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 3iss_1_L DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT KLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDV DATA SEQUENCE DTSMKLLSQL GAKVERDGSV HIDARDVNVF CAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCTIGAR PVDLHISGLE QLGATIKLEE GYVKASVDGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM CAATLAEGTT IIENAAREPE IVDTANFLIT DATA SEQUENCE LGAKISGQGT DRIVIEGVER LGGGVYRVLP DRIETGTFLV AAAISRGKII DATA SEQUENCE CRNAQPDTLD AVLAKLRDAG ADIEVGEDWI SLDMHGKRPK AVNVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GFITETVFEN RFMHVPELSR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKG 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 0.000 176.299 176.300 -0.002 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.614 32.600 0.023 0.000 1.302 2 D N 2.743 123.132 120.400 -0.019 0.000 2.400 2 D HA 0.429 5.069 4.640 -0.000 0.000 0.238 2 D C 0.056 176.285 176.300 -0.118 0.000 1.157 2 D CA 0.661 54.618 54.000 -0.070 0.000 0.889 2 D CB 1.146 41.882 40.800 -0.108 0.000 1.199 2 D HN 0.313 nan 8.370 nan 0.000 0.436 3 K N 0.302 120.620 120.400 -0.137 0.000 2.512 3 K HA 0.462 4.782 4.320 -0.000 0.000 0.263 3 K C -1.120 175.412 176.600 -0.114 0.000 0.966 3 K CA -0.823 55.386 56.287 -0.130 0.000 0.851 3 K CB 1.627 34.115 32.500 -0.020 0.000 1.395 3 K HN 0.136 nan 8.250 nan 0.000 0.440 4 F N 1.609 121.564 119.950 0.009 0.000 2.427 4 F HA 0.396 4.922 4.527 -0.000 0.000 0.346 4 F C 0.387 176.188 175.800 0.002 0.000 1.120 4 F CA -0.874 57.128 58.000 0.004 0.000 1.033 4 F CB 1.388 40.385 39.000 -0.005 0.000 1.126 4 F HN 0.268 nan 8.300 nan 0.000 0.462 5 R N 3.344 123.974 120.500 0.217 0.000 2.265 5 R HA 0.731 5.071 4.340 -0.000 0.000 0.319 5 R C -1.868 174.473 176.300 0.068 0.000 1.006 5 R CA -0.312 55.855 56.100 0.111 0.000 0.880 5 R CB 1.023 31.369 30.300 0.076 0.000 1.077 5 R HN 0.505 nan 8.270 nan 0.000 0.454 6 V N 4.460 124.398 119.914 0.040 0.000 2.604 6 V HA 0.344 4.463 4.120 -0.000 0.000 0.305 6 V C -0.641 175.452 176.094 -0.001 0.000 1.043 6 V CA -0.907 61.393 62.300 0.000 0.000 0.888 6 V CB 1.957 33.770 31.823 -0.017 0.000 0.995 6 V HN 0.747 nan 8.190 nan 0.000 0.429 7 Q N 2.413 122.206 119.800 -0.011 0.000 2.331 7 Q HA 0.723 5.063 4.340 -0.000 0.000 0.267 7 Q C -0.014 175.978 176.000 -0.014 0.000 1.006 7 Q CA -0.246 55.552 55.803 -0.008 0.000 0.818 7 Q CB 2.678 31.413 28.738 -0.006 0.000 1.276 7 Q HN 1.002 nan 8.270 nan 0.000 0.450 8 G N 2.319 111.112 108.800 -0.012 0.000 2.766 8 G HA2 0.696 4.656 3.960 -0.000 0.000 0.288 8 G HA3 0.696 4.656 3.960 -0.000 0.000 0.288 8 G C -2.897 171.996 174.900 -0.010 0.000 1.408 8 G CA -1.100 43.991 45.100 -0.014 0.000 0.852 8 G HN 0.286 nan 8.290 nan 0.000 0.487 9 P HA 0.426 nan 4.420 nan 0.000 0.276 9 P C -0.729 176.563 177.300 -0.014 0.000 1.244 9 P CA 0.032 63.124 63.100 -0.013 0.000 0.801 9 P CB 1.850 33.543 31.700 -0.011 0.000 1.006 10 T N -0.143 114.400 114.554 -0.017 0.000 3.041 10 T HA 0.308 4.657 4.350 -0.000 0.000 0.321 10 T C -1.201 173.488 174.700 -0.018 0.000 1.184 10 T CA -0.754 61.335 62.100 -0.018 0.000 1.050 10 T CB 0.955 69.810 68.868 -0.022 0.000 1.159 10 T HN 0.406 nan 8.240 nan 0.000 0.469 11 K N 5.242 125.632 120.400 -0.016 0.000 2.253 11 K HA 0.558 4.878 4.320 -0.000 0.000 0.277 11 K C -0.589 176.002 176.600 -0.016 0.000 1.053 11 K CA -0.602 55.676 56.287 -0.015 0.000 0.892 11 K CB 0.313 32.805 32.500 -0.013 0.000 1.102 11 K HN 0.508 nan 8.250 nan 0.000 0.469 12 L N 6.118 127.333 121.223 -0.013 0.000 2.313 12 L HA 0.239 4.579 4.340 -0.000 0.000 0.282 12 L C -0.022 176.842 176.870 -0.011 0.000 1.092 12 L CA -0.135 54.700 54.840 -0.008 0.000 0.831 12 L CB 0.553 42.617 42.059 0.009 0.000 1.159 12 L HN 0.770 nan 8.230 nan 0.000 0.442 13 Q N 2.650 122.439 119.800 -0.018 0.000 2.534 13 Q HA 0.862 5.202 4.340 -0.000 0.000 0.290 13 Q C -0.316 175.662 176.000 -0.036 0.000 0.991 13 Q CA -0.604 55.184 55.803 -0.025 0.000 0.783 13 Q CB 2.767 31.489 28.738 -0.026 0.000 1.470 13 Q HN 0.650 nan 8.270 nan 0.000 0.406 14 G N 0.691 109.466 108.800 -0.042 0.000 2.255 14 G HA2 0.050 4.010 3.960 -0.000 0.000 0.216 14 G HA3 0.050 4.010 3.960 -0.000 0.000 0.216 14 G C -1.513 173.349 174.900 -0.064 0.000 1.307 14 G CA -0.069 44.999 45.100 -0.054 0.000 1.162 14 G HN 1.084 nan 8.290 nan 0.000 0.494 15 E N -1.945 118.206 120.200 -0.083 0.000 2.410 15 E HA 0.787 5.137 4.350 -0.000 0.000 0.269 15 E C -1.466 175.046 176.600 -0.147 0.000 0.937 15 E CA -1.037 55.306 56.400 -0.095 0.000 0.793 15 E CB 2.718 32.368 29.700 -0.082 0.000 1.314 15 E HN 1.521 nan 8.360 nan 0.000 0.447 16 V N 0.327 120.139 119.914 -0.169 0.000 3.012 16 V HA 0.428 4.548 4.120 -0.000 0.000 0.307 16 V C -1.434 174.562 176.094 -0.164 0.000 1.166 16 V CA -0.318 61.825 62.300 -0.262 0.000 0.974 16 V CB 2.524 34.004 31.823 -0.571 0.000 1.040 16 V HN 0.881 nan 8.190 nan 0.000 0.428 17 T N 7.369 121.840 114.554 -0.138 0.000 2.744 17 T HA 0.517 4.867 4.350 -0.000 0.000 0.291 17 T C -0.151 174.527 174.700 -0.036 0.000 0.957 17 T CA -0.237 61.826 62.100 -0.061 0.000 1.002 17 T CB 0.580 69.424 68.868 -0.039 0.000 0.919 17 T HN 0.459 nan 8.240 nan 0.000 0.468 18 I N 3.437 124.014 120.570 0.011 0.000 2.533 18 I HA 0.138 4.308 4.170 -0.000 0.000 0.284 18 I C 1.198 177.347 176.117 0.054 0.000 1.109 18 I CA -0.015 61.322 61.300 0.060 0.000 1.412 18 I CB 0.152 38.199 38.000 0.079 0.000 1.396 18 I HN 0.575 nan 8.210 nan 0.000 0.543 19 S N 4.315 120.060 115.700 0.076 0.000 2.617 19 S HA 0.423 4.893 4.470 -0.000 0.000 0.259 19 S C 0.735 175.358 174.600 0.039 0.000 1.301 19 S CA -0.516 57.717 58.200 0.055 0.000 0.984 19 S CB 0.894 64.136 63.200 0.070 0.000 0.954 19 S HN 0.846 nan 8.310 nan 0.000 0.572 20 G N -0.007 108.806 108.800 0.020 0.000 2.544 20 G HA2 0.450 4.410 3.960 -0.000 0.000 0.242 20 G HA3 0.450 4.410 3.960 -0.000 0.000 0.242 20 G C -0.111 174.792 174.900 0.005 0.000 1.247 20 G CA -0.420 44.685 45.100 0.008 0.000 0.840 20 G HN 0.907 nan 8.290 nan 0.000 0.578 21 A N 1.444 124.265 122.820 0.000 0.000 2.476 21 A HA 0.232 4.552 4.320 -0.000 0.000 0.275 21 A C 1.676 179.253 177.584 -0.010 0.000 1.133 21 A CA 0.184 52.217 52.037 -0.007 0.000 0.797 21 A CB 0.152 19.147 19.000 -0.007 0.000 1.081 21 A HN 0.909 nan 8.150 nan 0.000 0.510 22 K N 2.527 122.914 120.400 -0.022 0.000 2.089 22 K HA -0.224 4.096 4.320 -0.000 0.000 0.210 22 K C 0.573 177.189 176.600 0.026 0.000 1.048 22 K CA 2.161 58.440 56.287 -0.013 0.000 0.926 22 K CB -0.079 32.389 32.500 -0.053 0.000 0.714 22 K HN 0.710 nan 8.250 nan 0.000 0.448 23 N N -0.273 118.446 118.700 0.030 0.000 2.398 23 N HA 0.046 4.786 4.740 -0.000 0.000 0.188 23 N C 0.707 176.256 175.510 0.065 0.000 1.122 23 N CA 0.682 53.788 53.050 0.092 0.000 0.866 23 N CB 0.709 39.252 38.487 0.094 0.000 0.970 23 N HN 0.339 nan 8.380 nan 0.000 0.462 24 A N 0.183 123.009 122.820 0.011 0.000 1.963 24 A HA 0.397 4.717 4.320 -0.000 0.000 0.207 24 A C 2.204 179.744 177.584 -0.073 0.000 1.243 24 A CA 0.833 52.850 52.037 -0.033 0.000 0.728 24 A CB -0.595 18.396 19.000 -0.016 0.000 0.895 24 A HN 0.172 nan 8.150 nan 0.000 0.467 25 A N 0.185 122.976 122.820 -0.047 0.000 1.884 25 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 25 A C 2.049 179.586 177.584 -0.077 0.000 1.197 25 A CA 2.010 54.001 52.037 -0.078 0.000 0.637 25 A CB -0.773 18.200 19.000 -0.045 0.000 0.827 25 A HN 0.406 nan 8.150 nan 0.000 0.450 26 L N -0.035 121.210 121.223 0.036 0.000 1.989 26 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 26 L C -0.415 176.566 176.870 0.185 0.000 1.071 26 L CA 2.665 57.620 54.840 0.192 0.000 0.749 26 L CB -1.340 40.967 42.059 0.413 0.000 0.890 26 L HN 0.244 nan 8.230 nan 0.000 0.431 27 P HA -0.118 nan 4.420 nan 0.000 0.218 27 P C 2.055 179.162 177.300 -0.322 0.000 1.149 27 P CA 1.414 64.161 63.100 -0.588 0.000 0.817 27 P CB 0.068 31.236 31.700 -0.887 0.000 0.785 28 I N -1.374 118.997 120.570 -0.332 0.000 2.163 28 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 28 I C 2.049 177.891 176.117 -0.459 0.000 1.081 28 I CA 1.130 62.105 61.300 -0.542 0.000 1.353 28 I CB -0.770 36.793 38.000 -0.728 0.000 1.054 28 I HN -0.142 nan 8.210 nan 0.000 0.407 29 L N -0.036 120.980 121.223 -0.346 0.000 2.089 29 L HA -0.255 4.085 4.340 -0.000 0.000 0.213 29 L C 2.179 178.872 176.870 -0.295 0.000 1.079 29 L CA 2.158 56.802 54.840 -0.327 0.000 0.758 29 L CB -0.880 40.949 42.059 -0.385 0.000 0.891 29 L HN 0.124 nan 8.230 nan 0.000 0.433 30 F N -1.413 118.498 119.950 -0.064 0.000 2.335 30 F HA 0.030 4.557 4.527 -0.000 0.000 0.296 30 F C 2.344 178.150 175.800 0.011 0.000 1.091 30 F CA 0.738 58.743 58.000 0.010 0.000 1.399 30 F CB -0.845 38.195 39.000 0.067 0.000 1.067 30 F HN 0.015 nan 8.300 nan 0.000 0.520 31 A N 0.085 122.971 122.820 0.110 0.000 2.015 31 A HA -0.004 4.316 4.320 -0.000 0.000 0.219 31 A C 2.380 180.105 177.584 0.235 0.000 1.163 31 A CA 1.339 53.465 52.037 0.149 0.000 0.646 31 A CB -1.109 17.990 19.000 0.165 0.000 0.806 31 A HN 0.267 nan 8.150 nan 0.000 0.448 32 A N -0.036 122.907 122.820 0.206 0.000 2.024 32 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 32 A C 1.976 179.658 177.584 0.165 0.000 1.164 32 A CA 1.348 53.518 52.037 0.222 0.000 0.643 32 A CB -0.610 18.465 19.000 0.125 0.000 0.806 32 A HN 0.504 nan 8.150 nan 0.000 0.451 33 L N -0.807 120.517 121.223 0.169 0.000 2.349 33 L HA -0.169 4.171 4.340 -0.000 0.000 0.220 33 L C 2.116 179.112 176.870 0.210 0.000 1.130 33 L CA 0.685 55.652 54.840 0.212 0.000 0.791 33 L CB -0.403 41.815 42.059 0.264 0.000 0.918 33 L HN 0.415 nan 8.230 nan 0.000 0.444 34 L N -0.465 120.845 121.223 0.146 0.000 2.313 34 L HA 0.067 4.407 4.340 -0.000 0.000 0.214 34 L C 1.400 178.289 176.870 0.032 0.000 1.119 34 L CA -0.290 54.593 54.840 0.072 0.000 0.809 34 L CB -0.327 41.757 42.059 0.042 0.000 0.933 34 L HN 0.128 nan 8.230 nan 0.000 0.449 35 A N 0.407 123.263 122.820 0.061 0.000 2.396 35 A HA 0.074 4.394 4.320 -0.000 0.000 0.279 35 A C 1.169 178.774 177.584 0.035 0.000 1.165 35 A CA -0.302 51.752 52.037 0.029 0.000 0.824 35 A CB 0.150 19.182 19.000 0.053 0.000 1.100 35 A HN 0.190 nan 8.150 nan 0.000 0.516 36 E N 1.492 121.695 120.200 0.004 0.000 2.331 36 E HA -0.129 4.221 4.350 -0.000 0.000 0.199 36 E C -0.096 176.522 176.600 0.030 0.000 1.008 36 E CA 1.467 57.873 56.400 0.010 0.000 0.843 36 E CB -0.259 29.434 29.700 -0.012 0.000 0.761 36 E HN 0.976 nan 8.360 nan 0.000 0.507 37 E N -2.119 118.100 120.200 0.031 0.000 6.013 37 E HA 0.024 4.374 4.350 -0.000 0.000 0.521 37 E C -3.010 173.608 176.600 0.031 0.000 0.954 37 E CA -0.440 55.984 56.400 0.040 0.000 2.801 37 E CB -0.622 29.101 29.700 0.040 0.000 0.816 37 E HN -0.076 nan 8.360 nan 0.000 0.304 38 P HA 0.817 nan 4.420 nan 0.000 0.311 38 P C -1.576 175.779 177.300 0.092 0.000 1.044 38 P CA -0.668 62.474 63.100 0.069 0.000 1.027 38 P CB 2.331 34.071 31.700 0.066 0.000 1.372 39 V N -1.098 118.892 119.914 0.127 0.000 3.098 39 V HA 0.420 4.540 4.120 -0.000 0.000 0.294 39 V C -1.756 174.427 176.094 0.148 0.000 1.351 39 V CA -0.429 61.962 62.300 0.151 0.000 0.999 39 V CB 2.086 34.029 31.823 0.200 0.000 1.104 39 V HN 0.720 nan 8.190 nan 0.000 0.438 40 E N 4.486 124.760 120.200 0.124 0.000 2.191 40 E HA 0.577 4.927 4.350 -0.000 0.000 0.263 40 E C -1.720 174.880 176.600 -0.000 0.000 0.881 40 E CA -0.693 55.690 56.400 -0.027 0.000 0.757 40 E CB 1.679 31.355 29.700 -0.040 0.000 1.147 40 E HN 0.583 nan 8.360 nan 0.000 0.414 41 I N 4.066 124.587 120.570 -0.081 0.000 2.321 41 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 41 I C 0.169 176.237 176.117 -0.083 0.000 0.998 41 I CA -0.163 61.109 61.300 -0.046 0.000 1.227 41 I CB 1.523 39.456 38.000 -0.113 0.000 1.368 41 I HN 0.453 nan 8.210 nan 0.000 0.466 42 Q N 3.955 123.730 119.800 -0.041 0.000 2.215 42 Q HA 0.386 4.726 4.340 -0.000 0.000 0.256 42 Q C 0.232 176.204 176.000 -0.046 0.000 0.972 42 Q CA -0.785 54.984 55.803 -0.056 0.000 0.889 42 Q CB 0.903 29.611 28.738 -0.050 0.000 1.281 42 Q HN 0.551 nan 8.270 nan 0.000 0.456 43 N N -0.190 118.485 118.700 -0.041 0.000 2.758 43 N HA -0.156 4.584 4.740 -0.000 0.000 0.248 43 N C -1.795 173.700 175.510 -0.024 0.000 1.076 43 N CA 0.253 53.286 53.050 -0.028 0.000 0.696 43 N CB -0.939 37.529 38.487 -0.031 0.000 0.979 43 N HN 0.317 nan 8.380 nan 0.000 0.550 44 V N 1.935 121.830 119.914 -0.031 0.000 2.432 44 V HA 0.444 4.564 4.120 -0.000 0.000 0.275 44 V C -1.508 174.578 176.094 -0.013 0.000 1.043 44 V CA -1.118 61.164 62.300 -0.030 0.000 0.925 44 V CB 1.435 33.228 31.823 -0.050 0.000 0.985 44 V HN 0.198 nan 8.190 nan 0.000 0.466 45 P HA 0.157 nan 4.420 nan 0.000 0.271 45 P C -0.759 176.550 177.300 0.015 0.000 1.218 45 P CA -0.397 62.711 63.100 0.013 0.000 0.780 45 P CB 0.665 32.374 31.700 0.015 0.000 0.901 46 K N 3.126 123.543 120.400 0.029 0.000 2.150 46 K HA 0.364 4.684 4.320 -0.000 0.000 0.261 46 K C -0.183 176.443 176.600 0.043 0.000 1.127 46 K CA -0.135 56.170 56.287 0.030 0.000 0.989 46 K CB -0.095 32.426 32.500 0.034 0.000 1.475 46 K HN 0.450 nan 8.250 nan 0.000 0.391 47 L N 1.709 122.952 121.223 0.033 0.000 2.370 47 L HA 0.297 4.637 4.340 -0.000 0.000 0.266 47 L C 1.206 178.096 176.870 0.034 0.000 1.002 47 L CA -0.899 53.965 54.840 0.040 0.000 0.818 47 L CB 1.808 43.882 42.059 0.025 0.000 1.325 47 L HN 0.286 nan 8.230 nan 0.000 0.418 48 K N 0.730 121.155 120.400 0.042 0.000 2.152 48 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 48 K C 1.168 177.788 176.600 0.033 0.000 1.048 48 K CA 1.600 57.909 56.287 0.036 0.000 0.933 48 K CB 0.074 32.600 32.500 0.043 0.000 0.721 48 K HN 0.538 nan 8.250 nan 0.000 0.447 49 D N -0.677 119.746 120.400 0.038 0.000 2.178 49 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 49 D C 1.685 178.013 176.300 0.047 0.000 0.980 49 D CA 0.814 54.843 54.000 0.050 0.000 0.842 49 D CB 0.038 40.870 40.800 0.053 0.000 0.948 49 D HN 0.002 nan 8.370 nan 0.000 0.472 50 V N 1.137 121.065 119.914 0.024 0.000 2.379 50 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 50 V C 1.739 177.825 176.094 -0.013 0.000 1.044 50 V CA 1.529 63.826 62.300 -0.004 0.000 1.036 50 V CB -0.336 31.479 31.823 -0.013 0.000 0.664 50 V HN 0.082 nan 8.190 nan 0.000 0.453 51 D N 0.176 120.576 120.400 0.000 0.000 2.106 51 D HA -0.177 4.463 4.640 -0.000 0.000 0.191 51 D C 2.257 178.557 176.300 -0.000 0.000 0.997 51 D CA 2.121 56.120 54.000 -0.002 0.000 0.834 51 D CB -0.688 40.115 40.800 0.005 0.000 0.956 51 D HN 0.372 nan 8.370 nan 0.000 0.448 52 T N 0.369 114.933 114.554 0.017 0.000 2.759 52 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 52 T C 2.176 176.903 174.700 0.045 0.000 1.042 52 T CA 1.457 63.576 62.100 0.033 0.000 1.140 52 T CB -0.264 68.632 68.868 0.048 0.000 0.864 52 T HN 0.052 nan 8.240 nan 0.000 0.455 53 S N 1.302 117.019 115.700 0.029 0.000 2.356 53 S HA -0.042 4.428 4.470 -0.000 0.000 0.223 53 S C 2.130 176.647 174.600 -0.138 0.000 1.032 53 S CA 1.197 59.356 58.200 -0.068 0.000 1.005 53 S CB -0.383 62.694 63.200 -0.206 0.000 0.867 53 S HN 0.432 nan 8.310 nan 0.000 0.449 54 M N 1.098 120.639 119.600 -0.099 0.000 2.086 54 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 54 M C 2.334 178.606 176.300 -0.046 0.000 1.067 54 M CA 1.471 56.721 55.300 -0.082 0.000 1.116 54 M CB -0.465 32.102 32.600 -0.053 0.000 1.348 54 M HN 0.215 nan 8.290 nan 0.000 0.407 55 K N 0.708 121.096 120.400 -0.021 0.000 2.074 55 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 55 K C 1.890 178.493 176.600 0.006 0.000 1.048 55 K CA 1.427 57.711 56.287 -0.005 0.000 0.926 55 K CB -0.227 32.276 32.500 0.004 0.000 0.713 55 K HN 0.147 nan 8.250 nan 0.000 0.444 56 L N 0.929 122.167 121.223 0.025 0.000 2.027 56 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 56 L C 1.891 178.784 176.870 0.039 0.000 1.074 56 L CA 1.442 56.322 54.840 0.067 0.000 0.745 56 L CB -0.666 41.497 42.059 0.174 0.000 0.898 56 L HN 0.173 nan 8.230 nan 0.000 0.433 57 L N -0.412 120.802 121.223 -0.015 0.000 1.990 57 L HA -0.241 4.099 4.340 -0.000 0.000 0.213 57 L C 2.907 179.764 176.870 -0.021 0.000 1.072 57 L CA 2.187 57.009 54.840 -0.030 0.000 0.755 57 L CB -1.438 40.566 42.059 -0.092 0.000 0.889 57 L HN 0.527 nan 8.230 nan 0.000 0.432 58 S N -1.191 114.494 115.700 -0.025 0.000 2.365 58 S HA -0.341 4.129 4.470 -0.000 0.000 0.225 58 S C 2.089 176.671 174.600 -0.030 0.000 1.039 58 S CA 1.910 60.096 58.200 -0.023 0.000 1.033 58 S CB -0.323 62.866 63.200 -0.018 0.000 0.887 58 S HN 0.545 nan 8.310 nan 0.000 0.447 59 Q N -0.133 119.653 119.800 -0.022 0.000 2.181 59 Q HA -0.035 4.305 4.340 -0.000 0.000 0.205 59 Q C 1.990 177.954 176.000 -0.061 0.000 0.980 59 Q CA 1.517 57.303 55.803 -0.029 0.000 0.862 59 Q CB -0.204 28.531 28.738 -0.005 0.000 0.905 59 Q HN 0.625 nan 8.270 nan 0.000 0.429 60 L N -1.729 119.458 121.223 -0.060 0.000 2.478 60 L HA 0.086 4.426 4.340 -0.000 0.000 0.223 60 L C 1.248 178.012 176.870 -0.178 0.000 1.140 60 L CA 0.641 55.406 54.840 -0.124 0.000 0.842 60 L CB 0.152 42.169 42.059 -0.069 0.000 0.953 60 L HN 0.530 nan 8.230 nan 0.000 0.452 61 G N -0.638 108.096 108.800 -0.110 0.000 2.175 61 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.182 61 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.182 61 G C 0.274 175.145 174.900 -0.049 0.000 1.003 61 G CA -0.172 44.869 45.100 -0.098 0.000 0.666 61 G HN 0.419 nan 8.290 nan 0.000 0.506 62 A N 0.092 122.895 122.820 -0.028 0.000 2.304 62 A HA 0.706 5.026 4.320 -0.000 0.000 0.271 62 A C 0.433 178.017 177.584 0.000 0.000 1.091 62 A CA 0.008 52.046 52.037 0.003 0.000 0.812 62 A CB 0.529 19.538 19.000 0.014 0.000 1.056 62 A HN 0.275 nan 8.150 nan 0.000 0.489 63 K N 0.884 121.292 120.400 0.014 0.000 2.253 63 K HA 0.513 4.833 4.320 -0.000 0.000 0.277 63 K C -1.387 175.227 176.600 0.024 0.000 1.053 63 K CA -0.176 56.120 56.287 0.014 0.000 0.892 63 K CB 1.176 33.686 32.500 0.017 0.000 1.102 63 K HN 0.435 nan 8.250 nan 0.000 0.469 64 V N 3.337 123.260 119.914 0.016 0.000 2.638 64 V HA 0.384 4.504 4.120 -0.000 0.000 0.306 64 V C -0.745 175.367 176.094 0.030 0.000 1.052 64 V CA -0.949 61.364 62.300 0.022 0.000 0.885 64 V CB 1.704 33.523 31.823 -0.006 0.000 0.999 64 V HN 0.866 nan 8.190 nan 0.000 0.424 65 E N 2.953 123.190 120.200 0.061 0.000 2.413 65 E HA 0.780 5.130 4.350 -0.000 0.000 0.277 65 E C -0.964 175.685 176.600 0.082 0.000 0.958 65 E CA -1.310 55.125 56.400 0.058 0.000 0.779 65 E CB 2.443 32.172 29.700 0.048 0.000 1.278 65 E HN 0.600 nan 8.360 nan 0.000 0.456 66 R N 1.133 121.667 120.500 0.056 0.000 2.514 66 R HA 0.311 4.651 4.340 -0.000 0.000 0.301 66 R C -0.581 175.749 176.300 0.050 0.000 0.962 66 R CA -0.289 55.834 56.100 0.039 0.000 0.882 66 R CB 1.103 31.412 30.300 0.015 0.000 1.143 66 R HN 0.793 nan 8.270 nan 0.000 0.452 67 D N 2.531 122.954 120.400 0.038 0.000 2.063 67 D HA 0.128 4.768 4.640 -0.000 0.000 0.289 67 D C 0.997 177.312 176.300 0.024 0.000 1.111 67 D CA 0.443 54.466 54.000 0.038 0.000 1.023 67 D CB -0.214 40.594 40.800 0.012 0.000 1.152 67 D HN 0.525 nan 8.370 nan 0.000 0.465 68 G N -1.649 107.154 108.800 0.004 0.000 2.744 68 G HA2 0.267 4.227 3.960 -0.000 0.000 0.211 68 G HA3 0.267 4.227 3.960 -0.000 0.000 0.211 68 G C 0.226 175.107 174.900 -0.033 0.000 1.146 68 G CA 0.142 45.237 45.100 -0.007 0.000 0.787 68 G HN 0.341 nan 8.290 nan 0.000 0.534 69 S N -1.764 113.902 115.700 -0.056 0.000 2.697 69 S HA 0.665 5.135 4.470 -0.000 0.000 0.289 69 S C -1.268 173.228 174.600 -0.172 0.000 1.149 69 S CA -0.464 57.657 58.200 -0.132 0.000 0.850 69 S CB 2.414 65.492 63.200 -0.204 0.000 1.151 69 S HN -0.033 nan 8.310 nan 0.000 0.491 70 V N 2.377 122.151 119.914 -0.234 0.000 2.540 70 V HA 0.463 4.583 4.120 -0.000 0.000 0.302 70 V C -1.067 174.868 176.094 -0.265 0.000 1.035 70 V CA -0.635 61.558 62.300 -0.179 0.000 0.873 70 V CB 1.590 33.345 31.823 -0.114 0.000 0.992 70 V HN 0.799 nan 8.190 nan 0.000 0.428 71 H N 5.126 124.196 119.070 -0.001 0.000 2.481 71 H HA 0.613 5.169 4.556 -0.000 0.000 0.333 71 H C -0.868 174.463 175.328 0.006 0.000 1.066 71 H CA -0.305 55.750 56.048 0.011 0.000 1.209 71 H CB 2.112 31.882 29.762 0.012 0.000 1.445 71 H HN 0.459 nan 8.280 nan 0.000 0.488 72 I N 2.736 123.379 120.570 0.122 0.000 2.466 72 I HA 0.064 4.234 4.170 -0.000 0.000 0.289 72 I C -0.374 175.795 176.117 0.088 0.000 1.026 72 I CA -0.569 60.776 61.300 0.076 0.000 1.078 72 I CB 2.132 40.156 38.000 0.040 0.000 1.249 72 I HN 0.419 nan 8.210 nan 0.000 0.429 73 D N 5.692 126.133 120.400 0.069 0.000 2.453 73 D HA 0.498 5.138 4.640 -0.000 0.000 0.238 73 D C -0.026 176.312 176.300 0.063 0.000 1.088 73 D CA -0.331 53.707 54.000 0.064 0.000 0.854 73 D CB 1.974 42.803 40.800 0.048 0.000 1.076 73 D HN 0.624 nan 8.370 nan 0.000 0.533 74 A N 4.357 127.226 122.820 0.081 0.000 2.610 74 A HA 0.155 4.475 4.320 -0.000 0.000 0.286 74 A C 1.558 179.226 177.584 0.140 0.000 1.306 74 A CA -0.330 51.771 52.037 0.107 0.000 0.942 74 A CB -0.072 19.002 19.000 0.122 0.000 1.112 74 A HN 0.519 nan 8.150 nan 0.000 0.527 75 R N -0.578 119.989 120.500 0.111 0.000 2.225 75 R HA 0.040 4.380 4.340 -0.000 0.000 0.194 75 R C -0.234 176.147 176.300 0.135 0.000 0.957 75 R CA 0.521 56.699 56.100 0.130 0.000 1.042 75 R CB 0.229 30.581 30.300 0.086 0.000 1.004 75 R HN 0.225 nan 8.270 nan 0.000 0.509 76 D N 0.843 121.295 120.400 0.085 0.000 2.323 76 D HA 0.042 4.682 4.640 -0.000 0.000 0.239 76 D C -0.392 175.917 176.300 0.015 0.000 1.129 76 D CA 0.218 54.250 54.000 0.052 0.000 0.865 76 D CB 0.418 41.231 40.800 0.020 0.000 0.913 76 D HN -0.057 nan 8.370 nan 0.000 0.517 77 V N 2.599 122.542 119.914 0.048 0.000 2.521 77 V HA 0.049 4.169 4.120 -0.000 0.000 0.286 77 V C 1.117 177.022 176.094 -0.314 0.000 1.034 77 V CA 0.233 62.462 62.300 -0.119 0.000 1.045 77 V CB 0.799 32.587 31.823 -0.059 0.000 0.974 77 V HN 0.329 nan 8.190 nan 0.000 0.480 78 N N 3.486 121.885 118.700 -0.502 0.000 2.036 78 N HA 0.064 4.804 4.740 -0.000 0.000 0.228 78 N C -0.509 174.385 175.510 -1.027 0.000 1.368 78 N CA -0.016 52.681 53.050 -0.590 0.000 0.846 78 N CB 0.887 39.239 38.487 -0.226 0.000 1.145 78 N HN 0.417 nan 8.380 nan 0.000 0.502 79 V N 0.726 120.006 119.914 -1.057 0.000 2.715 79 V HA 0.642 4.762 4.120 -0.000 0.000 0.310 79 V C -1.197 174.267 176.094 -1.050 0.000 1.054 79 V CA -0.763 60.957 62.300 -0.966 0.000 0.928 79 V CB 1.459 33.040 31.823 -0.403 0.000 1.007 79 V HN 0.031 nan 8.190 nan 0.000 0.437 80 F N 4.234 124.115 119.950 -0.115 0.000 2.835 80 F HA 0.480 5.007 4.527 -0.000 0.000 0.342 80 F C 0.158 175.943 175.800 -0.025 0.000 1.202 80 F CA -0.380 57.566 58.000 -0.091 0.000 1.240 80 F CB 0.655 39.596 39.000 -0.098 0.000 1.005 80 F HN 0.477 nan 8.300 nan 0.000 0.507 81 C N 1.804 121.142 119.300 0.064 0.000 2.396 81 C HA 0.868 5.328 4.460 -0.000 0.000 0.321 81 C C -0.002 175.045 174.990 0.094 0.000 1.233 81 C CA -0.439 58.622 59.018 0.071 0.000 1.440 81 C CB -0.078 27.653 27.740 -0.015 0.000 2.110 81 C HN 0.462 nan 8.230 nan 0.000 0.473 82 A N 8.741 131.654 122.820 0.154 0.000 2.294 82 A HA 0.686 5.006 4.320 -0.000 0.000 0.316 82 A C -2.424 175.304 177.584 0.241 0.000 1.359 82 A CA -1.070 51.062 52.037 0.158 0.000 0.956 82 A CB 0.102 19.181 19.000 0.130 0.000 1.155 82 A HN 0.799 nan 8.150 nan 0.000 0.544 83 P HA 0.013 nan 4.420 nan 0.000 0.274 83 P C 0.413 177.862 177.300 0.247 0.000 1.231 83 P CA -0.164 63.138 63.100 0.336 0.000 0.790 83 P CB 0.691 32.511 31.700 0.201 0.000 0.951 84 Y N 2.141 122.525 120.300 0.140 0.000 2.096 84 Y HA -0.312 4.238 4.550 -0.000 0.000 0.278 84 Y C 1.804 177.701 175.900 -0.005 0.000 1.192 84 Y CA 2.276 60.355 58.100 -0.034 0.000 1.143 84 Y CB -0.786 37.641 38.460 -0.056 0.000 0.963 84 Y HN 0.282 nan 8.280 nan 0.000 0.505 85 D N -0.082 120.392 120.400 0.124 0.000 2.384 85 D HA -0.132 4.508 4.640 -0.000 0.000 0.222 85 D C 1.810 178.076 176.300 -0.057 0.000 0.976 85 D CA 1.032 55.050 54.000 0.030 0.000 0.915 85 D CB -0.072 40.783 40.800 0.093 0.000 0.896 85 D HN 0.486 nan 8.370 nan 0.000 0.523 86 L N -0.991 120.199 121.223 -0.054 0.000 2.435 86 L HA -0.005 4.335 4.340 -0.000 0.000 0.195 86 L C 2.084 178.903 176.870 -0.086 0.000 1.072 86 L CA 0.192 55.008 54.840 -0.040 0.000 0.833 86 L CB 0.044 42.115 42.059 0.021 0.000 1.081 86 L HN -0.228 nan 8.230 nan 0.000 0.485 87 V N 1.351 121.200 119.914 -0.109 0.000 2.392 87 V HA -0.334 3.785 4.120 -0.000 0.000 0.249 87 V C 2.508 178.470 176.094 -0.221 0.000 1.059 87 V CA 2.268 64.480 62.300 -0.147 0.000 1.051 87 V CB -1.304 30.426 31.823 -0.155 0.000 0.658 87 V HN 0.605 nan 8.190 nan 0.000 0.455 88 K N 1.712 121.897 120.400 -0.358 0.000 2.211 88 K HA -0.226 4.094 4.320 -0.000 0.000 0.204 88 K C 1.845 178.325 176.600 -0.201 0.000 1.047 88 K CA 2.021 58.084 56.287 -0.373 0.000 0.935 88 K CB -0.687 31.444 32.500 -0.616 0.000 0.728 88 K HN 0.625 nan 8.250 nan 0.000 0.452 89 T N -2.237 112.228 114.554 -0.148 0.000 3.065 89 T HA 0.128 4.478 4.350 -0.000 0.000 0.252 89 T C 0.750 175.420 174.700 -0.050 0.000 1.099 89 T CA -0.134 61.918 62.100 -0.080 0.000 1.063 89 T CB 0.027 68.857 68.868 -0.063 0.000 0.948 89 T HN 0.296 nan 8.240 nan 0.000 0.506 90 M N 2.085 121.645 119.600 -0.067 0.000 2.380 90 M HA 0.308 4.788 4.480 -0.000 0.000 0.202 90 M C 0.580 176.821 176.300 -0.099 0.000 0.975 90 M CA -0.620 54.649 55.300 -0.052 0.000 0.971 90 M CB 1.179 33.782 32.600 0.005 0.000 2.685 90 M HN 0.156 nan 8.290 nan 0.000 0.431 91 R N 1.514 121.928 120.500 -0.143 0.000 2.293 91 R HA -0.012 4.328 4.340 -0.000 0.000 0.219 91 R C 1.022 177.147 176.300 -0.292 0.000 1.091 91 R CA 1.508 57.485 56.100 -0.204 0.000 1.004 91 R CB -0.440 29.739 30.300 -0.203 0.000 0.865 91 R HN 0.629 nan 8.270 nan 0.000 0.469 92 A N 1.222 123.876 122.820 -0.277 0.000 2.121 92 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 92 A C 2.069 179.396 177.584 -0.429 0.000 1.154 92 A CA 1.113 52.889 52.037 -0.434 0.000 0.679 92 A CB -0.307 18.547 19.000 -0.243 0.000 0.795 92 A HN 0.421 nan 8.150 nan 0.000 0.458 93 S N -0.090 115.455 115.700 -0.258 0.000 2.428 93 S HA -0.246 4.224 4.470 -0.000 0.000 0.240 93 S C 1.672 176.048 174.600 -0.373 0.000 1.036 93 S CA 1.558 59.596 58.200 -0.271 0.000 1.009 93 S CB -0.520 62.642 63.200 -0.064 0.000 0.803 93 S HN 0.630 nan 8.310 nan 0.000 0.486 94 I N 0.679 121.037 120.570 -0.353 0.000 2.502 94 I HA -0.140 4.030 4.170 -0.000 0.000 0.258 94 I C 1.484 177.477 176.117 -0.206 0.000 1.172 94 I CA 0.925 62.049 61.300 -0.293 0.000 1.430 94 I CB -0.349 37.403 38.000 -0.414 0.000 1.086 94 I HN 0.377 nan 8.210 nan 0.000 0.440 95 W N 0.567 121.583 121.300 -0.472 0.000 2.611 95 W HA 0.059 4.719 4.660 -0.000 0.000 0.251 95 W C 2.408 178.734 176.519 -0.323 0.000 1.265 95 W CA 0.808 57.905 57.345 -0.414 0.000 1.295 95 W CB -1.044 28.090 29.460 -0.544 0.000 1.129 95 W HN 0.306 nan 8.180 nan 0.000 0.630 96 A N -0.098 122.637 122.820 -0.141 0.000 1.930 96 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 96 A C 1.971 179.655 177.584 0.166 0.000 1.175 96 A CA 1.307 53.426 52.037 0.136 0.000 0.627 96 A CB -0.819 18.291 19.000 0.183 0.000 0.815 96 A HN 0.143 nan 8.150 nan 0.000 0.443 97 L N 0.317 121.612 121.223 0.119 0.000 1.978 97 L HA -0.154 4.186 4.340 -0.000 0.000 0.218 97 L C 2.456 179.417 176.870 0.151 0.000 1.075 97 L CA 2.588 57.506 54.840 0.131 0.000 0.767 97 L CB -1.259 40.860 42.059 0.100 0.000 0.890 97 L HN 0.332 nan 8.230 nan 0.000 0.434 98 G N -0.833 108.064 108.800 0.162 0.000 2.514 98 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 98 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 98 G C -0.611 174.372 174.900 0.139 0.000 1.198 98 G CA 1.071 46.258 45.100 0.145 0.000 0.780 98 G HN 0.410 nan 8.290 nan 0.000 0.565 99 P HA -0.039 nan 4.420 nan 0.000 0.215 99 P C 2.181 179.617 177.300 0.226 0.000 1.157 99 P CA 0.697 63.901 63.100 0.172 0.000 0.868 99 P CB -0.152 31.673 31.700 0.208 0.000 0.788 100 L N -1.057 120.333 121.223 0.278 0.000 2.013 100 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 100 L C 2.329 179.364 176.870 0.276 0.000 1.073 100 L CA 1.643 56.704 54.840 0.368 0.000 0.753 100 L CB -1.212 41.031 42.059 0.306 0.000 0.890 100 L HN -0.103 nan 8.230 nan 0.000 0.432 101 V N -0.198 119.813 119.914 0.163 0.000 2.427 101 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 101 V C 2.717 178.849 176.094 0.062 0.000 1.051 101 V CA 1.575 63.931 62.300 0.092 0.000 1.048 101 V CB -0.832 31.035 31.823 0.073 0.000 0.666 101 V HN 0.465 nan 8.190 nan 0.000 0.456 102 A N 0.068 122.928 122.820 0.065 0.000 1.902 102 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 102 A C 2.430 179.993 177.584 -0.035 0.000 1.181 102 A CA 2.220 54.269 52.037 0.020 0.000 0.623 102 A CB -0.415 18.601 19.000 0.027 0.000 0.818 102 A HN 0.500 nan 8.150 nan 0.000 0.443 103 R N -2.494 117.973 120.500 -0.055 0.000 2.146 103 R HA 0.158 4.498 4.340 -0.000 0.000 0.206 103 R C 0.856 176.869 176.300 -0.478 0.000 1.049 103 R CA 0.831 56.751 56.100 -0.301 0.000 1.029 103 R CB 0.012 30.048 30.300 -0.439 0.000 0.949 103 R HN 0.460 nan 8.270 nan 0.000 0.471 104 F N -0.812 119.118 119.950 -0.034 0.000 2.682 104 F HA 0.401 4.928 4.527 -0.000 0.000 0.308 104 F C 1.343 177.017 175.800 -0.211 0.000 1.093 104 F CA 0.378 58.293 58.000 -0.141 0.000 1.244 104 F CB 1.404 40.241 39.000 -0.272 0.000 1.052 104 F HN 0.281 nan 8.300 nan 0.000 0.573 105 G N 0.988 109.788 108.800 0.000 0.000 2.184 105 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.264 105 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.264 105 G C 0.107 174.975 174.900 -0.053 0.000 0.975 105 G CA 0.526 45.607 45.100 -0.032 0.000 0.642 105 G HN 0.512 nan 8.290 nan 0.000 0.536 106 Q N -1.526 118.218 119.800 -0.093 0.000 2.511 106 Q HA 0.716 5.056 4.340 -0.000 0.000 0.289 106 Q C -0.382 175.598 176.000 -0.033 0.000 1.021 106 Q CA -0.708 55.035 55.803 -0.100 0.000 0.785 106 Q CB 2.106 30.727 28.738 -0.194 0.000 1.472 106 Q HN 1.534 nan 8.270 nan 0.000 0.411 107 G N 0.855 109.676 108.800 0.035 0.000 2.658 107 G HA2 0.451 4.411 3.960 -0.000 0.000 0.301 107 G HA3 0.451 4.411 3.960 -0.000 0.000 0.301 107 G C -2.054 172.911 174.900 0.109 0.000 1.481 107 G CA -0.626 44.541 45.100 0.113 0.000 0.931 107 G HN 0.367 nan 8.290 nan 0.000 0.573 108 Q N 0.219 120.099 119.800 0.132 0.000 2.320 108 Q HA 0.637 4.977 4.340 -0.000 0.000 0.268 108 Q C -0.523 175.602 176.000 0.208 0.000 1.023 108 Q CA -0.620 55.266 55.803 0.139 0.000 0.744 108 Q CB 2.778 31.546 28.738 0.049 0.000 1.246 108 Q HN 0.494 nan 8.270 nan 0.000 0.462 109 V N 1.161 121.210 119.914 0.225 0.000 2.540 109 V HA 0.492 4.612 4.120 -0.000 0.000 0.302 109 V C -0.090 176.104 176.094 0.166 0.000 1.035 109 V CA -0.924 61.496 62.300 0.200 0.000 0.873 109 V CB 2.173 34.042 31.823 0.078 0.000 0.992 109 V HN 0.776 nan 8.190 nan 0.000 0.428 110 S N 4.802 120.534 115.700 0.053 0.000 2.546 110 S HA 0.154 4.624 4.470 -0.000 0.000 0.290 110 S C -0.108 174.388 174.600 -0.174 0.000 1.290 110 S CA -0.394 57.618 58.200 -0.313 0.000 1.069 110 S CB 0.058 63.057 63.200 -0.336 0.000 0.846 110 S HN 0.600 nan 8.310 nan 0.000 0.495 111 L N 7.405 128.528 121.223 -0.166 0.000 2.418 111 L HA 0.351 4.691 4.340 -0.000 0.000 0.274 111 L C -2.088 174.715 176.870 -0.111 0.000 1.135 111 L CA -1.389 53.384 54.840 -0.111 0.000 0.870 111 L CB 0.278 42.292 42.059 -0.074 0.000 1.154 111 L HN 0.548 nan 8.230 nan 0.000 0.462 112 P HA 0.152 nan 4.420 nan 0.000 0.268 112 P C 0.241 177.488 177.300 -0.090 0.000 1.204 112 P CA -0.124 62.897 63.100 -0.133 0.000 0.768 112 P CB 0.735 32.337 31.700 -0.163 0.000 0.842 113 G N 2.069 110.824 108.800 -0.074 0.000 2.735 113 G HA2 0.452 4.412 3.960 -0.000 0.000 0.192 113 G HA3 0.452 4.412 3.960 -0.000 0.000 0.192 113 G C 0.126 174.997 174.900 -0.048 0.000 1.547 113 G CA -0.316 44.761 45.100 -0.039 0.000 1.080 113 G HN 0.617 nan 8.290 nan 0.000 0.569 114 G N -1.980 106.800 108.800 -0.033 0.000 2.444 114 G HA2 0.432 4.392 3.960 -0.000 0.000 0.268 114 G HA3 0.432 4.392 3.960 -0.000 0.000 0.268 114 G C -0.778 174.094 174.900 -0.048 0.000 1.203 114 G CA -0.030 45.050 45.100 -0.034 0.000 0.835 114 G HN 0.728 nan 8.290 nan 0.000 0.543 115 C N 1.391 120.655 119.300 -0.059 0.000 2.712 115 C HA 0.635 5.095 4.460 -0.000 0.000 0.308 115 C C 1.929 176.870 174.990 -0.083 0.000 1.201 115 C CA 0.174 59.142 59.018 -0.083 0.000 1.554 115 C CB 1.018 28.683 27.740 -0.125 0.000 2.117 115 C HN 0.988 nan 8.230 nan 0.000 0.480 116 T N 1.357 115.858 114.554 -0.088 0.000 2.962 116 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 116 T C 1.380 176.024 174.700 -0.094 0.000 1.088 116 T CA 1.731 63.785 62.100 -0.077 0.000 1.127 116 T CB -0.380 68.442 68.868 -0.077 0.000 0.883 116 T HN 0.866 nan 8.240 nan 0.000 0.493 117 I N -1.596 118.880 120.570 -0.156 0.000 3.578 117 I HA 0.555 4.725 4.170 -0.000 0.000 0.295 117 I C 0.936 176.987 176.117 -0.109 0.000 1.280 117 I CA 0.040 61.228 61.300 -0.186 0.000 1.347 117 I CB -0.382 37.395 38.000 -0.372 0.000 1.051 117 I HN 0.438 nan 8.210 nan 0.000 0.460 118 G N 1.126 109.886 108.800 -0.067 0.000 2.357 118 G HA2 0.328 4.288 3.960 -0.000 0.000 0.289 118 G HA3 0.328 4.288 3.960 -0.000 0.000 0.289 118 G C -1.076 173.844 174.900 0.034 0.000 1.302 118 G CA -0.430 44.684 45.100 0.022 0.000 0.936 118 G HN 0.495 nan 8.290 nan 0.000 0.513 119 A N 0.000 122.863 122.820 0.070 0.000 2.492 119 A HA 0.639 4.959 4.320 -0.000 0.000 0.254 119 A C 0.753 178.390 177.584 0.087 0.000 1.091 119 A CA 0.361 52.433 52.037 0.058 0.000 0.768 119 A CB 0.029 19.060 19.000 0.051 0.000 1.028 119 A HN 0.630 nan 8.150 nan 0.000 0.498 120 R N 3.126 123.654 120.500 0.046 0.000 2.674 120 R HA 0.220 4.560 4.340 -0.000 0.000 0.270 120 R C -2.699 173.607 176.300 0.011 0.000 1.492 120 R CA -1.070 55.063 56.100 0.055 0.000 1.624 120 R CB 0.770 31.082 30.300 0.020 0.000 1.307 120 R HN 0.656 nan 8.270 nan 0.000 0.683 121 P HA 0.070 nan 4.420 nan 0.000 0.272 121 P C 0.702 178.008 177.300 0.011 0.000 1.230 121 P CA -0.161 62.941 63.100 0.004 0.000 0.788 121 P CB 1.206 32.916 31.700 0.017 0.000 0.949 122 V N -2.440 117.469 119.914 -0.008 0.000 3.085 122 V HA 0.085 4.205 4.120 -0.000 0.000 0.345 122 V C 1.301 177.457 176.094 0.104 0.000 1.397 122 V CA 0.082 62.393 62.300 0.018 0.000 1.165 122 V CB -0.537 31.148 31.823 -0.231 0.000 1.153 122 V HN 0.516 nan 8.190 nan 0.000 0.495 123 D N 1.411 121.854 120.400 0.072 0.000 2.172 123 D HA -0.280 4.360 4.640 -0.000 0.000 0.196 123 D C 1.760 178.107 176.300 0.079 0.000 0.999 123 D CA 1.727 55.764 54.000 0.061 0.000 0.856 123 D CB -0.085 40.737 40.800 0.037 0.000 0.934 123 D HN 0.545 nan 8.370 nan 0.000 0.453 124 L N -0.088 121.193 121.223 0.096 0.000 2.156 124 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 124 L C 2.819 179.713 176.870 0.040 0.000 1.095 124 L CA 0.868 55.735 54.840 0.045 0.000 0.770 124 L CB -0.568 41.492 42.059 0.001 0.000 0.914 124 L HN 0.127 nan 8.230 nan 0.000 0.439 125 H N 0.020 119.099 119.070 0.014 0.000 2.270 125 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 125 H C 2.449 177.793 175.328 0.027 0.000 1.077 125 H CA 1.793 57.858 56.048 0.028 0.000 1.294 125 H CB -0.005 29.767 29.762 0.017 0.000 1.371 125 H HN 0.286 nan 8.280 nan 0.000 0.491 126 I N 0.444 121.113 120.570 0.165 0.000 2.091 126 I HA -0.318 3.852 4.170 -0.000 0.000 0.239 126 I C 2.945 179.101 176.117 0.065 0.000 1.061 126 I CA 1.463 62.818 61.300 0.092 0.000 1.317 126 I CB -0.365 37.673 38.000 0.063 0.000 1.031 126 I HN 0.182 nan 8.210 nan 0.000 0.401 127 S N 0.798 116.529 115.700 0.052 0.000 2.383 127 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 127 S C 2.103 176.717 174.600 0.023 0.000 1.030 127 S CA 1.717 59.935 58.200 0.030 0.000 1.002 127 S CB -0.771 62.441 63.200 0.020 0.000 0.829 127 S HN 0.573 nan 8.310 nan 0.000 0.467 128 G N 1.337 110.152 108.800 0.023 0.000 2.418 128 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.217 128 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.217 128 G C 1.467 176.382 174.900 0.025 0.000 1.158 128 G CA 0.868 45.975 45.100 0.012 0.000 0.771 128 G HN 0.522 nan 8.290 nan 0.000 0.545 129 L N -0.072 121.177 121.223 0.043 0.000 2.056 129 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 129 L C 2.890 179.782 176.870 0.035 0.000 1.078 129 L CA 1.080 55.948 54.840 0.047 0.000 0.749 129 L CB -0.379 41.719 42.059 0.065 0.000 0.901 129 L HN 0.298 nan 8.230 nan 0.000 0.433 130 E N -0.317 119.902 120.200 0.033 0.000 2.110 130 E HA -0.284 4.066 4.350 -0.000 0.000 0.193 130 E C 2.148 178.760 176.600 0.020 0.000 0.988 130 E CA 0.977 57.392 56.400 0.025 0.000 0.804 130 E CB -0.011 29.703 29.700 0.024 0.000 0.745 130 E HN 0.454 nan 8.360 nan 0.000 0.458 131 Q N 0.166 119.977 119.800 0.018 0.000 2.291 131 Q HA -0.038 4.302 4.340 -0.000 0.000 0.205 131 Q C 1.596 177.605 176.000 0.016 0.000 0.970 131 Q CA 0.553 56.364 55.803 0.013 0.000 0.876 131 Q CB 0.221 28.963 28.738 0.006 0.000 0.935 131 Q HN 0.268 nan 8.270 nan 0.000 0.455 132 L N -1.102 120.132 121.223 0.019 0.000 2.627 132 L HA 0.160 4.500 4.340 -0.000 0.000 0.232 132 L C 0.925 177.805 176.870 0.017 0.000 1.150 132 L CA 0.512 55.363 54.840 0.019 0.000 0.917 132 L CB 0.177 42.249 42.059 0.021 0.000 1.104 132 L HN 0.472 nan 8.230 nan 0.000 0.445 133 G N -0.382 108.428 108.800 0.016 0.000 2.176 133 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.232 133 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.232 133 G C 0.408 175.317 174.900 0.015 0.000 0.986 133 G CA -0.047 45.061 45.100 0.014 0.000 0.643 133 G HN 0.465 nan 8.290 nan 0.000 0.522 134 A N 0.141 122.972 122.820 0.020 0.000 2.351 134 A HA 0.699 5.019 4.320 -0.000 0.000 0.257 134 A C 0.578 178.175 177.584 0.021 0.000 1.087 134 A CA 1.093 53.144 52.037 0.022 0.000 0.798 134 A CB 0.481 19.500 19.000 0.031 0.000 1.033 134 A HN 0.734 nan 8.150 nan 0.000 0.488 135 T N 2.401 116.967 114.554 0.020 0.000 2.794 135 T HA 0.571 4.921 4.350 -0.000 0.000 0.280 135 T C -0.309 174.407 174.700 0.025 0.000 0.987 135 T CA 0.125 62.237 62.100 0.020 0.000 0.993 135 T CB 0.289 69.166 68.868 0.015 0.000 0.939 135 T HN 0.416 nan 8.240 nan 0.000 0.449 136 I N 3.957 124.544 120.570 0.028 0.000 2.466 136 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 136 I C -0.202 175.935 176.117 0.032 0.000 1.026 136 I CA -1.008 60.313 61.300 0.034 0.000 1.078 136 I CB 1.999 40.022 38.000 0.039 0.000 1.249 136 I HN 0.593 nan 8.210 nan 0.000 0.429 137 K N 5.575 125.997 120.400 0.037 0.000 2.444 137 K HA 0.768 5.088 4.320 -0.000 0.000 0.252 137 K C -1.729 174.900 176.600 0.048 0.000 0.993 137 K CA -0.965 55.344 56.287 0.036 0.000 0.847 137 K CB 2.744 35.262 32.500 0.031 0.000 1.340 137 K HN 0.377 nan 8.250 nan 0.000 0.446 138 L N 1.954 123.203 121.223 0.044 0.000 2.316 138 L HA 0.385 4.725 4.340 -0.000 0.000 0.280 138 L C -1.437 175.468 176.870 0.058 0.000 1.006 138 L CA 0.157 55.029 54.840 0.054 0.000 0.836 138 L CB 0.999 43.079 42.059 0.035 0.000 1.221 138 L HN 0.850 nan 8.230 nan 0.000 0.418 139 E N 2.853 123.105 120.200 0.087 0.000 2.293 139 E HA 0.435 4.785 4.350 -0.000 0.000 0.270 139 E C -0.712 175.970 176.600 0.137 0.000 0.879 139 E CA -0.747 55.703 56.400 0.083 0.000 0.756 139 E CB 1.289 31.026 29.700 0.060 0.000 1.208 139 E HN 0.581 nan 8.360 nan 0.000 0.428 140 E N 0.931 121.193 120.200 0.103 0.000 2.722 140 E HA -0.312 4.038 4.350 -0.000 0.000 0.265 140 E C 0.709 177.390 176.600 0.134 0.000 1.081 140 E CA 0.662 57.140 56.400 0.129 0.000 0.781 140 E CB -1.667 28.141 29.700 0.179 0.000 1.372 140 E HN 1.155 nan 8.360 nan 0.000 0.423 141 G N -1.211 107.617 108.800 0.046 0.000 2.176 141 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.253 141 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.253 141 G C -0.175 174.626 174.900 -0.165 0.000 0.979 141 G CA 0.501 45.554 45.100 -0.080 0.000 0.641 141 G HN 0.327 nan 8.290 nan 0.000 0.530 142 Y N -0.386 119.930 120.300 0.027 0.000 2.330 142 Y HA 0.512 5.061 4.550 -0.000 0.000 0.336 142 Y C 0.683 176.597 175.900 0.024 0.000 1.036 142 Y CA -0.429 57.690 58.100 0.032 0.000 1.125 142 Y CB 2.075 40.556 38.460 0.036 0.000 1.194 142 Y HN 0.344 nan 8.280 nan 0.000 0.469 143 V N 5.146 125.146 119.914 0.143 0.000 2.405 143 V HA 0.305 4.424 4.120 -0.000 0.000 0.264 143 V C -0.649 175.517 176.094 0.120 0.000 1.048 143 V CA -0.526 61.834 62.300 0.099 0.000 0.966 143 V CB -0.062 31.791 31.823 0.050 0.000 1.015 143 V HN 0.703 nan 8.190 nan 0.000 0.477 144 K N 6.405 126.864 120.400 0.099 0.000 2.293 144 K HA 0.745 5.065 4.320 -0.000 0.000 0.267 144 K C -0.229 176.406 176.600 0.058 0.000 1.010 144 K CA -0.214 56.122 56.287 0.081 0.000 0.875 144 K CB 1.883 34.422 32.500 0.065 0.000 1.106 144 K HN 0.881 nan 8.250 nan 0.000 0.450 145 A N 1.972 124.826 122.820 0.057 0.000 2.325 145 A HA 0.731 5.051 4.320 -0.000 0.000 0.333 145 A C -0.515 177.086 177.584 0.028 0.000 1.155 145 A CA -0.586 51.478 52.037 0.045 0.000 0.814 145 A CB 1.044 20.078 19.000 0.056 0.000 1.206 145 A HN 0.696 nan 8.150 nan 0.000 0.482 146 S N -0.304 115.407 115.700 0.019 0.000 2.547 146 S HA 0.699 5.169 4.470 -0.000 0.000 0.270 146 S C -1.344 173.259 174.600 0.004 0.000 1.150 146 S CA -0.559 57.643 58.200 0.003 0.000 0.850 146 S CB 1.224 64.422 63.200 -0.003 0.000 1.118 146 S HN 2.026 nan 8.310 nan 0.000 0.461 147 V N 1.137 121.048 119.914 -0.004 0.000 2.777 147 V HA 0.526 4.646 4.120 -0.000 0.000 0.306 147 V C -1.714 174.374 176.094 -0.010 0.000 1.112 147 V CA -0.549 61.749 62.300 -0.003 0.000 0.917 147 V CB 1.973 33.796 31.823 0.001 0.000 1.018 147 V HN 1.100 nan 8.190 nan 0.000 0.426 148 D N 4.898 125.294 120.400 -0.007 0.000 2.359 148 D HA 0.564 5.204 4.640 -0.000 0.000 0.250 148 D C 0.683 176.976 176.300 -0.010 0.000 1.264 148 D CA 2.176 56.170 54.000 -0.009 0.000 0.911 148 D CB 0.603 41.400 40.800 -0.005 0.000 1.056 148 D HN 1.316 nan 8.370 nan 0.000 0.499 149 G N 4.212 113.003 108.800 -0.015 0.000 2.496 149 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.243 149 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.243 149 G C -0.337 174.550 174.900 -0.021 0.000 1.176 149 G CA -0.050 45.040 45.100 -0.018 0.000 0.940 149 G HN 0.730 nan 8.290 nan 0.000 0.573 150 R N -0.315 120.173 120.500 -0.020 0.000 2.902 150 R HA 0.805 5.144 4.340 -0.000 0.000 0.258 150 R C 0.114 176.408 176.300 -0.011 0.000 1.071 150 R CA -1.068 55.020 56.100 -0.020 0.000 1.024 150 R CB 1.198 31.481 30.300 -0.028 0.000 1.184 150 R HN 0.510 nan 8.270 nan 0.000 0.492 151 L N 0.878 122.097 121.223 -0.007 0.000 2.472 151 L HA 0.266 4.606 4.340 -0.000 0.000 0.260 151 L C 0.336 177.206 176.870 -0.000 0.000 1.209 151 L CA -0.085 54.755 54.840 0.001 0.000 0.817 151 L CB 0.231 42.295 42.059 0.007 0.000 1.106 151 L HN 0.435 nan 8.230 nan 0.000 0.479 152 K N 0.713 121.116 120.400 0.004 0.000 2.323 152 K HA 0.350 4.670 4.320 -0.000 0.000 0.259 152 K C -0.110 176.496 176.600 0.010 0.000 0.947 152 K CA -0.642 55.648 56.287 0.005 0.000 0.819 152 K CB 1.789 34.292 32.500 0.006 0.000 1.109 152 K HN 0.759 nan 8.250 nan 0.000 0.429 153 G N 1.457 110.262 108.800 0.009 0.000 2.349 153 G HA2 0.282 4.242 3.960 -0.000 0.000 0.232 153 G HA3 0.282 4.242 3.960 -0.000 0.000 0.232 153 G C -0.470 174.445 174.900 0.025 0.000 1.240 153 G CA -0.012 45.097 45.100 0.015 0.000 0.870 153 G HN 0.638 nan 8.290 nan 0.000 0.528 154 A N 1.547 124.391 122.820 0.039 0.000 2.609 154 A HA 0.652 4.972 4.320 -0.000 0.000 0.291 154 A C -0.766 176.885 177.584 0.112 0.000 1.096 154 A CA -0.709 51.365 52.037 0.061 0.000 0.684 154 A CB 1.135 20.161 19.000 0.044 0.000 1.282 154 A HN 0.923 nan 8.150 nan 0.000 0.412 155 H N 1.259 120.329 119.070 -0.001 0.000 2.761 155 H HA 0.543 5.099 4.556 -0.000 0.000 0.284 155 H C -1.084 174.244 175.328 -0.001 0.000 1.105 155 H CA -0.175 55.873 56.048 -0.001 0.000 1.352 155 H CB 0.158 29.920 29.762 -0.001 0.000 1.423 155 H HN 0.442 nan 8.280 nan 0.000 0.464 156 I N 6.485 126.980 120.570 -0.124 0.000 2.355 156 I HA 0.128 4.298 4.170 -0.000 0.000 0.288 156 I C -0.380 175.609 176.117 -0.213 0.000 0.999 156 I CA -0.908 60.308 61.300 -0.140 0.000 1.163 156 I CB 1.820 39.788 38.000 -0.053 0.000 1.316 156 I HN 0.271 nan 8.210 nan 0.000 0.454 157 V N 6.918 126.696 119.914 -0.226 0.000 2.350 157 V HA 0.325 4.445 4.120 -0.000 0.000 0.276 157 V C 0.524 176.560 176.094 -0.097 0.000 1.028 157 V CA -0.514 61.679 62.300 -0.179 0.000 0.860 157 V CB 1.220 32.931 31.823 -0.186 0.000 0.990 157 V HN 0.643 nan 8.190 nan 0.000 0.453 158 M N 3.046 122.603 119.600 -0.072 0.000 2.188 158 M HA 0.198 4.678 4.480 -0.000 0.000 0.354 158 M C 1.129 177.406 176.300 -0.039 0.000 1.342 158 M CA -0.119 55.151 55.300 -0.050 0.000 1.117 158 M CB 0.583 33.157 32.600 -0.043 0.000 1.670 158 M HN 0.620 nan 8.290 nan 0.000 0.466 159 D N 3.178 123.559 120.400 -0.032 0.000 2.116 159 D HA -0.117 4.523 4.640 -0.000 0.000 0.193 159 D C 0.333 176.620 176.300 -0.021 0.000 0.998 159 D CA 1.597 55.583 54.000 -0.023 0.000 0.836 159 D CB 0.511 41.302 40.800 -0.016 0.000 0.951 159 D HN 0.629 nan 8.370 nan 0.000 0.449 160 K N -1.060 119.327 120.400 -0.022 0.000 2.439 160 K HA 0.493 4.813 4.320 -0.000 0.000 0.260 160 K C -0.797 175.788 176.600 -0.025 0.000 1.032 160 K CA -0.892 55.382 56.287 -0.023 0.000 0.882 160 K CB 1.983 34.469 32.500 -0.022 0.000 1.420 160 K HN -0.332 nan 8.250 nan 0.000 0.455 161 V N 1.502 121.400 119.914 -0.026 0.000 2.470 161 V HA 0.193 4.313 4.120 -0.000 0.000 0.276 161 V C -0.288 175.789 176.094 -0.028 0.000 1.040 161 V CA 0.073 62.358 62.300 -0.023 0.000 1.008 161 V CB 0.763 32.574 31.823 -0.020 0.000 0.990 161 V HN 0.794 nan 8.190 nan 0.000 0.477 162 S N 4.222 119.910 115.700 -0.020 0.000 2.736 162 S HA 0.362 4.832 4.470 -0.000 0.000 0.285 162 S C 0.458 175.067 174.600 0.016 0.000 1.163 162 S CA -0.608 57.585 58.200 -0.011 0.000 1.025 162 S CB 1.832 65.018 63.200 -0.024 0.000 1.030 162 S HN 0.307 nan 8.310 nan 0.000 0.486 163 V N 5.375 125.322 119.914 0.054 0.000 2.287 163 V HA -0.048 4.072 4.120 -0.000 0.000 0.248 163 V C 2.710 178.926 176.094 0.203 0.000 1.053 163 V CA 2.667 65.038 62.300 0.118 0.000 1.027 163 V CB -1.263 30.648 31.823 0.146 0.000 0.646 163 V HN 0.954 nan 8.190 nan 0.000 0.447 164 G N -0.502 108.416 108.800 0.198 0.000 2.459 164 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 164 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 164 G C 1.770 176.706 174.900 0.059 0.000 1.183 164 G CA 1.141 46.422 45.100 0.301 0.000 0.776 164 G HN 0.623 nan 8.290 nan 0.000 0.552 165 A N -0.017 122.525 122.820 -0.464 0.000 1.898 165 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 165 A C 2.516 179.985 177.584 -0.192 0.000 1.181 165 A CA 2.395 54.018 52.037 -0.689 0.000 0.620 165 A CB -0.949 17.754 19.000 -0.496 0.000 0.819 165 A HN 0.298 nan 8.150 nan 0.000 0.442 166 T N -0.320 114.193 114.554 -0.069 0.000 2.720 166 T HA -0.143 4.206 4.350 -0.000 0.000 0.268 166 T C 1.869 176.576 174.700 0.012 0.000 1.037 166 T CA 1.697 63.788 62.100 -0.016 0.000 1.144 166 T CB -0.408 68.464 68.868 0.007 0.000 0.864 166 T HN 0.150 nan 8.240 nan 0.000 0.444 167 V N 1.180 121.138 119.914 0.074 0.000 2.307 167 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 167 V C 2.785 178.893 176.094 0.023 0.000 1.045 167 V CA 2.000 64.309 62.300 0.015 0.000 1.024 167 V CB -1.034 30.752 31.823 -0.061 0.000 0.651 167 V HN 0.524 nan 8.190 nan 0.000 0.449 168 T N 0.323 114.975 114.554 0.165 0.000 2.652 168 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 168 T C 1.771 176.517 174.700 0.076 0.000 1.039 168 T CA 2.089 64.299 62.100 0.183 0.000 1.153 168 T CB -0.290 68.744 68.868 0.277 0.000 0.863 168 T HN 0.355 nan 8.240 nan 0.000 0.428 169 I N 0.533 121.120 120.570 0.027 0.000 2.202 169 I HA -0.140 4.030 4.170 -0.000 0.000 0.242 169 I C 2.575 178.699 176.117 0.011 0.000 1.091 169 I CA 1.152 62.462 61.300 0.016 0.000 1.368 169 I CB -0.378 37.619 38.000 -0.006 0.000 1.058 169 I HN 0.248 nan 8.210 nan 0.000 0.410 170 M N 0.212 119.812 119.600 -0.000 0.000 2.080 170 M HA -0.289 4.191 4.480 -0.000 0.000 0.260 170 M C 2.512 178.806 176.300 -0.010 0.000 1.068 170 M CA 2.087 57.382 55.300 -0.008 0.000 1.109 170 M CB -0.235 32.353 32.600 -0.019 0.000 1.342 170 M HN 0.369 nan 8.290 nan 0.000 0.405 171 C N 0.364 119.657 119.300 -0.012 0.000 2.429 171 C HA -0.055 4.405 4.460 -0.000 0.000 0.277 171 C C 3.000 177.999 174.990 0.014 0.000 1.262 171 C CA 1.011 60.027 59.018 -0.004 0.000 1.733 171 C CB -1.556 26.178 27.740 -0.010 0.000 2.010 171 C HN 0.752 nan 8.230 nan 0.000 0.483 172 A N 0.407 123.245 122.820 0.029 0.000 1.972 172 A HA 0.094 4.414 4.320 -0.000 0.000 0.219 172 A C 2.308 179.902 177.584 0.016 0.000 1.169 172 A CA 1.900 53.958 52.037 0.034 0.000 0.635 172 A CB -0.724 18.305 19.000 0.049 0.000 0.810 172 A HN 0.584 nan 8.150 nan 0.000 0.446 173 A N -0.147 122.679 122.820 0.010 0.000 2.067 173 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 173 A C 2.295 179.875 177.584 -0.007 0.000 1.158 173 A CA 2.096 54.135 52.037 0.003 0.000 0.661 173 A CB -1.302 17.701 19.000 0.005 0.000 0.801 173 A HN 0.790 nan 8.150 nan 0.000 0.452 174 T N -2.174 112.373 114.554 -0.012 0.000 2.977 174 T HA 0.017 4.367 4.350 -0.000 0.000 0.271 174 T C 1.016 175.698 174.700 -0.029 0.000 1.105 174 T CA 1.303 63.388 62.100 -0.024 0.000 1.116 174 T CB -0.356 68.491 68.868 -0.035 0.000 0.878 174 T HN 0.313 nan 8.240 nan 0.000 0.509 175 L N 0.517 121.726 121.223 -0.024 0.000 3.110 175 L HA 0.609 4.949 4.340 -0.000 0.000 0.266 175 L C 0.873 177.727 176.870 -0.026 0.000 1.257 175 L CA -0.669 54.151 54.840 -0.033 0.000 1.038 175 L CB -0.026 42.006 42.059 -0.044 0.000 1.395 175 L HN 0.278 nan 8.230 nan 0.000 0.566 176 A N -0.172 122.637 122.820 -0.017 0.000 2.269 176 A HA 0.503 4.823 4.320 -0.000 0.000 0.327 176 A C -0.125 177.451 177.584 -0.013 0.000 1.112 176 A CA -0.422 51.608 52.037 -0.012 0.000 0.865 176 A CB 0.654 19.652 19.000 -0.003 0.000 1.227 176 A HN 0.259 nan 8.150 nan 0.000 0.498 177 E N 0.129 120.322 120.200 -0.010 0.000 2.070 177 E HA 0.444 4.794 4.350 -0.000 0.000 0.282 177 E C 0.632 177.228 176.600 -0.007 0.000 1.104 177 E CA 0.947 57.341 56.400 -0.010 0.000 0.876 177 E CB 0.453 30.147 29.700 -0.009 0.000 1.055 177 E HN 1.242 nan 8.360 nan 0.000 0.401 178 G N 2.795 111.590 108.800 -0.009 0.000 2.512 178 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.210 178 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.210 178 G C -0.393 174.504 174.900 -0.005 0.000 1.295 178 G CA -0.713 44.383 45.100 -0.007 0.000 0.934 178 G HN 0.438 nan 8.290 nan 0.000 0.554 179 T N 1.402 115.955 114.554 -0.003 0.000 2.771 179 T HA 0.659 5.009 4.350 -0.000 0.000 0.281 179 T C 0.101 174.809 174.700 0.013 0.000 0.982 179 T CA 0.327 62.427 62.100 -0.000 0.000 0.978 179 T CB 1.404 70.268 68.868 -0.007 0.000 0.930 179 T HN 0.732 nan 8.240 nan 0.000 0.447 180 T N 4.058 118.623 114.554 0.018 0.000 2.829 180 T HA 0.607 4.957 4.350 -0.000 0.000 0.282 180 T C -0.096 174.635 174.700 0.052 0.000 0.990 180 T CA -0.482 61.640 62.100 0.036 0.000 1.028 180 T CB 0.532 69.415 68.868 0.026 0.000 0.951 180 T HN 0.410 nan 8.240 nan 0.000 0.460 181 I N 3.624 124.256 120.570 0.103 0.000 2.410 181 I HA 0.420 4.590 4.170 -0.000 0.000 0.286 181 I C -0.483 175.708 176.117 0.124 0.000 1.009 181 I CA -0.733 60.653 61.300 0.142 0.000 1.111 181 I CB 1.578 39.716 38.000 0.230 0.000 1.262 181 I HN 0.465 nan 8.210 nan 0.000 0.443 182 I N 6.105 126.711 120.570 0.059 0.000 2.297 182 I HA 0.256 4.425 4.170 -0.000 0.000 0.291 182 I C 0.062 176.184 176.117 0.008 0.000 1.033 182 I CA -0.502 60.805 61.300 0.012 0.000 1.253 182 I CB 0.641 38.642 38.000 0.002 0.000 1.396 182 I HN 0.456 nan 8.210 nan 0.000 0.476 183 E N 6.014 126.193 120.200 -0.035 0.000 2.231 183 E HA 0.166 4.516 4.350 -0.000 0.000 0.277 183 E C 0.058 176.639 176.600 -0.031 0.000 0.999 183 E CA -0.461 55.923 56.400 -0.027 0.000 0.827 183 E CB 1.534 31.191 29.700 -0.070 0.000 1.101 183 E HN 0.648 nan 8.360 nan 0.000 0.393 184 N N 0.522 119.214 118.700 -0.013 0.000 2.780 184 N HA -0.209 4.531 4.740 -0.000 0.000 0.248 184 N C -0.692 174.811 175.510 -0.011 0.000 1.102 184 N CA 0.180 53.223 53.050 -0.013 0.000 0.697 184 N CB -0.408 38.065 38.487 -0.022 0.000 1.028 184 N HN 0.552 nan 8.380 nan 0.000 0.554 185 A N 0.331 123.149 122.820 -0.003 0.000 2.366 185 A HA 0.676 4.996 4.320 -0.000 0.000 0.249 185 A C 0.778 178.368 177.584 0.010 0.000 1.084 185 A CA 0.377 52.414 52.037 0.000 0.000 0.794 185 A CB 0.669 19.672 19.000 0.005 0.000 1.034 185 A HN 0.575 nan 8.150 nan 0.000 0.491 186 A N 0.460 123.288 122.820 0.014 0.000 2.388 186 A HA 0.514 4.834 4.320 -0.000 0.000 0.257 186 A C 0.686 178.294 177.584 0.040 0.000 1.095 186 A CA -0.336 51.718 52.037 0.028 0.000 0.791 186 A CB 0.080 19.099 19.000 0.032 0.000 1.029 186 A HN 0.766 nan 8.150 nan 0.000 0.489 187 R N 0.486 121.026 120.500 0.068 0.000 2.393 187 R HA 0.168 4.508 4.340 -0.000 0.000 0.244 187 R C -0.444 175.907 176.300 0.085 0.000 0.920 187 R CA -0.107 56.049 56.100 0.092 0.000 1.076 187 R CB 0.101 30.477 30.300 0.127 0.000 1.119 187 R HN 0.769 nan 8.270 nan 0.000 0.524 188 E N 1.251 121.462 120.200 0.018 0.000 2.568 188 E HA -0.060 4.290 4.350 -0.000 0.000 0.262 188 E C -1.587 174.900 176.600 -0.189 0.000 0.961 188 E CA -1.009 55.302 56.400 -0.148 0.000 0.945 188 E CB 0.425 30.086 29.700 -0.066 0.000 0.924 188 E HN -0.063 nan 8.360 nan 0.000 0.467 189 P HA -0.204 nan 4.420 nan 0.000 0.217 189 P C 0.351 177.597 177.300 -0.090 0.000 1.151 189 P CA 1.341 64.328 63.100 -0.190 0.000 0.849 189 P CB 0.262 31.831 31.700 -0.218 0.000 0.787 190 E N -1.154 118.995 120.200 -0.085 0.000 2.268 190 E HA -0.094 4.255 4.350 -0.000 0.000 0.195 190 E C 1.929 178.503 176.600 -0.042 0.000 0.995 190 E CA 0.701 57.076 56.400 -0.042 0.000 0.836 190 E CB -0.757 28.932 29.700 -0.018 0.000 0.763 190 E HN 0.306 nan 8.360 nan 0.000 0.491 191 I N -0.304 120.244 120.570 -0.037 0.000 2.500 191 I HA -0.180 3.990 4.170 -0.000 0.000 0.252 191 I C 1.842 177.943 176.117 -0.028 0.000 1.142 191 I CA 0.460 61.740 61.300 -0.033 0.000 1.451 191 I CB -0.020 37.974 38.000 -0.009 0.000 1.093 191 I HN 0.028 nan 8.210 nan 0.000 0.430 192 V N 0.784 120.689 119.914 -0.016 0.000 2.295 192 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 192 V C 2.140 178.246 176.094 0.020 0.000 1.049 192 V CA 2.209 64.512 62.300 0.004 0.000 1.024 192 V CB -0.575 31.255 31.823 0.012 0.000 0.648 192 V HN 0.374 nan 8.190 nan 0.000 0.447 193 D N -0.260 120.157 120.400 0.029 0.000 2.123 193 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 193 D C 2.271 178.554 176.300 -0.029 0.000 0.992 193 D CA 1.851 55.902 54.000 0.085 0.000 0.833 193 D CB -0.154 40.705 40.800 0.099 0.000 0.954 193 D HN 0.395 nan 8.370 nan 0.000 0.455 194 T N -0.369 114.143 114.554 -0.070 0.000 2.746 194 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 194 T C 1.920 176.586 174.700 -0.057 0.000 1.039 194 T CA 1.448 63.484 62.100 -0.106 0.000 1.142 194 T CB -0.455 68.324 68.868 -0.149 0.000 0.866 194 T HN 0.220 nan 8.240 nan 0.000 0.444 195 A N 2.461 125.252 122.820 -0.049 0.000 1.883 195 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 195 A C 2.228 179.779 177.584 -0.055 0.000 1.186 195 A CA 1.655 53.668 52.037 -0.040 0.000 0.624 195 A CB -0.683 18.304 19.000 -0.022 0.000 0.822 195 A HN 0.387 nan 8.150 nan 0.000 0.444 196 N N -1.079 117.598 118.700 -0.039 0.000 2.223 196 N HA -0.121 4.619 4.740 -0.000 0.000 0.185 196 N C 1.341 176.740 175.510 -0.184 0.000 1.016 196 N CA 1.441 54.486 53.050 -0.008 0.000 0.863 196 N CB -0.589 38.005 38.487 0.178 0.000 0.983 196 N HN 0.602 nan 8.380 nan 0.000 0.429 197 F N 1.402 120.933 119.950 -0.699 0.000 2.146 197 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 197 F C 1.964 177.553 175.800 -0.352 0.000 1.096 197 F CA 0.870 58.346 58.000 -0.872 0.000 1.275 197 F CB -0.333 38.106 39.000 -0.935 0.000 1.008 197 F HN -0.085 nan 8.300 nan 0.000 0.480 198 L N 0.147 121.195 121.223 -0.291 0.000 2.012 198 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 198 L C 2.545 179.254 176.870 -0.267 0.000 1.073 198 L CA 1.640 56.300 54.840 -0.300 0.000 0.748 198 L CB -0.736 41.255 42.059 -0.114 0.000 0.891 198 L HN 0.208 nan 8.230 nan 0.000 0.431 199 I N -0.592 119.874 120.570 -0.174 0.000 2.208 199 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 199 I C 2.461 178.499 176.117 -0.131 0.000 1.097 199 I CA 1.531 62.762 61.300 -0.115 0.000 1.363 199 I CB -0.436 37.530 38.000 -0.057 0.000 1.051 199 I HN 0.265 nan 8.210 nan 0.000 0.413 200 T N 1.101 115.560 114.554 -0.159 0.000 2.778 200 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 200 T C 1.740 176.323 174.700 -0.195 0.000 1.050 200 T CA 1.159 63.181 62.100 -0.130 0.000 1.137 200 T CB -0.176 68.652 68.868 -0.067 0.000 0.860 200 T HN 0.293 nan 8.240 nan 0.000 0.468 201 L N -0.185 120.847 121.223 -0.320 0.000 2.558 201 L HA 0.258 4.598 4.340 -0.000 0.000 0.225 201 L C 1.628 178.396 176.870 -0.168 0.000 1.128 201 L CA 0.456 55.128 54.840 -0.280 0.000 0.868 201 L CB -0.051 41.764 42.059 -0.406 0.000 1.006 201 L HN 0.498 nan 8.230 nan 0.000 0.454 202 G N 0.155 108.871 108.800 -0.140 0.000 2.189 202 G HA2 0.015 3.975 3.960 -0.000 0.000 0.113 202 G HA3 0.015 3.975 3.960 -0.000 0.000 0.113 202 G C -0.135 174.715 174.900 -0.083 0.000 1.038 202 G CA -0.212 44.832 45.100 -0.093 0.000 0.704 202 G HN 0.369 nan 8.290 nan 0.000 0.490 203 A N 0.047 122.812 122.820 -0.092 0.000 2.374 203 A HA 0.845 5.165 4.320 -0.000 0.000 0.317 203 A C 0.028 177.578 177.584 -0.057 0.000 1.094 203 A CA -0.459 51.534 52.037 -0.073 0.000 0.765 203 A CB 1.403 20.353 19.000 -0.084 0.000 1.268 203 A HN 0.590 nan 8.150 nan 0.000 0.438 204 K N 2.950 123.325 120.400 -0.041 0.000 2.257 204 K HA 0.557 4.877 4.320 -0.000 0.000 0.270 204 K C -1.576 175.009 176.600 -0.024 0.000 1.098 204 K CA -0.062 56.207 56.287 -0.030 0.000 0.943 204 K CB 0.005 32.490 32.500 -0.025 0.000 1.316 204 K HN 0.623 nan 8.250 nan 0.000 0.447 205 I N 3.121 123.677 120.570 -0.024 0.000 2.433 205 I HA 0.180 4.350 4.170 -0.000 0.000 0.292 205 I C -0.617 175.495 176.117 -0.009 0.000 1.001 205 I CA -0.466 60.824 61.300 -0.017 0.000 1.119 205 I CB 2.156 40.143 38.000 -0.021 0.000 1.289 205 I HN 0.610 nan 8.210 nan 0.000 0.438 206 S N 3.296 118.994 115.700 -0.004 0.000 2.538 206 S HA 0.834 5.304 4.470 -0.000 0.000 0.288 206 S C 0.220 174.823 174.600 0.005 0.000 1.108 206 S CA 0.025 58.226 58.200 0.001 0.000 0.971 206 S CB 1.992 65.192 63.200 0.000 0.000 1.041 206 S HN 1.164 nan 8.310 nan 0.000 0.483 207 G N 1.309 110.114 108.800 0.009 0.000 2.192 207 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.193 207 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.193 207 G C 0.052 174.961 174.900 0.015 0.000 0.999 207 G CA -0.141 44.967 45.100 0.012 0.000 0.659 207 G HN 1.183 nan 8.290 nan 0.000 0.503 208 Q N 0.583 120.390 119.800 0.012 0.000 2.283 208 Q HA 0.372 4.712 4.340 -0.000 0.000 0.301 208 Q C 1.187 177.199 176.000 0.021 0.000 1.063 208 Q CA 1.202 57.013 55.803 0.013 0.000 0.952 208 Q CB 0.752 29.495 28.738 0.008 0.000 1.166 208 Q HN 1.854 nan 8.270 nan 0.000 0.381 209 G N 2.116 110.932 108.800 0.027 0.000 2.195 209 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.246 209 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.246 209 G C 0.230 175.158 174.900 0.046 0.000 0.984 209 G CA 0.461 45.587 45.100 0.044 0.000 0.633 209 G HN 1.194 nan 8.290 nan 0.000 0.525 210 T N -2.148 112.425 114.554 0.032 0.000 2.927 210 T HA 0.577 4.927 4.350 -0.000 0.000 0.286 210 T C 1.054 175.769 174.700 0.024 0.000 1.040 210 T CA 0.555 62.671 62.100 0.027 0.000 1.010 210 T CB 1.829 70.709 68.868 0.021 0.000 1.177 210 T HN 0.152 nan 8.240 nan 0.000 0.546 211 D N -0.732 119.680 120.400 0.020 0.000 2.347 211 D HA -0.005 4.635 4.640 -0.000 0.000 0.215 211 D C 0.762 177.072 176.300 0.018 0.000 0.976 211 D CA 0.153 54.163 54.000 0.017 0.000 0.884 211 D CB 0.136 40.944 40.800 0.013 0.000 0.915 211 D HN 0.528 nan 8.370 nan 0.000 0.526 212 R N 0.205 120.719 120.500 0.023 0.000 2.514 212 R HA 0.650 4.989 4.340 -0.000 0.000 0.301 212 R C -1.137 175.179 176.300 0.027 0.000 0.962 212 R CA -0.592 55.526 56.100 0.031 0.000 0.882 212 R CB 1.205 31.528 30.300 0.038 0.000 1.143 212 R HN -0.051 nan 8.270 nan 0.000 0.452 213 I N 4.363 124.951 120.570 0.030 0.000 2.571 213 I HA 0.270 4.440 4.170 -0.000 0.000 0.289 213 I C -1.093 175.038 176.117 0.025 0.000 1.115 213 I CA -0.993 60.319 61.300 0.021 0.000 1.045 213 I CB 2.441 40.449 38.000 0.014 0.000 1.238 213 I HN 0.319 nan 8.210 nan 0.000 0.424 214 V N 7.314 127.238 119.914 0.016 0.000 2.444 214 V HA 0.494 4.614 4.120 -0.000 0.000 0.294 214 V C -0.452 175.645 176.094 0.004 0.000 1.022 214 V CA -0.449 61.860 62.300 0.014 0.000 0.850 214 V CB 1.936 33.764 31.823 0.008 0.000 0.992 214 V HN 0.403 nan 8.190 nan 0.000 0.426 215 I N 3.872 124.445 120.570 0.005 0.000 2.406 215 I HA 0.459 4.629 4.170 -0.000 0.000 0.290 215 I C -0.144 175.970 176.117 -0.005 0.000 0.999 215 I CA -0.449 60.848 61.300 -0.004 0.000 1.124 215 I CB 1.891 39.889 38.000 -0.004 0.000 1.289 215 I HN 0.630 nan 8.210 nan 0.000 0.441 216 E N 4.646 124.839 120.200 -0.012 0.000 2.081 216 E HA 0.553 4.903 4.350 -0.000 0.000 0.276 216 E C 0.211 176.800 176.600 -0.018 0.000 0.950 216 E CA -0.497 55.895 56.400 -0.014 0.000 0.776 216 E CB 0.996 30.687 29.700 -0.015 0.000 1.094 216 E HN 0.761 nan 8.360 nan 0.000 0.402 217 G N 3.019 111.809 108.800 -0.016 0.000 2.353 217 G HA2 0.304 4.264 3.960 -0.000 0.000 0.239 217 G HA3 0.304 4.264 3.960 -0.000 0.000 0.239 217 G C 0.238 175.123 174.900 -0.025 0.000 1.295 217 G CA 0.166 45.254 45.100 -0.020 0.000 0.884 217 G HN 0.550 nan 8.290 nan 0.000 0.537 218 V N 0.255 120.151 119.914 -0.031 0.000 3.485 218 V HA 0.722 4.842 4.120 -0.000 0.000 0.293 218 V C 0.918 176.990 176.094 -0.037 0.000 1.253 218 V CA 0.156 62.436 62.300 -0.034 0.000 0.991 218 V CB 1.592 33.391 31.823 -0.040 0.000 1.252 218 V HN 0.758 nan 8.190 nan 0.000 0.473 219 E N -0.892 119.284 120.200 -0.040 0.000 2.421 219 E HA 0.393 4.743 4.350 -0.000 0.000 0.209 219 E C 0.551 177.120 176.600 -0.053 0.000 0.871 219 E CA -0.346 56.029 56.400 -0.043 0.000 1.064 219 E CB 0.739 30.418 29.700 -0.036 0.000 1.075 219 E HN 0.710 nan 8.360 nan 0.000 0.513 220 R N -0.538 119.930 120.500 -0.053 0.000 2.728 220 R HA 0.508 4.847 4.340 -0.000 0.000 0.274 220 R C -1.837 174.427 176.300 -0.060 0.000 1.030 220 R CA -0.776 55.287 56.100 -0.061 0.000 0.876 220 R CB 1.299 31.567 30.300 -0.054 0.000 1.259 220 R HN -0.062 nan 8.270 nan 0.000 0.468 221 L N -0.013 121.172 121.223 -0.063 0.000 2.431 221 L HA 0.596 4.936 4.340 -0.000 0.000 0.266 221 L C 0.380 177.212 176.870 -0.064 0.000 0.978 221 L CA -0.254 54.543 54.840 -0.072 0.000 0.822 221 L CB 2.335 44.343 42.059 -0.084 0.000 1.310 221 L HN 0.853 nan 8.230 nan 0.000 0.409 222 G N 0.759 109.515 108.800 -0.075 0.000 2.829 222 G HA2 0.669 4.629 3.960 -0.000 0.000 0.173 222 G HA3 0.669 4.629 3.960 -0.000 0.000 0.173 222 G C -0.102 174.766 174.900 -0.053 0.000 1.476 222 G CA 0.150 45.218 45.100 -0.053 0.000 1.072 222 G HN 0.777 nan 8.290 nan 0.000 0.577 223 G N -2.885 105.893 108.800 -0.037 0.000 3.209 223 G HA2 0.741 4.701 3.960 -0.000 0.000 0.236 223 G HA3 0.741 4.701 3.960 -0.000 0.000 0.236 223 G C -0.192 174.693 174.900 -0.025 0.000 1.329 223 G CA 0.041 45.131 45.100 -0.016 0.000 1.015 223 G HN 1.834 nan 8.290 nan 0.000 0.571 224 G N -2.743 106.073 108.800 0.026 0.000 2.352 224 G HA2 0.483 4.443 3.960 -0.000 0.000 0.283 224 G HA3 0.483 4.443 3.960 -0.000 0.000 0.283 224 G C -1.989 172.975 174.900 0.107 0.000 1.308 224 G CA 0.088 45.214 45.100 0.044 0.000 0.892 224 G HN 1.315 nan 8.290 nan 0.000 0.504 225 V N 0.332 120.320 119.914 0.123 0.000 2.588 225 V HA 0.762 4.882 4.120 -0.000 0.000 0.304 225 V C -1.244 174.990 176.094 0.233 0.000 1.042 225 V CA -0.578 61.813 62.300 0.152 0.000 0.877 225 V CB 1.629 33.505 31.823 0.088 0.000 0.996 225 V HN 0.961 nan 8.190 nan 0.000 0.425 226 Y N 3.900 124.267 120.300 0.112 0.000 2.470 226 Y HA 0.603 5.153 4.550 -0.000 0.000 0.341 226 Y C -0.315 175.613 175.900 0.048 0.000 1.021 226 Y CA -0.776 57.399 58.100 0.125 0.000 1.025 226 Y CB 1.717 40.366 38.460 0.315 0.000 1.266 226 Y HN 0.621 nan 8.280 nan 0.000 0.448 227 R N 4.901 125.114 120.500 -0.478 0.000 2.294 227 R HA 0.645 4.985 4.340 -0.000 0.000 0.319 227 R C -1.541 174.595 176.300 -0.273 0.000 0.984 227 R CA -0.608 55.326 56.100 -0.277 0.000 0.861 227 R CB 1.108 31.270 30.300 -0.231 0.000 1.104 227 R HN 0.595 nan 8.270 nan 0.000 0.451 228 V N 6.534 126.425 119.914 -0.038 0.000 2.614 228 V HA 0.074 4.194 4.120 -0.000 0.000 0.291 228 V C 0.963 177.055 176.094 -0.004 0.000 1.049 228 V CA -0.357 61.968 62.300 0.041 0.000 1.038 228 V CB 0.829 32.666 31.823 0.022 0.000 0.980 228 V HN 0.697 nan 8.190 nan 0.000 0.481 229 L N 5.560 126.798 121.223 0.024 0.000 2.473 229 L HA 0.460 4.800 4.340 -0.000 0.000 0.265 229 L C -2.342 174.529 176.870 0.002 0.000 1.243 229 L CA -1.306 53.536 54.840 0.003 0.000 0.822 229 L CB -0.222 41.847 42.059 0.016 0.000 1.101 229 L HN 0.350 nan 8.230 nan 0.000 0.507 230 P HA 0.076 nan 4.420 nan 0.000 0.274 230 P C -1.286 176.023 177.300 0.014 0.000 1.231 230 P CA -0.158 62.950 63.100 0.014 0.000 0.790 230 P CB 0.430 32.143 31.700 0.021 0.000 0.951 231 D N 2.063 122.478 120.400 0.026 0.000 2.352 231 D HA 0.013 4.653 4.640 -0.000 0.000 0.245 231 D C 1.335 177.653 176.300 0.031 0.000 1.224 231 D CA -0.146 53.865 54.000 0.017 0.000 0.879 231 D CB 0.584 41.393 40.800 0.015 0.000 1.057 231 D HN 0.330 nan 8.370 nan 0.000 0.491 232 R N 3.731 124.236 120.500 0.008 0.000 2.152 232 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 232 R C 1.388 177.700 176.300 0.021 0.000 1.117 232 R CA 0.549 56.657 56.100 0.013 0.000 0.981 232 R CB -0.135 30.157 30.300 -0.013 0.000 0.870 232 R HN 0.343 nan 8.270 nan 0.000 0.451 233 I N 1.879 122.451 120.570 0.004 0.000 2.233 233 I HA -0.147 4.023 4.170 -0.000 0.000 0.243 233 I C 2.536 178.698 176.117 0.075 0.000 1.093 233 I CA 1.270 62.576 61.300 0.011 0.000 1.380 233 I CB -1.260 36.719 38.000 -0.036 0.000 1.067 233 I HN 0.338 nan 8.210 nan 0.000 0.413 234 E N 0.790 121.047 120.200 0.095 0.000 2.110 234 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 234 E C 2.035 178.781 176.600 0.245 0.000 0.988 234 E CA 1.903 58.433 56.400 0.216 0.000 0.804 234 E CB 0.171 30.032 29.700 0.269 0.000 0.745 234 E HN 0.411 nan 8.360 nan 0.000 0.458 235 T N -0.241 114.431 114.554 0.198 0.000 2.684 235 T HA -0.148 4.201 4.350 -0.000 0.000 0.267 235 T C 1.736 176.538 174.700 0.169 0.000 1.036 235 T CA 1.300 63.520 62.100 0.201 0.000 1.148 235 T CB -0.679 68.263 68.868 0.124 0.000 0.863 235 T HN 0.405 nan 8.240 nan 0.000 0.436 236 G N 1.082 109.948 108.800 0.111 0.000 2.418 236 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 236 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 236 G C 1.723 176.661 174.900 0.064 0.000 1.158 236 G CA 1.465 46.627 45.100 0.103 0.000 0.771 236 G HN 0.469 nan 8.290 nan 0.000 0.545 237 T N 1.044 115.600 114.554 0.004 0.000 2.746 237 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 237 T C 2.031 176.592 174.700 -0.232 0.000 1.039 237 T CA 1.139 63.144 62.100 -0.158 0.000 1.142 237 T CB -0.293 68.408 68.868 -0.278 0.000 0.866 237 T HN 0.220 nan 8.240 nan 0.000 0.444 238 F N 0.898 120.859 119.950 0.018 0.000 2.234 238 F HA 0.224 4.751 4.527 -0.000 0.000 0.296 238 F C 2.116 177.910 175.800 -0.010 0.000 1.089 238 F CA 0.166 58.163 58.000 -0.005 0.000 1.343 238 F CB -0.810 38.196 39.000 0.011 0.000 1.040 238 F HN 0.049 nan 8.300 nan 0.000 0.498 239 L N -0.702 120.629 121.223 0.179 0.000 2.043 239 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 239 L C 2.363 179.244 176.870 0.018 0.000 1.075 239 L CA 0.939 55.838 54.840 0.098 0.000 0.752 239 L CB -0.910 41.210 42.059 0.103 0.000 0.891 239 L HN -0.013 nan 8.230 nan 0.000 0.432 240 V N -0.212 119.679 119.914 -0.040 0.000 2.427 240 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 240 V C 2.723 178.753 176.094 -0.106 0.000 1.051 240 V CA 1.589 63.797 62.300 -0.152 0.000 1.048 240 V CB -0.655 31.020 31.823 -0.247 0.000 0.666 240 V HN 0.481 nan 8.190 nan 0.000 0.456 241 A N 0.028 122.812 122.820 -0.059 0.000 1.948 241 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 241 A C 2.392 179.969 177.584 -0.011 0.000 1.177 241 A CA 2.327 54.345 52.037 -0.032 0.000 0.636 241 A CB -0.680 18.340 19.000 0.033 0.000 0.815 241 A HN 0.579 nan 8.150 nan 0.000 0.449 242 A N -0.371 122.454 122.820 0.009 0.000 1.872 242 A HA 0.269 4.589 4.320 -0.000 0.000 0.214 242 A C 2.493 180.060 177.584 -0.027 0.000 1.187 242 A CA 1.786 53.822 52.037 -0.001 0.000 0.614 242 A CB -1.042 17.964 19.000 0.011 0.000 0.826 242 A HN 1.111 nan 8.150 nan 0.000 0.442 243 A N 0.359 123.154 122.820 -0.042 0.000 2.019 243 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 243 A C 2.021 179.570 177.584 -0.058 0.000 1.164 243 A CA 1.515 53.519 52.037 -0.054 0.000 0.644 243 A CB -0.782 18.173 19.000 -0.076 0.000 0.805 243 A HN 0.979 nan 8.150 nan 0.000 0.449 244 I N -3.193 117.337 120.570 -0.066 0.000 3.645 244 I HA 0.070 4.240 4.170 -0.000 0.000 0.300 244 I C 1.656 177.749 176.117 -0.039 0.000 1.260 244 I CA 1.153 62.417 61.300 -0.059 0.000 1.365 244 I CB 0.075 38.030 38.000 -0.075 0.000 1.077 244 I HN 0.196 nan 8.210 nan 0.000 0.439 245 S N 0.636 116.315 115.700 -0.034 0.000 2.577 245 S HA 0.288 4.758 4.470 -0.000 0.000 0.219 245 S C 0.886 175.475 174.600 -0.020 0.000 0.962 245 S CA -0.499 57.686 58.200 -0.025 0.000 0.921 245 S CB -0.264 62.923 63.200 -0.022 0.000 0.789 245 S HN 0.542 nan 8.310 nan 0.000 0.497 246 R N 0.299 120.787 120.500 -0.021 0.000 3.423 246 R HA -0.115 4.224 4.340 -0.000 0.000 0.271 246 R C 0.528 176.816 176.300 -0.020 0.000 1.093 246 R CA 0.371 56.462 56.100 -0.016 0.000 0.730 246 R CB -2.113 28.183 30.300 -0.007 0.000 1.190 246 R HN 0.659 nan 8.270 nan 0.000 0.437 247 G N 0.366 109.149 108.800 -0.028 0.000 3.119 247 G HA2 0.678 4.638 3.960 -0.000 0.000 0.206 247 G HA3 0.678 4.638 3.960 -0.000 0.000 0.206 247 G C -0.811 174.061 174.900 -0.046 0.000 1.313 247 G CA -0.285 44.797 45.100 -0.030 0.000 1.010 247 G HN 0.127 nan 8.290 nan 0.000 0.578 248 K N -1.628 118.747 120.400 -0.040 0.000 2.542 248 K HA 0.731 5.051 4.320 -0.000 0.000 0.259 248 K C -1.878 174.705 176.600 -0.028 0.000 0.932 248 K CA -0.747 55.511 56.287 -0.049 0.000 0.820 248 K CB 2.298 34.757 32.500 -0.068 0.000 1.345 248 K HN 0.553 nan 8.250 nan 0.000 0.432 249 I N 3.521 124.082 120.570 -0.014 0.000 2.841 249 I HA 0.476 4.646 4.170 -0.000 0.000 0.298 249 I C -1.640 174.489 176.117 0.019 0.000 1.304 249 I CA -1.207 60.092 61.300 -0.002 0.000 1.019 249 I CB 1.742 39.753 38.000 0.018 0.000 1.282 249 I HN 0.681 nan 8.210 nan 0.000 0.432 250 I N 5.422 125.993 120.570 0.003 0.000 2.465 250 I HA 0.345 4.515 4.170 -0.000 0.000 0.291 250 I C -0.717 175.422 176.117 0.037 0.000 1.014 250 I CA -0.555 60.766 61.300 0.035 0.000 1.093 250 I CB 1.350 39.326 38.000 -0.041 0.000 1.267 250 I HN 0.470 nan 8.210 nan 0.000 0.431 251 C N 6.208 125.573 119.300 0.107 0.000 2.281 251 C HA 0.533 4.993 4.460 -0.000 0.000 0.325 251 C C 0.596 175.662 174.990 0.126 0.000 1.282 251 C CA -0.731 58.338 59.018 0.084 0.000 1.640 251 C CB 0.636 28.442 27.740 0.109 0.000 2.288 251 C HN 0.604 nan 8.230 nan 0.000 0.507 252 R N 2.744 123.284 120.500 0.066 0.000 2.486 252 R HA 0.329 4.669 4.340 -0.000 0.000 0.286 252 R C 0.077 176.418 176.300 0.068 0.000 0.999 252 R CA -0.398 55.751 56.100 0.081 0.000 0.993 252 R CB 0.464 30.779 30.300 0.026 0.000 1.084 252 R HN 0.801 nan 8.270 nan 0.000 0.487 253 N N -0.931 117.817 118.700 0.081 0.000 2.780 253 N HA -0.176 4.564 4.740 -0.000 0.000 0.247 253 N C -1.172 174.370 175.510 0.052 0.000 1.076 253 N CA 1.081 54.163 53.050 0.054 0.000 0.688 253 N CB -0.961 37.545 38.487 0.031 0.000 0.957 253 N HN 0.754 nan 8.380 nan 0.000 0.551 254 A N -0.067 122.792 122.820 0.064 0.000 2.288 254 A HA 0.751 5.071 4.320 -0.000 0.000 0.328 254 A C 0.130 177.723 177.584 0.015 0.000 1.123 254 A CA -0.477 51.588 52.037 0.047 0.000 0.861 254 A CB 1.369 20.407 19.000 0.063 0.000 1.272 254 A HN 0.215 nan 8.150 nan 0.000 0.490 255 Q N 0.653 120.455 119.800 0.005 0.000 2.771 255 Q HA 0.336 4.676 4.340 -0.000 0.000 0.247 255 Q C -2.312 173.677 176.000 -0.019 0.000 0.986 255 Q CA -1.774 54.021 55.803 -0.013 0.000 0.713 255 Q CB 1.318 30.052 28.738 -0.007 0.000 1.241 255 Q HN 0.415 nan 8.270 nan 0.000 0.488 256 P HA -0.189 nan 4.420 nan 0.000 0.216 256 P C 0.514 177.799 177.300 -0.025 0.000 1.150 256 P CA 1.486 64.556 63.100 -0.051 0.000 0.843 256 P CB 0.170 31.800 31.700 -0.115 0.000 0.787 257 D N -2.211 118.177 120.400 -0.021 0.000 2.403 257 D HA -0.098 4.541 4.640 -0.000 0.000 0.227 257 D C 1.232 177.557 176.300 0.042 0.000 0.995 257 D CA 1.109 55.110 54.000 0.002 0.000 0.928 257 D CB -1.436 39.365 40.800 0.001 0.000 0.887 257 D HN 0.073 nan 8.370 nan 0.000 0.529 258 T N -0.534 114.043 114.554 0.038 0.000 3.065 258 T HA 0.236 4.586 4.350 -0.000 0.000 0.252 258 T C 1.088 175.845 174.700 0.096 0.000 1.099 258 T CA 0.057 62.195 62.100 0.064 0.000 1.063 258 T CB 0.093 68.967 68.868 0.010 0.000 0.948 258 T HN 0.159 nan 8.240 nan 0.000 0.506 259 L N 0.449 121.704 121.223 0.054 0.000 3.289 259 L HA 0.278 4.618 4.340 -0.000 0.000 0.291 259 L C 0.918 177.799 176.870 0.018 0.000 1.279 259 L CA -0.211 54.648 54.840 0.032 0.000 1.025 259 L CB 0.573 42.648 42.059 0.025 0.000 1.413 259 L HN -0.034 nan 8.230 nan 0.000 0.593 260 D N 1.614 122.022 120.400 0.014 0.000 2.137 260 D HA -0.249 4.391 4.640 -0.000 0.000 0.189 260 D C 2.162 178.462 176.300 0.001 0.000 0.998 260 D CA 1.915 55.913 54.000 -0.003 0.000 0.839 260 D CB 0.123 40.909 40.800 -0.022 0.000 0.962 260 D HN 0.378 nan 8.370 nan 0.000 0.446 261 A N 0.615 123.426 122.820 -0.015 0.000 1.892 261 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 261 A C 2.614 180.229 177.584 0.052 0.000 1.188 261 A CA 1.769 53.815 52.037 0.015 0.000 0.631 261 A CB -0.872 18.136 19.000 0.014 0.000 0.822 261 A HN 0.177 nan 8.150 nan 0.000 0.447 262 V N 0.050 119.959 119.914 -0.008 0.000 2.358 262 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 262 V C 2.544 178.732 176.094 0.157 0.000 1.047 262 V CA 1.870 64.186 62.300 0.028 0.000 1.035 262 V CB -0.681 31.122 31.823 -0.034 0.000 0.658 262 V HN 0.566 nan 8.190 nan 0.000 0.452 263 L N -0.003 121.280 121.223 0.100 0.000 2.056 263 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 263 L C 2.744 179.675 176.870 0.102 0.000 1.078 263 L CA 1.452 56.354 54.840 0.103 0.000 0.749 263 L CB -0.851 41.242 42.059 0.056 0.000 0.901 263 L HN 0.354 nan 8.230 nan 0.000 0.433 264 A N 0.029 122.894 122.820 0.074 0.000 1.933 264 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 264 A C 2.293 179.924 177.584 0.079 0.000 1.175 264 A CA 1.792 53.864 52.037 0.058 0.000 0.628 264 A CB -0.328 18.691 19.000 0.032 0.000 0.814 264 A HN 0.165 nan 8.150 nan 0.000 0.444 265 K N -0.314 120.150 120.400 0.107 0.000 2.155 265 K HA 0.133 4.453 4.320 -0.000 0.000 0.203 265 K C 1.736 178.485 176.600 0.250 0.000 1.052 265 K CA 0.832 57.190 56.287 0.119 0.000 0.948 265 K CB -0.428 32.077 32.500 0.009 0.000 0.728 265 K HN 0.500 nan 8.250 nan 0.000 0.448 266 L N -0.054 121.352 121.223 0.305 0.000 2.093 266 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 266 L C 2.550 179.504 176.870 0.139 0.000 1.085 266 L CA 1.225 56.217 54.840 0.253 0.000 0.755 266 L CB -0.324 41.866 42.059 0.218 0.000 0.904 266 L HN 0.181 nan 8.230 nan 0.000 0.435 267 R N 0.402 120.969 120.500 0.112 0.000 2.083 267 R HA -0.206 4.134 4.340 -0.000 0.000 0.237 267 R C 1.785 178.128 176.300 0.070 0.000 1.137 267 R CA 2.109 58.256 56.100 0.079 0.000 0.951 267 R CB -0.219 30.119 30.300 0.063 0.000 0.851 267 R HN 0.299 nan 8.270 nan 0.000 0.434 268 D N 0.087 120.528 120.400 0.069 0.000 2.265 268 D HA -0.140 4.500 4.640 -0.000 0.000 0.208 268 D C 1.332 177.664 176.300 0.055 0.000 0.977 268 D CA 1.387 55.417 54.000 0.049 0.000 0.871 268 D CB -0.075 40.743 40.800 0.030 0.000 0.925 268 D HN 0.440 nan 8.370 nan 0.000 0.485 269 A N -0.587 122.281 122.820 0.080 0.000 2.218 269 A HA 0.446 4.766 4.320 -0.000 0.000 0.209 269 A C 1.684 179.298 177.584 0.050 0.000 1.168 269 A CA 0.941 53.018 52.037 0.067 0.000 0.804 269 A CB 0.079 19.130 19.000 0.085 0.000 0.834 269 A HN 0.241 nan 8.150 nan 0.000 0.482 270 G N -2.216 106.617 108.800 0.056 0.000 2.143 270 G HA2 0.208 4.168 3.960 -0.000 0.000 0.175 270 G HA3 0.208 4.168 3.960 -0.000 0.000 0.175 270 G C 0.237 175.175 174.900 0.063 0.000 1.004 270 G CA 0.074 45.207 45.100 0.055 0.000 0.671 270 G HN 1.415 nan 8.290 nan 0.000 0.512 271 A N -0.135 122.721 122.820 0.060 0.000 2.302 271 A HA 0.651 4.971 4.320 -0.000 0.000 0.285 271 A C -0.064 177.559 177.584 0.065 0.000 1.105 271 A CA 0.193 52.259 52.037 0.049 0.000 0.816 271 A CB 0.892 19.917 19.000 0.040 0.000 1.067 271 A HN 0.425 nan 8.150 nan 0.000 0.489 272 D N 1.507 121.939 120.400 0.054 0.000 2.412 272 D HA 0.496 5.136 4.640 -0.000 0.000 0.224 272 D C -0.795 175.545 176.300 0.067 0.000 1.093 272 D CA 0.126 54.180 54.000 0.090 0.000 0.850 272 D CB 0.058 40.962 40.800 0.174 0.000 1.046 272 D HN 0.342 nan 8.370 nan 0.000 0.507 273 I N 2.951 123.568 120.570 0.078 0.000 2.465 273 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 273 I C 0.195 176.360 176.117 0.080 0.000 1.014 273 I CA -0.737 60.609 61.300 0.078 0.000 1.093 273 I CB 1.870 39.908 38.000 0.064 0.000 1.267 273 I HN 0.211 nan 8.210 nan 0.000 0.431 274 E N 5.027 125.295 120.200 0.114 0.000 2.288 274 E HA 0.622 4.972 4.350 -0.000 0.000 0.268 274 E C -1.366 175.185 176.600 -0.081 0.000 0.885 274 E CA -0.845 55.609 56.400 0.089 0.000 0.767 274 E CB 3.447 33.296 29.700 0.248 0.000 1.220 274 E HN 0.400 nan 8.360 nan 0.000 0.427 275 V N -1.074 118.624 119.914 -0.360 0.000 2.735 275 V HA 0.878 4.998 4.120 -0.000 0.000 0.310 275 V C 0.098 175.433 176.094 -1.265 0.000 1.061 275 V CA -0.462 61.386 62.300 -0.753 0.000 0.913 275 V CB 1.415 33.006 31.823 -0.387 0.000 1.005 275 V HN 0.742 nan 8.190 nan 0.000 0.428 276 G N 1.706 109.176 108.800 -2.216 0.000 2.736 276 G HA2 0.417 4.377 3.960 -0.000 0.000 0.229 276 G HA3 0.417 4.377 3.960 -0.000 0.000 0.229 276 G C 0.186 174.660 174.900 -0.710 0.000 1.380 276 G CA 0.205 44.355 45.100 -1.583 0.000 1.040 276 G HN 0.862 nan 8.290 nan 0.000 0.568 277 E N -0.685 119.312 120.200 -0.338 0.000 2.318 277 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 277 E C 0.179 176.714 176.600 -0.107 0.000 0.998 277 E CA 0.945 57.253 56.400 -0.153 0.000 0.859 277 E CB 0.310 29.986 29.700 -0.041 0.000 0.812 277 E HN 0.522 nan 8.360 nan 0.000 0.492 278 D N -0.619 119.739 120.400 -0.071 0.000 2.740 278 D HA -0.001 4.639 4.640 -0.000 0.000 0.305 278 D C -0.363 176.025 176.300 0.147 0.000 1.583 278 D CA -0.466 53.552 54.000 0.031 0.000 0.790 278 D CB -0.907 39.939 40.800 0.077 0.000 1.187 278 D HN 0.160 nan 8.370 nan 0.000 0.447 279 W N 0.231 121.534 121.300 0.005 0.000 3.083 279 W HA 0.714 5.374 4.660 -0.000 0.000 0.333 279 W C -1.932 174.594 176.519 0.012 0.000 1.217 279 W CA -1.323 56.025 57.345 0.005 0.000 1.170 279 W CB 0.612 30.072 29.460 -0.001 0.000 1.437 279 W HN -0.303 nan 8.180 nan 0.000 0.557 280 I N 2.947 123.703 120.570 0.310 0.000 2.582 280 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 280 I C -0.071 176.268 176.117 0.371 0.000 1.066 280 I CA -0.745 60.679 61.300 0.206 0.000 1.053 280 I CB 2.566 40.617 38.000 0.086 0.000 1.241 280 I HN 0.464 nan 8.210 nan 0.000 0.421 281 S N 6.707 122.640 115.700 0.388 0.000 2.536 281 S HA 0.858 5.328 4.470 -0.000 0.000 0.298 281 S C -1.021 173.673 174.600 0.155 0.000 1.083 281 S CA -0.730 57.637 58.200 0.278 0.000 0.995 281 S CB 2.373 65.767 63.200 0.323 0.000 1.058 281 S HN 0.638 nan 8.310 nan 0.000 0.488 282 L N 1.992 123.265 121.223 0.084 0.000 2.464 282 L HA 0.675 5.015 4.340 -0.000 0.000 0.266 282 L C -2.013 174.835 176.870 -0.036 0.000 0.965 282 L CA -0.277 54.584 54.840 0.034 0.000 0.833 282 L CB 1.971 44.054 42.059 0.040 0.000 1.296 282 L HN 0.835 nan 8.230 nan 0.000 0.405 283 D N 4.617 124.951 120.400 -0.110 0.000 2.787 283 D HA 0.333 4.973 4.640 -0.000 0.000 0.246 283 D C 0.209 176.298 176.300 -0.351 0.000 1.150 283 D CA -0.435 53.392 54.000 -0.289 0.000 0.864 283 D CB 1.985 42.492 40.800 -0.488 0.000 1.481 283 D HN 0.490 nan 8.370 nan 0.000 0.509 284 M N 1.425 120.873 119.600 -0.253 0.000 2.509 284 M HA 0.031 4.511 4.480 -0.000 0.000 0.250 284 M C 0.117 176.388 176.300 -0.050 0.000 1.132 284 M CA 0.228 55.456 55.300 -0.119 0.000 1.080 284 M CB -0.665 31.906 32.600 -0.048 0.000 1.408 284 M HN 0.476 nan 8.290 nan 0.000 0.484 285 H N 0.393 119.472 119.070 0.015 0.000 2.692 285 H HA -0.160 4.396 4.556 -0.000 0.000 0.316 285 H C 1.383 176.716 175.328 0.009 0.000 1.176 285 H CA 0.935 56.990 56.048 0.012 0.000 1.142 285 H CB -2.209 27.561 29.762 0.014 0.000 1.475 285 H HN 0.655 nan 8.280 nan 0.000 0.423 286 G N -0.782 108.059 108.800 0.068 0.000 2.196 286 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.268 286 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.268 286 G C 0.507 175.431 174.900 0.041 0.000 0.975 286 G CA 0.867 45.994 45.100 0.046 0.000 0.648 286 G HN 0.404 nan 8.290 nan 0.000 0.538 287 K N 0.383 120.814 120.400 0.052 0.000 2.237 287 K HA 0.364 4.684 4.320 -0.000 0.000 0.270 287 K C 0.764 177.378 176.600 0.024 0.000 1.015 287 K CA -0.686 55.627 56.287 0.043 0.000 0.949 287 K CB 1.011 33.548 32.500 0.061 0.000 0.976 287 K HN 0.489 nan 8.250 nan 0.000 0.472 288 R N 3.133 123.645 120.500 0.020 0.000 2.390 288 R HA 0.194 4.534 4.340 -0.000 0.000 0.291 288 R C -2.048 174.260 176.300 0.014 0.000 1.070 288 R CA -1.257 54.851 56.100 0.012 0.000 1.014 288 R CB 0.474 30.782 30.300 0.013 0.000 1.007 288 R HN 0.332 nan 8.270 nan 0.000 0.466 289 P HA 0.061 nan 4.420 nan 0.000 0.272 289 P C -1.201 176.108 177.300 0.016 0.000 1.223 289 P CA -0.008 63.097 63.100 0.008 0.000 0.784 289 P CB 0.698 32.391 31.700 -0.012 0.000 0.923 290 K N 0.914 121.328 120.400 0.023 0.000 2.130 290 K HA 0.491 4.810 4.320 -0.000 0.000 0.268 290 K C 0.243 176.857 176.600 0.024 0.000 0.983 290 K CA -0.648 55.654 56.287 0.025 0.000 0.893 290 K CB 1.650 34.166 32.500 0.026 0.000 1.066 290 K HN 0.544 nan 8.250 nan 0.000 0.450 291 A N 1.980 124.811 122.820 0.019 0.000 2.555 291 A HA 0.235 4.555 4.320 -0.000 0.000 0.233 291 A C 0.349 177.929 177.584 -0.007 0.000 1.060 291 A CA -0.184 51.859 52.037 0.010 0.000 0.759 291 A CB -0.066 18.940 19.000 0.009 0.000 0.995 291 A HN 0.548 nan 8.150 nan 0.000 0.506 292 V N 0.154 120.053 119.914 -0.024 0.000 3.102 292 V HA 0.651 4.771 4.120 -0.000 0.000 0.312 292 V C -0.494 175.475 176.094 -0.208 0.000 1.135 292 V CA -1.238 61.016 62.300 -0.077 0.000 1.022 292 V CB 1.918 33.734 31.823 -0.012 0.000 1.056 292 V HN 0.882 nan 8.190 nan 0.000 0.436 293 N N 0.199 118.699 118.700 -0.333 0.000 2.372 293 N HA 0.771 5.511 4.740 -0.000 0.000 0.291 293 N C -1.391 173.808 175.510 -0.518 0.000 1.024 293 N CA -0.556 52.119 53.050 -0.624 0.000 0.873 293 N CB 2.260 40.205 38.487 -0.904 0.000 1.206 293 N HN 0.618 nan 8.380 nan 0.000 0.486 294 V N 1.784 121.384 119.914 -0.522 0.000 2.789 294 V HA 0.490 4.610 4.120 -0.000 0.000 0.311 294 V C -0.412 175.494 176.094 -0.314 0.000 1.073 294 V CA -0.771 61.214 62.300 -0.525 0.000 0.921 294 V CB 2.104 33.415 31.823 -0.854 0.000 1.009 294 V HN 0.645 nan 8.190 nan 0.000 0.426 295 R N 2.331 122.683 120.500 -0.247 0.000 2.435 295 R HA 0.513 4.853 4.340 -0.000 0.000 0.308 295 R C -0.112 176.176 176.300 -0.021 0.000 0.975 295 R CA -0.272 55.788 56.100 -0.068 0.000 0.867 295 R CB 1.637 31.936 30.300 -0.003 0.000 1.171 295 R HN 0.936 nan 8.270 nan 0.000 0.470 296 T N 1.272 115.853 114.554 0.046 0.000 2.918 296 T HA 0.655 5.005 4.350 -0.000 0.000 0.302 296 T C 0.100 174.842 174.700 0.070 0.000 1.045 296 T CA -0.065 62.117 62.100 0.136 0.000 1.114 296 T CB 1.510 70.468 68.868 0.149 0.000 0.965 296 T HN 0.715 nan 8.240 nan 0.000 0.540 297 A N 3.075 125.934 122.820 0.064 0.000 2.515 297 A HA 0.731 5.051 4.320 -0.000 0.000 0.292 297 A C -3.148 174.441 177.584 0.009 0.000 1.065 297 A CA -1.641 50.404 52.037 0.013 0.000 0.641 297 A CB 0.181 19.187 19.000 0.011 0.000 1.306 297 A HN 0.659 nan 8.150 nan 0.000 0.441 298 P HA 0.281 nan 4.420 nan 0.000 0.269 298 P C -0.359 176.968 177.300 0.046 0.000 1.215 298 P CA 0.304 63.413 63.100 0.016 0.000 0.780 298 P CB 0.132 31.834 31.700 0.003 0.000 0.898 299 H N 3.666 122.724 119.070 -0.020 0.000 3.038 299 H HA -0.006 4.550 4.556 -0.000 0.000 0.338 299 H C -1.315 174.006 175.328 -0.011 0.000 1.041 299 H CA -0.374 55.663 56.048 -0.018 0.000 1.394 299 H CB 0.227 29.980 29.762 -0.016 0.000 1.357 299 H HN 0.303 nan 8.280 nan 0.000 0.600 300 P HA 0.193 nan 4.420 nan 0.000 0.254 300 P C -0.530 176.522 177.300 -0.414 0.000 1.494 300 P CA -0.012 62.417 63.100 -1.119 0.000 0.961 300 P CB 0.012 31.211 31.700 -0.835 0.000 1.493 301 A N 0.406 123.119 122.820 -0.179 0.000 2.292 301 A HA 0.274 4.594 4.320 -0.000 0.000 0.265 301 A C -0.206 177.387 177.584 0.014 0.000 1.133 301 A CA -0.468 51.540 52.037 -0.049 0.000 0.807 301 A CB -0.456 18.541 19.000 -0.006 0.000 1.102 301 A HN 0.182 nan 8.150 nan 0.000 0.502 302 F N 1.137 121.033 119.950 -0.090 0.000 2.578 302 F HA 0.356 4.883 4.527 -0.000 0.000 0.376 302 F C -1.946 173.822 175.800 -0.053 0.000 1.085 302 F CA -1.637 56.303 58.000 -0.099 0.000 1.260 302 F CB 0.584 39.486 39.000 -0.164 0.000 1.095 302 F HN 0.199 nan 8.300 nan 0.000 0.573 303 P HA 0.089 nan 4.420 nan 0.000 0.285 303 P C 0.375 177.671 177.300 -0.007 0.000 1.259 303 P CA -0.295 62.728 63.100 -0.127 0.000 0.794 303 P CB 1.482 33.068 31.700 -0.191 0.000 0.940 304 T N 0.818 115.423 114.554 0.086 0.000 2.803 304 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 304 T C 0.982 175.754 174.700 0.120 0.000 1.052 304 T CA 1.739 63.925 62.100 0.143 0.000 1.136 304 T CB -0.789 68.171 68.868 0.153 0.000 0.864 304 T HN 0.291 nan 8.240 nan 0.000 0.467 305 D N 0.289 120.729 120.400 0.067 0.000 2.384 305 D HA 0.011 4.651 4.640 -0.000 0.000 0.222 305 D C 1.372 177.689 176.300 0.028 0.000 0.976 305 D CA 0.624 54.648 54.000 0.040 0.000 0.915 305 D CB 0.002 40.811 40.800 0.015 0.000 0.896 305 D HN 0.404 nan 8.370 nan 0.000 0.523 306 M N -0.226 119.380 119.600 0.010 0.000 2.313 306 M HA 0.054 4.534 4.480 -0.000 0.000 0.273 306 M C 1.611 178.125 176.300 0.356 0.000 1.049 306 M CA 0.107 55.459 55.300 0.085 0.000 1.004 306 M CB 0.458 32.945 32.600 -0.188 0.000 1.461 306 M HN -0.009 nan 8.290 nan 0.000 0.514 307 Q N 1.030 121.027 119.800 0.329 0.000 2.079 307 Q HA -0.092 4.247 4.340 -0.000 0.000 0.200 307 Q C 1.698 177.830 176.000 0.221 0.000 0.974 307 Q CA 2.045 58.068 55.803 0.366 0.000 0.840 307 Q CB 0.097 28.985 28.738 0.251 0.000 0.898 307 Q HN 0.443 nan 8.270 nan 0.000 0.430 308 A N 0.619 123.415 122.820 -0.041 0.000 1.902 308 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 308 A C 2.021 179.570 177.584 -0.058 0.000 1.181 308 A CA 1.644 53.453 52.037 -0.380 0.000 0.623 308 A CB -0.490 18.014 19.000 -0.827 0.000 0.818 308 A HN 0.466 nan 8.150 nan 0.000 0.443 309 Q N -1.052 118.768 119.800 0.034 0.000 2.061 309 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 309 Q C 1.653 177.686 176.000 0.057 0.000 0.984 309 Q CA 1.836 57.660 55.803 0.035 0.000 0.846 309 Q CB -0.493 28.270 28.738 0.042 0.000 0.902 309 Q HN 0.690 nan 8.270 nan 0.000 0.421 310 F N 0.033 120.056 119.950 0.121 0.000 2.407 310 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 310 F C 2.148 177.991 175.800 0.072 0.000 1.097 310 F CA 1.125 59.193 58.000 0.113 0.000 1.422 310 F CB -0.275 38.822 39.000 0.163 0.000 1.067 310 F HN 0.033 nan 8.300 nan 0.000 0.539 311 T N 0.427 115.134 114.554 0.254 0.000 2.746 311 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 311 T C 2.007 176.786 174.700 0.131 0.000 1.039 311 T CA 1.328 63.559 62.100 0.217 0.000 1.142 311 T CB -0.491 68.588 68.868 0.352 0.000 0.866 311 T HN 0.151 nan 8.240 nan 0.000 0.444 312 L N 1.193 122.470 121.223 0.090 0.000 2.027 312 L HA 0.117 4.457 4.340 -0.000 0.000 0.206 312 L C 2.211 179.075 176.870 -0.010 0.000 1.074 312 L CA 1.417 56.276 54.840 0.033 0.000 0.745 312 L CB -0.930 41.127 42.059 -0.003 0.000 0.898 312 L HN 0.245 nan 8.230 nan 0.000 0.433 313 L N -0.136 121.051 121.223 -0.059 0.000 1.978 313 L HA -0.325 4.015 4.340 -0.000 0.000 0.218 313 L C 2.292 179.147 176.870 -0.024 0.000 1.075 313 L CA 2.116 56.901 54.840 -0.093 0.000 0.767 313 L CB -0.658 41.264 42.059 -0.228 0.000 0.890 313 L HN 0.396 nan 8.230 nan 0.000 0.434 314 N N -0.150 118.561 118.700 0.019 0.000 2.205 314 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 314 N C 1.783 177.307 175.510 0.024 0.000 1.015 314 N CA 1.502 54.569 53.050 0.029 0.000 0.862 314 N CB -0.418 38.093 38.487 0.041 0.000 0.986 314 N HN 0.400 nan 8.380 nan 0.000 0.429 315 L N 0.149 121.388 121.223 0.026 0.000 2.376 315 L HA -0.026 4.314 4.340 -0.000 0.000 0.219 315 L C 1.380 178.255 176.870 0.008 0.000 1.133 315 L CA 0.482 55.336 54.840 0.023 0.000 0.816 315 L CB 0.045 42.119 42.059 0.024 0.000 0.933 315 L HN 0.072 nan 8.230 nan 0.000 0.449 316 V N -4.861 115.053 119.914 0.001 0.000 3.276 316 V HA 0.530 4.650 4.120 -0.000 0.000 0.319 316 V C 0.742 176.838 176.094 0.003 0.000 1.427 316 V CA -0.228 62.069 62.300 -0.005 0.000 1.102 316 V CB -0.367 31.445 31.823 -0.018 0.000 1.020 316 V HN 0.096 nan 8.190 nan 0.000 0.456 317 A N 0.272 123.099 122.820 0.012 0.000 2.239 317 A HA 0.668 4.988 4.320 -0.000 0.000 0.303 317 A C 0.045 177.647 177.584 0.030 0.000 1.114 317 A CA -0.589 51.457 52.037 0.016 0.000 0.871 317 A CB 0.618 19.627 19.000 0.015 0.000 1.201 317 A HN 0.493 nan 8.150 nan 0.000 0.506 318 E N -0.484 119.733 120.200 0.029 0.000 2.105 318 E HA 0.459 4.809 4.350 -0.000 0.000 0.285 318 E C 0.477 177.102 176.600 0.042 0.000 1.055 318 E CA 0.926 57.347 56.400 0.036 0.000 0.843 318 E CB 0.296 30.014 29.700 0.030 0.000 1.067 318 E HN 1.318 nan 8.360 nan 0.000 0.398 319 G N 2.715 111.550 108.800 0.059 0.000 2.500 319 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.209 319 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.209 319 G C -0.584 174.367 174.900 0.086 0.000 1.283 319 G CA -0.573 44.568 45.100 0.070 0.000 0.960 319 G HN 0.483 nan 8.290 nan 0.000 0.528 320 T N 0.610 115.213 114.554 0.083 0.000 2.797 320 T HA 0.730 5.080 4.350 -0.000 0.000 0.279 320 T C 0.434 175.145 174.700 0.019 0.000 0.991 320 T CA 0.470 62.604 62.100 0.057 0.000 0.979 320 T CB 1.546 70.486 68.868 0.121 0.000 0.943 320 T HN 1.744 nan 8.240 nan 0.000 0.444 321 G N 2.117 110.905 108.800 -0.020 0.000 2.620 321 G HA2 0.719 4.679 3.960 -0.000 0.000 0.301 321 G HA3 0.719 4.679 3.960 -0.000 0.000 0.301 321 G C -1.288 173.614 174.900 0.004 0.000 1.347 321 G CA -0.924 44.149 45.100 -0.046 0.000 0.971 321 G HN 0.658 nan 8.290 nan 0.000 0.488 322 F N -0.016 119.898 119.950 -0.060 0.000 2.538 322 F HA 0.860 5.387 4.527 -0.000 0.000 0.325 322 F C -0.675 175.096 175.800 -0.047 0.000 1.066 322 F CA -1.708 56.255 58.000 -0.063 0.000 0.946 322 F CB 1.783 40.743 39.000 -0.065 0.000 1.199 322 F HN 0.275 nan 8.300 nan 0.000 0.473 323 I N 2.407 123.106 120.570 0.214 0.000 2.439 323 I HA 0.293 4.463 4.170 -0.000 0.000 0.285 323 I C -0.906 175.375 176.117 0.274 0.000 1.021 323 I CA -0.528 60.858 61.300 0.143 0.000 1.091 323 I CB 2.203 40.289 38.000 0.144 0.000 1.242 323 I HN 0.701 nan 8.210 nan 0.000 0.439 324 T N 4.358 119.060 114.554 0.245 0.000 2.794 324 T HA 0.292 4.642 4.350 -0.000 0.000 0.280 324 T C -0.350 174.473 174.700 0.205 0.000 0.987 324 T CA -0.440 61.809 62.100 0.248 0.000 0.993 324 T CB 1.642 70.644 68.868 0.222 0.000 0.939 324 T HN 0.476 nan 8.240 nan 0.000 0.449 325 E N 1.689 122.045 120.200 0.260 0.000 2.113 325 E HA 0.382 4.732 4.350 -0.000 0.000 0.273 325 E C 0.803 177.465 176.600 0.102 0.000 0.924 325 E CA -0.611 55.886 56.400 0.162 0.000 0.764 325 E CB 0.803 30.563 29.700 0.100 0.000 1.104 325 E HN 0.648 nan 8.360 nan 0.000 0.406 326 T N 0.567 115.149 114.554 0.046 0.000 3.044 326 T HA 0.156 4.506 4.350 -0.000 0.000 0.260 326 T C 0.948 175.611 174.700 -0.061 0.000 1.019 326 T CA 0.407 62.513 62.100 0.010 0.000 0.921 326 T CB 0.188 69.062 68.868 0.010 0.000 1.053 326 T HN 0.205 nan 8.240 nan 0.000 0.533 327 V N -0.294 119.548 119.914 -0.121 0.000 2.627 327 V HA 0.427 4.547 4.120 -0.000 0.000 0.239 327 V C 0.037 175.836 176.094 -0.491 0.000 1.077 327 V CA 0.330 62.423 62.300 -0.344 0.000 1.103 327 V CB -0.156 31.404 31.823 -0.438 0.000 0.802 327 V HN 0.430 nan 8.190 nan 0.000 0.482 328 F N 0.755 120.687 119.950 -0.030 0.000 2.443 328 F HA 0.451 4.978 4.527 -0.000 0.000 0.369 328 F C 1.099 176.851 175.800 -0.079 0.000 1.090 328 F CA -1.069 56.899 58.000 -0.053 0.000 1.129 328 F CB 0.675 39.630 39.000 -0.076 0.000 1.367 328 F HN 0.047 nan 8.300 nan 0.000 0.465 329 E N 0.736 121.014 120.200 0.131 0.000 2.418 329 E HA -0.083 4.267 4.350 -0.000 0.000 0.197 329 E C 0.449 177.137 176.600 0.147 0.000 1.026 329 E CA 0.612 57.085 56.400 0.122 0.000 0.862 329 E CB 0.072 29.841 29.700 0.114 0.000 0.799 329 E HN 0.434 nan 8.360 nan 0.000 0.518 330 N N 0.780 119.534 118.700 0.091 0.000 2.328 330 N HA 0.035 4.775 4.740 -0.000 0.000 0.247 330 N C -0.243 175.252 175.510 -0.025 0.000 1.165 330 N CA 0.017 53.125 53.050 0.097 0.000 0.873 330 N CB 0.484 39.018 38.487 0.079 0.000 1.125 330 N HN -0.045 nan 8.380 nan 0.000 0.513 331 R N 0.663 121.007 120.500 -0.260 0.000 4.071 331 R HA 0.197 4.537 4.340 -0.000 0.000 0.220 331 R C -0.628 175.387 176.300 -0.475 0.000 1.614 331 R CA 0.013 55.935 56.100 -0.297 0.000 1.505 331 R CB -0.502 29.676 30.300 -0.204 0.000 1.384 331 R HN -0.045 nan 8.270 nan 0.000 0.758 332 F N 0.085 120.058 119.950 0.038 0.000 2.880 332 F HA 0.184 4.711 4.527 -0.000 0.000 0.328 332 F C 1.296 176.894 175.800 -0.337 0.000 1.146 332 F CA -0.365 57.507 58.000 -0.213 0.000 1.135 332 F CB 0.355 39.269 39.000 -0.144 0.000 1.151 332 F HN 0.207 nan 8.300 nan 0.000 0.523 333 M N -0.235 119.377 119.600 0.020 0.000 2.267 333 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 333 M C 2.184 178.483 176.300 -0.002 0.000 1.063 333 M CA 1.876 57.181 55.300 0.008 0.000 1.090 333 M CB -0.798 31.814 32.600 0.019 0.000 1.392 333 M HN 0.447 nan 8.290 nan 0.000 0.422 334 H N -1.537 117.570 119.070 0.062 0.000 2.421 334 H HA -0.047 4.509 4.556 -0.000 0.000 0.298 334 H C 1.880 177.249 175.328 0.069 0.000 1.087 334 H CA 1.154 57.234 56.048 0.053 0.000 1.330 334 H CB -0.990 28.805 29.762 0.056 0.000 1.388 334 H HN 0.100 nan 8.280 nan 0.000 0.526 335 V N 1.833 121.576 119.914 -0.284 0.000 2.233 335 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 335 V C -0.239 175.834 176.094 -0.036 0.000 1.050 335 V CA 2.270 64.495 62.300 -0.125 0.000 1.010 335 V CB -1.250 30.471 31.823 -0.169 0.000 0.637 335 V HN 0.458 nan 8.190 nan 0.000 0.444 336 P HA -0.140 nan 4.420 nan 0.000 0.216 336 P C 1.552 178.857 177.300 0.009 0.000 1.150 336 P CA 1.296 64.392 63.100 -0.008 0.000 0.837 336 P CB -0.073 31.623 31.700 -0.007 0.000 0.786 337 E N -0.177 120.034 120.200 0.017 0.000 2.051 337 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 337 E C 2.200 178.817 176.600 0.028 0.000 0.991 337 E CA 0.990 57.406 56.400 0.027 0.000 0.799 337 E CB -1.030 28.693 29.700 0.039 0.000 0.748 337 E HN 0.320 nan 8.360 nan 0.000 0.449 338 L N 1.005 122.251 121.223 0.039 0.000 2.131 338 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 338 L C 2.454 179.331 176.870 0.011 0.000 1.092 338 L CA 0.800 55.659 54.840 0.032 0.000 0.759 338 L CB -0.354 41.738 42.059 0.055 0.000 0.903 338 L HN 0.015 nan 8.230 nan 0.000 0.435 339 S N -0.407 115.302 115.700 0.014 0.000 2.419 339 S HA -0.120 4.350 4.470 -0.000 0.000 0.233 339 S C 1.977 176.583 174.600 0.010 0.000 1.016 339 S CA 0.968 59.177 58.200 0.015 0.000 0.974 339 S CB -0.168 63.048 63.200 0.026 0.000 0.786 339 S HN 0.402 nan 8.310 nan 0.000 0.492 340 R N 0.538 121.045 120.500 0.011 0.000 2.189 340 R HA 0.121 4.461 4.340 -0.000 0.000 0.223 340 R C 1.458 177.760 176.300 0.003 0.000 1.092 340 R CA 0.888 56.994 56.100 0.011 0.000 0.989 340 R CB -0.244 30.063 30.300 0.013 0.000 0.876 340 R HN 0.441 nan 8.270 nan 0.000 0.457 341 M N -0.620 118.978 119.600 -0.004 0.000 2.431 341 M HA 0.186 4.666 4.480 -0.000 0.000 0.237 341 M C 0.618 176.896 176.300 -0.038 0.000 1.130 341 M CA 0.330 55.622 55.300 -0.013 0.000 1.002 341 M CB 1.243 33.838 32.600 -0.009 0.000 1.524 341 M HN 0.385 nan 8.290 nan 0.000 0.482 342 G N 0.738 109.509 108.800 -0.049 0.000 2.157 342 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.239 342 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.239 342 G C 0.189 174.940 174.900 -0.249 0.000 0.982 342 G CA -0.030 45.005 45.100 -0.109 0.000 0.650 342 G HN 0.665 nan 8.290 nan 0.000 0.527 343 A N 0.311 123.038 122.820 -0.155 0.000 2.425 343 A HA 0.597 4.917 4.320 -0.000 0.000 0.242 343 A C 0.147 177.649 177.584 -0.138 0.000 1.077 343 A CA 0.019 51.956 52.037 -0.167 0.000 0.781 343 A CB 0.203 19.176 19.000 -0.044 0.000 1.020 343 A HN 0.513 nan 8.150 nan 0.000 0.494 344 H N 0.319 119.427 119.070 0.063 0.000 2.718 344 H HA 0.641 5.197 4.556 -0.000 0.000 0.295 344 H C -0.120 175.277 175.328 0.115 0.000 1.051 344 H CA 0.215 56.319 56.048 0.095 0.000 1.260 344 H CB 0.922 30.762 29.762 0.129 0.000 1.403 344 H HN 0.866 nan 8.280 nan 0.000 0.488 345 A N 3.275 126.207 122.820 0.187 0.000 2.539 345 A HA 0.619 4.939 4.320 -0.000 0.000 0.296 345 A C -0.744 176.868 177.584 0.047 0.000 1.073 345 A CA -0.926 51.159 52.037 0.081 0.000 0.700 345 A CB 2.206 21.216 19.000 0.016 0.000 1.296 345 A HN 0.603 nan 8.150 nan 0.000 0.405 346 E N 1.424 121.622 120.200 -0.003 0.000 2.288 346 E HA 0.624 4.974 4.350 -0.000 0.000 0.268 346 E C -1.411 175.115 176.600 -0.123 0.000 0.885 346 E CA -0.629 55.747 56.400 -0.040 0.000 0.767 346 E CB 1.944 31.641 29.700 -0.006 0.000 1.220 346 E HN 0.493 nan 8.360 nan 0.000 0.427 347 I N 1.734 122.211 120.570 -0.155 0.000 2.330 347 I HA 0.172 4.342 4.170 -0.000 0.000 0.289 347 I C -0.159 175.854 176.117 -0.173 0.000 1.001 347 I CA -0.625 60.522 61.300 -0.254 0.000 1.193 347 I CB 1.112 38.923 38.000 -0.315 0.000 1.345 347 I HN 0.236 nan 8.210 nan 0.000 0.461 348 E N 5.151 125.249 120.200 -0.171 0.000 2.102 348 E HA 0.321 4.671 4.350 -0.000 0.000 0.263 348 E C 0.243 176.782 176.600 -0.102 0.000 0.894 348 E CA -0.062 56.269 56.400 -0.115 0.000 0.746 348 E CB 1.723 31.359 29.700 -0.106 0.000 1.129 348 E HN 0.747 nan 8.360 nan 0.000 0.416 349 S N 4.043 119.705 115.700 -0.063 0.000 4.138 349 S HA -0.359 4.111 4.470 -0.000 0.000 0.574 349 S C 0.664 175.272 174.600 0.013 0.000 1.895 349 S CA 2.267 60.457 58.200 -0.018 0.000 4.239 349 S CB -1.101 62.090 63.200 -0.015 0.000 0.264 349 S HN 0.828 nan 8.310 nan 0.000 0.489 350 N N 0.467 119.202 118.700 0.058 0.000 2.380 350 N HA 0.397 5.136 4.740 -0.000 0.000 0.255 350 N C -0.681 174.933 175.510 0.174 0.000 1.158 350 N CA 0.073 53.244 53.050 0.203 0.000 0.878 350 N CB 0.972 39.590 38.487 0.218 0.000 1.138 350 N HN 0.307 nan 8.380 nan 0.000 0.509 351 T N 0.281 114.806 114.554 -0.048 0.000 2.881 351 T HA 0.280 4.630 4.350 -0.000 0.000 0.290 351 T C -1.082 173.462 174.700 -0.260 0.000 1.000 351 T CA -0.678 61.387 62.100 -0.060 0.000 0.978 351 T CB 2.299 71.123 68.868 -0.073 0.000 0.997 351 T HN 0.036 nan 8.240 nan 0.000 0.443 352 V N 5.539 125.307 119.914 -0.244 0.000 2.394 352 V HA 0.607 4.727 4.120 -0.000 0.000 0.282 352 V C -0.680 175.373 176.094 -0.069 0.000 1.031 352 V CA -0.808 61.334 62.300 -0.264 0.000 0.881 352 V CB 0.465 32.116 31.823 -0.286 0.000 0.982 352 V HN 0.815 nan 8.190 nan 0.000 0.451 353 I N 7.131 127.642 120.570 -0.098 0.000 2.312 353 I HA 0.399 4.569 4.170 -0.000 0.000 0.290 353 I C -0.294 175.694 176.117 -0.214 0.000 1.008 353 I CA -0.291 60.951 61.300 -0.097 0.000 1.226 353 I CB 1.000 38.939 38.000 -0.102 0.000 1.371 353 I HN 0.524 nan 8.210 nan 0.000 0.468 354 C N 5.192 124.354 119.300 -0.231 0.000 2.355 354 C HA 0.463 4.923 4.460 -0.000 0.000 0.332 354 C C 0.014 174.755 174.990 -0.416 0.000 1.255 354 C CA -0.665 58.217 59.018 -0.227 0.000 1.792 354 C CB 0.435 28.140 27.740 -0.058 0.000 2.300 354 C HN 0.620 nan 8.230 nan 0.000 0.515 355 H N 1.370 120.494 119.070 0.089 0.000 2.725 355 H HA 0.306 4.862 4.556 -0.000 0.000 0.283 355 H C 0.636 176.023 175.328 0.099 0.000 1.110 355 H CA -0.005 56.099 56.048 0.094 0.000 1.289 355 H CB 0.942 30.766 29.762 0.103 0.000 1.400 355 H HN 0.965 nan 8.280 nan 0.000 0.493 356 G N 1.909 110.791 108.800 0.136 0.000 2.568 356 G HA2 0.197 4.157 3.960 -0.000 0.000 0.231 356 G HA3 0.197 4.157 3.960 -0.000 0.000 0.231 356 G C 0.085 175.042 174.900 0.095 0.000 1.261 356 G CA -0.086 45.067 45.100 0.087 0.000 0.855 356 G HN 0.371 nan 8.290 nan 0.000 0.576 357 V N 0.764 120.702 119.914 0.039 0.000 3.046 357 V HA 0.319 4.439 4.120 -0.000 0.000 0.316 357 V C 1.126 177.226 176.094 0.009 0.000 1.104 357 V CA -0.638 61.675 62.300 0.021 0.000 1.006 357 V CB 1.926 33.711 31.823 -0.063 0.000 1.058 357 V HN 0.889 nan 8.190 nan 0.000 0.440 358 E N 1.487 121.693 120.200 0.010 0.000 2.028 358 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 358 E C 0.253 176.850 176.600 -0.005 0.000 0.984 358 E CA 1.078 57.482 56.400 0.007 0.000 0.800 358 E CB 0.305 30.012 29.700 0.011 0.000 0.758 358 E HN 0.714 nan 8.360 nan 0.000 0.448 359 K N -0.591 119.801 120.400 -0.014 0.000 2.527 359 K HA 0.419 4.738 4.320 -0.000 0.000 0.260 359 K C -0.691 175.889 176.600 -0.034 0.000 0.937 359 K CA -0.644 55.631 56.287 -0.020 0.000 0.826 359 K CB 1.313 33.806 32.500 -0.012 0.000 1.359 359 K HN -0.143 nan 8.250 nan 0.000 0.434 360 L N 1.050 122.253 121.223 -0.033 0.000 2.431 360 L HA 0.456 4.796 4.340 -0.000 0.000 0.260 360 L C -0.188 176.666 176.870 -0.026 0.000 1.098 360 L CA -0.932 53.884 54.840 -0.039 0.000 0.800 360 L CB 1.750 43.788 42.059 -0.035 0.000 1.210 360 L HN 0.725 nan 8.230 nan 0.000 0.465 361 S N -0.562 115.123 115.700 -0.024 0.000 2.482 361 S HA 0.530 5.000 4.470 -0.000 0.000 0.303 361 S C 0.099 174.694 174.600 -0.008 0.000 1.091 361 S CA -0.779 57.413 58.200 -0.013 0.000 1.057 361 S CB 1.652 64.845 63.200 -0.010 0.000 1.031 361 S HN 0.800 nan 8.310 nan 0.000 0.485 362 G N 1.180 109.978 108.800 -0.003 0.000 2.484 362 G HA2 0.492 4.452 3.960 -0.000 0.000 0.235 362 G HA3 0.492 4.452 3.960 -0.000 0.000 0.235 362 G C -0.174 174.730 174.900 0.006 0.000 1.282 362 G CA 0.183 45.284 45.100 0.002 0.000 0.857 362 G HN 1.108 nan 8.290 nan 0.000 0.571 363 A N 1.641 124.467 122.820 0.010 0.000 2.564 363 A HA 0.652 4.972 4.320 -0.000 0.000 0.291 363 A C -0.625 176.970 177.584 0.018 0.000 1.102 363 A CA -0.802 51.243 52.037 0.012 0.000 0.660 363 A CB 0.834 19.840 19.000 0.010 0.000 1.283 363 A HN 0.682 nan 8.150 nan 0.000 0.430 364 Q N 0.439 120.250 119.800 0.018 0.000 2.295 364 Q HA 0.495 4.835 4.340 -0.000 0.000 0.259 364 Q C -0.119 175.894 176.000 0.021 0.000 0.976 364 Q CA -0.445 55.371 55.803 0.021 0.000 0.923 364 Q CB 1.263 30.012 28.738 0.020 0.000 1.185 364 Q HN 0.955 nan 8.270 nan 0.000 0.410 365 V N -0.305 119.623 119.914 0.024 0.000 3.102 365 V HA 0.688 4.808 4.120 -0.000 0.000 0.312 365 V C -0.761 175.345 176.094 0.020 0.000 1.135 365 V CA -1.268 61.046 62.300 0.022 0.000 1.022 365 V CB 2.280 34.118 31.823 0.025 0.000 1.056 365 V HN 0.846 nan 8.190 nan 0.000 0.436 366 M N 2.816 122.425 119.600 0.014 0.000 2.190 366 M HA 0.798 5.278 4.480 -0.000 0.000 0.312 366 M C -0.166 176.127 176.300 -0.013 0.000 0.990 366 M CA -0.569 54.735 55.300 0.006 0.000 0.927 366 M CB 1.452 34.058 32.600 0.010 0.000 1.571 366 M HN 1.206 nan 8.290 nan 0.000 0.427 367 A N 2.901 125.705 122.820 -0.026 0.000 2.371 367 A HA 0.612 4.932 4.320 -0.000 0.000 0.257 367 A C 0.653 178.127 177.584 -0.183 0.000 1.089 367 A CA 0.175 52.172 52.037 -0.067 0.000 0.794 367 A CB 0.205 19.178 19.000 -0.045 0.000 1.029 367 A HN 0.967 nan 8.150 nan 0.000 0.488 368 T N -2.462 111.869 114.554 -0.370 0.000 3.147 368 T HA 0.188 4.538 4.350 -0.000 0.000 0.275 368 T C -0.342 173.888 174.700 -0.783 0.000 0.879 368 T CA 0.391 62.051 62.100 -0.732 0.000 0.863 368 T CB 0.038 68.715 68.868 -0.318 0.000 1.236 368 T HN 0.586 nan 8.240 nan 0.000 0.582 369 D N 1.109 121.269 120.400 -0.400 0.000 2.549 369 D HA 0.317 4.957 4.640 -0.000 0.000 0.251 369 D C 1.054 177.303 176.300 -0.085 0.000 1.153 369 D CA -0.642 53.227 54.000 -0.219 0.000 0.861 369 D CB 2.084 42.805 40.800 -0.131 0.000 1.207 369 D HN -0.027 nan 8.370 nan 0.000 0.543 370 L N 4.656 125.860 121.223 -0.031 0.000 2.151 370 L HA -0.245 4.095 4.340 -0.000 0.000 0.219 370 L C 1.875 178.798 176.870 0.088 0.000 1.083 370 L CA 1.978 56.845 54.840 0.046 0.000 0.782 370 L CB -0.056 42.007 42.059 0.006 0.000 0.891 370 L HN 0.442 nan 8.230 nan 0.000 0.439 371 R N -2.312 118.220 120.500 0.055 0.000 2.194 371 R HA 0.325 4.665 4.340 -0.000 0.000 0.194 371 R C 2.054 178.432 176.300 0.130 0.000 0.985 371 R CA 0.953 57.141 56.100 0.148 0.000 1.104 371 R CB -0.990 29.330 30.300 0.033 0.000 1.092 371 R HN 0.358 nan 8.270 nan 0.000 0.555 372 A N 1.095 123.918 122.820 0.004 0.000 1.940 372 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 372 A C 2.082 179.619 177.584 -0.078 0.000 1.176 372 A CA 1.908 53.894 52.037 -0.086 0.000 0.631 372 A CB -0.479 18.441 19.000 -0.134 0.000 0.814 372 A HN 0.228 nan 8.150 nan 0.000 0.446 373 S N -0.261 115.420 115.700 -0.031 0.000 2.507 373 S HA 0.104 4.574 4.470 -0.000 0.000 0.235 373 S C 2.046 176.623 174.600 -0.039 0.000 0.988 373 S CA 0.692 58.877 58.200 -0.025 0.000 0.944 373 S CB -0.322 62.858 63.200 -0.033 0.000 0.762 373 S HN 0.782 nan 8.310 nan 0.000 0.526 374 A N 1.973 124.748 122.820 -0.075 0.000 2.024 374 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 374 A C 2.306 179.784 177.584 -0.176 0.000 1.164 374 A CA 1.856 53.759 52.037 -0.224 0.000 0.643 374 A CB -0.903 17.787 19.000 -0.517 0.000 0.806 374 A HN 0.643 nan 8.150 nan 0.000 0.451 375 S N -0.062 115.567 115.700 -0.118 0.000 2.419 375 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 375 S C 1.783 176.354 174.600 -0.050 0.000 1.016 375 S CA 1.341 59.487 58.200 -0.090 0.000 0.974 375 S CB -0.677 62.479 63.200 -0.074 0.000 0.786 375 S HN 0.502 nan 8.310 nan 0.000 0.492 376 L N 0.908 122.116 121.223 -0.026 0.000 2.109 376 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 376 L C 2.661 179.526 176.870 -0.009 0.000 1.086 376 L CA 0.796 55.637 54.840 0.002 0.000 0.760 376 L CB -0.726 41.347 42.059 0.022 0.000 0.910 376 L HN 0.246 nan 8.230 nan 0.000 0.437 377 V N -0.253 119.645 119.914 -0.027 0.000 2.307 377 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 377 V C 2.453 178.496 176.094 -0.086 0.000 1.045 377 V CA 1.310 63.583 62.300 -0.045 0.000 1.024 377 V CB -0.418 31.354 31.823 -0.084 0.000 0.651 377 V HN 0.219 nan 8.190 nan 0.000 0.449 378 L N 0.707 121.863 121.223 -0.112 0.000 2.013 378 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 378 L C 2.660 179.489 176.870 -0.067 0.000 1.073 378 L CA 2.375 57.151 54.840 -0.105 0.000 0.753 378 L CB -1.306 40.677 42.059 -0.126 0.000 0.890 378 L HN 0.303 nan 8.230 nan 0.000 0.432 379 A N -0.570 122.221 122.820 -0.049 0.000 1.917 379 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 379 A C 2.440 180.008 177.584 -0.027 0.000 1.182 379 A CA 1.885 53.904 52.037 -0.030 0.000 0.633 379 A CB -1.467 17.526 19.000 -0.012 0.000 0.819 379 A HN 0.467 nan 8.150 nan 0.000 0.448 380 G N -0.979 107.806 108.800 -0.025 0.000 2.442 380 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 380 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 380 G C 1.556 176.438 174.900 -0.030 0.000 1.141 380 G CA 1.323 46.412 45.100 -0.019 0.000 0.763 380 G HN 0.545 nan 8.290 nan 0.000 0.554 381 C N 0.704 119.977 119.300 -0.044 0.000 2.422 381 C HA 0.025 4.485 4.460 -0.000 0.000 0.279 381 C C 2.604 177.575 174.990 -0.032 0.000 1.305 381 C CA 0.886 59.878 59.018 -0.044 0.000 1.757 381 C CB -0.922 26.787 27.740 -0.052 0.000 1.962 381 C HN 0.665 nan 8.230 nan 0.000 0.499 382 I N -1.305 119.246 120.570 -0.031 0.000 4.018 382 I HA 0.396 4.566 4.170 -0.000 0.000 0.337 382 I C 0.991 177.095 176.117 -0.021 0.000 1.327 382 I CA -0.128 61.156 61.300 -0.026 0.000 1.100 382 I CB -0.360 37.623 38.000 -0.029 0.000 1.025 382 I HN 0.073 nan 8.210 nan 0.000 0.396 383 A N 1.685 124.493 122.820 -0.020 0.000 2.287 383 A HA 0.345 4.665 4.320 -0.000 0.000 0.273 383 A C -0.087 177.489 177.584 -0.013 0.000 1.091 383 A CA -0.242 51.785 52.037 -0.017 0.000 0.817 383 A CB 0.373 19.364 19.000 -0.014 0.000 1.069 383 A HN 0.404 nan 8.150 nan 0.000 0.492 384 E N 0.044 120.237 120.200 -0.011 0.000 2.052 384 E HA 0.472 4.822 4.350 -0.000 0.000 0.283 384 E C 0.683 177.281 176.600 -0.004 0.000 1.071 384 E CA 1.340 57.735 56.400 -0.007 0.000 0.851 384 E CB -0.304 29.392 29.700 -0.006 0.000 1.066 384 E HN 1.483 nan 8.360 nan 0.000 0.396 385 G N 3.131 111.929 108.800 -0.004 0.000 2.443 385 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.209 385 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.209 385 G C -0.556 174.345 174.900 0.001 0.000 1.176 385 G CA -0.339 44.761 45.100 -0.000 0.000 1.074 385 G HN 0.549 nan 8.290 nan 0.000 0.577 386 T N 1.568 116.125 114.554 0.005 0.000 2.770 386 T HA 0.664 5.014 4.350 -0.000 0.000 0.283 386 T C -0.274 174.434 174.700 0.013 0.000 0.988 386 T CA 0.245 62.350 62.100 0.010 0.000 0.957 386 T CB 1.491 70.366 68.868 0.013 0.000 0.930 386 T HN 0.699 nan 8.240 nan 0.000 0.443 387 T N 2.932 117.496 114.554 0.017 0.000 2.797 387 T HA 0.501 4.851 4.350 -0.000 0.000 0.279 387 T C -0.266 174.458 174.700 0.041 0.000 0.991 387 T CA -0.520 61.594 62.100 0.024 0.000 0.979 387 T CB 1.189 70.068 68.868 0.019 0.000 0.943 387 T HN 0.308 nan 8.240 nan 0.000 0.444 388 V N 4.272 124.212 119.914 0.043 0.000 2.334 388 V HA 0.311 4.431 4.120 -0.000 0.000 0.281 388 V C -0.048 176.081 176.094 0.058 0.000 1.016 388 V CA -0.759 61.575 62.300 0.056 0.000 0.832 388 V CB 1.472 33.321 31.823 0.042 0.000 0.999 388 V HN 0.721 nan 8.190 nan 0.000 0.439 389 V N 4.307 124.274 119.914 0.088 0.000 2.353 389 V HA 0.261 4.381 4.120 -0.000 0.000 0.264 389 V C 0.202 176.309 176.094 0.022 0.000 1.049 389 V CA -0.352 61.991 62.300 0.071 0.000 0.896 389 V CB 1.222 33.123 31.823 0.131 0.000 1.025 389 V HN 0.833 nan 8.190 nan 0.000 0.475 390 D N 3.922 124.326 120.400 0.007 0.000 2.313 390 D HA 0.291 4.931 4.640 -0.000 0.000 0.247 390 D C 0.838 177.117 176.300 -0.035 0.000 1.094 390 D CA -0.261 53.734 54.000 -0.008 0.000 0.925 390 D CB 0.533 41.341 40.800 0.013 0.000 1.188 390 D HN 0.546 nan 8.370 nan 0.000 0.430 391 R N 1.954 122.431 120.500 -0.039 0.000 3.407 391 R HA -0.143 4.197 4.340 -0.000 0.000 0.277 391 R C 0.954 177.090 176.300 -0.273 0.000 1.119 391 R CA 0.715 56.775 56.100 -0.068 0.000 0.750 391 R CB -2.046 28.250 30.300 -0.008 0.000 1.258 391 R HN 0.640 nan 8.270 nan 0.000 0.432 392 I N -1.275 119.153 120.570 -0.236 0.000 3.444 392 I HA -0.113 4.056 4.170 -0.000 0.000 0.287 392 I C 1.787 177.766 176.117 -0.229 0.000 1.302 392 I CA 0.562 61.694 61.300 -0.281 0.000 1.368 392 I CB -0.547 37.119 38.000 -0.557 0.000 1.048 392 I HN 0.367 nan 8.210 nan 0.000 0.487 393 Y N 0.865 121.068 120.300 -0.161 0.000 2.241 393 Y HA -0.268 4.282 4.550 -0.000 0.000 0.286 393 Y C 2.436 178.255 175.900 -0.134 0.000 1.166 393 Y CA 1.411 59.413 58.100 -0.163 0.000 1.203 393 Y CB -1.604 36.731 38.460 -0.209 0.000 0.977 393 Y HN 0.173 nan 8.280 nan 0.000 0.529 394 H N 0.803 119.552 119.070 -0.535 0.000 2.289 394 H HA -0.172 4.383 4.556 -0.000 0.000 0.296 394 H C 2.358 177.653 175.328 -0.056 0.000 1.091 394 H CA 2.269 58.162 56.048 -0.259 0.000 1.274 394 H CB -0.461 29.097 29.762 -0.340 0.000 1.364 394 H HN 0.464 nan 8.280 nan 0.000 0.490 395 I N 1.000 121.619 120.570 0.083 0.000 2.361 395 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 395 I C 1.849 178.089 176.117 0.205 0.000 1.133 395 I CA 1.029 62.434 61.300 0.175 0.000 1.413 395 I CB -0.190 37.901 38.000 0.150 0.000 1.073 395 I HN 0.081 nan 8.210 nan 0.000 0.424 396 D N 0.839 121.312 120.400 0.122 0.000 2.263 396 D HA -0.144 4.496 4.640 -0.000 0.000 0.208 396 D C 2.233 178.599 176.300 0.111 0.000 0.971 396 D CA 0.969 55.043 54.000 0.122 0.000 0.867 396 D CB -0.176 40.674 40.800 0.084 0.000 0.929 396 D HN 0.353 nan 8.370 nan 0.000 0.492 397 R N -0.365 120.197 120.500 0.103 0.000 2.193 397 R HA 0.070 4.410 4.340 -0.000 0.000 0.213 397 R C 2.033 178.357 176.300 0.040 0.000 1.055 397 R CA 1.036 57.180 56.100 0.074 0.000 0.995 397 R CB 0.089 30.436 30.300 0.079 0.000 0.893 397 R HN 0.130 nan 8.270 nan 0.000 0.459 398 G N -1.301 107.530 108.800 0.052 0.000 2.781 398 G HA2 0.068 4.028 3.960 -0.000 0.000 0.208 398 G HA3 0.068 4.028 3.960 -0.000 0.000 0.208 398 G C -0.181 174.506 174.900 -0.356 0.000 1.099 398 G CA -0.071 44.950 45.100 -0.132 0.000 0.776 398 G HN 0.074 nan 8.290 nan 0.000 0.532 399 Y N -0.115 120.218 120.300 0.055 0.000 2.477 399 Y HA 0.442 4.992 4.550 -0.000 0.000 0.347 399 Y C -0.252 175.700 175.900 0.088 0.000 0.981 399 Y CA -1.171 56.970 58.100 0.068 0.000 1.033 399 Y CB 2.010 40.505 38.460 0.058 0.000 1.245 399 Y HN -0.042 nan 8.280 nan 0.000 0.455 400 E N 4.198 124.532 120.200 0.223 0.000 2.029 400 E HA 0.203 4.552 4.350 -0.000 0.000 0.276 400 E C -0.491 176.221 176.600 0.187 0.000 1.163 400 E CA -0.250 56.249 56.400 0.166 0.000 0.909 400 E CB 0.119 29.889 29.700 0.117 0.000 1.046 400 E HN 0.648 nan 8.360 nan 0.000 0.406 401 R N 3.600 124.206 120.500 0.175 0.000 3.146 401 R HA -0.220 4.120 4.340 -0.000 0.000 0.250 401 R C 0.965 177.365 176.300 0.165 0.000 0.912 401 R CA 0.388 56.583 56.100 0.159 0.000 0.633 401 R CB -1.814 28.552 30.300 0.110 0.000 1.180 401 R HN 0.760 nan 8.270 nan 0.000 0.464 402 I N 1.305 121.988 120.570 0.190 0.000 2.493 402 I HA -0.245 3.925 4.170 -0.000 0.000 0.254 402 I C 2.545 178.678 176.117 0.027 0.000 1.160 402 I CA 1.776 63.161 61.300 0.141 0.000 1.445 402 I CB -0.008 38.002 38.000 0.017 0.000 1.086 402 I HN 0.470 nan 8.210 nan 0.000 0.433 403 E N 0.357 120.527 120.200 -0.050 0.000 2.152 403 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 403 E C 1.142 177.702 176.600 -0.066 0.000 0.983 403 E CA 1.252 57.537 56.400 -0.192 0.000 0.818 403 E CB -0.427 29.102 29.700 -0.284 0.000 0.758 403 E HN 0.488 nan 8.360 nan 0.000 0.467 404 D N 1.855 122.256 120.400 0.002 0.000 2.097 404 D HA -0.082 4.558 4.640 -0.000 0.000 0.197 404 D C 1.907 178.197 176.300 -0.016 0.000 0.984 404 D CA 1.227 55.228 54.000 0.000 0.000 0.826 404 D CB -0.123 40.689 40.800 0.020 0.000 0.973 404 D HN 0.288 nan 8.370 nan 0.000 0.460 405 K N 0.347 120.749 120.400 0.003 0.000 2.097 405 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 405 K C 2.333 178.902 176.600 -0.052 0.000 1.050 405 K CA 0.494 56.737 56.287 -0.072 0.000 0.938 405 K CB -0.056 32.370 32.500 -0.125 0.000 0.718 405 K HN 0.149 nan 8.250 nan 0.000 0.442 406 L N 0.440 121.691 121.223 0.047 0.000 2.072 406 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 406 L C 2.718 179.573 176.870 -0.025 0.000 1.079 406 L CA 0.948 55.815 54.840 0.045 0.000 0.752 406 L CB -0.277 41.782 42.059 0.000 0.000 0.906 406 L HN 0.139 nan 8.230 nan 0.000 0.436 407 R N 0.390 120.862 120.500 -0.047 0.000 2.081 407 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 407 R C 2.157 178.431 176.300 -0.042 0.000 1.131 407 R CA 1.412 57.484 56.100 -0.047 0.000 0.960 407 R CB -0.251 30.023 30.300 -0.045 0.000 0.856 407 R HN 0.330 nan 8.270 nan 0.000 0.436 408 A N -0.047 122.743 122.820 -0.050 0.000 2.216 408 A HA -0.019 4.301 4.320 -0.000 0.000 0.214 408 A C 1.613 179.159 177.584 -0.063 0.000 1.160 408 A CA 0.807 52.809 52.037 -0.058 0.000 0.725 408 A CB -0.164 18.792 19.000 -0.074 0.000 0.784 408 A HN 0.353 nan 8.150 nan 0.000 0.472 409 L N -2.320 118.870 121.223 -0.055 0.000 2.693 409 L HA 0.321 4.661 4.340 -0.000 0.000 0.235 409 L C 1.468 178.320 176.870 -0.031 0.000 1.127 409 L CA 0.575 55.388 54.840 -0.045 0.000 0.914 409 L CB 0.436 42.476 42.059 -0.032 0.000 1.193 409 L HN 0.497 nan 8.230 nan 0.000 0.502 410 G N 0.017 108.797 108.800 -0.032 0.000 2.192 410 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.193 410 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.193 410 G C 0.343 175.225 174.900 -0.029 0.000 0.999 410 G CA -0.185 44.898 45.100 -0.028 0.000 0.659 410 G HN 0.358 nan 8.290 nan 0.000 0.503 411 A N 0.170 122.970 122.820 -0.034 0.000 2.425 411 A HA 0.574 4.894 4.320 -0.000 0.000 0.249 411 A C 0.471 178.027 177.584 -0.047 0.000 1.084 411 A CA 0.257 52.267 52.037 -0.044 0.000 0.781 411 A CB 0.369 19.333 19.000 -0.060 0.000 1.019 411 A HN 0.544 nan 8.150 nan 0.000 0.490 412 N N 1.990 120.664 118.700 -0.043 0.000 2.558 412 N HA 0.380 5.120 4.740 -0.000 0.000 0.233 412 N C -1.285 174.196 175.510 -0.048 0.000 1.038 412 N CA -0.010 53.018 53.050 -0.037 0.000 0.934 412 N CB 0.196 38.669 38.487 -0.023 0.000 1.175 412 N HN 0.637 nan 8.380 nan 0.000 0.512 413 I N 1.066 121.598 120.570 -0.063 0.000 2.619 413 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 413 I C -1.265 174.822 176.117 -0.050 0.000 1.100 413 I CA -0.604 60.638 61.300 -0.096 0.000 1.043 413 I CB 2.033 39.901 38.000 -0.220 0.000 1.239 413 I HN 0.348 nan 8.210 nan 0.000 0.420 414 E N 6.719 126.928 120.200 0.016 0.000 2.314 414 E HA 0.359 4.709 4.350 -0.000 0.000 0.272 414 E C -1.451 175.288 176.600 0.233 0.000 0.884 414 E CA -0.948 55.504 56.400 0.087 0.000 0.753 414 E CB 2.263 32.002 29.700 0.065 0.000 1.213 414 E HN 0.591 nan 8.360 nan 0.000 0.432 415 R N 3.666 124.314 120.500 0.248 0.000 2.207 415 R HA 0.348 4.688 4.340 -0.000 0.000 0.334 415 R C -0.553 175.821 176.300 0.122 0.000 1.013 415 R CA -0.401 55.865 56.100 0.277 0.000 0.858 415 R CB 0.756 31.224 30.300 0.281 0.000 1.094 415 R HN 0.325 nan 8.270 nan 0.000 0.457 416 V N 1.844 121.807 119.914 0.081 0.000 2.994 416 V HA 0.562 4.682 4.120 -0.000 0.000 0.318 416 V C -0.438 175.664 176.094 0.014 0.000 1.085 416 V CA -0.830 61.497 62.300 0.044 0.000 0.998 416 V CB 2.188 34.038 31.823 0.044 0.000 1.063 416 V HN 0.702 nan 8.190 nan 0.000 0.447 417 K N 2.704 123.111 120.400 0.012 0.000 2.832 417 K HA 0.368 4.688 4.320 -0.000 0.000 0.211 417 K C 0.655 177.256 176.600 0.003 0.000 1.112 417 K CA 0.304 56.593 56.287 0.002 0.000 1.108 417 K CB 0.407 32.909 32.500 0.004 0.000 0.899 417 K HN 1.001 nan 8.250 nan 0.000 0.464 418 G N 0.000 108.803 108.800 0.005 0.000 5.446 418 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 418 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 418 G CA 0.000 45.104 45.100 0.007 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925