 -0.000 0.000 0.317 344 H C -0.127 175.253 175.328 0.086 0.000 1.006 344 H CA 0.209 56.297 56.048 0.065 0.000 1.222 344 H CB 1.184 31.005 29.762 0.098 0.000 1.419 344 H HN 0.919 nan 8.280 nan 0.000 0.489 345 A N 2.811 125.732 122.820 0.168 0.000 2.606 345 A HA 0.634 4.954 4.320 -0.000 0.000 0.293 345 A C -1.136 176.464 177.584 0.027 0.000 1.082 345 A CA -0.829 51.238 52.037 0.050 0.000 0.685 345 A CB 1.870 20.827 19.000 -0.071 0.000 1.284 345 A HN 0.530 nan 8.150 nan 0.000 0.408 346 E N 0.303 120.491 120.200 -0.020 0.000 2.248 346 E HA 0.625 4.975 4.350 -0.000 0.000 0.267 346 E C -1.232 175.315 176.600 -0.089 0.000 0.877 346 E CA -0.209 56.178 56.400 -0.021 0.000 0.759 346 E CB 2.168 31.886 29.700 0.031 0.000 1.182 346 E HN 0.523 nan 8.360 nan 0.000 0.418 347 I N 2.246 122.771 120.570 -0.076 0.000 2.321 347 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 347 I C -0.330 175.787 176.117 0.000 0.000 0.998 347 I CA -0.606 60.646 61.300 -0.080 0.000 1.227 347 I CB 1.250 39.226 38.000 -0.040 0.000 1.368 347 I HN 0.336 nan 8.210 nan 0.000 0.466 348 E N 5.210 125.422 120.200 0.019 0.000 2.207 348 E HA 0.378 4.728 4.350 -0.000 0.000 0.250 348 E C 0.092 176.739 176.600 0.079 0.000 0.890 348 E CA 0.110 56.533 56.400 0.039 0.000 0.749 348 E CB 1.152 30.865 29.700 0.021 0.000 1.193 348 E HN 0.645 nan 8.360 nan 0.000 0.423 349 S N 3.910 119.661 115.700 0.084 0.000 4.114 349 S HA -0.322 4.148 4.470 -0.000 0.000 0.618 349 S C 0.760 175.458 174.600 0.164 0.000 1.937 349 S CA 1.828 60.084 58.200 0.092 0.000 4.228 349 S CB -1.148 62.089 63.200 0.062 0.000 0.216 349 S HN 0.756 nan 8.310 nan 0.000 0.528 350 N N 1.803 120.592 118.700 0.148 0.000 2.295 350 N HA 0.242 4.981 4.740 -0.000 0.000 0.221 350 N C -0.394 175.339 175.510 0.372 0.000 1.129 350 N CA 0.421 53.593 53.050 0.203 0.000 0.836 350 N CB 0.015 38.531 38.487 0.049 0.000 1.040 350 N HN 0.444 nan 8.380 nan 0.000 0.494 351 T N 0.152 114.894 114.554 0.313 0.000 2.876 351 T HA 0.426 4.776 4.350 -0.000 0.000 0.289 351 T C -0.687 173.996 174.700 -0.028 0.000 1.014 351 T CA -0.493 61.715 62.100 0.180 0.000 0.986 351 T CB 2.547 71.457 68.868 0.071 0.000 1.021 351 T HN -0.131 nan 8.240 nan 0.000 0.458 352 V N 4.210 123.991 119.914 -0.220 0.000 2.384 352 V HA 0.482 4.602 4.120 -0.000 0.000 0.287 352 V C -0.204 175.756 176.094 -0.225 0.000 1.020 352 V CA -0.799 61.271 62.300 -0.383 0.000 0.850 352 V CB 1.377 32.785 31.823 -0.692 0.000 0.987 352 V HN 0.779 nan 8.190 nan 0.000 0.436 353 I N 4.442 124.895 120.570 -0.195 0.000 2.304 353 I HA 0.344 4.514 4.170 -0.000 0.000 0.291 353 I C -0.192 175.720 176.117 -0.342 0.000 1.018 353 I CA -0.066 61.100 61.300 -0.223 0.000 1.260 353 I CB 0.900 38.807 38.000 -0.155 0.000 1.390 353 I HN 0.543 nan 8.210 nan 0.000 0.475 354 C N 5.456 124.539 119.300 -0.362 0.000 2.341 354 C HA 0.437 4.897 4.460 -0.000 0.000 0.338 354 C C 0.101 174.807 174.990 -0.474 0.000 1.257 354 C CA -0.638 58.185 59.018 -0.325 0.000 1.883 354 C CB 0.246 27.892 27.740 -0.157 0.000 2.334 354 C HN 0.613 nan 8.230 nan 0.000 0.524 355 H N 1.345 120.434 119.070 0.031 0.000 2.736 355 H HA 0.286 4.842 4.556 -0.000 0.000 0.271 355 H C 0.582 175.949 175.328 0.065 0.000 1.184 355 H CA -0.011 56.069 56.048 0.053 0.000 1.378 355 H CB 0.944 30.751 29.762 0.076 0.000 1.428 355 H HN 0.962 nan 8.280 nan 0.000 0.500 356 G N 1.973 110.829 108.800 0.093 0.000 2.321 356 G HA2 0.252 4.212 3.960 -0.000 0.000 0.237 356 G HA3 0.252 4.212 3.960 -0.000 0.000 0.237 356 G C 0.537 175.479 174.900 0.070 0.000 1.282 356 G CA -0.119 45.014 45.100 0.055 0.000 0.886 356 G HN 0.416 nan 8.290 nan 0.000 0.528 357 V N 0.391 120.318 119.914 0.022 0.000 2.919 357 V HA 0.616 4.736 4.120 -0.000 0.000 0.316 357 V C 1.159 177.254 176.094 0.001 0.000 1.077 357 V CA -0.576 61.733 62.300 0.015 0.000 0.977 357 V CB 1.929 33.717 31.823 -0.058 0.000 1.039 357 V HN 0.720 nan 8.190 nan 0.000 0.441 358 E N 1.462 121.667 120.200 0.008 0.000 2.023 358 E HA -0.056 4.294 4.350 -0.000 0.000 0.196 358 E C 0.396 176.990 176.600 -0.009 0.000 1.003 358 E CA 1.724 58.126 56.400 0.003 0.000 0.809 358 E CB 0.169 29.874 29.700 0.008 0.000 0.755 358 E HN 0.694 nan 8.360 nan 0.000 0.449 359 K N -0.370 120.020 120.400 -0.017 0.000 2.502 359 K HA 0.370 4.690 4.320 -0.000 0.000 0.257 359 K C -0.697 175.881 176.600 -0.038 0.000 0.938 359 K CA -0.642 55.631 56.287 -0.023 0.000 0.819 359 K CB 1.710 34.201 32.500 -0.015 0.000 1.333 359 K HN 0.068 nan 8.250 nan 0.000 0.434 360 L N 0.625 121.824 121.223 -0.039 0.000 2.431 360 L HA 0.458 4.798 4.340 -0.000 0.000 0.260 360 L C 0.208 177.058 176.870 -0.033 0.000 1.098 360 L CA -0.673 54.138 54.840 -0.048 0.000 0.800 360 L CB 1.341 43.373 42.059 -0.045 0.000 1.210 360 L HN 0.475 nan 8.230 nan 0.000 0.465 361 S N -0.404 115.277 115.700 -0.032 0.000 2.472 361 S HA 0.483 4.953 4.470 -0.000 0.000 0.303 361 S C 0.097 174.688 174.600 -0.015 0.000 1.099 361 S CA -0.700 57.488 58.200 -0.020 0.000 1.077 361 S CB 1.714 64.904 63.200 -0.017 0.000 1.031 361 S HN 0.764 nan 8.310 nan 0.000 0.487 362 G N 1.347 110.141 108.800 -0.009 0.000 2.380 362 G HA2 0.509 4.469 3.960 -0.000 0.000 0.242 362 G HA3 0.509 4.469 3.960 -0.000 0.000 0.242 362 G C -0.243 174.656 174.900 -0.002 0.000 1.298 362 G CA 0.077 45.174 45.100 -0.005 0.000 0.878 362 G HN 0.996 nan 8.290 nan 0.000 0.542 363 A N 2.028 124.849 122.820 0.002 0.000 2.586 363 A HA 0.670 4.989 4.320 -0.000 0.000 0.290 363 A C -0.559 177.031 177.584 0.009 0.000 1.086 363 A CA -0.800 51.239 52.037 0.004 0.000 0.665 363 A CB 0.956 19.956 19.000 0.001 0.000 1.279 363 A HN 0.661 nan 8.150 nan 0.000 0.423 364 Q N 0.406 120.213 119.800 0.011 0.000 2.295 364 Q HA 0.495 4.835 4.340 -0.000 0.000 0.259 364 Q C -0.096 175.911 176.000 0.012 0.000 0.976 364 Q CA -0.418 55.395 55.803 0.015 0.000 0.923 364 Q CB 1.285 30.033 28.738 0.016 0.000 1.185 364 Q HN 0.884 nan 8.270 nan 0.000 0.410 365 V N -0.410 119.512 119.914 0.013 0.000 3.141 365 V HA 0.696 4.816 4.120 -0.000 0.000 0.312 365 V C -0.773 175.325 176.094 0.007 0.000 1.157 365 V CA -1.304 61.001 62.300 0.009 0.000 1.041 365 V CB 2.302 34.129 31.823 0.006 0.000 1.071 365 V HN 0.826 nan 8.190 nan 0.000 0.441 366 M N 2.251 121.852 119.600 0.002 0.000 2.259 366 M HA 0.797 5.277 4.480 -0.000 0.000 0.304 366 M C -0.203 176.082 176.300 -0.026 0.000 1.019 366 M CA -0.644 54.654 55.300 -0.003 0.000 0.922 366 M CB 1.592 34.198 32.600 0.010 0.000 1.600 366 M HN 1.213 nan 8.290 nan 0.000 0.433 367 A N 2.756 125.548 122.820 -0.047 0.000 2.440 367 A HA 0.464 4.784 4.320 -0.000 0.000 0.251 367 A C 0.816 178.290 177.584 -0.184 0.000 1.089 367 A CA 0.100 52.071 52.037 -0.111 0.000 0.779 367 A CB 0.018 18.946 19.000 -0.120 0.000 1.022 367 A HN 0.954 nan 8.150 nan 0.000 0.492 368 T N -1.447 112.924 114.554 -0.306 0.000 2.969 368 T HA 0.348 4.698 4.350 -0.000 0.000 0.250 368 T C 0.015 174.276 174.700 -0.732 0.000 1.021 368 T CA 0.662 62.541 62.100 -0.369 0.000 1.003 368 T CB -0.382 68.396 68.868 -0.150 0.000 1.040 368 T HN 0.850 nan 8.240 nan 0.000 0.492 369 D N -0.756 119.205 120.400 -0.731 0.000 2.671 369 D HA 0.402 5.042 4.640 -0.000 0.000 0.273 369 D C 0.691 176.786 176.300 -0.342 0.000 1.264 369 D CA -0.948 52.703 54.000 -0.583 0.000 0.788 369 D CB 0.775 41.408 40.800 -0.277 0.000 1.324 369 D HN -0.108 nan 8.370 nan 0.000 0.424 370 L N 0.661 121.799 121.223 -0.140 0.000 1.965 370 L HA -0.169 4.171 4.340 -0.000 0.000 0.226 370 L C 1.990 178.877 176.870 0.028 0.000 1.083 370 L CA 1.992 56.833 54.840 0.001 0.000 0.790 370 L CB -0.673 41.413 42.059 0.045 0.000 0.898 370 L HN 0.509 nan 8.230 nan 0.000 0.439 371 R N -0.039 120.467 120.500 0.010 0.000 2.115 371 R HA 0.019 4.359 4.340 -0.000 0.000 0.230 371 R C 2.192 178.446 176.300 -0.076 0.000 1.111 371 R CA 1.263 57.374 56.100 0.019 0.000 0.976 371 R CB -1.576 28.730 30.300 0.010 0.000 0.870 371 R HN 0.594 nan 8.270 nan 0.000 0.445 372 A N 1.410 124.162 122.820 -0.113 0.000 1.902 372 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 372 A C 2.384 179.908 177.584 -0.100 0.000 1.181 372 A CA 2.060 54.028 52.037 -0.115 0.000 0.623 372 A CB -0.607 18.362 19.000 -0.052 0.000 0.818 372 A HN 0.464 nan 8.150 nan 0.000 0.443 373 S N 0.278 115.902 115.700 -0.126 0.000 2.368 373 S HA -0.000 4.470 4.470 -0.000 0.000 0.225 373 S C 2.108 176.626 174.600 -0.138 0.000 1.030 373 S CA 1.438 59.562 58.200 -0.128 0.000 0.999 373 S CB -0.722 62.394 63.200 -0.140 0.000 0.844 373 S HN 0.937 nan 8.310 nan 0.000 0.459 374 A N 1.597 124.309 122.820 -0.180 0.000 1.933 374 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 374 A C 2.465 179.928 177.584 -0.201 0.000 1.175 374 A CA 1.839 53.694 52.037 -0.302 0.000 0.628 374 A CB -1.191 17.518 19.000 -0.484 0.000 0.814 374 A HN 0.579 nan 8.150 nan 0.000 0.444 375 S N -0.036 115.581 115.700 -0.139 0.000 2.368 375 S HA -0.069 4.401 4.470 -0.000 0.000 0.224 375 S C 1.802 176.363 174.600 -0.065 0.000 1.029 375 S CA 1.377 59.517 58.200 -0.101 0.000 0.988 375 S CB -0.441 62.699 63.200 -0.100 0.000 0.838 375 S HN 0.525 nan 8.310 nan 0.000 0.462 376 L N 1.069 122.263 121.223 -0.049 0.000 2.083 376 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 376 L C 2.286 179.146 176.870 -0.017 0.000 1.083 376 L CA 0.821 55.648 54.840 -0.022 0.000 0.752 376 L CB -0.716 41.334 42.059 -0.016 0.000 0.899 376 L HN 0.208 nan 8.230 nan 0.000 0.433 377 V N 0.057 119.957 119.914 -0.024 0.000 2.427 377 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 377 V C 2.394 178.469 176.094 -0.032 0.000 1.051 377 V CA 1.412 63.722 62.300 0.016 0.000 1.048 377 V CB -0.285 31.575 31.823 0.062 0.000 0.666 377 V HN 0.345 nan 8.190 nan 0.000 0.456 378 L N 0.046 121.224 121.223 -0.076 0.000 2.056 378 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 378 L C 2.772 179.610 176.870 -0.054 0.000 1.078 378 L CA 1.528 56.318 54.840 -0.082 0.000 0.749 378 L CB -0.848 41.142 42.059 -0.114 0.000 0.901 378 L HN 0.370 nan 8.230 nan 0.000 0.433 379 A N 0.504 123.299 122.820 -0.043 0.000 1.908 379 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 379 A C 2.396 179.966 177.584 -0.023 0.000 1.181 379 A CA 1.825 53.843 52.037 -0.031 0.000 0.627 379 A CB -1.265 17.723 19.000 -0.020 0.000 0.818 379 A HN 0.452 nan 8.150 nan 0.000 0.445 380 G N -1.031 107.760 108.800 -0.015 0.000 2.442 380 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 380 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 380 G C 1.533 176.424 174.900 -0.016 0.000 1.141 380 G CA 1.299 46.395 45.100 -0.008 0.000 0.763 380 G HN 0.536 nan 8.290 nan 0.000 0.554 381 C N 0.690 119.975 119.300 -0.025 0.000 2.435 381 C HA 0.046 4.505 4.460 -0.000 0.000 0.279 381 C C 2.600 177.576 174.990 -0.024 0.000 1.321 381 C CA 0.869 59.871 59.018 -0.028 0.000 1.752 381 C CB -0.885 26.835 27.740 -0.033 0.000 1.959 381 C HN 0.663 nan 8.230 nan 0.000 0.500 382 I N -1.206 119.349 120.570 -0.026 0.000 3.956 382 I HA 0.386 4.555 4.170 -0.000 0.000 0.333 382 I C 1.052 177.156 176.117 -0.022 0.000 1.302 382 I CA -0.141 61.145 61.300 -0.024 0.000 1.122 382 I CB -0.409 37.574 38.000 -0.028 0.000 1.013 382 I HN 0.060 nan 8.210 nan 0.000 0.405 383 A N 1.566 124.374 122.820 -0.021 0.000 2.313 383 A HA 0.329 4.649 4.320 -0.000 0.000 0.261 383 A C -0.165 177.410 177.584 -0.015 0.000 1.090 383 A CA -0.149 51.877 52.037 -0.019 0.000 0.807 383 A CB 0.256 19.245 19.000 -0.018 0.000 1.055 383 A HN 0.404 nan 8.150 nan 0.000 0.492 384 E N -0.281 119.911 120.200 -0.014 0.000 2.089 384 E HA 0.490 4.840 4.350 -0.000 0.000 0.284 384 E C 0.643 177.238 176.600 -0.008 0.000 1.023 384 E CA 1.413 57.807 56.400 -0.010 0.000 0.819 384 E CB 0.328 30.023 29.700 -0.009 0.000 1.076 384 E HN 1.415 nan 8.360 nan 0.000 0.396 385 G N 2.797 111.593 108.800 -0.007 0.000 2.418 385 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.206 385 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.206 385 G C -0.571 174.327 174.900 -0.004 0.000 1.202 385 G CA -0.416 44.681 45.100 -0.004 0.000 1.061 385 G HN 0.534 nan 8.290 nan 0.000 0.563 386 T N 1.305 115.859 114.554 -0.000 0.000 2.795 386 T HA 0.681 5.031 4.350 -0.000 0.000 0.282 386 T C -0.188 174.516 174.700 0.007 0.000 0.980 386 T CA 0.304 62.406 62.100 0.003 0.000 1.012 386 T CB 1.541 70.412 68.868 0.006 0.000 0.936 386 T HN 0.738 nan 8.240 nan 0.000 0.457 387 T N 2.613 117.174 114.554 0.012 0.000 2.841 387 T HA 0.546 4.896 4.350 -0.000 0.000 0.283 387 T C -0.581 174.140 174.700 0.035 0.000 1.000 387 T CA -0.534 61.577 62.100 0.018 0.000 0.977 387 T CB 1.330 70.207 68.868 0.015 0.000 0.979 387 T HN 0.328 nan 8.240 nan 0.000 0.446 388 V N 3.819 123.755 119.914 0.037 0.000 2.376 388 V HA 0.378 4.498 4.120 -0.000 0.000 0.287 388 V C -0.248 175.875 176.094 0.049 0.000 1.015 388 V CA -0.775 61.556 62.300 0.052 0.000 0.834 388 V CB 1.664 33.512 31.823 0.042 0.000 1.001 388 V HN 0.726 nan 8.190 nan 0.000 0.428 389 V N 4.064 124.019 119.914 0.069 0.000 2.334 389 V HA 0.297 4.416 4.120 -0.000 0.000 0.267 389 V C 0.087 176.183 176.094 0.003 0.000 1.040 389 V CA -0.384 61.935 62.300 0.032 0.000 0.866 389 V CB 1.362 33.205 31.823 0.034 0.000 1.019 389 V HN 0.888 nan 8.190 nan 0.000 0.468 390 D N 4.022 124.423 120.400 0.001 0.000 2.313 390 D HA 0.315 4.955 4.640 -0.000 0.000 0.247 390 D C 0.770 177.058 176.300 -0.019 0.000 1.094 390 D CA -0.183 53.819 54.000 0.004 0.000 0.925 390 D CB 0.506 41.320 40.800 0.024 0.000 1.188 390 D HN 0.501 nan 8.370 nan 0.000 0.430 391 R N 1.593 122.096 120.500 0.005 0.000 3.336 391 R HA -0.185 4.155 4.340 -0.000 0.000 0.260 391 R C 0.821 176.982 176.300 -0.233 0.000 1.032 391 R CA 0.561 56.653 56.100 -0.013 0.000 0.693 391 R CB -2.166 28.150 30.300 0.026 0.000 1.134 391 R HN 0.468 nan 8.270 nan 0.000 0.433 392 I N -2.316 118.107 120.570 -0.245 0.000 3.444 392 I HA -0.100 4.070 4.170 -0.000 0.000 0.287 392 I C 1.931 177.846 176.117 -0.337 0.000 1.302 392 I CA 0.475 61.528 61.300 -0.412 0.000 1.368 392 I CB -0.883 36.588 38.000 -0.882 0.000 1.048 392 I HN 0.334 nan 8.210 nan 0.000 0.487 393 Y N -0.372 119.805 120.300 -0.204 0.000 2.333 393 Y HA -0.192 4.358 4.550 -0.000 0.000 0.290 393 Y C 2.350 178.164 175.900 -0.143 0.000 1.144 393 Y CA 1.317 59.310 58.100 -0.178 0.000 1.228 393 Y CB -1.543 36.798 38.460 -0.197 0.000 0.985 393 Y HN 0.196 nan 8.280 nan 0.000 0.542 394 H N 0.610 119.276 119.070 -0.674 0.000 2.353 394 H HA -0.185 4.370 4.556 -0.000 0.000 0.298 394 H C 2.340 177.580 175.328 -0.146 0.000 1.103 394 H CA 2.037 57.829 56.048 -0.428 0.000 1.293 394 H CB -0.314 29.160 29.762 -0.480 0.000 1.372 394 H HN 0.513 nan 8.280 nan 0.000 0.501 395 I N 1.061 121.613 120.570 -0.030 0.000 2.394 395 I HA -0.203 3.967 4.170 -0.000 0.000 0.251 395 I C 1.204 177.413 176.117 0.154 0.000 1.136 395 I CA 1.081 62.411 61.300 0.051 0.000 1.425 395 I CB 0.008 37.950 38.000 -0.097 0.000 1.079 395 I HN 0.083 nan 8.210 nan 0.000 0.425 396 D N 0.482 120.932 120.400 0.083 0.000 2.378 396 D HA -0.110 4.529 4.640 -0.000 0.000 0.222 396 D C 2.038 178.407 176.300 0.116 0.000 0.980 396 D CA 0.475 54.545 54.000 0.117 0.000 0.907 396 D CB -0.109 40.745 40.800 0.090 0.000 0.899 396 D HN 0.392 nan 8.370 nan 0.000 0.527 397 R N -0.079 120.490 120.500 0.114 0.000 2.093 397 R HA 0.014 4.354 4.340 -0.000 0.000 0.224 397 R C 1.809 178.147 176.300 0.063 0.000 1.101 397 R CA 1.102 57.256 56.100 0.090 0.000 0.979 397 R CB 0.115 30.471 30.300 0.093 0.000 0.877 397 R HN 0.120 nan 8.270 nan 0.000 0.441 398 G N -1.490 107.353 108.800 0.072 0.000 3.441 398 G HA2 0.116 4.075 3.960 -0.000 0.000 0.263 398 G HA3 0.116 4.075 3.960 -0.000 0.000 0.263 398 G C -0.552 174.164 174.900 -0.306 0.000 1.014 398 G CA -0.166 44.872 45.100 -0.102 0.000 0.833 398 G HN 0.058 nan 8.290 nan 0.000 0.514 399 Y N 0.254 120.593 120.300 0.065 0.000 2.373 399 Y HA 0.435 4.985 4.550 -0.000 0.000 0.336 399 Y C -0.170 175.794 175.900 0.107 0.000 0.979 399 Y CA -1.286 56.871 58.100 0.096 0.000 1.080 399 Y CB 1.929 40.447 38.460 0.097 0.000 1.190 399 Y HN -0.000 nan 8.280 nan 0.000 0.446 400 E N 5.091 125.429 120.200 0.229 0.000 2.105 400 E HA 0.193 4.543 4.350 -0.000 0.000 0.285 400 E C 0.046 176.762 176.600 0.194 0.000 1.055 400 E CA -0.433 56.068 56.400 0.168 0.000 0.843 400 E CB 0.333 30.099 29.700 0.109 0.000 1.067 400 E HN 0.745 nan 8.360 nan 0.000 0.398 401 R N 3.723 124.330 120.500 0.179 0.000 3.322 401 R HA -0.242 4.098 4.340 -0.000 0.000 0.253 401 R C 0.341 176.760 176.300 0.198 0.000 0.987 401 R CA 0.795 56.994 56.100 0.166 0.000 0.666 401 R CB -2.538 27.829 30.300 0.111 0.000 1.072 401 R HN 0.787 nan 8.270 nan 0.000 0.447 402 I N 0.459 121.188 120.570 0.264 0.000 2.315 402 I HA -0.316 3.854 4.170 -0.000 0.000 0.251 402 I C 2.506 178.723 176.117 0.167 0.000 1.125 402 I CA 2.217 63.680 61.300 0.272 0.000 1.392 402 I CB -0.099 38.009 38.000 0.180 0.000 1.065 402 I HN 0.639 nan 8.210 nan 0.000 0.424 403 E N 0.734 121.001 120.200 0.111 0.000 2.049 403 E HA -0.304 4.046 4.350 -0.000 0.000 0.198 403 E C 1.667 178.239 176.600 -0.046 0.000 1.007 403 E CA 2.112 58.453 56.400 -0.097 0.000 0.809 403 E CB -0.020 29.617 29.700 -0.105 0.000 0.749 403 E HN 0.514 nan 8.360 nan 0.000 0.450 404 D N 0.261 120.670 120.400 0.016 0.000 2.117 404 D HA -0.128 4.511 4.640 -0.000 0.000 0.198 404 D C 1.892 178.206 176.300 0.023 0.000 0.982 404 D CA 1.083 55.090 54.000 0.012 0.000 0.828 404 D CB -0.158 40.656 40.800 0.024 0.000 0.967 404 D HN 0.199 nan 8.370 nan 0.000 0.464 405 K N 0.219 120.657 120.400 0.064 0.000 2.097 405 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 405 K C 2.275 178.936 176.600 0.101 0.000 1.049 405 K CA 0.534 56.850 56.287 0.048 0.000 0.933 405 K CB -0.068 32.463 32.500 0.052 0.000 0.717 405 K HN 0.158 nan 8.250 nan 0.000 0.442 406 L N 0.375 121.688 121.223 0.149 0.000 2.109 406 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 406 L C 2.704 179.593 176.870 0.031 0.000 1.086 406 L CA 0.876 55.789 54.840 0.121 0.000 0.760 406 L CB -0.256 41.835 42.059 0.052 0.000 0.910 406 L HN 0.155 nan 8.230 nan 0.000 0.437 407 R N 0.420 120.915 120.500 -0.008 0.000 2.096 407 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 407 R C 2.161 178.452 176.300 -0.015 0.000 1.127 407 R CA 1.303 57.386 56.100 -0.028 0.000 0.968 407 R CB -0.174 30.099 30.300 -0.045 0.000 0.861 407 R HN 0.319 nan 8.270 nan 0.000 0.440 408 A N 0.259 123.074 122.820 -0.009 0.000 2.172 408 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 408 A C 1.711 179.288 177.584 -0.013 0.000 1.154 408 A CA 0.753 52.780 52.037 -0.017 0.000 0.701 408 A CB -0.118 18.865 19.000 -0.028 0.000 0.789 408 A HN 0.343 nan 8.150 nan 0.000 0.465 409 L N -1.963 119.263 121.223 0.005 0.000 2.640 409 L HA 0.287 4.627 4.340 -0.000 0.000 0.230 409 L C 1.501 178.375 176.870 0.007 0.000 1.123 409 L CA 0.578 55.426 54.840 0.014 0.000 0.900 409 L CB 0.313 42.405 42.059 0.056 0.000 1.146 409 L HN 0.521 nan 8.230 nan 0.000 0.484 410 G N -0.029 108.769 108.800 -0.003 0.000 2.168 410 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.197 410 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.197 410 G C 0.325 175.217 174.900 -0.014 0.000 0.997 410 G CA -0.143 44.952 45.100 -0.009 0.000 0.658 410 G HN 0.393 nan 8.290 nan 0.000 0.513 411 A N 0.077 122.888 122.820 -0.016 0.000 2.388 411 A HA 0.609 4.929 4.320 -0.000 0.000 0.257 411 A C 0.456 178.013 177.584 -0.046 0.000 1.095 411 A CA 0.115 52.134 52.037 -0.031 0.000 0.791 411 A CB 0.440 19.418 19.000 -0.036 0.000 1.029 411 A HN 0.522 nan 8.150 nan 0.000 0.489 412 N N 2.013 120.684 118.700 -0.048 0.000 2.678 412 N HA 0.367 5.107 4.740 -0.000 0.000 0.231 412 N C -1.293 174.173 175.510 -0.075 0.000 1.038 412 N CA -0.050 52.969 53.050 -0.052 0.000 0.932 412 N CB 0.315 38.781 38.487 -0.035 0.000 1.176 412 N HN 0.661 nan 8.380 nan 0.000 0.511 413 I N 1.052 121.555 120.570 -0.112 0.000 2.647 413 I HA 0.438 4.608 4.170 -0.000 0.000 0.295 413 I C -1.229 174.774 176.117 -0.191 0.000 1.078 413 I CA -0.698 60.493 61.300 -0.181 0.000 1.048 413 I CB 2.102 39.928 38.000 -0.291 0.000 1.239 413 I HN 0.376 nan 8.210 nan 0.000 0.421 414 E N 7.190 127.287 120.200 -0.173 0.000 2.275 414 E HA 0.361 4.711 4.350 -0.000 0.000 0.270 414 E C -1.411 175.159 176.600 -0.050 0.000 0.882 414 E CA -0.932 55.404 56.400 -0.106 0.000 0.758 414 E CB 1.833 31.511 29.700 -0.037 0.000 1.195 414 E HN 0.638 nan 8.360 nan 0.000 0.419 415 R N 3.715 124.218 120.500 0.005 0.000 2.234 415 R HA 0.365 4.705 4.340 -0.000 0.000 0.324 415 R C -0.520 175.865 176.300 0.141 0.000 1.054 415 R CA -0.372 55.852 56.100 0.207 0.000 0.912 415 R CB 0.778 31.238 30.300 0.266 0.000 1.030 415 R HN 0.390 nan 8.270 nan 0.000 0.455 416 V N 1.368 121.374 119.914 0.153 0.000 3.001 416 V HA 0.567 4.686 4.120 -0.000 0.000 0.314 416 V C -0.234 175.910 176.094 0.083 0.000 1.099 416 V CA -0.984 61.372 62.300 0.093 0.000 0.989 416 V CB 2.199 34.066 31.823 0.073 0.000 1.040 416 V HN 0.669 nan 8.190 nan 0.000 0.434 417 K N 1.816 122.250 120.400 0.057 0.000 3.590 417 K HA 0.464 4.784 4.320 -0.000 0.000 0.170 417 K C 1.533 178.156 176.600 0.038 0.000 1.138 417 K CA 0.620 56.934 56.287 0.045 0.000 1.560 417 K CB -0.967 31.553 32.500 0.034 0.000 2.149 417 K HN 1.891 nan 8.250 nan 0.000 0.487 418 G N 3.017 111.834 108.800 0.029 0.000 2.187 418 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.261 418 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.261 418 G C 0.052 174.965 174.900 0.023 0.000 1.000 418 G CA 1.481 46.596 45.100 0.024 0.000 0.718 418 G HN 0.609 nan 8.290 nan 0.000 0.519 419 E N 0.000 120.213 120.200 0.021 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.411 56.400 0.018 0.000 0.976 419 E CB 0.000 29.706 29.700 0.010 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440