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 2bs4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVQYCDSLV IGGGLAGLRA AVATQQKGLS TIVLSLIPVK RSHSAAAQGG DATA SEQUENCE MQASLGNSKM SDGDNEDLHF MDTVKGSDWG CDQKVARMFV NTAPKAIREL DATA SEQUENCE AAWGVPWTRI HKGDRMAIIN AQKTTITEED FRHGLIHSRD FGGTKKWRTC DATA SEQUENCE YTADATGHTM LFAVANECLK LGVSIQDRKE AIALIHQDGK CYGAVVRDLV DATA SEQUENCE TGDIIAYVAK GTLIATGGYG RIYKNTTNAV VCEGTGTAIA LETGIAQLGN DATA SEQUENCE MEAVQFHPTP LFPSGILLTE GCRGDGGILR DVDGHRFMPD YEPEKKELAS DATA SEQUENCE RDVVSRRMIE HIRKGKGVQS PYGQHLWLDI SILGRKHIET NLRDVQEICE DATA SEQUENCE YFAGIDPAEK WAPVLPMQHY SMGGIRTDYR GEAKLKGLFS AGEAACWDMH DATA SEQUENCE GFNRLGGNSV SEAVVAGMIV GEYFAEHCAN TQVDLETKTL EKFVKGQEAY DATA SEQUENCE MKSLVESKGT EDVFKIKNRM KDVMDDNVGI FRDGPHLEKA VKELEELYKK DATA SEQUENCE SKNVGIKNKR LHANPELEEA YRVPMMLKVA LCVAKGALDR TESRGAHNRE DATA SEQUENCE DYPKRDDINW LNRTLASWPN PEQTLPTLEY EALDVNEMEI APGYRGYGAK DATA SEQUENCE GNYIENPLSV KRQEEIDKIQ SELEAAGKDR HAIQEALMPY ELPAKYKARN DATA SEQUENCE ERLGDK 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 0.000 176.295 176.300 -0.008 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.605 32.600 0.007 0.000 1.302 2 K N 2.575 122.969 120.400 -0.010 0.000 2.213 2 K HA 0.752 5.070 4.320 -0.004 0.000 0.270 2 K C -1.473 175.092 176.600 -0.058 0.000 1.002 2 K CA -0.337 55.930 56.287 -0.034 0.000 0.868 2 K CB 2.000 34.482 32.500 -0.031 0.000 1.093 2 K HN 0.407 nan 8.250 nan 0.000 0.454 3 V N 3.454 123.320 119.914 -0.079 0.000 2.638 3 V HA 0.379 4.496 4.120 -0.004 0.000 0.306 3 V C -0.853 175.149 176.094 -0.153 0.000 1.052 3 V CA -0.973 61.267 62.300 -0.099 0.000 0.885 3 V CB 1.927 33.730 31.823 -0.034 0.000 0.999 3 V HN 0.590 nan 8.190 nan 0.000 0.424 4 Q N 2.952 122.584 119.800 -0.281 0.000 2.340 4 Q HA 0.506 4.844 4.340 -0.004 0.000 0.268 4 Q C -1.679 174.258 176.000 -0.106 0.000 1.031 4 Q CA -0.572 55.051 55.803 -0.300 0.000 0.804 4 Q CB 3.191 31.466 28.738 -0.772 0.000 1.286 4 Q HN 0.784 nan 8.270 nan 0.000 0.448 5 Y N 1.967 122.213 120.300 -0.091 0.000 2.446 5 Y HA 0.593 5.141 4.550 -0.005 0.000 0.345 5 Y C -0.824 175.084 175.900 0.014 0.000 0.984 5 Y CA -0.828 57.261 58.100 -0.020 0.000 1.058 5 Y CB 1.150 39.597 38.460 -0.022 0.000 1.220 5 Y HN 0.822 nan 8.280 nan 0.000 0.455 6 C N 3.334 122.090 119.300 -0.907 0.000 3.239 6 C HA 0.454 4.912 4.460 -0.004 0.000 0.317 6 C C 0.338 174.842 174.990 -0.811 0.000 1.310 6 C CA -0.686 58.009 59.018 -0.537 0.000 1.371 6 C CB 1.580 29.221 27.740 -0.164 0.000 1.714 6 C HN 0.885 nan 8.230 nan 0.000 0.473 7 D N 1.142 121.340 120.400 -0.337 0.000 2.123 7 D HA 0.020 4.657 4.640 -0.004 0.000 0.200 7 D C 0.452 176.632 176.300 -0.199 0.000 0.976 7 D CA 1.450 55.326 54.000 -0.206 0.000 0.831 7 D CB 0.137 40.897 40.800 -0.066 0.000 0.974 7 D HN 0.672 nan 8.370 nan 0.000 0.469 8 S N 0.704 116.310 115.700 -0.157 0.000 2.640 8 S HA 0.372 4.839 4.470 -0.004 0.000 0.320 8 S C -0.560 174.088 174.600 0.080 0.000 1.097 8 S CA -0.731 57.417 58.200 -0.086 0.000 1.092 8 S CB 2.043 65.129 63.200 -0.190 0.000 0.988 8 S HN 0.041 nan 8.310 nan 0.000 0.470 9 L N 4.944 126.268 121.223 0.168 0.000 2.275 9 L HA 0.641 4.979 4.340 -0.004 0.000 0.288 9 L C -0.992 175.942 176.870 0.107 0.000 1.046 9 L CA -0.243 54.663 54.840 0.110 0.000 0.805 9 L CB 1.028 43.133 42.059 0.077 0.000 1.193 9 L HN 0.441 nan 8.230 nan 0.000 0.426 10 V N 6.746 126.678 119.914 0.029 0.000 2.378 10 V HA 0.414 4.531 4.120 -0.004 0.000 0.288 10 V C -0.161 175.886 176.094 -0.079 0.000 1.016 10 V CA -0.605 61.672 62.300 -0.039 0.000 0.840 10 V CB 1.571 33.383 31.823 -0.018 0.000 0.994 10 V HN 0.493 nan 8.190 nan 0.000 0.431 11 I N 4.640 125.150 120.570 -0.100 0.000 2.291 11 I HA 0.708 4.875 4.170 -0.004 0.000 0.290 11 I C 0.743 176.808 176.117 -0.087 0.000 1.050 11 I CA 0.168 61.407 61.300 -0.100 0.000 1.245 11 I CB 0.308 38.250 38.000 -0.096 0.000 1.405 11 I HN 0.865 nan 8.210 nan 0.000 0.478 12 G N 3.870 112.626 108.800 -0.074 0.000 3.101 12 G HA2 0.130 4.087 3.960 -0.004 0.000 0.672 12 G HA3 0.130 4.087 3.960 -0.004 0.000 0.672 12 G C -0.065 174.807 174.900 -0.048 0.000 1.331 12 G CA -0.543 44.523 45.100 -0.057 0.000 0.925 12 G HN 0.903 nan 8.290 nan 0.000 0.596 13 G N 0.443 109.221 108.800 -0.036 0.000 4.098 13 G HA2 0.674 4.632 3.960 -0.004 0.000 0.300 13 G HA3 0.674 4.632 3.960 -0.004 0.000 0.300 13 G C 0.792 175.683 174.900 -0.016 0.000 1.187 13 G CA 0.924 46.005 45.100 -0.030 0.000 0.964 13 G HN 1.224 nan 8.290 nan 0.000 0.559 14 G N -0.443 108.353 108.800 -0.007 0.000 2.606 14 G HA2 0.392 4.350 3.960 -0.004 0.000 0.262 14 G HA3 0.392 4.350 3.960 -0.004 0.000 0.262 14 G C 1.137 176.047 174.900 0.017 0.000 1.394 14 G CA -0.721 44.386 45.100 0.012 0.000 1.044 14 G HN 0.129 nan 8.290 nan 0.000 0.553 15 L N -0.031 121.211 121.223 0.033 0.000 2.012 15 L HA -0.145 4.193 4.340 -0.004 0.000 0.210 15 L C 3.342 180.234 176.870 0.036 0.000 1.073 15 L CA 1.683 56.552 54.840 0.048 0.000 0.748 15 L CB -0.432 41.665 42.059 0.063 0.000 0.891 15 L HN 0.575 nan 8.230 nan 0.000 0.431 16 A N -0.040 122.788 122.820 0.012 0.000 1.898 16 A HA -0.094 4.224 4.320 -0.004 0.000 0.216 16 A C 2.371 179.934 177.584 -0.035 0.000 1.181 16 A CA 1.645 53.669 52.037 -0.021 0.000 0.620 16 A CB -1.194 17.776 19.000 -0.050 0.000 0.819 16 A HN 0.447 nan 8.150 nan 0.000 0.442 17 G N -0.111 108.668 108.800 -0.035 0.000 2.414 17 G HA2 -0.141 3.817 3.960 -0.004 0.000 0.215 17 G HA3 -0.141 3.817 3.960 -0.004 0.000 0.215 17 G C 1.568 176.459 174.900 -0.015 0.000 1.188 17 G CA 1.018 46.091 45.100 -0.045 0.000 0.783 17 G HN 0.411 nan 8.290 nan 0.000 0.537 18 L N -0.158 121.065 121.223 0.000 0.000 2.046 18 L HA -0.041 4.297 4.340 -0.004 0.000 0.208 18 L C 2.911 179.810 176.870 0.048 0.000 1.077 18 L CA 1.234 56.082 54.840 0.013 0.000 0.747 18 L CB -0.314 41.750 42.059 0.009 0.000 0.896 18 L HN 0.137 nan 8.230 nan 0.000 0.432 19 R N 0.689 121.233 120.500 0.073 0.000 2.092 19 R HA -0.097 4.241 4.340 -0.004 0.000 0.231 19 R C 2.172 178.533 176.300 0.102 0.000 1.119 19 R CA 1.594 57.769 56.100 0.124 0.000 0.970 19 R CB -0.602 29.768 30.300 0.117 0.000 0.864 19 R HN 0.316 nan 8.270 nan 0.000 0.440 20 A N 0.030 122.883 122.820 0.055 0.000 1.930 20 A HA 0.036 4.354 4.320 -0.004 0.000 0.217 20 A C 2.310 179.957 177.584 0.105 0.000 1.175 20 A CA 1.504 53.580 52.037 0.064 0.000 0.627 20 A CB -0.868 18.123 19.000 -0.014 0.000 0.815 20 A HN 0.443 nan 8.150 nan 0.000 0.443 21 A N -0.594 122.269 122.820 0.072 0.000 1.972 21 A HA 0.028 4.346 4.320 -0.004 0.000 0.219 21 A C 2.188 179.805 177.584 0.056 0.000 1.169 21 A CA 1.662 53.739 52.037 0.067 0.000 0.635 21 A CB -0.750 18.267 19.000 0.030 0.000 0.810 21 A HN 0.342 nan 8.150 nan 0.000 0.446 22 V N -0.269 119.685 119.914 0.065 0.000 2.358 22 V HA -0.221 3.897 4.120 -0.004 0.000 0.246 22 V C 3.033 179.180 176.094 0.089 0.000 1.047 22 V CA 1.823 64.162 62.300 0.065 0.000 1.035 22 V CB -1.026 30.866 31.823 0.114 0.000 0.658 22 V HN 0.605 nan 8.190 nan 0.000 0.452 23 A N 0.488 123.379 122.820 0.117 0.000 1.972 23 A HA -0.215 4.103 4.320 -0.004 0.000 0.219 23 A C 2.428 180.048 177.584 0.059 0.000 1.169 23 A CA 2.463 54.566 52.037 0.111 0.000 0.635 23 A CB -0.729 18.350 19.000 0.132 0.000 0.810 23 A HN 0.652 nan 8.150 nan 0.000 0.446 24 T N -3.815 110.767 114.554 0.047 0.000 3.009 24 T HA 0.000 4.348 4.350 -0.004 0.000 0.258 24 T C 1.891 176.580 174.700 -0.020 0.000 1.063 24 T CA 1.209 63.298 62.100 -0.018 0.000 1.139 24 T CB -0.102 68.733 68.868 -0.055 0.000 0.890 24 T HN 0.323 nan 8.240 nan 0.000 0.471 25 Q N 2.116 121.918 119.800 0.002 0.000 2.049 25 Q HA -0.078 4.260 4.340 -0.004 0.000 0.198 25 Q C 2.450 178.446 176.000 -0.006 0.000 0.971 25 Q CA 1.847 57.646 55.803 -0.007 0.000 0.833 25 Q CB -0.501 28.232 28.738 -0.008 0.000 0.896 25 Q HN 0.848 nan 8.270 nan 0.000 0.434 26 Q N 0.442 120.246 119.800 0.007 0.000 2.297 26 Q HA -0.188 4.150 4.340 -0.004 0.000 0.208 26 Q C 0.306 176.308 176.000 0.005 0.000 0.981 26 Q CA 1.609 57.419 55.803 0.011 0.000 0.876 26 Q CB -0.401 28.360 28.738 0.039 0.000 0.921 26 Q HN 0.335 nan 8.270 nan 0.000 0.446 27 K N -0.585 119.812 120.400 -0.004 0.000 2.814 27 K HA 0.428 4.746 4.320 -0.004 0.000 0.213 27 K C 0.518 177.106 176.600 -0.019 0.000 1.113 27 K CA 0.030 56.310 56.287 -0.013 0.000 1.145 27 K CB 0.562 33.051 32.500 -0.019 0.000 0.948 27 K HN 0.234 nan 8.250 nan 0.000 0.464 28 G N 1.261 110.052 108.800 -0.015 0.000 2.168 28 G HA2 -0.291 3.667 3.960 -0.004 0.000 0.263 28 G HA3 -0.291 3.667 3.960 -0.004 0.000 0.263 28 G C -0.019 174.872 174.900 -0.016 0.000 0.977 28 G CA 0.084 45.176 45.100 -0.014 0.000 0.659 28 G HN 0.362 nan 8.290 nan 0.000 0.533 29 L N 2.140 123.345 121.223 -0.030 0.000 2.281 29 L HA 0.477 4.815 4.340 -0.004 0.000 0.285 29 L C 1.273 178.128 176.870 -0.026 0.000 1.074 29 L CA -0.064 54.751 54.840 -0.041 0.000 0.817 29 L CB 1.452 43.456 42.059 -0.091 0.000 1.168 29 L HN 0.379 nan 8.230 nan 0.000 0.434 30 S N 1.605 117.302 115.700 -0.005 0.000 2.516 30 S HA 0.310 4.777 4.470 -0.004 0.000 0.282 30 S C 0.097 174.685 174.600 -0.020 0.000 1.286 30 S CA -0.597 57.606 58.200 0.004 0.000 1.066 30 S CB 0.693 63.918 63.200 0.043 0.000 0.884 30 S HN 0.706 nan 8.310 nan 0.000 0.491 31 T N 2.103 116.652 114.554 -0.008 0.000 2.861 31 T HA 0.652 5.000 4.350 -0.004 0.000 0.287 31 T C -0.569 174.141 174.700 0.016 0.000 1.003 31 T CA -1.043 61.057 62.100 0.000 0.000 0.977 31 T CB 0.794 69.671 68.868 0.015 0.000 0.996 31 T HN 0.567 nan 8.240 nan 0.000 0.448 32 I N 3.308 123.896 120.570 0.028 0.000 2.441 32 I HA 0.517 4.685 4.170 -0.004 0.000 0.295 32 I C -0.386 175.735 176.117 0.007 0.000 0.994 32 I CA -1.183 60.139 61.300 0.038 0.000 1.144 32 I CB 1.845 39.903 38.000 0.096 0.000 1.314 32 I HN 0.531 nan 8.210 nan 0.000 0.445 33 V N 6.822 126.727 119.914 -0.014 0.000 2.378 33 V HA 0.422 4.539 4.120 -0.004 0.000 0.288 33 V C 0.094 176.144 176.094 -0.073 0.000 1.016 33 V CA -0.549 61.727 62.300 -0.040 0.000 0.840 33 V CB 2.023 33.827 31.823 -0.032 0.000 0.994 33 V HN 0.446 nan 8.190 nan 0.000 0.431 34 L N 3.959 125.112 121.223 -0.116 0.000 2.307 34 L HA 0.741 5.079 4.340 -0.004 0.000 0.282 34 L C 0.192 177.001 176.870 -0.102 0.000 1.051 34 L CA 0.085 54.833 54.840 -0.155 0.000 0.804 34 L CB 1.826 43.729 42.059 -0.261 0.000 1.197 34 L HN 0.686 nan 8.230 nan 0.000 0.431 35 S N 1.314 116.966 115.700 -0.080 0.000 2.541 35 S HA 0.464 4.932 4.470 -0.004 0.000 0.271 35 S C 0.553 175.131 174.600 -0.036 0.000 1.133 35 S CA -0.683 57.486 58.200 -0.053 0.000 0.876 35 S CB 1.461 64.636 63.200 -0.042 0.000 1.105 35 S HN 0.592 nan 8.310 nan 0.000 0.470 36 L N 3.151 124.360 121.223 -0.024 0.000 2.141 36 L HA 0.197 4.534 4.340 -0.004 0.000 0.209 36 L C 0.831 177.698 176.870 -0.005 0.000 1.094 36 L CA 1.003 55.838 54.840 -0.008 0.000 0.763 36 L CB -0.389 41.668 42.059 -0.004 0.000 0.908 36 L HN 0.650 nan 8.230 nan 0.000 0.437 37 I N -5.846 114.719 120.570 -0.008 0.000 3.264 37 I HA 0.510 4.678 4.170 -0.004 0.000 0.315 37 I C -2.714 173.396 176.117 -0.012 0.000 1.154 37 I CA -2.782 58.516 61.300 -0.004 0.000 0.962 37 I CB 1.339 39.341 38.000 0.003 0.000 1.265 37 I HN -0.368 nan 8.210 nan 0.000 0.463 38 P HA -0.015 nan 4.420 nan 0.000 0.262 38 P C 1.197 178.476 177.300 -0.035 0.000 1.182 38 P CA -0.119 62.963 63.100 -0.030 0.000 0.761 38 P CB 0.714 32.397 31.700 -0.028 0.000 0.795 39 V N 3.123 123.005 119.914 -0.054 0.000 2.380 39 V HA -0.286 3.832 4.120 -0.004 0.000 0.251 39 V C 1.261 177.323 176.094 -0.055 0.000 1.063 39 V CA 1.779 64.047 62.300 -0.054 0.000 1.055 39 V CB -1.432 30.351 31.823 -0.067 0.000 0.657 39 V HN 0.550 nan 8.190 nan 0.000 0.455 40 K N 0.429 120.764 120.400 -0.108 0.000 2.591 40 K HA 0.160 4.477 4.320 -0.004 0.000 0.197 40 K C 1.442 178.092 176.600 0.083 0.000 1.026 40 K CA 0.301 56.532 56.287 -0.094 0.000 1.127 40 K CB -0.195 32.009 32.500 -0.494 0.000 0.871 40 K HN 0.469 nan 8.250 nan 0.000 0.507 41 R N 0.700 121.234 120.500 0.056 0.000 2.476 41 R HA 0.167 4.505 4.340 -0.004 0.000 0.276 41 R C -0.192 176.153 176.300 0.075 0.000 0.941 41 R CA -0.171 55.980 56.100 0.085 0.000 1.088 41 R CB 0.726 31.059 30.300 0.056 0.000 1.216 41 R HN 0.048 nan 8.270 nan 0.000 0.533 42 S N 0.656 116.393 115.700 0.062 0.000 2.563 42 S HA -0.103 4.365 4.470 -0.004 0.000 0.269 42 S C 1.004 175.663 174.600 0.099 0.000 1.364 42 S CA -0.081 58.158 58.200 0.066 0.000 1.010 42 S CB 0.526 63.753 63.200 0.046 0.000 0.877 42 S HN 0.364 nan 8.310 nan 0.000 0.549 43 H N 1.572 120.638 119.070 -0.007 0.000 2.489 43 H HA -0.052 4.502 4.556 -0.004 0.000 0.295 43 H C 1.960 177.287 175.328 -0.002 0.000 1.082 43 H CA 1.900 57.937 56.048 -0.018 0.000 1.295 43 H CB -0.365 29.368 29.762 -0.049 0.000 1.380 43 H HN 0.474 nan 8.280 nan 0.000 0.548 44 S N -0.275 115.419 115.700 -0.010 0.000 2.387 44 S HA -0.221 4.247 4.470 -0.004 0.000 0.230 44 S C 2.361 176.925 174.600 -0.059 0.000 1.035 44 S CA 0.903 59.077 58.200 -0.043 0.000 1.014 44 S CB -0.553 62.660 63.200 0.022 0.000 0.836 44 S HN 0.694 nan 8.310 nan 0.000 0.466 45 A N 1.022 123.837 122.820 -0.007 0.000 2.076 45 A HA 0.114 4.432 4.320 -0.004 0.000 0.220 45 A C 2.189 179.753 177.584 -0.035 0.000 1.160 45 A CA 1.505 53.566 52.037 0.041 0.000 0.653 45 A CB -0.699 18.383 19.000 0.136 0.000 0.801 45 A HN 0.526 nan 8.150 nan 0.000 0.455 46 A N -0.308 122.417 122.820 -0.158 0.000 2.067 46 A HA 0.495 4.812 4.320 -0.004 0.000 0.217 46 A C 1.468 178.953 177.584 -0.165 0.000 1.156 46 A CA 0.718 52.637 52.037 -0.197 0.000 0.683 46 A CB -0.840 17.948 19.000 -0.354 0.000 0.808 46 A HN 1.134 nan 8.150 nan 0.000 0.455 47 A N -0.026 122.702 122.820 -0.152 0.000 2.566 47 A HA 0.277 4.595 4.320 -0.004 0.000 0.245 47 A C 0.665 178.204 177.584 -0.077 0.000 1.056 47 A CA 0.504 52.487 52.037 -0.091 0.000 0.757 47 A CB -0.094 18.875 19.000 -0.052 0.000 0.979 47 A HN 0.603 nan 8.150 nan 0.000 0.508 48 Q N 2.178 121.921 119.800 -0.095 0.000 2.126 48 Q HA 0.126 4.464 4.340 -0.004 0.000 0.233 48 Q C 1.714 177.572 176.000 -0.237 0.000 0.788 48 Q CA 0.436 56.166 55.803 -0.121 0.000 0.968 48 Q CB 0.843 29.521 28.738 -0.100 0.000 1.163 48 Q HN 0.868 nan 8.270 nan 0.000 0.471 49 G N 1.166 109.752 108.800 -0.357 0.000 2.425 49 G HA2 0.325 4.283 3.960 -0.004 0.000 0.213 49 G HA3 0.325 4.283 3.960 -0.004 0.000 0.213 49 G C 0.644 174.988 174.900 -0.927 0.000 1.201 49 G CA 0.773 45.280 45.100 -0.988 0.000 0.799 49 G HN 0.450 nan 8.290 nan 0.000 0.534 50 G N -1.527 106.997 108.800 -0.461 0.000 2.369 50 G HA2 0.300 4.258 3.960 -0.004 0.000 0.307 50 G HA3 0.300 4.258 3.960 -0.004 0.000 0.307 50 G C -1.152 173.774 174.900 0.044 0.000 1.327 50 G CA -0.203 44.822 45.100 -0.125 0.000 0.963 50 G HN 0.505 nan 8.290 nan 0.000 0.590 51 M N 0.819 120.519 119.600 0.166 0.000 2.181 51 M HA 0.598 5.075 4.480 -0.004 0.000 0.323 51 M C -0.038 176.344 176.300 0.136 0.000 1.004 51 M CA -0.766 54.647 55.300 0.189 0.000 0.941 51 M CB 1.669 34.426 32.600 0.262 0.000 1.579 51 M HN 0.681 nan 8.290 nan 0.000 0.427 52 Q N 3.553 123.466 119.800 0.188 0.000 2.293 52 Q HA 0.631 4.968 4.340 -0.004 0.000 0.263 52 Q C -1.634 174.408 176.000 0.070 0.000 1.002 52 Q CA 0.021 55.898 55.803 0.123 0.000 0.910 52 Q CB 0.931 29.808 28.738 0.233 0.000 1.185 52 Q HN 0.716 nan 8.270 nan 0.000 0.401 53 A N 2.923 125.666 122.820 -0.128 0.000 2.512 53 A HA 0.376 4.694 4.320 -0.004 0.000 0.294 53 A C -0.588 176.883 177.584 -0.188 0.000 1.054 53 A CA -0.515 51.437 52.037 -0.141 0.000 0.756 53 A CB 1.110 20.037 19.000 -0.121 0.000 1.293 53 A HN 0.811 nan 8.150 nan 0.000 0.395 54 S N 2.811 118.418 115.700 -0.155 0.000 4.117 54 S HA 0.242 4.710 4.470 -0.004 0.000 0.191 54 S C 0.896 175.463 174.600 -0.055 0.000 1.308 54 S CA -0.288 57.857 58.200 -0.091 0.000 0.906 54 S CB -1.021 62.175 63.200 -0.008 0.000 1.565 54 S HN 0.592 nan 8.310 nan 0.000 0.439 55 L N 1.418 122.597 121.223 -0.074 0.000 2.131 55 L HA 0.217 4.555 4.340 -0.004 0.000 0.206 55 L C 2.119 178.969 176.870 -0.032 0.000 1.087 55 L CA 0.552 55.353 54.840 -0.066 0.000 0.767 55 L CB -1.107 40.889 42.059 -0.105 0.000 0.917 55 L HN 0.778 nan 8.230 nan 0.000 0.441 56 G N 0.308 109.097 108.800 -0.020 0.000 2.176 56 G HA2 -0.323 3.635 3.960 -0.004 0.000 0.252 56 G HA3 -0.323 3.635 3.960 -0.004 0.000 0.252 56 G C 0.498 175.398 174.900 0.001 0.000 1.024 56 G CA 0.751 45.850 45.100 -0.000 0.000 0.755 56 G HN 0.494 nan 8.290 nan 0.000 0.507 57 N N -0.027 118.663 118.700 -0.018 0.000 2.132 57 N HA 0.056 4.794 4.740 -0.004 0.000 0.187 57 N C 1.930 177.401 175.510 -0.066 0.000 1.038 57 N CA 0.859 53.888 53.050 -0.036 0.000 0.846 57 N CB -0.063 38.381 38.487 -0.072 0.000 1.012 57 N HN 0.649 nan 8.380 nan 0.000 0.429 58 S N 0.899 116.561 115.700 -0.064 0.000 2.596 58 S HA 0.071 4.539 4.470 -0.004 0.000 0.260 58 S C 1.111 175.667 174.600 -0.073 0.000 1.336 58 S CA -0.440 57.705 58.200 -0.091 0.000 0.993 58 S CB 1.467 64.698 63.200 0.052 0.000 0.923 58 S HN 0.075 nan 8.310 nan 0.000 0.567 59 K N 0.537 120.873 120.400 -0.106 0.000 2.009 59 K HA -0.027 4.291 4.320 -0.004 0.000 0.210 59 K C 1.826 178.330 176.600 -0.160 0.000 1.049 59 K CA 2.072 58.283 56.287 -0.127 0.000 0.929 59 K CB -0.600 31.812 32.500 -0.148 0.000 0.714 59 K HN 0.675 nan 8.250 nan 0.000 0.440 60 M N 0.600 120.055 119.600 -0.243 0.000 2.686 60 M HA 0.040 4.517 4.480 -0.004 0.000 0.246 60 M C 1.349 177.550 176.300 -0.164 0.000 1.096 60 M CA 0.926 55.972 55.300 -0.422 0.000 1.076 60 M CB -0.504 31.454 32.600 -1.069 0.000 1.504 60 M HN 0.044 nan 8.290 nan 0.000 0.524 61 S N -0.769 114.908 115.700 -0.038 0.000 2.502 61 S HA 0.032 4.500 4.470 -0.004 0.000 0.215 61 S C 0.677 175.277 174.600 -0.001 0.000 1.009 61 S CA -0.371 57.843 58.200 0.024 0.000 0.908 61 S CB 0.344 63.573 63.200 0.048 0.000 0.801 61 S HN 0.473 nan 8.310 nan 0.000 0.505 62 D N 1.209 121.597 120.400 -0.020 0.000 2.583 62 D HA 0.131 4.768 4.640 -0.004 0.000 0.232 62 D C 1.218 177.517 176.300 -0.000 0.000 1.128 62 D CA 1.604 55.603 54.000 -0.002 0.000 0.859 62 D CB 0.503 41.301 40.800 -0.003 0.000 1.169 62 D HN 0.419 nan 8.370 nan 0.000 0.481 63 G N 3.542 112.349 108.800 0.012 0.000 2.241 63 G HA2 -0.271 3.686 3.960 -0.004 0.000 0.244 63 G HA3 -0.271 3.686 3.960 -0.004 0.000 0.244 63 G C 0.404 175.314 174.900 0.017 0.000 0.998 63 G CA 0.319 45.426 45.100 0.012 0.000 0.621 63 G HN 0.679 nan 8.290 nan 0.000 0.519 64 D N 1.644 122.055 120.400 0.017 0.000 2.423 64 D HA 0.492 5.130 4.640 -0.004 0.000 0.238 64 D C 0.667 176.982 176.300 0.025 0.000 1.142 64 D CA 0.947 54.961 54.000 0.023 0.000 0.884 64 D CB 0.447 41.256 40.800 0.015 0.000 1.199 64 D HN 0.822 nan 8.370 nan 0.000 0.438 65 N N -0.137 118.587 118.700 0.039 0.000 3.179 65 N HA 0.144 4.881 4.740 -0.004 0.000 0.250 65 N C 0.099 175.656 175.510 0.078 0.000 1.507 65 N CA -0.623 52.453 53.050 0.044 0.000 0.883 65 N CB 0.313 38.816 38.487 0.027 0.000 1.435 65 N HN 0.054 nan 8.380 nan 0.000 0.532 66 E N -0.082 120.160 120.200 0.070 0.000 2.114 66 E HA -0.198 4.150 4.350 -0.004 0.000 0.199 66 E C 0.522 177.190 176.600 0.114 0.000 1.008 66 E CA 2.139 58.589 56.400 0.082 0.000 0.810 66 E CB -0.306 29.417 29.700 0.040 0.000 0.739 66 E HN 0.576 nan 8.360 nan 0.000 0.456 67 D N 0.255 120.698 120.400 0.072 0.000 2.104 67 D HA -0.159 4.479 4.640 -0.004 0.000 0.194 67 D C 2.127 178.540 176.300 0.188 0.000 0.994 67 D CA 0.935 55.001 54.000 0.110 0.000 0.830 67 D CB -0.342 40.483 40.800 0.042 0.000 0.959 67 D HN 0.202 nan 8.370 nan 0.000 0.452 68 L N 0.096 121.403 121.223 0.141 0.000 2.017 68 L HA -0.182 4.156 4.340 -0.004 0.000 0.208 68 L C 2.635 179.618 176.870 0.188 0.000 1.073 68 L CA 1.263 56.185 54.840 0.136 0.000 0.745 68 L CB -0.721 41.395 42.059 0.096 0.000 0.894 68 L HN 0.209 nan 8.230 nan 0.000 0.432 69 H N -0.511 118.610 119.070 0.085 0.000 2.319 69 H HA -0.273 4.281 4.556 -0.004 0.000 0.299 69 H C 2.302 177.695 175.328 0.108 0.000 1.092 69 H CA 1.851 57.950 56.048 0.086 0.000 1.302 69 H CB 0.034 29.838 29.762 0.071 0.000 1.373 69 H HN 0.250 nan 8.280 nan 0.000 0.497 70 F N 1.047 121.010 119.950 0.021 0.000 2.091 70 F HA -0.291 4.234 4.527 -0.004 0.000 0.299 70 F C 2.644 178.404 175.800 -0.067 0.000 1.103 70 F CA 1.983 59.934 58.000 -0.082 0.000 1.228 70 F CB -0.463 38.485 39.000 -0.086 0.000 0.984 70 F HN 0.162 nan 8.300 nan 0.000 0.477 71 M N 0.033 119.595 119.600 -0.062 0.000 2.132 71 M HA -0.212 4.265 4.480 -0.004 0.000 0.263 71 M C 1.809 177.971 176.300 -0.229 0.000 1.065 71 M CA 2.057 57.237 55.300 -0.201 0.000 1.122 71 M CB -0.470 32.138 32.600 0.014 0.000 1.365 71 M HN 0.092 nan 8.290 nan 0.000 0.411 72 D N -0.288 120.059 120.400 -0.088 0.000 2.123 72 D HA -0.154 4.484 4.640 -0.004 0.000 0.196 72 D C 1.841 178.044 176.300 -0.161 0.000 0.992 72 D CA 1.962 55.916 54.000 -0.076 0.000 0.833 72 D CB -0.450 40.370 40.800 0.033 0.000 0.954 72 D HN 0.406 nan 8.370 nan 0.000 0.455 73 T N 0.791 115.235 114.554 -0.183 0.000 2.708 73 T HA -0.091 4.257 4.350 -0.004 0.000 0.266 73 T C 2.298 176.764 174.700 -0.389 0.000 1.037 73 T CA 0.805 62.760 62.100 -0.240 0.000 1.146 73 T CB -0.266 68.460 68.868 -0.237 0.000 0.865 73 T HN -0.019 nan 8.240 nan 0.000 0.435 74 V N 1.380 120.930 119.914 -0.607 0.000 2.323 74 V HA -0.116 4.002 4.120 -0.004 0.000 0.244 74 V C 2.363 177.890 176.094 -0.946 0.000 1.041 74 V CA 1.510 63.351 62.300 -0.766 0.000 1.025 74 V CB -0.453 30.807 31.823 -0.939 0.000 0.656 74 V HN 0.453 nan 8.190 nan 0.000 0.451 75 K N 0.447 120.340 120.400 -0.845 0.000 2.211 75 K HA -0.036 4.282 4.320 -0.004 0.000 0.203 75 K C 2.199 178.518 176.600 -0.468 0.000 1.050 75 K CA 1.210 56.946 56.287 -0.918 0.000 0.945 75 K CB -0.496 31.734 32.500 -0.451 0.000 0.732 75 K HN 0.543 nan 8.250 nan 0.000 0.451 76 G N 1.299 109.920 108.800 -0.299 0.000 2.408 76 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.217 76 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.217 76 G C 1.502 176.360 174.900 -0.070 0.000 1.150 76 G CA 0.990 46.022 45.100 -0.115 0.000 0.776 76 G HN 0.401 nan 8.290 nan 0.000 0.542 77 S N -0.196 115.400 115.700 -0.174 0.000 2.555 77 S HA -0.000 4.467 4.470 -0.004 0.000 0.230 77 S C 1.097 175.711 174.600 0.023 0.000 0.978 77 S CA 1.105 59.270 58.200 -0.058 0.000 0.934 77 S CB -0.046 63.086 63.200 -0.115 0.000 0.766 77 S HN 0.290 nan 8.310 nan 0.000 0.533 78 D N 0.012 120.359 120.400 -0.088 0.000 2.870 78 D HA -0.185 4.453 4.640 -0.004 0.000 0.228 78 D C -0.472 176.002 176.300 0.290 0.000 1.147 78 D CA 1.072 55.134 54.000 0.103 0.000 0.757 78 D CB -1.955 38.936 40.800 0.152 0.000 1.091 78 D HN 0.686 nan 8.370 nan 0.000 0.429 79 W N -2.562 118.732 121.300 -0.009 0.000 3.750 79 W HA -0.235 4.423 4.660 -0.003 0.000 0.329 79 W C 1.334 177.892 176.519 0.066 0.000 1.247 79 W CA 0.671 58.013 57.345 -0.006 0.000 0.698 79 W CB -1.940 27.492 29.460 -0.048 0.000 2.324 79 W HN 0.391 nan 8.180 nan 0.000 1.357 80 G N -0.346 108.602 108.800 0.248 0.000 3.126 80 G HA2 0.250 4.207 3.960 -0.004 0.000 0.224 80 G HA3 0.250 4.207 3.960 -0.004 0.000 0.224 80 G C 0.509 175.540 174.900 0.217 0.000 1.142 80 G CA 0.661 45.973 45.100 0.353 0.000 0.759 80 G HN 0.351 nan 8.290 nan 0.000 0.550 81 C N -0.428 118.923 119.300 0.085 0.000 2.325 81 C HA 0.642 5.099 4.460 -0.004 0.000 0.370 81 C C -0.450 174.537 174.990 -0.005 0.000 1.217 81 C CA -1.349 57.669 59.018 -0.000 0.000 2.254 81 C CB 1.787 29.464 27.740 -0.106 0.000 2.282 81 C HN 0.178 nan 8.230 nan 0.000 0.564 82 D N 1.930 122.302 120.400 -0.046 0.000 2.393 82 D HA 0.148 4.785 4.640 -0.004 0.000 0.232 82 D C 0.983 177.245 176.300 -0.063 0.000 1.192 82 D CA 0.344 54.322 54.000 -0.037 0.000 0.882 82 D CB 1.159 41.922 40.800 -0.062 0.000 1.038 82 D HN 0.668 nan 8.370 nan 0.000 0.499 83 Q N 1.573 121.377 119.800 0.006 0.000 2.234 83 Q HA -0.187 4.150 4.340 -0.004 0.000 0.206 83 Q C 1.464 177.521 176.000 0.096 0.000 0.980 83 Q CA 1.175 57.034 55.803 0.094 0.000 0.869 83 Q CB 0.230 29.092 28.738 0.206 0.000 0.912 83 Q HN 0.402 nan 8.270 nan 0.000 0.436 84 K N 0.003 120.397 120.400 -0.010 0.000 2.057 84 K HA -0.091 4.227 4.320 -0.004 0.000 0.206 84 K C 2.108 178.599 176.600 -0.181 0.000 1.050 84 K CA 1.350 57.589 56.287 -0.080 0.000 0.935 84 K CB -0.179 32.299 32.500 -0.036 0.000 0.715 84 K HN 0.022 nan 8.250 nan 0.000 0.439 85 V N 1.997 121.772 119.914 -0.232 0.000 2.295 85 V HA -0.255 3.862 4.120 -0.004 0.000 0.246 85 V C 2.523 178.351 176.094 -0.444 0.000 1.049 85 V CA 2.044 64.049 62.300 -0.493 0.000 1.024 85 V CB -0.799 30.581 31.823 -0.739 0.000 0.648 85 V HN 0.377 nan 8.190 nan 0.000 0.447 86 A N -0.439 122.230 122.820 -0.251 0.000 1.940 86 A HA -0.235 4.083 4.320 -0.004 0.000 0.219 86 A C 2.372 179.986 177.584 0.051 0.000 1.176 86 A CA 1.640 53.630 52.037 -0.080 0.000 0.631 86 A CB -0.471 18.492 19.000 -0.062 0.000 0.814 86 A HN 0.374 nan 8.150 nan 0.000 0.446 87 R N -0.848 119.567 120.500 -0.141 0.000 2.066 87 R HA -0.003 4.335 4.340 -0.004 0.000 0.232 87 R C 2.189 178.150 176.300 -0.566 0.000 1.131 87 R CA 1.652 57.401 56.100 -0.585 0.000 0.955 87 R CB -0.701 28.803 30.300 -1.326 0.000 0.851 87 R HN 0.680 nan 8.270 nan 0.000 0.432 88 M N -0.512 118.845 119.600 -0.406 0.000 2.108 88 M HA -0.204 4.273 4.480 -0.004 0.000 0.261 88 M C 2.036 178.371 176.300 0.059 0.000 1.066 88 M CA 1.621 56.916 55.300 -0.009 0.000 1.107 88 M CB -0.510 32.159 32.600 0.114 0.000 1.356 88 M HN 0.029 nan 8.290 nan 0.000 0.406 89 F N 1.524 121.393 119.950 -0.135 0.000 2.000 89 F HA -0.192 4.332 4.527 -0.004 0.000 0.295 89 F C 2.343 178.130 175.800 -0.022 0.000 1.159 89 F CA 1.942 59.923 58.000 -0.032 0.000 1.171 89 F CB -0.999 37.931 39.000 -0.117 0.000 0.971 89 F HN -0.006 nan 8.300 nan 0.000 0.479 90 V N 0.136 119.731 119.914 -0.532 0.000 2.439 90 V HA -0.358 3.760 4.120 -0.004 0.000 0.253 90 V C 2.240 178.173 176.094 -0.268 0.000 1.074 90 V CA 2.511 64.488 62.300 -0.539 0.000 1.076 90 V CB -1.481 30.219 31.823 -0.204 0.000 0.664 90 V HN 0.702 nan 8.190 nan 0.000 0.461 91 N N 0.651 119.259 118.700 -0.154 0.000 2.171 91 N HA -0.134 4.604 4.740 -0.004 0.000 0.184 91 N C 1.769 177.257 175.510 -0.036 0.000 1.021 91 N CA 2.049 55.085 53.050 -0.024 0.000 0.854 91 N CB -0.057 38.495 38.487 0.108 0.000 0.994 91 N HN 0.651 nan 8.380 nan 0.000 0.426 92 T N 0.555 115.063 114.554 -0.076 0.000 3.043 92 T HA 0.165 4.513 4.350 -0.004 0.000 0.263 92 T C 1.961 176.569 174.700 -0.154 0.000 1.094 92 T CA 0.608 62.657 62.100 -0.085 0.000 1.127 92 T CB -0.108 68.709 68.868 -0.085 0.000 0.905 92 T HN 0.323 nan 8.240 nan 0.000 0.490 93 A N 2.608 125.260 122.820 -0.280 0.000 1.903 93 A HA -0.097 4.221 4.320 -0.004 0.000 0.219 93 A C 0.111 177.612 177.584 -0.138 0.000 1.191 93 A CA 1.566 53.452 52.037 -0.252 0.000 0.638 93 A CB -1.686 17.057 19.000 -0.428 0.000 0.823 93 A HN 0.361 nan 8.150 nan 0.000 0.451 94 P HA -0.214 nan 4.420 nan 0.000 0.215 94 P C 1.166 178.410 177.300 -0.093 0.000 1.157 94 P CA 1.967 65.007 63.100 -0.099 0.000 0.874 94 P CB -0.148 31.515 31.700 -0.062 0.000 0.790 95 K N -0.935 119.425 120.400 -0.067 0.000 2.439 95 K HA 0.139 4.457 4.320 -0.004 0.000 0.197 95 K C 1.918 178.466 176.600 -0.087 0.000 1.041 95 K CA 1.150 57.407 56.287 -0.051 0.000 0.970 95 K CB -0.631 31.880 32.500 0.018 0.000 0.773 95 K HN -0.015 nan 8.250 nan 0.000 0.479 96 A N 2.285 125.044 122.820 -0.102 0.000 1.897 96 A HA -0.030 4.287 4.320 -0.004 0.000 0.215 96 A C 2.180 179.727 177.584 -0.061 0.000 1.181 96 A CA 0.747 52.725 52.037 -0.098 0.000 0.620 96 A CB -0.311 18.660 19.000 -0.048 0.000 0.821 96 A HN 0.169 nan 8.150 nan 0.000 0.443 97 I N -0.094 120.435 120.570 -0.068 0.000 2.127 97 I HA -0.247 3.921 4.170 -0.004 0.000 0.241 97 I C 2.604 178.696 176.117 -0.042 0.000 1.075 97 I CA 1.708 62.948 61.300 -0.100 0.000 1.334 97 I CB -1.286 36.468 38.000 -0.410 0.000 1.040 97 I HN 0.348 nan 8.210 nan 0.000 0.405 98 R N 0.403 120.840 120.500 -0.105 0.000 2.105 98 R HA -0.214 4.124 4.340 -0.004 0.000 0.239 98 R C 2.234 178.484 176.300 -0.083 0.000 1.135 98 R CA 1.565 57.623 56.100 -0.070 0.000 0.967 98 R CB -0.297 29.962 30.300 -0.069 0.000 0.861 98 R HN 0.473 nan 8.270 nan 0.000 0.442 99 E N 0.910 121.000 120.200 -0.183 0.000 2.072 99 E HA -0.159 4.189 4.350 -0.004 0.000 0.191 99 E C 1.879 178.103 176.600 -0.627 0.000 0.985 99 E CA 0.859 56.999 56.400 -0.433 0.000 0.801 99 E CB 0.023 29.395 29.700 -0.546 0.000 0.750 99 E HN 0.270 nan 8.360 nan 0.000 0.452 100 L N 0.454 121.479 121.223 -0.330 0.000 2.083 100 L HA -0.162 4.176 4.340 -0.004 0.000 0.209 100 L C 2.648 179.594 176.870 0.126 0.000 1.083 100 L CA 0.977 55.768 54.840 -0.083 0.000 0.752 100 L CB -0.468 41.703 42.059 0.187 0.000 0.899 100 L HN 0.242 nan 8.230 nan 0.000 0.433 101 A N 0.095 123.074 122.820 0.265 0.000 1.902 101 A HA -0.141 4.177 4.320 -0.004 0.000 0.217 101 A C 2.513 180.192 177.584 0.159 0.000 1.181 101 A CA 1.617 53.841 52.037 0.311 0.000 0.623 101 A CB -0.634 18.544 19.000 0.296 0.000 0.818 101 A HN 0.388 nan 8.150 nan 0.000 0.443 102 A N -1.896 120.969 122.820 0.075 0.000 2.015 102 A HA -0.089 4.229 4.320 -0.004 0.000 0.219 102 A C 1.600 179.359 177.584 0.291 0.000 1.163 102 A CA 1.128 53.237 52.037 0.120 0.000 0.646 102 A CB -0.638 18.398 19.000 0.060 0.000 0.806 102 A HN 0.724 nan 8.150 nan 0.000 0.448 103 W N -1.057 120.279 121.300 0.061 0.000 3.345 103 W HA 0.394 5.054 4.660 -0.001 0.000 0.282 103 W C 1.558 178.080 176.519 0.004 0.000 1.302 103 W CA 0.134 57.498 57.345 0.031 0.000 1.724 103 W CB -0.832 28.646 29.460 0.030 0.000 1.104 103 W HN 0.565 nan 8.180 nan 0.000 0.694 104 G N -0.733 108.188 108.800 0.202 0.000 2.195 104 G HA2 -0.277 3.681 3.960 -0.004 0.000 0.224 104 G HA3 -0.277 3.681 3.960 -0.004 0.000 0.224 104 G C 0.092 174.985 174.900 -0.013 0.000 0.990 104 G CA -0.139 45.013 45.100 0.087 0.000 0.639 104 G HN -0.042 nan 8.290 nan 0.000 0.514 105 V N 3.428 123.296 119.914 -0.076 0.000 2.506 105 V HA 0.208 4.326 4.120 -0.004 0.000 0.296 105 V C -0.731 175.114 176.094 -0.415 0.000 1.004 105 V CA 0.306 62.388 62.300 -0.364 0.000 1.150 105 V CB 0.663 32.078 31.823 -0.681 0.000 0.911 105 V HN 0.345 nan 8.190 nan 0.000 0.476 106 P HA -0.009 nan 4.420 nan 0.000 0.231 106 P C -0.236 176.969 177.300 -0.158 0.000 1.756 106 P CA -0.297 62.699 63.100 -0.174 0.000 0.990 106 P CB -0.235 31.393 31.700 -0.120 0.000 1.973 107 W N 0.891 122.150 121.300 -0.069 0.000 2.257 107 W HA 0.029 4.687 4.660 -0.004 0.000 0.337 107 W C 1.095 177.508 176.519 -0.176 0.000 1.321 107 W CA -0.131 57.136 57.345 -0.130 0.000 1.267 107 W CB -0.025 29.369 29.460 -0.110 0.000 1.187 107 W HN 0.056 nan 8.180 nan 0.000 0.565 108 T N 5.716 120.242 114.554 -0.046 0.000 2.902 108 T HA 0.090 4.438 4.350 -0.004 0.000 0.301 108 T C 0.578 175.246 174.700 -0.053 0.000 1.012 108 T CA -0.393 61.615 62.100 -0.154 0.000 1.151 108 T CB 0.123 68.701 68.868 -0.483 0.000 0.946 108 T HN 0.098 nan 8.240 nan 0.000 0.542 109 R N 2.243 122.751 120.500 0.013 0.000 2.691 109 R HA 0.546 4.884 4.340 -0.004 0.000 0.259 109 R C 0.133 176.452 176.300 0.032 0.000 1.048 109 R CA -0.943 55.155 56.100 -0.003 0.000 1.086 109 R CB 0.835 31.103 30.300 -0.054 0.000 1.166 109 R HN 0.561 nan 8.270 nan 0.000 0.526 110 I N 2.525 122.987 120.570 -0.181 0.000 2.440 110 I HA 0.168 4.336 4.170 -0.004 0.000 0.294 110 I C 0.586 176.548 176.117 -0.259 0.000 0.995 110 I CA -0.353 60.737 61.300 -0.350 0.000 1.306 110 I CB 0.779 38.449 38.000 -0.549 0.000 1.407 110 I HN 0.444 nan 8.210 nan 0.000 0.501 111 H N 5.480 124.440 119.070 -0.183 0.000 2.667 111 H HA 0.390 4.944 4.556 -0.004 0.000 0.353 111 H C -1.045 174.345 175.328 0.103 0.000 1.072 111 H CA -1.125 54.875 56.048 -0.081 0.000 1.214 111 H CB 1.266 31.034 29.762 0.010 0.000 1.600 111 H HN 0.497 nan 8.280 nan 0.000 0.527 112 K N 1.903 122.462 120.400 0.264 0.000 2.550 112 K HA 0.273 4.590 4.320 -0.004 0.000 0.280 112 K C 0.235 176.799 176.600 -0.061 0.000 0.987 112 K CA 1.790 58.090 56.287 0.021 0.000 1.048 112 K CB 0.019 32.543 32.500 0.040 0.000 0.879 112 K HN 1.041 nan 8.250 nan 0.000 0.491 113 G N 2.746 111.472 108.800 -0.123 0.000 2.347 113 G HA2 -0.069 3.889 3.960 -0.004 0.000 0.341 113 G HA3 -0.069 3.889 3.960 -0.004 0.000 0.341 113 G C -1.792 173.049 174.900 -0.098 0.000 1.287 113 G CA -0.891 44.165 45.100 -0.074 0.000 0.984 113 G HN 0.571 nan 8.290 nan 0.000 0.526 114 D N 0.352 120.736 120.400 -0.027 0.000 2.217 114 D HA 0.701 5.338 4.640 -0.004 0.000 0.248 114 D C 0.622 176.936 176.300 0.023 0.000 1.008 114 D CA -0.189 53.803 54.000 -0.015 0.000 0.914 114 D CB 1.841 42.642 40.800 0.003 0.000 1.182 114 D HN 0.795 nan 8.370 nan 0.000 0.451 115 R N -0.393 120.126 120.500 0.032 0.000 2.740 115 R HA 0.498 4.836 4.340 -0.004 0.000 0.273 115 R C -0.668 175.675 176.300 0.072 0.000 0.998 115 R CA -0.942 55.204 56.100 0.077 0.000 0.900 115 R CB 1.087 31.452 30.300 0.109 0.000 1.223 115 R HN 0.114 nan 8.270 nan 0.000 0.466 116 M N 1.758 121.409 119.600 0.084 0.000 2.246 116 M HA 0.354 4.831 4.480 -0.004 0.000 0.350 116 M C -0.306 176.052 176.300 0.097 0.000 1.406 116 M CA 0.130 55.475 55.300 0.075 0.000 1.089 116 M CB 0.674 33.318 32.600 0.074 0.000 1.782 116 M HN 0.858 nan 8.290 nan 0.000 0.457 117 A N 5.469 128.344 122.820 0.092 0.000 2.475 117 A HA 0.865 5.183 4.320 -0.004 0.000 0.301 117 A C -0.828 176.834 177.584 0.131 0.000 1.059 117 A CA -0.763 51.361 52.037 0.144 0.000 0.710 117 A CB 1.403 20.501 19.000 0.164 0.000 1.288 117 A HN 0.794 nan 8.150 nan 0.000 0.408 118 I N 2.556 123.224 120.570 0.164 0.000 2.355 118 I HA 0.351 4.519 4.170 -0.004 0.000 0.288 118 I C -0.034 176.196 176.117 0.188 0.000 0.999 118 I CA -0.080 61.290 61.300 0.116 0.000 1.163 118 I CB 1.400 39.431 38.000 0.051 0.000 1.316 118 I HN 0.640 nan 8.210 nan 0.000 0.454 119 I N 4.043 124.708 120.570 0.159 0.000 4.288 119 I HA 0.076 4.244 4.170 -0.004 0.000 0.331 119 I C 0.748 176.927 176.117 0.104 0.000 1.322 119 I CA 0.022 61.440 61.300 0.196 0.000 1.149 119 I CB 0.018 38.115 38.000 0.161 0.000 1.112 119 I HN 0.635 nan 8.210 nan 0.000 0.403 120 N N 1.383 120.118 118.700 0.059 0.000 2.653 120 N HA -0.259 4.479 4.740 -0.004 0.000 0.248 120 N C 0.888 176.413 175.510 0.024 0.000 1.154 120 N CA 1.242 54.306 53.050 0.024 0.000 0.780 120 N CB -0.684 37.807 38.487 0.007 0.000 1.155 120 N HN 0.573 nan 8.380 nan 0.000 0.570 121 A N -0.550 122.293 122.820 0.038 0.000 2.508 121 A HA 0.255 4.572 4.320 -0.004 0.000 0.250 121 A C 0.440 178.039 177.584 0.026 0.000 1.208 121 A CA 0.221 52.277 52.037 0.032 0.000 0.960 121 A CB 0.829 19.856 19.000 0.045 0.000 1.099 121 A HN 0.238 nan 8.150 nan 0.000 0.542 122 Q N 0.406 120.223 119.800 0.028 0.000 3.284 122 Q HA 0.018 4.356 4.340 -0.004 0.000 0.182 122 Q C -1.258 174.758 176.000 0.028 0.000 0.852 122 Q CA -0.163 55.652 55.803 0.020 0.000 1.325 122 Q CB 0.410 29.157 28.738 0.014 0.000 1.536 122 Q HN 0.546 nan 8.270 nan 0.000 0.639 123 K N 0.287 120.699 120.400 0.020 0.000 3.233 123 K HA 0.106 4.424 4.320 -0.004 0.000 0.283 123 K C 0.382 176.993 176.600 0.019 0.000 1.209 123 K CA 0.042 56.343 56.287 0.023 0.000 1.197 123 K CB 0.274 32.775 32.500 0.001 0.000 1.431 123 K HN 0.264 nan 8.250 nan 0.000 0.326 124 T N 0.202 114.768 114.554 0.021 0.000 2.793 124 T HA 0.102 4.450 4.350 -0.004 0.000 0.299 124 T C -0.173 174.537 174.700 0.017 0.000 1.038 124 T CA -0.090 62.017 62.100 0.012 0.000 0.948 124 T CB 1.047 69.915 68.868 0.001 0.000 1.231 124 T HN 0.329 nan 8.240 nan 0.000 0.538 125 T N 1.274 115.832 114.554 0.007 0.000 2.902 125 T HA 0.639 4.987 4.350 -0.004 0.000 0.283 125 T C -0.450 174.243 174.700 -0.013 0.000 1.009 125 T CA -0.422 61.683 62.100 0.009 0.000 1.051 125 T CB 0.334 69.208 68.868 0.010 0.000 0.999 125 T HN 0.402 nan 8.240 nan 0.000 0.474 126 I N 1.980 122.542 120.570 -0.013 0.000 2.493 126 I HA 0.385 4.553 4.170 -0.004 0.000 0.298 126 I C 0.074 176.162 176.117 -0.049 0.000 0.998 126 I CA -0.749 60.523 61.300 -0.048 0.000 1.137 126 I CB 2.266 40.228 38.000 -0.064 0.000 1.310 126 I HN 0.469 nan 8.210 nan 0.000 0.445 127 T N 4.290 118.800 114.554 -0.072 0.000 2.779 127 T HA 0.325 4.673 4.350 -0.004 0.000 0.280 127 T C -0.538 174.088 174.700 -0.123 0.000 0.987 127 T CA -0.690 61.360 62.100 -0.083 0.000 0.966 127 T CB 1.221 70.049 68.868 -0.066 0.000 0.933 127 T HN 0.351 nan 8.240 nan 0.000 0.442 128 E N 2.906 123.010 120.200 -0.159 0.000 2.113 128 E HA 0.329 4.677 4.350 -0.004 0.000 0.273 128 E C -0.122 176.325 176.600 -0.255 0.000 0.924 128 E CA -0.672 55.594 56.400 -0.224 0.000 0.764 128 E CB 1.538 31.082 29.700 -0.259 0.000 1.104 128 E HN 0.524 nan 8.360 nan 0.000 0.406 129 E N 1.254 121.233 120.200 -0.367 0.000 2.447 129 E HA -0.078 4.270 4.350 -0.004 0.000 0.259 129 E C 0.785 177.134 176.600 -0.419 0.000 1.196 129 E CA 0.223 56.355 56.400 -0.447 0.000 0.995 129 E CB 0.446 29.623 29.700 -0.871 0.000 0.974 129 E HN 0.443 nan 8.360 nan 0.000 0.465 130 D N -0.184 120.064 120.400 -0.254 0.000 2.224 130 D HA -0.163 4.475 4.640 -0.004 0.000 0.205 130 D C 1.268 177.533 176.300 -0.057 0.000 0.965 130 D CA 0.713 54.651 54.000 -0.104 0.000 0.852 130 D CB -0.484 40.307 40.800 -0.015 0.000 0.947 130 D HN 0.493 nan 8.370 nan 0.000 0.494 131 F N -0.209 119.747 119.950 0.010 0.000 2.811 131 F HA 0.405 4.930 4.527 -0.004 0.000 0.301 131 F C 1.701 177.507 175.800 0.009 0.000 1.151 131 F CA -0.466 57.540 58.000 0.010 0.000 1.412 131 F CB -0.169 38.829 39.000 -0.003 0.000 1.113 131 F HN -0.209 nan 8.300 nan 0.000 0.579 132 R N -0.765 119.508 120.500 -0.378 0.000 2.265 132 R HA 0.022 4.360 4.340 -0.004 0.000 0.194 132 R C 0.583 176.804 176.300 -0.132 0.000 0.931 132 R CA -0.081 55.861 56.100 -0.262 0.000 1.032 132 R CB -0.406 29.638 30.300 -0.426 0.000 0.980 132 R HN 0.305 nan 8.270 nan 0.000 0.497 133 H N 0.677 119.650 119.070 -0.163 0.000 3.125 133 H HA -0.067 4.487 4.556 -0.004 0.000 0.310 133 H C 0.974 176.278 175.328 -0.040 0.000 0.980 133 H CA 1.961 57.957 56.048 -0.088 0.000 1.422 133 H CB 0.550 30.282 29.762 -0.050 0.000 1.432 133 H HN 0.534 nan 8.280 nan 0.000 0.577 134 G N 4.353 112.922 108.800 -0.385 0.000 2.199 134 G HA2 -0.240 3.717 3.960 -0.004 0.000 0.254 134 G HA3 -0.240 3.717 3.960 -0.004 0.000 0.254 134 G C 0.377 175.222 174.900 -0.092 0.000 0.982 134 G CA 0.292 45.283 45.100 -0.182 0.000 0.632 134 G HN 0.565 nan 8.290 nan 0.000 0.529 135 L N 0.709 121.868 121.223 -0.107 0.000 2.454 135 L HA 0.537 4.875 4.340 -0.004 0.000 0.256 135 L C 1.363 178.167 176.870 -0.111 0.000 1.136 135 L CA -1.136 53.653 54.840 -0.085 0.000 0.804 135 L CB 0.693 42.705 42.059 -0.077 0.000 1.181 135 L HN 0.038 nan 8.230 nan 0.000 0.469 136 I N 1.146 121.651 120.570 -0.108 0.000 2.598 136 I HA -0.029 4.139 4.170 -0.004 0.000 0.284 136 I C 0.599 176.657 176.117 -0.099 0.000 1.140 136 I CA 0.114 61.337 61.300 -0.129 0.000 1.420 136 I CB 0.008 37.846 38.000 -0.271 0.000 1.387 136 I HN 0.448 nan 8.210 nan 0.000 0.553 137 H N 4.865 123.855 119.070 -0.133 0.000 2.581 137 H HA 0.456 5.010 4.556 -0.004 0.000 0.369 137 H C -0.445 174.888 175.328 0.009 0.000 1.351 137 H CA -0.148 55.866 56.048 -0.057 0.000 1.434 137 H CB 1.392 31.127 29.762 -0.045 0.000 1.558 137 H HN 0.533 nan 8.280 nan 0.000 0.608 138 S N -0.213 115.838 115.700 0.586 0.000 2.579 138 S HA 0.550 5.018 4.470 -0.004 0.000 0.272 138 S C -0.901 173.959 174.600 0.433 0.000 1.141 138 S CA -0.968 57.492 58.200 0.432 0.000 0.843 138 S CB 2.465 65.843 63.200 0.296 0.000 1.122 138 S HN 0.728 nan 8.310 nan 0.000 0.468 139 R N 0.041 120.674 120.500 0.222 0.000 2.867 139 R HA 0.698 5.036 4.340 -0.004 0.000 0.268 139 R C -1.656 174.442 176.300 -0.337 0.000 1.014 139 R CA -0.891 55.147 56.100 -0.103 0.000 0.946 139 R CB 0.688 30.699 30.300 -0.482 0.000 1.208 139 R HN 0.438 nan 8.270 nan 0.000 0.477 140 D N 0.965 120.766 120.400 -0.998 0.000 2.339 140 D HA 0.244 4.882 4.640 -0.004 0.000 0.256 140 D C -1.535 174.494 176.300 -0.450 0.000 1.214 140 D CA 0.406 53.623 54.000 -1.305 0.000 0.877 140 D CB 0.275 39.898 40.800 -1.962 0.000 1.111 140 D HN 0.440 nan 8.370 nan 0.000 0.478 141 F N 2.432 122.118 119.950 -0.440 0.000 2.652 141 F HA 0.451 4.976 4.527 -0.003 0.000 0.320 141 F C 0.543 176.231 175.800 -0.186 0.000 1.115 141 F CA 0.254 58.089 58.000 -0.276 0.000 1.053 141 F CB 1.256 40.119 39.000 -0.228 0.000 1.297 141 F HN 0.462 nan 8.300 nan 0.000 0.471 142 G N 2.374 110.694 108.800 -0.800 0.000 2.176 142 G HA2 0.182 4.140 3.960 -0.004 0.000 0.232 142 G HA3 0.182 4.140 3.960 -0.004 0.000 0.232 142 G C 1.295 175.988 174.900 -0.345 0.000 0.986 142 G CA 0.734 45.487 45.100 -0.579 0.000 0.643 142 G HN 2.360 nan 8.290 nan 0.000 0.522 143 G N -1.045 107.578 108.800 -0.294 0.000 2.189 143 G HA2 0.003 3.960 3.960 -0.004 0.000 0.267 143 G HA3 0.003 3.960 3.960 -0.004 0.000 0.267 143 G C 0.870 175.709 174.900 -0.101 0.000 0.975 143 G CA 1.668 46.652 45.100 -0.193 0.000 0.644 143 G HN 2.404 nan 8.290 nan 0.000 0.537 144 T N -1.685 112.824 114.554 -0.074 0.000 2.919 144 T HA 0.472 4.820 4.350 -0.004 0.000 0.302 144 T C 1.291 176.045 174.700 0.089 0.000 1.031 144 T CA 0.550 62.654 62.100 0.007 0.000 1.127 144 T CB 2.077 70.960 68.868 0.025 0.000 0.952 144 T HN 0.357 nan 8.240 nan 0.000 0.540 145 K N 0.921 121.381 120.400 0.101 0.000 2.057 145 K HA -0.078 4.239 4.320 -0.004 0.000 0.207 145 K C 0.806 177.534 176.600 0.214 0.000 1.049 145 K CA 1.028 57.400 56.287 0.142 0.000 0.931 145 K CB 0.001 32.555 32.500 0.090 0.000 0.714 145 K HN 0.462 nan 8.250 nan 0.000 0.440 146 K N 0.770 121.275 120.400 0.174 0.000 2.276 146 K HA 0.027 4.344 4.320 -0.004 0.000 0.285 146 K C -1.458 175.330 176.600 0.314 0.000 1.062 146 K CA -0.346 56.048 56.287 0.178 0.000 0.918 146 K CB 0.388 32.941 32.500 0.090 0.000 1.055 146 K HN 0.018 nan 8.250 nan 0.000 0.477 147 W N 5.544 126.847 121.300 0.005 0.000 2.605 147 W HA 0.182 4.839 4.660 -0.004 0.000 0.327 147 W C 0.713 177.239 176.519 0.011 0.000 1.332 147 W CA -0.422 56.934 57.345 0.019 0.000 1.403 147 W CB 0.024 29.507 29.460 0.038 0.000 1.452 147 W HN 0.621 nan 8.180 nan 0.000 0.503 148 R N 0.135 120.735 120.500 0.167 0.000 2.590 148 R HA 0.242 4.579 4.340 -0.004 0.000 0.410 148 R C -0.104 176.217 176.300 0.036 0.000 1.010 148 R CA -0.360 55.772 56.100 0.054 0.000 1.155 148 R CB -0.200 30.052 30.300 -0.080 0.000 1.455 148 R HN -0.007 nan 8.270 nan 0.000 0.567 149 T N 1.801 116.414 114.554 0.097 0.000 2.739 149 T HA 0.250 4.598 4.350 -0.004 0.000 0.298 149 T C -0.017 174.787 174.700 0.173 0.000 0.929 149 T CA -0.195 61.971 62.100 0.110 0.000 1.014 149 T CB 0.331 69.278 68.868 0.132 0.000 0.914 149 T HN 0.271 nan 8.240 nan 0.000 0.509 150 C N 4.636 123.995 119.300 0.099 0.000 2.534 150 C HA 0.704 5.162 4.460 -0.004 0.000 0.385 150 C C -0.123 175.098 174.990 0.384 0.000 1.264 150 C CA -0.832 58.223 59.018 0.062 0.000 2.342 150 C CB -1.018 26.438 27.740 -0.475 0.000 2.564 150 C HN 0.922 nan 8.230 nan 0.000 0.603 151 Y N -1.351 119.130 120.300 0.303 0.000 2.624 151 Y HA 0.614 5.162 4.550 -0.003 0.000 0.334 151 Y C -0.322 175.790 175.900 0.353 0.000 1.155 151 Y CA -1.361 56.933 58.100 0.324 0.000 1.046 151 Y CB 0.628 39.118 38.460 0.051 0.000 1.316 151 Y HN 0.576 nan 8.280 nan 0.000 0.457 152 T N 0.475 115.127 114.554 0.164 0.000 3.253 152 T HA 0.711 5.059 4.350 -0.004 0.000 0.391 152 T C 0.530 175.269 174.700 0.065 0.000 1.527 152 T CA -0.010 62.074 62.100 -0.027 0.000 1.268 152 T CB -0.035 68.694 68.868 -0.233 0.000 1.126 152 T HN 2.178 nan 8.240 nan 0.000 0.620 153 A N 3.712 126.633 122.820 0.169 0.000 5.584 153 A HA -0.234 4.083 4.320 -0.004 0.000 0.303 153 A C 1.171 178.853 177.584 0.162 0.000 1.923 153 A CA 1.212 53.369 52.037 0.199 0.000 0.717 153 A CB -1.693 17.346 19.000 0.065 0.000 1.281 153 A HN 1.038 nan 8.150 nan 0.000 0.379 154 D N 0.008 120.434 120.400 0.043 0.000 2.427 154 D HA 0.513 5.151 4.640 -0.004 0.000 0.224 154 D C 0.283 176.563 176.300 -0.033 0.000 1.157 154 D CA 0.997 54.989 54.000 -0.014 0.000 0.828 154 D CB -0.279 40.498 40.800 -0.038 0.000 0.974 154 D HN 1.575 nan 8.370 nan 0.000 0.498 155 A N -0.039 122.770 122.820 -0.020 0.000 2.992 155 A HA 0.348 4.665 4.320 -0.004 0.000 0.263 155 A C 1.293 178.869 177.584 -0.013 0.000 0.928 155 A CA -0.502 51.518 52.037 -0.029 0.000 1.061 155 A CB -0.016 18.950 19.000 -0.056 0.000 1.173 155 A HN 0.036 nan 8.150 nan 0.000 0.482 156 T N -0.021 114.523 114.554 -0.017 0.000 2.652 156 T HA -0.140 4.208 4.350 -0.004 0.000 0.267 156 T C 2.178 176.845 174.700 -0.055 0.000 1.039 156 T CA 2.338 64.415 62.100 -0.037 0.000 1.153 156 T CB -0.281 68.620 68.868 0.055 0.000 0.863 156 T HN 0.680 nan 8.240 nan 0.000 0.428 157 G N 0.645 109.433 108.800 -0.019 0.000 2.446 157 G HA2 -0.334 3.624 3.960 -0.004 0.000 0.217 157 G HA3 -0.334 3.624 3.960 -0.004 0.000 0.217 157 G C 1.259 176.159 174.900 0.001 0.000 1.168 157 G CA 1.610 46.705 45.100 -0.009 0.000 0.771 157 G HN 0.654 nan 8.290 nan 0.000 0.551 158 H N 1.423 120.431 119.070 -0.103 0.000 2.251 158 H HA -0.182 4.372 4.556 -0.004 0.000 0.294 158 H C 2.861 178.076 175.328 -0.188 0.000 1.078 158 H CA 3.349 59.302 56.048 -0.158 0.000 1.246 158 H CB -0.712 28.897 29.762 -0.255 0.000 1.358 158 H HN 0.359 nan 8.280 nan 0.000 0.488 159 T N -1.682 112.648 114.554 -0.373 0.000 2.746 159 T HA -0.204 4.144 4.350 -0.004 0.000 0.267 159 T C 2.295 176.852 174.700 -0.238 0.000 1.039 159 T CA 1.733 63.588 62.100 -0.409 0.000 1.142 159 T CB -0.443 68.234 68.868 -0.320 0.000 0.866 159 T HN 0.341 nan 8.240 nan 0.000 0.444 160 M N 0.274 119.757 119.600 -0.195 0.000 2.065 160 M HA 0.042 4.519 4.480 -0.004 0.000 0.259 160 M C 2.375 178.689 176.300 0.022 0.000 1.069 160 M CA 1.550 56.792 55.300 -0.096 0.000 1.110 160 M CB -0.548 32.024 32.600 -0.047 0.000 1.328 160 M HN 0.249 nan 8.290 nan 0.000 0.405 161 L N -0.225 121.024 121.223 0.044 0.000 2.042 161 L HA -0.176 4.162 4.340 -0.004 0.000 0.210 161 L C 2.049 178.995 176.870 0.126 0.000 1.076 161 L CA 1.883 56.782 54.840 0.097 0.000 0.749 161 L CB -0.635 41.500 42.059 0.127 0.000 0.893 161 L HN 0.087 nan 8.230 nan 0.000 0.432 162 F N -0.158 119.686 119.950 -0.176 0.000 2.134 162 F HA -0.177 4.348 4.527 -0.003 0.000 0.299 162 F C 2.493 178.229 175.800 -0.107 0.000 1.097 162 F CA 1.101 58.996 58.000 -0.175 0.000 1.264 162 F CB -1.295 37.525 39.000 -0.299 0.000 1.001 162 F HN 0.203 nan 8.300 nan 0.000 0.479 163 A N -0.341 122.545 122.820 0.110 0.000 1.877 163 A HA -0.128 4.190 4.320 -0.004 0.000 0.216 163 A C 2.403 180.032 177.584 0.074 0.000 1.186 163 A CA 1.964 54.063 52.037 0.102 0.000 0.620 163 A CB -1.213 17.896 19.000 0.181 0.000 0.822 163 A HN 0.162 nan 8.150 nan 0.000 0.443 164 V N -0.169 119.826 119.914 0.134 0.000 2.427 164 V HA -0.207 3.910 4.120 -0.004 0.000 0.248 164 V C 3.027 179.100 176.094 -0.035 0.000 1.051 164 V CA 1.801 64.168 62.300 0.112 0.000 1.048 164 V CB -1.192 30.738 31.823 0.178 0.000 0.666 164 V HN 0.615 nan 8.190 nan 0.000 0.456 165 A N 0.490 123.273 122.820 -0.062 0.000 1.902 165 A HA -0.219 4.099 4.320 -0.004 0.000 0.217 165 A C 2.056 179.547 177.584 -0.154 0.000 1.181 165 A CA 2.000 53.962 52.037 -0.125 0.000 0.623 165 A CB -0.649 18.228 19.000 -0.205 0.000 0.818 165 A HN 0.572 nan 8.150 nan 0.000 0.443 166 N N -0.026 118.577 118.700 -0.161 0.000 2.244 166 N HA -0.105 4.633 4.740 -0.004 0.000 0.183 166 N C 1.536 176.920 175.510 -0.210 0.000 1.016 166 N CA 1.095 54.046 53.050 -0.165 0.000 0.866 166 N CB -0.268 38.142 38.487 -0.128 0.000 0.980 166 N HN 0.452 nan 8.380 nan 0.000 0.430 167 E N 0.330 120.356 120.200 -0.291 0.000 2.106 167 E HA -0.043 4.305 4.350 -0.004 0.000 0.192 167 E C 2.036 178.475 176.600 -0.268 0.000 0.984 167 E CA 0.301 56.442 56.400 -0.433 0.000 0.806 167 E CB -0.328 28.891 29.700 -0.802 0.000 0.750 167 E HN 0.307 nan 8.360 nan 0.000 0.458 168 C N 0.554 119.742 119.300 -0.187 0.000 2.429 168 C HA -0.075 4.383 4.460 -0.004 0.000 0.277 168 C C 2.805 177.730 174.990 -0.108 0.000 1.262 168 C CA 0.392 59.338 59.018 -0.120 0.000 1.733 168 C CB -1.069 26.619 27.740 -0.086 0.000 2.010 168 C HN 0.371 nan 8.230 nan 0.000 0.483 169 L N 0.571 121.722 121.223 -0.119 0.000 2.056 169 L HA -0.158 4.179 4.340 -0.004 0.000 0.207 169 L C 2.692 179.504 176.870 -0.097 0.000 1.078 169 L CA 1.499 56.279 54.840 -0.099 0.000 0.749 169 L CB -0.762 41.235 42.059 -0.104 0.000 0.901 169 L HN 0.382 nan 8.230 nan 0.000 0.433 170 K N 0.796 121.120 120.400 -0.125 0.000 2.063 170 K HA -0.162 4.155 4.320 -0.004 0.000 0.208 170 K C 1.952 178.493 176.600 -0.099 0.000 1.048 170 K CA 1.302 57.517 56.287 -0.119 0.000 0.928 170 K CB -0.040 32.361 32.500 -0.165 0.000 0.713 170 K HN 0.292 nan 8.250 nan 0.000 0.442 171 L N -0.174 120.985 121.223 -0.106 0.000 2.610 171 L HA 0.072 4.409 4.340 -0.004 0.000 0.232 171 L C 1.001 177.839 176.870 -0.053 0.000 1.149 171 L CA 0.557 55.351 54.840 -0.076 0.000 0.872 171 L CB -0.151 41.863 42.059 -0.076 0.000 0.992 171 L HN 0.550 nan 8.230 nan 0.000 0.447 172 G N 0.656 109.423 108.800 -0.055 0.000 2.182 172 G HA2 -0.240 3.718 3.960 -0.004 0.000 0.248 172 G HA3 -0.240 3.718 3.960 -0.004 0.000 0.248 172 G C 0.196 175.078 174.900 -0.030 0.000 1.042 172 G CA 0.071 45.147 45.100 -0.039 0.000 0.775 172 G HN 0.108 nan 8.290 nan 0.000 0.501 173 V N 0.253 120.146 119.914 -0.036 0.000 2.963 173 V HA 0.449 4.567 4.120 -0.004 0.000 0.306 173 V C 1.322 177.406 176.094 -0.018 0.000 1.077 173 V CA 0.769 63.055 62.300 -0.023 0.000 1.124 173 V CB 1.766 33.572 31.823 -0.027 0.000 0.987 173 V HN 0.590 nan 8.190 nan 0.000 0.487 174 S N 4.839 120.538 115.700 -0.003 0.000 2.399 174 S HA 0.453 4.920 4.470 -0.004 0.000 0.301 174 S C -0.382 174.219 174.600 0.001 0.000 1.093 174 S CA -0.592 57.612 58.200 0.007 0.000 1.077 174 S CB -0.473 62.746 63.200 0.030 0.000 0.980 174 S HN 0.476 nan 8.310 nan 0.000 0.494 175 I N 5.381 125.943 120.570 -0.012 0.000 2.297 175 I HA 0.246 4.413 4.170 -0.004 0.000 0.291 175 I C 0.081 176.190 176.117 -0.013 0.000 1.033 175 I CA -0.194 61.092 61.300 -0.023 0.000 1.253 175 I CB 1.062 39.037 38.000 -0.041 0.000 1.396 175 I HN 0.517 nan 8.210 nan 0.000 0.476 176 Q N 6.037 125.829 119.800 -0.014 0.000 2.413 176 Q HA 0.215 4.553 4.340 -0.004 0.000 0.258 176 Q C -0.862 175.123 176.000 -0.026 0.000 1.037 176 Q CA -0.877 54.924 55.803 -0.003 0.000 0.764 176 Q CB 1.748 30.505 28.738 0.031 0.000 1.217 176 Q HN 0.579 nan 8.270 nan 0.000 0.490 177 D N 1.138 121.528 120.400 -0.017 0.000 2.466 177 D HA 0.195 4.833 4.640 -0.004 0.000 0.262 177 D C -0.068 176.228 176.300 -0.006 0.000 1.177 177 D CA -0.653 53.336 54.000 -0.019 0.000 1.035 177 D CB 0.668 41.456 40.800 -0.019 0.000 1.105 177 D HN 0.424 nan 8.370 nan 0.000 0.551 178 R N -1.788 118.710 120.500 -0.003 0.000 3.405 178 R HA -0.224 4.114 4.340 -0.004 0.000 0.258 178 R C -0.763 175.545 176.300 0.015 0.000 1.030 178 R CA 0.717 56.824 56.100 0.011 0.000 0.691 178 R CB -1.607 28.704 30.300 0.019 0.000 1.093 178 R HN 0.382 nan 8.270 nan 0.000 0.448 179 K N 0.932 121.328 120.400 -0.005 0.000 2.471 179 K HA 0.304 4.622 4.320 -0.004 0.000 0.252 179 K C -1.172 175.406 176.600 -0.036 0.000 0.938 179 K CA -0.681 55.594 56.287 -0.020 0.000 0.796 179 K CB 1.637 34.101 32.500 -0.061 0.000 1.161 179 K HN 0.218 nan 8.250 nan 0.000 0.425 180 E N 2.618 122.809 120.200 -0.015 0.000 2.210 180 E HA 0.615 4.963 4.350 -0.004 0.000 0.266 180 E C -1.321 175.263 176.600 -0.027 0.000 0.883 180 E CA -1.015 55.382 56.400 -0.005 0.000 0.761 180 E CB 1.479 31.220 29.700 0.067 0.000 1.156 180 E HN 0.659 nan 8.360 nan 0.000 0.412 181 A N 5.252 128.045 122.820 -0.044 0.000 2.347 181 A HA 0.292 4.610 4.320 -0.004 0.000 0.287 181 A C 0.745 178.321 177.584 -0.014 0.000 1.199 181 A CA -0.371 51.637 52.037 -0.048 0.000 0.851 181 A CB -0.396 18.564 19.000 -0.066 0.000 1.118 181 A HN 0.736 nan 8.150 nan 0.000 0.525 182 I N -0.515 120.044 120.570 -0.019 0.000 4.082 182 I HA 0.649 4.817 4.170 -0.004 0.000 0.337 182 I C 0.378 176.499 176.117 0.006 0.000 1.352 182 I CA 0.289 61.578 61.300 -0.018 0.000 1.097 182 I CB 0.180 38.100 38.000 -0.134 0.000 1.048 182 I HN 0.575 nan 8.210 nan 0.000 0.393 183 A N 1.242 124.071 122.820 0.014 0.000 2.590 183 A HA 0.700 5.018 4.320 -0.004 0.000 0.294 183 A C -1.656 175.937 177.584 0.014 0.000 1.046 183 A CA -0.532 51.530 52.037 0.043 0.000 0.684 183 A CB 0.972 20.037 19.000 0.108 0.000 1.279 183 A HN 0.202 nan 8.150 nan 0.000 0.415 184 L N 1.618 122.847 121.223 0.011 0.000 2.325 184 L HA 0.568 4.906 4.340 -0.004 0.000 0.278 184 L C -0.537 176.209 176.870 -0.206 0.000 1.023 184 L CA -0.645 54.164 54.840 -0.051 0.000 0.811 184 L CB 1.678 43.715 42.059 -0.036 0.000 1.249 184 L HN 0.624 nan 8.230 nan 0.000 0.431 185 I N 2.552 122.918 120.570 -0.340 0.000 2.342 185 I HA 0.265 4.433 4.170 -0.004 0.000 0.291 185 I C -0.443 175.467 176.117 -0.345 0.000 1.010 185 I CA -0.257 60.584 61.300 -0.765 0.000 1.308 185 I CB 0.544 38.299 38.000 -0.408 0.000 1.400 185 I HN 0.681 nan 8.210 nan 0.000 0.488 186 H N 3.761 122.556 119.070 -0.458 0.000 3.046 186 H HA 0.691 5.245 4.556 -0.004 0.000 0.361 186 H C -1.326 174.084 175.328 0.136 0.000 1.235 186 H CA -0.947 55.021 56.048 -0.134 0.000 1.146 186 H CB 1.553 31.244 29.762 -0.118 0.000 1.859 186 H HN 0.534 nan 8.280 nan 0.000 0.548 187 Q N 1.067 120.972 119.800 0.175 0.000 2.386 187 Q HA 0.213 4.551 4.340 -0.004 0.000 0.274 187 Q C -1.184 174.945 176.000 0.215 0.000 1.011 187 Q CA -0.644 55.303 55.803 0.240 0.000 0.867 187 Q CB 1.619 30.572 28.738 0.357 0.000 1.409 187 Q HN 0.933 nan 8.270 nan 0.000 0.395 188 D N 2.239 122.742 120.400 0.172 0.000 2.751 188 D HA -0.210 4.427 4.640 -0.004 0.000 0.233 188 D C 0.564 176.921 176.300 0.096 0.000 1.149 188 D CA 1.752 55.830 54.000 0.131 0.000 0.682 188 D CB -1.486 39.398 40.800 0.140 0.000 1.068 188 D HN 1.112 nan 8.370 nan 0.000 0.429 189 G N -0.419 108.443 108.800 0.102 0.000 2.198 189 G HA2 -0.359 3.599 3.960 -0.004 0.000 0.260 189 G HA3 -0.359 3.599 3.960 -0.004 0.000 0.260 189 G C 0.083 174.963 174.900 -0.032 0.000 1.025 189 G CA 0.908 46.033 45.100 0.040 0.000 0.769 189 G HN 0.536 nan 8.290 nan 0.000 0.507 190 K N -1.022 119.318 120.400 -0.099 0.000 2.422 190 K HA 0.561 4.879 4.320 -0.004 0.000 0.251 190 K C -0.385 175.910 176.600 -0.509 0.000 0.933 190 K CA -0.797 55.323 56.287 -0.279 0.000 0.798 190 K CB 2.328 34.646 32.500 -0.304 0.000 1.238 190 K HN 0.201 nan 8.250 nan 0.000 0.428 191 C N 3.000 122.066 119.300 -0.390 0.000 2.347 191 C HA 0.374 4.832 4.460 -0.004 0.000 0.353 191 C C 0.108 174.891 174.990 -0.345 0.000 1.273 191 C CA -0.274 58.564 59.018 -0.300 0.000 1.861 191 C CB -0.891 26.775 27.740 -0.123 0.000 2.420 191 C HN 0.866 nan 8.230 nan 0.000 0.542 192 Y N 4.241 124.562 120.300 0.036 0.000 2.531 192 Y HA 0.451 4.999 4.550 -0.004 0.000 0.249 192 Y C 1.311 177.225 175.900 0.024 0.000 1.168 192 Y CA 0.522 58.647 58.100 0.041 0.000 1.226 192 Y CB -0.099 38.375 38.460 0.023 0.000 1.177 192 Y HN 1.084 nan 8.280 nan 0.000 0.527 193 G N 0.004 108.869 108.800 0.108 0.000 2.260 193 G HA2 0.442 4.400 3.960 -0.004 0.000 0.250 193 G HA3 0.442 4.400 3.960 -0.004 0.000 0.250 193 G C -1.610 173.303 174.900 0.021 0.000 1.340 193 G CA -0.374 44.775 45.100 0.081 0.000 1.056 193 G HN 0.450 nan 8.290 nan 0.000 0.471 194 A N -1.495 121.353 122.820 0.047 0.000 2.572 194 A HA 0.806 5.124 4.320 -0.004 0.000 0.295 194 A C -0.785 176.841 177.584 0.070 0.000 1.072 194 A CA -0.108 51.938 52.037 0.014 0.000 0.691 194 A CB 1.818 20.810 19.000 -0.013 0.000 1.291 194 A HN 1.820 nan 8.150 nan 0.000 0.404 195 V N 1.649 121.592 119.914 0.048 0.000 2.461 195 V HA 0.454 4.571 4.120 -0.004 0.000 0.275 195 V C -0.119 176.017 176.094 0.070 0.000 1.047 195 V CA -0.202 62.153 62.300 0.092 0.000 0.955 195 V CB 1.041 32.927 31.823 0.105 0.000 0.988 195 V HN 0.632 nan 8.190 nan 0.000 0.471 196 V N 5.717 125.700 119.914 0.116 0.000 2.680 196 V HA 0.557 4.675 4.120 -0.004 0.000 0.309 196 V C -0.004 176.128 176.094 0.064 0.000 1.052 196 V CA -0.919 61.418 62.300 0.062 0.000 0.908 196 V CB 2.124 33.961 31.823 0.024 0.000 1.001 196 V HN 0.879 nan 8.190 nan 0.000 0.431 197 R N 2.395 122.903 120.500 0.015 0.000 2.338 197 R HA 0.323 4.661 4.340 -0.004 0.000 0.317 197 R C -0.686 175.642 176.300 0.047 0.000 0.968 197 R CA -0.564 55.545 56.100 0.016 0.000 0.849 197 R CB 1.084 31.355 30.300 -0.048 0.000 1.128 197 R HN 0.811 nan 8.270 nan 0.000 0.448 198 D N 5.440 125.879 120.400 0.065 0.000 2.325 198 D HA 0.024 4.661 4.640 -0.004 0.000 0.251 198 D C 1.126 177.468 176.300 0.070 0.000 1.196 198 D CA -0.027 54.015 54.000 0.069 0.000 0.866 198 D CB 1.038 41.883 40.800 0.075 0.000 1.101 198 D HN 0.635 nan 8.370 nan 0.000 0.476 199 L N 3.336 124.598 121.223 0.066 0.000 2.353 199 L HA -0.141 4.197 4.340 -0.004 0.000 0.220 199 L C 2.051 178.965 176.870 0.074 0.000 1.133 199 L CA 0.389 55.273 54.840 0.073 0.000 0.798 199 L CB -0.055 42.040 42.059 0.061 0.000 0.922 199 L HN 0.347 nan 8.230 nan 0.000 0.445 200 V N -1.129 118.828 119.914 0.072 0.000 2.436 200 V HA -0.134 3.983 4.120 -0.004 0.000 0.240 200 V C 2.545 178.707 176.094 0.114 0.000 1.040 200 V CA 1.941 64.291 62.300 0.083 0.000 1.052 200 V CB -0.398 31.461 31.823 0.060 0.000 0.707 200 V HN 0.572 nan 8.190 nan 0.000 0.469 201 T N -2.516 112.091 114.554 0.088 0.000 3.035 201 T HA 0.261 4.608 4.350 -0.004 0.000 0.259 201 T C 1.656 176.422 174.700 0.110 0.000 1.078 201 T CA 1.219 63.368 62.100 0.081 0.000 1.132 201 T CB 0.535 69.428 68.868 0.043 0.000 0.900 201 T HN 1.050 nan 8.240 nan 0.000 0.480 202 G N 1.369 110.228 108.800 0.098 0.000 2.176 202 G HA2 -0.186 3.772 3.960 -0.004 0.000 0.253 202 G HA3 -0.186 3.772 3.960 -0.004 0.000 0.253 202 G C -0.315 174.621 174.900 0.060 0.000 0.979 202 G CA 0.012 45.165 45.100 0.088 0.000 0.641 202 G HN 0.590 nan 8.290 nan 0.000 0.530 203 D N 0.229 120.663 120.400 0.057 0.000 2.414 203 D HA 0.387 5.025 4.640 -0.004 0.000 0.242 203 D C 0.382 176.712 176.300 0.050 0.000 1.129 203 D CA 0.252 54.280 54.000 0.047 0.000 0.885 203 D CB 1.057 41.883 40.800 0.044 0.000 1.198 203 D HN 0.076 nan 8.370 nan 0.000 0.437 204 I N 3.066 123.662 120.570 0.043 0.000 2.321 204 I HA 0.278 4.446 4.170 -0.004 0.000 0.291 204 I C 0.192 176.347 176.117 0.063 0.000 0.998 204 I CA -0.269 61.061 61.300 0.049 0.000 1.227 204 I CB 0.835 38.857 38.000 0.036 0.000 1.368 204 I HN 0.140 nan 8.210 nan 0.000 0.466 205 I N 5.154 125.784 120.570 0.100 0.000 2.608 205 I HA 0.689 4.856 4.170 -0.004 0.000 0.295 205 I C -0.159 176.042 176.117 0.141 0.000 1.049 205 I CA -0.975 60.380 61.300 0.092 0.000 1.063 205 I CB 2.060 40.126 38.000 0.110 0.000 1.248 205 I HN 0.557 nan 8.210 nan 0.000 0.424 206 A N 5.115 127.971 122.820 0.059 0.000 2.260 206 A HA 0.641 4.958 4.320 -0.004 0.000 0.308 206 A C -1.467 176.141 177.584 0.040 0.000 1.254 206 A CA -0.171 51.921 52.037 0.093 0.000 0.874 206 A CB 0.087 19.124 19.000 0.062 0.000 1.153 206 A HN 0.554 nan 8.150 nan 0.000 0.527 207 Y N 2.238 122.548 120.300 0.016 0.000 2.369 207 Y HA 0.421 4.969 4.550 -0.004 0.000 0.337 207 Y C 0.438 176.341 175.900 0.006 0.000 0.961 207 Y CA -0.523 57.581 58.100 0.007 0.000 1.186 207 Y CB 1.698 40.154 38.460 -0.006 0.000 1.139 207 Y HN 0.613 nan 8.280 nan 0.000 0.494 208 V N 0.837 120.811 119.914 0.100 0.000 2.532 208 V HA 1.033 5.150 4.120 -0.004 0.000 0.295 208 V C -0.223 175.847 176.094 -0.040 0.000 1.041 208 V CA -0.809 61.545 62.300 0.091 0.000 0.926 208 V CB 1.217 33.122 31.823 0.138 0.000 0.992 208 V HN 0.806 nan 8.190 nan 0.000 0.457 209 A N 3.183 126.004 122.820 0.002 0.000 2.599 209 A HA 0.680 4.998 4.320 -0.004 0.000 0.290 209 A C 0.218 177.850 177.584 0.079 0.000 1.101 209 A CA -0.691 51.273 52.037 -0.122 0.000 0.674 209 A CB 1.561 20.518 19.000 -0.073 0.000 1.277 209 A HN 0.783 nan 8.150 nan 0.000 0.419 210 K N -0.164 120.272 120.400 0.059 0.000 2.366 210 K HA 0.247 4.565 4.320 -0.004 0.000 0.198 210 K C 0.689 177.455 176.600 0.276 0.000 1.044 210 K CA 1.045 57.429 56.287 0.162 0.000 0.973 210 K CB 0.329 32.874 32.500 0.076 0.000 0.767 210 K HN 0.821 nan 8.250 nan 0.000 0.475 211 G N 0.069 109.007 108.800 0.230 0.000 2.753 211 G HA2 0.324 4.282 3.960 -0.004 0.000 0.297 211 G HA3 0.324 4.282 3.960 -0.004 0.000 0.297 211 G C -1.265 173.924 174.900 0.481 0.000 1.430 211 G CA -0.462 44.881 45.100 0.406 0.000 1.040 211 G HN -0.156 nan 8.290 nan 0.000 0.530 212 T N 1.567 116.369 114.554 0.412 0.000 2.824 212 T HA 0.579 4.926 4.350 -0.004 0.000 0.282 212 T C -0.635 174.043 174.700 -0.037 0.000 0.993 212 T CA -0.367 61.849 62.100 0.193 0.000 0.967 212 T CB 1.673 70.592 68.868 0.085 0.000 0.960 212 T HN 0.490 nan 8.240 nan 0.000 0.441 213 L N 4.182 125.230 121.223 -0.293 0.000 2.333 213 L HA 0.658 4.996 4.340 -0.004 0.000 0.280 213 L C -1.121 175.603 176.870 -0.243 0.000 1.004 213 L CA -0.869 53.690 54.840 -0.467 0.000 0.820 213 L CB 0.851 42.319 42.059 -0.984 0.000 1.247 213 L HN 0.651 nan 8.230 nan 0.000 0.416 214 I N 5.301 125.764 120.570 -0.177 0.000 2.312 214 I HA 0.407 4.575 4.170 -0.004 0.000 0.290 214 I C 0.202 176.244 176.117 -0.124 0.000 1.008 214 I CA -0.185 61.038 61.300 -0.128 0.000 1.226 214 I CB 1.656 39.598 38.000 -0.098 0.000 1.371 214 I HN 0.750 nan 8.210 nan 0.000 0.468 215 A N 3.745 126.499 122.820 -0.109 0.000 3.253 215 A HA 0.264 4.582 4.320 -0.004 0.000 0.290 215 A C 0.838 178.384 177.584 -0.063 0.000 0.950 215 A CA -0.378 51.605 52.037 -0.090 0.000 0.986 215 A CB -0.384 18.557 19.000 -0.097 0.000 1.104 215 A HN 0.729 nan 8.150 nan 0.000 0.481 216 T N -2.476 112.044 114.554 -0.057 0.000 3.169 216 T HA 0.451 4.798 4.350 -0.004 0.000 0.250 216 T C 1.195 175.872 174.700 -0.039 0.000 1.111 216 T CA 0.787 62.861 62.100 -0.044 0.000 1.010 216 T CB -0.380 68.462 68.868 -0.042 0.000 0.984 216 T HN 2.047 nan 8.240 nan 0.000 0.537 217 G N 0.290 109.065 108.800 -0.041 0.000 2.642 217 G HA2 0.195 4.153 3.960 -0.004 0.000 0.231 217 G HA3 0.195 4.153 3.960 -0.004 0.000 0.231 217 G C 0.063 174.902 174.900 -0.102 0.000 1.338 217 G CA -0.573 44.494 45.100 -0.055 0.000 0.883 217 G HN 0.953 nan 8.290 nan 0.000 0.570 218 G N -1.645 107.047 108.800 -0.181 0.000 2.502 218 G HA2 0.671 4.629 3.960 -0.004 0.000 0.305 218 G HA3 0.671 4.629 3.960 -0.004 0.000 0.305 218 G C 0.211 174.987 174.900 -0.207 0.000 1.190 218 G CA 0.347 45.256 45.100 -0.319 0.000 0.933 218 G HN 1.671 nan 8.290 nan 0.000 0.503 219 Y N -1.285 118.917 120.300 -0.163 0.000 2.756 219 Y HA 0.451 4.999 4.550 -0.004 0.000 0.300 219 Y C 1.674 177.528 175.900 -0.077 0.000 1.113 219 Y CA -0.828 57.205 58.100 -0.112 0.000 1.291 219 Y CB -0.014 38.389 38.460 -0.095 0.000 1.175 219 Y HN 0.447 nan 8.280 nan 0.000 0.534 220 G N 1.297 109.975 108.800 -0.203 0.000 2.462 220 G HA2 -0.208 3.750 3.960 -0.004 0.000 0.220 220 G HA3 -0.208 3.750 3.960 -0.004 0.000 0.220 220 G C 1.605 176.522 174.900 0.030 0.000 1.121 220 G CA 0.274 45.294 45.100 -0.134 0.000 0.758 220 G HN 0.229 nan 8.290 nan 0.000 0.559 221 R N 0.756 121.255 120.500 -0.002 0.000 2.343 221 R HA 0.083 4.421 4.340 -0.004 0.000 0.202 221 R C 2.017 178.347 176.300 0.049 0.000 1.023 221 R CA 0.086 56.197 56.100 0.018 0.000 1.084 221 R CB -0.832 29.454 30.300 -0.023 0.000 0.956 221 R HN 0.763 nan 8.270 nan 0.000 0.478 222 I N -3.871 116.749 120.570 0.082 0.000 3.684 222 I HA 0.122 4.289 4.170 -0.004 0.000 0.304 222 I C -0.246 175.798 176.117 -0.122 0.000 1.278 222 I CA 0.006 61.295 61.300 -0.019 0.000 1.272 222 I CB -0.045 37.925 38.000 -0.050 0.000 1.029 222 I HN -0.223 nan 8.210 nan 0.000 0.458 223 Y N 1.373 121.686 120.300 0.021 0.000 2.496 223 Y HA 0.344 4.892 4.550 -0.004 0.000 0.331 223 Y C 1.386 177.306 175.900 0.033 0.000 1.140 223 Y CA -0.727 57.398 58.100 0.041 0.000 1.166 223 Y CB 1.567 40.042 38.460 0.027 0.000 1.249 223 Y HN -0.183 nan 8.280 nan 0.000 0.479 224 K N 0.822 121.351 120.400 0.214 0.000 2.076 224 K HA 0.035 4.353 4.320 -0.004 0.000 0.204 224 K C -0.609 176.064 176.600 0.123 0.000 1.051 224 K CA 0.900 57.268 56.287 0.135 0.000 0.949 224 K CB -0.023 32.555 32.500 0.129 0.000 0.726 224 K HN 0.723 nan 8.250 nan 0.000 0.443 225 N N 0.611 119.416 118.700 0.174 0.000 2.444 225 N HA 0.106 4.843 4.740 -0.004 0.000 0.262 225 N C -1.378 174.180 175.510 0.081 0.000 0.974 225 N CA -0.336 52.790 53.050 0.126 0.000 0.933 225 N CB 1.904 40.502 38.487 0.185 0.000 1.137 225 N HN 0.023 nan 8.380 nan 0.000 0.498 226 T N -0.921 113.644 114.554 0.018 0.000 2.885 226 T HA 0.176 4.523 4.350 -0.004 0.000 0.322 226 T C 0.986 175.660 174.700 -0.043 0.000 1.387 226 T CA -0.561 61.511 62.100 -0.046 0.000 1.041 226 T CB 1.263 70.084 68.868 -0.078 0.000 1.287 226 T HN 0.495 nan 8.240 nan 0.000 0.491 227 T N 0.608 115.146 114.554 -0.026 0.000 3.043 227 T HA 0.171 4.519 4.350 -0.004 0.000 0.263 227 T C 0.793 175.476 174.700 -0.028 0.000 1.094 227 T CA 0.262 62.374 62.100 0.020 0.000 1.127 227 T CB -0.683 68.298 68.868 0.189 0.000 0.905 227 T HN 0.654 nan 8.240 nan 0.000 0.490 228 N N 1.732 120.324 118.700 -0.179 0.000 2.305 228 N HA 0.362 5.100 4.740 -0.004 0.000 0.232 228 N C 0.216 175.502 175.510 -0.374 0.000 1.274 228 N CA -0.203 52.553 53.050 -0.490 0.000 0.870 228 N CB 0.307 38.521 38.487 -0.455 0.000 1.105 228 N HN 0.518 nan 8.380 nan 0.000 0.436 229 A N 0.605 123.094 122.820 -0.550 0.000 2.346 229 A HA 0.104 4.421 4.320 -0.004 0.000 0.252 229 A C 1.519 179.005 177.584 -0.163 0.000 1.089 229 A CA -0.592 51.328 52.037 -0.195 0.000 0.797 229 A CB 0.205 19.162 19.000 -0.071 0.000 1.047 229 A HN 0.658 nan 8.150 nan 0.000 0.494 230 V N -0.002 119.860 119.914 -0.086 0.000 3.078 230 V HA -0.083 4.035 4.120 -0.004 0.000 0.265 230 V C 1.401 177.459 176.094 -0.060 0.000 1.122 230 V CA 2.050 64.311 62.300 -0.064 0.000 1.141 230 V CB -1.258 30.544 31.823 -0.037 0.000 0.735 230 V HN 1.153 nan 8.190 nan 0.000 0.498 231 V N -2.913 116.962 119.914 -0.066 0.000 3.633 231 V HA 0.316 4.434 4.120 -0.004 0.000 0.283 231 V C 0.999 177.051 176.094 -0.070 0.000 1.305 231 V CA 0.036 62.305 62.300 -0.052 0.000 1.153 231 V CB -1.564 30.240 31.823 -0.031 0.000 0.950 231 V HN 0.543 nan 8.190 nan 0.000 0.432 232 C N 1.940 121.172 119.300 -0.113 0.000 2.379 232 C HA 0.470 4.928 4.460 -0.004 0.000 0.476 232 C C 1.182 176.128 174.990 -0.074 0.000 1.068 232 C CA -0.363 58.580 59.018 -0.126 0.000 1.406 232 C CB -1.872 25.724 27.740 -0.240 0.000 1.496 232 C HN 0.640 nan 8.230 nan 0.000 0.551 233 E N 0.444 120.623 120.200 -0.035 0.000 2.501 233 E HA 0.217 4.565 4.350 -0.004 0.000 0.200 233 E C 1.674 178.286 176.600 0.019 0.000 1.016 233 E CA 0.207 56.602 56.400 -0.008 0.000 0.921 233 E CB 0.424 30.109 29.700 -0.024 0.000 1.034 233 E HN 0.842 nan 8.360 nan 0.000 0.468 234 G N 2.286 111.109 108.800 0.038 0.000 2.166 234 G HA2 -0.407 3.551 3.960 -0.004 0.000 0.260 234 G HA3 -0.407 3.551 3.960 -0.004 0.000 0.260 234 G C 1.215 176.108 174.900 -0.012 0.000 0.986 234 G CA 1.091 46.221 45.100 0.050 0.000 0.683 234 G HN 0.448 nan 8.290 nan 0.000 0.527 235 T N -2.431 112.116 114.554 -0.011 0.000 2.833 235 T HA 0.082 4.430 4.350 -0.004 0.000 0.269 235 T C 2.493 177.179 174.700 -0.023 0.000 1.054 235 T CA 1.695 63.788 62.100 -0.011 0.000 1.135 235 T CB -0.524 68.358 68.868 0.023 0.000 0.869 235 T HN 1.186 nan 8.240 nan 0.000 0.466 236 G N 1.516 110.302 108.800 -0.024 0.000 2.421 236 G HA2 -0.194 3.764 3.960 -0.004 0.000 0.216 236 G HA3 -0.194 3.764 3.960 -0.004 0.000 0.216 236 G C 1.714 176.584 174.900 -0.050 0.000 1.171 236 G CA 1.395 46.473 45.100 -0.037 0.000 0.775 236 G HN 0.530 nan 8.290 nan 0.000 0.543 237 T N 1.788 116.313 114.554 -0.048 0.000 2.684 237 T HA -0.026 4.322 4.350 -0.004 0.000 0.267 237 T C 2.819 177.458 174.700 -0.100 0.000 1.036 237 T CA 1.665 63.722 62.100 -0.072 0.000 1.148 237 T CB -0.473 68.346 68.868 -0.083 0.000 0.863 237 T HN 0.393 nan 8.240 nan 0.000 0.436 238 A N 2.268 125.025 122.820 -0.105 0.000 1.865 238 A HA -0.106 4.212 4.320 -0.004 0.000 0.217 238 A C 2.356 179.870 177.584 -0.116 0.000 1.191 238 A CA 1.904 53.861 52.037 -0.133 0.000 0.623 238 A CB -0.979 17.952 19.000 -0.115 0.000 0.826 238 A HN 0.737 nan 8.150 nan 0.000 0.444 239 I N -2.771 117.754 120.570 -0.075 0.000 2.454 239 I HA -0.098 4.070 4.170 -0.004 0.000 0.254 239 I C 2.271 178.345 176.117 -0.073 0.000 1.156 239 I CA 1.486 62.751 61.300 -0.058 0.000 1.433 239 I CB -0.460 37.520 38.000 -0.033 0.000 1.082 239 I HN 0.212 nan 8.210 nan 0.000 0.432 240 A N 1.773 124.541 122.820 -0.087 0.000 1.874 240 A HA -0.058 4.260 4.320 -0.004 0.000 0.214 240 A C 2.257 179.778 177.584 -0.106 0.000 1.189 240 A CA 1.388 53.364 52.037 -0.100 0.000 0.615 240 A CB -0.830 18.113 19.000 -0.095 0.000 0.830 240 A HN 0.488 nan 8.150 nan 0.000 0.443 241 L N 0.387 121.549 121.223 -0.102 0.000 2.131 241 L HA -0.101 4.237 4.340 -0.004 0.000 0.210 241 L C 1.750 178.571 176.870 -0.081 0.000 1.092 241 L CA 2.055 56.845 54.840 -0.083 0.000 0.759 241 L CB -0.502 41.493 42.059 -0.107 0.000 0.903 241 L HN 0.482 nan 8.230 nan 0.000 0.435 242 E N -1.107 119.019 120.200 -0.123 0.000 2.526 242 E HA -0.098 4.250 4.350 -0.004 0.000 0.198 242 E C 1.545 178.132 176.600 -0.022 0.000 1.091 242 E CA 0.836 57.171 56.400 -0.108 0.000 0.880 242 E CB -0.137 29.487 29.700 -0.126 0.000 0.873 242 E HN 0.718 nan 8.360 nan 0.000 0.527 243 T N -3.672 110.835 114.554 -0.079 0.000 3.067 243 T HA 0.156 4.503 4.350 -0.004 0.000 0.257 243 T C 1.713 176.334 174.700 -0.132 0.000 1.105 243 T CA 0.507 62.483 62.100 -0.207 0.000 1.104 243 T CB 0.388 68.943 68.868 -0.521 0.000 0.925 243 T HN 0.226 nan 8.240 nan 0.000 0.498 244 G N 1.177 109.959 108.800 -0.031 0.000 2.212 244 G HA2 -0.264 3.693 3.960 -0.004 0.000 0.266 244 G HA3 -0.264 3.693 3.960 -0.004 0.000 0.266 244 G C 0.740 175.630 174.900 -0.017 0.000 0.978 244 G CA 0.546 45.666 45.100 0.032 0.000 0.632 244 G HN 0.514 nan 8.290 nan 0.000 0.537 245 I N 0.679 121.193 120.570 -0.094 0.000 3.132 245 I HA 0.396 4.564 4.170 -0.004 0.000 0.255 245 I C 2.071 178.134 176.117 -0.091 0.000 1.118 245 I CA 0.910 62.156 61.300 -0.092 0.000 1.463 245 I CB -1.460 36.460 38.000 -0.134 0.000 1.356 245 I HN 0.374 nan 8.210 nan 0.000 0.463 246 A N 1.933 124.680 122.820 -0.122 0.000 2.466 246 A HA 0.223 4.541 4.320 -0.004 0.000 0.238 246 A C 0.094 177.633 177.584 -0.076 0.000 1.074 246 A CA 0.196 52.168 52.037 -0.107 0.000 0.774 246 A CB 0.052 18.977 19.000 -0.125 0.000 1.015 246 A HN 0.463 nan 8.150 nan 0.000 0.498 247 Q N 0.007 119.765 119.800 -0.070 0.000 2.348 247 Q HA 0.646 4.984 4.340 -0.004 0.000 0.271 247 Q C -1.255 174.710 176.000 -0.059 0.000 1.067 247 Q CA -0.649 55.119 55.803 -0.057 0.000 0.839 247 Q CB 2.085 30.790 28.738 -0.055 0.000 1.354 247 Q HN 0.674 nan 8.270 nan 0.000 0.447 248 L N 0.700 121.887 121.223 -0.059 0.000 2.309 248 L HA 0.676 5.013 4.340 -0.004 0.000 0.282 248 L C 0.301 177.136 176.870 -0.057 0.000 1.036 248 L CA -0.860 53.942 54.840 -0.064 0.000 0.806 248 L CB 1.413 43.419 42.059 -0.088 0.000 1.220 248 L HN 0.691 nan 8.230 nan 0.000 0.429 249 G N 0.743 109.519 108.800 -0.040 0.000 2.372 249 G HA2 0.276 4.233 3.960 -0.004 0.000 0.323 249 G HA3 0.276 4.233 3.960 -0.004 0.000 0.323 249 G C 0.012 174.886 174.900 -0.044 0.000 1.152 249 G CA -0.412 44.670 45.100 -0.029 0.000 0.906 249 G HN 0.732 nan 8.290 nan 0.000 0.460 250 N N 1.216 119.886 118.700 -0.051 0.000 2.707 250 N HA -0.159 4.579 4.740 -0.004 0.000 0.253 250 N C 1.536 176.986 175.510 -0.100 0.000 0.998 250 N CA 0.451 53.434 53.050 -0.112 0.000 0.751 250 N CB -0.332 37.961 38.487 -0.324 0.000 0.920 250 N HN 0.470 nan 8.380 nan 0.000 0.539 251 M N -0.196 119.368 119.600 -0.061 0.000 2.346 251 M HA -0.144 4.333 4.480 -0.004 0.000 0.263 251 M C 1.997 178.311 176.300 0.023 0.000 1.064 251 M CA 1.395 56.668 55.300 -0.045 0.000 1.083 251 M CB -0.449 32.048 32.600 -0.171 0.000 1.399 251 M HN 0.407 nan 8.290 nan 0.000 0.435 252 E N 0.264 120.451 120.200 -0.023 0.000 2.427 252 E HA 0.031 4.379 4.350 -0.004 0.000 0.196 252 E C 0.370 176.975 176.600 0.009 0.000 1.028 252 E CA 0.461 56.851 56.400 -0.018 0.000 0.864 252 E CB -0.310 29.304 29.700 -0.142 0.000 0.813 252 E HN 0.306 nan 8.360 nan 0.000 0.514 253 A N 2.168 124.944 122.820 -0.073 0.000 2.915 253 A HA 0.396 4.714 4.320 -0.004 0.000 0.292 253 A C -0.240 177.336 177.584 -0.013 0.000 1.632 253 A CA -0.419 51.547 52.037 -0.119 0.000 1.337 253 A CB -0.081 18.606 19.000 -0.521 0.000 1.111 253 A HN 0.072 nan 8.150 nan 0.000 0.569 254 V N 2.488 122.451 119.914 0.082 0.000 2.483 254 V HA 0.349 4.467 4.120 -0.004 0.000 0.295 254 V C 0.184 176.293 176.094 0.025 0.000 1.035 254 V CA -0.498 61.794 62.300 -0.013 0.000 0.896 254 V CB 1.652 33.486 31.823 0.018 0.000 0.986 254 V HN 0.911 nan 8.190 nan 0.000 0.447 255 Q N 2.558 122.303 119.800 -0.091 0.000 2.274 255 Q HA 0.619 4.956 4.340 -0.004 0.000 0.260 255 Q C -1.779 174.159 176.000 -0.103 0.000 0.974 255 Q CA -0.481 55.347 55.803 0.042 0.000 0.876 255 Q CB 1.607 30.406 28.738 0.102 0.000 1.297 255 Q HN 0.591 nan 8.270 nan 0.000 0.446 256 F N 0.838 120.766 119.950 -0.037 0.000 2.507 256 F HA 0.360 4.885 4.527 -0.003 0.000 0.327 256 F C -0.192 175.582 175.800 -0.044 0.000 1.068 256 F CA -0.698 57.276 58.000 -0.044 0.000 0.965 256 F CB 1.501 40.439 39.000 -0.103 0.000 1.192 256 F HN 0.608 nan 8.300 nan 0.000 0.476 257 H N 3.412 122.501 119.070 0.032 0.000 2.457 257 H HA 0.364 4.918 4.556 -0.004 0.000 0.335 257 H C -2.017 173.286 175.328 -0.042 0.000 1.115 257 H CA -2.094 53.872 56.048 -0.137 0.000 1.219 257 H CB 2.232 31.779 29.762 -0.358 0.000 1.471 257 H HN 0.208 nan 8.280 nan 0.000 0.491 258 P HA -0.047 nan 4.420 nan 0.000 0.224 258 P C 0.155 177.467 177.300 0.020 0.000 1.157 258 P CA 0.761 63.781 63.100 -0.133 0.000 0.799 258 P CB 0.441 32.013 31.700 -0.213 0.000 0.809 259 T N -3.804 110.845 114.554 0.159 0.000 3.393 259 T HA 0.469 4.817 4.350 -0.004 0.000 0.255 259 T C -2.911 171.926 174.700 0.229 0.000 1.008 259 T CA -2.143 60.082 62.100 0.210 0.000 1.053 259 T CB 0.023 68.972 68.868 0.134 0.000 1.120 259 T HN -0.021 nan 8.240 nan 0.000 0.538 260 P HA 0.353 nan 4.420 nan 0.000 0.277 260 P C -0.123 177.232 177.300 0.093 0.000 1.240 260 P CA -0.906 62.233 63.100 0.065 0.000 0.798 260 P CB 0.608 32.344 31.700 0.060 0.000 0.979 261 L N 3.231 124.485 121.223 0.051 0.000 2.490 261 L HA 0.206 4.544 4.340 -0.004 0.000 0.274 261 L C -0.432 176.495 176.870 0.094 0.000 1.201 261 L CA 0.207 55.092 54.840 0.076 0.000 0.869 261 L CB -0.851 41.231 42.059 0.038 0.000 1.123 261 L HN 0.215 nan 8.230 nan 0.000 0.484 262 F N 7.109 127.027 119.950 -0.054 0.000 2.421 262 F HA 0.543 5.068 4.527 -0.004 0.000 0.337 262 F C -1.583 174.151 175.800 -0.109 0.000 1.105 262 F CA -1.822 56.125 58.000 -0.088 0.000 1.049 262 F CB 1.414 40.330 39.000 -0.140 0.000 1.139 262 F HN 0.507 nan 8.300 nan 0.000 0.479 263 P HA 0.033 nan 4.420 nan 0.000 0.267 263 P C 0.988 178.006 177.300 -0.471 0.000 1.289 263 P CA 0.587 63.005 63.100 -1.136 0.000 0.866 263 P CB 0.283 31.049 31.700 -1.556 0.000 1.309 264 S N 0.414 115.917 115.700 -0.327 0.000 2.387 264 S HA -0.044 4.423 4.470 -0.004 0.000 0.230 264 S C 1.905 176.413 174.600 -0.152 0.000 1.035 264 S CA 1.646 59.718 58.200 -0.214 0.000 1.014 264 S CB -1.726 61.378 63.200 -0.160 0.000 0.836 264 S HN 0.317 nan 8.310 nan 0.000 0.466 265 G N 0.799 109.537 108.800 -0.104 0.000 2.157 265 G HA2 -0.227 3.731 3.960 -0.004 0.000 0.248 265 G HA3 -0.227 3.731 3.960 -0.004 0.000 0.248 265 G C 0.045 174.896 174.900 -0.083 0.000 0.979 265 G CA 0.047 45.114 45.100 -0.055 0.000 0.650 265 G HN 0.621 nan 8.290 nan 0.000 0.529 266 I N 1.243 121.731 120.570 -0.136 0.000 2.598 266 I HA 0.160 4.327 4.170 -0.004 0.000 0.284 266 I C 1.060 177.100 176.117 -0.128 0.000 1.140 266 I CA -0.684 60.500 61.300 -0.193 0.000 1.420 266 I CB 0.565 38.355 38.000 -0.351 0.000 1.387 266 I HN 0.097 nan 8.210 nan 0.000 0.553 267 L N 8.359 129.502 121.223 -0.132 0.000 2.453 267 L HA 0.163 4.501 4.340 -0.004 0.000 0.272 267 L C -0.297 176.506 176.870 -0.112 0.000 1.182 267 L CA 0.557 55.300 54.840 -0.163 0.000 0.858 267 L CB 0.305 42.248 42.059 -0.193 0.000 1.120 267 L HN 0.418 nan 8.230 nan 0.000 0.474 268 L N 4.780 125.946 121.223 -0.095 0.000 2.337 268 L HA 0.213 4.551 4.340 -0.004 0.000 0.269 268 L C 0.454 177.333 176.870 0.014 0.000 1.018 268 L CA -0.486 54.348 54.840 -0.010 0.000 0.876 268 L CB 1.253 43.340 42.059 0.046 0.000 1.236 268 L HN 0.692 nan 8.230 nan 0.000 0.436 269 T N 0.721 115.271 114.554 -0.006 0.000 2.870 269 T HA -0.201 4.147 4.350 -0.004 0.000 0.311 269 T C 1.349 176.118 174.700 0.115 0.000 1.052 269 T CA 0.762 62.887 62.100 0.042 0.000 1.131 269 T CB 0.446 69.306 68.868 -0.014 0.000 1.082 269 T HN 0.801 nan 8.240 nan 0.000 0.511 270 E N 2.286 122.611 120.200 0.209 0.000 2.396 270 E HA -0.101 4.246 4.350 -0.004 0.000 0.200 270 E C 1.995 178.627 176.600 0.054 0.000 1.023 270 E CA 0.980 57.457 56.400 0.128 0.000 0.857 270 E CB -0.699 29.061 29.700 0.100 0.000 0.775 270 E HN 0.906 nan 8.360 nan 0.000 0.525 271 G N 0.222 109.053 108.800 0.051 0.000 2.498 271 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.219 271 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.219 271 G C 1.505 176.400 174.900 -0.008 0.000 1.119 271 G CA 0.711 45.805 45.100 -0.010 0.000 0.766 271 G HN 0.367 nan 8.290 nan 0.000 0.552 272 C N -0.110 119.193 119.300 0.005 0.000 2.462 272 C HA 0.050 4.507 4.460 -0.004 0.000 0.278 272 C C 2.931 177.915 174.990 -0.010 0.000 1.253 272 C CA 0.697 59.720 59.018 0.008 0.000 1.713 272 C CB -0.797 26.956 27.740 0.021 0.000 2.049 272 C HN 0.476 nan 8.230 nan 0.000 0.477 273 R N 0.597 121.078 120.500 -0.032 0.000 2.066 273 R HA -0.045 4.292 4.340 -0.004 0.000 0.232 273 R C 2.514 178.777 176.300 -0.062 0.000 1.131 273 R CA 1.640 57.701 56.100 -0.065 0.000 0.955 273 R CB -0.855 29.389 30.300 -0.094 0.000 0.851 273 R HN 0.619 nan 8.270 nan 0.000 0.432 274 G N 0.860 109.622 108.800 -0.062 0.000 2.450 274 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.220 274 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.220 274 G C 0.616 175.493 174.900 -0.038 0.000 1.130 274 G CA 1.291 46.350 45.100 -0.068 0.000 0.760 274 G HN 0.263 nan 8.290 nan 0.000 0.557 275 D N -0.799 119.599 120.400 -0.003 0.000 2.323 275 D HA 0.291 4.929 4.640 -0.004 0.000 0.209 275 D C 1.889 178.192 176.300 0.005 0.000 0.973 275 D CA 1.201 55.231 54.000 0.050 0.000 0.874 275 D CB 0.255 41.171 40.800 0.192 0.000 0.930 275 D HN 0.416 nan 8.370 nan 0.000 0.521 276 G N -0.936 107.853 108.800 -0.019 0.000 2.613 276 G HA2 -0.071 3.887 3.960 -0.004 0.000 0.199 276 G HA3 -0.071 3.887 3.960 -0.004 0.000 0.199 276 G C 0.757 175.622 174.900 -0.057 0.000 0.991 276 G CA -0.254 44.819 45.100 -0.045 0.000 0.756 276 G HN 0.479 nan 8.290 nan 0.000 0.515 277 G N 0.734 109.508 108.800 -0.043 0.000 2.341 277 G HA2 0.349 4.306 3.960 -0.004 0.000 0.231 277 G HA3 0.349 4.306 3.960 -0.004 0.000 0.231 277 G C 0.056 174.886 174.900 -0.117 0.000 1.206 277 G CA 0.415 45.477 45.100 -0.062 0.000 0.865 277 G HN 0.409 nan 8.290 nan 0.000 0.515 278 I N 2.055 122.530 120.570 -0.158 0.000 2.404 278 I HA 0.313 4.481 4.170 -0.004 0.000 0.293 278 I C 0.314 176.270 176.117 -0.267 0.000 0.992 278 I CA -0.839 60.322 61.300 -0.231 0.000 1.149 278 I CB 1.586 39.432 38.000 -0.257 0.000 1.315 278 I HN 0.281 nan 8.210 nan 0.000 0.446 279 L N 6.650 127.672 121.223 -0.336 0.000 2.275 279 L HA 0.494 4.832 4.340 -0.004 0.000 0.288 279 L C 0.210 176.870 176.870 -0.351 0.000 1.046 279 L CA -0.507 54.140 54.840 -0.321 0.000 0.805 279 L CB 0.896 42.668 42.059 -0.479 0.000 1.193 279 L HN 0.544 nan 8.230 nan 0.000 0.426 280 R N 1.017 121.519 120.500 0.002 0.000 2.854 280 R HA 0.447 4.785 4.340 -0.004 0.000 0.271 280 R C -1.197 175.423 176.300 0.534 0.000 0.994 280 R CA -0.942 55.260 56.100 0.169 0.000 0.945 280 R CB 1.996 32.226 30.300 -0.116 0.000 1.194 280 R HN 0.622 nan 8.270 nan 0.000 0.476 281 D N -0.324 120.404 120.400 0.546 0.000 2.567 281 D HA 0.043 4.680 4.640 -0.004 0.000 0.275 281 D C 0.904 177.489 176.300 0.475 0.000 1.195 281 D CA -0.776 53.490 54.000 0.443 0.000 1.087 281 D CB -0.099 40.993 40.800 0.488 0.000 1.165 281 D HN 0.156 nan 8.370 nan 0.000 0.609 282 V N -0.230 119.864 119.914 0.301 0.000 2.568 282 V HA -0.189 3.928 4.120 -0.004 0.000 0.253 282 V C 0.628 176.921 176.094 0.332 0.000 1.072 282 V CA 2.175 64.657 62.300 0.303 0.000 1.084 282 V CB -0.583 31.315 31.823 0.125 0.000 0.676 282 V HN 0.425 nan 8.190 nan 0.000 0.469 283 D N -0.575 120.008 120.400 0.304 0.000 2.339 283 D HA 0.199 4.837 4.640 -0.004 0.000 0.217 283 D C 1.619 178.111 176.300 0.321 0.000 1.050 283 D CA 0.973 55.130 54.000 0.261 0.000 0.856 283 D CB 0.532 41.453 40.800 0.202 0.000 0.922 283 D HN 0.641 nan 8.370 nan 0.000 0.518 284 G N 1.550 110.603 108.800 0.421 0.000 2.157 284 G HA2 -0.282 3.676 3.960 -0.004 0.000 0.248 284 G HA3 -0.282 3.676 3.960 -0.004 0.000 0.248 284 G C 0.197 175.268 174.900 0.286 0.000 0.979 284 G CA 0.095 45.451 45.100 0.427 0.000 0.650 284 G HN 0.513 nan 8.290 nan 0.000 0.529 285 H N 0.813 120.020 119.070 0.229 0.000 2.767 285 H HA 0.501 5.055 4.556 -0.004 0.000 0.316 285 H C 0.898 176.328 175.328 0.171 0.000 1.059 285 H CA -0.321 55.840 56.048 0.188 0.000 1.461 285 H CB 0.451 30.348 29.762 0.226 0.000 1.475 285 H HN 0.376 nan 8.280 nan 0.000 0.531 286 R N 5.457 125.707 120.500 -0.417 0.000 2.345 286 R HA 0.023 4.361 4.340 -0.004 0.000 0.331 286 R C -0.035 175.765 176.300 -0.834 0.000 1.067 286 R CA -0.008 55.788 56.100 -0.507 0.000 0.962 286 R CB -0.301 29.793 30.300 -0.344 0.000 0.987 286 R HN 0.777 nan 8.270 nan 0.000 0.451 287 F N 3.002 122.614 119.950 -0.563 0.000 2.656 287 F HA 0.141 4.666 4.527 -0.004 0.000 0.291 287 F C 1.360 177.106 175.800 -0.090 0.000 1.122 287 F CA -0.457 57.311 58.000 -0.387 0.000 1.427 287 F CB -0.138 38.585 39.000 -0.462 0.000 1.125 287 F HN 0.306 nan 8.300 nan 0.000 0.583 288 M N 1.790 120.990 119.600 -0.666 0.000 2.082 288 M HA -0.093 4.385 4.480 -0.004 0.000 0.258 288 M C -0.541 175.747 176.300 -0.020 0.000 1.069 288 M CA 1.627 56.773 55.300 -0.257 0.000 1.102 288 M CB -2.468 29.904 32.600 -0.380 0.000 1.336 288 M HN 0.068 nan 8.290 nan 0.000 0.404 289 P HA -0.133 nan 4.420 nan 0.000 0.218 289 P C 0.837 178.145 177.300 0.013 0.000 1.148 289 P CA 1.217 64.298 63.100 -0.032 0.000 0.822 289 P CB -0.122 31.542 31.700 -0.059 0.000 0.784 290 D N -1.690 118.723 120.400 0.022 0.000 2.104 290 D HA -0.185 4.453 4.640 -0.004 0.000 0.194 290 D C 1.754 177.965 176.300 -0.148 0.000 0.994 290 D CA 1.555 55.516 54.000 -0.065 0.000 0.830 290 D CB -0.821 39.906 40.800 -0.121 0.000 0.959 290 D HN 0.326 nan 8.370 nan 0.000 0.452 291 Y N 0.190 120.544 120.300 0.089 0.000 2.347 291 Y HA 0.146 4.694 4.550 -0.004 0.000 0.294 291 Y C 0.817 176.749 175.900 0.053 0.000 1.117 291 Y CA 0.384 58.535 58.100 0.084 0.000 1.184 291 Y CB 0.447 38.977 38.460 0.117 0.000 1.047 291 Y HN -0.213 nan 8.280 nan 0.000 0.546 292 E N 0.214 120.526 120.200 0.186 0.000 2.916 292 E HA 0.222 4.570 4.350 -0.004 0.000 0.217 292 E C -2.235 174.395 176.600 0.050 0.000 1.100 292 E CA -1.809 54.652 56.400 0.102 0.000 0.891 292 E CB 1.034 30.781 29.700 0.077 0.000 1.311 292 E HN 0.179 nan 8.360 nan 0.000 0.421 293 P HA -0.212 nan 4.420 nan 0.000 0.216 293 P C 1.324 178.631 177.300 0.013 0.000 1.150 293 P CA 1.290 64.400 63.100 0.018 0.000 0.843 293 P CB 0.708 32.419 31.700 0.018 0.000 0.787 294 E N -0.317 119.897 120.200 0.022 0.000 2.004 294 E HA -0.179 4.169 4.350 -0.004 0.000 0.194 294 E C 1.917 178.525 176.600 0.012 0.000 0.981 294 E CA 1.098 57.510 56.400 0.020 0.000 0.842 294 E CB -0.230 29.489 29.700 0.033 0.000 0.796 294 E HN -0.165 nan 8.360 nan 0.000 0.477 295 K N 0.457 120.868 120.400 0.018 0.000 2.209 295 K HA -0.087 4.231 4.320 -0.004 0.000 0.204 295 K C 0.564 177.151 176.600 -0.022 0.000 1.048 295 K CA 0.942 57.231 56.287 0.003 0.000 0.940 295 K CB -0.082 32.425 32.500 0.012 0.000 0.729 295 K HN 0.164 nan 8.250 nan 0.000 0.451 296 K N -0.609 119.778 120.400 -0.021 0.000 1.882 296 K HA -0.237 4.081 4.320 -0.004 0.000 0.199 296 K C 0.499 177.046 176.600 -0.089 0.000 1.562 296 K CA 2.050 58.304 56.287 -0.055 0.000 0.515 296 K CB -1.062 31.395 32.500 -0.072 0.000 0.682 296 K HN 0.331 nan 8.250 nan 0.000 0.843 297 E N 1.805 121.924 120.200 -0.136 0.000 2.505 297 E HA -0.103 4.245 4.350 -0.004 0.000 0.197 297 E C 0.985 177.512 176.600 -0.123 0.000 1.111 297 E CA 0.969 57.273 56.400 -0.160 0.000 0.887 297 E CB -0.077 29.501 29.700 -0.203 0.000 0.913 297 E HN 0.462 nan 8.360 nan 0.000 0.517 298 L N 0.612 121.780 121.223 -0.092 0.000 2.769 298 L HA 0.316 4.654 4.340 -0.004 0.000 0.240 298 L C 0.986 177.811 176.870 -0.076 0.000 1.163 298 L CA -0.418 54.372 54.840 -0.083 0.000 0.962 298 L CB 0.306 42.329 42.059 -0.059 0.000 1.258 298 L HN 0.014 nan 8.230 nan 0.000 0.513 299 A N 0.329 123.109 122.820 -0.068 0.000 2.366 299 A HA 0.328 4.645 4.320 -0.004 0.000 0.250 299 A C 0.842 178.370 177.584 -0.093 0.000 1.099 299 A CA -0.025 51.985 52.037 -0.045 0.000 0.794 299 A CB 0.195 19.186 19.000 -0.015 0.000 1.056 299 A HN 0.364 nan 8.150 nan 0.000 0.499 300 S N 0.084 115.728 115.700 -0.093 0.000 2.563 300 S HA 0.099 4.567 4.470 -0.004 0.000 0.284 300 S C 1.100 175.575 174.600 -0.208 0.000 1.331 300 S CA 0.164 58.241 58.200 -0.206 0.000 1.047 300 S CB 0.436 63.441 63.200 -0.325 0.000 0.859 300 S HN 0.688 nan 8.310 nan 0.000 0.514 301 R N 1.203 121.538 120.500 -0.275 0.000 2.112 301 R HA -0.185 4.153 4.340 -0.004 0.000 0.242 301 R C 1.792 177.972 176.300 -0.200 0.000 1.137 301 R CA 2.179 58.120 56.100 -0.265 0.000 0.944 301 R CB -0.797 29.308 30.300 -0.325 0.000 0.857 301 R HN 0.800 nan 8.270 nan 0.000 0.435 302 D N -0.194 120.088 120.400 -0.196 0.000 2.157 302 D HA -0.178 4.460 4.640 -0.004 0.000 0.191 302 D C 1.798 178.070 176.300 -0.046 0.000 1.004 302 D CA 1.493 55.439 54.000 -0.090 0.000 0.854 302 D CB -0.011 40.781 40.800 -0.013 0.000 0.936 302 D HN -0.010 nan 8.370 nan 0.000 0.446 303 V N -0.421 119.487 119.914 -0.010 0.000 2.244 303 V HA -0.223 3.895 4.120 -0.004 0.000 0.244 303 V C 2.610 178.679 176.094 -0.040 0.000 1.042 303 V CA 1.354 63.665 62.300 0.018 0.000 1.006 303 V CB -0.587 31.271 31.823 0.059 0.000 0.641 303 V HN 0.112 nan 8.190 nan 0.000 0.446 304 V N 0.155 120.024 119.914 -0.074 0.000 2.278 304 V HA -0.324 3.793 4.120 -0.004 0.000 0.251 304 V C 2.598 178.638 176.094 -0.089 0.000 1.062 304 V CA 2.560 64.808 62.300 -0.087 0.000 1.038 304 V CB -1.011 30.738 31.823 -0.124 0.000 0.646 304 V HN 0.556 nan 8.190 nan 0.000 0.447 305 S N -0.702 114.924 115.700 -0.125 0.000 2.359 305 S HA -0.231 4.237 4.470 -0.004 0.000 0.224 305 S C 2.080 176.566 174.600 -0.190 0.000 1.035 305 S CA 1.787 59.897 58.200 -0.150 0.000 1.018 305 S CB -0.350 62.746 63.200 -0.173 0.000 0.876 305 S HN 0.560 nan 8.310 nan 0.000 0.448 306 R N 0.675 121.053 120.500 -0.203 0.000 2.073 306 R HA 0.035 4.373 4.340 -0.004 0.000 0.234 306 R C 2.545 178.826 176.300 -0.032 0.000 1.134 306 R CA 0.968 56.943 56.100 -0.209 0.000 0.952 306 R CB -0.228 30.018 30.300 -0.089 0.000 0.850 306 R HN 0.197 nan 8.270 nan 0.000 0.433 307 R N 0.696 121.142 120.500 -0.090 0.000 2.091 307 R HA -0.080 4.257 4.340 -0.004 0.000 0.238 307 R C 2.187 178.353 176.300 -0.224 0.000 1.136 307 R CA 1.553 57.495 56.100 -0.263 0.000 0.959 307 R CB -0.595 29.554 30.300 -0.252 0.000 0.856 307 R HN 0.343 nan 8.270 nan 0.000 0.437 308 M N -0.082 119.480 119.600 -0.062 0.000 2.213 308 M HA -0.123 4.355 4.480 -0.004 0.000 0.263 308 M C 1.864 178.113 176.300 -0.084 0.000 1.062 308 M CA 1.207 56.486 55.300 -0.035 0.000 1.105 308 M CB -0.176 32.440 32.600 0.027 0.000 1.385 308 M HN -0.021 nan 8.290 nan 0.000 0.417 309 I N 0.043 120.582 120.570 -0.052 0.000 2.406 309 I HA -0.141 4.027 4.170 -0.004 0.000 0.249 309 I C 2.083 178.236 176.117 0.059 0.000 1.122 309 I CA 1.386 62.691 61.300 0.009 0.000 1.431 309 I CB -1.212 36.809 38.000 0.036 0.000 1.087 309 I HN 0.346 nan 8.210 nan 0.000 0.424 310 E N -0.062 120.181 120.200 0.072 0.000 2.031 310 E HA -0.277 4.071 4.350 -0.004 0.000 0.193 310 E C 2.194 178.778 176.600 -0.026 0.000 0.994 310 E CA 1.409 57.816 56.400 0.011 0.000 0.800 310 E CB -0.221 29.458 29.700 -0.036 0.000 0.752 310 E HN 0.446 nan 8.360 nan 0.000 0.447 311 H N 0.693 119.623 119.070 -0.233 0.000 2.319 311 H HA -0.124 4.429 4.556 -0.004 0.000 0.297 311 H C 1.941 177.150 175.328 -0.198 0.000 1.097 311 H CA 1.819 57.728 56.048 -0.232 0.000 1.285 311 H CB -0.162 29.216 29.762 -0.641 0.000 1.368 311 H HN 0.103 nan 8.280 nan 0.000 0.495 312 I N -0.112 120.367 120.570 -0.151 0.000 2.226 312 I HA -0.278 3.890 4.170 -0.004 0.000 0.245 312 I C 2.479 178.513 176.117 -0.138 0.000 1.100 312 I CA 1.316 62.517 61.300 -0.166 0.000 1.374 312 I CB -0.289 37.634 38.000 -0.128 0.000 1.057 312 I HN 0.274 nan 8.210 nan 0.000 0.413 313 R N 1.029 121.472 120.500 -0.094 0.000 2.120 313 R HA -0.133 4.205 4.340 -0.004 0.000 0.234 313 R C 1.818 178.063 176.300 -0.092 0.000 1.123 313 R CA 0.948 57.001 56.100 -0.078 0.000 0.975 313 R CB -0.279 29.983 30.300 -0.063 0.000 0.866 313 R HN 0.374 nan 8.270 nan 0.000 0.446 314 K N -0.092 120.239 120.400 -0.115 0.000 2.589 314 K HA 0.015 4.333 4.320 -0.004 0.000 0.192 314 K C 0.783 177.290 176.600 -0.154 0.000 1.029 314 K CA 0.531 56.747 56.287 -0.118 0.000 1.031 314 K CB 0.272 32.709 32.500 -0.106 0.000 0.821 314 K HN 0.389 nan 8.250 nan 0.000 0.502 315 G N 1.889 110.593 108.800 -0.159 0.000 2.143 315 G HA2 -0.283 3.675 3.960 -0.004 0.000 0.248 315 G HA3 -0.283 3.675 3.960 -0.004 0.000 0.248 315 G C 0.626 175.419 174.900 -0.178 0.000 0.991 315 G CA 0.445 45.460 45.100 -0.141 0.000 0.689 315 G HN 0.217 nan 8.290 nan 0.000 0.522 316 K N 0.715 120.936 120.400 -0.300 0.000 2.397 316 K HA 0.447 4.765 4.320 -0.004 0.000 0.202 316 K C 1.486 177.967 176.600 -0.199 0.000 1.022 316 K CA 0.639 56.740 56.287 -0.310 0.000 1.141 316 K CB -0.114 31.965 32.500 -0.702 0.000 0.857 316 K HN 0.537 nan 8.250 nan 0.000 0.514 317 G N -0.166 108.517 108.800 -0.195 0.000 2.476 317 G HA2 0.339 4.297 3.960 -0.004 0.000 0.286 317 G HA3 0.339 4.297 3.960 -0.004 0.000 0.286 317 G C -0.743 174.025 174.900 -0.220 0.000 1.177 317 G CA -0.598 44.381 45.100 -0.203 0.000 0.870 317 G HN 0.026 nan 8.290 nan 0.000 0.528 318 V N 1.824 121.504 119.914 -0.390 0.000 2.614 318 V HA 0.137 4.255 4.120 -0.004 0.000 0.291 318 V C -0.062 175.803 176.094 -0.381 0.000 1.049 318 V CA -0.494 61.538 62.300 -0.448 0.000 1.038 318 V CB 1.370 32.612 31.823 -0.968 0.000 0.980 318 V HN 0.581 nan 8.190 nan 0.000 0.481 319 Q N 3.001 122.701 119.800 -0.167 0.000 2.296 319 Q HA 0.506 4.844 4.340 -0.004 0.000 0.257 319 Q C -0.065 175.938 176.000 0.005 0.000 0.942 319 Q CA 0.180 55.940 55.803 -0.072 0.000 0.939 319 Q CB 1.621 30.343 28.738 -0.028 0.000 1.198 319 Q HN 0.870 nan 8.270 nan 0.000 0.429 320 S N 2.611 118.353 115.700 0.069 0.000 2.632 320 S HA 0.606 5.073 4.470 -0.004 0.000 0.289 320 S C -1.983 172.642 174.600 0.040 0.000 1.115 320 S CA -1.475 56.819 58.200 0.158 0.000 0.889 320 S CB 1.359 64.836 63.200 0.462 0.000 1.116 320 S HN 0.339 nan 8.310 nan 0.000 0.486 321 P HA 0.017 nan 4.420 nan 0.000 0.230 321 P C 0.009 177.075 177.300 -0.391 0.000 1.158 321 P CA 0.970 63.857 63.100 -0.354 0.000 0.769 321 P CB -0.196 31.171 31.700 -0.556 0.000 0.807 322 Y N -0.543 119.873 120.300 0.193 0.000 2.481 322 Y HA 0.512 5.060 4.550 -0.003 0.000 0.247 322 Y C 1.611 177.736 175.900 0.375 0.000 1.151 322 Y CA 0.207 58.412 58.100 0.176 0.000 1.238 322 Y CB 0.305 38.738 38.460 -0.044 0.000 1.179 322 Y HN 0.042 nan 8.280 nan 0.000 0.524 323 G N 0.097 109.158 108.800 0.435 0.000 2.331 323 G HA2 -0.035 3.923 3.960 -0.004 0.000 0.402 323 G HA3 -0.035 3.923 3.960 -0.004 0.000 0.402 323 G C -1.441 173.541 174.900 0.137 0.000 1.275 323 G CA -1.249 44.037 45.100 0.310 0.000 1.003 323 G HN -0.011 nan 8.290 nan 0.000 0.500 324 Q N 0.618 120.384 119.800 -0.057 0.000 2.235 324 Q HA 0.579 4.917 4.340 -0.004 0.000 0.250 324 Q C 0.253 175.963 176.000 -0.483 0.000 0.909 324 Q CA -0.669 54.992 55.803 -0.237 0.000 0.910 324 Q CB 1.529 30.161 28.738 -0.177 0.000 1.223 324 Q HN 0.810 nan 8.270 nan 0.000 0.432 325 H N 0.568 119.272 119.070 -0.610 0.000 2.959 325 H HA 0.690 5.244 4.556 -0.004 0.000 0.296 325 H C -1.187 173.848 175.328 -0.488 0.000 1.421 325 H CA -0.951 54.670 56.048 -0.712 0.000 1.206 325 H CB 0.924 30.048 29.762 -1.063 0.000 1.891 325 H HN 0.491 nan 8.280 nan 0.000 0.573 326 L N -1.249 119.821 121.223 -0.255 0.000 2.171 326 L HA 0.450 4.787 4.340 -0.004 0.000 0.253 326 L C -1.172 175.615 176.870 -0.138 0.000 1.054 326 L CA -0.952 53.761 54.840 -0.211 0.000 0.927 326 L CB 2.104 44.178 42.059 0.024 0.000 1.513 326 L HN 0.511 nan 8.230 nan 0.000 0.471 327 W N 0.752 122.197 121.300 0.241 0.000 2.689 327 W HA 0.638 5.295 4.660 -0.004 0.000 0.340 327 W C -1.034 175.519 176.519 0.056 0.000 1.060 327 W CA -0.528 56.950 57.345 0.223 0.000 1.218 327 W CB 1.723 31.352 29.460 0.282 0.000 1.410 327 W HN 0.016 nan 8.180 nan 0.000 0.528 328 L N 3.499 124.927 121.223 0.341 0.000 2.319 328 L HA 0.436 4.774 4.340 -0.004 0.000 0.281 328 L C -0.956 175.929 176.870 0.024 0.000 1.005 328 L CA -0.334 54.575 54.840 0.115 0.000 0.828 328 L CB 0.909 43.046 42.059 0.131 0.000 1.227 328 L HN 0.309 nan 8.230 nan 0.000 0.415 329 D N 5.342 125.620 120.400 -0.203 0.000 2.441 329 D HA 0.260 4.898 4.640 -0.004 0.000 0.231 329 D C 0.676 176.906 176.300 -0.116 0.000 1.073 329 D CA -0.357 53.448 54.000 -0.325 0.000 0.850 329 D CB 0.944 41.258 40.800 -0.810 0.000 1.062 329 D HN 0.566 nan 8.370 nan 0.000 0.524 330 I N 1.364 121.939 120.570 0.008 0.000 4.070 330 I HA 0.026 4.194 4.170 -0.004 0.000 0.328 330 I C 1.580 177.735 176.117 0.063 0.000 1.298 330 I CA 0.008 61.327 61.300 0.032 0.000 1.173 330 I CB -0.941 37.091 38.000 0.053 0.000 1.051 330 I HN 0.248 nan 8.210 nan 0.000 0.409 331 S N 3.928 119.686 115.700 0.098 0.000 2.392 331 S HA -0.248 4.220 4.470 -0.004 0.000 0.232 331 S C 1.961 176.609 174.600 0.081 0.000 1.041 331 S CA 1.764 60.032 58.200 0.113 0.000 1.026 331 S CB -1.423 61.888 63.200 0.184 0.000 0.845 331 S HN 0.620 nan 8.310 nan 0.000 0.465 332 I N -0.066 120.537 120.570 0.056 0.000 3.164 332 I HA 0.139 4.307 4.170 -0.004 0.000 0.278 332 I C 1.614 177.740 176.117 0.015 0.000 1.320 332 I CA 0.761 62.079 61.300 0.029 0.000 1.422 332 I CB -0.867 37.131 38.000 -0.004 0.000 1.066 332 I HN 0.254 nan 8.210 nan 0.000 0.503 333 L N 1.159 122.406 121.223 0.040 0.000 2.567 333 L HA 0.443 4.780 4.340 -0.004 0.000 0.225 333 L C 1.143 178.052 176.870 0.066 0.000 1.119 333 L CA 0.303 55.167 54.840 0.041 0.000 0.871 333 L CB -0.899 41.265 42.059 0.175 0.000 1.036 333 L HN 0.620 nan 8.230 nan 0.000 0.459 334 G N 0.420 109.261 108.800 0.069 0.000 2.690 334 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.686 334 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.686 334 G C 0.114 175.066 174.900 0.086 0.000 1.277 334 G CA -0.092 45.049 45.100 0.069 0.000 0.799 334 G HN 0.157 nan 8.290 nan 0.000 0.613 335 R N 0.344 120.880 120.500 0.060 0.000 2.075 335 R HA 0.069 4.407 4.340 -0.004 0.000 0.226 335 R C 2.565 178.893 176.300 0.045 0.000 1.114 335 R CA 1.647 57.774 56.100 0.045 0.000 0.972 335 R CB -0.281 30.036 30.300 0.028 0.000 0.869 335 R HN 0.600 nan 8.270 nan 0.000 0.437 336 K N -1.038 119.396 120.400 0.056 0.000 2.147 336 K HA -0.201 4.116 4.320 -0.004 0.000 0.205 336 K C 1.952 178.597 176.600 0.076 0.000 1.049 336 K CA 1.547 57.866 56.287 0.054 0.000 0.936 336 K CB -0.249 32.283 32.500 0.054 0.000 0.722 336 K HN 0.289 nan 8.250 nan 0.000 0.446 337 H N 0.945 120.018 119.070 0.005 0.000 2.428 337 H HA 0.048 4.601 4.556 -0.004 0.000 0.296 337 H C 1.668 176.996 175.328 0.000 0.000 1.062 337 H CA 1.274 57.325 56.048 0.004 0.000 1.350 337 H CB 0.074 29.838 29.762 0.004 0.000 1.403 337 H HN 0.074 nan 8.280 nan 0.000 0.533 338 I N 0.173 120.706 120.570 -0.062 0.000 2.277 338 I HA -0.138 4.030 4.170 -0.004 0.000 0.243 338 I C 1.605 177.664 176.117 -0.097 0.000 1.094 338 I CA 1.179 62.414 61.300 -0.108 0.000 1.393 338 I CB -0.243 37.747 38.000 -0.018 0.000 1.078 338 I HN 0.293 nan 8.210 nan 0.000 0.417 339 E N 0.363 120.532 120.200 -0.052 0.000 2.515 339 E HA -0.124 4.224 4.350 -0.004 0.000 0.201 339 E C 1.497 178.069 176.600 -0.047 0.000 1.071 339 E CA 1.332 57.706 56.400 -0.043 0.000 0.880 339 E CB -0.046 29.640 29.700 -0.023 0.000 0.828 339 E HN 0.657 nan 8.360 nan 0.000 0.540 340 T N -3.468 111.042 114.554 -0.072 0.000 3.115 340 T HA 0.087 4.435 4.350 -0.004 0.000 0.256 340 T C 1.505 176.150 174.700 -0.091 0.000 0.970 340 T CA -0.339 61.725 62.100 -0.059 0.000 1.010 340 T CB 0.089 68.940 68.868 -0.028 0.000 1.151 340 T HN -0.082 nan 8.240 nan 0.000 0.479 341 N N 0.959 119.550 118.700 -0.182 0.000 2.415 341 N HA 0.239 4.977 4.740 -0.004 0.000 0.174 341 N C 0.145 175.534 175.510 -0.201 0.000 1.048 341 N CA 0.618 53.537 53.050 -0.219 0.000 0.895 341 N CB 0.577 38.831 38.487 -0.389 0.000 1.036 341 N HN 0.293 nan 8.380 nan 0.000 0.449 342 L N 0.627 121.729 121.223 -0.202 0.000 3.255 342 L HA 0.333 4.671 4.340 -0.004 0.000 0.293 342 L C 1.600 178.420 176.870 -0.084 0.000 1.302 342 L CA -0.035 54.727 54.840 -0.131 0.000 0.977 342 L CB 0.458 42.443 42.059 -0.125 0.000 1.390 342 L HN -0.076 nan 8.230 nan 0.000 0.588 343 R N 0.369 120.823 120.500 -0.076 0.000 2.200 343 R HA -0.216 4.121 4.340 -0.004 0.000 0.234 343 R C 1.426 177.705 176.300 -0.036 0.000 1.127 343 R CA 1.915 57.984 56.100 -0.052 0.000 0.989 343 R CB 0.199 30.473 30.300 -0.043 0.000 0.869 343 R HN 0.454 nan 8.270 nan 0.000 0.459 344 D N -0.886 119.496 120.400 -0.031 0.000 2.249 344 D HA -0.083 4.555 4.640 -0.004 0.000 0.205 344 D C 1.667 177.972 176.300 0.009 0.000 0.962 344 D CA 0.333 54.330 54.000 -0.006 0.000 0.860 344 D CB 0.309 41.100 40.800 -0.015 0.000 0.955 344 D HN 0.066 nan 8.370 nan 0.000 0.505 345 V N 0.165 120.074 119.914 -0.008 0.000 2.591 345 V HA -0.123 3.995 4.120 -0.004 0.000 0.249 345 V C 2.168 178.271 176.094 0.016 0.000 1.053 345 V CA 1.686 63.992 62.300 0.010 0.000 1.068 345 V CB -0.206 31.617 31.823 -0.000 0.000 0.689 345 V HN 0.258 nan 8.190 nan 0.000 0.462 346 Q N -0.458 119.334 119.800 -0.013 0.000 2.167 346 Q HA -0.211 4.127 4.340 -0.004 0.000 0.202 346 Q C 2.049 178.000 176.000 -0.081 0.000 0.970 346 Q CA 1.952 57.735 55.803 -0.033 0.000 0.855 346 Q CB 0.008 28.717 28.738 -0.048 0.000 0.911 346 Q HN 0.762 nan 8.270 nan 0.000 0.438 347 E N 0.087 120.238 120.200 -0.081 0.000 2.112 347 E HA -0.140 4.207 4.350 -0.004 0.000 0.190 347 E C 1.982 178.565 176.600 -0.029 0.000 0.979 347 E CA 0.674 56.955 56.400 -0.199 0.000 0.814 347 E CB 0.097 29.785 29.700 -0.022 0.000 0.762 347 E HN 0.371 nan 8.360 nan 0.000 0.460 348 I N 1.264 121.935 120.570 0.168 0.000 2.163 348 I HA -0.290 3.877 4.170 -0.004 0.000 0.243 348 I C 2.469 178.782 176.117 0.327 0.000 1.085 348 I CA 1.117 62.635 61.300 0.364 0.000 1.347 348 I CB -1.379 36.741 38.000 0.201 0.000 1.044 348 I HN 0.251 nan 8.210 nan 0.000 0.408 349 C N 0.584 119.973 119.300 0.150 0.000 2.435 349 C HA -0.098 4.359 4.460 -0.004 0.000 0.279 349 C C 2.672 177.700 174.990 0.064 0.000 1.321 349 C CA 0.404 59.496 59.018 0.123 0.000 1.752 349 C CB -0.940 26.856 27.740 0.093 0.000 1.959 349 C HN 0.521 nan 8.230 nan 0.000 0.500 350 E N -0.225 119.945 120.200 -0.050 0.000 2.033 350 E HA -0.140 4.208 4.350 -0.004 0.000 0.189 350 E C 1.952 178.474 176.600 -0.130 0.000 0.979 350 E CA 1.221 57.537 56.400 -0.140 0.000 0.802 350 E CB -0.313 29.206 29.700 -0.302 0.000 0.763 350 E HN 0.669 nan 8.360 nan 0.000 0.449 351 Y N -0.282 119.914 120.300 -0.173 0.000 2.181 351 Y HA -0.170 4.378 4.550 -0.004 0.000 0.288 351 Y C 1.946 177.476 175.900 -0.617 0.000 1.146 351 Y CA 1.132 58.945 58.100 -0.478 0.000 1.164 351 Y CB -0.401 37.577 38.460 -0.804 0.000 0.982 351 Y HN 0.060 nan 8.280 nan 0.000 0.515 352 F N -2.693 117.350 119.950 0.155 0.000 2.694 352 F HA 0.364 4.888 4.527 -0.004 0.000 0.292 352 F C 2.015 177.841 175.800 0.044 0.000 1.121 352 F CA 0.523 58.568 58.000 0.075 0.000 1.352 352 F CB -0.204 38.827 39.000 0.051 0.000 1.107 352 F HN -0.103 nan 8.300 nan 0.000 0.597 353 A N -0.221 122.719 122.820 0.200 0.000 2.343 353 A HA 0.512 4.830 4.320 -0.004 0.000 0.223 353 A C 1.739 179.386 177.584 0.105 0.000 1.214 353 A CA 0.499 52.624 52.037 0.147 0.000 0.900 353 A CB -0.710 18.386 19.000 0.161 0.000 0.942 353 A HN 0.444 nan 8.150 nan 0.000 0.507 354 G N 0.505 109.345 108.800 0.066 0.000 2.295 354 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.287 354 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.287 354 G C 0.020 174.942 174.900 0.036 0.000 1.055 354 G CA 0.838 45.959 45.100 0.035 0.000 0.922 354 G HN 1.634 nan 8.290 nan 0.000 0.503 355 I N -3.948 116.644 120.570 0.036 0.000 2.913 355 I HA 0.739 4.907 4.170 -0.004 0.000 0.302 355 I C -1.155 174.972 176.117 0.017 0.000 1.246 355 I CA -1.660 59.662 61.300 0.037 0.000 1.010 355 I CB 2.313 40.363 38.000 0.084 0.000 1.259 355 I HN -0.048 nan 8.210 nan 0.000 0.434 356 D N 6.050 126.456 120.400 0.010 0.000 2.396 356 D HA 0.401 5.039 4.640 -0.004 0.000 0.225 356 D C -1.539 174.784 176.300 0.037 0.000 1.121 356 D CA -2.328 51.673 54.000 0.002 0.000 0.853 356 D CB 1.540 42.332 40.800 -0.013 0.000 1.043 356 D HN 0.364 nan 8.370 nan 0.000 0.500 357 P HA -0.183 nan 4.420 nan 0.000 0.222 357 P C 0.656 178.010 177.300 0.090 0.000 1.142 357 P CA 0.695 63.848 63.100 0.088 0.000 0.788 357 P CB 0.253 31.994 31.700 0.069 0.000 0.767 358 A N -0.673 122.182 122.820 0.057 0.000 2.238 358 A HA 0.045 4.363 4.320 -0.004 0.000 0.210 358 A C 1.889 179.507 177.584 0.057 0.000 1.179 358 A CA 0.493 52.564 52.037 0.057 0.000 0.827 358 A CB -0.293 18.726 19.000 0.033 0.000 0.856 358 A HN 0.169 nan 8.150 nan 0.000 0.488 359 E N -0.748 119.480 120.200 0.047 0.000 2.399 359 E HA 0.127 4.475 4.350 -0.004 0.000 0.206 359 E C 0.001 176.597 176.600 -0.007 0.000 0.812 359 E CA 0.201 56.610 56.400 0.016 0.000 1.138 359 E CB 0.539 30.232 29.700 -0.011 0.000 1.140 359 E HN 0.380 nan 8.360 nan 0.000 0.536 360 K N 0.150 120.562 120.400 0.021 0.000 2.346 360 K HA 0.369 4.687 4.320 -0.004 0.000 0.238 360 K C -1.052 175.672 176.600 0.207 0.000 1.039 360 K CA -0.875 55.389 56.287 -0.039 0.000 0.861 360 K CB 1.301 33.763 32.500 -0.063 0.000 1.278 360 K HN -0.151 nan 8.250 nan 0.000 0.460 361 W N 0.633 121.886 121.300 -0.078 0.000 2.496 361 W HA 0.502 5.160 4.660 -0.004 0.000 0.327 361 W C -0.149 176.524 176.519 0.256 0.000 1.086 361 W CA -1.329 56.029 57.345 0.022 0.000 1.222 361 W CB 0.874 30.239 29.460 -0.158 0.000 1.304 361 W HN 0.569 nan 8.180 nan 0.000 0.547 362 A N 5.978 129.126 122.820 0.546 0.000 2.301 362 A HA 0.594 4.912 4.320 -0.004 0.000 0.298 362 A C -2.158 175.752 177.584 0.544 0.000 1.185 362 A CA -1.516 50.799 52.037 0.464 0.000 0.830 362 A CB 0.024 19.190 19.000 0.276 0.000 1.112 362 A HN 0.290 nan 8.150 nan 0.000 0.508 363 P HA 0.294 nan 4.420 nan 0.000 0.276 363 P C -0.307 177.032 177.300 0.066 0.000 1.243 363 P CA 0.237 63.328 63.100 -0.016 0.000 0.768 363 P CB 0.987 32.436 31.700 -0.417 0.000 0.856 364 V N 1.952 121.908 119.914 0.071 0.000 3.141 364 V HA 0.887 5.004 4.120 -0.004 0.000 0.312 364 V C -1.069 175.053 176.094 0.047 0.000 1.157 364 V CA -1.245 61.121 62.300 0.110 0.000 1.041 364 V CB 2.094 33.992 31.823 0.126 0.000 1.071 364 V HN 0.488 nan 8.190 nan 0.000 0.441 365 L N 1.042 122.317 121.223 0.087 0.000 2.700 365 L HA 0.725 5.063 4.340 -0.004 0.000 0.255 365 L C -3.124 173.807 176.870 0.102 0.000 0.933 365 L CA -0.823 54.041 54.840 0.041 0.000 0.920 365 L CB 2.308 44.354 42.059 -0.020 0.000 1.472 365 L HN 0.593 nan 8.230 nan 0.000 0.426 366 P HA 0.453 nan 4.420 nan 0.000 0.268 366 P C -1.016 176.406 177.300 0.204 0.000 1.205 366 P CA 0.198 63.357 63.100 0.100 0.000 0.771 366 P CB 0.586 32.280 31.700 -0.010 0.000 0.858 367 M N 0.601 120.377 119.600 0.292 0.000 2.622 367 M HA 0.246 4.723 4.480 -0.004 0.000 0.276 367 M C -0.398 175.950 176.300 0.079 0.000 1.265 367 M CA -1.099 54.368 55.300 0.278 0.000 0.850 367 M CB 1.961 34.649 32.600 0.146 0.000 1.720 367 M HN 0.220 nan 8.290 nan 0.000 0.465 368 Q N 1.429 120.990 119.800 -0.397 0.000 2.315 368 Q HA -0.039 4.299 4.340 -0.004 0.000 0.289 368 Q C -0.842 174.928 176.000 -0.383 0.000 1.044 368 Q CA 1.425 56.625 55.803 -1.004 0.000 0.920 368 Q CB 0.568 28.630 28.738 -1.126 0.000 1.214 368 Q HN 0.838 nan 8.270 nan 0.000 0.392 369 H N 3.231 122.030 119.070 -0.451 0.000 2.089 369 H HA 0.186 4.740 4.556 -0.004 0.000 0.206 369 H C -1.185 174.073 175.328 -0.117 0.000 0.872 369 H CA 0.196 56.136 56.048 -0.180 0.000 0.979 369 H CB 0.509 30.254 29.762 -0.028 0.000 1.266 369 H HN 0.586 nan 8.280 nan 0.000 0.389 370 Y N 0.627 120.748 120.300 -0.299 0.000 2.499 370 Y HA 0.600 5.148 4.550 -0.004 0.000 0.347 370 Y C -1.047 174.627 175.900 -0.377 0.000 0.987 370 Y CA -1.141 56.749 58.100 -0.351 0.000 1.044 370 Y CB 2.264 40.582 38.460 -0.236 0.000 1.245 370 Y HN 0.039 nan 8.280 nan 0.000 0.461 371 S N 6.144 121.058 115.700 -1.310 0.000 2.528 371 S HA 0.193 4.661 4.470 -0.004 0.000 0.303 371 S C 0.572 174.641 174.600 -0.884 0.000 1.123 371 S CA -0.619 56.952 58.200 -1.048 0.000 1.138 371 S CB 0.698 63.116 63.200 -1.303 0.000 0.984 371 S HN 0.827 nan 8.310 nan 0.000 0.474 372 M N 2.361 121.731 119.600 -0.384 0.000 2.229 372 M HA 0.064 4.541 4.480 -0.004 0.000 0.264 372 M C 1.603 177.877 176.300 -0.044 0.000 1.063 372 M CA 0.758 56.018 55.300 -0.068 0.000 1.114 372 M CB -0.536 32.058 32.600 -0.010 0.000 1.387 372 M HN 0.704 nan 8.290 nan 0.000 0.420 373 G N -0.873 107.906 108.800 -0.035 0.000 2.684 373 G HA2 0.476 4.433 3.960 -0.004 0.000 0.255 373 G HA3 0.476 4.433 3.960 -0.004 0.000 0.255 373 G C 0.134 175.100 174.900 0.110 0.000 1.219 373 G CA -0.002 45.133 45.100 0.059 0.000 0.901 373 G HN 0.606 nan 8.290 nan 0.000 0.548 374 G N -1.543 107.299 108.800 0.070 0.000 2.343 374 G HA2 0.310 4.268 3.960 -0.004 0.000 0.289 374 G HA3 0.310 4.268 3.960 -0.004 0.000 0.289 374 G C -0.764 174.133 174.900 -0.004 0.000 1.295 374 G CA -0.919 44.209 45.100 0.048 0.000 0.869 374 G HN 0.739 nan 8.290 nan 0.000 0.522 375 I N 0.975 121.533 120.570 -0.021 0.000 2.668 375 I HA 0.175 4.343 4.170 -0.004 0.000 0.285 375 I C 1.057 177.157 176.117 -0.027 0.000 1.168 375 I CA -0.181 61.093 61.300 -0.043 0.000 1.424 375 I CB 0.622 38.584 38.000 -0.063 0.000 1.377 375 I HN 0.418 nan 8.210 nan 0.000 0.560 376 R N 5.671 126.152 120.500 -0.032 0.000 2.438 376 R HA 0.347 4.685 4.340 -0.004 0.000 0.287 376 R C -0.334 175.951 176.300 -0.026 0.000 1.077 376 R CA -0.057 56.035 56.100 -0.012 0.000 1.034 376 R CB 0.551 30.840 30.300 -0.018 0.000 0.993 376 R HN 0.816 nan 8.270 nan 0.000 0.459 377 T N -0.140 114.422 114.554 0.014 0.000 2.838 377 T HA 0.528 4.875 4.350 -0.004 0.000 0.292 377 T C -0.598 174.128 174.700 0.043 0.000 1.113 377 T CA -0.881 61.213 62.100 -0.010 0.000 1.008 377 T CB 1.341 70.208 68.868 -0.001 0.000 1.259 377 T HN 0.535 nan 8.240 nan 0.000 0.520 378 D N -0.298 120.098 120.400 -0.007 0.000 2.511 378 D HA 0.172 4.810 4.640 -0.004 0.000 0.276 378 D C 1.348 177.720 176.300 0.121 0.000 1.220 378 D CA -0.781 53.245 54.000 0.045 0.000 1.077 378 D CB -0.160 40.622 40.800 -0.031 0.000 1.126 378 D HN 0.699 nan 8.370 nan 0.000 0.583 379 Y N -1.390 118.947 120.300 0.062 0.000 2.403 379 Y HA 0.080 4.628 4.550 -0.004 0.000 0.291 379 Y C 1.772 177.838 175.900 0.277 0.000 1.143 379 Y CA 0.787 58.960 58.100 0.122 0.000 1.257 379 Y CB -0.483 37.991 38.460 0.024 0.000 0.984 379 Y HN 0.133 nan 8.280 nan 0.000 0.550 380 R N 0.406 120.456 120.500 -0.750 0.000 2.275 380 R HA 0.225 4.563 4.340 -0.004 0.000 0.199 380 R C 1.570 177.872 176.300 0.002 0.000 0.989 380 R CA 0.697 56.365 56.100 -0.720 0.000 1.016 380 R CB -0.056 29.603 30.300 -1.070 0.000 0.918 380 R HN 0.633 nan 8.270 nan 0.000 0.473 381 G N 1.204 110.017 108.800 0.021 0.000 2.159 381 G HA2 -0.294 3.664 3.960 -0.004 0.000 0.227 381 G HA3 -0.294 3.664 3.960 -0.004 0.000 0.227 381 G C -0.190 174.600 174.900 -0.184 0.000 0.986 381 G CA -0.069 45.041 45.100 0.016 0.000 0.651 381 G HN 0.400 nan 8.290 nan 0.000 0.523 382 E N 0.581 120.486 120.200 -0.491 0.000 2.249 382 E HA 0.709 5.057 4.350 -0.004 0.000 0.280 382 E C 0.873 177.198 176.600 -0.458 0.000 1.016 382 E CA -0.015 55.833 56.400 -0.920 0.000 0.830 382 E CB 0.973 29.984 29.700 -1.148 0.000 1.081 382 E HN 0.623 nan 8.360 nan 0.000 0.395 383 A N 3.807 126.384 122.820 -0.406 0.000 2.250 383 A HA 0.172 4.489 4.320 -0.004 0.000 0.283 383 A C 0.920 178.381 177.584 -0.204 0.000 1.206 383 A CA -0.180 51.716 52.037 -0.236 0.000 0.840 383 A CB 0.473 19.355 19.000 -0.196 0.000 1.220 383 A HN 0.861 nan 8.150 nan 0.000 0.505 384 K N -1.340 118.975 120.400 -0.142 0.000 2.283 384 K HA -0.024 4.293 4.320 -0.004 0.000 0.202 384 K C 0.157 176.685 176.600 -0.120 0.000 1.048 384 K CA 0.477 56.697 56.287 -0.111 0.000 0.948 384 K CB -0.286 32.166 32.500 -0.080 0.000 0.742 384 K HN 0.457 nan 8.250 nan 0.000 0.458 385 L N 2.515 123.649 121.223 -0.148 0.000 2.312 385 L HA 0.205 4.543 4.340 -0.004 0.000 0.287 385 L C -0.848 175.919 176.870 -0.171 0.000 1.091 385 L CA -0.312 54.438 54.840 -0.150 0.000 0.846 385 L CB 0.474 42.428 42.059 -0.175 0.000 1.219 385 L HN -0.180 nan 8.230 nan 0.000 0.439 386 K N 3.755 124.074 120.400 -0.136 0.000 2.511 386 K HA 0.357 4.675 4.320 -0.004 0.000 0.280 386 K C 1.175 177.705 176.600 -0.116 0.000 1.008 386 K CA 1.293 57.506 56.287 -0.123 0.000 1.050 386 K CB 0.137 32.617 32.500 -0.034 0.000 0.889 386 K HN 0.848 nan 8.250 nan 0.000 0.484 387 G N 1.867 110.564 108.800 -0.171 0.000 2.199 387 G HA2 -0.274 3.684 3.960 -0.004 0.000 0.254 387 G HA3 -0.274 3.684 3.960 -0.004 0.000 0.254 387 G C -0.423 174.513 174.900 0.060 0.000 0.982 387 G CA 0.232 45.271 45.100 -0.101 0.000 0.632 387 G HN 0.522 nan 8.290 nan 0.000 0.529 388 L N 1.241 122.409 121.223 -0.091 0.000 2.272 388 L HA 0.879 5.217 4.340 -0.004 0.000 0.289 388 L C -0.594 176.186 176.870 -0.149 0.000 1.032 388 L CA -1.404 53.412 54.840 -0.040 0.000 0.810 388 L CB 0.420 42.409 42.059 -0.118 0.000 1.205 388 L HN -0.004 nan 8.230 nan 0.000 0.422 389 F N 2.545 122.352 119.950 -0.240 0.000 2.594 389 F HA 0.794 5.319 4.527 -0.003 0.000 0.335 389 F C 0.408 176.037 175.800 -0.286 0.000 1.058 389 F CA -0.627 57.210 58.000 -0.272 0.000 0.981 389 F CB 2.143 40.921 39.000 -0.370 0.000 1.289 389 F HN 0.478 nan 8.300 nan 0.000 0.490 390 S N 0.201 115.862 115.700 -0.065 0.000 2.541 390 S HA 0.909 5.377 4.470 -0.004 0.000 0.271 390 S C -1.606 172.891 174.600 -0.171 0.000 1.133 390 S CA -0.295 57.831 58.200 -0.124 0.000 0.876 390 S CB 1.427 64.566 63.200 -0.102 0.000 1.105 390 S HN 1.066 nan 8.310 nan 0.000 0.470 391 A N 1.880 124.588 122.820 -0.186 0.000 2.594 391 A HA 0.935 5.253 4.320 -0.004 0.000 0.295 391 A C 0.347 177.838 177.584 -0.156 0.000 1.071 391 A CA 0.085 51.973 52.037 -0.248 0.000 0.685 391 A CB 0.675 19.514 19.000 -0.268 0.000 1.285 391 A HN 2.413 nan 8.150 nan 0.000 0.405 392 G N 0.332 109.049 108.800 -0.139 0.000 2.632 392 G HA2 -0.130 3.828 3.960 -0.004 0.000 0.224 392 G HA3 -0.130 3.828 3.960 -0.004 0.000 0.224 392 G C 0.670 175.595 174.900 0.040 0.000 1.341 392 G CA 0.694 45.781 45.100 -0.022 0.000 0.880 392 G HN 1.346 nan 8.290 nan 0.000 0.566 393 E N -0.035 120.204 120.200 0.065 0.000 2.267 393 E HA -0.001 4.347 4.350 -0.004 0.000 0.197 393 E C 2.674 179.231 176.600 -0.071 0.000 0.998 393 E CA 1.745 58.150 56.400 0.007 0.000 0.830 393 E CB -0.383 29.277 29.700 -0.066 0.000 0.751 393 E HN 0.998 nan 8.360 nan 0.000 0.491 394 A N 0.439 123.233 122.820 -0.044 0.000 2.168 394 A HA 0.224 4.541 4.320 -0.004 0.000 0.215 394 A C 1.110 178.684 177.584 -0.017 0.000 1.152 394 A CA 0.870 52.887 52.037 -0.034 0.000 0.716 394 A CB -0.150 18.824 19.000 -0.044 0.000 0.794 394 A HN 0.319 nan 8.150 nan 0.000 0.465 395 A N -2.056 120.759 122.820 -0.009 0.000 2.263 395 A HA 0.526 4.844 4.320 -0.004 0.000 0.318 395 A C 0.041 177.664 177.584 0.065 0.000 1.111 395 A CA 0.019 52.062 52.037 0.009 0.000 0.901 395 A CB 0.654 19.640 19.000 -0.024 0.000 1.280 395 A HN 0.686 nan 8.150 nan 0.000 0.503 396 C N -0.158 119.191 119.300 0.082 0.000 3.290 396 C HA 0.322 4.780 4.460 -0.004 0.000 0.206 396 C C 0.702 175.793 174.990 0.169 0.000 1.639 396 C CA -0.923 58.158 59.018 0.104 0.000 1.408 396 C CB -1.847 25.923 27.740 0.049 0.000 2.197 396 C HN 0.893 nan 8.230 nan 0.000 0.508 397 W N 2.158 123.444 121.300 -0.024 0.000 2.350 397 W HA 0.090 4.748 4.660 -0.003 0.000 0.289 397 W C 0.784 177.286 176.519 -0.029 0.000 1.215 397 W CA 2.016 59.347 57.345 -0.022 0.000 1.236 397 W CB -0.292 29.150 29.460 -0.029 0.000 1.130 397 W HN 0.667 nan 8.180 nan 0.000 0.541 398 D N -0.698 119.794 120.400 0.155 0.000 4.621 398 D HA -0.237 4.400 4.640 -0.004 0.000 0.241 398 D C 0.450 176.650 176.300 -0.168 0.000 1.065 398 D CA 1.447 55.443 54.000 -0.007 0.000 1.247 398 D CB -1.152 39.658 40.800 0.018 0.000 0.793 398 D HN 0.451 nan 8.370 nan 0.000 0.391 399 M N 0.009 119.429 119.600 -0.301 0.000 2.241 399 M HA 0.232 4.710 4.480 -0.004 0.000 0.374 399 M C 0.567 176.629 176.300 -0.397 0.000 0.922 399 M CA -0.385 54.661 55.300 -0.423 0.000 1.031 399 M CB 0.682 32.925 32.600 -0.596 0.000 1.864 399 M HN 0.105 nan 8.290 nan 0.000 0.636 400 H N 1.210 120.225 119.070 -0.091 0.000 2.557 400 H HA 0.470 5.023 4.556 -0.004 0.000 0.281 400 H C 1.621 176.925 175.328 -0.041 0.000 0.990 400 H CA 1.021 57.023 56.048 -0.077 0.000 1.278 400 H CB 0.198 29.960 29.762 -0.001 0.000 1.451 400 H HN 0.530 nan 8.280 nan 0.000 0.516 401 G N 1.344 110.194 108.800 0.084 0.000 2.591 401 G HA2 -0.352 3.606 3.960 -0.004 0.000 0.298 401 G HA3 -0.352 3.606 3.960 -0.004 0.000 0.298 401 G C 0.403 175.323 174.900 0.034 0.000 1.195 401 G CA 0.670 45.841 45.100 0.118 0.000 0.989 401 G HN 0.335 nan 8.290 nan 0.000 0.551 402 F N 2.617 122.628 119.950 0.102 0.000 2.664 402 F HA 0.425 4.950 4.527 -0.003 0.000 0.303 402 F C 1.164 177.030 175.800 0.110 0.000 1.092 402 F CA 0.344 58.415 58.000 0.120 0.000 1.305 402 F CB 0.373 39.456 39.000 0.138 0.000 1.054 402 F HN 0.323 nan 8.300 nan 0.000 0.565 403 N N 0.608 119.416 118.700 0.180 0.000 2.812 403 N HA 0.060 4.798 4.740 -0.004 0.000 0.262 403 N C -0.928 174.589 175.510 0.012 0.000 1.241 403 N CA -0.595 52.514 53.050 0.097 0.000 0.854 403 N CB 1.285 39.845 38.487 0.122 0.000 1.506 403 N HN -0.115 nan 8.380 nan 0.000 0.576 404 R N 3.884 124.342 120.500 -0.069 0.000 2.594 404 R HA 0.302 4.639 4.340 -0.004 0.000 0.272 404 R C -0.901 175.270 176.300 -0.215 0.000 1.074 404 R CA 0.019 55.980 56.100 -0.232 0.000 1.105 404 R CB 0.611 30.419 30.300 -0.819 0.000 1.008 404 R HN 0.505 nan 8.270 nan 0.000 0.472 405 L N 2.879 124.010 121.223 -0.152 0.000 2.331 405 L HA 0.244 4.581 4.340 -0.004 0.000 0.278 405 L C 0.745 177.519 176.870 -0.160 0.000 1.106 405 L CA -0.282 54.474 54.840 -0.140 0.000 0.824 405 L CB 1.151 43.185 42.059 -0.043 0.000 1.142 405 L HN 0.882 nan 8.230 nan 0.000 0.443 406 G N 1.928 110.594 108.800 -0.224 0.000 2.254 406 G HA2 0.349 4.307 3.960 -0.004 0.000 0.253 406 G HA3 0.349 4.307 3.960 -0.004 0.000 0.253 406 G C 0.877 175.783 174.900 0.010 0.000 1.246 406 G CA 0.565 45.524 45.100 -0.236 0.000 0.946 406 G HN 1.102 nan 8.290 nan 0.000 0.474 407 G N 1.952 110.897 108.800 0.242 0.000 2.213 407 G HA2 -0.270 3.688 3.960 -0.004 0.000 0.226 407 G HA3 -0.270 3.688 3.960 -0.004 0.000 0.226 407 G C 0.989 176.019 174.900 0.216 0.000 0.992 407 G CA 0.430 45.725 45.100 0.326 0.000 0.632 407 G HN 0.684 nan 8.290 nan 0.000 0.511 408 N N 0.308 119.078 118.700 0.118 0.000 2.392 408 N HA 0.053 4.791 4.740 -0.004 0.000 0.177 408 N C 2.264 177.791 175.510 0.028 0.000 1.066 408 N CA 0.853 53.974 53.050 0.118 0.000 0.895 408 N CB 0.063 38.571 38.487 0.034 0.000 0.988 408 N HN 0.509 nan 8.380 nan 0.000 0.457 409 S N 0.505 116.145 115.700 -0.100 0.000 2.377 409 S HA -0.085 4.382 4.470 -0.004 0.000 0.223 409 S C 2.328 176.964 174.600 0.059 0.000 1.030 409 S CA 0.966 59.090 58.200 -0.127 0.000 0.970 409 S CB -0.723 62.200 63.200 -0.462 0.000 0.830 409 S HN 0.220 nan 8.310 nan 0.000 0.473 410 V N 0.176 120.138 119.914 0.079 0.000 2.548 410 V HA -0.029 4.089 4.120 -0.004 0.000 0.249 410 V C 2.445 178.642 176.094 0.173 0.000 1.055 410 V CA 1.723 64.092 62.300 0.115 0.000 1.065 410 V CB -1.212 30.677 31.823 0.109 0.000 0.681 410 V HN 0.482 nan 8.190 nan 0.000 0.462 411 S N 0.398 116.235 115.700 0.228 0.000 2.356 411 S HA -0.282 4.185 4.470 -0.004 0.000 0.223 411 S C 2.142 176.991 174.600 0.414 0.000 1.032 411 S CA 1.953 60.368 58.200 0.358 0.000 1.005 411 S CB -0.444 63.081 63.200 0.541 0.000 0.867 411 S HN 0.835 nan 8.310 nan 0.000 0.449 412 E N 0.443 120.811 120.200 0.281 0.000 2.110 412 E HA -0.128 4.219 4.350 -0.004 0.000 0.193 412 E C 2.103 178.793 176.600 0.149 0.000 0.988 412 E CA 1.023 57.551 56.400 0.214 0.000 0.804 412 E CB -0.418 29.340 29.700 0.096 0.000 0.745 412 E HN 0.575 nan 8.360 nan 0.000 0.458 413 A N 0.724 123.617 122.820 0.123 0.000 1.873 413 A HA -0.190 4.128 4.320 -0.004 0.000 0.218 413 A C 2.426 180.040 177.584 0.050 0.000 1.193 413 A CA 1.980 54.056 52.037 0.064 0.000 0.629 413 A CB -0.863 18.183 19.000 0.076 0.000 0.826 413 A HN 0.236 nan 8.150 nan 0.000 0.447 414 V N -0.633 119.338 119.914 0.095 0.000 2.307 414 V HA -0.190 3.927 4.120 -0.004 0.000 0.245 414 V C 2.540 178.663 176.094 0.049 0.000 1.045 414 V CA 1.784 64.131 62.300 0.079 0.000 1.024 414 V CB -0.913 30.971 31.823 0.102 0.000 0.651 414 V HN 0.352 nan 8.190 nan 0.000 0.449 415 V N 0.574 120.558 119.914 0.116 0.000 2.261 415 V HA -0.253 3.865 4.120 -0.004 0.000 0.246 415 V C 2.788 178.908 176.094 0.042 0.000 1.047 415 V CA 2.163 64.533 62.300 0.117 0.000 1.015 415 V CB -1.198 30.841 31.823 0.359 0.000 0.642 415 V HN 0.545 nan 8.190 nan 0.000 0.446 416 A N 0.485 123.267 122.820 -0.065 0.000 1.940 416 A HA -0.122 4.196 4.320 -0.004 0.000 0.219 416 A C 2.400 179.833 177.584 -0.252 0.000 1.176 416 A CA 1.966 53.717 52.037 -0.476 0.000 0.631 416 A CB -1.242 17.286 19.000 -0.786 0.000 0.814 416 A HN 0.560 nan 8.150 nan 0.000 0.446 417 G N -0.650 108.074 108.800 -0.126 0.000 2.432 417 G HA2 -0.209 3.748 3.960 -0.004 0.000 0.219 417 G HA3 -0.209 3.748 3.960 -0.004 0.000 0.219 417 G C 1.602 176.494 174.900 -0.014 0.000 1.135 417 G CA 1.258 46.322 45.100 -0.061 0.000 0.767 417 G HN 0.516 nan 8.290 nan 0.000 0.550 418 M N -0.315 119.260 119.600 -0.041 0.000 2.134 418 M HA 0.184 4.662 4.480 -0.004 0.000 0.262 418 M C 2.515 178.820 176.300 0.008 0.000 1.076 418 M CA 1.072 56.335 55.300 -0.061 0.000 1.143 418 M CB -0.244 32.146 32.600 -0.349 0.000 1.346 418 M HN 0.139 nan 8.290 nan 0.000 0.421 419 I N -0.457 120.107 120.570 -0.010 0.000 2.193 419 I HA -0.186 3.982 4.170 -0.004 0.000 0.240 419 I C 2.329 178.559 176.117 0.187 0.000 1.084 419 I CA 0.890 62.278 61.300 0.146 0.000 1.365 419 I CB -0.395 37.814 38.000 0.348 0.000 1.064 419 I HN 0.034 nan 8.210 nan 0.000 0.410 420 V N 1.345 121.334 119.914 0.125 0.000 2.490 420 V HA -0.203 3.915 4.120 -0.004 0.000 0.250 420 V C 2.621 178.802 176.094 0.146 0.000 1.061 420 V CA 2.045 64.446 62.300 0.169 0.000 1.064 420 V CB -1.520 30.259 31.823 -0.074 0.000 0.670 420 V HN 0.596 nan 8.190 nan 0.000 0.461 421 G N -0.308 108.544 108.800 0.086 0.000 2.469 421 G HA2 -0.248 3.709 3.960 -0.004 0.000 0.219 421 G HA3 -0.248 3.709 3.960 -0.004 0.000 0.219 421 G C 1.507 176.483 174.900 0.126 0.000 1.150 421 G CA 0.831 46.008 45.100 0.128 0.000 0.763 421 G HN 0.482 nan 8.290 nan 0.000 0.561 422 E N 0.235 120.485 120.200 0.084 0.000 2.015 422 E HA -0.084 4.264 4.350 -0.004 0.000 0.191 422 E C 2.310 178.901 176.600 -0.015 0.000 0.991 422 E CA 0.806 57.200 56.400 -0.009 0.000 0.802 422 E CB -0.544 29.095 29.700 -0.101 0.000 0.759 422 E HN 0.529 nan 8.360 nan 0.000 0.447 423 Y N 0.175 120.566 120.300 0.153 0.000 2.165 423 Y HA -0.216 4.332 4.550 -0.003 0.000 0.286 423 Y C 2.235 178.185 175.900 0.083 0.000 1.155 423 Y CA 1.028 59.228 58.100 0.167 0.000 1.164 423 Y CB -0.741 37.861 38.460 0.237 0.000 0.978 423 Y HN 0.070 nan 8.280 nan 0.000 0.513 424 F N 0.326 120.180 119.950 -0.160 0.000 2.102 424 F HA -0.175 4.349 4.527 -0.004 0.000 0.298 424 F C 2.337 177.981 175.800 -0.259 0.000 1.105 424 F CA 1.114 58.716 58.000 -0.662 0.000 1.239 424 F CB -0.979 37.637 39.000 -0.640 0.000 0.991 424 F HN -0.024 nan 8.300 nan 0.000 0.474 425 A N 0.001 122.699 122.820 -0.204 0.000 1.883 425 A HA -0.289 4.029 4.320 -0.004 0.000 0.217 425 A C 2.282 179.773 177.584 -0.154 0.000 1.186 425 A CA 1.979 53.871 52.037 -0.241 0.000 0.624 425 A CB -1.181 17.762 19.000 -0.095 0.000 0.822 425 A HN 0.602 nan 8.150 nan 0.000 0.444 426 E N -1.077 119.103 120.200 -0.034 0.000 2.051 426 E HA -0.312 4.036 4.350 -0.004 0.000 0.192 426 E C 1.879 178.497 176.600 0.030 0.000 0.991 426 E CA 1.580 57.995 56.400 0.025 0.000 0.799 426 E CB -0.330 29.438 29.700 0.113 0.000 0.748 426 E HN 0.835 nan 8.360 nan 0.000 0.449 427 H N -0.088 118.980 119.070 -0.003 0.000 2.290 427 H HA -0.171 4.383 4.556 -0.004 0.000 0.298 427 H C 2.134 177.432 175.328 -0.051 0.000 1.087 427 H CA 2.623 58.700 56.048 0.049 0.000 1.291 427 H CB -0.608 29.262 29.762 0.179 0.000 1.369 427 H HN 0.282 nan 8.280 nan 0.000 0.492 428 C N 0.749 119.935 119.300 -0.190 0.000 2.413 428 C HA -0.092 4.366 4.460 -0.004 0.000 0.276 428 C C 3.164 178.042 174.990 -0.185 0.000 1.248 428 C CA 1.127 59.999 59.018 -0.243 0.000 1.742 428 C CB -1.479 26.020 27.740 -0.402 0.000 2.017 428 C HN 0.815 nan 8.230 nan 0.000 0.481 429 A N 0.832 123.562 122.820 -0.150 0.000 1.898 429 A HA -0.174 4.144 4.320 -0.004 0.000 0.216 429 A C 1.859 179.396 177.584 -0.078 0.000 1.181 429 A CA 1.956 53.938 52.037 -0.092 0.000 0.620 429 A CB -0.687 18.272 19.000 -0.069 0.000 0.819 429 A HN 0.794 nan 8.150 nan 0.000 0.442 430 N N -1.333 117.313 118.700 -0.091 0.000 2.220 430 N HA -0.012 4.726 4.740 -0.004 0.000 0.182 430 N C 0.918 176.371 175.510 -0.094 0.000 1.023 430 N CA 0.800 53.809 53.050 -0.068 0.000 0.856 430 N CB -0.139 38.329 38.487 -0.031 0.000 0.997 430 N HN 0.372 nan 8.380 nan 0.000 0.429 431 T N 0.873 115.306 114.554 -0.202 0.000 2.903 431 T HA -0.011 4.336 4.350 -0.004 0.000 0.314 431 T C -0.609 174.043 174.700 -0.080 0.000 1.078 431 T CA 0.138 62.126 62.100 -0.188 0.000 1.114 431 T CB 0.500 69.101 68.868 -0.444 0.000 0.987 431 T HN -0.028 nan 8.240 nan 0.000 0.548 432 Q N 2.674 122.468 119.800 -0.011 0.000 2.321 432 Q HA 0.522 4.859 4.340 -0.004 0.000 0.270 432 Q C -1.021 175.025 176.000 0.078 0.000 1.032 432 Q CA -0.553 55.267 55.803 0.027 0.000 0.784 432 Q CB 2.119 30.869 28.738 0.020 0.000 1.264 432 Q HN 0.511 nan 8.270 nan 0.000 0.448 433 V N 1.970 121.945 119.914 0.102 0.000 2.667 433 V HA 0.304 4.422 4.120 -0.004 0.000 0.308 433 V C -0.354 175.761 176.094 0.035 0.000 1.048 433 V CA -0.640 61.752 62.300 0.152 0.000 0.928 433 V CB 2.094 34.070 31.823 0.255 0.000 1.004 433 V HN 0.642 nan 8.190 nan 0.000 0.444 434 D N 4.551 124.929 120.400 -0.036 0.000 2.454 434 D HA 0.308 4.946 4.640 -0.004 0.000 0.225 434 D C -0.731 175.360 176.300 -0.348 0.000 1.081 434 D CA -0.252 53.673 54.000 -0.125 0.000 0.864 434 D CB 0.976 41.744 40.800 -0.053 0.000 1.040 434 D HN 0.360 nan 8.370 nan 0.000 0.517 435 L N 3.798 124.863 121.223 -0.263 0.000 2.268 435 L HA 0.294 4.631 4.340 -0.004 0.000 0.289 435 L C 0.506 177.273 176.870 -0.172 0.000 1.064 435 L CA -0.409 54.258 54.840 -0.288 0.000 0.824 435 L CB 0.819 42.797 42.059 -0.136 0.000 1.202 435 L HN 0.160 nan 8.230 nan 0.000 0.433 436 E N 1.175 121.273 120.200 -0.170 0.000 2.146 436 E HA 0.092 4.440 4.350 -0.004 0.000 0.282 436 E C 1.026 177.607 176.600 -0.032 0.000 0.989 436 E CA -0.227 56.127 56.400 -0.076 0.000 0.799 436 E CB 1.432 31.102 29.700 -0.051 0.000 1.088 436 E HN 0.634 nan 8.360 nan 0.000 0.397 437 T N 0.635 115.177 114.554 -0.021 0.000 2.849 437 T HA -0.260 4.087 4.350 -0.004 0.000 0.270 437 T C 1.683 176.392 174.700 0.016 0.000 1.066 437 T CA 1.117 63.217 62.100 -0.001 0.000 1.130 437 T CB 0.026 68.890 68.868 -0.006 0.000 0.864 437 T HN 0.344 nan 8.240 nan 0.000 0.481 438 K N 0.833 121.240 120.400 0.011 0.000 2.097 438 K HA -0.113 4.205 4.320 -0.004 0.000 0.206 438 K C 2.275 178.899 176.600 0.040 0.000 1.049 438 K CA 1.668 57.965 56.287 0.016 0.000 0.933 438 K CB -0.387 32.118 32.500 0.008 0.000 0.717 438 K HN 0.396 nan 8.250 nan 0.000 0.442 439 T N 1.789 116.384 114.554 0.069 0.000 2.770 439 T HA -0.026 4.321 4.350 -0.004 0.000 0.263 439 T C 1.787 176.640 174.700 0.255 0.000 1.039 439 T CA 0.990 63.187 62.100 0.161 0.000 1.142 439 T CB -0.081 68.895 68.868 0.180 0.000 0.868 439 T HN 0.133 nan 8.240 nan 0.000 0.435 440 L N 0.897 122.213 121.223 0.156 0.000 2.012 440 L HA -0.145 4.193 4.340 -0.004 0.000 0.210 440 L C 2.719 179.680 176.870 0.153 0.000 1.073 440 L CA 1.658 56.589 54.840 0.153 0.000 0.748 440 L CB -0.724 41.379 42.059 0.074 0.000 0.891 440 L HN 0.348 nan 8.230 nan 0.000 0.431 441 E N 0.109 120.363 120.200 0.090 0.000 2.118 441 E HA -0.264 4.084 4.350 -0.004 0.000 0.195 441 E C 2.200 178.827 176.600 0.045 0.000 0.992 441 E CA 1.185 57.619 56.400 0.057 0.000 0.804 441 E CB -0.011 29.706 29.700 0.027 0.000 0.741 441 E HN 0.343 nan 8.360 nan 0.000 0.458 442 K N 0.322 120.740 120.400 0.029 0.000 2.002 442 K HA -0.157 4.161 4.320 -0.004 0.000 0.209 442 K C 1.886 178.413 176.600 -0.122 0.000 1.048 442 K CA 1.344 57.578 56.287 -0.088 0.000 0.930 442 K CB -0.133 32.250 32.500 -0.196 0.000 0.714 442 K HN 0.019 nan 8.250 nan 0.000 0.438 443 F N 0.514 120.459 119.950 -0.009 0.000 2.186 443 F HA -0.186 4.339 4.527 -0.003 0.000 0.299 443 F C 2.235 178.041 175.800 0.009 0.000 1.090 443 F CA 0.834 58.833 58.000 -0.003 0.000 1.307 443 F CB -0.318 38.685 39.000 0.006 0.000 1.019 443 F HN -0.140 nan 8.300 nan 0.000 0.489 444 V N -0.028 120.000 119.914 0.190 0.000 2.323 444 V HA -0.256 3.861 4.120 -0.004 0.000 0.244 444 V C 2.201 178.337 176.094 0.069 0.000 1.041 444 V CA 1.743 64.112 62.300 0.116 0.000 1.025 444 V CB -0.576 31.301 31.823 0.089 0.000 0.656 444 V HN 0.244 nan 8.190 nan 0.000 0.451 445 K N 0.299 120.725 120.400 0.044 0.000 2.147 445 K HA -0.086 4.232 4.320 -0.004 0.000 0.205 445 K C 2.237 178.846 176.600 0.016 0.000 1.049 445 K CA 1.283 57.583 56.287 0.022 0.000 0.936 445 K CB -0.592 31.911 32.500 0.004 0.000 0.722 445 K HN 0.557 nan 8.250 nan 0.000 0.446 446 G N 1.269 110.068 108.800 -0.002 0.000 2.446 446 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.217 446 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.217 446 G C 1.417 176.340 174.900 0.039 0.000 1.168 446 G CA 0.507 45.595 45.100 -0.021 0.000 0.771 446 G HN 0.190 nan 8.290 nan 0.000 0.551 447 Q N 0.314 120.156 119.800 0.071 0.000 2.297 447 Q HA 0.015 4.353 4.340 -0.004 0.000 0.204 447 Q C 2.348 178.405 176.000 0.094 0.000 0.962 447 Q CA 0.754 56.624 55.803 0.112 0.000 0.879 447 Q CB -0.096 28.693 28.738 0.085 0.000 0.947 447 Q HN 0.661 nan 8.270 nan 0.000 0.462 448 E N 0.697 120.933 120.200 0.060 0.000 2.072 448 E HA -0.082 4.265 4.350 -0.004 0.000 0.190 448 E C 1.935 178.563 176.600 0.047 0.000 0.982 448 E CA 0.816 57.239 56.400 0.039 0.000 0.803 448 E CB -0.009 29.710 29.700 0.031 0.000 0.755 448 E HN 0.293 nan 8.360 nan 0.000 0.453 449 A N 1.148 124.005 122.820 0.061 0.000 1.877 449 A HA -0.229 4.088 4.320 -0.004 0.000 0.216 449 A C 2.075 179.727 177.584 0.114 0.000 1.186 449 A CA 1.435 53.511 52.037 0.065 0.000 0.620 449 A CB -0.808 18.222 19.000 0.050 0.000 0.822 449 A HN 0.359 nan 8.150 nan 0.000 0.443 450 Y N 0.325 120.613 120.300 -0.020 0.000 2.097 450 Y HA -0.248 4.299 4.550 -0.004 0.000 0.282 450 Y C 2.373 178.267 175.900 -0.010 0.000 1.152 450 Y CA 1.967 60.056 58.100 -0.018 0.000 1.136 450 Y CB -0.462 37.980 38.460 -0.030 0.000 0.975 450 Y HN 0.228 nan 8.280 nan 0.000 0.498 451 M N 0.516 120.059 119.600 -0.096 0.000 2.080 451 M HA -0.255 4.222 4.480 -0.004 0.000 0.260 451 M C 2.271 178.511 176.300 -0.100 0.000 1.068 451 M CA 2.048 57.242 55.300 -0.176 0.000 1.109 451 M CB -1.343 31.203 32.600 -0.091 0.000 1.342 451 M HN 0.288 nan 8.290 nan 0.000 0.405 452 K N 0.510 120.890 120.400 -0.033 0.000 2.063 452 K HA -0.173 4.145 4.320 -0.004 0.000 0.208 452 K C 2.163 178.753 176.600 -0.017 0.000 1.048 452 K CA 2.129 58.407 56.287 -0.014 0.000 0.928 452 K CB -0.081 32.423 32.500 0.007 0.000 0.713 452 K HN 0.396 nan 8.250 nan 0.000 0.442 453 S N 0.830 116.529 115.700 -0.002 0.000 2.382 453 S HA -0.141 4.327 4.470 -0.004 0.000 0.228 453 S C 2.090 176.673 174.600 -0.028 0.000 1.027 453 S CA 1.062 59.268 58.200 0.010 0.000 0.991 453 S CB -0.559 62.683 63.200 0.070 0.000 0.823 453 S HN 0.352 nan 8.310 nan 0.000 0.469 454 L N 0.955 122.120 121.223 -0.097 0.000 2.017 454 L HA -0.040 4.297 4.340 -0.004 0.000 0.208 454 L C 2.751 179.576 176.870 -0.075 0.000 1.073 454 L CA 1.194 55.961 54.840 -0.122 0.000 0.745 454 L CB -0.744 41.180 42.059 -0.226 0.000 0.894 454 L HN 0.247 nan 8.230 nan 0.000 0.432 455 V N -0.148 119.728 119.914 -0.063 0.000 2.594 455 V HA -0.237 3.881 4.120 -0.004 0.000 0.253 455 V C 1.939 178.017 176.094 -0.027 0.000 1.069 455 V CA 1.662 63.937 62.300 -0.040 0.000 1.082 455 V CB -0.504 31.301 31.823 -0.029 0.000 0.680 455 V HN 0.499 nan 8.190 nan 0.000 0.469 456 E N -0.652 119.535 120.200 -0.022 0.000 2.481 456 E HA 0.113 4.461 4.350 -0.004 0.000 0.198 456 E C 0.987 177.581 176.600 -0.011 0.000 1.027 456 E CA -0.057 56.336 56.400 -0.012 0.000 0.900 456 E CB 0.446 30.142 29.700 -0.005 0.000 0.993 456 E HN 0.420 nan 8.360 nan 0.000 0.482 457 S N 1.132 116.822 115.700 -0.017 0.000 2.546 457 S HA -0.012 4.456 4.470 -0.004 0.000 0.290 457 S C 0.693 175.285 174.600 -0.013 0.000 1.290 457 S CA 0.015 58.207 58.200 -0.014 0.000 1.069 457 S CB 0.546 63.733 63.200 -0.022 0.000 0.846 457 S HN 0.012 nan 8.310 nan 0.000 0.495 458 K N 3.499 123.893 120.400 -0.009 0.000 2.387 458 K HA 0.257 4.575 4.320 -0.004 0.000 0.198 458 K C 1.155 177.750 176.600 -0.009 0.000 1.022 458 K CA 0.224 56.507 56.287 -0.007 0.000 1.128 458 K CB 0.013 32.511 32.500 -0.004 0.000 0.853 458 K HN 0.698 nan 8.250 nan 0.000 0.523 459 G N 0.573 109.366 108.800 -0.012 0.000 2.568 459 G HA2 -0.061 3.896 3.960 -0.004 0.000 0.231 459 G HA3 -0.061 3.896 3.960 -0.004 0.000 0.231 459 G C 0.712 175.605 174.900 -0.012 0.000 1.261 459 G CA 0.273 45.364 45.100 -0.014 0.000 0.855 459 G HN 0.322 nan 8.290 nan 0.000 0.576 460 T N -1.735 112.813 114.554 -0.010 0.000 3.054 460 T HA 0.235 4.583 4.350 -0.004 0.000 0.255 460 T C 0.484 175.181 174.700 -0.004 0.000 1.035 460 T CA -0.248 61.849 62.100 -0.005 0.000 0.941 460 T CB 0.394 69.261 68.868 -0.001 0.000 1.026 460 T HN 0.403 nan 8.240 nan 0.000 0.533 461 E N 2.530 122.723 120.200 -0.011 0.000 2.390 461 E HA 0.208 4.556 4.350 -0.004 0.000 0.261 461 E C -0.707 175.885 176.600 -0.013 0.000 1.076 461 E CA -0.113 56.280 56.400 -0.012 0.000 0.905 461 E CB 0.738 30.425 29.700 -0.023 0.000 0.984 461 E HN 0.337 nan 8.360 nan 0.000 0.427 462 D N 1.998 122.397 120.400 -0.002 0.000 2.303 462 D HA 0.048 4.685 4.640 -0.004 0.000 0.236 462 D C 0.807 177.088 176.300 -0.032 0.000 1.068 462 D CA -0.465 53.541 54.000 0.010 0.000 0.830 462 D CB 1.809 42.645 40.800 0.060 0.000 1.109 462 D HN 0.129 nan 8.370 nan 0.000 0.496 463 V N 5.098 124.936 119.914 -0.127 0.000 2.332 463 V HA -0.249 3.869 4.120 -0.004 0.000 0.248 463 V C 1.657 177.579 176.094 -0.287 0.000 1.055 463 V CA 1.737 63.876 62.300 -0.268 0.000 1.038 463 V CB -0.523 31.028 31.823 -0.454 0.000 0.651 463 V HN 0.526 nan 8.190 nan 0.000 0.450 464 F N 0.689 120.621 119.950 -0.030 0.000 2.146 464 F HA -0.059 4.466 4.527 -0.004 0.000 0.298 464 F C 2.385 178.177 175.800 -0.013 0.000 1.096 464 F CA 1.862 59.846 58.000 -0.025 0.000 1.275 464 F CB -0.601 38.384 39.000 -0.025 0.000 1.008 464 F HN 0.127 nan 8.300 nan 0.000 0.480 465 K N -0.042 120.455 120.400 0.162 0.000 2.097 465 K HA -0.111 4.207 4.320 -0.004 0.000 0.205 465 K C 2.011 178.645 176.600 0.056 0.000 1.050 465 K CA 1.106 57.451 56.287 0.097 0.000 0.938 465 K CB -0.201 32.344 32.500 0.074 0.000 0.718 465 K HN 0.181 nan 8.250 nan 0.000 0.442 466 I N 1.672 122.257 120.570 0.025 0.000 2.252 466 I HA -0.234 3.934 4.170 -0.004 0.000 0.245 466 I C 2.409 178.530 176.117 0.008 0.000 1.102 466 I CA 1.421 62.725 61.300 0.006 0.000 1.385 466 I CB -0.688 37.298 38.000 -0.023 0.000 1.064 466 I HN 0.196 nan 8.210 nan 0.000 0.414 467 K N 1.432 121.829 120.400 -0.005 0.000 2.026 467 K HA -0.170 4.148 4.320 -0.004 0.000 0.208 467 K C 1.801 178.421 176.600 0.033 0.000 1.048 467 K CA 1.831 58.118 56.287 -0.000 0.000 0.929 467 K CB -0.075 32.414 32.500 -0.019 0.000 0.713 467 K HN 0.362 nan 8.250 nan 0.000 0.439 468 N N -0.126 118.612 118.700 0.064 0.000 2.166 468 N HA -0.179 4.558 4.740 -0.004 0.000 0.186 468 N C 1.826 177.367 175.510 0.052 0.000 1.019 468 N CA 0.709 53.798 53.050 0.065 0.000 0.856 468 N CB -0.055 38.480 38.487 0.081 0.000 0.993 468 N HN 0.050 nan 8.380 nan 0.000 0.426 469 R N 1.650 122.178 120.500 0.046 0.000 2.092 469 R HA 0.010 4.347 4.340 -0.004 0.000 0.231 469 R C 2.044 178.364 176.300 0.032 0.000 1.119 469 R CA 1.114 57.239 56.100 0.042 0.000 0.970 469 R CB -0.458 29.865 30.300 0.039 0.000 0.864 469 R HN 0.290 nan 8.270 nan 0.000 0.440 470 M N 0.683 120.296 119.600 0.021 0.000 2.086 470 M HA -0.193 4.285 4.480 -0.004 0.000 0.261 470 M C 1.364 177.654 176.300 -0.017 0.000 1.067 470 M CA 2.057 57.358 55.300 0.002 0.000 1.116 470 M CB -0.160 32.435 32.600 -0.007 0.000 1.348 470 M HN 0.122 nan 8.290 nan 0.000 0.407 471 K N -0.665 119.734 120.400 -0.002 0.000 2.211 471 K HA -0.121 4.197 4.320 -0.004 0.000 0.203 471 K C 1.235 177.858 176.600 0.038 0.000 1.050 471 K CA 1.371 57.658 56.287 0.001 0.000 0.945 471 K CB -0.400 32.122 32.500 0.037 0.000 0.732 471 K HN 0.383 nan 8.250 nan 0.000 0.451 472 D N 1.371 121.802 120.400 0.051 0.000 2.103 472 D HA -0.077 4.560 4.640 -0.004 0.000 0.199 472 D C 2.171 178.514 176.300 0.072 0.000 0.978 472 D CA 0.857 54.903 54.000 0.076 0.000 0.829 472 D CB -0.203 40.641 40.800 0.074 0.000 0.981 472 D HN -0.045 nan 8.370 nan 0.000 0.464 473 V N 1.556 121.498 119.914 0.047 0.000 2.282 473 V HA -0.284 3.834 4.120 -0.004 0.000 0.249 473 V C 2.546 178.662 176.094 0.037 0.000 1.057 473 V CA 1.342 63.670 62.300 0.046 0.000 1.032 473 V CB -0.393 31.448 31.823 0.029 0.000 0.645 473 V HN 0.219 nan 8.190 nan 0.000 0.447 474 M N -0.616 118.963 119.600 -0.035 0.000 2.117 474 M HA -0.161 4.316 4.480 -0.004 0.000 0.262 474 M C 2.028 178.374 176.300 0.076 0.000 1.065 474 M CA 1.709 56.925 55.300 -0.140 0.000 1.114 474 M CB -1.405 30.873 32.600 -0.537 0.000 1.361 474 M HN 0.342 nan 8.290 nan 0.000 0.408 475 D N 0.714 121.222 120.400 0.180 0.000 2.097 475 D HA -0.135 4.503 4.640 -0.004 0.000 0.195 475 D C 1.539 177.978 176.300 0.233 0.000 0.989 475 D CA 1.165 55.367 54.000 0.337 0.000 0.827 475 D CB -0.135 40.832 40.800 0.278 0.000 0.966 475 D HN 0.292 nan 8.370 nan 0.000 0.456 476 D N -0.354 120.143 120.400 0.162 0.000 2.224 476 D HA -0.026 4.611 4.640 -0.004 0.000 0.205 476 D C 1.370 177.746 176.300 0.126 0.000 0.965 476 D CA 0.656 54.735 54.000 0.131 0.000 0.852 476 D CB -0.024 40.848 40.800 0.120 0.000 0.947 476 D HN 0.256 nan 8.370 nan 0.000 0.494 477 N N -0.395 118.390 118.700 0.142 0.000 2.332 477 N HA 0.026 4.764 4.740 -0.004 0.000 0.190 477 N C 0.579 176.187 175.510 0.162 0.000 1.117 477 N CA 0.233 53.372 53.050 0.148 0.000 0.883 477 N CB 1.876 40.458 38.487 0.158 0.000 1.089 477 N HN -0.001 nan 8.380 nan 0.000 0.480 478 V N 0.604 120.641 119.914 0.205 0.000 2.887 478 V HA 0.430 4.547 4.120 -0.004 0.000 0.370 478 V C 1.080 177.438 176.094 0.440 0.000 1.322 478 V CA -0.507 61.959 62.300 0.276 0.000 1.267 478 V CB 0.324 32.282 31.823 0.226 0.000 1.344 478 V HN 0.067 nan 8.190 nan 0.000 0.573 479 G N 0.116 109.080 108.800 0.274 0.000 2.829 479 G HA2 0.416 4.374 3.960 -0.004 0.000 0.173 479 G HA3 0.416 4.374 3.960 -0.004 0.000 0.173 479 G C 0.963 175.671 174.900 -0.319 0.000 1.476 479 G CA -0.465 44.666 45.100 0.052 0.000 1.072 479 G HN 0.187 nan 8.290 nan 0.000 0.577 480 I N -0.671 119.438 120.570 -0.769 0.000 2.208 480 I HA -0.038 4.130 4.170 -0.004 0.000 0.245 480 I C 0.237 176.023 176.117 -0.551 0.000 1.097 480 I CA 0.952 61.783 61.300 -0.781 0.000 1.363 480 I CB -0.120 37.324 38.000 -0.927 0.000 1.051 480 I HN -0.047 nan 8.210 nan 0.000 0.413 481 F N 0.756 120.618 119.950 -0.147 0.000 2.444 481 F HA 0.513 5.038 4.527 -0.004 0.000 0.342 481 F C 0.142 175.909 175.800 -0.055 0.000 1.121 481 F CA -0.707 57.239 58.000 -0.090 0.000 0.997 481 F CB 1.080 40.018 39.000 -0.102 0.000 1.130 481 F HN -0.220 nan 8.300 nan 0.000 0.454 482 R N 1.554 122.168 120.500 0.190 0.000 2.686 482 R HA 0.586 4.924 4.340 -0.004 0.000 0.283 482 R C -1.708 174.661 176.300 0.114 0.000 0.978 482 R CA -1.106 55.077 56.100 0.137 0.000 0.897 482 R CB 2.462 32.872 30.300 0.184 0.000 1.192 482 R HN 0.724 nan 8.270 nan 0.000 0.457 483 D N -0.190 120.281 120.400 0.118 0.000 2.732 483 D HA 0.298 4.936 4.640 -0.004 0.000 0.229 483 D C 0.805 177.216 176.300 0.185 0.000 1.152 483 D CA -0.914 53.172 54.000 0.144 0.000 0.854 483 D CB 1.571 42.447 40.800 0.126 0.000 1.590 483 D HN 0.367 nan 8.370 nan 0.000 0.468 484 G N 1.093 110.003 108.800 0.182 0.000 2.586 484 G HA2 -0.208 3.750 3.960 -0.004 0.000 0.218 484 G HA3 -0.208 3.750 3.960 -0.004 0.000 0.218 484 G C -0.792 174.192 174.900 0.141 0.000 1.216 484 G CA 1.074 46.268 45.100 0.157 0.000 0.786 484 G HN 0.538 nan 8.290 nan 0.000 0.583 485 P HA -0.178 nan 4.420 nan 0.000 0.217 485 P C 1.240 178.556 177.300 0.026 0.000 1.162 485 P CA 1.776 64.914 63.100 0.062 0.000 0.901 485 P CB -0.209 31.518 31.700 0.045 0.000 0.793 486 H N -1.704 117.401 119.070 0.057 0.000 2.389 486 H HA 0.007 4.561 4.556 -0.004 0.000 0.299 486 H C 1.927 177.293 175.328 0.064 0.000 1.081 486 H CA 0.923 57.006 56.048 0.059 0.000 1.345 486 H CB -1.025 28.776 29.762 0.065 0.000 1.393 486 H HN 0.055 nan 8.280 nan 0.000 0.520 487 L N 0.252 121.592 121.223 0.194 0.000 2.083 487 L HA -0.161 4.177 4.340 -0.004 0.000 0.209 487 L C 2.099 179.023 176.870 0.091 0.000 1.083 487 L CA 1.337 56.259 54.840 0.136 0.000 0.752 487 L CB -0.291 41.846 42.059 0.128 0.000 0.899 487 L HN 0.393 nan 8.230 nan 0.000 0.433 488 E N 0.024 120.269 120.200 0.075 0.000 2.106 488 E HA -0.243 4.104 4.350 -0.004 0.000 0.192 488 E C 2.136 178.758 176.600 0.037 0.000 0.984 488 E CA 0.878 57.307 56.400 0.048 0.000 0.806 488 E CB 0.039 29.762 29.700 0.038 0.000 0.750 488 E HN 0.336 nan 8.360 nan 0.000 0.458 489 K N 0.750 121.169 120.400 0.031 0.000 2.057 489 K HA -0.122 4.196 4.320 -0.004 0.000 0.206 489 K C 2.124 178.749 176.600 0.041 0.000 1.050 489 K CA 1.069 57.368 56.287 0.019 0.000 0.935 489 K CB -0.048 32.444 32.500 -0.013 0.000 0.715 489 K HN 0.051 nan 8.250 nan 0.000 0.439 490 A N 0.730 123.587 122.820 0.062 0.000 1.855 490 A HA -0.110 4.208 4.320 -0.004 0.000 0.215 490 A C 2.245 179.857 177.584 0.047 0.000 1.191 490 A CA 1.621 53.694 52.037 0.061 0.000 0.613 490 A CB -0.780 18.265 19.000 0.077 0.000 0.829 490 A HN 0.153 nan 8.150 nan 0.000 0.442 491 V N 0.757 120.698 119.914 0.046 0.000 2.282 491 V HA -0.311 3.807 4.120 -0.004 0.000 0.249 491 V C 2.580 178.697 176.094 0.038 0.000 1.057 491 V CA 2.346 64.668 62.300 0.037 0.000 1.032 491 V CB -0.695 31.147 31.823 0.032 0.000 0.645 491 V HN 0.463 nan 8.190 nan 0.000 0.447 492 K N -0.175 120.247 120.400 0.037 0.000 2.032 492 K HA -0.245 4.073 4.320 -0.004 0.000 0.209 492 K C 2.175 178.802 176.600 0.045 0.000 1.048 492 K CA 1.933 58.242 56.287 0.037 0.000 0.927 492 K CB -0.297 32.221 32.500 0.029 0.000 0.712 492 K HN 0.639 nan 8.250 nan 0.000 0.441 493 E N 0.828 121.054 120.200 0.044 0.000 2.107 493 E HA -0.088 4.260 4.350 -0.004 0.000 0.191 493 E C 2.166 178.800 176.600 0.057 0.000 0.982 493 E CA 0.435 56.863 56.400 0.047 0.000 0.809 493 E CB 0.049 29.774 29.700 0.042 0.000 0.756 493 E HN 0.157 nan 8.360 nan 0.000 0.459 494 L N 0.837 122.093 121.223 0.055 0.000 2.083 494 L HA -0.184 4.154 4.340 -0.004 0.000 0.209 494 L C 2.687 179.622 176.870 0.108 0.000 1.083 494 L CA 1.614 56.491 54.840 0.063 0.000 0.752 494 L CB -0.427 41.654 42.059 0.037 0.000 0.899 494 L HN 0.291 nan 8.230 nan 0.000 0.433 495 E N 0.265 120.528 120.200 0.105 0.000 2.150 495 E HA -0.273 4.075 4.350 -0.004 0.000 0.193 495 E C 2.044 178.750 176.600 0.177 0.000 0.985 495 E CA 1.189 57.681 56.400 0.154 0.000 0.814 495 E CB 0.101 29.864 29.700 0.104 0.000 0.752 495 E HN 0.478 nan 8.360 nan 0.000 0.466 496 E N -0.225 120.043 120.200 0.113 0.000 2.076 496 E HA -0.146 4.202 4.350 -0.004 0.000 0.190 496 E C 2.044 178.694 176.600 0.083 0.000 0.979 496 E CA 0.360 56.812 56.400 0.086 0.000 0.807 496 E CB 0.091 29.825 29.700 0.057 0.000 0.761 496 E HN 0.219 nan 8.360 nan 0.000 0.454 497 L N 0.736 122.013 121.223 0.090 0.000 2.079 497 L HA -0.191 4.146 4.340 -0.004 0.000 0.210 497 L C 2.175 179.106 176.870 0.101 0.000 1.081 497 L CA 1.600 56.486 54.840 0.076 0.000 0.752 497 L CB -1.157 40.945 42.059 0.072 0.000 0.896 497 L HN 0.322 nan 8.230 nan 0.000 0.433 498 Y N 0.562 120.877 120.300 0.024 0.000 2.145 498 Y HA -0.259 4.289 4.550 -0.004 0.000 0.286 498 Y C 2.428 178.347 175.900 0.031 0.000 1.145 498 Y CA 1.850 59.966 58.100 0.028 0.000 1.148 498 Y CB -0.170 38.326 38.460 0.061 0.000 0.981 498 Y HN 0.159 nan 8.280 nan 0.000 0.507 499 K N 0.177 120.530 120.400 -0.078 0.000 2.057 499 K HA -0.144 4.174 4.320 -0.004 0.000 0.206 499 K C 1.966 178.487 176.600 -0.131 0.000 1.050 499 K CA 1.844 58.038 56.287 -0.156 0.000 0.935 499 K CB -0.129 32.365 32.500 -0.011 0.000 0.715 499 K HN 0.311 nan 8.250 nan 0.000 0.439 500 K N 0.765 121.126 120.400 -0.064 0.000 2.217 500 K HA -0.066 4.252 4.320 -0.004 0.000 0.202 500 K C 2.201 178.758 176.600 -0.072 0.000 1.051 500 K CA 1.408 57.665 56.287 -0.050 0.000 0.952 500 K CB -0.100 32.389 32.500 -0.017 0.000 0.736 500 K HN 0.132 nan 8.250 nan 0.000 0.453 501 S N 1.597 117.240 115.700 -0.094 0.000 2.469 501 S HA -0.118 4.350 4.470 -0.004 0.000 0.238 501 S C 1.495 176.027 174.600 -0.112 0.000 0.998 501 S CA 0.992 59.136 58.200 -0.094 0.000 0.957 501 S CB -0.134 63.022 63.200 -0.074 0.000 0.764 501 S HN 0.240 nan 8.310 nan 0.000 0.514 502 K N 0.963 121.272 120.400 -0.151 0.000 2.404 502 K HA 0.260 4.577 4.320 -0.004 0.000 0.194 502 K C 0.339 176.901 176.600 -0.063 0.000 1.023 502 K CA 0.024 56.243 56.287 -0.113 0.000 1.094 502 K CB 0.117 32.515 32.500 -0.171 0.000 0.841 502 K HN 0.324 nan 8.250 nan 0.000 0.523 503 N N 0.779 119.443 118.700 -0.059 0.000 2.351 503 N HA 0.074 4.811 4.740 -0.004 0.000 0.254 503 N C -0.713 174.775 175.510 -0.037 0.000 1.241 503 N CA 0.002 53.029 53.050 -0.039 0.000 0.883 503 N CB 1.173 39.640 38.487 -0.033 0.000 1.202 503 N HN -0.131 nan 8.380 nan 0.000 0.512 504 V N 0.409 120.294 119.914 -0.048 0.000 2.775 504 V HA 0.525 4.643 4.120 -0.004 0.000 0.299 504 V C 0.911 176.977 176.094 -0.047 0.000 1.062 504 V CA -0.264 62.003 62.300 -0.055 0.000 1.063 504 V CB 1.451 33.225 31.823 -0.083 0.000 0.994 504 V HN 0.253 nan 8.190 nan 0.000 0.483 505 G N 3.554 112.329 108.800 -0.042 0.000 2.591 505 G HA2 0.718 4.676 3.960 -0.004 0.000 0.306 505 G HA3 0.718 4.676 3.960 -0.004 0.000 0.306 505 G C -1.363 173.516 174.900 -0.035 0.000 1.334 505 G CA -0.610 44.469 45.100 -0.033 0.000 0.981 505 G HN 0.743 nan 8.290 nan 0.000 0.491 506 I N -1.324 119.225 120.570 -0.036 0.000 2.569 506 I HA 0.569 4.737 4.170 -0.004 0.000 0.296 506 I C 0.826 176.935 176.117 -0.014 0.000 1.028 506 I CA -1.292 59.990 61.300 -0.029 0.000 1.082 506 I CB 2.096 40.065 38.000 -0.052 0.000 1.264 506 I HN 0.492 nan 8.210 nan 0.000 0.429 507 K N 2.180 122.580 120.400 0.001 0.000 1.985 507 K HA 0.023 4.341 4.320 -0.004 0.000 0.210 507 K C 0.217 176.814 176.600 -0.006 0.000 1.047 507 K CA 1.293 57.582 56.287 0.003 0.000 0.932 507 K CB -0.269 32.239 32.500 0.013 0.000 0.716 507 K HN 0.637 nan 8.250 nan 0.000 0.439 508 N N 2.055 120.749 118.700 -0.009 0.000 2.452 508 N HA -0.021 4.717 4.740 -0.004 0.000 0.266 508 N C 0.479 175.970 175.510 -0.031 0.000 1.175 508 N CA 0.281 53.317 53.050 -0.023 0.000 0.945 508 N CB 1.466 39.934 38.487 -0.031 0.000 1.063 508 N HN -0.001 nan 8.380 nan 0.000 0.472 509 K N 1.725 122.109 120.400 -0.027 0.000 2.356 509 K HA 0.024 4.341 4.320 -0.004 0.000 0.195 509 K C 0.514 177.099 176.600 -0.024 0.000 1.037 509 K CA 0.181 56.455 56.287 -0.022 0.000 1.014 509 K CB 0.205 32.700 32.500 -0.009 0.000 0.815 509 K HN 0.593 nan 8.250 nan 0.000 0.507 510 R N -0.054 120.418 120.500 -0.048 0.000 2.861 510 R HA 0.018 4.355 4.340 -0.004 0.000 0.268 510 R C 0.451 176.719 176.300 -0.055 0.000 1.027 510 R CA 0.275 56.340 56.100 -0.059 0.000 1.163 510 R CB 0.143 30.307 30.300 -0.227 0.000 1.060 510 R HN 0.013 nan 8.270 nan 0.000 0.483 511 L N 0.188 121.427 121.223 0.027 0.000 2.590 511 L HA 0.130 4.468 4.340 -0.004 0.000 0.227 511 L C 0.682 177.598 176.870 0.076 0.000 1.099 511 L CA -0.355 54.514 54.840 0.048 0.000 0.872 511 L CB -0.241 41.863 42.059 0.075 0.000 1.088 511 L HN 0.722 nan 8.230 nan 0.000 0.479 512 H N -0.641 118.441 119.070 0.020 0.000 2.525 512 H HA 0.457 5.011 4.556 -0.004 0.000 0.340 512 H C 0.509 175.851 175.328 0.024 0.000 1.168 512 H CA -0.500 55.562 56.048 0.023 0.000 1.247 512 H CB 1.169 30.942 29.762 0.018 0.000 1.568 512 H HN -0.040 nan 8.280 nan 0.000 0.536 513 A N 2.370 125.223 122.820 0.055 0.000 2.151 513 A HA -0.292 4.026 4.320 -0.004 0.000 0.271 513 A C 0.048 177.579 177.584 -0.088 0.000 1.348 513 A CA 1.152 53.189 52.037 0.000 0.000 0.763 513 A CB -2.243 16.793 19.000 0.059 0.000 1.117 513 A HN 0.746 nan 8.150 nan 0.000 0.342 514 N N 0.941 119.602 118.700 -0.065 0.000 2.696 514 N HA 0.336 5.074 4.740 -0.004 0.000 0.246 514 N C -1.295 174.193 175.510 -0.037 0.000 1.057 514 N CA -1.888 51.120 53.050 -0.071 0.000 0.867 514 N CB 1.248 39.687 38.487 -0.080 0.000 1.141 514 N HN 0.210 nan 8.380 nan 0.000 0.517 515 P HA -0.142 nan 4.420 nan 0.000 0.220 515 P C 0.924 178.211 177.300 -0.022 0.000 1.148 515 P CA 0.995 64.090 63.100 -0.009 0.000 0.803 515 P CB 0.746 32.463 31.700 0.027 0.000 0.782 516 E N -0.301 119.894 120.200 -0.008 0.000 2.072 516 E HA -0.151 4.197 4.350 -0.004 0.000 0.191 516 E C 1.995 178.509 176.600 -0.144 0.000 0.985 516 E CA 0.497 56.875 56.400 -0.037 0.000 0.801 516 E CB -0.421 29.289 29.700 0.015 0.000 0.750 516 E HN 0.009 nan 8.360 nan 0.000 0.452 517 L N 1.471 122.629 121.223 -0.108 0.000 2.141 517 L HA -0.113 4.224 4.340 -0.004 0.000 0.209 517 L C 1.732 178.454 176.870 -0.247 0.000 1.094 517 L CA 1.737 56.511 54.840 -0.108 0.000 0.763 517 L CB -0.266 41.782 42.059 -0.017 0.000 0.908 517 L HN 0.114 nan 8.230 nan 0.000 0.437 518 E N -0.537 119.482 120.200 -0.301 0.000 2.051 518 E HA -0.204 4.143 4.350 -0.004 0.000 0.192 518 E C 1.990 178.104 176.600 -0.810 0.000 0.991 518 E CA 1.371 57.377 56.400 -0.656 0.000 0.799 518 E CB -0.082 29.450 29.700 -0.280 0.000 0.748 518 E HN 0.515 nan 8.360 nan 0.000 0.449 519 E N 0.456 120.373 120.200 -0.473 0.000 2.110 519 E HA -0.180 4.168 4.350 -0.004 0.000 0.193 519 E C 2.071 178.411 176.600 -0.433 0.000 0.988 519 E CA 0.906 57.037 56.400 -0.448 0.000 0.804 519 E CB -0.251 29.124 29.700 -0.542 0.000 0.745 519 E HN 0.244 nan 8.360 nan 0.000 0.458 520 A N 1.392 123.975 122.820 -0.395 0.000 1.892 520 A HA -0.222 4.095 4.320 -0.004 0.000 0.218 520 A C 2.073 179.555 177.584 -0.170 0.000 1.188 520 A CA 1.984 53.865 52.037 -0.260 0.000 0.631 520 A CB -0.924 17.960 19.000 -0.194 0.000 0.822 520 A HN 0.471 nan 8.150 nan 0.000 0.447 521 Y N -2.232 117.992 120.300 -0.126 0.000 2.510 521 Y HA 0.353 4.901 4.550 -0.004 0.000 0.273 521 Y C 2.075 177.989 175.900 0.023 0.000 1.119 521 Y CA 0.257 58.340 58.100 -0.029 0.000 1.286 521 Y CB -0.257 38.172 38.460 -0.053 0.000 1.061 521 Y HN 0.097 nan 8.280 nan 0.000 0.542 522 R N 0.653 121.007 120.500 -0.242 0.000 2.062 522 R HA -0.024 4.314 4.340 -0.004 0.000 0.226 522 R C 2.161 178.422 176.300 -0.066 0.000 1.125 522 R CA 1.335 57.367 56.100 -0.112 0.000 0.966 522 R CB -0.522 29.637 30.300 -0.235 0.000 0.861 522 R HN 0.259 nan 8.270 nan 0.000 0.433 523 V N 1.706 121.552 119.914 -0.113 0.000 2.324 523 V HA -0.186 3.932 4.120 -0.004 0.000 0.250 523 V C -0.967 175.126 176.094 -0.002 0.000 1.060 523 V CA 1.926 64.181 62.300 -0.074 0.000 1.042 523 V CB -1.167 30.586 31.823 -0.116 0.000 0.650 523 V HN 0.233 nan 8.190 nan 0.000 0.450 524 P HA -0.145 nan 4.420 nan 0.000 0.216 524 P C 1.943 179.301 177.300 0.097 0.000 1.150 524 P CA 1.581 64.762 63.100 0.136 0.000 0.837 524 P CB -0.084 31.703 31.700 0.144 0.000 0.786 525 M N -2.220 117.399 119.600 0.031 0.000 2.132 525 M HA -0.104 4.373 4.480 -0.004 0.000 0.263 525 M C 2.162 178.405 176.300 -0.094 0.000 1.065 525 M CA 1.839 57.107 55.300 -0.053 0.000 1.122 525 M CB -0.671 31.921 32.600 -0.012 0.000 1.365 525 M HN -0.072 nan 8.290 nan 0.000 0.411 526 M N -0.032 119.534 119.600 -0.055 0.000 2.149 526 M HA -0.221 4.257 4.480 -0.004 0.000 0.261 526 M C 2.061 178.313 176.300 -0.080 0.000 1.064 526 M CA 1.525 56.786 55.300 -0.065 0.000 1.102 526 M CB -0.501 32.072 32.600 -0.044 0.000 1.369 526 M HN 0.297 nan 8.290 nan 0.000 0.408 527 L N -0.008 121.186 121.223 -0.047 0.000 2.093 527 L HA -0.204 4.134 4.340 -0.004 0.000 0.208 527 L C 2.392 179.170 176.870 -0.153 0.000 1.085 527 L CA 1.300 56.118 54.840 -0.037 0.000 0.755 527 L CB -0.458 41.671 42.059 0.116 0.000 0.904 527 L HN 0.273 nan 8.230 nan 0.000 0.435 528 K N -0.665 119.554 120.400 -0.301 0.000 2.148 528 K HA -0.102 4.215 4.320 -0.004 0.000 0.204 528 K C 1.996 178.443 176.600 -0.256 0.000 1.050 528 K CA 0.960 56.952 56.287 -0.492 0.000 0.942 528 K CB -0.214 31.735 32.500 -0.919 0.000 0.724 528 K HN 0.121 nan 8.250 nan 0.000 0.446 529 V N 1.634 121.407 119.914 -0.235 0.000 2.323 529 V HA -0.209 3.908 4.120 -0.004 0.000 0.244 529 V C 2.423 178.381 176.094 -0.227 0.000 1.041 529 V CA 1.971 64.121 62.300 -0.249 0.000 1.025 529 V CB -0.560 31.104 31.823 -0.265 0.000 0.656 529 V HN 0.350 nan 8.190 nan 0.000 0.451 530 A N -0.321 122.400 122.820 -0.164 0.000 1.933 530 A HA -0.175 4.143 4.320 -0.004 0.000 0.218 530 A C 2.211 179.744 177.584 -0.086 0.000 1.175 530 A CA 1.754 53.712 52.037 -0.131 0.000 0.628 530 A CB -0.563 18.373 19.000 -0.108 0.000 0.814 530 A HN 0.499 nan 8.150 nan 0.000 0.444 531 L N -0.822 120.370 121.223 -0.052 0.000 2.079 531 L HA -0.269 4.069 4.340 -0.004 0.000 0.210 531 L C 2.691 179.561 176.870 -0.001 0.000 1.081 531 L CA 1.349 56.190 54.840 0.002 0.000 0.752 531 L CB -0.618 41.485 42.059 0.073 0.000 0.896 531 L HN 0.509 nan 8.230 nan 0.000 0.433 532 C N -1.303 117.986 119.300 -0.018 0.000 2.425 532 C HA -0.107 4.351 4.460 -0.004 0.000 0.277 532 C C 2.767 177.718 174.990 -0.065 0.000 1.280 532 C CA 0.369 59.363 59.018 -0.040 0.000 1.744 532 C CB -0.521 27.173 27.740 -0.078 0.000 1.989 532 C HN 0.350 nan 8.230 nan 0.000 0.491 533 V N 1.396 121.256 119.914 -0.090 0.000 2.270 533 V HA -0.154 3.964 4.120 -0.004 0.000 0.245 533 V C 2.717 178.812 176.094 0.001 0.000 1.043 533 V CA 2.199 64.474 62.300 -0.041 0.000 1.014 533 V CB -1.384 30.434 31.823 -0.008 0.000 0.645 533 V HN 0.570 nan 8.190 nan 0.000 0.447 534 A N 1.000 123.820 122.820 -0.001 0.000 1.845 534 A HA -0.273 4.045 4.320 -0.004 0.000 0.215 534 A C 2.240 179.841 177.584 0.028 0.000 1.195 534 A CA 2.483 54.535 52.037 0.026 0.000 0.616 534 A CB -0.599 18.411 19.000 0.018 0.000 0.832 534 A HN 0.545 nan 8.150 nan 0.000 0.443 535 K N 0.128 120.536 120.400 0.013 0.000 2.147 535 K HA -0.025 4.293 4.320 -0.004 0.000 0.205 535 K C 1.744 178.358 176.600 0.023 0.000 1.049 535 K CA 2.037 58.333 56.287 0.016 0.000 0.936 535 K CB -0.964 31.534 32.500 -0.004 0.000 0.722 535 K HN 0.285 nan 8.250 nan 0.000 0.446 536 G N -0.332 108.473 108.800 0.007 0.000 2.448 536 G HA2 -0.110 3.848 3.960 -0.004 0.000 0.218 536 G HA3 -0.110 3.848 3.960 -0.004 0.000 0.218 536 G C 1.585 176.472 174.900 -0.022 0.000 1.135 536 G CA 0.583 45.692 45.100 0.015 0.000 0.784 536 G HN 0.452 nan 8.290 nan 0.000 0.543 537 A N 0.167 122.965 122.820 -0.037 0.000 2.014 537 A HA 0.231 4.549 4.320 -0.004 0.000 0.218 537 A C 2.226 179.854 177.584 0.072 0.000 1.163 537 A CA 1.260 53.262 52.037 -0.059 0.000 0.652 537 A CB -0.212 18.814 19.000 0.043 0.000 0.808 537 A HN 0.381 nan 8.150 nan 0.000 0.449 538 L N -0.171 121.085 121.223 0.054 0.000 2.095 538 L HA -0.012 4.326 4.340 -0.004 0.000 0.204 538 L C 1.306 178.181 176.870 0.009 0.000 1.080 538 L CA 2.271 57.143 54.840 0.052 0.000 0.759 538 L CB -0.496 41.596 42.059 0.055 0.000 0.914 538 L HN 0.260 nan 8.230 nan 0.000 0.439 539 D N -0.500 119.919 120.400 0.031 0.000 2.269 539 D HA -0.076 4.562 4.640 -0.004 0.000 0.208 539 D C 0.998 177.223 176.300 -0.125 0.000 0.963 539 D CA 0.648 54.685 54.000 0.062 0.000 0.864 539 D CB -0.156 40.776 40.800 0.219 0.000 0.936 539 D HN 0.158 nan 8.370 nan 0.000 0.505 540 R N 1.337 121.670 120.500 -0.279 0.000 2.419 540 R HA 0.112 4.449 4.340 -0.004 0.000 0.305 540 R C -0.439 175.389 176.300 -0.787 0.000 1.242 540 R CA -0.070 55.523 56.100 -0.845 0.000 1.105 540 R CB -0.220 29.854 30.300 -0.377 0.000 1.116 540 R HN -0.059 nan 8.270 nan 0.000 0.523 541 T N 1.792 115.679 114.554 -1.112 0.000 3.688 541 T HA 0.196 4.544 4.350 -0.004 0.000 0.307 541 T C -0.189 174.000 174.700 -0.851 0.000 1.382 541 T CA -0.494 60.955 62.100 -1.084 0.000 1.136 541 T CB -0.328 67.835 68.868 -1.174 0.000 1.207 541 T HN 0.776 nan 8.240 nan 0.000 0.854 542 E N -0.150 119.696 120.200 -0.590 0.000 2.427 542 E HA 0.495 4.843 4.350 -0.004 0.000 0.279 542 E C -1.720 174.703 176.600 -0.296 0.000 1.120 542 E CA -1.182 55.040 56.400 -0.296 0.000 0.869 542 E CB 0.495 29.983 29.700 -0.352 0.000 1.393 542 E HN 0.059 nan 8.360 nan 0.000 0.443 543 S N 0.164 115.764 115.700 -0.166 0.000 2.707 543 S HA 0.539 5.007 4.470 -0.004 0.000 0.312 543 S C -1.059 173.479 174.600 -0.103 0.000 1.116 543 S CA -0.657 57.441 58.200 -0.171 0.000 1.078 543 S CB 0.840 64.000 63.200 -0.067 0.000 0.997 543 S HN 0.451 nan 8.310 nan 0.000 0.477 544 R N 2.128 122.558 120.500 -0.116 0.000 2.574 544 R HA 0.604 4.942 4.340 -0.004 0.000 0.288 544 R C 0.880 177.222 176.300 0.071 0.000 1.004 544 R CA 0.278 56.304 56.100 -0.123 0.000 0.895 544 R CB 1.009 31.034 30.300 -0.458 0.000 1.191 544 R HN 0.801 nan 8.270 nan 0.000 0.444 545 G N 2.405 111.296 108.800 0.152 0.000 2.685 545 G HA2 -0.473 3.485 3.960 -0.004 0.000 0.329 545 G HA3 -0.473 3.485 3.960 -0.004 0.000 0.329 545 G C 0.769 175.835 174.900 0.277 0.000 1.271 545 G CA 0.748 46.021 45.100 0.289 0.000 1.003 545 G HN 0.871 nan 8.290 nan 0.000 0.549 546 A N -0.543 122.471 122.820 0.324 0.000 2.167 546 A HA 0.206 4.523 4.320 -0.004 0.000 0.214 546 A C 1.235 179.001 177.584 0.302 0.000 1.151 546 A CA 1.520 53.715 52.037 0.262 0.000 0.735 546 A CB -0.371 18.779 19.000 0.250 0.000 0.802 546 A HN 0.899 nan 8.150 nan 0.000 0.467 547 H N 1.697 120.920 119.070 0.255 0.000 2.846 547 H HA 0.179 4.733 4.556 -0.004 0.000 0.278 547 H C -1.005 174.383 175.328 0.100 0.000 1.117 547 H CA -0.527 55.638 56.048 0.196 0.000 1.406 547 H CB 0.016 29.931 29.762 0.255 0.000 1.445 547 H HN 0.295 nan 8.280 nan 0.000 0.469 548 N N 5.552 124.241 118.700 -0.017 0.000 2.476 548 N HA 0.155 4.893 4.740 -0.004 0.000 0.257 548 N C -0.614 174.842 175.510 -0.089 0.000 0.970 548 N CA -0.662 52.351 53.050 -0.061 0.000 0.938 548 N CB 1.422 39.939 38.487 0.050 0.000 1.144 548 N HN 0.476 nan 8.380 nan 0.000 0.500 549 R N 1.873 122.259 120.500 -0.190 0.000 2.215 549 R HA 0.162 4.500 4.340 -0.004 0.000 0.337 549 R C 1.058 177.384 176.300 0.043 0.000 1.010 549 R CA -0.263 55.794 56.100 -0.071 0.000 0.871 549 R CB 0.743 30.971 30.300 -0.118 0.000 1.134 549 R HN 0.622 nan 8.270 nan 0.000 0.477 550 E N 1.070 121.306 120.200 0.059 0.000 2.118 550 E HA -0.223 4.125 4.350 -0.004 0.000 0.195 550 E C 0.524 177.114 176.600 -0.017 0.000 0.992 550 E CA 1.781 58.181 56.400 -0.001 0.000 0.804 550 E CB 0.289 29.951 29.700 -0.063 0.000 0.741 550 E HN 0.562 nan 8.360 nan 0.000 0.458 551 D N -0.856 119.562 120.400 0.029 0.000 2.363 551 D HA -0.142 4.495 4.640 -0.004 0.000 0.226 551 D C -0.062 176.043 176.300 -0.324 0.000 1.020 551 D CA 0.593 54.542 54.000 -0.084 0.000 0.892 551 D CB -0.199 40.610 40.800 0.015 0.000 0.900 551 D HN 0.253 nan 8.370 nan 0.000 0.531 552 Y N -0.407 119.862 120.300 -0.051 0.000 2.569 552 Y HA 0.244 4.791 4.550 -0.004 0.000 0.310 552 Y C -1.804 174.054 175.900 -0.070 0.000 1.021 552 Y CA -1.902 56.162 58.100 -0.059 0.000 1.152 552 Y CB 1.401 39.807 38.460 -0.089 0.000 1.140 552 Y HN -0.139 nan 8.280 nan 0.000 0.621 553 P HA -0.192 nan 4.420 nan 0.000 0.218 553 P C -0.134 177.187 177.300 0.036 0.000 1.146 553 P CA 1.318 64.432 63.100 0.023 0.000 0.813 553 P CB 0.581 32.281 31.700 -0.000 0.000 0.778 554 K N 0.550 120.978 120.400 0.047 0.000 2.174 554 K HA 0.259 4.577 4.320 -0.004 0.000 0.275 554 K C 0.622 177.269 176.600 0.078 0.000 1.015 554 K CA -0.747 55.579 56.287 0.065 0.000 0.933 554 K CB 1.163 33.697 32.500 0.056 0.000 1.025 554 K HN -0.101 nan 8.250 nan 0.000 0.463 555 R N 2.438 123.000 120.500 0.102 0.000 2.296 555 R HA -0.029 4.309 4.340 -0.004 0.000 0.323 555 R C -0.671 175.711 176.300 0.137 0.000 1.067 555 R CA -0.155 55.997 56.100 0.086 0.000 0.946 555 R CB 0.385 30.738 30.300 0.089 0.000 0.991 555 R HN 0.544 nan 8.270 nan 0.000 0.448 556 D N 3.789 124.276 120.400 0.145 0.000 2.441 556 D HA 0.036 4.674 4.640 -0.004 0.000 0.221 556 D C -0.369 176.043 176.300 0.186 0.000 1.156 556 D CA -0.223 53.901 54.000 0.208 0.000 0.896 556 D CB 0.998 42.016 40.800 0.363 0.000 1.028 556 D HN 0.511 nan 8.370 nan 0.000 0.509 557 D N 2.742 123.219 120.400 0.130 0.000 2.363 557 D HA 0.038 4.676 4.640 -0.004 0.000 0.220 557 D C 1.756 178.081 176.300 0.043 0.000 0.994 557 D CA 0.308 54.353 54.000 0.074 0.000 0.890 557 D CB 0.559 41.383 40.800 0.040 0.000 0.906 557 D HN 0.543 nan 8.370 nan 0.000 0.530 558 I N 0.127 120.722 120.570 0.042 0.000 2.385 558 I HA -0.077 4.091 4.170 -0.004 0.000 0.244 558 I C 1.594 177.661 176.117 -0.083 0.000 1.089 558 I CA 0.530 61.824 61.300 -0.011 0.000 1.410 558 I CB 0.108 38.106 38.000 -0.003 0.000 1.117 558 I HN -0.092 nan 8.210 nan 0.000 0.429 559 N N -0.911 117.714 118.700 -0.126 0.000 2.325 559 N HA 0.002 4.739 4.740 -0.004 0.000 0.182 559 N C 0.474 175.524 175.510 -0.767 0.000 1.088 559 N CA 0.583 53.372 53.050 -0.435 0.000 0.879 559 N CB 0.475 38.671 38.487 -0.485 0.000 0.983 559 N HN 0.373 nan 8.380 nan 0.000 0.471 560 W N 0.464 121.730 121.300 -0.056 0.000 2.467 560 W HA 0.364 5.021 4.660 -0.004 0.000 0.369 560 W C 0.182 176.691 176.519 -0.016 0.000 0.938 560 W CA -0.517 56.793 57.345 -0.058 0.000 1.845 560 W CB 0.103 29.518 29.460 -0.074 0.000 1.167 560 W HN -0.157 nan 8.180 nan 0.000 0.558 561 L N 3.793 125.088 121.223 0.119 0.000 2.533 561 L HA 0.233 4.571 4.340 -0.004 0.000 0.239 561 L C 0.434 177.386 176.870 0.137 0.000 1.376 561 L CA 0.595 55.507 54.840 0.120 0.000 1.240 561 L CB -1.566 40.533 42.059 0.066 0.000 1.487 561 L HN 0.173 nan 8.230 nan 0.000 0.419 562 N N 0.455 119.285 118.700 0.217 0.000 3.343 562 N HA 0.520 5.258 4.740 -0.004 0.000 0.330 562 N C -1.116 174.614 175.510 0.367 0.000 1.560 562 N CA -1.193 52.008 53.050 0.252 0.000 0.752 562 N CB 1.355 39.978 38.487 0.227 0.000 1.863 562 N HN 0.136 nan 8.380 nan 0.000 0.636 563 R N 0.403 121.119 120.500 0.359 0.000 2.532 563 R HA 0.286 4.623 4.340 -0.004 0.000 0.297 563 R C -1.294 175.164 176.300 0.263 0.000 0.984 563 R CA -0.325 55.972 56.100 0.328 0.000 0.884 563 R CB 1.895 32.314 30.300 0.198 0.000 1.182 563 R HN 0.611 nan 8.270 nan 0.000 0.442 564 T N 5.454 120.151 114.554 0.238 0.000 2.834 564 T HA 0.237 4.585 4.350 -0.004 0.000 0.298 564 T C -0.051 174.573 174.700 -0.126 0.000 0.966 564 T CA 0.070 62.138 62.100 -0.053 0.000 1.141 564 T CB 0.271 69.171 68.868 0.053 0.000 0.905 564 T HN 0.325 nan 8.240 nan 0.000 0.535 565 L N 3.038 124.107 121.223 -0.256 0.000 2.342 565 L HA 0.629 4.967 4.340 -0.004 0.000 0.276 565 L C 0.242 177.015 176.870 -0.160 0.000 0.997 565 L CA -1.021 53.726 54.840 -0.155 0.000 0.838 565 L CB 1.283 43.271 42.059 -0.118 0.000 1.224 565 L HN 0.660 nan 8.230 nan 0.000 0.416 566 A N 2.816 125.572 122.820 -0.107 0.000 2.306 566 A HA 0.867 5.185 4.320 -0.004 0.000 0.314 566 A C -0.063 177.500 177.584 -0.036 0.000 1.164 566 A CA -0.317 51.674 52.037 -0.077 0.000 0.822 566 A CB 1.230 20.196 19.000 -0.056 0.000 1.130 566 A HN 0.705 nan 8.150 nan 0.000 0.496 567 S N 0.628 116.320 115.700 -0.013 0.000 2.638 567 S HA 0.725 5.193 4.470 -0.004 0.000 0.274 567 S C -1.140 173.527 174.600 0.112 0.000 1.157 567 S CA -0.498 57.723 58.200 0.035 0.000 0.826 567 S CB 1.417 64.612 63.200 -0.009 0.000 1.139 567 S HN 1.049 nan 8.310 nan 0.000 0.474 568 W N 2.673 123.926 121.300 -0.079 0.000 1.375 568 W HA 0.330 4.988 4.660 -0.003 0.000 0.310 568 W C -2.573 173.918 176.519 -0.047 0.000 0.887 568 W CA -1.757 55.546 57.345 -0.069 0.000 1.672 568 W CB 1.333 30.742 29.460 -0.084 0.000 1.824 568 W HN 0.683 nan 8.180 nan 0.000 0.448 569 P HA -0.163 nan 4.420 nan 0.000 0.218 569 P C 0.396 177.752 177.300 0.092 0.000 1.148 569 P CA 1.411 64.553 63.100 0.071 0.000 0.822 569 P CB 0.326 32.033 31.700 0.011 0.000 0.784 570 N N 0.066 118.809 118.700 0.073 0.000 2.444 570 N HA 0.135 4.872 4.740 -0.004 0.000 0.262 570 N C -1.701 173.940 175.510 0.218 0.000 0.974 570 N CA -2.295 50.807 53.050 0.088 0.000 0.933 570 N CB 1.784 40.276 38.487 0.008 0.000 1.137 570 N HN -0.103 nan 8.380 nan 0.000 0.498 571 P HA -0.092 nan 4.420 nan 0.000 0.225 571 P C 0.237 177.702 177.300 0.275 0.000 1.148 571 P CA 1.207 64.463 63.100 0.260 0.000 0.779 571 P CB 0.549 32.324 31.700 0.125 0.000 0.780 572 E N -0.018 120.292 120.200 0.184 0.000 2.371 572 E HA -0.048 4.300 4.350 -0.004 0.000 0.194 572 E C 1.204 177.899 176.600 0.157 0.000 1.012 572 E CA -0.079 56.413 56.400 0.152 0.000 0.860 572 E CB -0.094 29.655 29.700 0.081 0.000 0.811 572 E HN 0.549 nan 8.360 nan 0.000 0.502 573 Q N 0.925 120.787 119.800 0.102 0.000 2.454 573 Q HA 0.076 4.414 4.340 -0.004 0.000 0.247 573 Q C 0.466 176.499 176.000 0.055 0.000 1.028 573 Q CA 0.677 56.450 55.803 -0.050 0.000 0.910 573 Q CB 0.539 29.088 28.738 -0.314 0.000 1.276 573 Q HN -0.067 nan 8.270 nan 0.000 0.489 574 T N -0.678 113.863 114.554 -0.020 0.000 3.044 574 T HA 0.378 4.726 4.350 -0.004 0.000 0.260 574 T C 0.323 174.965 174.700 -0.096 0.000 1.019 574 T CA -0.307 61.870 62.100 0.128 0.000 0.921 574 T CB 0.157 69.140 68.868 0.191 0.000 1.053 574 T HN 0.436 nan 8.240 nan 0.000 0.533 575 L N 2.038 122.982 121.223 -0.465 0.000 2.422 575 L HA 0.547 4.885 4.340 -0.004 0.000 0.264 575 L C -2.593 173.718 176.870 -0.931 0.000 0.984 575 L CA -2.772 51.774 54.840 -0.491 0.000 0.819 575 L CB 2.853 44.769 42.059 -0.239 0.000 1.330 575 L HN -0.145 nan 8.230 nan 0.000 0.410 576 P HA 0.050 nan 4.420 nan 0.000 0.270 576 P C -0.686 176.394 177.300 -0.365 0.000 1.223 576 P CA -0.116 62.659 63.100 -0.541 0.000 0.785 576 P CB 0.703 32.356 31.700 -0.078 0.000 0.923 577 T N 2.915 117.298 114.554 -0.285 0.000 2.749 577 T HA 0.444 4.792 4.350 -0.004 0.000 0.287 577 T C 0.161 174.783 174.700 -0.131 0.000 0.970 577 T CA -0.327 61.660 62.100 -0.189 0.000 0.980 577 T CB -0.023 68.744 68.868 -0.168 0.000 0.924 577 T HN 0.183 nan 8.240 nan 0.000 0.456 578 L N 3.384 124.539 121.223 -0.112 0.000 2.331 578 L HA 0.690 5.028 4.340 -0.004 0.000 0.275 578 L C 0.389 177.149 176.870 -0.184 0.000 1.022 578 L CA -0.840 53.902 54.840 -0.164 0.000 0.812 578 L CB 1.593 43.572 42.059 -0.134 0.000 1.257 578 L HN 0.570 nan 8.230 nan 0.000 0.435 579 E N 0.729 120.718 120.200 -0.352 0.000 2.456 579 E HA 0.553 4.901 4.350 -0.004 0.000 0.276 579 E C -1.907 174.343 176.600 -0.582 0.000 0.981 579 E CA -0.812 55.437 56.400 -0.251 0.000 0.814 579 E CB 2.741 32.380 29.700 -0.103 0.000 1.382 579 E HN 0.295 nan 8.360 nan 0.000 0.459 580 Y N 0.312 120.633 120.300 0.035 0.000 2.442 580 Y HA 0.290 4.837 4.550 -0.004 0.000 0.344 580 Y C -0.474 175.447 175.900 0.035 0.000 0.976 580 Y CA -0.815 57.316 58.100 0.052 0.000 1.040 580 Y CB 2.033 40.515 38.460 0.036 0.000 1.228 580 Y HN 0.391 nan 8.280 nan 0.000 0.451 581 E N 2.181 122.483 120.200 0.170 0.000 2.113 581 E HA 0.718 5.066 4.350 -0.004 0.000 0.273 581 E C -1.077 175.607 176.600 0.139 0.000 0.924 581 E CA -0.798 55.672 56.400 0.116 0.000 0.764 581 E CB 0.907 30.657 29.700 0.084 0.000 1.104 581 E HN 0.776 nan 8.360 nan 0.000 0.406 582 A N 5.390 128.270 122.820 0.100 0.000 2.363 582 A HA 0.326 4.644 4.320 -0.004 0.000 0.270 582 A C -0.213 177.420 177.584 0.083 0.000 1.121 582 A CA -0.469 51.617 52.037 0.082 0.000 0.800 582 A CB 0.295 19.319 19.000 0.040 0.000 1.052 582 A HN 0.754 nan 8.150 nan 0.000 0.493 583 L N 2.554 123.834 121.223 0.096 0.000 2.283 583 L HA 0.176 4.514 4.340 -0.004 0.000 0.287 583 L C -0.094 176.820 176.870 0.073 0.000 1.073 583 L CA -0.524 54.374 54.840 0.097 0.000 0.822 583 L CB 0.710 42.847 42.059 0.129 0.000 1.186 583 L HN 0.736 nan 8.230 nan 0.000 0.436 584 D N 2.984 123.422 120.400 0.062 0.000 2.344 584 D HA 0.080 4.718 4.640 -0.004 0.000 0.253 584 D C 1.009 177.342 176.300 0.055 0.000 1.255 584 D CA -0.275 53.754 54.000 0.048 0.000 0.894 584 D CB 1.417 42.241 40.800 0.039 0.000 1.067 584 D HN 0.247 nan 8.370 nan 0.000 0.492 585 V N 4.284 124.226 119.914 0.047 0.000 2.380 585 V HA -0.294 3.824 4.120 -0.004 0.000 0.251 585 V C 1.980 178.104 176.094 0.049 0.000 1.063 585 V CA 1.816 64.145 62.300 0.048 0.000 1.055 585 V CB -0.812 31.023 31.823 0.019 0.000 0.657 585 V HN 0.686 nan 8.190 nan 0.000 0.455 586 N N -0.364 118.358 118.700 0.038 0.000 2.519 586 N HA -0.155 4.583 4.740 -0.004 0.000 0.186 586 N C 1.372 176.908 175.510 0.043 0.000 1.062 586 N CA 0.773 53.844 53.050 0.035 0.000 0.910 586 N CB -0.014 38.489 38.487 0.026 0.000 0.958 586 N HN 0.633 nan 8.380 nan 0.000 0.445 587 E N -0.151 120.080 120.200 0.051 0.000 2.501 587 E HA 0.151 4.499 4.350 -0.004 0.000 0.201 587 E C -0.258 176.388 176.600 0.078 0.000 1.016 587 E CA -0.101 56.332 56.400 0.054 0.000 0.920 587 E CB 0.506 30.233 29.700 0.044 0.000 1.023 587 E HN 0.308 nan 8.360 nan 0.000 0.474 588 M N 0.964 120.623 119.600 0.098 0.000 2.188 588 M HA 0.113 4.591 4.480 -0.004 0.000 0.357 588 M C 1.105 177.497 176.300 0.154 0.000 1.204 588 M CA 0.092 55.479 55.300 0.145 0.000 1.095 588 M CB 1.500 34.206 32.600 0.176 0.000 1.604 588 M HN -0.042 nan 8.290 nan 0.000 0.464 589 E N 3.213 123.535 120.200 0.202 0.000 2.285 589 E HA 0.054 4.402 4.350 -0.004 0.000 0.194 589 E C -0.292 176.450 176.600 0.238 0.000 0.997 589 E CA 0.727 57.242 56.400 0.192 0.000 0.845 589 E CB 0.482 30.290 29.700 0.181 0.000 0.782 589 E HN 0.595 nan 8.360 nan 0.000 0.491 590 I N 1.275 122.023 120.570 0.296 0.000 2.447 590 I HA 0.313 4.481 4.170 -0.004 0.000 0.287 590 I C -0.384 175.953 176.117 0.367 0.000 1.023 590 I CA -0.880 60.615 61.300 0.325 0.000 1.083 590 I CB 1.806 40.016 38.000 0.350 0.000 1.245 590 I HN -0.044 nan 8.210 nan 0.000 0.434 591 A N 7.718 130.651 122.820 0.187 0.000 2.371 591 A HA 0.569 4.887 4.320 -0.004 0.000 0.257 591 A C -2.454 174.900 177.584 -0.383 0.000 1.089 591 A CA -1.277 50.753 52.037 -0.012 0.000 0.794 591 A CB -0.279 18.696 19.000 -0.041 0.000 1.029 591 A HN 0.408 nan 8.150 nan 0.000 0.488 592 P HA 0.236 nan 4.420 nan 0.000 0.261 592 P C 0.529 177.033 177.300 -1.327 0.000 1.183 592 P CA 1.139 63.178 63.100 -1.768 0.000 0.761 592 P CB 0.747 31.907 31.700 -0.900 0.000 0.785 593 G N 2.185 109.861 108.800 -1.872 0.000 3.003 593 G HA2 0.309 4.266 3.960 -0.004 0.000 0.243 593 G HA3 0.309 4.266 3.960 -0.004 0.000 0.243 593 G C -1.664 172.824 174.900 -0.685 0.000 1.176 593 G CA -0.272 44.325 45.100 -0.838 0.000 0.812 593 G HN 0.308 nan 8.290 nan 0.000 0.584 594 Y N 1.937 122.138 120.300 -0.166 0.000 2.346 594 Y HA 0.391 4.939 4.550 -0.004 0.000 0.330 594 Y C 2.152 178.186 175.900 0.224 0.000 1.178 594 Y CA -0.439 57.687 58.100 0.043 0.000 1.331 594 Y CB 1.175 39.722 38.460 0.145 0.000 1.253 594 Y HN 0.538 nan 8.280 nan 0.000 0.529 595 R N 2.593 122.826 120.500 -0.445 0.000 2.246 595 R HA 0.277 4.614 4.340 -0.004 0.000 0.199 595 R C 1.127 177.107 176.300 -0.533 0.000 0.984 595 R CA 0.877 56.758 56.100 -0.365 0.000 1.015 595 R CB -0.017 30.044 30.300 -0.397 0.000 0.930 595 R HN 0.987 nan 8.270 nan 0.000 0.475 596 G N 0.793 108.844 108.800 -1.249 0.000 2.424 596 G HA2 -0.279 3.678 3.960 -0.004 0.000 0.207 596 G HA3 -0.279 3.678 3.960 -0.004 0.000 0.207 596 G C 0.041 174.835 174.900 -0.176 0.000 1.061 596 G CA 0.054 44.844 45.100 -0.516 0.000 0.657 596 G HN 0.508 nan 8.290 nan 0.000 0.508 597 Y N -0.037 120.110 120.300 -0.255 0.000 2.496 597 Y HA 0.662 5.210 4.550 -0.004 0.000 0.331 597 Y C 0.923 176.863 175.900 0.067 0.000 1.140 597 Y CA -0.728 57.351 58.100 -0.036 0.000 1.166 597 Y CB 1.539 39.966 38.460 -0.054 0.000 1.249 597 Y HN 1.800 nan 8.280 nan 0.000 0.479 598 G N 0.387 109.297 108.800 0.184 0.000 2.760 598 G HA2 0.185 4.143 3.960 -0.004 0.000 0.246 598 G HA3 0.185 4.143 3.960 -0.004 0.000 0.246 598 G C -0.098 174.919 174.900 0.195 0.000 1.359 598 G CA -0.470 44.714 45.100 0.140 0.000 0.861 598 G HN 1.596 nan 8.290 nan 0.000 0.541 599 A N -0.249 122.657 122.820 0.143 0.000 2.504 599 A HA 0.497 4.815 4.320 -0.004 0.000 0.242 599 A C 0.817 178.481 177.584 0.134 0.000 1.100 599 A CA 1.590 53.694 52.037 0.112 0.000 0.786 599 A CB 0.108 19.154 19.000 0.077 0.000 1.050 599 A HN 0.938 nan 8.150 nan 0.000 0.512 600 K N -0.983 119.412 120.400 -0.009 0.000 2.267 600 K HA 0.548 4.866 4.320 -0.004 0.000 0.246 600 K C 0.685 177.218 176.600 -0.113 0.000 0.954 600 K CA -0.197 55.985 56.287 -0.174 0.000 0.824 600 K CB 1.652 33.938 32.500 -0.357 0.000 1.167 600 K HN 1.523 nan 8.250 nan 0.000 0.431 601 G N 1.299 110.015 108.800 -0.141 0.000 2.233 601 G HA2 -0.344 3.614 3.960 -0.004 0.000 0.270 601 G HA3 -0.344 3.614 3.960 -0.004 0.000 0.270 601 G C 0.094 174.873 174.900 -0.202 0.000 1.011 601 G CA 0.703 45.639 45.100 -0.273 0.000 0.762 601 G HN 0.852 nan 8.290 nan 0.000 0.511 602 N N -0.143 118.563 118.700 0.010 0.000 2.597 602 N HA 0.379 5.117 4.740 -0.004 0.000 0.269 602 N C -0.296 175.314 175.510 0.168 0.000 1.204 602 N CA -0.284 52.807 53.050 0.067 0.000 0.947 602 N CB -0.022 38.531 38.487 0.110 0.000 1.258 602 N HN 0.675 nan 8.380 nan 0.000 0.508 603 Y N -2.052 118.252 120.300 0.006 0.000 2.399 603 Y HA 0.416 4.963 4.550 -0.004 0.000 0.327 603 Y C -1.123 174.773 175.900 -0.008 0.000 1.111 603 Y CA -1.367 56.735 58.100 0.003 0.000 1.047 603 Y CB 0.071 38.531 38.460 -0.000 0.000 1.259 603 Y HN -0.205 nan 8.280 nan 0.000 0.434 604 I N 3.678 124.320 120.570 0.119 0.000 2.574 604 I HA 0.011 4.178 4.170 -0.004 0.000 0.291 604 I C 0.651 176.841 176.117 0.121 0.000 1.131 604 I CA 0.416 61.750 61.300 0.057 0.000 1.352 604 I CB -0.067 37.979 38.000 0.076 0.000 1.431 604 I HN 0.724 nan 8.210 nan 0.000 0.543 605 E N 6.149 126.381 120.200 0.053 0.000 2.414 605 E HA -0.058 4.290 4.350 -0.004 0.000 0.263 605 E C 0.006 176.641 176.600 0.058 0.000 1.000 605 E CA -0.241 56.231 56.400 0.120 0.000 0.914 605 E CB 0.527 30.242 29.700 0.026 0.000 0.948 605 E HN 0.529 nan 8.360 nan 0.000 0.444 606 N N 5.293 124.020 118.700 0.046 0.000 2.426 606 N HA 0.135 4.873 4.740 -0.004 0.000 0.275 606 N C -1.800 173.709 175.510 -0.002 0.000 1.019 606 N CA -1.990 51.066 53.050 0.010 0.000 0.941 606 N CB 1.480 39.963 38.487 -0.006 0.000 1.123 606 N HN 0.372 nan 8.380 nan 0.000 0.486 607 P HA -0.137 nan 4.420 nan 0.000 0.216 607 P C 1.325 178.619 177.300 -0.010 0.000 1.150 607 P CA 0.963 64.058 63.100 -0.008 0.000 0.837 607 P CB 0.456 32.150 31.700 -0.010 0.000 0.786 608 L N -0.314 120.902 121.223 -0.011 0.000 2.362 608 L HA -0.054 4.284 4.340 -0.004 0.000 0.219 608 L C 2.648 179.509 176.870 -0.015 0.000 1.134 608 L CA 1.369 56.203 54.840 -0.010 0.000 0.807 608 L CB -1.347 40.707 42.059 -0.007 0.000 0.927 608 L HN -0.070 nan 8.230 nan 0.000 0.447 609 S N -0.836 114.847 115.700 -0.028 0.000 2.345 609 S HA -0.135 4.333 4.470 -0.004 0.000 0.220 609 S C 2.101 176.681 174.600 -0.032 0.000 1.031 609 S CA 1.354 59.523 58.200 -0.051 0.000 0.996 609 S CB -0.345 62.801 63.200 -0.090 0.000 0.882 609 S HN 0.223 nan 8.310 nan 0.000 0.445 610 V N 2.600 122.502 119.914 -0.019 0.000 2.287 610 V HA -0.217 3.901 4.120 -0.004 0.000 0.248 610 V C 2.491 178.584 176.094 -0.003 0.000 1.053 610 V CA 1.825 64.120 62.300 -0.008 0.000 1.027 610 V CB -0.658 31.162 31.823 -0.005 0.000 0.646 610 V HN 0.431 nan 8.190 nan 0.000 0.447 611 K N 0.370 120.769 120.400 -0.003 0.000 2.009 611 K HA -0.288 4.029 4.320 -0.004 0.000 0.210 611 K C 2.396 179.000 176.600 0.006 0.000 1.049 611 K CA 2.166 58.454 56.287 0.002 0.000 0.929 611 K CB -0.193 32.307 32.500 0.001 0.000 0.714 611 K HN 0.269 nan 8.250 nan 0.000 0.440 612 R N 1.357 121.861 120.500 0.006 0.000 2.081 612 R HA -0.170 4.168 4.340 -0.004 0.000 0.235 612 R C 2.280 178.592 176.300 0.020 0.000 1.131 612 R CA 2.005 58.113 56.100 0.014 0.000 0.960 612 R CB -0.803 29.505 30.300 0.014 0.000 0.856 612 R HN 0.251 nan 8.270 nan 0.000 0.436 613 Q N 0.823 120.631 119.800 0.012 0.000 2.112 613 Q HA -0.195 4.143 4.340 -0.004 0.000 0.206 613 Q C 1.612 177.627 176.000 0.025 0.000 0.987 613 Q CA 2.479 58.294 55.803 0.020 0.000 0.858 613 Q CB -0.163 28.580 28.738 0.009 0.000 0.905 613 Q HN 0.645 nan 8.270 nan 0.000 0.420 614 E N 0.054 120.265 120.200 0.018 0.000 2.017 614 E HA -0.226 4.122 4.350 -0.004 0.000 0.193 614 E C 2.012 178.624 176.600 0.021 0.000 0.997 614 E CA 1.107 57.517 56.400 0.018 0.000 0.804 614 E CB -0.301 29.407 29.700 0.013 0.000 0.757 614 E HN 0.508 nan 8.360 nan 0.000 0.448 615 E N 0.392 120.604 120.200 0.020 0.000 2.169 615 E HA -0.257 4.091 4.350 -0.004 0.000 0.202 615 E C 1.975 178.592 176.600 0.028 0.000 1.016 615 E CA 1.208 57.621 56.400 0.022 0.000 0.817 615 E CB 0.063 29.776 29.700 0.022 0.000 0.736 615 E HN 0.173 nan 8.360 nan 0.000 0.462 616 I N 1.522 122.113 120.570 0.034 0.000 2.162 616 I HA -0.236 3.931 4.170 -0.004 0.000 0.238 616 I C 1.981 178.121 176.117 0.038 0.000 1.076 616 I CA 1.291 62.617 61.300 0.043 0.000 1.353 616 I CB -1.401 36.633 38.000 0.056 0.000 1.063 616 I HN 0.150 nan 8.210 nan 0.000 0.408 617 D N 1.098 121.519 120.400 0.035 0.000 2.133 617 D HA -0.241 4.397 4.640 -0.004 0.000 0.195 617 D C 2.063 178.378 176.300 0.026 0.000 0.997 617 D CA 1.383 55.402 54.000 0.032 0.000 0.840 617 D CB -0.124 40.693 40.800 0.028 0.000 0.947 617 D HN 0.384 nan 8.370 nan 0.000 0.452 618 K N 0.888 121.302 120.400 0.023 0.000 1.965 618 K HA -0.136 4.181 4.320 -0.004 0.000 0.218 618 K C 2.398 179.009 176.600 0.019 0.000 1.048 618 K CA 1.032 57.331 56.287 0.019 0.000 0.960 618 K CB -0.325 32.185 32.500 0.017 0.000 0.732 618 K HN 0.013 nan 8.250 nan 0.000 0.444 619 I N 1.072 121.654 120.570 0.020 0.000 2.236 619 I HA -0.349 3.819 4.170 -0.004 0.000 0.249 619 I C 2.841 178.970 176.117 0.020 0.000 1.102 619 I CA 1.471 62.782 61.300 0.020 0.000 1.365 619 I CB -0.378 37.635 38.000 0.022 0.000 1.051 619 I HN 0.502 nan 8.210 nan 0.000 0.420 620 Q N 0.489 120.303 119.800 0.024 0.000 2.016 620 Q HA -0.169 4.168 4.340 -0.004 0.000 0.200 620 Q C 2.443 178.455 176.000 0.020 0.000 0.978 620 Q CA 2.090 57.907 55.803 0.024 0.000 0.833 620 Q CB 0.098 28.854 28.738 0.030 0.000 0.895 620 Q HN 0.426 nan 8.270 nan 0.000 0.427 621 S N 0.905 116.617 115.700 0.020 0.000 2.359 621 S HA -0.201 4.267 4.470 -0.004 0.000 0.224 621 S C 1.654 176.263 174.600 0.014 0.000 1.035 621 S CA 1.538 59.748 58.200 0.017 0.000 1.018 621 S CB -0.298 62.912 63.200 0.017 0.000 0.876 621 S HN 0.401 nan 8.310 nan 0.000 0.448 622 E N 0.803 121.012 120.200 0.014 0.000 2.085 622 E HA -0.129 4.219 4.350 -0.004 0.000 0.194 622 E C 2.030 178.637 176.600 0.012 0.000 0.994 622 E CA 1.081 57.488 56.400 0.012 0.000 0.801 622 E CB -0.298 29.409 29.700 0.012 0.000 0.743 622 E HN 0.438 nan 8.360 nan 0.000 0.453 623 L N 0.388 121.619 121.223 0.013 0.000 2.131 623 L HA -0.094 4.243 4.340 -0.004 0.000 0.206 623 L C 2.547 179.424 176.870 0.012 0.000 1.087 623 L CA 0.779 55.627 54.840 0.012 0.000 0.767 623 L CB -0.174 41.893 42.059 0.013 0.000 0.917 623 L HN 0.096 nan 8.230 nan 0.000 0.441 624 E N 0.528 120.735 120.200 0.012 0.000 2.153 624 E HA -0.216 4.131 4.350 -0.004 0.000 0.194 624 E C 2.132 178.739 176.600 0.010 0.000 0.988 624 E CA 1.185 57.591 56.400 0.011 0.000 0.811 624 E CB 0.103 29.811 29.700 0.013 0.000 0.746 624 E HN 0.458 nan 8.360 nan 0.000 0.466 625 A N 0.764 123.590 122.820 0.011 0.000 1.903 625 A HA 0.210 4.528 4.320 -0.004 0.000 0.213 625 A C 2.160 179.749 177.584 0.009 0.000 1.185 625 A CA 0.861 52.903 52.037 0.009 0.000 0.628 625 A CB -0.335 18.670 19.000 0.009 0.000 0.830 625 A HN 0.305 nan 8.150 nan 0.000 0.446 626 A N -0.201 122.625 122.820 0.009 0.000 2.215 626 A HA 0.414 4.732 4.320 -0.004 0.000 0.208 626 A C 1.329 178.918 177.584 0.009 0.000 1.296 626 A CA 0.754 52.797 52.037 0.009 0.000 0.918 626 A CB -1.774 17.232 19.000 0.009 0.000 0.806 626 A HN 1.930 nan 8.150 nan 0.000 0.490 627 G N -0.396 108.410 108.800 0.009 0.000 2.392 627 G HA2 -0.165 3.793 3.960 -0.004 0.000 0.256 627 G HA3 -0.165 3.793 3.960 -0.004 0.000 0.256 627 G C -0.365 174.543 174.900 0.013 0.000 0.920 627 G CA 0.642 45.749 45.100 0.010 0.000 1.316 627 G HN 0.687 nan 8.290 nan 0.000 0.416 628 K N 1.037 121.445 120.400 0.014 0.000 2.501 628 K HA 0.537 4.855 4.320 -0.004 0.000 0.252 628 K C 0.078 176.690 176.600 0.019 0.000 0.934 628 K CA -0.619 55.679 56.287 0.019 0.000 0.797 628 K CB 1.350 33.860 32.500 0.017 0.000 1.270 628 K HN 0.451 nan 8.250 nan 0.000 0.431 629 D N 1.440 121.860 120.400 0.034 0.000 2.361 629 D HA 0.028 4.666 4.640 -0.004 0.000 0.239 629 D C 0.877 177.171 176.300 -0.011 0.000 1.200 629 D CA -0.119 53.900 54.000 0.032 0.000 0.915 629 D CB 0.623 41.488 40.800 0.108 0.000 1.170 629 D HN 0.623 nan 8.370 nan 0.000 0.444 630 R N 0.004 120.445 120.500 -0.099 0.000 2.193 630 R HA -0.184 4.153 4.340 -0.004 0.000 0.229 630 R C 1.304 177.495 176.300 -0.181 0.000 1.110 630 R CA 0.947 56.952 56.100 -0.157 0.000 0.988 630 R CB -0.693 29.473 30.300 -0.224 0.000 0.871 630 R HN 0.512 nan 8.270 nan 0.000 0.458 631 H N 1.410 120.482 119.070 0.004 0.000 2.284 631 H HA 0.073 4.627 4.556 -0.004 0.000 0.304 631 H C 2.378 177.703 175.328 -0.005 0.000 1.069 631 H CA 1.740 57.789 56.048 0.001 0.000 1.327 631 H CB -0.360 29.401 29.762 -0.002 0.000 1.387 631 H HN 0.396 nan 8.280 nan 0.000 0.498 632 A N 1.279 124.172 122.820 0.121 0.000 1.940 632 A HA -0.120 4.198 4.320 -0.004 0.000 0.219 632 A C 2.671 180.275 177.584 0.033 0.000 1.176 632 A CA 1.248 53.321 52.037 0.060 0.000 0.631 632 A CB -0.842 18.185 19.000 0.046 0.000 0.814 632 A HN 0.291 nan 8.150 nan 0.000 0.446 633 I N -0.914 119.668 120.570 0.022 0.000 2.226 633 I HA -0.257 3.911 4.170 -0.004 0.000 0.245 633 I C 2.834 178.957 176.117 0.009 0.000 1.100 633 I CA 1.496 62.803 61.300 0.011 0.000 1.374 633 I CB -0.355 37.645 38.000 0.001 0.000 1.057 633 I HN 0.402 nan 8.210 nan 0.000 0.413 634 Q N 1.505 121.306 119.800 0.003 0.000 2.030 634 Q HA -0.252 4.086 4.340 -0.004 0.000 0.204 634 Q C 1.940 177.954 176.000 0.023 0.000 0.986 634 Q CA 1.928 57.730 55.803 -0.002 0.000 0.843 634 Q CB -0.181 28.555 28.738 -0.003 0.000 0.904 634 Q HN 0.552 nan 8.270 nan 0.000 0.420 635 E N -0.133 120.084 120.200 0.029 0.000 2.171 635 E HA -0.182 4.166 4.350 -0.004 0.000 0.197 635 E C 1.743 178.349 176.600 0.010 0.000 0.997 635 E CA 1.099 57.505 56.400 0.010 0.000 0.810 635 E CB -0.123 29.574 29.700 -0.004 0.000 0.738 635 E HN 0.434 nan 8.360 nan 0.000 0.467 636 A N 0.468 123.296 122.820 0.014 0.000 2.016 636 A HA -0.006 4.312 4.320 -0.004 0.000 0.217 636 A C 2.039 179.635 177.584 0.020 0.000 1.162 636 A CA 0.575 52.620 52.037 0.014 0.000 0.662 636 A CB -0.126 18.883 19.000 0.015 0.000 0.812 636 A HN 0.105 nan 8.150 nan 0.000 0.450 637 L N -2.232 119.005 121.223 0.023 0.000 2.202 637 L HA 0.308 4.646 4.340 -0.004 0.000 0.205 637 L C 1.103 177.996 176.870 0.038 0.000 1.083 637 L CA 0.618 55.477 54.840 0.032 0.000 0.790 637 L CB 0.110 42.190 42.059 0.035 0.000 0.942 637 L HN 0.490 nan 8.230 nan 0.000 0.452 638 M N 1.248 120.869 119.600 0.036 0.000 2.488 638 M HA 0.291 4.769 4.480 -0.004 0.000 0.174 638 M C -2.900 173.448 176.300 0.080 0.000 0.963 638 M CA -1.298 54.031 55.300 0.048 0.000 0.900 638 M CB 1.902 34.532 32.600 0.050 0.000 2.927 638 M HN -0.303 nan 8.290 nan 0.000 0.394 639 P HA 0.237 nan 4.420 nan 0.000 0.276 639 P C -1.785 175.550 177.300 0.060 0.000 1.235 639 P CA 0.272 63.385 63.100 0.020 0.000 0.772 639 P CB 0.190 31.873 31.700 -0.029 0.000 0.871 640 Y N 0.215 120.472 120.300 -0.071 0.000 2.659 640 Y HA 0.707 5.255 4.550 -0.004 0.000 0.333 640 Y C -0.022 175.847 175.900 -0.052 0.000 1.064 640 Y CA -1.478 56.569 58.100 -0.089 0.000 1.141 640 Y CB 0.845 39.259 38.460 -0.077 0.000 1.316 640 Y HN 0.188 nan 8.280 nan 0.000 0.509 641 E N 1.186 121.429 120.200 0.073 0.000 2.232 641 E HA 0.675 5.022 4.350 -0.004 0.000 0.264 641 E C -1.348 175.449 176.600 0.327 0.000 0.973 641 E CA -0.830 55.635 56.400 0.109 0.000 0.849 641 E CB 2.583 32.340 29.700 0.096 0.000 1.198 641 E HN 0.743 nan 8.360 nan 0.000 0.407 642 L N 1.346 122.761 121.223 0.320 0.000 2.643 642 L HA 0.255 4.592 4.340 -0.004 0.000 0.257 642 L C -2.637 174.387 176.870 0.257 0.000 0.922 642 L CA -1.827 53.225 54.840 0.354 0.000 0.909 642 L CB 2.681 44.899 42.059 0.265 0.000 1.424 642 L HN 0.212 nan 8.230 nan 0.000 0.422 643 P HA 0.074 nan 4.420 nan 0.000 0.267 643 P C 0.333 177.637 177.300 0.006 0.000 1.200 643 P CA 0.104 63.198 63.100 -0.011 0.000 0.772 643 P CB 0.960 32.559 31.700 -0.168 0.000 0.855 644 A N 4.142 126.946 122.820 -0.027 0.000 1.896 644 A HA -0.326 3.992 4.320 -0.004 0.000 0.220 644 A C 2.083 179.595 177.584 -0.120 0.000 1.206 644 A CA 2.535 54.542 52.037 -0.049 0.000 0.647 644 A CB -1.361 17.610 19.000 -0.049 0.000 0.828 644 A HN 0.637 nan 8.150 nan 0.000 0.455 645 K N -1.927 118.324 120.400 -0.248 0.000 2.173 645 K HA -0.203 4.115 4.320 -0.004 0.000 0.207 645 K C 0.592 176.852 176.600 -0.568 0.000 1.046 645 K CA 1.938 57.941 56.287 -0.472 0.000 0.929 645 K CB -0.315 31.745 32.500 -0.733 0.000 0.720 645 K HN 0.587 nan 8.250 nan 0.000 0.453 646 Y N -0.297 120.011 120.300 0.012 0.000 2.681 646 Y HA 0.281 4.828 4.550 -0.004 0.000 0.267 646 Y C 1.133 177.056 175.900 0.038 0.000 1.166 646 Y CA -0.468 57.650 58.100 0.030 0.000 1.209 646 Y CB 0.480 38.972 38.460 0.053 0.000 1.161 646 Y HN -0.041 nan 8.280 nan 0.000 0.534 647 K N 1.084 121.534 120.400 0.084 0.000 2.296 647 K HA 0.219 4.536 4.320 -0.004 0.000 0.200 647 K C 1.132 177.749 176.600 0.028 0.000 1.048 647 K CA 0.425 56.743 56.287 0.052 0.000 0.966 647 K CB 0.034 32.537 32.500 0.004 0.000 0.754 647 K HN 0.262 nan 8.250 nan 0.000 0.466 648 A N 1.440 124.274 122.820 0.024 0.000 2.547 648 A HA 0.043 4.360 4.320 -0.004 0.000 0.233 648 A C -0.231 177.362 177.584 0.016 0.000 1.067 648 A CA 0.193 52.233 52.037 0.006 0.000 0.763 648 A CB 0.141 19.145 19.000 0.007 0.000 1.007 648 A HN 0.347 nan 8.150 nan 0.000 0.506 649 R N 0.741 121.230 120.500 -0.017 0.000 2.577 649 R HA 0.209 4.546 4.340 -0.004 0.000 0.269 649 R C -0.642 175.668 176.300 0.016 0.000 1.084 649 R CA -0.599 55.494 56.100 -0.011 0.000 1.163 649 R CB 0.382 30.634 30.300 -0.080 0.000 1.100 649 R HN 0.765 nan 8.270 nan 0.000 0.547 650 N N 2.288 121.010 118.700 0.036 0.000 2.485 650 N HA 0.013 4.751 4.740 -0.004 0.000 0.243 650 N C -0.556 174.967 175.510 0.023 0.000 0.987 650 N CA -0.192 52.873 53.050 0.026 0.000 0.940 650 N CB 1.351 39.852 38.487 0.024 0.000 1.122 650 N HN 0.552 nan 8.380 nan 0.000 0.509 651 E N 2.717 122.924 120.200 0.011 0.000 2.442 651 E HA 0.009 4.356 4.350 -0.004 0.000 0.262 651 E C -0.505 176.101 176.600 0.009 0.000 1.004 651 E CA 0.304 56.710 56.400 0.010 0.000 0.928 651 E CB 0.756 30.459 29.700 0.004 0.000 0.937 651 E HN 0.379 nan 8.360 nan 0.000 0.446 652 R N 2.551 123.059 120.500 0.013 0.000 2.836 652 R HA 0.330 4.668 4.340 -0.004 0.000 0.269 652 R C -1.047 175.262 176.300 0.016 0.000 1.010 652 R CA -1.219 54.888 56.100 0.013 0.000 0.930 652 R CB 0.921 31.232 30.300 0.018 0.000 1.218 652 R HN 0.464 nan 8.270 nan 0.000 0.473 653 L N 1.297 122.536 121.223 0.028 0.000 2.477 653 L HA 0.271 4.608 4.340 -0.004 0.000 0.272 653 L C 0.567 177.455 176.870 0.029 0.000 1.157 653 L CA 1.478 56.347 54.840 0.048 0.000 0.889 653 L CB 0.598 42.721 42.059 0.106 0.000 1.158 653 L HN 0.900 nan 8.230 nan 0.000 0.473 654 G N 3.106 111.897 108.800 -0.016 0.000 2.467 654 G HA2 -0.188 3.770 3.960 -0.004 0.000 0.242 654 G HA3 -0.188 3.770 3.960 -0.004 0.000 0.242 654 G C -0.475 174.411 174.900 -0.023 0.000 1.127 654 G CA -0.169 44.904 45.100 -0.044 0.000 0.924 654 G HN 0.656 nan 8.290 nan 0.000 0.499 655 D N 0.687 121.074 120.400 -0.022 0.000 2.454 655 D HA 0.740 5.378 4.640 -0.004 0.000 0.247 655 D C 0.476 176.767 176.300 -0.016 0.000 1.129 655 D CA 1.082 55.077 54.000 -0.008 0.000 0.877 655 D CB 1.012 41.814 40.800 0.003 0.000 1.082 655 D HN 1.001 nan 8.370 nan 0.000 0.537 656 K N 0.000 120.390 120.400 -0.016 0.000 2.780 656 K HA 0.000 4.318 4.320 -0.004 0.000 0.191 656 K CA 0.000 nan 56.287 nan 0.000 0.838 656 K CB 0.000 nan 32.500 nan 0.000 1.064 656 K HN 0.000 nan 8.250 nan 0.000 0.543