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 1ryy_1_F DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPASVXXXX XQQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSAEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK 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 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.329 175.328 0.001 0.000 0.993 50 H CA 0.000 56.048 56.048 0.001 0.000 1.023 50 H CB 0.000 29.762 29.762 0.001 0.000 1.292 51 D N 3.484 123.830 120.400 -0.091 0.000 2.339 51 D HA 0.120 4.760 4.640 -0.001 0.000 0.256 51 D C -1.399 174.792 176.300 -0.183 0.000 1.214 51 D CA -1.564 52.355 54.000 -0.135 0.000 0.877 51 D CB 1.649 42.423 40.800 -0.044 0.000 1.111 51 D HN 0.350 nan 8.370 nan 0.000 0.478 52 P HA -0.028 nan 4.420 nan 0.000 0.229 52 P C 1.440 178.701 177.300 -0.065 0.000 1.160 52 P CA 0.412 63.416 63.100 -0.159 0.000 0.777 52 P CB 0.472 32.080 31.700 -0.153 0.000 0.814 53 L N -1.598 119.593 121.223 -0.054 0.000 2.558 53 L HA 0.125 4.464 4.340 -0.001 0.000 0.225 53 L C 2.112 178.974 176.870 -0.013 0.000 1.128 53 L CA 0.646 55.470 54.840 -0.027 0.000 0.868 53 L CB -0.211 41.833 42.059 -0.026 0.000 1.006 53 L HN -0.047 nan 8.230 nan 0.000 0.454 54 S N -1.723 113.971 115.700 -0.010 0.000 2.931 54 S HA 0.196 4.666 4.470 -0.001 0.000 0.251 54 S C 0.441 175.055 174.600 0.024 0.000 1.078 54 S CA -0.181 58.023 58.200 0.006 0.000 0.835 54 S CB 0.887 64.091 63.200 0.007 0.000 0.798 54 S HN -0.058 nan 8.310 nan 0.000 0.495 55 V N 3.133 123.073 119.914 0.043 0.000 2.370 55 V HA 0.590 4.710 4.120 -0.001 0.000 0.283 55 V C -0.522 175.639 176.094 0.111 0.000 1.023 55 V CA -0.582 61.773 62.300 0.093 0.000 0.857 55 V CB 1.202 33.128 31.823 0.172 0.000 0.985 55 V HN 0.301 nan 8.190 nan 0.000 0.443 56 Q N 3.281 123.129 119.800 0.081 0.000 2.348 56 Q HA 0.448 4.787 4.340 -0.001 0.000 0.265 56 Q C 0.483 176.523 176.000 0.067 0.000 0.998 56 Q CA -0.064 55.783 55.803 0.072 0.000 0.831 56 Q CB 1.753 30.515 28.738 0.040 0.000 1.251 56 Q HN 0.877 nan 8.270 nan 0.000 0.456 57 T N 0.046 114.651 114.554 0.085 0.000 3.054 57 T HA 0.421 4.770 4.350 -0.001 0.000 0.255 57 T C 0.758 175.478 174.700 0.033 0.000 1.035 57 T CA 0.172 62.296 62.100 0.041 0.000 0.941 57 T CB 0.599 69.469 68.868 0.004 0.000 1.026 57 T HN 0.487 nan 8.240 nan 0.000 0.533 58 G N 1.058 109.885 108.800 0.044 0.000 2.940 58 G HA2 0.560 4.519 3.960 -0.001 0.000 0.164 58 G HA3 0.560 4.519 3.960 -0.001 0.000 0.164 58 G C -0.847 174.066 174.900 0.023 0.000 1.326 58 G CA -0.574 44.544 45.100 0.031 0.000 1.020 58 G HN 0.310 nan 8.290 nan 0.000 0.586 59 S N -1.256 114.456 115.700 0.019 0.000 2.549 59 S HA 0.386 4.856 4.470 -0.001 0.000 0.297 59 S C -0.058 174.550 174.600 0.014 0.000 1.115 59 S CA -0.552 57.656 58.200 0.014 0.000 1.059 59 S CB 1.559 64.766 63.200 0.012 0.000 1.046 59 S HN 0.338 nan 8.310 nan 0.000 0.506 60 D N 2.263 122.670 120.400 0.012 0.000 2.340 60 D HA 0.247 4.886 4.640 -0.001 0.000 0.220 60 D C -0.076 176.230 176.300 0.009 0.000 1.039 60 D CA 0.413 54.419 54.000 0.010 0.000 0.866 60 D CB 0.020 40.826 40.800 0.010 0.000 0.913 60 D HN 0.485 nan 8.370 nan 0.000 0.523 61 I N 2.121 122.697 120.570 0.009 0.000 2.342 61 I HA 0.190 4.360 4.170 -0.001 0.000 0.291 61 I C -1.901 174.221 176.117 0.009 0.000 1.010 61 I CA -1.814 59.491 61.300 0.008 0.000 1.308 61 I CB 1.215 39.220 38.000 0.008 0.000 1.400 61 I HN -0.255 nan 8.210 nan 0.000 0.488 62 P HA 0.178 nan 4.420 nan 0.000 0.272 62 P C 0.326 177.631 177.300 0.009 0.000 1.230 62 P CA -0.353 62.752 63.100 0.008 0.000 0.788 62 P CB 0.935 32.640 31.700 0.007 0.000 0.949 63 A N 1.563 124.388 122.820 0.009 0.000 1.858 63 A HA -0.002 4.317 4.320 -0.001 0.000 0.216 63 A C 0.753 178.343 177.584 0.010 0.000 1.190 63 A CA 1.708 53.751 52.037 0.009 0.000 0.617 63 A CB -0.892 18.113 19.000 0.009 0.000 0.827 63 A HN 0.628 nan 8.150 nan 0.000 0.443 64 S N -0.789 114.917 115.700 0.009 0.000 2.733 64 S HA 0.560 5.029 4.470 -0.001 0.000 0.294 64 S C -0.349 174.257 174.600 0.010 0.000 1.149 64 S CA -0.390 57.816 58.200 0.010 0.000 1.034 64 S CB 1.067 64.274 63.200 0.011 0.000 1.015 64 S HN 0.794 nan 8.310 nan 0.000 0.486 72 Q N 0.824 120.599 119.800 -0.042 0.000 2.282 72 Q HA 0.289 4.629 4.340 -0.001 0.000 0.206 72 Q C -0.027 175.955 176.000 -0.030 0.000 0.878 72 Q CA 0.020 55.808 55.803 -0.026 0.000 0.944 72 Q CB 0.856 29.585 28.738 -0.016 0.000 1.100 72 Q HN 0.140 nan 8.270 nan 0.000 0.509 73 R N 0.794 121.249 120.500 -0.076 0.000 2.643 73 R HA 0.062 4.402 4.340 -0.001 0.000 0.272 73 R C 0.030 176.296 176.300 -0.056 0.000 0.995 73 R CA -0.142 55.893 56.100 -0.108 0.000 1.032 73 R CB 0.712 30.790 30.300 -0.370 0.000 1.126 73 R HN 0.043 nan 8.270 nan 0.000 0.505 74 D N 0.510 120.941 120.400 0.052 0.000 2.424 74 D HA 0.028 4.667 4.640 -0.001 0.000 0.220 74 D C -0.618 175.791 176.300 0.181 0.000 1.150 74 D CA -0.113 53.947 54.000 0.099 0.000 0.831 74 D CB -0.081 40.787 40.800 0.113 0.000 0.981 74 D HN 0.457 nan 8.370 nan 0.000 0.500 75 Y N -1.950 118.364 120.300 0.023 0.000 2.638 75 Y HA 0.660 5.209 4.550 -0.001 0.000 0.335 75 Y C -1.765 174.151 175.900 0.027 0.000 1.155 75 Y CA -1.714 56.402 58.100 0.027 0.000 1.046 75 Y CB 1.074 39.554 38.460 0.034 0.000 1.303 75 Y HN -0.228 nan 8.280 nan 0.000 0.460 76 I N 2.673 123.311 120.570 0.114 0.000 2.465 76 I HA 0.409 4.578 4.170 -0.001 0.000 0.291 76 I C -0.798 175.423 176.117 0.173 0.000 1.014 76 I CA -0.886 60.430 61.300 0.025 0.000 1.093 76 I CB 2.116 40.132 38.000 0.027 0.000 1.267 76 I HN 0.590 nan 8.210 nan 0.000 0.431 77 K N 6.245 126.727 120.400 0.138 0.000 2.235 77 K HA 0.549 4.868 4.320 -0.001 0.000 0.266 77 K C -0.748 175.916 176.600 0.107 0.000 0.980 77 K CA -0.680 55.718 56.287 0.184 0.000 0.849 77 K CB 1.131 33.774 32.500 0.238 0.000 1.098 77 K HN 0.526 nan 8.250 nan 0.000 0.445 78 R N 2.796 123.352 120.500 0.094 0.000 2.437 78 R HA 0.207 4.546 4.340 -0.001 0.000 0.310 78 R C -0.996 175.325 176.300 0.034 0.000 0.955 78 R CA -0.539 55.605 56.100 0.073 0.000 0.851 78 R CB 1.532 31.884 30.300 0.087 0.000 1.161 78 R HN 0.604 nan 8.270 nan 0.000 0.446 79 E N 3.203 123.427 120.200 0.040 0.000 2.114 79 E HA 0.273 4.622 4.350 -0.001 0.000 0.266 79 E C -0.866 175.735 176.600 0.002 0.000 0.896 79 E CA -0.664 55.733 56.400 -0.005 0.000 0.750 79 E CB 1.733 31.526 29.700 0.155 0.000 1.121 79 E HN 0.296 nan 8.360 nan 0.000 0.413 80 V N -0.140 119.706 119.914 -0.113 0.000 2.962 80 V HA 0.540 4.659 4.120 -0.001 0.000 0.313 80 V C -0.291 175.695 176.094 -0.180 0.000 1.099 80 V CA -1.172 61.065 62.300 -0.105 0.000 0.971 80 V CB 2.110 33.854 31.823 -0.131 0.000 1.028 80 V HN 0.548 nan 8.190 nan 0.000 0.430 81 M N 2.921 122.443 119.600 -0.130 0.000 2.208 81 M HA 0.396 4.875 4.480 -0.001 0.000 0.352 81 M C -0.589 175.551 176.300 -0.267 0.000 1.137 81 M CA -0.365 54.868 55.300 -0.112 0.000 1.091 81 M CB 0.794 33.392 32.600 -0.004 0.000 1.309 81 M HN 0.575 nan 8.290 nan 0.000 0.408 82 V N 6.881 126.534 119.914 -0.435 0.000 2.446 82 V HA 0.162 4.282 4.120 -0.001 0.000 0.276 82 V C -1.799 174.130 176.094 -0.276 0.000 1.030 82 V CA -0.987 60.938 62.300 -0.625 0.000 1.033 82 V CB 0.223 31.588 31.823 -0.763 0.000 0.993 82 V HN 0.521 nan 8.190 nan 0.000 0.477 83 P HA 0.280 nan 4.420 nan 0.000 0.281 83 P C -0.386 176.921 177.300 0.013 0.000 1.252 83 P CA -0.382 62.695 63.100 -0.037 0.000 0.778 83 P CB 0.955 32.666 31.700 0.019 0.000 0.895 84 M N 2.960 122.579 119.600 0.032 0.000 2.154 84 M HA 0.260 4.739 4.480 -0.001 0.000 0.251 84 M C 2.099 178.443 176.300 0.073 0.000 1.200 84 M CA -0.513 54.825 55.300 0.064 0.000 0.967 84 M CB 0.117 32.753 32.600 0.060 0.000 1.362 84 M HN 0.390 nan 8.290 nan 0.000 0.522 85 R N 0.700 121.246 120.500 0.076 0.000 2.189 85 R HA -0.115 4.224 4.340 -0.001 0.000 0.223 85 R C 0.466 176.789 176.300 0.038 0.000 1.092 85 R CA 1.685 57.819 56.100 0.057 0.000 0.989 85 R CB -0.513 29.807 30.300 0.034 0.000 0.876 85 R HN 0.677 nan 8.270 nan 0.000 0.457 86 D N -0.643 119.780 120.400 0.038 0.000 2.368 86 D HA 0.101 4.740 4.640 -0.001 0.000 0.218 86 D C 1.043 177.363 176.300 0.034 0.000 1.112 86 D CA 0.466 54.485 54.000 0.032 0.000 0.834 86 D CB 0.576 41.394 40.800 0.031 0.000 0.953 86 D HN 0.394 nan 8.370 nan 0.000 0.505 87 G N 0.046 108.869 108.800 0.038 0.000 2.217 87 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.246 87 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.246 87 G C 0.261 175.180 174.900 0.032 0.000 0.990 87 G CA 0.152 45.273 45.100 0.035 0.000 0.627 87 G HN 0.361 nan 8.290 nan 0.000 0.522 88 V N 1.911 121.846 119.914 0.035 0.000 2.521 88 V HA 0.334 4.453 4.120 -0.001 0.000 0.286 88 V C 0.795 176.904 176.094 0.026 0.000 1.034 88 V CA 0.397 62.718 62.300 0.035 0.000 1.045 88 V CB 1.204 33.054 31.823 0.045 0.000 0.974 88 V HN 0.364 nan 8.190 nan 0.000 0.480 89 K N 5.700 126.113 120.400 0.020 0.000 2.172 89 K HA 0.624 4.943 4.320 -0.001 0.000 0.276 89 K C -0.911 175.697 176.600 0.014 0.000 1.013 89 K CA -0.385 55.902 56.287 0.000 0.000 0.913 89 K CB 1.278 33.778 32.500 0.000 0.000 1.055 89 K HN 0.497 nan 8.250 nan 0.000 0.461 90 L N 3.473 124.686 121.223 -0.017 0.000 2.313 90 L HA 0.307 4.646 4.340 -0.001 0.000 0.283 90 L C -0.641 176.238 176.870 0.014 0.000 1.013 90 L CA -1.169 53.682 54.840 0.018 0.000 0.816 90 L CB 0.826 42.886 42.059 0.002 0.000 1.236 90 L HN 0.605 nan 8.230 nan 0.000 0.419 91 Y N 3.170 123.451 120.300 -0.032 0.000 2.537 91 Y HA 0.153 4.703 4.550 -0.001 0.000 0.339 91 Y C -0.160 175.725 175.900 -0.026 0.000 1.066 91 Y CA 0.013 58.095 58.100 -0.029 0.000 1.357 91 Y CB 0.504 38.970 38.460 0.010 0.000 1.175 91 Y HN 0.471 nan 8.280 nan 0.000 0.525 92 T N 6.530 120.771 114.554 -0.523 0.000 2.807 92 T HA 0.508 4.857 4.350 -0.001 0.000 0.279 92 T C -0.991 173.396 174.700 -0.521 0.000 0.993 92 T CA -0.738 61.103 62.100 -0.432 0.000 0.970 92 T CB 1.205 69.894 68.868 -0.299 0.000 0.950 92 T HN 0.381 nan 8.240 nan 0.000 0.441 93 V N 4.490 124.204 119.914 -0.333 0.000 2.370 93 V HA 0.499 4.618 4.120 -0.001 0.000 0.283 93 V C -0.198 175.883 176.094 -0.023 0.000 1.023 93 V CA -0.817 61.374 62.300 -0.182 0.000 0.857 93 V CB 0.855 32.637 31.823 -0.067 0.000 0.985 93 V HN 0.799 nan 8.190 nan 0.000 0.443 94 I N 5.070 125.645 120.570 0.008 0.000 2.355 94 I HA 0.403 4.572 4.170 -0.001 0.000 0.288 94 I C -0.464 175.706 176.117 0.088 0.000 0.999 94 I CA -0.738 60.595 61.300 0.054 0.000 1.163 94 I CB 1.861 39.907 38.000 0.076 0.000 1.316 94 I HN 0.308 nan 8.210 nan 0.000 0.454 95 V N 7.687 127.656 119.914 0.091 0.000 2.304 95 V HA 0.400 4.519 4.120 -0.001 0.000 0.269 95 V C 0.093 176.252 176.094 0.109 0.000 1.036 95 V CA -0.315 62.055 62.300 0.116 0.000 0.840 95 V CB 0.519 32.375 31.823 0.056 0.000 1.036 95 V HN 0.491 nan 8.190 nan 0.000 0.466 96 I N 7.167 127.819 120.570 0.138 0.000 2.354 96 I HA 0.427 4.596 4.170 -0.001 0.000 0.292 96 I C -2.344 173.858 176.117 0.142 0.000 0.989 96 I CA -2.203 59.161 61.300 0.107 0.000 1.188 96 I CB 2.105 40.150 38.000 0.075 0.000 1.342 96 I HN 0.369 nan 8.210 nan 0.000 0.457 97 P HA 0.077 nan 4.420 nan 0.000 0.271 97 P C -0.697 176.658 177.300 0.090 0.000 1.218 97 P CA -0.530 62.646 63.100 0.128 0.000 0.780 97 P CB 0.545 32.300 31.700 0.091 0.000 0.901 98 K N 2.685 123.136 120.400 0.085 0.000 2.448 98 K HA 0.002 4.322 4.320 -0.001 0.000 0.278 98 K C 0.506 177.124 176.600 0.030 0.000 1.009 98 K CA 0.225 56.538 56.287 0.043 0.000 0.995 98 K CB -0.452 32.064 32.500 0.027 0.000 0.917 98 K HN 0.462 nan 8.250 nan 0.000 0.481 99 N N 0.240 118.951 118.700 0.017 0.000 2.758 99 N HA -0.221 4.518 4.740 -0.001 0.000 0.248 99 N C -1.414 174.100 175.510 0.007 0.000 1.076 99 N CA 0.724 53.780 53.050 0.009 0.000 0.696 99 N CB -0.767 37.725 38.487 0.007 0.000 0.979 99 N HN 0.562 nan 8.380 nan 0.000 0.550 100 A N 1.142 123.967 122.820 0.009 0.000 2.337 100 A HA 0.793 5.112 4.320 -0.001 0.000 0.329 100 A C 0.409 177.985 177.584 -0.012 0.000 1.146 100 A CA -0.607 51.430 52.037 0.001 0.000 0.800 100 A CB 1.321 20.326 19.000 0.009 0.000 1.220 100 A HN 0.383 nan 8.150 nan 0.000 0.472 101 R N 1.052 121.537 120.500 -0.024 0.000 2.626 101 R HA 0.519 4.858 4.340 -0.001 0.000 0.274 101 R C -0.836 175.436 176.300 -0.048 0.000 1.031 101 R CA -0.656 55.423 56.100 -0.034 0.000 0.898 101 R CB 0.567 30.850 30.300 -0.029 0.000 1.222 101 R HN 0.760 nan 8.270 nan 0.000 0.455 102 N N -0.366 118.298 118.700 -0.059 0.000 2.727 102 N HA -0.213 4.526 4.740 -0.001 0.000 0.251 102 N C -1.196 174.255 175.510 -0.099 0.000 1.040 102 N CA 0.991 53.996 53.050 -0.075 0.000 0.712 102 N CB -0.526 37.921 38.487 -0.065 0.000 0.912 102 N HN 0.800 nan 8.380 nan 0.000 0.545 103 A N 0.444 123.198 122.820 -0.110 0.000 2.324 103 A HA 0.747 5.066 4.320 -0.001 0.000 0.330 103 A C -2.234 175.221 177.584 -0.216 0.000 1.165 103 A CA -1.420 50.522 52.037 -0.159 0.000 0.813 103 A CB 1.198 20.130 19.000 -0.113 0.000 1.197 103 A HN 0.079 nan 8.150 nan 0.000 0.484 104 P HA 0.304 nan 4.420 nan 0.000 0.272 104 P C -0.786 176.350 177.300 -0.273 0.000 1.230 104 P CA 0.165 63.023 63.100 -0.403 0.000 0.788 104 P CB 0.749 31.987 31.700 -0.770 0.000 0.949 105 I N 1.797 122.288 120.570 -0.133 0.000 2.378 105 I HA 0.245 4.414 4.170 -0.001 0.000 0.291 105 I C -0.017 176.111 176.117 0.018 0.000 0.992 105 I CA -0.979 60.295 61.300 -0.044 0.000 1.154 105 I CB 1.692 39.652 38.000 -0.066 0.000 1.315 105 I HN 0.149 nan 8.210 nan 0.000 0.448 106 L N 7.996 129.230 121.223 0.018 0.000 2.277 106 L HA 0.477 4.816 4.340 -0.001 0.000 0.284 106 L C -0.830 175.926 176.870 -0.190 0.000 1.028 106 L CA -0.328 54.452 54.840 -0.100 0.000 0.835 106 L CB 1.178 43.049 42.059 -0.314 0.000 1.215 106 L HN 0.470 nan 8.230 nan 0.000 0.425 107 L N 4.463 125.591 121.223 -0.158 0.000 2.325 107 L HA 0.805 5.144 4.340 -0.001 0.000 0.278 107 L C -0.640 176.096 176.870 -0.222 0.000 1.023 107 L CA 0.426 55.151 54.840 -0.191 0.000 0.811 107 L CB 2.089 44.080 42.059 -0.113 0.000 1.249 107 L HN 0.586 nan 8.230 nan 0.000 0.431 108 T N 4.414 118.788 114.554 -0.301 0.000 2.991 108 T HA 0.501 4.850 4.350 -0.001 0.000 0.303 108 T C -0.862 173.801 174.700 -0.062 0.000 1.015 108 T CA -0.614 61.352 62.100 -0.224 0.000 1.007 108 T CB 1.113 69.716 68.868 -0.442 0.000 1.034 108 T HN 0.584 nan 8.240 nan 0.000 0.446 109 R N 1.861 122.380 120.500 0.032 0.000 2.255 109 R HA 0.717 5.057 4.340 -0.001 0.000 0.326 109 R C -0.284 176.098 176.300 0.137 0.000 0.986 109 R CA -0.752 55.400 56.100 0.086 0.000 0.847 109 R CB 1.605 31.948 30.300 0.073 0.000 1.111 109 R HN 0.530 nan 8.270 nan 0.000 0.452 110 T N 2.243 116.890 114.554 0.155 0.000 2.933 110 T HA 0.393 4.743 4.350 -0.001 0.000 0.305 110 T C -2.379 172.342 174.700 0.035 0.000 1.092 110 T CA -1.939 60.224 62.100 0.106 0.000 1.008 110 T CB 1.920 70.918 68.868 0.216 0.000 1.102 110 T HN 0.333 nan 8.240 nan 0.000 0.469 111 P HA 0.234 nan 4.420 nan 0.000 0.262 111 P C -0.249 177.048 177.300 -0.005 0.000 1.304 111 P CA -0.059 62.989 63.100 -0.088 0.000 0.859 111 P CB -0.112 31.511 31.700 -0.129 0.000 1.310 112 Y N 0.626 120.993 120.300 0.113 0.000 2.746 112 Y HA 0.283 4.832 4.550 -0.001 0.000 0.312 112 Y C 0.631 176.370 175.900 -0.269 0.000 1.117 112 Y CA -1.529 56.580 58.100 0.015 0.000 1.324 112 Y CB -1.348 37.156 38.460 0.072 0.000 1.173 112 Y HN 0.118 nan 8.280 nan 0.000 0.529 113 N N 0.097 118.536 118.700 -0.436 0.000 2.371 113 N HA -0.205 4.534 4.740 -0.001 0.000 0.286 113 N C 0.819 176.164 175.510 -0.275 0.000 1.438 113 N CA 0.245 52.823 53.050 -0.788 0.000 0.640 113 N CB -0.220 37.516 38.487 -1.251 0.000 0.914 113 N HN 0.450 nan 8.380 nan 0.000 0.495 114 A N 4.008 126.788 122.820 -0.066 0.000 1.908 114 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 114 A C 1.969 179.549 177.584 -0.007 0.000 1.181 114 A CA 1.964 54.021 52.037 0.033 0.000 0.627 114 A CB -0.271 18.841 19.000 0.188 0.000 0.818 114 A HN 0.784 nan 8.150 nan 0.000 0.445 115 K N -0.784 119.685 120.400 0.115 0.000 2.057 115 K HA -0.105 4.214 4.320 -0.001 0.000 0.207 115 K C 1.958 178.534 176.600 -0.041 0.000 1.049 115 K CA 1.431 57.787 56.287 0.116 0.000 0.931 115 K CB -0.465 32.115 32.500 0.133 0.000 0.714 115 K HN 0.401 nan 8.250 nan 0.000 0.440 116 G N 0.442 109.167 108.800 -0.125 0.000 2.430 116 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.216 116 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.216 116 G C 1.432 176.212 174.900 -0.199 0.000 1.146 116 G CA 0.017 45.033 45.100 -0.140 0.000 0.793 116 G HN 0.128 nan 8.290 nan 0.000 0.537 117 R N 0.814 121.117 120.500 -0.327 0.000 2.115 117 R HA 0.067 4.406 4.340 -0.001 0.000 0.230 117 R C 2.243 178.148 176.300 -0.659 0.000 1.111 117 R CA 1.012 56.773 56.100 -0.565 0.000 0.976 117 R CB -0.587 29.157 30.300 -0.928 0.000 0.870 117 R HN 0.320 nan 8.270 nan 0.000 0.445 118 A N 0.821 123.345 122.820 -0.493 0.000 2.411 118 A HA 0.126 4.445 4.320 -0.001 0.000 0.251 118 A C 0.122 177.636 177.584 -0.116 0.000 1.317 118 A CA -0.102 51.794 52.037 -0.235 0.000 0.904 118 A CB -0.060 18.911 19.000 -0.048 0.000 0.993 118 A HN 0.063 nan 8.150 nan 0.000 0.504 119 N N 0.038 118.662 118.700 -0.126 0.000 2.651 119 N HA 0.113 4.852 4.740 -0.001 0.000 0.277 119 N C 0.853 176.329 175.510 -0.057 0.000 1.787 119 N CA -0.264 52.750 53.050 -0.061 0.000 0.818 119 N CB 0.319 38.788 38.487 -0.030 0.000 1.316 119 N HN 0.414 nan 8.380 nan 0.000 0.503 120 R N -0.295 120.168 120.500 -0.061 0.000 2.091 120 R HA 0.014 4.353 4.340 -0.001 0.000 0.238 120 R C -0.195 176.097 176.300 -0.014 0.000 1.136 120 R CA 1.274 57.354 56.100 -0.034 0.000 0.959 120 R CB 0.298 30.584 30.300 -0.023 0.000 0.856 120 R HN 0.011 nan 8.270 nan 0.000 0.437 121 V N 4.154 124.063 119.914 -0.010 0.000 2.325 121 V HA 0.247 4.366 4.120 -0.001 0.000 0.280 121 V C -2.302 173.802 176.094 0.018 0.000 1.016 121 V CA -1.845 60.459 62.300 0.007 0.000 0.818 121 V CB 1.525 33.356 31.823 0.013 0.000 1.019 121 V HN 0.197 nan 8.190 nan 0.000 0.434 122 P HA -0.064 nan 4.420 nan 0.000 0.255 122 P C 0.291 177.624 177.300 0.055 0.000 1.161 122 P CA 0.730 63.848 63.100 0.030 0.000 0.768 122 P CB -0.134 31.580 31.700 0.023 0.000 0.746 123 N N -0.312 118.438 118.700 0.084 0.000 2.716 123 N HA -0.204 4.535 4.740 -0.001 0.000 0.250 123 N C 0.342 175.937 175.510 0.141 0.000 1.033 123 N CA 0.515 53.639 53.050 0.124 0.000 0.727 123 N CB -1.369 37.167 38.487 0.081 0.000 0.950 123 N HN 0.635 nan 8.380 nan 0.000 0.541 124 A N -0.186 122.727 122.820 0.155 0.000 2.429 124 A HA 0.266 4.586 4.320 -0.001 0.000 0.242 124 A C 1.428 179.153 177.584 0.235 0.000 1.088 124 A CA 0.008 52.134 52.037 0.148 0.000 0.784 124 A CB 0.286 19.343 19.000 0.095 0.000 1.038 124 A HN 0.350 nan 8.150 nan 0.000 0.501 125 L N 0.024 121.345 121.223 0.162 0.000 2.270 125 L HA 0.040 4.379 4.340 -0.001 0.000 0.210 125 L C 1.313 178.323 176.870 0.234 0.000 1.104 125 L CA 1.280 56.210 54.840 0.149 0.000 0.804 125 L CB -0.676 41.427 42.059 0.074 0.000 0.937 125 L HN 0.908 nan 8.230 nan 0.000 0.450 126 T N -4.400 110.285 114.554 0.218 0.000 2.918 126 T HA 0.275 4.624 4.350 -0.001 0.000 0.286 126 T C 0.645 175.404 174.700 0.098 0.000 1.026 126 T CA -0.667 61.548 62.100 0.191 0.000 1.031 126 T CB 2.388 71.309 68.868 0.089 0.000 1.046 126 T HN -0.024 nan 8.240 nan 0.000 0.479 127 M N 0.488 120.111 119.600 0.038 0.000 2.229 127 M HA 0.010 4.490 4.480 -0.001 0.000 0.264 127 M C 2.383 178.591 176.300 -0.153 0.000 1.063 127 M CA 1.332 56.481 55.300 -0.251 0.000 1.114 127 M CB -0.201 32.340 32.600 -0.098 0.000 1.387 127 M HN 0.752 nan 8.290 nan 0.000 0.420 128 R N 0.536 121.005 120.500 -0.052 0.000 2.096 128 R HA -0.137 4.202 4.340 -0.001 0.000 0.235 128 R C 1.695 177.970 176.300 -0.040 0.000 1.127 128 R CA 1.999 58.078 56.100 -0.035 0.000 0.968 128 R CB -0.283 30.011 30.300 -0.012 0.000 0.861 128 R HN 0.485 nan 8.270 nan 0.000 0.440 129 E N -0.922 119.257 120.200 -0.035 0.000 2.028 129 E HA -0.123 4.227 4.350 -0.001 0.000 0.190 129 E C 1.871 178.442 176.600 -0.048 0.000 0.984 129 E CA 1.258 57.644 56.400 -0.023 0.000 0.800 129 E CB -0.112 29.593 29.700 0.008 0.000 0.758 129 E HN 0.125 nan 8.360 nan 0.000 0.448 130 V N 1.316 121.167 119.914 -0.106 0.000 2.594 130 V HA -0.132 3.987 4.120 -0.001 0.000 0.253 130 V C 0.991 177.011 176.094 -0.123 0.000 1.069 130 V CA 1.024 63.237 62.300 -0.145 0.000 1.082 130 V CB -0.078 31.555 31.823 -0.316 0.000 0.680 130 V HN 0.075 nan 8.190 nan 0.000 0.469 131 L N 0.180 121.340 121.223 -0.105 0.000 2.375 131 L HA 0.410 4.749 4.340 -0.001 0.000 0.268 131 L C -2.185 174.676 176.870 -0.016 0.000 1.058 131 L CA -2.000 52.819 54.840 -0.036 0.000 0.803 131 L CB 0.940 42.996 42.059 -0.005 0.000 1.212 131 L HN -0.007 nan 8.230 nan 0.000 0.451 132 P HA -0.013 nan 4.420 nan 0.000 0.270 132 P C 0.029 177.311 177.300 -0.029 0.000 1.223 132 P CA -0.213 62.884 63.100 -0.004 0.000 0.785 132 P CB 0.515 32.222 31.700 0.012 0.000 0.923 133 Q N 1.390 121.154 119.800 -0.060 0.000 2.152 133 Q HA -0.165 4.175 4.340 -0.001 0.000 0.206 133 Q C 1.950 177.883 176.000 -0.113 0.000 0.985 133 Q CA 2.208 57.964 55.803 -0.079 0.000 0.863 133 Q CB -0.988 27.714 28.738 -0.060 0.000 0.904 133 Q HN 0.708 nan 8.270 nan 0.000 0.422 134 G N -0.348 108.343 108.800 -0.181 0.000 2.625 134 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.214 134 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.214 134 G C 0.491 175.398 174.900 0.011 0.000 1.132 134 G CA 0.743 45.774 45.100 -0.115 0.000 0.782 134 G HN 0.343 nan 8.290 nan 0.000 0.538 135 D N 0.548 120.960 120.400 0.020 0.000 2.349 135 D HA 0.037 4.676 4.640 -0.001 0.000 0.214 135 D C 1.938 178.257 176.300 0.031 0.000 1.063 135 D CA 0.354 54.403 54.000 0.083 0.000 0.847 135 D CB 0.161 41.000 40.800 0.064 0.000 0.933 135 D HN 0.372 nan 8.370 nan 0.000 0.513 136 D N 1.017 121.401 120.400 -0.026 0.000 2.154 136 D HA -0.218 4.421 4.640 -0.001 0.000 0.190 136 D C 2.023 178.254 176.300 -0.114 0.000 1.003 136 D CA 1.947 55.916 54.000 -0.052 0.000 0.849 136 D CB -0.949 39.828 40.800 -0.039 0.000 0.942 136 D HN 0.270 nan 8.370 nan 0.000 0.446 137 V N -2.578 117.184 119.914 -0.252 0.000 2.626 137 V HA -0.081 4.039 4.120 -0.001 0.000 0.252 137 V C 2.334 178.057 176.094 -0.617 0.000 1.067 137 V CA 1.166 63.185 62.300 -0.469 0.000 1.081 137 V CB -1.236 30.165 31.823 -0.703 0.000 0.686 137 V HN 0.008 nan 8.190 nan 0.000 0.468 138 F N 0.123 119.852 119.950 -0.368 0.000 2.512 138 F HA 0.196 4.722 4.527 -0.002 0.000 0.296 138 F C 2.286 177.994 175.800 -0.154 0.000 1.110 138 F CA 0.930 58.649 58.000 -0.469 0.000 1.446 138 F CB -0.470 38.137 39.000 -0.655 0.000 1.092 138 F HN -0.020 nan 8.300 nan 0.000 0.554 139 V N -0.339 119.594 119.914 0.032 0.000 2.488 139 V HA -0.200 3.920 4.120 -0.001 0.000 0.246 139 V C 2.061 178.176 176.094 0.034 0.000 1.046 139 V CA 1.645 63.972 62.300 0.045 0.000 1.053 139 V CB -0.426 31.403 31.823 0.011 0.000 0.679 139 V HN 0.221 nan 8.190 nan 0.000 0.458 140 E N 0.355 120.546 120.200 -0.015 0.000 2.204 140 E HA -0.097 4.252 4.350 -0.001 0.000 0.194 140 E C 2.118 178.723 176.600 0.009 0.000 0.989 140 E CA 1.031 57.421 56.400 -0.017 0.000 0.824 140 E CB -0.266 29.402 29.700 -0.054 0.000 0.756 140 E HN 0.607 nan 8.360 nan 0.000 0.477 141 G N -0.812 108.012 108.800 0.039 0.000 2.985 141 G HA2 0.152 4.112 3.960 -0.001 0.000 0.209 141 G HA3 0.152 4.112 3.960 -0.001 0.000 0.209 141 G C 0.947 175.979 174.900 0.220 0.000 1.165 141 G CA 0.125 45.310 45.100 0.143 0.000 0.776 141 G HN 0.366 nan 8.290 nan 0.000 0.541 142 G N -0.906 108.000 108.800 0.177 0.000 2.221 142 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.265 142 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.265 142 G C 0.129 175.123 174.900 0.157 0.000 1.041 142 G CA 0.028 45.207 45.100 0.131 0.000 0.807 142 G HN 0.361 nan 8.290 nan 0.000 0.502 143 Y N -0.824 119.504 120.300 0.046 0.000 2.299 143 Y HA 0.562 5.111 4.550 -0.001 0.000 0.335 143 Y C 1.442 177.350 175.900 0.014 0.000 1.287 143 Y CA -0.551 57.574 58.100 0.042 0.000 1.424 143 Y CB 0.612 39.125 38.460 0.088 0.000 1.326 143 Y HN 0.172 nan 8.280 nan 0.000 0.567 144 I N 3.137 123.773 120.570 0.111 0.000 2.321 144 I HA 0.260 4.429 4.170 -0.001 0.000 0.291 144 I C -0.264 175.882 176.117 0.049 0.000 0.998 144 I CA -0.807 60.528 61.300 0.059 0.000 1.227 144 I CB 1.003 39.008 38.000 0.009 0.000 1.368 144 I HN 0.346 nan 8.210 nan 0.000 0.466 145 R N 5.483 126.005 120.500 0.036 0.000 2.297 145 R HA 0.572 4.911 4.340 -0.001 0.000 0.308 145 R C -1.413 174.872 176.300 -0.025 0.000 1.029 145 R CA -0.358 55.730 56.100 -0.019 0.000 0.929 145 R CB 1.055 31.366 30.300 0.019 0.000 1.046 145 R HN 0.383 nan 8.270 nan 0.000 0.461 146 V N 5.926 125.763 119.914 -0.129 0.000 2.483 146 V HA 0.479 4.599 4.120 -0.001 0.000 0.297 146 V C -1.114 174.844 176.094 -0.226 0.000 1.027 146 V CA -0.601 61.639 62.300 -0.100 0.000 0.855 146 V CB 1.389 33.168 31.823 -0.074 0.000 0.995 146 V HN 0.585 nan 8.190 nan 0.000 0.424 147 F N 3.403 123.325 119.950 -0.046 0.000 2.477 147 F HA 0.590 5.117 4.527 -0.001 0.000 0.335 147 F C 0.108 175.871 175.800 -0.061 0.000 1.130 147 F CA -0.242 57.737 58.000 -0.034 0.000 0.948 147 F CB 1.937 40.925 39.000 -0.020 0.000 1.154 147 F HN 0.427 nan 8.300 nan 0.000 0.439 148 Q N 3.021 122.908 119.800 0.144 0.000 2.353 148 Q HA 0.297 4.636 4.340 -0.001 0.000 0.268 148 Q C -1.529 174.550 176.000 0.132 0.000 1.045 148 Q CA -0.940 54.906 55.803 0.072 0.000 0.811 148 Q CB 1.820 30.563 28.738 0.008 0.000 1.305 148 Q HN 0.464 nan 8.270 nan 0.000 0.447 149 D N 3.954 124.445 120.400 0.152 0.000 2.317 149 D HA 0.203 4.842 4.640 -0.001 0.000 0.252 149 D C 0.323 176.708 176.300 0.141 0.000 1.174 149 D CA -0.044 54.061 54.000 0.176 0.000 0.866 149 D CB 0.545 41.497 40.800 0.253 0.000 1.127 149 D HN 0.536 nan 8.370 nan 0.000 0.467 150 I N -0.658 119.994 120.570 0.136 0.000 3.060 150 I HA 0.193 4.363 4.170 -0.001 0.000 0.285 150 I C 0.858 177.067 176.117 0.155 0.000 1.190 150 I CA -0.815 60.575 61.300 0.150 0.000 1.363 150 I CB 0.634 38.752 38.000 0.196 0.000 1.396 150 I HN 0.157 nan 8.210 nan 0.000 0.607 151 R N 3.165 123.768 120.500 0.171 0.000 2.486 151 R HA 0.059 4.398 4.340 -0.001 0.000 0.304 151 R C 1.079 177.510 176.300 0.218 0.000 0.913 151 R CA 1.355 57.557 56.100 0.170 0.000 1.124 151 R CB -0.498 29.901 30.300 0.166 0.000 0.891 151 R HN 1.176 nan 8.270 nan 0.000 0.410 152 G N 3.013 111.901 108.800 0.147 0.000 2.159 152 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.256 152 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.256 152 G C -0.359 174.526 174.900 -0.025 0.000 0.977 152 G CA 0.266 45.443 45.100 0.129 0.000 0.652 152 G HN 0.505 nan 8.290 nan 0.000 0.531 153 K N -0.586 119.779 120.400 -0.059 0.000 2.270 153 K HA 0.664 4.983 4.320 -0.001 0.000 0.255 153 K C 0.875 177.517 176.600 0.069 0.000 0.936 153 K CA -0.890 55.315 56.287 -0.137 0.000 0.809 153 K CB 1.270 33.662 32.500 -0.180 0.000 1.131 153 K HN 0.196 nan 8.250 nan 0.000 0.427 154 Y N 0.328 120.572 120.300 -0.093 0.000 2.798 154 Y HA -0.446 4.104 4.550 -0.001 0.000 0.472 154 Y C 1.745 177.590 175.900 -0.092 0.000 1.128 154 Y CA 2.186 60.241 58.100 -0.075 0.000 2.775 154 Y CB -1.479 36.950 38.460 -0.052 0.000 1.152 154 Y HN 0.765 nan 8.280 nan 0.000 0.616 155 G N -0.025 108.819 108.800 0.074 0.000 2.920 155 G HA2 0.249 4.208 3.960 -0.001 0.000 0.208 155 G HA3 0.249 4.208 3.960 -0.001 0.000 0.208 155 G C 0.140 175.066 174.900 0.043 0.000 1.159 155 G CA 0.757 45.793 45.100 -0.107 0.000 0.784 155 G HN 0.270 nan 8.290 nan 0.000 0.535 156 S N 0.162 115.924 115.700 0.102 0.000 2.585 156 S HA 0.411 4.880 4.470 -0.001 0.000 0.277 156 S C 0.298 174.933 174.600 0.059 0.000 1.241 156 S CA -0.581 57.680 58.200 0.101 0.000 1.041 156 S CB 1.540 64.811 63.200 0.119 0.000 0.987 156 S HN 0.447 nan 8.310 nan 0.000 0.512 157 Q N 0.630 120.464 119.800 0.056 0.000 2.177 157 Q HA 0.669 5.009 4.340 -0.001 0.000 0.183 157 Q C 0.686 176.722 176.000 0.059 0.000 1.040 157 Q CA -0.532 55.297 55.803 0.044 0.000 1.089 157 Q CB 0.247 29.007 28.738 0.037 0.000 1.130 157 Q HN 0.954 nan 8.270 nan 0.000 0.575 158 G N 0.404 109.237 108.800 0.055 0.000 2.796 158 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.571 158 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.571 158 G C -1.437 173.513 174.900 0.083 0.000 1.370 158 G CA -0.656 44.485 45.100 0.068 0.000 0.856 158 G HN 0.560 nan 8.290 nan 0.000 0.538 159 D N -0.330 120.124 120.400 0.091 0.000 2.210 159 D HA 0.481 5.120 4.640 -0.001 0.000 0.249 159 D C -0.301 176.099 176.300 0.167 0.000 1.078 159 D CA 0.157 54.220 54.000 0.104 0.000 0.875 159 D CB 1.333 42.175 40.800 0.070 0.000 1.175 159 D HN 0.452 nan 8.370 nan 0.000 0.440 160 Y N 1.966 122.286 120.300 0.035 0.000 2.328 160 Y HA 0.397 4.947 4.550 -0.001 0.000 0.337 160 Y C -1.025 174.900 175.900 0.042 0.000 1.008 160 Y CA -0.672 57.453 58.100 0.041 0.000 1.129 160 Y CB 0.855 39.332 38.460 0.028 0.000 1.185 160 Y HN 0.040 nan 8.280 nan 0.000 0.476 161 V N 8.410 128.015 119.914 -0.515 0.000 2.483 161 V HA 0.214 4.333 4.120 -0.001 0.000 0.297 161 V C -0.144 175.503 176.094 -0.745 0.000 1.027 161 V CA -1.070 60.951 62.300 -0.464 0.000 0.855 161 V CB 1.284 33.028 31.823 -0.131 0.000 0.995 161 V HN 0.874 nan 8.190 nan 0.000 0.424 162 M N 5.836 124.954 119.600 -0.802 0.000 2.327 162 M HA 0.148 4.627 4.480 -0.001 0.000 0.353 162 M C 0.953 177.002 176.300 -0.419 0.000 1.539 162 M CA 1.117 55.965 55.300 -0.753 0.000 1.039 162 M CB -0.535 31.301 32.600 -1.273 0.000 1.967 162 M HN 1.200 nan 8.290 nan 0.000 0.459 163 T N 2.530 116.910 114.554 -0.289 0.000 3.549 163 T HA -0.259 4.091 4.350 -0.001 0.000 0.398 163 T C 0.099 174.815 174.700 0.026 0.000 0.766 163 T CA 0.962 62.827 62.100 -0.391 0.000 2.007 163 T CB -1.643 66.984 68.868 -0.402 0.000 1.727 163 T HN 1.006 nan 8.240 nan 0.000 0.693 164 R N 1.651 122.239 120.500 0.146 0.000 2.526 164 R HA 0.137 4.476 4.340 -0.001 0.000 0.319 164 R C -2.046 174.412 176.300 0.262 0.000 0.888 164 R CA -0.779 55.428 56.100 0.178 0.000 1.127 164 R CB 0.189 30.594 30.300 0.174 0.000 0.888 164 R HN 0.367 nan 8.270 nan 0.000 0.410 165 P HA 0.076 nan 4.420 nan 0.000 0.269 165 P C -2.431 174.937 177.300 0.114 0.000 1.209 165 P CA -1.062 62.104 63.100 0.110 0.000 0.776 165 P CB 0.424 32.123 31.700 -0.002 0.000 0.876 166 P HA 0.016 nan 4.420 nan 0.000 0.272 166 P C -0.352 177.004 177.300 0.093 0.000 1.230 166 P CA -0.048 63.115 63.100 0.106 0.000 0.788 166 P CB 0.184 31.941 31.700 0.096 0.000 0.949 167 H N 0.060 119.149 119.070 0.032 0.000 3.192 167 H HA 0.315 4.870 4.556 -0.001 0.000 0.295 167 H C 0.779 176.115 175.328 0.013 0.000 0.943 167 H CA 2.190 58.250 56.048 0.019 0.000 1.416 167 H CB -0.607 29.162 29.762 0.011 0.000 1.434 167 H HN 0.742 nan 8.280 nan 0.000 0.565 168 G N 3.941 112.452 108.800 -0.481 0.000 2.498 168 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.181 168 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.181 168 G C -2.098 172.648 174.900 -0.256 0.000 1.169 168 G CA -0.275 44.608 45.100 -0.360 0.000 0.992 168 G HN 0.457 nan 8.290 nan 0.000 0.490 169 P HA 0.157 nan 4.420 nan 0.000 0.229 169 P C 1.302 178.553 177.300 -0.081 0.000 1.160 169 P CA 0.740 63.777 63.100 -0.105 0.000 0.777 169 P CB 0.255 31.903 31.700 -0.085 0.000 0.814 170 L N -1.727 119.444 121.223 -0.086 0.000 2.640 170 L HA 0.289 4.629 4.340 -0.001 0.000 0.230 170 L C 0.534 177.388 176.870 -0.027 0.000 1.123 170 L CA 0.108 54.915 54.840 -0.056 0.000 0.900 170 L CB -0.193 41.804 42.059 -0.104 0.000 1.146 170 L HN -0.065 nan 8.230 nan 0.000 0.484 171 N N 0.236 118.908 118.700 -0.046 0.000 2.793 171 N HA 0.174 4.913 4.740 -0.001 0.000 0.251 171 N C -2.465 173.033 175.510 -0.021 0.000 1.308 171 N CA -1.080 51.969 53.050 -0.003 0.000 0.781 171 N CB 1.574 40.084 38.487 0.039 0.000 1.439 171 N HN -0.264 nan 8.380 nan 0.000 0.562 172 P HA 0.100 nan 4.420 nan 0.000 0.257 172 P C 0.281 177.661 177.300 0.133 0.000 1.281 172 P CA 0.194 63.313 63.100 0.032 0.000 0.826 172 P CB -0.089 31.618 31.700 0.011 0.000 1.237 173 T N -2.562 112.073 114.554 0.135 0.000 2.788 173 T HA 0.227 4.576 4.350 -0.001 0.000 0.280 173 T C 1.244 176.019 174.700 0.125 0.000 0.984 173 T CA -0.494 61.673 62.100 0.111 0.000 0.972 173 T CB 1.010 69.925 68.868 0.079 0.000 1.039 173 T HN -0.196 nan 8.240 nan 0.000 0.530 174 K N 0.511 120.937 120.400 0.044 0.000 2.432 174 K HA 0.077 4.396 4.320 -0.001 0.000 0.196 174 K C 1.217 177.797 176.600 -0.033 0.000 1.038 174 K CA 0.577 56.846 56.287 -0.030 0.000 0.986 174 K CB -0.366 32.114 32.500 -0.033 0.000 0.782 174 K HN 0.914 nan 8.250 nan 0.000 0.485 175 T N -0.472 114.098 114.554 0.027 0.000 2.916 175 T HA 0.524 4.874 4.350 -0.001 0.000 0.292 175 T C -0.681 174.066 174.700 0.079 0.000 1.064 175 T CA -0.902 61.222 62.100 0.040 0.000 1.011 175 T CB 2.634 71.531 68.868 0.049 0.000 1.152 175 T HN 0.066 nan 8.240 nan 0.000 0.510 176 D N -0.530 119.921 120.400 0.084 0.000 2.970 176 D HA 0.241 4.881 4.640 -0.001 0.000 0.344 176 D C 0.441 176.804 176.300 0.104 0.000 1.365 176 D CA -0.644 53.420 54.000 0.106 0.000 0.910 176 D CB 0.062 40.933 40.800 0.117 0.000 1.445 176 D HN 0.385 nan 8.370 nan 0.000 0.532 177 E N -0.591 119.672 120.200 0.105 0.000 2.347 177 E HA -0.004 4.345 4.350 -0.001 0.000 0.196 177 E C 1.316 177.951 176.600 0.059 0.000 1.008 177 E CA 0.964 57.413 56.400 0.081 0.000 0.852 177 E CB -0.206 29.520 29.700 0.043 0.000 0.783 177 E HN 0.529 nan 8.360 nan 0.000 0.505 178 T N 0.566 115.161 114.554 0.068 0.000 2.809 178 T HA -0.096 4.253 4.350 -0.001 0.000 0.260 178 T C 2.129 176.918 174.700 0.148 0.000 1.039 178 T CA 1.854 64.009 62.100 0.092 0.000 1.141 178 T CB -0.241 68.677 68.868 0.083 0.000 0.869 178 T HN 0.374 nan 8.240 nan 0.000 0.437 179 T N 0.412 115.034 114.554 0.113 0.000 2.951 179 T HA -0.074 4.275 4.350 -0.001 0.000 0.268 179 T C 1.506 176.315 174.700 0.182 0.000 1.073 179 T CA 0.962 63.137 62.100 0.125 0.000 1.134 179 T CB -0.364 68.519 68.868 0.027 0.000 0.884 179 T HN 0.098 nan 8.240 nan 0.000 0.479 180 D N 1.885 122.368 120.400 0.138 0.000 2.144 180 D HA 0.122 4.761 4.640 -0.001 0.000 0.200 180 D C 2.372 178.749 176.300 0.129 0.000 0.978 180 D CA 1.305 55.380 54.000 0.124 0.000 0.833 180 D CB -0.481 40.382 40.800 0.105 0.000 0.961 180 D HN 0.574 nan 8.370 nan 0.000 0.470 181 A N -0.496 122.404 122.820 0.134 0.000 1.930 181 A HA -0.095 4.224 4.320 -0.001 0.000 0.215 181 A C 2.141 179.802 177.584 0.128 0.000 1.176 181 A CA 0.727 52.824 52.037 0.099 0.000 0.632 181 A CB -1.051 17.995 19.000 0.077 0.000 0.819 181 A HN 0.338 nan 8.150 nan 0.000 0.445 182 W N 1.202 122.527 121.300 0.042 0.000 2.355 182 W HA -0.160 4.500 4.660 -0.001 0.000 0.309 182 W C 1.362 177.912 176.519 0.052 0.000 1.206 182 W CA 1.817 59.210 57.345 0.080 0.000 1.284 182 W CB 0.128 29.651 29.460 0.105 0.000 1.145 182 W HN 0.355 nan 8.180 nan 0.000 0.502 183 D N -1.068 119.592 120.400 0.433 0.000 2.219 183 D HA -0.134 4.505 4.640 -0.001 0.000 0.205 183 D C 2.072 178.466 176.300 0.156 0.000 0.970 183 D CA 1.788 55.984 54.000 0.326 0.000 0.851 183 D CB -0.619 40.329 40.800 0.248 0.000 0.943 183 D HN 0.148 nan 8.370 nan 0.000 0.488 184 T N 0.503 115.104 114.554 0.079 0.000 2.732 184 T HA -0.065 4.284 4.350 -0.001 0.000 0.261 184 T C 2.307 176.997 174.700 -0.018 0.000 1.040 184 T CA 0.649 62.767 62.100 0.029 0.000 1.145 184 T CB -0.259 68.610 68.868 0.001 0.000 0.866 184 T HN -0.047 nan 8.240 nan 0.000 0.427 185 V N 1.887 121.697 119.914 -0.175 0.000 2.343 185 V HA -0.198 3.922 4.120 -0.001 0.000 0.247 185 V C 2.338 178.090 176.094 -0.571 0.000 1.051 185 V CA 2.084 64.163 62.300 -0.369 0.000 1.036 185 V CB -0.666 30.865 31.823 -0.486 0.000 0.654 185 V HN 0.513 nan 8.190 nan 0.000 0.451 186 D N -1.542 118.429 120.400 -0.715 0.000 2.178 186 D HA -0.256 4.383 4.640 -0.001 0.000 0.201 186 D C 1.876 178.138 176.300 -0.064 0.000 0.980 186 D CA 1.460 55.138 54.000 -0.536 0.000 0.842 186 D CB -0.169 40.503 40.800 -0.213 0.000 0.948 186 D HN 0.583 nan 8.370 nan 0.000 0.472 187 W N 0.339 121.570 121.300 -0.115 0.000 2.443 187 W HA 0.041 4.700 4.660 -0.001 0.000 0.296 187 W C 1.825 178.308 176.519 -0.059 0.000 1.202 187 W CA 0.776 58.112 57.345 -0.016 0.000 1.312 187 W CB -0.206 29.251 29.460 -0.005 0.000 1.120 187 W HN -0.034 nan 8.180 nan 0.000 0.536 188 L N 0.525 121.872 121.223 0.206 0.000 2.079 188 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 188 L C 2.401 179.167 176.870 -0.174 0.000 1.081 188 L CA 1.586 56.464 54.840 0.062 0.000 0.752 188 L CB -1.219 40.876 42.059 0.059 0.000 0.896 188 L HN 0.073 nan 8.230 nan 0.000 0.433 189 V N -4.635 115.115 119.914 -0.274 0.000 3.217 189 V HA -0.152 3.967 4.120 -0.001 0.000 0.264 189 V C 1.485 177.324 176.094 -0.425 0.000 1.135 189 V CA 1.311 63.395 62.300 -0.359 0.000 1.142 189 V CB -0.854 30.721 31.823 -0.414 0.000 0.754 189 V HN 0.491 nan 8.190 nan 0.000 0.484 190 H N -0.111 118.800 119.070 -0.265 0.000 2.874 190 H HA 0.354 4.909 4.556 -0.001 0.000 0.264 190 H C 1.190 176.270 175.328 -0.413 0.000 1.007 190 H CA 0.636 56.515 56.048 -0.283 0.000 1.207 190 H CB 0.439 30.051 29.762 -0.249 0.000 1.487 190 H HN 0.471 nan 8.280 nan 0.000 0.505 191 N N -0.192 118.195 118.700 -0.521 0.000 2.177 191 N HA 0.118 4.857 4.740 -0.001 0.000 0.218 191 N C -1.052 174.205 175.510 -0.421 0.000 1.182 191 N CA 0.073 52.708 53.050 -0.691 0.000 0.882 191 N CB 2.131 39.639 38.487 -1.632 0.000 1.052 191 N HN -0.095 nan 8.380 nan 0.000 0.519 192 V N 1.982 121.737 119.914 -0.265 0.000 2.289 192 V HA 0.277 4.396 4.120 -0.001 0.000 0.272 192 V C -1.781 174.249 176.094 -0.107 0.000 1.026 192 V CA -1.254 60.967 62.300 -0.132 0.000 0.807 192 V CB 1.548 33.328 31.823 -0.072 0.000 1.044 192 V HN -0.035 nan 8.190 nan 0.000 0.443 193 P HA -0.074 nan 4.420 nan 0.000 0.220 193 P C 1.093 178.359 177.300 -0.056 0.000 1.148 193 P CA 0.872 63.931 63.100 -0.069 0.000 0.803 193 P CB 0.443 32.110 31.700 -0.054 0.000 0.782 194 E N -0.524 119.648 120.200 -0.046 0.000 2.482 194 E HA -0.008 4.341 4.350 -0.001 0.000 0.196 194 E C 0.894 177.461 176.600 -0.055 0.000 1.047 194 E CA 0.173 56.549 56.400 -0.039 0.000 0.869 194 E CB -0.276 29.412 29.700 -0.020 0.000 0.836 194 E HN 0.262 nan 8.360 nan 0.000 0.520 195 S N 0.848 116.506 115.700 -0.070 0.000 2.672 195 S HA 0.157 4.626 4.470 -0.001 0.000 0.276 195 S C 0.732 175.273 174.600 -0.098 0.000 1.207 195 S CA -0.722 57.424 58.200 -0.090 0.000 1.002 195 S CB 0.917 64.059 63.200 -0.097 0.000 0.998 195 S HN 0.166 nan 8.310 nan 0.000 0.542 196 N N 0.179 118.812 118.700 -0.113 0.000 2.235 196 N HA 0.199 4.938 4.740 -0.001 0.000 0.209 196 N C 1.116 176.558 175.510 -0.113 0.000 1.122 196 N CA 0.375 53.361 53.050 -0.107 0.000 0.845 196 N CB -0.322 38.098 38.487 -0.111 0.000 1.004 196 N HN 1.354 nan 8.380 nan 0.000 0.499 197 G N 0.591 109.314 108.800 -0.128 0.000 2.148 197 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.254 197 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.254 197 G C -0.369 174.449 174.900 -0.138 0.000 0.981 197 G CA -0.009 45.002 45.100 -0.147 0.000 0.670 197 G HN 0.504 nan 8.290 nan 0.000 0.528 198 R N -0.264 120.157 120.500 -0.132 0.000 2.343 198 R HA 0.574 4.913 4.340 -0.001 0.000 0.320 198 R C -0.489 175.733 176.300 -0.130 0.000 0.956 198 R CA -0.697 55.327 56.100 -0.126 0.000 0.836 198 R CB 2.334 32.562 30.300 -0.121 0.000 1.151 198 R HN 0.090 nan 8.270 nan 0.000 0.450 199 V N 1.725 121.562 119.914 -0.129 0.000 2.513 199 V HA 0.643 4.762 4.120 -0.001 0.000 0.299 199 V C 0.496 176.514 176.094 -0.128 0.000 1.035 199 V CA -0.784 61.446 62.300 -0.117 0.000 0.889 199 V CB 1.981 33.728 31.823 -0.128 0.000 0.988 199 V HN 0.939 nan 8.190 nan 0.000 0.440 200 G N 3.339 112.090 108.800 -0.082 0.000 2.452 200 G HA2 0.717 4.676 3.960 -0.001 0.000 0.324 200 G HA3 0.717 4.676 3.960 -0.001 0.000 0.324 200 G C -1.081 173.849 174.900 0.050 0.000 1.214 200 G CA -0.676 44.361 45.100 -0.105 0.000 0.947 200 G HN 0.542 nan 8.290 nan 0.000 0.478 201 M N 1.437 121.090 119.600 0.089 0.000 2.383 201 M HA 0.582 5.061 4.480 -0.001 0.000 0.325 201 M C -0.241 176.181 176.300 0.203 0.000 1.092 201 M CA -0.464 54.892 55.300 0.093 0.000 0.961 201 M CB 2.635 35.243 32.600 0.013 0.000 1.672 201 M HN 0.637 nan 8.290 nan 0.000 0.438 202 T N 1.554 116.161 114.554 0.088 0.000 2.731 202 T HA 0.919 5.268 4.350 -0.001 0.000 0.300 202 T C -1.276 173.443 174.700 0.032 0.000 1.283 202 T CA 0.083 62.234 62.100 0.085 0.000 1.005 202 T CB 2.070 71.008 68.868 0.117 0.000 1.420 202 T HN 1.018 nan 8.240 nan 0.000 0.503 203 G N 0.761 109.599 108.800 0.063 0.000 2.329 203 G HA2 0.417 4.377 3.960 -0.001 0.000 0.308 203 G HA3 0.417 4.377 3.960 -0.001 0.000 0.308 203 G C -1.218 173.762 174.900 0.134 0.000 1.587 203 G CA -0.000 45.164 45.100 0.107 0.000 0.978 203 G HN 0.766 nan 8.290 nan 0.000 0.685 204 S N -0.380 115.424 115.700 0.173 0.000 2.621 204 S HA 0.874 5.343 4.470 -0.001 0.000 0.302 204 S C 1.052 175.829 174.600 0.295 0.000 1.093 204 S CA 1.162 59.463 58.200 0.168 0.000 1.017 204 S CB 1.490 64.725 63.200 0.058 0.000 1.077 204 S HN 2.319 nan 8.310 nan 0.000 0.517 205 S N 1.518 117.423 115.700 0.341 0.000 4.140 205 S HA -0.316 4.153 4.470 -0.001 0.000 0.618 205 S C 1.480 176.341 174.600 0.436 0.000 1.896 205 S CA 1.455 59.959 58.200 0.507 0.000 4.240 205 S CB -1.796 61.806 63.200 0.669 0.000 0.208 205 S HN 1.554 nan 8.310 nan 0.000 0.487 206 A N 0.716 123.815 122.820 0.465 0.000 2.066 206 A HA 0.074 4.393 4.320 -0.001 0.000 0.218 206 A C 1.677 179.455 177.584 0.322 0.000 1.157 206 A CA 1.708 53.943 52.037 0.331 0.000 0.670 206 A CB -0.571 18.516 19.000 0.146 0.000 0.804 206 A HN 0.748 nan 8.150 nan 0.000 0.453 207 E N -0.541 119.839 120.200 0.299 0.000 2.358 207 E HA -0.030 4.319 4.350 -0.001 0.000 0.195 207 E C 1.862 178.601 176.600 0.232 0.000 1.010 207 E CA 0.520 57.069 56.400 0.247 0.000 0.856 207 E CB -0.134 29.731 29.700 0.276 0.000 0.795 207 E HN 0.596 nan 8.360 nan 0.000 0.504 208 G N 0.837 109.803 108.800 0.276 0.000 2.539 208 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.215 208 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.215 208 G C 1.275 176.341 174.900 0.277 0.000 1.141 208 G CA -0.142 45.103 45.100 0.240 0.000 0.806 208 G HN 0.252 nan 8.290 nan 0.000 0.533 209 F N 3.087 123.156 119.950 0.197 0.000 2.186 209 F HA -0.100 4.426 4.527 -0.001 0.000 0.299 209 F C 2.769 178.674 175.800 0.175 0.000 1.090 209 F CA 2.158 60.279 58.000 0.203 0.000 1.307 209 F CB -0.511 38.613 39.000 0.206 0.000 1.019 209 F HN 0.148 nan 8.300 nan 0.000 0.489 210 T N -2.044 112.504 114.554 -0.010 0.000 2.915 210 T HA -0.091 4.258 4.350 -0.001 0.000 0.269 210 T C 1.935 176.585 174.700 -0.085 0.000 1.071 210 T CA 1.302 63.328 62.100 -0.125 0.000 1.132 210 T CB -1.155 67.752 68.868 0.066 0.000 0.878 210 T HN 0.175 nan 8.240 nan 0.000 0.479 211 V N 1.285 121.192 119.914 -0.012 0.000 2.323 211 V HA -0.087 4.032 4.120 -0.001 0.000 0.244 211 V C 2.916 178.999 176.094 -0.019 0.000 1.041 211 V CA 1.145 63.440 62.300 -0.009 0.000 1.025 211 V CB -0.665 31.161 31.823 0.004 0.000 0.656 211 V HN 0.377 nan 8.190 nan 0.000 0.451 212 V N -0.539 119.384 119.914 0.014 0.000 2.343 212 V HA -0.281 3.838 4.120 -0.001 0.000 0.247 212 V C 2.542 178.650 176.094 0.024 0.000 1.051 212 V CA 1.773 64.134 62.300 0.101 0.000 1.036 212 V CB -0.631 31.341 31.823 0.248 0.000 0.654 212 V HN 0.399 nan 8.190 nan 0.000 0.451 213 M N -0.077 119.440 119.600 -0.139 0.000 2.159 213 M HA -0.100 4.379 4.480 -0.001 0.000 0.263 213 M C 2.354 178.637 176.300 -0.028 0.000 1.063 213 M CA 2.137 57.346 55.300 -0.152 0.000 1.110 213 M CB -1.366 31.016 32.600 -0.364 0.000 1.374 213 M HN 0.419 nan 8.290 nan 0.000 0.411 214 A N -0.330 122.481 122.820 -0.016 0.000 2.014 214 A HA -0.050 4.269 4.320 -0.001 0.000 0.218 214 A C 2.188 179.809 177.584 0.062 0.000 1.163 214 A CA 0.886 52.946 52.037 0.039 0.000 0.652 214 A CB -0.763 18.250 19.000 0.022 0.000 0.808 214 A HN 0.471 nan 8.150 nan 0.000 0.449 215 L N -0.328 120.927 121.223 0.052 0.000 2.465 215 L HA -0.051 4.288 4.340 -0.001 0.000 0.224 215 L C 2.054 178.983 176.870 0.099 0.000 1.145 215 L CA 0.214 55.098 54.840 0.073 0.000 0.834 215 L CB -0.300 41.809 42.059 0.084 0.000 0.944 215 L HN 0.397 nan 8.230 nan 0.000 0.451 216 L N -0.972 120.310 121.223 0.098 0.000 2.141 216 L HA -0.058 4.281 4.340 -0.001 0.000 0.209 216 L C 0.378 177.308 176.870 0.099 0.000 1.094 216 L CA 0.915 55.815 54.840 0.100 0.000 0.763 216 L CB -0.040 42.073 42.059 0.090 0.000 0.908 216 L HN 0.185 nan 8.230 nan 0.000 0.437 217 D N -0.659 119.812 120.400 0.118 0.000 2.634 217 D HA 0.186 4.826 4.640 -0.001 0.000 0.236 217 D C -2.631 173.818 176.300 0.248 0.000 1.323 217 D CA -1.144 52.945 54.000 0.148 0.000 0.884 217 D CB 1.338 42.203 40.800 0.108 0.000 1.496 217 D HN -0.130 nan 8.370 nan 0.000 0.525 218 P HA 0.190 nan 4.420 nan 0.000 0.279 218 P C -0.141 177.264 177.300 0.176 0.000 1.252 218 P CA -0.362 62.845 63.100 0.178 0.000 0.811 218 P CB 0.981 32.720 31.700 0.066 0.000 1.035 219 H N 2.840 121.809 119.070 -0.169 0.000 2.652 219 H HA 0.103 4.658 4.556 -0.001 0.000 0.349 219 H C -1.462 173.712 175.328 -0.257 0.000 1.099 219 H CA -1.285 54.441 56.048 -0.537 0.000 1.417 219 H CB 0.761 29.945 29.762 -0.964 0.000 1.457 219 H HN 0.169 nan 8.280 nan 0.000 0.568 220 P HA -0.149 nan 4.420 nan 0.000 0.218 220 P C 0.833 178.060 177.300 -0.122 0.000 1.146 220 P CA 1.863 64.811 63.100 -0.253 0.000 0.820 220 P CB 0.057 31.573 31.700 -0.307 0.000 0.778 221 A N -1.352 121.487 122.820 0.032 0.000 2.167 221 A HA -0.005 4.314 4.320 -0.001 0.000 0.214 221 A C 1.080 178.626 177.584 -0.062 0.000 1.151 221 A CA 0.166 52.208 52.037 0.009 0.000 0.735 221 A CB -0.977 18.031 19.000 0.013 0.000 0.802 221 A HN 0.160 nan 8.150 nan 0.000 0.467 222 L N 0.940 122.126 121.223 -0.062 0.000 2.401 222 L HA 0.214 4.554 4.340 -0.001 0.000 0.283 222 L C 0.881 177.665 176.870 -0.144 0.000 1.151 222 L CA 0.009 54.784 54.840 -0.108 0.000 0.942 222 L CB 0.014 42.023 42.059 -0.084 0.000 1.283 222 L HN 0.068 nan 8.230 nan 0.000 0.442 223 K N 2.828 123.122 120.400 -0.177 0.000 2.228 223 K HA 0.167 4.486 4.320 -0.001 0.000 0.202 223 K C 0.222 176.590 176.600 -0.387 0.000 1.051 223 K CA 0.470 56.624 56.287 -0.222 0.000 0.960 223 K CB 0.255 32.671 32.500 -0.141 0.000 0.743 223 K HN 0.397 nan 8.250 nan 0.000 0.458 224 V N -0.564 119.094 119.914 -0.427 0.000 3.120 224 V HA 0.660 4.779 4.120 -0.001 0.000 0.303 224 V C -1.967 173.881 176.094 -0.410 0.000 1.238 224 V CA -0.814 61.148 62.300 -0.565 0.000 1.008 224 V CB 2.244 33.540 31.823 -0.877 0.000 1.064 224 V HN 0.197 nan 8.190 nan 0.000 0.434 225 A N 3.810 126.526 122.820 -0.174 0.000 2.515 225 A HA 1.019 5.338 4.320 -0.001 0.000 0.298 225 A C -0.631 177.076 177.584 0.206 0.000 1.059 225 A CA -0.123 51.934 52.037 0.033 0.000 0.698 225 A CB 2.094 21.053 19.000 -0.067 0.000 1.289 225 A HN 2.201 nan 8.150 nan 0.000 0.404 226 A N 2.515 125.487 122.820 0.254 0.000 2.855 226 A HA 0.710 5.029 4.320 -0.001 0.000 0.313 226 A C -3.166 174.378 177.584 -0.066 0.000 1.173 226 A CA -1.275 50.817 52.037 0.092 0.000 0.753 226 A CB 0.543 19.655 19.000 0.188 0.000 1.200 226 A HN 0.411 nan 8.150 nan 0.000 0.442 227 P HA 0.344 nan 4.420 nan 0.000 0.276 227 P C -0.547 176.767 177.300 0.024 0.000 1.253 227 P CA 0.346 63.398 63.100 -0.081 0.000 0.766 227 P CB 0.770 32.363 31.700 -0.178 0.000 0.845 228 E N 1.579 121.819 120.200 0.066 0.000 2.133 228 E HA 0.263 4.613 4.350 -0.001 0.000 0.274 228 E C -0.122 176.575 176.600 0.162 0.000 0.930 228 E CA -0.668 55.773 56.400 0.068 0.000 0.770 228 E CB 0.526 30.225 29.700 -0.002 0.000 1.104 228 E HN 0.282 nan 8.360 nan 0.000 0.403 229 S N 2.461 118.282 115.700 0.201 0.000 3.336 229 S HA -0.148 4.321 4.470 -0.001 0.000 0.362 229 S C -2.157 172.646 174.600 0.338 0.000 0.941 229 S CA 0.079 58.447 58.200 0.280 0.000 1.297 229 S CB -1.647 61.741 63.200 0.313 0.000 0.915 229 S HN 0.463 nan 8.310 nan 0.000 0.527 230 P HA 0.360 nan 4.420 nan 0.000 0.278 230 P C -0.187 177.317 177.300 0.340 0.000 1.258 230 P CA -0.922 62.400 63.100 0.370 0.000 0.811 230 P CB 0.602 32.553 31.700 0.419 0.000 1.063 231 M N 1.914 121.724 119.600 0.350 0.000 2.201 231 M HA 0.112 4.591 4.480 -0.001 0.000 0.345 231 M C 0.826 177.345 176.300 0.364 0.000 1.352 231 M CA -0.275 55.170 55.300 0.243 0.000 1.218 231 M CB 0.456 33.126 32.600 0.116 0.000 1.512 231 M HN 0.086 nan 8.290 nan 0.000 0.447 232 V N 0.406 120.504 119.914 0.308 0.000 2.627 232 V HA 0.098 4.217 4.120 -0.001 0.000 0.239 232 V C 0.390 176.660 176.094 0.293 0.000 1.077 232 V CA 1.078 63.582 62.300 0.339 0.000 1.103 232 V CB 0.322 32.345 31.823 0.333 0.000 0.802 232 V HN 0.724 nan 8.190 nan 0.000 0.482 233 D N -0.214 120.309 120.400 0.204 0.000 2.346 233 D HA 0.312 4.951 4.640 -0.001 0.000 0.255 233 D C 0.997 177.273 176.300 -0.041 0.000 1.276 233 D CA 0.353 54.409 54.000 0.094 0.000 0.941 233 D CB 1.478 42.219 40.800 -0.099 0.000 1.199 233 D HN 0.188 nan 8.370 nan 0.000 0.537 234 G N 1.656 110.520 108.800 0.107 0.000 2.498 234 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.219 234 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.219 234 G C 1.122 176.016 174.900 -0.011 0.000 1.119 234 G CA 0.276 45.361 45.100 -0.025 0.000 0.766 234 G HN 0.514 nan 8.290 nan 0.000 0.552 235 W N -0.048 121.069 121.300 -0.306 0.000 2.678 235 W HA 0.232 4.892 4.660 -0.001 0.000 0.282 235 W C 2.523 178.626 176.519 -0.693 0.000 1.137 235 W CA 0.330 57.366 57.345 -0.515 0.000 1.515 235 W CB 0.133 29.156 29.460 -0.728 0.000 1.101 235 W HN -0.040 nan 8.180 nan 0.000 0.564 236 M N -0.182 119.012 119.600 -0.676 0.000 2.065 236 M HA 0.010 4.489 4.480 -0.001 0.000 0.259 236 M C 1.482 176.793 176.300 -1.649 0.000 1.069 236 M CA 2.128 56.557 55.300 -1.452 0.000 1.110 236 M CB -1.515 29.807 32.600 -2.130 0.000 1.328 236 M HN 0.291 nan 8.290 nan 0.000 0.405 237 G N -1.285 106.744 108.800 -1.286 0.000 5.371 237 G HA2 0.125 4.084 3.960 -0.001 0.000 0.208 237 G HA3 0.125 4.084 3.960 -0.001 0.000 0.208 237 G C -0.234 174.402 174.900 -0.439 0.000 0.815 237 G CA -0.382 44.144 45.100 -0.956 0.000 0.735 237 G HN 0.201 nan 8.290 nan 0.000 0.284 238 D N -0.004 120.242 120.400 -0.258 0.000 2.976 238 D HA 0.160 4.799 4.640 -0.001 0.000 0.239 238 D C 1.068 177.267 176.300 -0.169 0.000 1.198 238 D CA -0.245 53.688 54.000 -0.112 0.000 1.171 238 D CB 0.609 41.341 40.800 -0.113 0.000 1.012 238 D HN -0.115 nan 8.370 nan 0.000 0.318 239 D N -0.538 119.566 120.400 -0.494 0.000 2.137 239 D HA -0.045 4.594 4.640 -0.001 0.000 0.202 239 D C 2.184 178.091 176.300 -0.655 0.000 0.970 239 D CA 0.848 54.373 54.000 -0.791 0.000 0.837 239 D CB 0.139 40.101 40.800 -1.397 0.000 0.981 239 D HN 0.385 nan 8.370 nan 0.000 0.475 240 W N -0.333 120.898 121.300 -0.115 0.000 2.526 240 W HA 0.148 4.807 4.660 -0.001 0.000 0.294 240 W C 0.689 176.840 176.519 -0.614 0.000 1.181 240 W CA -0.527 56.645 57.345 -0.289 0.000 1.373 240 W CB -0.105 29.384 29.460 0.048 0.000 1.112 240 W HN -0.233 nan 8.180 nan 0.000 0.545 241 F N -1.207 118.683 119.950 -0.100 0.000 2.640 241 F HA 0.469 4.996 4.527 -0.001 0.000 0.324 241 F C -0.250 175.414 175.800 -0.226 0.000 1.077 241 F CA -1.351 56.480 58.000 -0.281 0.000 0.965 241 F CB 1.305 39.797 39.000 -0.847 0.000 1.351 241 F HN -0.281 nan 8.300 nan 0.000 0.487 242 H N 1.128 120.063 119.070 -0.224 0.000 3.177 242 H HA 0.183 4.738 4.556 -0.001 0.000 0.314 242 H C -1.208 173.888 175.328 -0.388 0.000 1.059 242 H CA -0.727 55.151 56.048 -0.284 0.000 1.515 242 H CB 0.769 30.559 29.762 0.047 0.000 1.672 242 H HN 0.695 nan 8.280 nan 0.000 0.514 243 Y N 1.623 121.545 120.300 -0.630 0.000 3.825 243 Y HA -0.311 4.239 4.550 -0.001 0.000 0.221 243 Y C 1.544 176.905 175.900 -0.897 0.000 1.195 243 Y CA 1.705 59.372 58.100 -0.721 0.000 1.699 243 Y CB -1.668 36.537 38.460 -0.425 0.000 1.531 243 Y HN 1.083 nan 8.280 nan 0.000 0.640 244 G N -2.112 105.877 108.800 -1.352 0.000 2.234 244 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.235 244 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.235 244 G C 0.341 175.172 174.900 -0.116 0.000 0.997 244 G CA -0.174 44.302 45.100 -1.040 0.000 0.623 244 G HN 1.543 nan 8.290 nan 0.000 0.514 245 A N 0.644 123.440 122.820 -0.040 0.000 2.350 245 A HA 0.634 4.953 4.320 -0.001 0.000 0.293 245 A C -0.004 177.763 177.584 0.306 0.000 1.231 245 A CA -0.312 51.814 52.037 0.148 0.000 0.883 245 A CB 0.011 18.993 19.000 -0.031 0.000 1.133 245 A HN 1.327 nan 8.150 nan 0.000 0.533 246 F N 2.983 122.996 119.950 0.105 0.000 2.538 246 F HA 0.286 4.812 4.527 -0.001 0.000 0.371 246 F C 0.795 176.432 175.800 -0.272 0.000 1.087 246 F CA 0.037 57.878 58.000 -0.264 0.000 1.250 246 F CB 0.569 39.477 39.000 -0.154 0.000 1.110 246 F HN 0.566 nan 8.300 nan 0.000 0.570 247 R N 5.925 125.581 120.500 -1.407 0.000 2.235 247 R HA 0.114 4.453 4.340 -0.001 0.000 0.338 247 R C 0.985 176.136 176.300 -1.916 0.000 1.087 247 R CA -0.199 55.039 56.100 -1.438 0.000 0.948 247 R CB 0.531 30.198 30.300 -1.056 0.000 1.099 247 R HN 0.780 nan 8.270 nan 0.000 0.483 248 Q N 1.075 119.957 119.800 -1.532 0.000 2.515 248 Q HA -0.117 4.222 4.340 -0.001 0.000 0.215 248 Q C 1.588 176.650 176.000 -1.562 0.000 0.983 248 Q CA 1.184 56.171 55.803 -1.361 0.000 0.905 248 Q CB 0.208 28.256 28.738 -1.149 0.000 0.961 248 Q HN 0.827 nan 8.270 nan 0.000 0.503 249 G N 0.020 107.749 108.800 -1.785 0.000 2.813 249 G HA2 0.056 4.015 3.960 -0.001 0.000 0.209 249 G HA3 0.056 4.015 3.960 -0.001 0.000 0.209 249 G C 1.308 175.527 174.900 -1.137 0.000 1.150 249 G CA 0.484 44.377 45.100 -2.011 0.000 0.785 249 G HN 0.363 nan 8.290 nan 0.000 0.535 250 A N 0.701 122.871 122.820 -1.084 0.000 1.969 250 A HA 0.157 4.477 4.320 -0.001 0.000 0.218 250 A C 1.950 178.858 177.584 -1.126 0.000 1.169 250 A CA 0.838 52.318 52.037 -0.927 0.000 0.635 250 A CB -0.434 18.055 19.000 -0.852 0.000 0.810 250 A HN 0.239 nan 8.150 nan 0.000 0.445 251 F N 0.830 120.352 119.950 -0.714 0.000 2.095 251 F HA -0.176 4.350 4.527 -0.001 0.000 0.298 251 F C 2.164 177.809 175.800 -0.258 0.000 1.104 251 F CA 1.289 59.025 58.000 -0.441 0.000 1.232 251 F CB -0.782 38.148 39.000 -0.117 0.000 0.987 251 F HN 0.239 nan 8.300 nan 0.000 0.475 252 D N -1.323 119.046 120.400 -0.052 0.000 2.117 252 D HA -0.231 4.408 4.640 -0.001 0.000 0.197 252 D C 2.157 178.471 176.300 0.024 0.000 0.987 252 D CA 1.166 55.158 54.000 -0.014 0.000 0.829 252 D CB -0.555 40.205 40.800 -0.066 0.000 0.961 252 D HN 0.317 nan 8.370 nan 0.000 0.460 253 Y N 0.556 120.778 120.300 -0.130 0.000 2.200 253 Y HA -0.234 4.315 4.550 -0.001 0.000 0.290 253 Y C 2.068 178.099 175.900 0.217 0.000 1.137 253 Y CA 1.271 59.390 58.100 0.033 0.000 1.163 253 Y CB -0.245 38.242 38.460 0.045 0.000 0.988 253 Y HN -0.166 nan 8.280 nan 0.000 0.518 254 F N -0.788 119.269 119.950 0.178 0.000 2.102 254 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 254 F C 2.462 178.217 175.800 -0.076 0.000 1.105 254 F CA 1.277 59.322 58.000 0.074 0.000 1.239 254 F CB -1.437 37.595 39.000 0.054 0.000 0.991 254 F HN -0.109 nan 8.300 nan 0.000 0.474 255 V N -0.577 119.360 119.914 0.039 0.000 2.548 255 V HA -0.203 3.916 4.120 -0.001 0.000 0.249 255 V C 2.474 178.602 176.094 0.056 0.000 1.055 255 V CA 1.720 63.989 62.300 -0.052 0.000 1.065 255 V CB -0.961 30.801 31.823 -0.100 0.000 0.681 255 V HN 0.458 nan 8.190 nan 0.000 0.462 256 S N -0.899 114.815 115.700 0.024 0.000 2.436 256 S HA -0.151 4.319 4.470 -0.001 0.000 0.228 256 S C 1.876 176.468 174.600 -0.015 0.000 1.014 256 S CA 1.050 59.251 58.200 0.003 0.000 0.950 256 S CB -0.077 63.114 63.200 -0.015 0.000 0.784 256 S HN 0.613 nan 8.310 nan 0.000 0.504 257 Q N -0.456 119.320 119.800 -0.039 0.000 2.392 257 Q HA 0.329 4.668 4.340 -0.001 0.000 0.219 257 Q C 0.993 177.046 176.000 0.088 0.000 0.895 257 Q CA 0.493 56.279 55.803 -0.028 0.000 0.929 257 Q CB 0.295 28.955 28.738 -0.130 0.000 1.077 257 Q HN 0.619 nan 8.270 nan 0.000 0.532 258 M N -0.538 119.182 119.600 0.201 0.000 2.496 258 M HA 0.144 4.623 4.480 -0.001 0.000 0.330 258 M C 0.965 177.456 176.300 0.319 0.000 1.133 258 M CA 0.058 55.539 55.300 0.301 0.000 0.964 258 M CB 0.790 33.622 32.600 0.388 0.000 1.401 258 M HN -0.126 nan 8.290 nan 0.000 0.520 259 T N 0.841 115.541 114.554 0.242 0.000 2.851 259 T HA 0.240 4.590 4.350 -0.001 0.000 0.262 259 T C 0.821 175.542 174.700 0.035 0.000 1.043 259 T CA 1.039 63.249 62.100 0.184 0.000 1.140 259 T CB 0.225 69.188 68.868 0.159 0.000 0.872 259 T HN 0.495 nan 8.240 nan 0.000 0.446 260 A N -0.201 122.611 122.820 -0.013 0.000 2.567 260 A HA 0.709 5.028 4.320 -0.001 0.000 0.289 260 A C 0.855 178.353 177.584 -0.144 0.000 1.177 260 A CA -0.662 51.332 52.037 -0.072 0.000 0.694 260 A CB 0.828 19.777 19.000 -0.084 0.000 1.292 260 A HN 0.058 nan 8.150 nan 0.000 0.425 261 R N -0.364 120.039 120.500 -0.162 0.000 2.083 261 R HA -0.071 4.268 4.340 -0.001 0.000 0.237 261 R C 1.352 177.367 176.300 -0.475 0.000 1.137 261 R CA 2.185 58.149 56.100 -0.227 0.000 0.951 261 R CB -0.468 29.744 30.300 -0.147 0.000 0.851 261 R HN 0.864 nan 8.270 nan 0.000 0.434 262 G N -1.013 107.484 108.800 -0.504 0.000 2.928 262 G HA2 0.318 4.278 3.960 -0.001 0.000 0.163 262 G HA3 0.318 4.278 3.960 -0.001 0.000 0.163 262 G C -0.333 174.063 174.900 -0.841 0.000 1.573 262 G CA -0.143 44.409 45.100 -0.913 0.000 1.084 262 G HN 0.423 nan 8.290 nan 0.000 0.569 263 G N -1.202 107.376 108.800 -0.370 0.000 2.483 263 G HA2 0.520 4.479 3.960 -0.001 0.000 0.248 263 G HA3 0.520 4.479 3.960 -0.001 0.000 0.248 263 G C 0.027 174.891 174.900 -0.059 0.000 1.248 263 G CA 0.523 45.584 45.100 -0.064 0.000 0.838 263 G HN 0.844 nan 8.290 nan 0.000 0.566 264 G N 0.256 109.050 108.800 -0.010 0.000 2.630 264 G HA2 0.539 4.498 3.960 -0.001 0.000 0.296 264 G HA3 0.539 4.498 3.960 -0.001 0.000 0.296 264 G C -0.710 174.205 174.900 0.025 0.000 1.285 264 G CA -0.798 44.307 45.100 0.008 0.000 0.958 264 G HN 0.562 nan 8.290 nan 0.000 0.479 265 N N -0.319 118.399 118.700 0.029 0.000 2.477 265 N HA 0.324 5.063 4.740 -0.001 0.000 0.284 265 N C -0.885 174.638 175.510 0.022 0.000 1.182 265 N CA -0.435 52.630 53.050 0.023 0.000 0.949 265 N CB 1.980 40.477 38.487 0.017 0.000 1.204 265 N HN 0.396 nan 8.380 nan 0.000 0.526 266 D N 0.204 120.613 120.400 0.016 0.000 2.377 266 D HA 0.304 4.944 4.640 -0.001 0.000 0.245 266 D C 0.052 176.356 176.300 0.006 0.000 1.196 266 D CA -0.068 53.941 54.000 0.014 0.000 0.962 266 D CB 0.849 41.658 40.800 0.015 0.000 1.127 266 D HN 0.291 nan 8.370 nan 0.000 0.471 267 I N 2.511 123.087 120.570 0.010 0.000 2.396 267 I HA 0.154 4.323 4.170 -0.001 0.000 0.289 267 I C -1.863 174.245 176.117 -0.015 0.000 1.056 267 I CA -1.631 59.659 61.300 -0.016 0.000 1.365 267 I CB 0.757 38.753 38.000 -0.006 0.000 1.407 267 I HN 0.122 nan 8.210 nan 0.000 0.509 268 P HA 0.106 nan 4.420 nan 0.000 0.264 268 P C -0.694 176.578 177.300 -0.047 0.000 1.193 268 P CA -0.080 62.996 63.100 -0.039 0.000 0.763 268 P CB 0.428 32.097 31.700 -0.051 0.000 0.810 269 R N 2.575 123.062 120.500 -0.021 0.000 2.643 269 R HA 0.363 4.702 4.340 -0.001 0.000 0.272 269 R C 1.092 177.380 176.300 -0.020 0.000 0.995 269 R CA -0.805 55.289 56.100 -0.010 0.000 1.032 269 R CB 1.166 31.477 30.300 0.020 0.000 1.126 269 R HN 0.366 nan 8.270 nan 0.000 0.505 270 R N 0.344 120.834 120.500 -0.016 0.000 2.064 270 R HA 0.079 4.418 4.340 -0.001 0.000 0.221 270 R C 0.136 176.436 176.300 0.000 0.000 1.136 270 R CA 1.321 57.412 56.100 -0.015 0.000 0.980 270 R CB 0.095 30.383 30.300 -0.019 0.000 0.876 270 R HN 0.619 nan 8.270 nan 0.000 0.437 271 D N -1.416 118.993 120.400 0.015 0.000 2.272 271 D HA 0.291 4.930 4.640 -0.001 0.000 0.247 271 D C -0.050 176.260 176.300 0.016 0.000 0.990 271 D CA 0.196 54.210 54.000 0.023 0.000 0.931 271 D CB 2.168 42.996 40.800 0.046 0.000 1.195 271 D HN 0.273 nan 8.370 nan 0.000 0.477 272 A N 1.814 124.639 122.820 0.009 0.000 2.067 272 A HA -0.040 4.279 4.320 -0.001 0.000 0.217 272 A C 0.737 178.311 177.584 -0.018 0.000 1.156 272 A CA 0.745 52.776 52.037 -0.010 0.000 0.683 272 A CB 0.099 19.092 19.000 -0.011 0.000 0.808 272 A HN 0.475 nan 8.150 nan 0.000 0.455 273 D N -0.425 119.986 120.400 0.020 0.000 2.280 273 D HA 0.295 4.934 4.640 -0.001 0.000 0.236 273 D C -0.184 176.170 176.300 0.090 0.000 1.082 273 D CA -0.448 53.579 54.000 0.046 0.000 0.834 273 D CB 0.910 41.766 40.800 0.093 0.000 1.100 273 D HN -0.009 nan 8.370 nan 0.000 0.486 274 D N 2.323 122.747 120.400 0.041 0.000 2.312 274 D HA -0.148 4.491 4.640 -0.001 0.000 0.211 274 D C 1.260 177.711 176.300 0.252 0.000 0.964 274 D CA 0.513 54.593 54.000 0.134 0.000 0.877 274 D CB 0.010 40.803 40.800 -0.010 0.000 0.924 274 D HN 0.564 nan 8.370 nan 0.000 0.515 275 Y N 1.250 121.624 120.300 0.123 0.000 2.200 275 Y HA -0.205 4.344 4.550 -0.001 0.000 0.290 275 Y C 2.227 178.330 175.900 0.339 0.000 1.137 275 Y CA 1.659 59.907 58.100 0.247 0.000 1.163 275 Y CB -0.250 38.348 38.460 0.230 0.000 0.988 275 Y HN -0.126 nan 8.280 nan 0.000 0.518 276 T N 0.680 115.487 114.554 0.422 0.000 2.770 276 T HA -0.151 4.198 4.350 -0.001 0.000 0.263 276 T C 1.649 176.468 174.700 0.198 0.000 1.039 276 T CA 1.336 63.607 62.100 0.285 0.000 1.142 276 T CB -0.330 68.662 68.868 0.207 0.000 0.868 276 T HN 0.349 nan 8.240 nan 0.000 0.435 277 N N 0.984 119.788 118.700 0.173 0.000 2.061 277 N HA -0.055 4.685 4.740 -0.001 0.000 0.193 277 N C 1.583 177.133 175.510 0.067 0.000 1.030 277 N CA 1.326 54.434 53.050 0.097 0.000 0.856 277 N CB -0.562 37.957 38.487 0.054 0.000 1.023 277 N HN 0.362 nan 8.380 nan 0.000 0.424 278 F N 0.405 120.402 119.950 0.079 0.000 2.259 278 F HA 0.005 4.531 4.527 -0.001 0.000 0.298 278 F C 2.108 178.063 175.800 0.259 0.000 1.088 278 F CA 0.156 58.201 58.000 0.076 0.000 1.358 278 F CB -0.235 38.645 39.000 -0.201 0.000 1.040 278 F HN -0.006 nan 8.300 nan 0.000 0.505 279 L N 0.350 121.822 121.223 0.415 0.000 2.109 279 L HA -0.096 4.244 4.340 -0.001 0.000 0.207 279 L C 2.070 178.957 176.870 0.029 0.000 1.086 279 L CA 1.808 56.715 54.840 0.112 0.000 0.760 279 L CB -0.662 41.345 42.059 -0.088 0.000 0.910 279 L HN -0.052 nan 8.230 nan 0.000 0.437 280 K N -0.988 119.457 120.400 0.073 0.000 2.155 280 K HA 0.009 4.328 4.320 -0.001 0.000 0.203 280 K C 2.014 178.641 176.600 0.045 0.000 1.052 280 K CA 0.969 57.279 56.287 0.038 0.000 0.948 280 K CB -0.154 32.373 32.500 0.045 0.000 0.728 280 K HN 0.419 nan 8.250 nan 0.000 0.448 281 A N 0.550 123.426 122.820 0.094 0.000 2.015 281 A HA 0.047 4.366 4.320 -0.001 0.000 0.219 281 A C 1.479 179.134 177.584 0.118 0.000 1.163 281 A CA 1.853 53.957 52.037 0.111 0.000 0.646 281 A CB -0.492 18.631 19.000 0.205 0.000 0.806 281 A HN 0.478 nan 8.150 nan 0.000 0.448 282 G N -1.128 107.732 108.800 0.101 0.000 3.597 282 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.256 282 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.256 282 G C 0.677 175.671 174.900 0.157 0.000 1.792 282 G CA 0.745 45.869 45.100 0.040 0.000 1.219 282 G HN 1.774 nan 8.290 nan 0.000 0.577 283 S N 1.118 116.999 115.700 0.302 0.000 2.713 283 S HA 0.795 5.265 4.470 -0.001 0.000 0.283 283 S C 1.557 176.450 174.600 0.488 0.000 1.161 283 S CA 0.549 59.012 58.200 0.438 0.000 0.999 283 S CB 1.741 65.204 63.200 0.439 0.000 1.039 283 S HN 2.116 nan 8.310 nan 0.000 0.548 284 A N 1.351 124.528 122.820 0.595 0.000 1.902 284 A HA 0.142 4.461 4.320 -0.001 0.000 0.217 284 A C 2.121 180.085 177.584 0.633 0.000 1.181 284 A CA 1.717 54.207 52.037 0.756 0.000 0.623 284 A CB -1.773 17.752 19.000 0.875 0.000 0.818 284 A HN 1.175 nan 8.150 nan 0.000 0.443 285 G N -1.371 107.808 108.800 0.631 0.000 2.422 285 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.218 285 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.218 285 G C 1.828 176.902 174.900 0.289 0.000 1.140 285 G CA 1.274 46.709 45.100 0.558 0.000 0.775 285 G HN 0.505 nan 8.290 nan 0.000 0.545 286 S N -0.582 115.278 115.700 0.268 0.000 2.406 286 S HA -0.027 4.442 4.470 -0.001 0.000 0.228 286 S C 1.906 176.536 174.600 0.050 0.000 1.020 286 S CA 0.832 59.123 58.200 0.151 0.000 0.965 286 S CB -0.309 62.995 63.200 0.174 0.000 0.798 286 S HN 0.403 nan 8.310 nan 0.000 0.488 287 F N 2.133 122.032 119.950 -0.084 0.000 2.163 287 F HA 0.078 4.604 4.527 -0.001 0.000 0.297 287 F C 2.221 177.731 175.800 -0.483 0.000 1.094 287 F CA 1.148 58.984 58.000 -0.272 0.000 1.290 287 F CB -0.634 38.206 39.000 -0.266 0.000 1.017 287 F HN 0.231 nan 8.300 nan 0.000 0.483 288 A N -0.444 122.052 122.820 -0.539 0.000 1.902 288 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 288 A C 2.167 179.486 177.584 -0.442 0.000 1.181 288 A CA 2.302 53.818 52.037 -0.869 0.000 0.623 288 A CB -1.420 16.872 19.000 -1.179 0.000 0.818 288 A HN 0.431 nan 8.150 nan 0.000 0.443 289 T N -0.302 114.123 114.554 -0.216 0.000 2.777 289 T HA -0.152 4.197 4.350 -0.001 0.000 0.266 289 T C 2.045 176.633 174.700 -0.188 0.000 1.040 289 T CA 1.702 63.730 62.100 -0.120 0.000 1.141 289 T CB -0.214 68.631 68.868 -0.038 0.000 0.868 289 T HN 0.608 nan 8.240 nan 0.000 0.444 290 Q N 0.148 119.785 119.800 -0.272 0.000 2.224 290 Q HA 0.104 4.443 4.340 -0.001 0.000 0.203 290 Q C 2.368 178.135 176.000 -0.387 0.000 0.970 290 Q CA 1.061 56.680 55.803 -0.307 0.000 0.865 290 Q CB -0.109 28.418 28.738 -0.353 0.000 0.922 290 Q HN 0.525 nan 8.270 nan 0.000 0.445 291 A N -0.489 122.019 122.820 -0.521 0.000 2.178 291 A HA 0.274 4.593 4.320 -0.001 0.000 0.211 291 A C 1.399 178.834 177.584 -0.249 0.000 1.157 291 A CA 0.797 52.549 52.037 -0.475 0.000 0.780 291 A CB -0.081 18.527 19.000 -0.654 0.000 0.828 291 A HN 0.415 nan 8.150 nan 0.000 0.476 292 G N -1.267 107.422 108.800 -0.185 0.000 2.142 292 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.225 292 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.225 292 G C 0.522 175.471 174.900 0.082 0.000 1.015 292 G CA 0.369 45.444 45.100 -0.041 0.000 0.716 292 G HN 0.406 nan 8.290 nan 0.000 0.508 293 L N -0.214 120.988 121.223 -0.034 0.000 2.492 293 L HA 0.169 4.508 4.340 -0.001 0.000 0.223 293 L C 2.083 179.160 176.870 0.344 0.000 1.132 293 L CA 0.689 55.562 54.840 0.055 0.000 0.850 293 L CB 0.031 41.853 42.059 -0.394 0.000 0.966 293 L HN 0.092 nan 8.230 nan 0.000 0.454 294 D N 0.079 120.621 120.400 0.238 0.000 2.309 294 D HA -0.206 4.434 4.640 -0.001 0.000 0.212 294 D C 1.996 178.385 176.300 0.148 0.000 0.968 294 D CA 0.867 54.998 54.000 0.218 0.000 0.882 294 D CB 0.100 40.941 40.800 0.068 0.000 0.918 294 D HN 0.563 nan 8.370 nan 0.000 0.503 295 Q N -0.775 119.123 119.800 0.163 0.000 2.392 295 Q HA -0.054 4.285 4.340 -0.001 0.000 0.203 295 Q C -0.220 175.786 176.000 0.009 0.000 0.917 295 Q CA 0.015 55.841 55.803 0.039 0.000 0.939 295 Q CB -0.080 28.635 28.738 -0.039 0.000 1.063 295 Q HN 0.188 nan 8.270 nan 0.000 0.516 296 Y N 2.067 122.415 120.300 0.080 0.000 2.404 296 Y HA 0.229 4.779 4.550 -0.001 0.000 0.344 296 Y C -1.574 174.369 175.900 0.071 0.000 0.995 296 Y CA -2.406 55.750 58.100 0.092 0.000 1.201 296 Y CB 1.261 39.807 38.460 0.144 0.000 1.151 296 Y HN 0.057 nan 8.280 nan 0.000 0.517 297 P HA -0.260 nan 4.420 nan 0.000 0.216 297 P C 1.622 178.956 177.300 0.056 0.000 1.150 297 P CA 1.436 64.569 63.100 0.054 0.000 0.843 297 P CB 0.037 31.759 31.700 0.037 0.000 0.787 298 F N -1.019 118.902 119.950 -0.049 0.000 2.186 298 F HA -0.115 4.411 4.527 -0.001 0.000 0.299 298 F C 2.235 177.934 175.800 -0.168 0.000 1.090 298 F CA 1.103 59.008 58.000 -0.158 0.000 1.307 298 F CB -0.776 38.050 39.000 -0.289 0.000 1.019 298 F HN 0.005 nan 8.300 nan 0.000 0.489 299 W N 1.171 122.284 121.300 -0.311 0.000 2.388 299 W HA -0.200 4.460 4.660 -0.001 0.000 0.294 299 W C 1.915 178.300 176.519 -0.224 0.000 1.212 299 W CA 1.331 58.510 57.345 -0.277 0.000 1.271 299 W CB -0.382 29.068 29.460 -0.016 0.000 1.126 299 W HN 0.134 nan 8.180 nan 0.000 0.535 300 Q N 0.271 119.844 119.800 -0.378 0.000 2.135 300 Q HA -0.212 4.127 4.340 -0.001 0.000 0.204 300 Q C 2.355 178.060 176.000 -0.492 0.000 0.981 300 Q CA 1.900 57.417 55.803 -0.478 0.000 0.856 300 Q CB -0.250 28.336 28.738 -0.254 0.000 0.902 300 Q HN 0.304 nan 8.270 nan 0.000 0.425 301 R N -0.058 120.154 120.500 -0.481 0.000 2.073 301 R HA -0.040 4.299 4.340 -0.001 0.000 0.229 301 R C 2.258 178.179 176.300 -0.632 0.000 1.120 301 R CA 1.242 56.986 56.100 -0.594 0.000 0.967 301 R CB -0.294 29.615 30.300 -0.652 0.000 0.862 301 R HN 0.326 nan 8.270 nan 0.000 0.436 302 M N 0.255 119.514 119.600 -0.568 0.000 2.132 302 M HA -0.188 4.291 4.480 -0.001 0.000 0.263 302 M C 2.389 178.564 176.300 -0.209 0.000 1.065 302 M CA 1.677 56.889 55.300 -0.147 0.000 1.122 302 M CB -0.298 32.304 32.600 0.003 0.000 1.365 302 M HN 0.179 nan 8.290 nan 0.000 0.411 303 H N 0.105 118.624 119.070 -0.918 0.000 2.422 303 H HA -0.077 4.479 4.556 -0.001 0.000 0.298 303 H C 1.556 176.629 175.328 -0.425 0.000 1.098 303 H CA 1.840 57.276 56.048 -1.021 0.000 1.315 303 H CB 0.122 28.987 29.762 -1.494 0.000 1.382 303 H HN 0.541 nan 8.280 nan 0.000 0.523 304 A N 0.175 122.767 122.820 -0.379 0.000 2.169 304 A HA -0.020 4.299 4.320 -0.001 0.000 0.212 304 A C 0.316 177.532 177.584 -0.613 0.000 1.153 304 A CA 0.266 52.023 52.037 -0.466 0.000 0.756 304 A CB -0.014 18.645 19.000 -0.568 0.000 0.813 304 A HN 0.453 nan 8.150 nan 0.000 0.471 305 H N -0.536 118.472 119.070 -0.103 0.000 2.348 305 H HA 0.194 4.749 4.556 -0.001 0.000 0.232 305 H C -2.170 173.414 175.328 0.427 0.000 1.419 305 H CA -1.381 54.713 56.048 0.077 0.000 1.416 305 H CB 0.799 30.485 29.762 -0.127 0.000 1.510 305 H HN 0.329 nan 8.280 nan 0.000 0.507 306 P HA 0.010 nan 4.420 nan 0.000 0.222 306 P C 0.767 178.327 177.300 0.434 0.000 1.153 306 P CA 0.487 63.856 63.100 0.448 0.000 0.798 306 P CB 0.742 32.611 31.700 0.283 0.000 0.796 307 A N -0.564 122.468 122.820 0.354 0.000 2.256 307 A HA 0.304 4.623 4.320 -0.001 0.000 0.318 307 A C -0.565 176.803 177.584 -0.360 0.000 1.103 307 A CA -0.538 51.596 52.037 0.161 0.000 0.860 307 A CB -0.206 18.978 19.000 0.307 0.000 1.182 307 A HN 0.001 nan 8.150 nan 0.000 0.501 308 Y N 2.114 121.688 120.300 -1.210 0.000 2.889 308 Y HA 0.157 4.706 4.550 -0.001 0.000 0.367 308 Y C 0.266 175.925 175.900 -0.401 0.000 1.197 308 Y CA -0.966 56.377 58.100 -1.262 0.000 1.993 308 Y CB -1.131 36.389 38.460 -1.567 0.000 2.112 308 Y HN 0.768 nan 8.280 nan 0.000 0.413 309 D N -0.426 119.836 120.400 -0.230 0.000 2.496 309 D HA 0.267 4.906 4.640 -0.001 0.000 0.283 309 D C 1.618 177.763 176.300 -0.258 0.000 1.214 309 D CA 0.078 53.981 54.000 -0.161 0.000 1.089 309 D CB -0.053 40.752 40.800 0.008 0.000 1.141 309 D HN 0.158 nan 8.370 nan 0.000 0.580 310 A N -0.859 121.854 122.820 -0.177 0.000 1.948 310 A HA -0.181 4.139 4.320 -0.001 0.000 0.220 310 A C 2.010 179.438 177.584 -0.259 0.000 1.177 310 A CA 1.673 53.595 52.037 -0.192 0.000 0.636 310 A CB -1.299 17.632 19.000 -0.115 0.000 0.815 310 A HN 0.547 nan 8.150 nan 0.000 0.449 311 F N -1.220 118.399 119.950 -0.551 0.000 2.134 311 F HA -0.144 4.382 4.527 -0.001 0.000 0.299 311 F C 1.851 177.269 175.800 -0.637 0.000 1.097 311 F CA 1.714 59.255 58.000 -0.766 0.000 1.264 311 F CB -0.321 37.815 39.000 -1.441 0.000 1.001 311 F HN 0.411 nan 8.300 nan 0.000 0.479 312 W N -0.053 121.054 121.300 -0.322 0.000 2.576 312 W HA 0.066 4.726 4.660 -0.001 0.000 0.275 312 W C 2.449 178.712 176.519 -0.427 0.000 1.241 312 W CA 0.307 57.468 57.345 -0.307 0.000 1.328 312 W CB -0.510 28.848 29.460 -0.171 0.000 1.092 312 W HN -0.063 nan 8.180 nan 0.000 0.586 313 Q N -0.075 119.445 119.800 -0.466 0.000 2.167 313 Q HA -0.074 4.265 4.340 -0.001 0.000 0.202 313 Q C 2.348 178.243 176.000 -0.175 0.000 0.970 313 Q CA 1.415 56.950 55.803 -0.447 0.000 0.855 313 Q CB -0.552 27.912 28.738 -0.458 0.000 0.911 313 Q HN 0.354 nan 8.270 nan 0.000 0.438 314 G N -0.288 108.397 108.800 -0.191 0.000 2.848 314 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.208 314 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.208 314 G C 0.924 175.771 174.900 -0.088 0.000 1.152 314 G CA 0.037 45.057 45.100 -0.133 0.000 0.789 314 G HN 0.249 nan 8.290 nan 0.000 0.531 315 Q N -0.604 119.160 119.800 -0.060 0.000 2.189 315 Q HA 0.347 4.686 4.340 -0.001 0.000 0.223 315 Q C 0.857 176.972 176.000 0.191 0.000 0.828 315 Q CA -0.370 55.467 55.803 0.055 0.000 0.967 315 Q CB 1.112 29.855 28.738 0.008 0.000 1.139 315 Q HN 0.315 nan 8.270 nan 0.000 0.497 316 A N 1.349 124.273 122.820 0.173 0.000 2.666 316 A HA 0.151 4.470 4.320 -0.001 0.000 0.301 316 A C 0.949 178.659 177.584 0.209 0.000 1.470 316 A CA -0.036 52.138 52.037 0.229 0.000 1.159 316 A CB -0.321 18.829 19.000 0.249 0.000 1.116 316 A HN 0.398 nan 8.150 nan 0.000 0.548 317 L N 1.200 122.569 121.223 0.242 0.000 2.265 317 L HA -0.174 4.166 4.340 -0.001 0.000 0.215 317 L C 2.066 179.056 176.870 0.201 0.000 1.117 317 L CA 1.337 56.314 54.840 0.229 0.000 0.782 317 L CB -0.480 41.746 42.059 0.278 0.000 0.914 317 L HN 0.803 nan 8.230 nan 0.000 0.441 318 D N 0.205 120.725 120.400 0.200 0.000 2.149 318 D HA -0.193 4.446 4.640 -0.001 0.000 0.201 318 D C 1.903 178.279 176.300 0.126 0.000 0.972 318 D CA 1.098 55.183 54.000 0.143 0.000 0.835 318 D CB -0.061 40.841 40.800 0.169 0.000 0.966 318 D HN 0.164 nan 8.370 nan 0.000 0.476 319 K N 0.174 120.664 120.400 0.150 0.000 2.116 319 K HA 0.200 4.520 4.320 -0.001 0.000 0.203 319 K C 2.311 178.973 176.600 0.103 0.000 1.052 319 K CA 0.297 56.658 56.287 0.123 0.000 0.952 319 K CB -0.065 32.517 32.500 0.135 0.000 0.729 319 K HN 0.148 nan 8.250 nan 0.000 0.446 320 I N 0.260 120.897 120.570 0.112 0.000 2.202 320 I HA -0.240 3.929 4.170 -0.001 0.000 0.242 320 I C 1.994 178.173 176.117 0.104 0.000 1.091 320 I CA 0.679 62.038 61.300 0.099 0.000 1.368 320 I CB -0.168 37.894 38.000 0.102 0.000 1.058 320 I HN 0.088 nan 8.210 nan 0.000 0.410 321 L N 1.211 122.510 121.223 0.127 0.000 2.083 321 L HA -0.132 4.207 4.340 -0.001 0.000 0.209 321 L C 2.486 179.426 176.870 0.117 0.000 1.083 321 L CA 2.064 56.989 54.840 0.142 0.000 0.752 321 L CB -0.809 41.372 42.059 0.203 0.000 0.899 321 L HN 0.199 nan 8.230 nan 0.000 0.433 322 A N -1.530 121.346 122.820 0.093 0.000 2.067 322 A HA -0.220 4.100 4.320 -0.001 0.000 0.219 322 A C 2.211 179.830 177.584 0.059 0.000 1.158 322 A CA 1.608 53.684 52.037 0.065 0.000 0.661 322 A CB -0.441 18.585 19.000 0.042 0.000 0.801 322 A HN 0.631 nan 8.150 nan 0.000 0.452 323 Q N -1.211 118.628 119.800 0.065 0.000 2.331 323 Q HA 0.048 4.387 4.340 -0.001 0.000 0.203 323 Q C 2.039 178.073 176.000 0.056 0.000 0.944 323 Q CA 0.395 56.232 55.803 0.055 0.000 0.892 323 Q CB 0.165 28.936 28.738 0.055 0.000 0.983 323 Q HN 0.443 nan 8.270 nan 0.000 0.482 324 R N 0.643 121.184 120.500 0.068 0.000 2.161 324 R HA 0.066 4.405 4.340 -0.001 0.000 0.213 324 R C -0.054 176.284 176.300 0.064 0.000 1.055 324 R CA 0.391 56.532 56.100 0.067 0.000 0.996 324 R CB 0.082 30.429 30.300 0.079 0.000 0.901 324 R HN 0.093 nan 8.270 nan 0.000 0.456 325 K N 1.361 121.802 120.400 0.068 0.000 4.361 325 K HA -0.097 4.223 4.320 -0.001 0.000 0.294 325 K C -2.356 174.285 176.600 0.068 0.000 0.970 325 K CA 0.095 56.421 56.287 0.064 0.000 0.913 325 K CB -0.973 31.556 32.500 0.049 0.000 1.583 325 K HN 0.266 nan 8.250 nan 0.000 0.438 326 P HA 0.057 nan 4.420 nan 0.000 0.274 326 P C 0.514 177.851 177.300 0.061 0.000 1.237 326 P CA -0.057 63.089 63.100 0.076 0.000 0.793 326 P CB 0.840 32.599 31.700 0.099 0.000 0.977 327 T N -3.102 111.475 114.554 0.037 0.000 3.132 327 T HA 0.208 4.557 4.350 -0.001 0.000 0.274 327 T C 0.427 175.115 174.700 -0.019 0.000 1.011 327 T CA -0.248 61.864 62.100 0.020 0.000 0.899 327 T CB -0.326 68.551 68.868 0.016 0.000 1.089 327 T HN 0.092 nan 8.240 nan 0.000 0.543 328 V N 3.826 123.723 119.914 -0.028 0.000 2.406 328 V HA 0.346 4.465 4.120 -0.001 0.000 0.272 328 V C -2.326 173.709 176.094 -0.099 0.000 1.043 328 V CA -2.209 60.029 62.300 -0.102 0.000 0.915 328 V CB 1.036 32.804 31.823 -0.091 0.000 0.988 328 V HN 0.208 nan 8.190 nan 0.000 0.466 329 P HA 0.116 nan 4.420 nan 0.000 0.261 329 P C -0.493 176.846 177.300 0.064 0.000 1.183 329 P CA 0.582 63.621 63.100 -0.102 0.000 0.761 329 P CB 0.276 31.652 31.700 -0.541 0.000 0.785 330 M N 2.933 122.651 119.600 0.197 0.000 2.598 330 M HA 0.473 4.952 4.480 -0.001 0.000 0.317 330 M C -0.300 176.055 176.300 0.091 0.000 1.179 330 M CA -0.566 54.781 55.300 0.078 0.000 0.936 330 M CB 2.085 34.628 32.600 -0.095 0.000 1.713 330 M HN 0.126 nan 8.290 nan 0.000 0.460 331 L N 2.211 123.389 121.223 -0.076 0.000 2.492 331 L HA 0.403 4.743 4.340 -0.001 0.000 0.258 331 L C -1.846 174.919 176.870 -0.175 0.000 1.028 331 L CA -0.240 54.535 54.840 -0.107 0.000 0.900 331 L CB 0.821 42.863 42.059 -0.028 0.000 1.191 331 L HN 0.777 nan 8.230 nan 0.000 0.459 332 W N 3.536 124.843 121.300 0.011 0.000 2.238 332 W HA 0.363 5.022 4.660 -0.001 0.000 0.321 332 W C 0.621 177.065 176.519 -0.127 0.000 1.293 332 W CA 0.050 57.390 57.345 -0.008 0.000 1.204 332 W CB 0.821 30.312 29.460 0.052 0.000 1.167 332 W HN 0.314 nan 8.180 nan 0.000 0.553 333 E N 3.451 123.727 120.200 0.127 0.000 2.331 333 E HA 0.307 4.656 4.350 -0.001 0.000 0.275 333 E C -1.304 175.340 176.600 0.073 0.000 0.895 333 E CA -0.713 55.681 56.400 -0.011 0.000 0.753 333 E CB 2.180 31.792 29.700 -0.147 0.000 1.216 333 E HN 0.677 nan 8.360 nan 0.000 0.434 334 Q N 1.479 121.310 119.800 0.052 0.000 2.527 334 Q HA 0.646 4.985 4.340 -0.001 0.000 0.280 334 Q C -0.827 175.219 176.000 0.078 0.000 0.977 334 Q CA -1.106 54.758 55.803 0.102 0.000 0.837 334 Q CB 0.943 29.738 28.738 0.094 0.000 1.454 334 Q HN 0.464 nan 8.270 nan 0.000 0.387 335 G N 0.997 109.881 108.800 0.139 0.000 2.476 335 G HA2 0.379 4.338 3.960 -0.001 0.000 0.269 335 G HA3 0.379 4.338 3.960 -0.001 0.000 0.269 335 G C 0.231 175.059 174.900 -0.119 0.000 1.195 335 G CA -0.852 44.292 45.100 0.073 0.000 0.843 335 G HN 0.654 nan 8.290 nan 0.000 0.545 336 L N 0.209 121.227 121.223 -0.343 0.000 2.275 336 L HA 0.038 4.377 4.340 -0.001 0.000 0.215 336 L C 0.984 177.524 176.870 -0.549 0.000 1.119 336 L CA 0.653 55.163 54.840 -0.550 0.000 0.790 336 L CB 0.051 41.567 42.059 -0.905 0.000 0.919 336 L HN 0.533 nan 8.230 nan 0.000 0.443 337 W N -0.077 121.144 121.300 -0.132 0.000 1.931 337 W HA 0.208 4.867 4.660 -0.001 0.000 0.346 337 W C -0.082 176.369 176.519 -0.113 0.000 0.775 337 W CA -0.951 56.309 57.345 -0.141 0.000 2.738 337 W CB 0.096 29.462 29.460 -0.157 0.000 1.908 337 W HN -0.080 nan 8.180 nan 0.000 0.665 338 D N 2.459 122.917 120.400 0.096 0.000 2.367 338 D HA -0.047 4.593 4.640 -0.001 0.000 0.255 338 D C 1.752 178.089 176.300 0.062 0.000 1.300 338 D CA 0.478 54.553 54.000 0.125 0.000 0.959 338 D CB 0.967 41.864 40.800 0.162 0.000 1.064 338 D HN 0.210 nan 8.370 nan 0.000 0.509 339 Q N 2.679 122.458 119.800 -0.035 0.000 2.436 339 Q HA -0.116 4.223 4.340 -0.001 0.000 0.209 339 Q C 0.293 176.289 176.000 -0.007 0.000 0.965 339 Q CA 1.169 56.885 55.803 -0.143 0.000 0.910 339 Q CB 0.246 28.690 28.738 -0.490 0.000 0.980 339 Q HN 0.579 nan 8.270 nan 0.000 0.491 340 E N 0.245 120.426 120.200 -0.031 0.000 2.306 340 E HA 0.107 4.456 4.350 -0.001 0.000 0.201 340 E C -0.133 176.390 176.600 -0.129 0.000 0.874 340 E CA 0.140 56.447 56.400 -0.156 0.000 0.972 340 E CB 0.639 29.988 29.700 -0.586 0.000 0.957 340 E HN 0.302 nan 8.360 nan 0.000 0.492 341 D N 0.831 121.213 120.400 -0.031 0.000 2.613 341 D HA 0.124 4.764 4.640 -0.001 0.000 0.312 341 D C 0.314 176.717 176.300 0.172 0.000 1.202 341 D CA -0.029 54.024 54.000 0.088 0.000 0.825 341 D CB 1.201 42.083 40.800 0.136 0.000 1.113 341 D HN 0.004 nan 8.370 nan 0.000 0.502 342 M N 0.288 119.998 119.600 0.184 0.000 2.319 342 M HA 0.014 4.494 4.480 -0.001 0.000 0.265 342 M C 1.594 178.016 176.300 0.204 0.000 1.068 342 M CA 1.204 56.611 55.300 0.179 0.000 1.118 342 M CB 0.101 32.824 32.600 0.206 0.000 1.395 342 M HN 0.403 nan 8.290 nan 0.000 0.435 343 W N 0.352 121.649 121.300 -0.006 0.000 2.441 343 W HA 0.043 4.702 4.660 -0.001 0.000 0.302 343 W C 1.696 178.293 176.519 0.130 0.000 1.191 343 W CA 1.540 58.892 57.345 0.011 0.000 1.327 343 W CB -0.925 28.393 29.460 -0.236 0.000 1.128 343 W HN 0.327 nan 8.180 nan 0.000 0.522 344 G N 1.619 110.617 108.800 0.329 0.000 3.289 344 G HA2 -0.459 3.500 3.960 -0.001 0.000 0.242 344 G HA3 -0.459 3.500 3.960 -0.001 0.000 0.242 344 G C 1.583 176.586 174.900 0.171 0.000 1.044 344 G CA 2.821 48.084 45.100 0.272 0.000 0.747 344 G HN 0.426 nan 8.290 nan 0.000 1.087 345 A N 0.135 123.068 122.820 0.188 0.000 1.859 345 A HA -0.090 4.229 4.320 -0.001 0.000 0.217 345 A C 2.551 180.099 177.584 -0.060 0.000 1.198 345 A CA 2.351 54.475 52.037 0.145 0.000 0.629 345 A CB -0.636 18.515 19.000 0.251 0.000 0.830 345 A HN 0.870 nan 8.150 nan 0.000 0.446 346 I N -1.370 119.174 120.570 -0.042 0.000 2.194 346 I HA -0.321 3.849 4.170 -0.001 0.000 0.246 346 I C 2.282 178.310 176.117 -0.149 0.000 1.093 346 I CA 2.336 63.592 61.300 -0.075 0.000 1.355 346 I CB -0.168 37.752 38.000 -0.134 0.000 1.046 346 I HN 0.512 nan 8.210 nan 0.000 0.413 347 H N 0.046 118.961 119.070 -0.258 0.000 2.436 347 H HA 0.101 4.656 4.556 -0.001 0.000 0.294 347 H C 2.182 177.374 175.328 -0.226 0.000 1.048 347 H CA 1.263 57.125 56.048 -0.311 0.000 1.353 347 H CB -0.210 29.192 29.762 -0.598 0.000 1.414 347 H HN 0.454 nan 8.280 nan 0.000 0.536 348 A N 0.191 122.879 122.820 -0.218 0.000 1.897 348 A HA -0.168 4.152 4.320 -0.001 0.000 0.215 348 A C 2.096 179.295 177.584 -0.642 0.000 1.181 348 A CA 1.303 53.061 52.037 -0.465 0.000 0.620 348 A CB -1.016 17.479 19.000 -0.842 0.000 0.821 348 A HN 0.679 nan 8.150 nan 0.000 0.443 349 W N 0.611 121.334 121.300 -0.961 0.000 2.381 349 W HA -0.173 4.486 4.660 -0.001 0.000 0.301 349 W C 2.172 178.526 176.519 -0.276 0.000 1.205 349 W CA 1.956 58.877 57.345 -0.707 0.000 1.285 349 W CB -0.221 28.932 29.460 -0.512 0.000 1.133 349 W HN 0.384 nan 8.180 nan 0.000 0.521 350 Q N 0.917 120.553 119.800 -0.274 0.000 2.079 350 Q HA -0.106 4.233 4.340 -0.001 0.000 0.200 350 Q C 2.264 178.059 176.000 -0.342 0.000 0.974 350 Q CA 2.626 58.164 55.803 -0.442 0.000 0.840 350 Q CB -0.794 27.820 28.738 -0.207 0.000 0.898 350 Q HN 0.282 nan 8.270 nan 0.000 0.430 351 A N -0.044 122.649 122.820 -0.213 0.000 1.933 351 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 351 A C 2.042 179.549 177.584 -0.128 0.000 1.175 351 A CA 1.338 53.304 52.037 -0.118 0.000 0.628 351 A CB -0.655 18.323 19.000 -0.038 0.000 0.814 351 A HN 0.456 nan 8.150 nan 0.000 0.444 352 L N -1.024 120.095 121.223 -0.172 0.000 2.156 352 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 352 L C 2.570 179.338 176.870 -0.170 0.000 1.095 352 L CA 1.547 56.323 54.840 -0.108 0.000 0.770 352 L CB -0.258 41.789 42.059 -0.020 0.000 0.914 352 L HN 0.393 nan 8.230 nan 0.000 0.439 353 K N -0.088 120.102 120.400 -0.350 0.000 2.097 353 K HA -0.168 4.151 4.320 -0.001 0.000 0.205 353 K C 1.490 177.957 176.600 -0.223 0.000 1.050 353 K CA 1.376 57.443 56.287 -0.367 0.000 0.938 353 K CB 0.114 32.198 32.500 -0.694 0.000 0.718 353 K HN 0.215 nan 8.250 nan 0.000 0.442 354 D N 0.129 120.408 120.400 -0.201 0.000 2.183 354 D HA -0.076 4.563 4.640 -0.001 0.000 0.203 354 D C 1.339 177.596 176.300 -0.071 0.000 0.969 354 D CA 0.932 54.859 54.000 -0.121 0.000 0.842 354 D CB 0.089 40.828 40.800 -0.101 0.000 0.957 354 D HN 0.277 nan 8.370 nan 0.000 0.484 355 A N 0.274 123.056 122.820 -0.063 0.000 2.251 355 A HA 0.022 4.342 4.320 -0.001 0.000 0.209 355 A C 0.243 177.816 177.584 -0.019 0.000 1.187 355 A CA 0.337 52.358 52.037 -0.026 0.000 0.823 355 A CB -0.050 18.945 19.000 -0.009 0.000 0.846 355 A HN 0.065 nan 8.150 nan 0.000 0.486 356 D N -1.183 119.196 120.400 -0.036 0.000 2.828 356 D HA -0.138 4.501 4.640 -0.001 0.000 0.241 356 D C -0.195 176.107 176.300 0.003 0.000 1.142 356 D CA 0.810 54.799 54.000 -0.019 0.000 0.755 356 D CB -1.631 39.164 40.800 -0.007 0.000 1.014 356 D HN 0.377 nan 8.370 nan 0.000 0.420 357 V N 2.055 121.972 119.914 0.004 0.000 2.599 357 V HA 0.040 4.159 4.120 -0.001 0.000 0.300 357 V C 0.885 177.010 176.094 0.051 0.000 1.034 357 V CA 0.299 62.621 62.300 0.037 0.000 1.115 357 V CB 0.852 32.710 31.823 0.058 0.000 0.934 357 V HN 0.178 nan 8.190 nan 0.000 0.485 358 K N 6.307 126.740 120.400 0.054 0.000 3.001 358 K HA 0.576 4.895 4.320 -0.001 0.000 0.257 358 K C -0.231 176.411 176.600 0.069 0.000 1.290 358 K CA 0.303 56.625 56.287 0.058 0.000 1.252 358 K CB 0.378 32.906 32.500 0.047 0.000 1.656 358 K HN 0.787 nan 8.250 nan 0.000 0.351 359 A N 1.184 124.057 122.820 0.090 0.000 2.599 359 A HA 0.469 4.788 4.320 -0.001 0.000 0.294 359 A C -2.949 174.728 177.584 0.154 0.000 1.055 359 A CA -1.268 50.830 52.037 0.101 0.000 0.683 359 A CB 0.979 20.022 19.000 0.073 0.000 1.278 359 A HN 0.042 nan 8.150 nan 0.000 0.412 360 P HA 0.196 nan 4.420 nan 0.000 0.260 360 P C -0.794 176.683 177.300 0.295 0.000 1.185 360 P CA 0.611 63.880 63.100 0.281 0.000 0.763 360 P CB 0.201 32.152 31.700 0.419 0.000 0.776 361 N N 2.115 121.002 118.700 0.311 0.000 2.664 361 N HA 0.240 4.980 4.740 -0.001 0.000 0.257 361 N C -1.359 174.515 175.510 0.608 0.000 1.108 361 N CA -0.242 53.072 53.050 0.439 0.000 0.822 361 N CB 0.558 39.235 38.487 0.318 0.000 1.199 361 N HN 0.069 nan 8.380 nan 0.000 0.529 362 T N 2.298 117.112 114.554 0.434 0.000 2.823 362 T HA 0.462 4.812 4.350 -0.001 0.000 0.279 362 T C -0.739 173.949 174.700 -0.019 0.000 0.998 362 T CA -0.450 61.780 62.100 0.217 0.000 0.994 362 T CB 1.222 70.071 68.868 -0.032 0.000 0.960 362 T HN 0.333 nan 8.240 nan 0.000 0.448 363 L N 4.449 125.363 121.223 -0.515 0.000 2.296 363 L HA 0.775 5.114 4.340 -0.001 0.000 0.286 363 L C -1.203 175.348 176.870 -0.532 0.000 1.023 363 L CA -0.436 53.969 54.840 -0.726 0.000 0.812 363 L CB 1.189 42.258 42.059 -1.649 0.000 1.223 363 L HN 0.419 nan 8.230 nan 0.000 0.421 364 V N 6.572 126.262 119.914 -0.375 0.000 2.448 364 V HA 0.525 4.645 4.120 -0.001 0.000 0.295 364 V C -0.126 175.763 176.094 -0.342 0.000 1.025 364 V CA -0.385 61.688 62.300 -0.379 0.000 0.859 364 V CB 1.583 33.144 31.823 -0.437 0.000 0.988 364 V HN 0.795 nan 8.190 nan 0.000 0.431 365 M N 4.220 123.600 119.600 -0.366 0.000 2.067 365 M HA 0.533 5.012 4.480 -0.001 0.000 0.286 365 M C 0.346 176.282 176.300 -0.606 0.000 0.922 365 M CA -0.173 54.876 55.300 -0.419 0.000 0.937 365 M CB 1.902 34.238 32.600 -0.440 0.000 1.550 365 M HN 0.784 nan 8.290 nan 0.000 0.433 366 G N 2.496 110.602 108.800 -1.158 0.000 2.531 366 G HA2 0.673 4.632 3.960 -0.001 0.000 0.313 366 G HA3 0.673 4.632 3.960 -0.001 0.000 0.313 366 G C -2.684 171.183 174.900 -1.722 0.000 1.238 366 G CA -1.212 42.673 45.100 -2.025 0.000 0.994 366 G HN 0.407 nan 8.290 nan 0.000 0.493 367 P HA 0.196 nan 4.420 nan 0.000 0.212 367 P C -0.915 175.975 177.300 -0.683 0.000 1.816 367 P CA -0.153 62.233 63.100 -1.189 0.000 0.944 367 P CB -0.118 30.400 31.700 -1.970 0.000 1.896 368 W N 1.573 122.810 121.300 -0.105 0.000 2.850 368 W HA 0.462 5.121 4.660 -0.001 0.000 0.349 368 W C 0.698 177.276 176.519 0.099 0.000 1.133 368 W CA -0.803 56.550 57.345 0.013 0.000 1.117 368 W CB 0.582 30.029 29.460 -0.021 0.000 1.442 368 W HN 0.004 nan 8.180 nan 0.000 0.575 369 R N -0.292 120.413 120.500 0.341 0.000 2.527 369 R HA 0.380 4.719 4.340 -0.001 0.000 0.243 369 R C -0.150 176.293 176.300 0.239 0.000 1.206 369 R CA -0.794 55.435 56.100 0.215 0.000 1.134 369 R CB -0.235 30.134 30.300 0.114 0.000 1.347 369 R HN 0.350 nan 8.270 nan 0.000 0.580 370 H N -0.046 119.088 119.070 0.108 0.000 3.107 370 H HA 0.050 4.605 4.556 -0.001 0.000 0.301 370 H C -0.283 175.147 175.328 0.170 0.000 0.981 370 H CA 1.423 57.553 56.048 0.137 0.000 1.443 370 H CB 0.112 29.951 29.762 0.127 0.000 1.479 370 H HN 0.710 nan 8.280 nan 0.000 0.564 371 S N 1.878 117.389 115.700 -0.315 0.000 3.127 371 S HA -0.234 4.236 4.470 -0.001 0.000 0.281 371 S C 1.836 176.464 174.600 0.046 0.000 1.293 371 S CA 0.917 59.005 58.200 -0.188 0.000 1.156 371 S CB -1.676 61.404 63.200 -0.201 0.000 1.389 371 S HN 1.017 nan 8.310 nan 0.000 0.672 372 G N 0.376 109.224 108.800 0.080 0.000 2.498 372 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.219 372 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.219 372 G C 1.174 175.884 174.900 -0.316 0.000 1.119 372 G CA 0.945 46.092 45.100 0.078 0.000 0.766 372 G HN 0.652 nan 8.290 nan 0.000 0.552 373 V N 0.960 120.561 119.914 -0.521 0.000 2.720 373 V HA -0.065 4.054 4.120 -0.001 0.000 0.256 373 V C 1.575 177.383 176.094 -0.476 0.000 1.082 373 V CA 1.534 63.296 62.300 -0.896 0.000 1.101 373 V CB -0.268 31.151 31.823 -0.674 0.000 0.693 373 V HN 0.349 nan 8.190 nan 0.000 0.479 374 N N -1.316 117.156 118.700 -0.379 0.000 2.268 374 N HA 0.150 4.889 4.740 -0.001 0.000 0.204 374 N C -0.303 174.726 175.510 -0.801 0.000 1.124 374 N CA 0.211 52.952 53.050 -0.516 0.000 0.838 374 N CB 0.460 38.601 38.487 -0.577 0.000 0.994 374 N HN 0.563 nan 8.380 nan 0.000 0.489 375 Y N -0.409 119.817 120.300 -0.124 0.000 3.345 375 Y HA 0.314 4.864 4.550 -0.001 0.000 0.279 375 Y C 0.486 176.347 175.900 -0.065 0.000 1.980 375 Y CA -1.070 56.988 58.100 -0.071 0.000 0.912 375 Y CB 0.107 38.540 38.460 -0.046 0.000 1.460 375 Y HN -0.239 nan 8.280 nan 0.000 0.605 376 N N 0.517 119.324 118.700 0.178 0.000 2.422 376 N HA 0.234 4.974 4.740 -0.001 0.000 0.266 376 N C 0.000 175.599 175.510 0.148 0.000 1.007 376 N CA 0.124 53.246 53.050 0.120 0.000 0.941 376 N CB 1.469 40.018 38.487 0.103 0.000 1.115 376 N HN 0.863 nan 8.380 nan 0.000 0.492 377 G N 1.578 110.488 108.800 0.183 0.000 3.609 377 G HA2 0.013 3.972 3.960 -0.001 0.000 0.280 377 G HA3 0.013 3.972 3.960 -0.001 0.000 0.280 377 G C 0.929 176.054 174.900 0.375 0.000 1.155 377 G CA -0.210 45.097 45.100 0.346 0.000 0.876 377 G HN 0.514 nan 8.290 nan 0.000 0.535 378 S N -0.083 115.782 115.700 0.275 0.000 2.395 378 S HA 0.045 4.514 4.470 -0.001 0.000 0.225 378 S C 1.589 176.315 174.600 0.210 0.000 1.027 378 S CA 1.249 59.590 58.200 0.235 0.000 0.965 378 S CB 0.150 63.426 63.200 0.126 0.000 0.812 378 S HN 0.684 nan 8.310 nan 0.000 0.482 379 T N -1.066 113.589 114.554 0.169 0.000 2.804 379 T HA 0.740 5.089 4.350 -0.001 0.000 0.290 379 T C -1.466 173.310 174.700 0.127 0.000 1.099 379 T CA -0.794 61.287 62.100 -0.031 0.000 1.011 379 T CB 1.831 70.644 68.868 -0.093 0.000 1.291 379 T HN -0.023 nan 8.240 nan 0.000 0.523 380 L N 0.697 121.888 121.223 -0.053 0.000 2.845 380 L HA 0.567 4.906 4.340 -0.001 0.000 0.253 380 L C 0.476 177.239 176.870 -0.179 0.000 0.959 380 L CA 1.460 56.291 54.840 -0.016 0.000 1.001 380 L CB 0.626 42.763 42.059 0.130 0.000 1.374 380 L HN 1.580 nan 8.230 nan 0.000 0.469 381 G N 5.457 114.176 108.800 -0.135 0.000 2.556 381 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.283 381 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.283 381 G C -1.705 173.090 174.900 -0.174 0.000 1.177 381 G CA 0.225 45.239 45.100 -0.144 0.000 0.978 381 G HN 0.569 nan 8.290 nan 0.000 0.554 382 P HA 0.275 nan 4.420 nan 0.000 0.245 382 P C 0.944 178.041 177.300 -0.339 0.000 1.206 382 P CA 0.254 63.210 63.100 -0.241 0.000 0.781 382 P CB 0.073 31.626 31.700 -0.246 0.000 0.994 383 L N 0.417 121.384 121.223 -0.427 0.000 2.439 383 L HA 0.201 4.540 4.340 -0.001 0.000 0.269 383 L C 0.626 177.059 176.870 -0.728 0.000 1.179 383 L CA 0.160 54.654 54.840 -0.577 0.000 0.828 383 L CB 0.233 41.898 42.059 -0.657 0.000 1.106 383 L HN -0.116 nan 8.230 nan 0.000 0.467 384 E N 1.622 121.388 120.200 -0.723 0.000 2.218 384 E HA 0.464 4.813 4.350 -0.001 0.000 0.263 384 E C -1.389 174.870 176.600 -0.568 0.000 0.879 384 E CA -0.492 55.556 56.400 -0.588 0.000 0.762 384 E CB 1.606 31.143 29.700 -0.271 0.000 1.166 384 E HN 0.187 nan 8.360 nan 0.000 0.415 385 F N 0.646 120.591 119.950 -0.009 0.000 2.509 385 F HA 0.308 4.834 4.527 -0.001 0.000 0.334 385 F C 0.986 176.819 175.800 0.055 0.000 1.060 385 F CA -1.063 56.946 58.000 0.015 0.000 0.997 385 F CB 0.727 39.639 39.000 -0.145 0.000 1.271 385 F HN 0.218 nan 8.300 nan 0.000 0.488 386 E N 1.914 122.313 120.200 0.332 0.000 1.775 386 E HA 0.353 4.702 4.350 -0.001 0.000 0.266 386 E C 0.624 177.356 176.600 0.221 0.000 1.191 386 E CA 0.284 56.821 56.400 0.229 0.000 1.048 386 E CB -0.408 29.418 29.700 0.211 0.000 1.081 386 E HN 0.802 nan 8.360 nan 0.000 0.434 387 G N 2.992 111.902 108.800 0.184 0.000 2.760 387 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.246 387 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.246 387 G C -0.396 174.634 174.900 0.218 0.000 1.359 387 G CA -0.579 44.630 45.100 0.182 0.000 0.861 387 G HN 0.479 nan 8.290 nan 0.000 0.541 388 D N 0.997 121.529 120.400 0.221 0.000 2.441 388 D HA 0.339 4.978 4.640 -0.001 0.000 0.243 388 D C 2.201 178.701 176.300 0.334 0.000 1.257 388 D CA 0.873 55.022 54.000 0.250 0.000 1.027 388 D CB -0.044 40.886 40.800 0.217 0.000 1.084 388 D HN 0.734 nan 8.370 nan 0.000 0.514 389 T N 0.512 115.289 114.554 0.371 0.000 2.833 389 T HA -0.165 4.184 4.350 -0.001 0.000 0.269 389 T C 1.829 176.986 174.700 0.761 0.000 1.054 389 T CA 0.994 63.425 62.100 0.551 0.000 1.135 389 T CB -0.048 68.923 68.868 0.171 0.000 0.869 389 T HN 0.249 nan 8.240 nan 0.000 0.466 390 A N 1.400 124.502 122.820 0.471 0.000 1.898 390 A HA -0.059 4.260 4.320 -0.001 0.000 0.216 390 A C 2.243 179.914 177.584 0.146 0.000 1.181 390 A CA 1.838 53.883 52.037 0.013 0.000 0.620 390 A CB -1.163 17.610 19.000 -0.378 0.000 0.819 390 A HN 0.704 nan 8.150 nan 0.000 0.442 391 H N -0.383 118.738 119.070 0.085 0.000 2.423 391 H HA -0.041 4.514 4.556 -0.001 0.000 0.297 391 H C 2.068 177.433 175.328 0.061 0.000 1.075 391 H CA 2.023 58.094 56.048 0.038 0.000 1.342 391 H CB -0.209 29.573 29.762 0.033 0.000 1.395 391 H HN 0.569 nan 8.280 nan 0.000 0.530 392 Q N -1.095 118.764 119.800 0.099 0.000 2.050 392 Q HA -0.208 4.132 4.340 -0.001 0.000 0.202 392 Q C 1.893 177.859 176.000 -0.057 0.000 0.980 392 Q CA 1.860 57.690 55.803 0.045 0.000 0.840 392 Q CB -0.295 28.639 28.738 0.326 0.000 0.898 392 Q HN 0.649 nan 8.270 nan 0.000 0.424 393 Y N 0.757 121.017 120.300 -0.068 0.000 2.242 393 Y HA -0.119 4.430 4.550 -0.001 0.000 0.291 393 Y C 1.941 177.771 175.900 -0.117 0.000 1.137 393 Y CA 1.330 59.318 58.100 -0.186 0.000 1.181 393 Y CB 0.021 38.460 38.460 -0.035 0.000 0.989 393 Y HN -0.104 nan 8.280 nan 0.000 0.527 394 R N -0.051 120.266 120.500 -0.305 0.000 2.096 394 R HA -0.135 4.204 4.340 -0.001 0.000 0.235 394 R C 2.501 178.528 176.300 -0.454 0.000 1.127 394 R CA 1.570 57.454 56.100 -0.361 0.000 0.968 394 R CB -0.248 29.958 30.300 -0.157 0.000 0.861 394 R HN 0.347 nan 8.270 nan 0.000 0.440 395 R N 0.375 120.607 120.500 -0.447 0.000 2.090 395 R HA -0.060 4.279 4.340 -0.001 0.000 0.219 395 R C 0.963 177.085 176.300 -0.297 0.000 1.100 395 R CA 1.248 57.098 56.100 -0.417 0.000 0.991 395 R CB 0.248 30.244 30.300 -0.506 0.000 0.893 395 R HN 0.130 nan 8.270 nan 0.000 0.443 396 D N -0.396 119.849 120.400 -0.258 0.000 2.240 396 D HA -0.038 4.601 4.640 -0.001 0.000 0.206 396 D C 1.755 177.970 176.300 -0.142 0.000 0.963 396 D CA 0.831 54.728 54.000 -0.172 0.000 0.863 396 D CB 0.405 41.124 40.800 -0.135 0.000 0.973 396 D HN 0.105 nan 8.370 nan 0.000 0.501 397 V N 0.405 120.188 119.914 -0.218 0.000 2.840 397 V HA -0.018 4.101 4.120 -0.001 0.000 0.234 397 V C 1.916 177.940 176.094 -0.116 0.000 1.159 397 V CA -0.011 62.198 62.300 -0.152 0.000 1.194 397 V CB -0.291 31.455 31.823 -0.128 0.000 0.971 397 V HN -0.044 nan 8.190 nan 0.000 0.494 398 F N 2.410 121.957 119.950 -0.671 0.000 2.011 398 F HA -0.239 4.288 4.527 -0.001 0.000 0.296 398 F C 2.676 178.329 175.800 -0.245 0.000 1.144 398 F CA 2.655 60.329 58.000 -0.545 0.000 1.185 398 F CB -0.728 37.727 39.000 -0.908 0.000 0.961 398 F HN 0.103 nan 8.300 nan 0.000 0.485 399 R N 0.680 120.930 120.500 -0.418 0.000 2.094 399 R HA -0.150 4.189 4.340 -0.001 0.000 0.239 399 R C -0.845 175.393 176.300 -0.103 0.000 1.137 399 R CA 2.253 58.040 56.100 -0.523 0.000 0.943 399 R CB -1.879 27.985 30.300 -0.726 0.000 0.850 399 R HN 0.215 nan 8.270 nan 0.000 0.433 400 P HA -0.088 nan 4.420 nan 0.000 0.218 400 P C 0.889 178.284 177.300 0.157 0.000 1.149 400 P CA 0.979 64.101 63.100 0.037 0.000 0.817 400 P CB -0.182 31.524 31.700 0.012 0.000 0.785 401 F N -1.139 118.890 119.950 0.132 0.000 2.186 401 F HA -0.087 4.439 4.527 -0.001 0.000 0.299 401 F C 1.842 177.893 175.800 0.418 0.000 1.090 401 F CA 1.259 59.414 58.000 0.258 0.000 1.307 401 F CB -0.595 38.606 39.000 0.335 0.000 1.019 401 F HN -0.221 nan 8.300 nan 0.000 0.489 402 F N 0.605 120.668 119.950 0.187 0.000 2.293 402 F HA -0.050 4.476 4.527 -0.001 0.000 0.297 402 F C 2.174 178.059 175.800 0.141 0.000 1.089 402 F CA 1.087 59.190 58.000 0.171 0.000 1.377 402 F CB -0.803 38.365 39.000 0.281 0.000 1.051 402 F HN -0.102 nan 8.300 nan 0.000 0.511 403 D N -0.126 120.430 120.400 0.260 0.000 2.178 403 D HA -0.165 4.474 4.640 -0.001 0.000 0.202 403 D C 2.186 178.454 176.300 -0.055 0.000 0.974 403 D CA 0.861 54.941 54.000 0.134 0.000 0.841 403 D CB -0.251 40.600 40.800 0.086 0.000 0.953 403 D HN 0.334 nan 8.370 nan 0.000 0.478 404 E N -0.846 119.237 120.200 -0.194 0.000 2.110 404 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 404 E C 0.982 177.208 176.600 -0.623 0.000 0.988 404 E CA 0.944 57.054 56.400 -0.482 0.000 0.804 404 E CB 0.098 29.341 29.700 -0.762 0.000 0.745 404 E HN 0.420 nan 8.360 nan 0.000 0.458 405 Y N -1.210 118.962 120.300 -0.213 0.000 2.462 405 Y HA 0.193 4.742 4.550 -0.001 0.000 0.253 405 Y C 1.676 177.463 175.900 -0.188 0.000 1.095 405 Y CA 0.017 57.983 58.100 -0.223 0.000 1.283 405 Y CB 0.504 38.773 38.460 -0.318 0.000 1.138 405 Y HN -0.036 nan 8.280 nan 0.000 0.522 406 L N -0.622 120.577 121.223 -0.041 0.000 2.515 406 L HA 0.195 4.534 4.340 -0.001 0.000 0.223 406 L C 0.110 176.909 176.870 -0.118 0.000 1.079 406 L CA 0.489 55.282 54.840 -0.079 0.000 0.857 406 L CB 0.311 42.341 42.059 -0.048 0.000 1.050 406 L HN -0.154 nan 8.230 nan 0.000 0.476 407 K N 1.159 121.502 120.400 -0.095 0.000 2.527 407 K HA 0.328 4.647 4.320 -0.001 0.000 0.240 407 K C -2.492 174.052 176.600 -0.093 0.000 0.989 407 K CA -1.820 54.406 56.287 -0.102 0.000 0.985 407 K CB 1.634 34.088 32.500 -0.077 0.000 1.221 407 K HN -0.242 nan 8.250 nan 0.000 0.458 408 P HA -0.005 nan 4.420 nan 0.000 0.263 408 P C 0.633 177.890 177.300 -0.071 0.000 1.195 408 P CA 0.768 63.820 63.100 -0.079 0.000 0.762 408 P CB 0.819 32.479 31.700 -0.068 0.000 0.799 409 G N 1.561 110.317 108.800 -0.073 0.000 2.179 409 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.220 409 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.220 409 G C 0.473 175.334 174.900 -0.064 0.000 0.990 409 G CA -0.195 44.869 45.100 -0.061 0.000 0.646 409 G HN 0.557 nan 8.290 nan 0.000 0.517 410 S N 0.435 116.087 115.700 -0.081 0.000 2.614 410 S HA 0.677 5.146 4.470 -0.001 0.000 0.265 410 S C 0.949 175.494 174.600 -0.092 0.000 1.303 410 S CA 0.223 58.376 58.200 -0.079 0.000 1.000 410 S CB 1.259 64.410 63.200 -0.081 0.000 0.935 410 S HN 1.583 nan 8.310 nan 0.000 0.551 411 A N 1.822 124.596 122.820 -0.077 0.000 2.462 411 A HA 0.360 4.679 4.320 -0.001 0.000 0.243 411 A C 0.436 177.950 177.584 -0.118 0.000 1.076 411 A CA -0.108 51.884 52.037 -0.075 0.000 0.773 411 A CB 0.036 19.007 19.000 -0.049 0.000 1.010 411 A HN 0.588 nan 8.150 nan 0.000 0.493 412 S N 0.355 115.979 115.700 -0.127 0.000 2.489 412 S HA 0.445 4.914 4.470 -0.001 0.000 0.277 412 S C 0.053 174.504 174.600 -0.249 0.000 1.230 412 S CA -0.349 57.718 58.200 -0.222 0.000 1.053 412 S CB 0.335 63.414 63.200 -0.203 0.000 0.955 412 S HN 1.160 nan 8.310 nan 0.000 0.488 413 V N 3.186 122.949 119.914 -0.251 0.000 2.483 413 V HA 0.581 4.700 4.120 -0.001 0.000 0.295 413 V C -0.529 175.434 176.094 -0.219 0.000 1.035 413 V CA -0.676 61.548 62.300 -0.126 0.000 0.896 413 V CB 1.349 33.210 31.823 0.063 0.000 0.986 413 V HN 0.845 nan 8.190 nan 0.000 0.447 414 H N 5.197 124.347 119.070 0.135 0.000 2.572 414 H HA 0.456 5.011 4.556 -0.001 0.000 0.248 414 H C -0.337 175.085 175.328 0.156 0.000 1.397 414 H CA -0.349 55.788 56.048 0.149 0.000 1.319 414 H CB 1.146 30.972 29.762 0.106 0.000 1.452 414 H HN 0.600 nan 8.280 nan 0.000 0.535 415 L N 4.360 125.727 121.223 0.241 0.000 2.456 415 L HA 0.133 4.472 4.340 -0.001 0.000 0.272 415 L C -1.325 175.659 176.870 0.191 0.000 1.189 415 L CA -1.434 53.511 54.840 0.176 0.000 0.846 415 L CB 0.314 42.396 42.059 0.038 0.000 1.111 415 L HN 0.319 nan 8.230 nan 0.000 0.475 416 P HA 0.131 nan 4.420 nan 0.000 0.307 416 P C -0.064 177.355 177.300 0.199 0.000 1.306 416 P CA -0.414 62.802 63.100 0.194 0.000 0.742 416 P CB 0.848 32.671 31.700 0.204 0.000 1.349 417 D N -1.043 119.515 120.400 0.262 0.000 2.117 417 D HA 0.081 4.720 4.640 -0.001 0.000 0.197 417 D C 0.426 176.894 176.300 0.280 0.000 0.987 417 D CA 1.434 55.673 54.000 0.398 0.000 0.829 417 D CB -0.220 40.876 40.800 0.492 0.000 0.961 417 D HN 0.515 nan 8.370 nan 0.000 0.460 418 A N -0.697 122.168 122.820 0.075 0.000 2.547 418 A HA 0.618 4.937 4.320 -0.001 0.000 0.297 418 A C -1.358 176.038 177.584 -0.313 0.000 1.056 418 A CA -0.594 51.281 52.037 -0.270 0.000 0.688 418 A CB 1.167 19.823 19.000 -0.575 0.000 1.282 418 A HN 0.040 nan 8.150 nan 0.000 0.400 419 I N 2.708 123.016 120.570 -0.437 0.000 2.405 419 I HA 0.398 4.568 4.170 -0.001 0.000 0.280 419 I C -1.113 174.812 176.117 -0.319 0.000 1.027 419 I CA -0.098 60.894 61.300 -0.513 0.000 1.161 419 I CB 0.971 38.565 38.000 -0.676 0.000 1.300 419 I HN 0.474 nan 8.210 nan 0.000 0.463 420 I N 5.675 126.088 120.570 -0.262 0.000 2.509 420 I HA 0.308 4.477 4.170 -0.001 0.000 0.293 420 I C -0.551 175.451 176.117 -0.191 0.000 1.020 420 I CA -0.894 60.259 61.300 -0.244 0.000 1.088 420 I CB 1.654 39.388 38.000 -0.444 0.000 1.267 420 I HN 0.335 nan 8.210 nan 0.000 0.430 421 Y N 5.542 125.482 120.300 -0.600 0.000 2.359 421 Y HA 0.188 4.737 4.550 -0.001 0.000 0.330 421 Y C 0.453 176.007 175.900 -0.578 0.000 1.143 421 Y CA 0.079 57.613 58.100 -0.943 0.000 1.318 421 Y CB 0.643 38.178 38.460 -1.542 0.000 1.234 421 Y HN 0.544 nan 8.280 nan 0.000 0.522 422 N N 3.666 121.825 118.700 -0.901 0.000 2.420 422 N HA 0.008 4.747 4.740 -0.001 0.000 0.249 422 N C 0.378 175.612 175.510 -0.461 0.000 1.033 422 N CA 0.337 53.063 53.050 -0.540 0.000 0.944 422 N CB 1.127 39.355 38.487 -0.432 0.000 1.113 422 N HN 0.890 nan 8.380 nan 0.000 0.502 423 T N -0.106 114.369 114.554 -0.132 0.000 3.160 423 T HA 0.094 4.443 4.350 -0.001 0.000 0.257 423 T C 1.299 176.060 174.700 0.102 0.000 1.147 423 T CA 0.464 62.664 62.100 0.167 0.000 1.064 423 T CB 0.202 69.241 68.868 0.284 0.000 0.949 423 T HN 0.459 nan 8.240 nan 0.000 0.526 424 G N 0.515 109.166 108.800 -0.249 0.000 2.834 424 G HA2 0.111 4.071 3.960 -0.001 0.000 0.198 424 G HA3 0.111 4.071 3.960 -0.001 0.000 0.198 424 G C 1.143 175.880 174.900 -0.272 0.000 1.070 424 G CA -0.041 44.786 45.100 -0.454 0.000 0.771 424 G HN 0.361 nan 8.290 nan 0.000 0.601 425 D N 0.515 120.753 120.400 -0.269 0.000 2.333 425 D HA 0.064 4.703 4.640 -0.001 0.000 0.208 425 D C 0.494 176.666 176.300 -0.214 0.000 0.984 425 D CA 0.392 54.262 54.000 -0.218 0.000 0.873 425 D CB 0.234 40.904 40.800 -0.218 0.000 0.935 425 D HN 0.097 nan 8.370 nan 0.000 0.521 426 Q N -0.291 119.333 119.800 -0.294 0.000 2.464 426 Q HA -0.209 4.131 4.340 -0.001 0.000 0.304 426 Q C -0.425 175.326 176.000 -0.414 0.000 1.401 426 Q CA 0.825 56.470 55.803 -0.263 0.000 0.806 426 Q CB -2.178 26.573 28.738 0.022 0.000 1.134 426 Q HN 0.560 nan 8.270 nan 0.000 0.411 427 K N -2.674 117.236 120.400 -0.816 0.000 2.579 427 K HA 0.619 4.938 4.320 -0.001 0.000 0.284 427 K C -1.241 174.944 176.600 -0.693 0.000 0.990 427 K CA -1.017 54.946 56.287 -0.540 0.000 0.880 427 K CB 0.792 33.164 32.500 -0.214 0.000 1.488 427 K HN -0.019 nan 8.250 nan 0.000 0.425 428 W N 1.780 122.954 121.300 -0.211 0.000 2.311 428 W HA 0.247 4.906 4.660 -0.001 0.000 0.310 428 W C -0.464 175.974 176.519 -0.135 0.000 1.274 428 W CA 0.237 57.505 57.345 -0.129 0.000 1.215 428 W CB 0.953 30.464 29.460 0.086 0.000 1.227 428 W HN 0.391 nan 8.180 nan 0.000 0.523 429 D N 2.402 122.784 120.400 -0.031 0.000 2.217 429 D HA 0.178 4.817 4.640 -0.001 0.000 0.243 429 D C -1.216 174.864 176.300 -0.366 0.000 1.054 429 D CA -0.534 53.298 54.000 -0.280 0.000 0.838 429 D CB 1.178 41.632 40.800 -0.578 0.000 1.162 429 D HN 0.176 nan 8.370 nan 0.000 0.472 430 Y N 1.945 121.984 120.300 -0.435 0.000 2.478 430 Y HA 0.239 4.788 4.550 -0.001 0.000 0.329 430 Y C -0.553 175.168 175.900 -0.299 0.000 0.967 430 Y CA -0.745 57.189 58.100 -0.277 0.000 1.255 430 Y CB 0.468 38.850 38.460 -0.129 0.000 1.103 430 Y HN 0.221 nan 8.280 nan 0.000 0.497 431 Y N 2.795 123.133 120.300 0.063 0.000 2.404 431 Y HA 0.322 4.872 4.550 -0.001 0.000 0.344 431 Y C 1.559 177.556 175.900 0.162 0.000 0.970 431 Y CA -0.868 57.307 58.100 0.125 0.000 1.180 431 Y CB 0.880 39.438 38.460 0.163 0.000 1.138 431 Y HN 0.522 nan 8.280 nan 0.000 0.510 432 R N 1.045 121.725 120.500 0.300 0.000 2.120 432 R HA -0.077 4.262 4.340 -0.001 0.000 0.234 432 R C 0.004 176.458 176.300 0.257 0.000 1.123 432 R CA 0.979 57.221 56.100 0.237 0.000 0.975 432 R CB 0.183 30.588 30.300 0.176 0.000 0.866 432 R HN 0.504 nan 8.270 nan 0.000 0.446 433 S N -0.583 115.290 115.700 0.288 0.000 2.779 433 S HA 0.361 4.830 4.470 -0.001 0.000 0.293 433 S C -2.056 172.737 174.600 0.321 0.000 1.150 433 S CA -0.733 57.620 58.200 0.256 0.000 1.057 433 S CB 0.625 63.917 63.200 0.153 0.000 1.021 433 S HN 0.301 nan 8.310 nan 0.000 0.485 434 W N 6.511 127.902 121.300 0.152 0.000 2.998 434 W HA 0.618 5.277 4.660 -0.001 0.000 0.335 434 W C -2.903 173.721 176.519 0.176 0.000 1.110 434 W CA -1.625 55.767 57.345 0.079 0.000 1.230 434 W CB 1.582 31.070 29.460 0.046 0.000 1.405 434 W HN 0.462 nan 8.180 nan 0.000 0.493 435 P HA 0.227 nan 4.420 nan 0.000 0.278 435 P C 0.313 177.314 177.300 -0.498 0.000 1.258 435 P CA -0.234 62.122 63.100 -1.241 0.000 0.811 435 P CB 1.671 32.528 31.700 -1.406 0.000 1.063 436 S N -0.466 114.992 115.700 -0.403 0.000 2.501 436 S HA 0.136 4.605 4.470 -0.001 0.000 0.220 436 S C 0.576 175.069 174.600 -0.178 0.000 0.997 436 S CA 0.218 58.303 58.200 -0.190 0.000 0.919 436 S CB -0.702 62.435 63.200 -0.106 0.000 0.778 436 S HN 0.372 nan 8.310 nan 0.000 0.523 437 V N -0.345 119.426 119.914 -0.240 0.000 2.760 437 V HA 0.889 5.009 4.120 -0.001 0.000 0.309 437 V C -0.226 175.743 176.094 -0.208 0.000 1.077 437 V CA -0.814 61.380 62.300 -0.177 0.000 0.910 437 V CB 0.327 32.073 31.823 -0.128 0.000 1.008 437 V HN 0.839 nan 8.190 nan 0.000 0.424 438 C N 2.200 121.411 119.300 -0.150 0.000 3.263 438 C HA 0.564 5.023 4.460 -0.001 0.000 0.369 438 C C 1.123 176.068 174.990 -0.075 0.000 1.634 438 C CA 0.124 59.061 59.018 -0.135 0.000 1.143 438 C CB 1.114 28.749 27.740 -0.175 0.000 1.910 438 C HN 0.945 nan 8.230 nan 0.000 0.425 439 E N 1.441 121.611 120.200 -0.049 0.000 2.031 439 E HA 0.033 4.382 4.350 -0.001 0.000 0.193 439 E C 0.713 177.305 176.600 -0.014 0.000 0.994 439 E CA 2.109 58.505 56.400 -0.007 0.000 0.800 439 E CB -0.114 29.607 29.700 0.035 0.000 0.752 439 E HN 0.890 nan 8.360 nan 0.000 0.447 440 S N -0.836 114.849 115.700 -0.026 0.000 2.541 440 S HA 0.416 4.886 4.470 -0.001 0.000 0.271 440 S C -0.576 174.000 174.600 -0.039 0.000 1.133 440 S CA -0.830 57.355 58.200 -0.025 0.000 0.876 440 S CB 1.696 64.889 63.200 -0.012 0.000 1.105 440 S HN 0.277 nan 8.310 nan 0.000 0.470 441 N N -1.238 117.440 118.700 -0.036 0.000 2.780 441 N HA -0.126 4.613 4.740 -0.001 0.000 0.247 441 N C -0.789 174.687 175.510 -0.056 0.000 1.076 441 N CA 0.853 53.879 53.050 -0.041 0.000 0.688 441 N CB -1.923 36.540 38.487 -0.039 0.000 0.957 441 N HN 0.751 nan 8.380 nan 0.000 0.551 442 C N -1.737 117.529 119.300 -0.057 0.000 3.213 442 C HA 0.498 4.957 4.460 -0.001 0.000 0.319 442 C C 2.157 177.115 174.990 -0.052 0.000 1.386 442 C CA -0.361 58.615 59.018 -0.071 0.000 1.494 442 C CB 1.418 29.097 27.740 -0.103 0.000 1.905 442 C HN 0.544 nan 8.230 nan 0.000 0.456 443 T N 0.557 115.079 114.554 -0.052 0.000 2.867 443 T HA 0.159 4.508 4.350 -0.001 0.000 0.268 443 T C 0.666 175.345 174.700 -0.036 0.000 1.057 443 T CA 1.502 63.581 62.100 -0.035 0.000 1.136 443 T CB -0.148 68.704 68.868 -0.027 0.000 0.874 443 T HN 0.958 nan 8.240 nan 0.000 0.466 444 G N -0.731 108.039 108.800 -0.050 0.000 2.672 444 G HA2 0.601 4.560 3.960 -0.001 0.000 0.292 444 G HA3 0.601 4.560 3.960 -0.001 0.000 0.292 444 G C -0.345 174.523 174.900 -0.052 0.000 1.375 444 G CA -0.393 44.680 45.100 -0.045 0.000 0.890 444 G HN 0.309 nan 8.290 nan 0.000 0.476 445 G N -1.267 107.510 108.800 -0.039 0.000 2.543 445 G HA2 0.558 4.517 3.960 -0.001 0.000 0.290 445 G HA3 0.558 4.517 3.960 -0.001 0.000 0.290 445 G C -0.206 174.670 174.900 -0.040 0.000 1.310 445 G CA -0.813 44.266 45.100 -0.034 0.000 1.025 445 G HN 0.618 nan 8.290 nan 0.000 0.502 446 L N -0.434 120.770 121.223 -0.032 0.000 2.379 446 L HA 0.386 4.725 4.340 -0.001 0.000 0.269 446 L C 0.271 177.131 176.870 -0.018 0.000 1.084 446 L CA -0.536 54.284 54.840 -0.033 0.000 0.802 446 L CB 1.696 43.732 42.059 -0.038 0.000 1.175 446 L HN 0.333 nan 8.230 nan 0.000 0.448 447 T N 2.027 116.576 114.554 -0.007 0.000 2.749 447 T HA 0.365 4.714 4.350 -0.001 0.000 0.287 447 T C -2.523 172.191 174.700 0.025 0.000 0.970 447 T CA -1.406 60.706 62.100 0.020 0.000 0.980 447 T CB 1.189 70.062 68.868 0.009 0.000 0.924 447 T HN 0.267 nan 8.240 nan 0.000 0.456 448 P HA 0.315 nan 4.420 nan 0.000 0.281 448 P C -0.817 176.236 177.300 -0.412 0.000 1.252 448 P CA -0.769 62.130 63.100 -0.336 0.000 0.778 448 P CB 0.551 31.875 31.700 -0.626 0.000 0.895 449 L N 5.683 126.637 121.223 -0.448 0.000 2.321 449 L HA 0.378 4.717 4.340 -0.001 0.000 0.272 449 L C -1.026 175.562 176.870 -0.470 0.000 1.050 449 L CA -0.847 53.663 54.840 -0.549 0.000 0.893 449 L CB -0.707 41.027 42.059 -0.542 0.000 1.272 449 L HN 0.188 nan 8.230 nan 0.000 0.435 450 Y N 3.859 124.019 120.300 -0.235 0.000 2.511 450 Y HA 0.226 4.776 4.550 -0.001 0.000 0.332 450 Y C 0.291 176.028 175.900 -0.272 0.000 1.177 450 Y CA -0.075 57.888 58.100 -0.228 0.000 1.422 450 Y CB 0.337 38.659 38.460 -0.230 0.000 1.271 450 Y HN 0.377 nan 8.280 nan 0.000 0.550 451 L N 2.834 123.971 121.223 -0.142 0.000 2.371 451 L HA 0.575 4.914 4.340 -0.001 0.000 0.272 451 L C 0.358 177.056 176.870 -0.287 0.000 1.124 451 L CA 0.269 54.886 54.840 -0.371 0.000 0.816 451 L CB 0.658 42.323 42.059 -0.658 0.000 1.129 451 L HN 0.877 nan 8.230 nan 0.000 0.448 452 A N 2.011 124.642 122.820 -0.314 0.000 2.507 452 A HA 0.485 4.805 4.320 -0.001 0.000 0.284 452 A C -0.883 176.375 177.584 -0.543 0.000 1.281 452 A CA -0.672 51.148 52.037 -0.360 0.000 0.744 452 A CB 0.593 19.504 19.000 -0.147 0.000 1.332 452 A HN 0.574 nan 8.150 nan 0.000 0.454 453 D N -0.538 119.659 120.400 -0.340 0.000 2.362 453 D HA 0.389 5.028 4.640 -0.001 0.000 0.242 453 D C 1.125 177.353 176.300 -0.120 0.000 1.132 453 D CA 1.815 55.695 54.000 -0.201 0.000 0.907 453 D CB 0.777 41.566 40.800 -0.018 0.000 1.195 453 D HN 1.397 nan 8.370 nan 0.000 0.429 454 G N 2.673 111.417 108.800 -0.093 0.000 2.198 454 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.260 454 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.260 454 G C 0.415 175.347 174.900 0.053 0.000 1.025 454 G CA 0.599 45.699 45.100 0.001 0.000 0.769 454 G HN 0.851 nan 8.290 nan 0.000 0.507 455 H N -2.434 116.580 119.070 -0.094 0.000 2.713 455 H HA -0.160 4.396 4.556 -0.001 0.000 0.311 455 H C 1.304 176.626 175.328 -0.009 0.000 1.175 455 H CA 1.658 57.599 56.048 -0.177 0.000 1.143 455 H CB -1.436 28.137 29.762 -0.315 0.000 1.434 455 H HN 1.420 nan 8.280 nan 0.000 0.418 456 G N -0.119 108.747 108.800 0.110 0.000 2.552 456 G HA2 0.642 4.601 3.960 -0.001 0.000 0.324 456 G HA3 0.642 4.601 3.960 -0.001 0.000 0.324 456 G C -0.354 174.573 174.900 0.044 0.000 1.217 456 G CA -0.801 44.337 45.100 0.063 0.000 0.989 456 G HN 0.131 nan 8.290 nan 0.000 0.490 457 L N 0.467 121.672 121.223 -0.029 0.000 2.438 457 L HA 0.599 4.938 4.340 -0.001 0.000 0.270 457 L C -0.302 176.469 176.870 -0.165 0.000 0.972 457 L CA -0.507 54.261 54.840 -0.120 0.000 0.831 457 L CB 2.277 44.246 42.059 -0.151 0.000 1.273 457 L HN 0.582 nan 8.230 nan 0.000 0.405 458 S N 0.917 116.510 115.700 -0.178 0.000 2.588 458 S HA 0.541 5.010 4.470 -0.001 0.000 0.275 458 S C 0.009 174.521 174.600 -0.147 0.000 1.130 458 S CA -0.428 57.690 58.200 -0.138 0.000 0.855 458 S CB 1.227 64.421 63.200 -0.009 0.000 1.116 458 S HN 0.430 nan 8.310 nan 0.000 0.472 459 F N 1.505 121.490 119.950 0.059 0.000 2.789 459 F HA 0.181 4.708 4.527 -0.001 0.000 0.300 459 F C 1.465 177.386 175.800 0.203 0.000 1.132 459 F CA 0.345 58.395 58.000 0.083 0.000 1.404 459 F CB 0.063 39.081 39.000 0.030 0.000 1.114 459 F HN 0.346 nan 8.300 nan 0.000 0.584 460 T N -0.381 114.351 114.554 0.297 0.000 2.882 460 T HA 0.078 4.427 4.350 -0.001 0.000 0.287 460 T C -0.139 174.639 174.700 0.131 0.000 0.992 460 T CA -0.457 61.770 62.100 0.212 0.000 1.076 460 T CB 0.781 69.725 68.868 0.128 0.000 0.961 460 T HN 0.020 nan 8.240 nan 0.000 0.490 461 H N 3.098 122.114 119.070 -0.090 0.000 2.928 461 H HA 0.113 4.668 4.556 -0.001 0.000 0.338 461 H C -2.124 173.083 175.328 -0.201 0.000 1.047 461 H CA -1.222 54.599 56.048 -0.378 0.000 1.435 461 H CB 0.561 30.114 29.762 -0.348 0.000 1.428 461 H HN 0.308 nan 8.280 nan 0.000 0.590 462 P HA 0.015 nan 4.420 nan 0.000 0.266 462 P C -0.152 177.166 177.300 0.031 0.000 1.195 462 P CA 0.011 63.069 63.100 -0.071 0.000 0.768 462 P CB 0.602 32.251 31.700 -0.086 0.000 0.838 463 A N 2.146 124.979 122.820 0.022 0.000 2.169 463 A HA 0.407 4.727 4.320 -0.001 0.000 0.212 463 A C 0.915 178.509 177.584 0.016 0.000 1.153 463 A CA 1.109 53.158 52.037 0.021 0.000 0.756 463 A CB -0.353 18.655 19.000 0.012 0.000 0.813 463 A HN 0.612 nan 8.150 nan 0.000 0.471 464 A N -0.407 122.427 122.820 0.024 0.000 2.422 464 A HA 0.533 4.853 4.320 -0.001 0.000 0.302 464 A C -1.247 176.323 177.584 -0.022 0.000 1.041 464 A CA -0.559 51.483 52.037 0.008 0.000 0.708 464 A CB 0.830 19.839 19.000 0.014 0.000 1.257 464 A HN 0.131 nan 8.150 nan 0.000 0.414 465 D N 0.775 121.136 120.400 -0.065 0.000 2.351 465 D HA 0.535 5.174 4.640 -0.001 0.000 0.251 465 D C 0.388 176.509 176.300 -0.297 0.000 1.137 465 D CA 1.508 55.421 54.000 -0.144 0.000 0.879 465 D CB 1.494 42.267 40.800 -0.045 0.000 1.181 465 D HN 0.953 nan 8.370 nan 0.000 0.448 466 G N 0.400 108.768 108.800 -0.720 0.000 2.349 466 G HA2 0.577 4.536 3.960 -0.001 0.000 0.294 466 G HA3 0.577 4.536 3.960 -0.001 0.000 0.294 466 G C -1.989 172.187 174.900 -1.207 0.000 1.380 466 G CA -0.051 44.591 45.100 -0.764 0.000 0.811 466 G HN 0.601 nan 8.290 nan 0.000 0.519 467 A N -0.252 122.232 122.820 -0.561 0.000 2.572 467 A HA 0.793 5.112 4.320 -0.001 0.000 0.295 467 A C -1.854 175.745 177.584 0.026 0.000 1.072 467 A CA -0.655 51.225 52.037 -0.262 0.000 0.691 467 A CB 1.943 20.886 19.000 -0.094 0.000 1.291 467 A HN 0.483 nan 8.150 nan 0.000 0.404 468 D N 1.385 121.885 120.400 0.167 0.000 2.308 468 D HA 0.519 5.159 4.640 -0.001 0.000 0.242 468 D C -0.528 175.909 176.300 0.229 0.000 1.059 468 D CA 0.092 54.205 54.000 0.190 0.000 0.830 468 D CB 1.940 42.853 40.800 0.189 0.000 1.161 468 D HN 0.301 nan 8.370 nan 0.000 0.494 469 S N 1.291 117.104 115.700 0.187 0.000 2.541 469 S HA 0.570 5.039 4.470 -0.001 0.000 0.283 469 S C -0.684 174.070 174.600 0.256 0.000 1.196 469 S CA -0.698 57.605 58.200 0.173 0.000 1.062 469 S CB 0.654 63.914 63.200 0.100 0.000 1.009 469 S HN 0.453 nan 8.310 nan 0.000 0.502 470 Y N -0.799 119.579 120.300 0.130 0.000 2.479 470 Y HA 0.700 5.250 4.550 -0.001 0.000 0.338 470 Y C -1.350 174.610 175.900 0.100 0.000 1.055 470 Y CA -1.297 56.869 58.100 0.110 0.000 1.023 470 Y CB 0.283 38.815 38.460 0.120 0.000 1.287 470 Y HN 0.266 nan 8.280 nan 0.000 0.447 471 V N 3.578 123.592 119.914 0.168 0.000 2.461 471 V HA 0.347 4.467 4.120 -0.001 0.000 0.275 471 V C 0.021 176.200 176.094 0.141 0.000 1.047 471 V CA -0.203 62.145 62.300 0.081 0.000 0.955 471 V CB 1.323 33.192 31.823 0.075 0.000 0.988 471 V HN 0.838 nan 8.190 nan 0.000 0.471 472 S N 3.657 119.393 115.700 0.060 0.000 2.474 472 S HA 0.277 4.746 4.470 -0.001 0.000 0.320 472 S C -0.607 174.036 174.600 0.072 0.000 1.067 472 S CA -0.714 57.542 58.200 0.095 0.000 1.127 472 S CB 0.332 63.547 63.200 0.026 0.000 0.971 472 S HN 0.832 nan 8.310 nan 0.000 0.472 473 D N 5.426 125.889 120.400 0.105 0.000 2.373 473 D HA 0.445 5.085 4.640 -0.001 0.000 0.227 473 D C -1.756 174.595 176.300 0.086 0.000 1.091 473 D CA -2.286 51.780 54.000 0.110 0.000 0.840 473 D CB 1.789 42.688 40.800 0.165 0.000 1.060 473 D HN 0.221 nan 8.370 nan 0.000 0.502 474 P HA -0.022 nan 4.420 nan 0.000 0.225 474 P C 0.761 177.971 177.300 -0.150 0.000 1.148 474 P CA 0.662 63.753 63.100 -0.016 0.000 0.779 474 P CB 0.273 32.038 31.700 0.107 0.000 0.780 475 A N -1.403 121.349 122.820 -0.112 0.000 2.119 475 A HA -0.084 4.235 4.320 -0.001 0.000 0.216 475 A C 0.385 177.677 177.584 -0.488 0.000 1.152 475 A CA 1.046 52.912 52.037 -0.286 0.000 0.708 475 A CB -1.002 17.863 19.000 -0.225 0.000 0.805 475 A HN 0.269 nan 8.150 nan 0.000 0.460 476 H N -0.488 118.571 119.070 -0.019 0.000 2.429 476 H HA 0.286 4.841 4.556 -0.001 0.000 0.231 476 H C -2.814 172.559 175.328 0.075 0.000 1.416 476 H CA -1.646 54.437 56.048 0.058 0.000 1.443 476 H CB 0.658 30.462 29.762 0.070 0.000 1.591 476 H HN 0.268 nan 8.280 nan 0.000 0.507 477 P HA 0.022 nan 4.420 nan 0.000 0.274 477 P C 0.045 177.535 177.300 0.316 0.000 1.237 477 P CA -0.395 62.764 63.100 0.098 0.000 0.793 477 P CB 1.592 33.169 31.700 -0.205 0.000 0.977 478 V N 3.295 123.389 119.914 0.301 0.000 2.470 478 V HA 0.143 4.262 4.120 -0.001 0.000 0.276 478 V C -1.980 174.393 176.094 0.465 0.000 1.040 478 V CA -1.516 60.979 62.300 0.325 0.000 1.008 478 V CB 0.103 32.073 31.823 0.246 0.000 0.990 478 V HN 0.540 nan 8.190 nan 0.000 0.477 479 P HA 0.088 nan 4.420 nan 0.000 0.271 479 P C 0.496 177.984 177.300 0.314 0.000 1.220 479 P CA -0.268 63.062 63.100 0.383 0.000 0.768 479 P CB 0.336 32.097 31.700 0.102 0.000 0.848 480 F N 4.693 124.671 119.950 0.046 0.000 2.293 480 F HA 0.094 4.620 4.527 -0.001 0.000 0.300 480 F C 0.548 176.250 175.800 -0.162 0.000 1.086 480 F CA 0.328 58.220 58.000 -0.180 0.000 1.375 480 F CB -0.715 37.748 39.000 -0.895 0.000 1.045 480 F HN 0.152 nan 8.300 nan 0.000 0.516 481 I N -3.403 116.664 120.570 -0.838 0.000 3.004 481 I HA 0.469 4.638 4.170 -0.001 0.000 0.305 481 I C -0.218 175.641 176.117 -0.429 0.000 1.312 481 I CA -1.429 59.471 61.300 -0.665 0.000 0.992 481 I CB 1.636 39.048 38.000 -0.980 0.000 1.282 481 I HN -0.273 nan 8.210 nan 0.000 0.449 482 S N 2.112 117.658 115.700 -0.257 0.000 2.573 482 S HA 0.093 4.563 4.470 -0.001 0.000 0.297 482 S C 0.212 174.727 174.600 -0.142 0.000 1.280 482 S CA -0.165 57.937 58.200 -0.165 0.000 1.061 482 S CB -0.038 63.093 63.200 -0.115 0.000 0.812 482 S HN 0.465 nan 8.310 nan 0.000 0.500 483 R N 2.650 123.076 120.500 -0.123 0.000 2.490 483 R HA 0.359 4.699 4.340 -0.001 0.000 0.278 483 R C -2.031 174.238 176.300 -0.053 0.000 1.069 483 R CA -1.334 54.711 56.100 -0.093 0.000 1.080 483 R CB 0.148 30.339 30.300 -0.182 0.000 1.030 483 R HN 0.453 nan 8.270 nan 0.000 0.491 484 P HA 0.282 nan 4.420 nan 0.000 0.284 484 P C -1.400 175.946 177.300 0.076 0.000 1.258 484 P CA -0.357 62.752 63.100 0.015 0.000 0.824 484 P CB 0.810 32.514 31.700 0.006 0.000 1.038 485 F N 0.735 120.627 119.950 -0.096 0.000 2.581 485 F HA 0.653 5.180 4.527 -0.001 0.000 0.311 485 F C -1.663 174.032 175.800 -0.174 0.000 1.113 485 F CA -0.638 57.269 58.000 -0.155 0.000 0.935 485 F CB 1.864 40.717 39.000 -0.246 0.000 1.232 485 F HN 0.557 nan 8.300 nan 0.000 0.445 486 A N 4.804 126.901 122.820 -1.205 0.000 2.386 486 A HA 0.576 4.895 4.320 -0.001 0.000 0.311 486 A C -0.519 176.213 177.584 -1.420 0.000 1.068 486 A CA -0.571 50.888 52.037 -0.963 0.000 0.743 486 A CB 0.515 19.274 19.000 -0.402 0.000 1.258 486 A HN 0.775 nan 8.150 nan 0.000 0.429 487 F N 1.452 120.919 119.950 -0.805 0.000 2.408 487 F HA -0.093 4.433 4.527 -0.001 0.000 0.300 487 F C 2.461 178.038 175.800 -0.371 0.000 1.090 487 F CA 1.904 59.550 58.000 -0.591 0.000 1.427 487 F CB -0.145 38.601 39.000 -0.424 0.000 1.070 487 F HN 0.645 nan 8.300 nan 0.000 0.549 488 A N -0.745 121.986 122.820 -0.148 0.000 2.119 488 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 488 A C 1.295 178.850 177.584 -0.048 0.000 1.153 488 A CA 0.259 52.256 52.037 -0.068 0.000 0.692 488 A CB -0.588 18.381 19.000 -0.051 0.000 0.799 488 A HN 0.355 nan 8.150 nan 0.000 0.458 489 Q N 1.034 120.771 119.800 -0.105 0.000 2.641 489 Q HA 0.185 4.524 4.340 -0.001 0.000 0.225 489 Q C 0.692 176.802 176.000 0.183 0.000 1.309 489 Q CA -0.137 55.673 55.803 0.013 0.000 0.935 489 Q CB 0.177 28.904 28.738 -0.017 0.000 1.557 489 Q HN 0.580 nan 8.270 nan 0.000 0.563 490 S N 0.295 116.096 115.700 0.168 0.000 2.399 490 S HA -0.203 4.266 4.470 -0.001 0.000 0.231 490 S C 2.026 176.775 174.600 0.247 0.000 1.022 490 S CA 1.424 59.779 58.200 0.257 0.000 0.983 490 S CB -0.080 63.221 63.200 0.169 0.000 0.803 490 S HN 0.729 nan 8.310 nan 0.000 0.480 491 S N 1.728 117.522 115.700 0.157 0.000 2.447 491 S HA 0.018 4.488 4.470 -0.001 0.000 0.233 491 S C 1.734 176.412 174.600 0.130 0.000 1.006 491 S CA 0.440 58.706 58.200 0.110 0.000 0.957 491 S CB -0.200 63.037 63.200 0.063 0.000 0.773 491 S HN 0.440 nan 8.310 nan 0.000 0.507 492 R N -0.807 119.818 120.500 0.209 0.000 2.175 492 R HA 0.153 4.492 4.340 -0.001 0.000 0.202 492 R C 2.095 178.548 176.300 0.256 0.000 1.018 492 R CA 0.612 56.831 56.100 0.197 0.000 1.029 492 R CB -0.329 30.118 30.300 0.245 0.000 0.959 492 R HN 0.675 nan 8.270 nan 0.000 0.480 493 W N 2.818 124.260 121.300 0.237 0.000 2.379 493 W HA -0.154 4.506 4.660 -0.001 0.000 0.307 493 W C 1.146 177.835 176.519 0.284 0.000 1.200 493 W CA 1.224 58.730 57.345 0.268 0.000 1.297 493 W CB -0.010 29.666 29.460 0.359 0.000 1.140 493 W HN -0.063 nan 8.180 nan 0.000 0.507 494 K N 0.131 120.563 120.400 0.053 0.000 2.015 494 K HA -0.198 4.122 4.320 -0.001 0.000 0.216 494 K C -1.034 175.480 176.600 -0.144 0.000 1.052 494 K CA 2.221 58.453 56.287 -0.092 0.000 0.937 494 K CB -1.517 31.008 32.500 0.042 0.000 0.719 494 K HN 0.151 nan 8.250 nan 0.000 0.446 495 P HA -0.032 nan 4.420 nan 0.000 0.254 495 P C 0.336 177.534 177.300 -0.169 0.000 1.620 495 P CA -0.175 62.838 63.100 -0.146 0.000 1.050 495 P CB -0.584 31.054 31.700 -0.104 0.000 1.539 496 W N 0.416 121.544 121.300 -0.288 0.000 2.342 496 W HA -0.135 4.524 4.660 -0.001 0.000 0.297 496 W C 0.611 176.997 176.519 -0.223 0.000 1.213 496 W CA 0.324 57.493 57.345 -0.293 0.000 1.251 496 W CB -1.424 27.828 29.460 -0.346 0.000 1.136 496 W HN -0.135 nan 8.180 nan 0.000 0.526 497 L N 1.913 122.524 121.223 -1.021 0.000 2.353 497 L HA -0.176 4.164 4.340 -0.001 0.000 0.220 497 L C 2.341 178.907 176.870 -0.507 0.000 1.133 497 L CA 1.360 55.638 54.840 -0.937 0.000 0.798 497 L CB -0.537 41.120 42.059 -0.671 0.000 0.922 497 L HN 0.038 nan 8.230 nan 0.000 0.445 498 V N -4.851 114.757 119.914 -0.510 0.000 3.621 498 V HA 0.152 4.272 4.120 -0.001 0.000 0.285 498 V C 0.983 177.007 176.094 -0.116 0.000 1.346 498 V CA -0.388 61.630 62.300 -0.470 0.000 1.104 498 V CB -0.248 31.119 31.823 -0.761 0.000 0.913 498 V HN 0.142 nan 8.190 nan 0.000 0.432 499 Q N 1.895 121.651 119.800 -0.073 0.000 2.432 499 Q HA 0.178 4.518 4.340 -0.001 0.000 0.264 499 Q C -0.125 175.843 176.000 -0.052 0.000 1.035 499 Q CA 0.301 56.110 55.803 0.010 0.000 0.908 499 Q CB 0.541 29.270 28.738 -0.014 0.000 1.280 499 Q HN 0.532 nan 8.270 nan 0.000 0.455 500 D N 1.521 121.746 120.400 -0.292 0.000 2.458 500 D HA -0.070 4.569 4.640 -0.001 0.000 0.243 500 D C 0.085 176.219 176.300 -0.277 0.000 1.146 500 D CA 0.251 53.831 54.000 -0.699 0.000 0.877 500 D CB 0.718 40.981 40.800 -0.895 0.000 1.176 500 D HN 0.184 nan 8.370 nan 0.000 0.461 501 Q N 3.320 123.004 119.800 -0.193 0.000 2.212 501 Q HA 0.108 4.447 4.340 -0.001 0.000 0.213 501 Q C 1.290 177.250 176.000 -0.067 0.000 0.874 501 Q CA -0.073 55.701 55.803 -0.049 0.000 0.965 501 Q CB 0.291 29.052 28.738 0.039 0.000 1.074 501 Q HN 0.484 nan 8.270 nan 0.000 0.473 502 R N 0.393 120.814 120.500 -0.131 0.000 2.148 502 R HA -0.068 4.271 4.340 -0.001 0.000 0.223 502 R C 1.866 178.123 176.300 -0.072 0.000 1.088 502 R CA 0.712 56.750 56.100 -0.103 0.000 0.985 502 R CB 0.293 30.516 30.300 -0.129 0.000 0.880 502 R HN 0.338 nan 8.270 nan 0.000 0.451 503 E N 0.439 120.599 120.200 -0.067 0.000 2.077 503 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 503 E C 1.787 178.374 176.600 -0.021 0.000 0.989 503 E CA 1.219 57.592 56.400 -0.045 0.000 0.800 503 E CB 0.031 29.705 29.700 -0.044 0.000 0.746 503 E HN 0.336 nan 8.360 nan 0.000 0.452 504 A N 1.319 124.140 122.820 0.002 0.000 1.898 504 A HA -0.217 4.102 4.320 -0.001 0.000 0.216 504 A C 2.043 179.617 177.584 -0.018 0.000 1.181 504 A CA 1.585 53.634 52.037 0.021 0.000 0.620 504 A CB -0.571 18.470 19.000 0.068 0.000 0.819 504 A HN 0.408 nan 8.150 nan 0.000 0.442 505 E N 0.607 120.787 120.200 -0.034 0.000 2.118 505 E HA -0.199 4.150 4.350 -0.001 0.000 0.195 505 E C 1.983 178.540 176.600 -0.072 0.000 0.992 505 E CA 1.588 57.952 56.400 -0.061 0.000 0.804 505 E CB -0.123 29.539 29.700 -0.062 0.000 0.741 505 E HN 0.728 nan 8.360 nan 0.000 0.458 506 S N -0.115 115.551 115.700 -0.057 0.000 2.555 506 S HA -0.011 4.458 4.470 -0.001 0.000 0.230 506 S C 0.787 175.359 174.600 -0.046 0.000 0.978 506 S CA -0.070 58.097 58.200 -0.055 0.000 0.934 506 S CB -0.134 63.038 63.200 -0.047 0.000 0.766 506 S HN 0.105 nan 8.310 nan 0.000 0.533 507 R N 1.918 122.396 120.500 -0.037 0.000 2.404 507 R HA 0.335 4.674 4.340 -0.001 0.000 0.291 507 R C -1.827 174.459 176.300 -0.023 0.000 1.025 507 R CA -2.053 54.035 56.100 -0.020 0.000 0.991 507 R CB 0.429 30.731 30.300 0.003 0.000 1.053 507 R HN 0.136 nan 8.270 nan 0.000 0.479 508 P HA -0.091 nan 4.420 nan 0.000 0.233 508 P C -0.236 177.111 177.300 0.078 0.000 1.167 508 P CA 0.934 64.048 63.100 0.024 0.000 0.770 508 P CB 0.237 31.954 31.700 0.028 0.000 0.837 509 D N -0.561 119.884 120.400 0.075 0.000 2.358 509 D HA 0.104 4.744 4.640 -0.001 0.000 0.224 509 D C -0.053 176.225 176.300 -0.038 0.000 1.123 509 D CA -0.649 53.447 54.000 0.160 0.000 0.833 509 D CB -0.242 40.663 40.800 0.175 0.000 0.946 509 D HN -0.036 nan 8.370 nan 0.000 0.505 510 V N 0.555 120.360 119.914 -0.182 0.000 2.569 510 V HA 0.264 4.383 4.120 -0.001 0.000 0.301 510 V C -0.475 175.428 176.094 -0.318 0.000 1.044 510 V CA -1.148 60.952 62.300 -0.332 0.000 0.874 510 V CB 2.283 34.020 31.823 -0.143 0.000 1.002 510 V HN -0.004 nan 8.190 nan 0.000 0.424 511 V N 4.853 124.514 119.914 -0.423 0.000 2.439 511 V HA 0.664 4.783 4.120 -0.001 0.000 0.282 511 V C 0.167 176.189 176.094 -0.120 0.000 1.039 511 V CA 0.373 62.563 62.300 -0.184 0.000 0.913 511 V CB 2.065 33.890 31.823 0.003 0.000 0.983 511 V HN 1.037 nan 8.190 nan 0.000 0.460 512 T N 6.677 121.106 114.554 -0.207 0.000 2.841 512 T HA 0.659 5.008 4.350 -0.001 0.000 0.283 512 T C -1.460 173.064 174.700 -0.294 0.000 1.000 512 T CA -0.122 61.886 62.100 -0.154 0.000 0.977 512 T CB 1.178 69.965 68.868 -0.136 0.000 0.979 512 T HN 0.528 nan 8.240 nan 0.000 0.446 513 Y N 1.403 121.725 120.300 0.036 0.000 2.442 513 Y HA 0.551 5.100 4.550 -0.001 0.000 0.344 513 Y C 0.243 176.128 175.900 -0.025 0.000 0.976 513 Y CA -1.077 57.033 58.100 0.016 0.000 1.040 513 Y CB 1.923 40.364 38.460 -0.031 0.000 1.228 513 Y HN 0.715 nan 8.280 nan 0.000 0.451 514 E N -0.466 119.795 120.200 0.103 0.000 2.366 514 E HA 0.557 4.907 4.350 -0.001 0.000 0.278 514 E C -1.141 175.457 176.600 -0.003 0.000 0.923 514 E CA -1.238 55.179 56.400 0.028 0.000 0.761 514 E CB 1.913 31.622 29.700 0.015 0.000 1.231 514 E HN 0.508 nan 8.360 nan 0.000 0.443 515 T N -0.409 114.120 114.554 -0.043 0.000 2.770 515 T HA 0.253 4.602 4.350 -0.001 0.000 0.281 515 T C 0.397 175.090 174.700 -0.011 0.000 0.981 515 T CA -0.823 61.245 62.100 -0.052 0.000 0.955 515 T CB 0.774 69.585 68.868 -0.094 0.000 1.060 515 T HN 0.456 nan 8.240 nan 0.000 0.531 516 E N -0.007 120.193 120.200 0.002 0.000 2.376 516 E HA 0.269 4.618 4.350 -0.001 0.000 0.254 516 E C -0.138 176.481 176.600 0.032 0.000 1.213 516 E CA -0.563 55.847 56.400 0.018 0.000 0.945 516 E CB 0.752 30.466 29.700 0.024 0.000 1.057 516 E HN 0.456 nan 8.360 nan 0.000 0.479 517 V N 2.368 122.305 119.914 0.038 0.000 2.450 517 V HA -0.057 4.062 4.120 -0.001 0.000 0.281 517 V C 0.624 176.759 176.094 0.067 0.000 1.019 517 V CA 0.218 62.550 62.300 0.055 0.000 1.062 517 V CB -0.464 31.386 31.823 0.045 0.000 0.979 517 V HN 0.366 nan 8.190 nan 0.000 0.477 518 L N 5.461 126.739 121.223 0.092 0.000 2.540 518 L HA 0.069 4.408 4.340 -0.001 0.000 0.276 518 L C 1.168 178.091 176.870 0.088 0.000 1.212 518 L CA 0.189 55.088 54.840 0.099 0.000 0.893 518 L CB 0.120 42.258 42.059 0.131 0.000 1.138 518 L HN 0.633 nan 8.230 nan 0.000 0.491 519 D N 0.837 121.281 120.400 0.072 0.000 2.338 519 D HA 0.054 4.693 4.640 -0.001 0.000 0.208 519 D C 0.363 176.696 176.300 0.054 0.000 0.997 519 D CA 0.856 54.891 54.000 0.058 0.000 0.880 519 D CB 0.641 41.469 40.800 0.047 0.000 0.980 519 D HN 0.467 nan 8.370 nan 0.000 0.509 520 E N 0.947 121.183 120.200 0.059 0.000 2.293 520 E HA 0.322 4.671 4.350 -0.001 0.000 0.270 520 E C -2.464 174.173 176.600 0.062 0.000 0.879 520 E CA -1.928 54.501 56.400 0.048 0.000 0.756 520 E CB 2.655 32.375 29.700 0.034 0.000 1.208 520 E HN -0.050 nan 8.360 nan 0.000 0.428 521 P HA 0.146 nan 4.420 nan 0.000 0.271 521 P C -0.405 176.941 177.300 0.077 0.000 1.218 521 P CA -0.326 62.807 63.100 0.056 0.000 0.780 521 P CB 0.747 32.452 31.700 0.009 0.000 0.901 522 V N 4.448 124.451 119.914 0.149 0.000 2.378 522 V HA 0.325 4.444 4.120 -0.001 0.000 0.288 522 V C 0.670 176.895 176.094 0.219 0.000 1.016 522 V CA -0.640 61.772 62.300 0.187 0.000 0.840 522 V CB 1.103 33.086 31.823 0.267 0.000 0.994 522 V HN 0.459 nan 8.190 nan 0.000 0.431 523 R N 3.406 123.973 120.500 0.113 0.000 2.297 523 R HA 0.711 5.050 4.340 -0.001 0.000 0.308 523 R C -0.761 175.603 176.300 0.106 0.000 1.029 523 R CA -0.516 55.628 56.100 0.073 0.000 0.929 523 R CB 1.875 32.192 30.300 0.028 0.000 1.046 523 R HN 0.625 nan 8.270 nan 0.000 0.461 524 V N -1.057 118.921 119.914 0.107 0.000 2.588 524 V HA 0.662 4.781 4.120 -0.001 0.000 0.304 524 V C -0.429 175.709 176.094 0.074 0.000 1.042 524 V CA -0.652 61.718 62.300 0.117 0.000 0.877 524 V CB 1.996 33.949 31.823 0.216 0.000 0.996 524 V HN 0.681 nan 8.190 nan 0.000 0.425 525 S N 2.595 118.326 115.700 0.052 0.000 2.680 525 S HA 0.878 5.347 4.470 -0.001 0.000 0.262 525 S C -0.058 174.553 174.600 0.019 0.000 1.138 525 S CA 0.557 58.814 58.200 0.095 0.000 1.072 525 S CB 0.553 63.788 63.200 0.058 0.000 1.097 525 S HN 2.263 nan 8.310 nan 0.000 0.468 526 G N 1.890 110.743 108.800 0.087 0.000 2.356 526 G HA2 0.212 4.171 3.960 -0.001 0.000 0.266 526 G HA3 0.212 4.171 3.960 -0.001 0.000 0.266 526 G C -1.829 173.024 174.900 -0.078 0.000 1.312 526 G CA -0.205 44.768 45.100 -0.211 0.000 0.922 526 G HN 0.896 nan 8.290 nan 0.000 0.480 527 V N 2.697 122.508 119.914 -0.172 0.000 2.328 527 V HA 0.503 4.622 4.120 -0.001 0.000 0.278 527 V C -2.022 174.028 176.094 -0.074 0.000 1.021 527 V CA -1.120 61.124 62.300 -0.093 0.000 0.838 527 V CB 1.309 33.057 31.823 -0.125 0.000 0.999 527 V HN 0.532 nan 8.190 nan 0.000 0.447 528 P HA 0.291 nan 4.420 nan 0.000 0.275 528 P C -0.819 176.423 177.300 -0.097 0.000 1.227 528 P CA -0.143 62.927 63.100 -0.051 0.000 0.781 528 P CB 0.970 32.662 31.700 -0.013 0.000 0.906 529 V N 2.228 122.043 119.914 -0.164 0.000 2.487 529 V HA 0.556 4.675 4.120 -0.001 0.000 0.298 529 V C 0.241 176.082 176.094 -0.422 0.000 1.028 529 V CA -1.005 61.116 62.300 -0.298 0.000 0.860 529 V CB 1.490 33.122 31.823 -0.318 0.000 0.991 529 V HN 0.636 nan 8.190 nan 0.000 0.427 530 A N 2.848 125.284 122.820 -0.641 0.000 2.376 530 A HA 0.440 4.759 4.320 -0.001 0.000 0.298 530 A C -0.055 177.115 177.584 -0.691 0.000 1.271 530 A CA -0.086 51.522 52.037 -0.715 0.000 0.926 530 A CB -0.205 18.128 19.000 -1.111 0.000 1.141 530 A HN 0.843 nan 8.150 nan 0.000 0.539 531 D N 2.784 122.951 120.400 -0.388 0.000 2.518 531 D HA 0.396 5.035 4.640 -0.001 0.000 0.230 531 D C -0.773 175.446 176.300 -0.135 0.000 1.138 531 D CA -0.012 53.876 54.000 -0.187 0.000 0.964 531 D CB 0.213 41.020 40.800 0.011 0.000 1.011 531 D HN 0.387 nan 8.370 nan 0.000 0.517 532 L N 3.259 124.362 121.223 -0.199 0.000 2.295 532 L HA 0.552 4.891 4.340 -0.001 0.000 0.285 532 L C -1.361 175.416 176.870 -0.155 0.000 1.035 532 L CA -0.359 54.402 54.840 -0.133 0.000 0.806 532 L CB 0.676 42.632 42.059 -0.171 0.000 1.214 532 L HN 0.124 nan 8.230 nan 0.000 0.426 533 F N 5.322 125.286 119.950 0.024 0.000 2.359 533 F HA 0.695 5.221 4.527 -0.001 0.000 0.370 533 F C 0.323 176.102 175.800 -0.036 0.000 1.077 533 F CA -0.246 57.764 58.000 0.016 0.000 1.136 533 F CB 1.153 40.136 39.000 -0.028 0.000 1.387 533 F HN 0.626 nan 8.300 nan 0.000 0.468 534 A N 1.943 124.775 122.820 0.020 0.000 2.380 534 A HA 0.968 5.288 4.320 -0.001 0.000 0.315 534 A C -1.074 176.525 177.584 0.025 0.000 1.101 534 A CA -0.608 51.309 52.037 -0.201 0.000 0.771 534 A CB 1.277 19.603 19.000 -1.123 0.000 1.287 534 A HN 0.690 nan 8.150 nan 0.000 0.436 535 A N 0.284 123.167 122.820 0.104 0.000 2.401 535 A HA 0.875 5.194 4.320 -0.001 0.000 0.310 535 A C -0.302 177.474 177.584 0.320 0.000 1.075 535 A CA -0.255 51.912 52.037 0.215 0.000 0.746 535 A CB 1.655 20.741 19.000 0.143 0.000 1.277 535 A HN 1.384 nan 8.150 nan 0.000 0.425 536 T N -0.549 114.186 114.554 0.302 0.000 2.900 536 T HA 0.478 4.827 4.350 -0.001 0.000 0.295 536 T C 1.045 175.821 174.700 0.127 0.000 1.044 536 T CA 0.269 62.506 62.100 0.229 0.000 0.995 536 T CB 1.305 70.322 68.868 0.248 0.000 1.072 536 T HN 1.267 nan 8.240 nan 0.000 0.473 537 S N 1.926 117.670 115.700 0.074 0.000 2.527 537 S HA 0.283 4.753 4.470 -0.001 0.000 0.222 537 S C 1.183 175.812 174.600 0.048 0.000 0.985 537 S CA 0.121 58.353 58.200 0.054 0.000 0.921 537 S CB -0.187 63.035 63.200 0.037 0.000 0.772 537 S HN 0.894 nan 8.310 nan 0.000 0.529 538 G N 1.212 110.041 108.800 0.048 0.000 2.531 538 G HA2 0.429 4.388 3.960 -0.001 0.000 0.281 538 G HA3 0.429 4.388 3.960 -0.001 0.000 0.281 538 G C 0.557 175.493 174.900 0.059 0.000 1.382 538 G CA 0.122 45.246 45.100 0.041 0.000 1.045 538 G HN 0.355 nan 8.290 nan 0.000 0.533 539 T N -2.889 111.703 114.554 0.063 0.000 3.054 539 T HA 0.303 4.652 4.350 -0.001 0.000 0.255 539 T C -0.119 174.648 174.700 0.112 0.000 1.035 539 T CA 0.042 62.189 62.100 0.079 0.000 0.941 539 T CB 0.368 69.288 68.868 0.087 0.000 1.026 539 T HN 0.386 nan 8.240 nan 0.000 0.533 540 D N -0.462 119.995 120.400 0.095 0.000 2.622 540 D HA 0.667 5.306 4.640 -0.001 0.000 0.255 540 D C -1.561 174.734 176.300 -0.008 0.000 1.246 540 D CA -0.225 53.829 54.000 0.090 0.000 0.795 540 D CB 2.300 43.159 40.800 0.098 0.000 1.369 540 D HN 0.020 nan 8.370 nan 0.000 0.425 541 S N 0.204 115.854 115.700 -0.083 0.000 2.597 541 S HA 0.369 4.838 4.470 -0.001 0.000 0.274 541 S C -2.124 172.171 174.600 -0.508 0.000 1.132 541 S CA -0.711 57.273 58.200 -0.360 0.000 0.835 541 S CB 1.376 64.224 63.200 -0.586 0.000 1.092 541 S HN 0.390 nan 8.310 nan 0.000 0.457 542 D N 0.597 120.616 120.400 -0.633 0.000 2.252 542 D HA 0.603 5.243 4.640 -0.001 0.000 0.245 542 D C -1.410 174.466 176.300 -0.707 0.000 1.009 542 D CA 0.013 53.735 54.000 -0.463 0.000 0.870 542 D CB 0.926 41.597 40.800 -0.215 0.000 1.251 542 D HN 0.419 nan 8.370 nan 0.000 0.460 543 W N 1.700 122.953 121.300 -0.079 0.000 2.499 543 W HA 0.468 5.128 4.660 -0.001 0.000 0.320 543 W C -0.934 175.539 176.519 -0.076 0.000 1.010 543 W CA -0.914 56.381 57.345 -0.084 0.000 1.267 543 W CB 1.259 30.606 29.460 -0.188 0.000 1.316 543 W HN -0.050 nan 8.180 nan 0.000 0.431 544 V N 4.541 124.495 119.914 0.068 0.000 2.370 544 V HA 0.474 4.594 4.120 -0.001 0.000 0.279 544 V C -0.211 175.864 176.094 -0.032 0.000 1.029 544 V CA -0.939 61.251 62.300 -0.183 0.000 0.870 544 V CB 1.195 32.619 31.823 -0.665 0.000 0.984 544 V HN 0.275 nan 8.190 nan 0.000 0.451 545 V N 5.885 125.839 119.914 0.067 0.000 2.444 545 V HA 0.491 4.611 4.120 -0.001 0.000 0.294 545 V C -0.202 175.947 176.094 0.091 0.000 1.022 545 V CA -0.875 61.482 62.300 0.095 0.000 0.850 545 V CB 1.809 33.705 31.823 0.122 0.000 0.992 545 V HN 0.891 nan 8.190 nan 0.000 0.426 546 K N 4.831 125.278 120.400 0.078 0.000 2.292 546 K HA 0.671 4.990 4.320 -0.001 0.000 0.257 546 K C -1.211 175.457 176.600 0.112 0.000 0.940 546 K CA -0.866 55.499 56.287 0.131 0.000 0.811 546 K CB 2.677 35.270 32.500 0.156 0.000 1.120 546 K HN 0.443 nan 8.250 nan 0.000 0.428 547 L N 4.660 125.961 121.223 0.130 0.000 2.262 547 L HA 0.464 4.803 4.340 -0.001 0.000 0.288 547 L C -1.254 175.721 176.870 0.175 0.000 1.035 547 L CA -0.248 54.668 54.840 0.126 0.000 0.820 547 L CB 0.417 42.553 42.059 0.127 0.000 1.204 547 L HN 0.584 nan 8.230 nan 0.000 0.424 548 I N 3.720 124.396 120.570 0.176 0.000 2.603 548 I HA 0.368 4.537 4.170 -0.001 0.000 0.300 548 I C -0.798 175.512 176.117 0.323 0.000 1.017 548 I CA -0.598 60.828 61.300 0.210 0.000 1.098 548 I CB 1.984 40.074 38.000 0.151 0.000 1.279 548 I HN 0.516 nan 8.210 nan 0.000 0.437 549 D N 5.172 125.789 120.400 0.361 0.000 2.460 549 D HA 0.297 4.936 4.640 -0.001 0.000 0.232 549 D C -0.914 175.608 176.300 0.370 0.000 1.079 549 D CA -0.317 53.998 54.000 0.526 0.000 0.864 549 D CB 1.176 42.211 40.800 0.391 0.000 1.048 549 D HN 0.090 nan 8.370 nan 0.000 0.523 550 V N 4.912 125.007 119.914 0.302 0.000 2.455 550 V HA 0.130 4.250 4.120 -0.001 0.000 0.273 550 V C 0.793 176.959 176.094 0.119 0.000 1.045 550 V CA -0.587 61.821 62.300 0.180 0.000 0.976 550 V CB 0.913 32.801 31.823 0.107 0.000 0.993 550 V HN 0.516 nan 8.190 nan 0.000 0.475 551 Q N 5.336 125.160 119.800 0.040 0.000 2.492 551 Q HA 0.267 4.606 4.340 -0.001 0.000 0.238 551 Q C -2.233 173.604 176.000 -0.271 0.000 1.045 551 Q CA -1.955 53.710 55.803 -0.229 0.000 0.934 551 Q CB -0.060 28.644 28.738 -0.057 0.000 1.276 551 Q HN 0.442 nan 8.270 nan 0.000 0.521 552 P HA -0.063 nan 4.420 nan 0.000 0.266 552 P C 0.038 177.290 177.300 -0.081 0.000 1.193 552 P CA 0.470 63.460 63.100 -0.183 0.000 0.770 552 P CB 0.412 32.031 31.700 -0.136 0.000 0.836 553 A N 3.396 126.192 122.820 -0.039 0.000 2.009 553 A HA -0.161 4.158 4.320 -0.001 0.000 0.222 553 A C 0.921 178.495 177.584 -0.015 0.000 1.175 553 A CA 1.850 53.876 52.037 -0.019 0.000 0.651 553 A CB -0.621 18.373 19.000 -0.009 0.000 0.815 553 A HN 0.495 nan 8.150 nan 0.000 0.459 554 M N -0.589 119.000 119.600 -0.019 0.000 2.378 554 M HA 0.303 4.782 4.480 -0.001 0.000 0.289 554 M C -1.146 175.143 176.300 -0.018 0.000 1.136 554 M CA -0.103 55.189 55.300 -0.013 0.000 0.917 554 M CB 1.927 34.522 32.600 -0.007 0.000 1.669 554 M HN 0.225 nan 8.290 nan 0.000 0.461 555 T N -0.646 113.898 114.554 -0.017 0.000 3.150 555 T HA 0.409 4.758 4.350 -0.001 0.000 0.383 555 T C -2.002 172.689 174.700 -0.014 0.000 1.313 555 T CA -1.332 60.757 62.100 -0.018 0.000 1.235 555 T CB 0.713 69.564 68.868 -0.029 0.000 1.088 555 T HN 0.375 nan 8.240 nan 0.000 0.556 556 P HA -0.100 nan 4.420 nan 0.000 0.219 556 P C 0.564 177.858 177.300 -0.010 0.000 1.146 556 P CA 1.101 64.196 63.100 -0.008 0.000 0.808 556 P CB 0.257 31.955 31.700 -0.004 0.000 0.779 557 D N -0.824 119.569 120.400 -0.012 0.000 2.317 557 D HA -0.043 4.596 4.640 -0.001 0.000 0.211 557 D C 0.419 176.705 176.300 -0.023 0.000 0.966 557 D CA 1.202 55.193 54.000 -0.014 0.000 0.876 557 D CB -0.234 40.559 40.800 -0.012 0.000 0.927 557 D HN 0.189 nan 8.370 nan 0.000 0.519 558 D N -1.421 118.962 120.400 -0.028 0.000 2.823 558 D HA 0.140 4.779 4.640 -0.001 0.000 0.255 558 D C -2.036 174.245 176.300 -0.033 0.000 1.257 558 D CA -1.757 52.219 54.000 -0.040 0.000 0.803 558 D CB 1.176 41.939 40.800 -0.060 0.000 1.384 558 D HN -0.241 nan 8.370 nan 0.000 0.541 559 P HA -0.254 nan 4.420 nan 0.000 0.220 559 P C 1.360 178.657 177.300 -0.005 0.000 1.155 559 P CA 1.789 64.882 63.100 -0.013 0.000 0.880 559 P CB 0.106 31.800 31.700 -0.011 0.000 0.790 560 K N -1.185 119.211 120.400 -0.006 0.000 2.281 560 K HA -0.108 4.211 4.320 -0.001 0.000 0.203 560 K C 1.466 178.097 176.600 0.053 0.000 1.046 560 K CA 1.438 57.735 56.287 0.018 0.000 0.938 560 K CB -0.654 31.852 32.500 0.010 0.000 0.737 560 K HN 0.076 nan 8.250 nan 0.000 0.458 561 M N 1.609 121.209 119.600 0.000 0.000 2.659 561 M HA 0.094 4.573 4.480 -0.001 0.000 0.243 561 M C 0.716 177.048 176.300 0.054 0.000 1.111 561 M CA 0.225 55.521 55.300 -0.007 0.000 1.070 561 M CB -0.601 31.923 32.600 -0.127 0.000 1.525 561 M HN 0.215 nan 8.290 nan 0.000 0.517 562 G N 0.256 109.078 108.800 0.036 0.000 2.307 562 G HA2 0.339 4.298 3.960 -0.001 0.000 0.271 562 G HA3 0.339 4.298 3.960 -0.001 0.000 0.271 562 G C 1.114 176.037 174.900 0.040 0.000 1.191 562 G CA 0.391 45.504 45.100 0.021 0.000 1.024 562 G HN 0.692 nan 8.290 nan 0.000 0.441 563 G N 1.804 110.621 108.800 0.028 0.000 2.184 563 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.264 563 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.264 563 G C 0.506 175.444 174.900 0.063 0.000 0.975 563 G CA 0.540 45.656 45.100 0.027 0.000 0.642 563 G HN 1.079 nan 8.290 nan 0.000 0.536 564 Y N 1.910 122.191 120.300 -0.031 0.000 2.805 564 Y HA 0.303 4.852 4.550 -0.001 0.000 0.331 564 Y C 0.897 176.799 175.900 0.003 0.000 1.241 564 Y CA 0.906 58.994 58.100 -0.020 0.000 1.546 564 Y CB 0.429 38.871 38.460 -0.030 0.000 1.248 564 Y HN 0.337 nan 8.280 nan 0.000 0.559 565 E N 6.576 126.711 120.200 -0.108 0.000 2.026 565 E HA 0.143 4.492 4.350 -0.001 0.000 0.253 565 E C -1.186 175.461 176.600 0.080 0.000 1.056 565 E CA -0.563 55.842 56.400 0.007 0.000 0.927 565 E CB 0.184 29.854 29.700 -0.049 0.000 1.172 565 E HN 0.416 nan 8.360 nan 0.000 0.445 566 L N 4.659 126.068 121.223 0.309 0.000 2.315 566 L HA 0.284 4.624 4.340 -0.001 0.000 0.283 566 L C -2.498 174.495 176.870 0.205 0.000 1.089 566 L CA -1.854 53.174 54.840 0.314 0.000 0.833 566 L CB 0.346 42.579 42.059 0.290 0.000 1.170 566 L HN 0.125 nan 8.230 nan 0.000 0.442 567 P HA 0.119 nan 4.420 nan 0.000 0.287 567 P C 0.541 178.002 177.300 0.268 0.000 1.294 567 P CA -0.365 62.852 63.100 0.195 0.000 0.776 567 P CB 1.323 33.132 31.700 0.182 0.000 0.889 568 V N 0.822 120.844 119.914 0.180 0.000 3.174 568 V HA 0.189 4.308 4.120 -0.001 0.000 0.254 568 V C 0.696 176.813 176.094 0.039 0.000 1.120 568 V CA 0.763 63.118 62.300 0.092 0.000 1.114 568 V CB -0.415 31.284 31.823 -0.207 0.000 0.756 568 V HN 0.620 nan 8.190 nan 0.000 0.467 569 S N 1.109 116.875 115.700 0.110 0.000 2.584 569 S HA 0.734 5.204 4.470 -0.001 0.000 0.280 569 S C -1.034 173.680 174.600 0.190 0.000 1.162 569 S CA -0.668 57.598 58.200 0.110 0.000 0.951 569 S CB 1.322 64.561 63.200 0.065 0.000 1.108 569 S HN 0.667 nan 8.310 nan 0.000 0.464 570 M N 2.569 122.329 119.600 0.267 0.000 2.413 570 M HA 0.757 5.236 4.480 -0.001 0.000 0.287 570 M C -1.917 174.712 176.300 0.548 0.000 1.186 570 M CA -0.659 54.872 55.300 0.385 0.000 0.927 570 M CB 2.131 35.016 32.600 0.475 0.000 1.715 570 M HN 0.505 nan 8.290 nan 0.000 0.478 571 D N 1.041 121.760 120.400 0.532 0.000 2.615 571 D HA 0.698 5.338 4.640 -0.001 0.000 0.267 571 D C -1.965 174.585 176.300 0.417 0.000 1.236 571 D CA -0.376 54.007 54.000 0.639 0.000 0.839 571 D CB 3.164 44.374 40.800 0.684 0.000 1.380 571 D HN 0.850 nan 8.370 nan 0.000 0.433 572 I N 1.097 121.886 120.570 0.365 0.000 2.646 572 I HA 0.608 4.777 4.170 -0.001 0.000 0.299 572 I C -1.557 174.587 176.117 0.045 0.000 1.036 572 I CA -0.907 60.427 61.300 0.058 0.000 1.074 572 I CB 1.458 39.341 38.000 -0.194 0.000 1.258 572 I HN 0.274 nan 8.210 nan 0.000 0.430 573 F N 6.801 126.574 119.950 -0.296 0.000 2.507 573 F HA 0.509 5.035 4.527 -0.001 0.000 0.328 573 F C -0.329 175.400 175.800 -0.119 0.000 1.136 573 F CA -0.749 57.003 58.000 -0.414 0.000 0.930 573 F CB 1.188 39.453 39.000 -1.225 0.000 1.166 573 F HN 0.393 nan 8.300 nan 0.000 0.436 574 R N 3.975 124.263 120.500 -0.353 0.000 2.248 574 R HA 0.272 4.612 4.340 -0.001 0.000 0.337 574 R C 1.434 177.750 176.300 0.026 0.000 1.085 574 R CA 0.688 56.734 56.100 -0.091 0.000 0.934 574 R CB 0.539 30.884 30.300 0.075 0.000 1.034 574 R HN 0.996 nan 8.270 nan 0.000 0.465 575 G N 4.953 113.893 108.800 0.233 0.000 2.596 575 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.223 575 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.223 575 G C 1.276 176.396 174.900 0.367 0.000 1.120 575 G CA 1.194 46.612 45.100 0.529 0.000 0.752 575 G HN 0.784 nan 8.290 nan 0.000 0.596 576 R N -0.724 119.818 120.500 0.069 0.000 2.193 576 R HA -0.075 4.264 4.340 -0.001 0.000 0.229 576 R C 1.146 177.359 176.300 -0.146 0.000 1.110 576 R CA 1.296 57.349 56.100 -0.078 0.000 0.988 576 R CB -0.538 29.663 30.300 -0.166 0.000 0.871 576 R HN 0.453 nan 8.270 nan 0.000 0.458 577 Y N 0.808 121.228 120.300 0.201 0.000 2.583 577 Y HA 0.307 4.856 4.550 -0.001 0.000 0.294 577 Y C 2.115 178.094 175.900 0.131 0.000 1.170 577 Y CA -0.820 57.374 58.100 0.158 0.000 1.265 577 Y CB -0.158 38.469 38.460 0.278 0.000 1.119 577 Y HN 0.009 nan 8.280 nan 0.000 0.522 578 R N 0.908 121.627 120.500 0.366 0.000 2.083 578 R HA -0.209 4.131 4.340 -0.001 0.000 0.237 578 R C 1.631 177.934 176.300 0.005 0.000 1.137 578 R CA 1.963 58.223 56.100 0.267 0.000 0.951 578 R CB 0.156 30.500 30.300 0.074 0.000 0.851 578 R HN 0.262 nan 8.270 nan 0.000 0.434 579 K N -0.879 119.511 120.400 -0.016 0.000 2.067 579 K HA -0.023 4.296 4.320 -0.001 0.000 0.203 579 K C 0.078 176.641 176.600 -0.061 0.000 1.048 579 K CA 0.975 57.230 56.287 -0.054 0.000 0.954 579 K CB 0.210 32.687 32.500 -0.038 0.000 0.737 579 K HN 0.056 nan 8.250 nan 0.000 0.444 580 D N -1.825 118.567 120.400 -0.013 0.000 2.879 580 D HA 0.137 4.776 4.640 -0.001 0.000 0.236 580 D C -0.225 176.155 176.300 0.133 0.000 1.171 580 D CA -0.548 53.464 54.000 0.021 0.000 0.868 580 D CB 1.055 41.904 40.800 0.081 0.000 1.598 580 D HN -0.193 nan 8.370 nan 0.000 0.497 581 F N 1.669 121.764 119.950 0.241 0.000 2.367 581 F HA 0.143 4.669 4.527 -0.001 0.000 0.298 581 F C 2.277 178.101 175.800 0.041 0.000 1.094 581 F CA 0.879 58.972 58.000 0.155 0.000 1.409 581 F CB -0.256 38.749 39.000 0.008 0.000 1.064 581 F HN 0.500 nan 8.300 nan 0.000 0.528 582 A N -0.862 122.112 122.820 0.257 0.000 2.030 582 A HA 0.041 4.360 4.320 -0.001 0.000 0.215 582 A C 1.015 178.708 177.584 0.183 0.000 1.164 582 A CA 0.519 52.638 52.037 0.136 0.000 0.697 582 A CB -0.097 18.951 19.000 0.081 0.000 0.827 582 A HN 0.066 nan 8.150 nan 0.000 0.457 583 K N 1.573 122.100 120.400 0.213 0.000 2.530 583 K HA 0.305 4.624 4.320 -0.001 0.000 0.230 583 K C -3.029 173.699 176.600 0.213 0.000 1.002 583 K CA -1.909 54.489 56.287 0.185 0.000 1.014 583 K CB 1.606 34.174 32.500 0.113 0.000 1.286 583 K HN 0.192 nan 8.250 nan 0.000 0.480 584 P HA 0.064 nan 4.420 nan 0.000 0.268 584 P C -0.658 176.719 177.300 0.128 0.000 1.205 584 P CA 0.181 63.385 63.100 0.174 0.000 0.771 584 P CB 1.003 32.807 31.700 0.174 0.000 0.858 585 E N 0.370 120.541 120.200 -0.049 0.000 2.356 585 E HA 0.555 4.904 4.350 -0.001 0.000 0.275 585 E C -0.878 175.324 176.600 -0.664 0.000 0.904 585 E CA -1.099 55.084 56.400 -0.362 0.000 0.757 585 E CB 2.229 31.818 29.700 -0.185 0.000 1.232 585 E HN 0.484 nan 8.360 nan 0.000 0.442 586 A N 3.273 125.410 122.820 -1.139 0.000 2.445 586 A HA 0.341 4.660 4.320 -0.001 0.000 0.242 586 A C -0.272 177.141 177.584 -0.285 0.000 1.075 586 A CA -0.077 51.466 52.037 -0.823 0.000 0.777 586 A CB 0.144 18.710 19.000 -0.723 0.000 1.013 586 A HN 0.544 nan 8.150 nan 0.000 0.493 587 L N 1.378 122.543 121.223 -0.096 0.000 2.375 587 L HA 0.284 4.623 4.340 -0.001 0.000 0.271 587 L C 0.686 177.560 176.870 0.007 0.000 1.107 587 L CA -0.339 54.507 54.840 0.009 0.000 0.806 587 L CB 0.839 42.978 42.059 0.134 0.000 1.146 587 L HN 0.779 nan 8.230 nan 0.000 0.447 588 Q N 2.868 122.677 119.800 0.017 0.000 2.293 588 Q HA 0.207 4.547 4.340 -0.001 0.000 0.263 588 Q C -2.224 173.803 176.000 0.046 0.000 1.002 588 Q CA -1.661 54.151 55.803 0.015 0.000 0.910 588 Q CB 0.988 29.729 28.738 0.004 0.000 1.185 588 Q HN 0.264 nan 8.270 nan 0.000 0.401 589 P HA -0.109 nan 4.420 nan 0.000 0.264 589 P C -0.772 176.559 177.300 0.051 0.000 1.193 589 P CA 0.419 63.549 63.100 0.051 0.000 0.763 589 P CB 0.514 32.236 31.700 0.037 0.000 0.810 590 D N -0.927 119.513 120.400 0.067 0.000 3.059 590 D HA -0.212 4.427 4.640 -0.001 0.000 0.213 590 D C 0.095 176.430 176.300 0.059 0.000 1.144 590 D CA 1.394 55.431 54.000 0.063 0.000 0.975 590 D CB -1.199 39.628 40.800 0.044 0.000 1.125 590 D HN 0.534 nan 8.370 nan 0.000 0.412 591 A N 0.646 123.503 122.820 0.062 0.000 2.290 591 A HA 0.506 4.826 4.320 -0.001 0.000 0.310 591 A C 0.514 178.136 177.584 0.064 0.000 1.202 591 A CA -0.126 51.938 52.037 0.045 0.000 0.837 591 A CB 0.887 19.902 19.000 0.026 0.000 1.139 591 A HN -0.001 nan 8.150 nan 0.000 0.509 592 T N 3.852 118.429 114.554 0.038 0.000 2.738 592 T HA 0.410 4.759 4.350 -0.001 0.000 0.293 592 T C -0.035 174.704 174.700 0.065 0.000 0.913 592 T CA 0.558 62.691 62.100 0.056 0.000 1.103 592 T CB -0.648 68.205 68.868 -0.024 0.000 0.880 592 T HN 0.410 nan 8.240 nan 0.000 0.526 593 L N 2.700 123.962 121.223 0.065 0.000 2.331 593 L HA 0.438 4.777 4.340 -0.001 0.000 0.275 593 L C 0.572 177.330 176.870 -0.187 0.000 1.022 593 L CA -1.067 53.726 54.840 -0.078 0.000 0.812 593 L CB 1.401 43.342 42.059 -0.197 0.000 1.257 593 L HN 0.629 nan 8.230 nan 0.000 0.435 594 H N 1.732 120.548 119.070 -0.423 0.000 2.723 594 H HA 0.296 4.852 4.556 -0.001 0.000 0.294 594 H C -1.493 173.434 175.328 -0.669 0.000 1.079 594 H CA -0.500 55.172 56.048 -0.626 0.000 1.411 594 H CB 0.513 29.980 29.762 -0.492 0.000 1.439 594 H HN 0.414 nan 8.280 nan 0.000 0.474 595 Y N 3.308 123.368 120.300 -0.400 0.000 2.341 595 Y HA 0.182 4.731 4.550 -0.001 0.000 0.338 595 Y C -0.359 175.269 175.900 -0.453 0.000 0.965 595 Y CA -0.760 57.086 58.100 -0.423 0.000 1.108 595 Y CB 1.358 39.616 38.460 -0.336 0.000 1.180 595 Y HN 0.683 nan 8.280 nan 0.000 0.458 596 H N 4.691 123.518 119.070 -0.405 0.000 3.078 596 H HA 0.527 5.082 4.556 -0.001 0.000 0.319 596 H C -1.689 173.548 175.328 -0.152 0.000 0.995 596 H CA -1.011 54.819 56.048 -0.364 0.000 1.417 596 H CB 0.438 29.941 29.762 -0.431 0.000 1.598 596 H HN 0.482 nan 8.280 nan 0.000 0.515 597 F N 1.224 120.920 119.950 -0.424 0.000 2.619 597 F HA 0.516 5.042 4.527 -0.001 0.000 0.308 597 F C -0.552 175.202 175.800 -0.076 0.000 1.097 597 F CA -1.188 56.672 58.000 -0.234 0.000 0.953 597 F CB 0.713 39.381 39.000 -0.553 0.000 1.287 597 F HN 0.350 nan 8.300 nan 0.000 0.446 598 T N 1.105 115.850 114.554 0.318 0.000 2.913 598 T HA 0.679 5.029 4.350 -0.001 0.000 0.297 598 T C -0.374 174.557 174.700 0.385 0.000 1.029 598 T CA -0.526 61.717 62.100 0.238 0.000 1.104 598 T CB 1.027 70.053 68.868 0.263 0.000 0.964 598 T HN 0.727 nan 8.240 nan 0.000 0.532 599 L N 2.057 123.398 121.223 0.197 0.000 2.313 599 L HA 0.541 4.880 4.340 -0.001 0.000 0.268 599 L C -2.274 174.703 176.870 0.178 0.000 1.010 599 L CA -3.150 51.835 54.840 0.243 0.000 0.814 599 L CB 1.683 43.819 42.059 0.127 0.000 1.304 599 L HN 0.437 nan 8.230 nan 0.000 0.441 600 P HA 0.003 nan 4.420 nan 0.000 0.265 600 P C -0.701 176.613 177.300 0.024 0.000 1.187 600 P CA -0.104 63.055 63.100 0.097 0.000 0.766 600 P CB 0.456 32.211 31.700 0.093 0.000 0.820 601 A N 2.991 125.807 122.820 -0.006 0.000 2.507 601 A HA 0.405 4.724 4.320 -0.001 0.000 0.235 601 A C 0.277 177.824 177.584 -0.060 0.000 1.070 601 A CA 0.171 52.213 52.037 0.009 0.000 0.768 601 A CB -0.320 18.736 19.000 0.093 0.000 1.011 601 A HN 0.476 nan 8.150 nan 0.000 0.502 602 V N -0.889 119.021 119.914 -0.006 0.000 3.040 602 V HA 0.845 4.964 4.120 -0.001 0.000 0.312 602 V C -0.554 175.537 176.094 -0.004 0.000 1.115 602 V CA -0.787 61.473 62.300 -0.067 0.000 0.998 602 V CB 2.223 34.027 31.823 -0.032 0.000 1.042 602 V HN 0.883 nan 8.190 nan 0.000 0.433 603 N N 0.556 119.214 118.700 -0.070 0.000 2.666 603 N HA 0.342 5.081 4.740 -0.001 0.000 0.253 603 N C -1.144 174.328 175.510 -0.062 0.000 1.621 603 N CA -0.183 52.844 53.050 -0.038 0.000 0.785 603 N CB 0.215 38.640 38.487 -0.104 0.000 1.332 603 N HN 1.094 nan 8.380 nan 0.000 0.514 604 H N -0.940 118.020 119.070 -0.184 0.000 2.737 604 H HA 0.785 5.340 4.556 -0.001 0.000 0.358 604 H C -1.084 174.082 175.328 -0.270 0.000 1.187 604 H CA -0.685 55.196 56.048 -0.278 0.000 1.221 604 H CB 1.615 31.126 29.762 -0.418 0.000 1.799 604 H HN -0.085 nan 8.280 nan 0.000 0.568 605 V N 3.423 122.806 119.914 -0.886 0.000 2.524 605 V HA 0.189 4.308 4.120 -0.001 0.000 0.297 605 V C -1.018 174.671 176.094 -0.676 0.000 1.035 605 V CA -0.632 61.351 62.300 -0.528 0.000 0.867 605 V CB 0.972 32.581 31.823 -0.356 0.000 1.004 605 V HN 0.603 nan 8.190 nan 0.000 0.426 606 F N 4.168 124.023 119.950 -0.158 0.000 2.509 606 F HA 0.587 5.113 4.527 -0.001 0.000 0.350 606 F C 1.172 176.853 175.800 -0.197 0.000 1.220 606 F CA -0.041 57.904 58.000 -0.091 0.000 1.151 606 F CB 0.512 39.571 39.000 0.098 0.000 1.379 606 F HN 0.606 nan 8.300 nan 0.000 0.610 607 A N 3.969 126.564 122.820 -0.375 0.000 2.364 607 A HA 0.179 4.499 4.320 -0.001 0.000 0.258 607 A C 0.641 178.233 177.584 0.013 0.000 1.131 607 A CA -0.533 51.349 52.037 -0.259 0.000 0.800 607 A CB 0.274 19.053 19.000 -0.369 0.000 1.086 607 A HN 0.649 nan 8.150 nan 0.000 0.508 608 K N -0.729 119.719 120.400 0.079 0.000 2.401 608 K HA 0.349 4.668 4.320 -0.001 0.000 0.278 608 K C 1.158 177.898 176.600 0.232 0.000 1.018 608 K CA 1.149 57.517 56.287 0.134 0.000 0.981 608 K CB 0.258 32.809 32.500 0.084 0.000 0.933 608 K HN 1.344 nan 8.250 nan 0.000 0.477 609 G N 1.803 110.715 108.800 0.188 0.000 2.225 609 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.254 609 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.254 609 G C 0.208 175.199 174.900 0.153 0.000 0.988 609 G CA -0.125 45.064 45.100 0.149 0.000 0.625 609 G HN 0.750 nan 8.290 nan 0.000 0.527 610 H N -0.047 119.086 119.070 0.105 0.000 2.490 610 H HA 0.689 5.244 4.556 -0.001 0.000 0.354 610 H C 0.461 175.865 175.328 0.127 0.000 1.365 610 H CA -0.121 56.013 56.048 0.144 0.000 1.413 610 H CB 0.825 30.721 29.762 0.223 0.000 1.631 610 H HN 0.177 nan 8.280 nan 0.000 0.607 611 R N 0.427 121.092 120.500 0.274 0.000 2.626 611 R HA 0.362 4.701 4.340 -0.001 0.000 0.274 611 R C -1.046 175.310 176.300 0.094 0.000 1.031 611 R CA -0.706 55.473 56.100 0.131 0.000 0.898 611 R CB 2.026 32.374 30.300 0.080 0.000 1.222 611 R HN 0.447 nan 8.270 nan 0.000 0.455 612 I N 3.442 123.947 120.570 -0.110 0.000 2.353 612 I HA 0.392 4.561 4.170 -0.001 0.000 0.293 612 I C 0.106 176.151 176.117 -0.119 0.000 0.992 612 I CA -0.301 60.812 61.300 -0.310 0.000 1.268 612 I CB 1.538 39.127 38.000 -0.685 0.000 1.387 612 I HN 0.417 nan 8.210 nan 0.000 0.478 613 M N 6.795 126.382 119.600 -0.022 0.000 2.530 613 M HA 0.647 5.126 4.480 -0.001 0.000 0.307 613 M C -1.950 174.375 176.300 0.042 0.000 1.161 613 M CA -0.628 54.686 55.300 0.023 0.000 0.903 613 M CB 2.431 35.065 32.600 0.057 0.000 1.711 613 M HN 0.318 nan 8.290 nan 0.000 0.451 614 V N 3.709 123.664 119.914 0.068 0.000 2.531 614 V HA 0.462 4.582 4.120 -0.001 0.000 0.301 614 V C -0.948 175.228 176.094 0.137 0.000 1.034 614 V CA -0.537 61.811 62.300 0.080 0.000 0.865 614 V CB 1.933 33.773 31.823 0.027 0.000 0.995 614 V HN 0.870 nan 8.190 nan 0.000 0.424 615 Q N 3.793 123.652 119.800 0.098 0.000 2.340 615 Q HA 0.704 5.043 4.340 -0.001 0.000 0.268 615 Q C -1.468 174.560 176.000 0.046 0.000 1.031 615 Q CA -0.491 55.354 55.803 0.071 0.000 0.804 615 Q CB 2.660 31.425 28.738 0.045 0.000 1.286 615 Q HN 0.677 nan 8.270 nan 0.000 0.448 616 I N 3.326 123.911 120.570 0.026 0.000 2.498 616 I HA 0.336 4.505 4.170 -0.001 0.000 0.290 616 I C -0.428 175.597 176.117 -0.153 0.000 1.032 616 I CA -0.433 60.880 61.300 0.021 0.000 1.073 616 I CB 1.738 39.835 38.000 0.161 0.000 1.251 616 I HN 0.591 nan 8.210 nan 0.000 0.426 617 Q N 3.061 122.814 119.800 -0.077 0.000 2.687 617 Q HA 0.571 4.910 4.340 -0.001 0.000 0.305 617 Q C -1.125 174.927 176.000 0.087 0.000 1.006 617 Q CA -0.904 54.843 55.803 -0.093 0.000 0.763 617 Q CB 1.989 30.651 28.738 -0.126 0.000 1.506 617 Q HN 0.402 nan 8.270 nan 0.000 0.459 618 S N -0.000 115.769 115.700 0.116 0.000 2.730 618 S HA 0.303 4.772 4.470 -0.001 0.000 0.244 618 S C -0.826 173.758 174.600 -0.028 0.000 1.022 618 S CA -0.035 58.145 58.200 -0.034 0.000 1.014 618 S CB 0.424 63.544 63.200 -0.134 0.000 0.963 618 S HN 0.563 nan 8.310 nan 0.000 0.540 619 S N 0.196 115.919 115.700 0.039 0.000 2.550 619 S HA 0.655 5.124 4.470 -0.001 0.000 0.270 619 S C -1.907 172.873 174.600 0.300 0.000 1.145 619 S CA -0.707 57.587 58.200 0.157 0.000 0.852 619 S CB 1.391 64.689 63.200 0.164 0.000 1.119 619 S HN 0.302 nan 8.310 nan 0.000 0.465 620 W N 2.086 123.529 121.300 0.238 0.000 1.504 620 W HA 0.471 5.130 4.660 -0.001 0.000 0.313 620 W C -1.770 174.909 176.519 0.267 0.000 0.936 620 W CA -1.778 55.733 57.345 0.277 0.000 1.471 620 W CB 0.415 30.044 29.460 0.282 0.000 1.627 620 W HN 0.643 nan 8.180 nan 0.000 0.408 621 F N 4.421 124.559 119.950 0.313 0.000 2.375 621 F HA 0.465 4.991 4.527 -0.001 0.000 0.333 621 F C -1.063 174.905 175.800 0.280 0.000 1.104 621 F CA -2.206 55.880 58.000 0.143 0.000 1.149 621 F CB 1.232 40.249 39.000 0.028 0.000 1.190 621 F HN -0.075 nan 8.300 nan 0.000 0.533 622 P HA 0.013 nan 4.420 nan 0.000 0.266 622 P C 1.357 178.117 177.300 -0.899 0.000 1.381 622 P CA 0.244 62.602 63.100 -1.237 0.000 0.940 622 P CB 0.284 31.319 31.700 -1.109 0.000 1.435 623 L N 0.012 120.689 121.223 -0.911 0.000 1.989 623 L HA -0.044 4.295 4.340 -0.001 0.000 0.211 623 L C 0.355 176.625 176.870 -1.000 0.000 1.071 623 L CA 1.838 55.982 54.840 -1.159 0.000 0.749 623 L CB -1.228 39.616 42.059 -2.025 0.000 0.890 623 L HN -0.114 nan 8.230 nan 0.000 0.431 624 Y N 0.621 120.657 120.300 -0.439 0.000 2.360 624 Y HA 0.312 4.862 4.550 -0.001 0.000 0.337 624 Y C 0.088 175.969 175.900 -0.032 0.000 1.039 624 Y CA -1.858 56.112 58.100 -0.216 0.000 1.109 624 Y CB 0.472 38.923 38.460 -0.014 0.000 1.201 624 Y HN 0.226 nan 8.280 nan 0.000 0.458 625 D N 2.208 122.723 120.400 0.192 0.000 2.399 625 D HA 0.045 4.684 4.640 -0.001 0.000 0.241 625 D C -0.371 176.153 176.300 0.373 0.000 1.133 625 D CA -0.409 53.795 54.000 0.340 0.000 0.890 625 D CB 0.704 41.754 40.800 0.416 0.000 1.201 625 D HN 0.481 nan 8.370 nan 0.000 0.432 626 R N 1.245 121.996 120.500 0.419 0.000 2.537 626 R HA 0.088 4.427 4.340 -0.001 0.000 0.280 626 R C 0.639 177.093 176.300 0.257 0.000 1.058 626 R CA -0.394 55.879 56.100 0.289 0.000 1.057 626 R CB 0.242 30.647 30.300 0.174 0.000 0.973 626 R HN 0.454 nan 8.270 nan 0.000 0.438 627 N N 3.668 122.446 118.700 0.130 0.000 2.430 627 N HA 0.069 4.808 4.740 -0.001 0.000 0.265 627 N C -1.921 173.592 175.510 0.005 0.000 1.100 627 N CA -1.827 51.239 53.050 0.027 0.000 0.961 627 N CB 1.432 39.891 38.487 -0.047 0.000 1.075 627 N HN 0.260 nan 8.380 nan 0.000 0.478 628 P HA -0.070 nan 4.420 nan 0.000 0.228 628 P C -0.109 177.111 177.300 -0.134 0.000 1.151 628 P CA 0.907 63.801 63.100 -0.343 0.000 0.770 628 P CB 0.234 31.575 31.700 -0.598 0.000 0.786 629 Q N -3.366 116.383 119.800 -0.085 0.000 2.374 629 Q HA -0.222 4.117 4.340 -0.001 0.000 0.218 629 Q C 0.161 176.148 176.000 -0.022 0.000 0.691 629 Q CA 1.119 56.892 55.803 -0.051 0.000 1.340 629 Q CB -1.352 27.363 28.738 -0.038 0.000 1.498 629 Q HN 0.276 nan 8.270 nan 0.000 0.739 630 K N 0.146 120.522 120.400 -0.041 0.000 2.471 630 K HA 0.355 4.674 4.320 -0.001 0.000 0.252 630 K C -1.225 175.384 176.600 0.015 0.000 0.938 630 K CA -0.778 55.509 56.287 -0.000 0.000 0.796 630 K CB 0.817 33.296 32.500 -0.034 0.000 1.161 630 K HN -0.005 nan 8.250 nan 0.000 0.425 631 F N 5.643 125.557 119.950 -0.059 0.000 2.538 631 F HA 0.112 4.638 4.527 -0.001 0.000 0.382 631 F C -0.330 175.435 175.800 -0.059 0.000 1.069 631 F CA 0.210 58.173 58.000 -0.061 0.000 1.138 631 F CB 0.359 39.334 39.000 -0.042 0.000 1.068 631 F HN 0.203 nan 8.300 nan 0.000 0.556 632 V N 5.079 124.614 119.914 -0.631 0.000 2.769 632 V HA 0.484 4.603 4.120 -0.001 0.000 0.312 632 V C -2.160 173.497 176.094 -0.728 0.000 1.061 632 V CA -1.978 60.030 62.300 -0.487 0.000 0.931 632 V CB 1.534 33.185 31.823 -0.287 0.000 1.010 632 V HN 0.497 nan 8.190 nan 0.000 0.433 633 P HA -0.061 nan 4.420 nan 0.000 0.216 633 P C 0.190 177.337 177.300 -0.255 0.000 1.150 633 P CA 1.393 64.295 63.100 -0.329 0.000 0.837 633 P CB 0.147 31.763 31.700 -0.140 0.000 0.786 634 N N -1.146 117.430 118.700 -0.207 0.000 2.500 634 N HA 0.189 4.928 4.740 -0.001 0.000 0.291 634 N C 0.517 175.953 175.510 -0.124 0.000 1.092 634 N CA -0.416 52.553 53.050 -0.134 0.000 0.890 634 N CB 1.085 39.521 38.487 -0.084 0.000 1.466 634 N HN -0.207 nan 8.380 nan 0.000 0.507 635 I N 2.023 122.493 120.570 -0.167 0.000 2.614 635 I HA -0.158 4.011 4.170 -0.001 0.000 0.258 635 I C 1.241 177.349 176.117 -0.014 0.000 1.189 635 I CA 0.741 61.956 61.300 -0.143 0.000 1.462 635 I CB -0.114 37.787 38.000 -0.165 0.000 1.092 635 I HN 0.415 nan 8.210 nan 0.000 0.442 636 F N 1.201 121.197 119.950 0.077 0.000 2.171 636 F HA -0.192 4.334 4.527 -0.001 0.000 0.300 636 F C 1.592 177.516 175.800 0.206 0.000 1.090 636 F CA 1.211 59.310 58.000 0.164 0.000 1.293 636 F CB -0.415 38.633 39.000 0.081 0.000 1.013 636 F HN 0.100 nan 8.300 nan 0.000 0.486 637 D N 0.254 120.832 120.400 0.297 0.000 2.587 637 D HA 0.246 4.885 4.640 -0.001 0.000 0.233 637 D C 0.484 176.869 176.300 0.143 0.000 1.213 637 D CA 0.095 54.237 54.000 0.237 0.000 0.827 637 D CB -0.325 40.592 40.800 0.195 0.000 1.006 637 D HN 0.023 nan 8.370 nan 0.000 0.490 638 A N 0.975 123.874 122.820 0.131 0.000 2.462 638 A HA 0.147 4.467 4.320 -0.001 0.000 0.243 638 A C 0.780 178.452 177.584 0.148 0.000 1.076 638 A CA 0.049 52.107 52.037 0.035 0.000 0.773 638 A CB 0.757 19.679 19.000 -0.131 0.000 1.010 638 A HN -0.052 nan 8.150 nan 0.000 0.493 639 K N 2.533 122.987 120.400 0.090 0.000 2.095 639 K HA 0.287 4.606 4.320 -0.001 0.000 0.252 639 K C -1.944 174.802 176.600 0.244 0.000 0.977 639 K CA -1.751 54.623 56.287 0.145 0.000 0.900 639 K CB 0.851 33.398 32.500 0.079 0.000 1.060 639 K HN 0.295 nan 8.250 nan 0.000 0.449 640 P HA -0.228 nan 4.420 nan 0.000 0.216 640 P C 0.892 178.338 177.300 0.245 0.000 1.154 640 P CA 1.503 64.749 63.100 0.243 0.000 0.865 640 P CB 0.121 31.888 31.700 0.112 0.000 0.789 641 A N -0.789 122.117 122.820 0.143 0.000 2.168 641 A HA -0.148 4.171 4.320 -0.001 0.000 0.215 641 A C 1.752 179.382 177.584 0.076 0.000 1.152 641 A CA 1.447 53.543 52.037 0.098 0.000 0.716 641 A CB -1.023 18.013 19.000 0.061 0.000 0.794 641 A HN 0.089 nan 8.150 nan 0.000 0.465 642 D N -1.171 119.257 120.400 0.047 0.000 2.234 642 D HA -0.019 4.620 4.640 -0.001 0.000 0.205 642 D C -0.282 175.932 176.300 -0.142 0.000 0.962 642 D CA 0.606 54.552 54.000 -0.089 0.000 0.855 642 D CB -0.254 40.420 40.800 -0.210 0.000 0.951 642 D HN 0.548 nan 8.370 nan 0.000 0.500 643 Y N 1.538 121.842 120.300 0.007 0.000 2.697 643 Y HA 0.116 4.665 4.550 -0.001 0.000 0.349 643 Y C 0.734 176.633 175.900 -0.001 0.000 1.120 643 Y CA 0.028 58.127 58.100 -0.003 0.000 1.468 643 Y CB -0.072 38.380 38.460 -0.013 0.000 1.182 643 Y HN -0.295 nan 8.280 nan 0.000 0.525 644 T N 1.912 116.517 114.554 0.085 0.000 2.855 644 T HA 0.497 4.847 4.350 -0.001 0.000 0.281 644 T C -0.206 174.527 174.700 0.056 0.000 1.007 644 T CA -0.972 61.164 62.100 0.061 0.000 1.009 644 T CB 1.550 70.436 68.868 0.030 0.000 0.983 644 T HN 0.193 nan 8.240 nan 0.000 0.455 645 V N 2.140 122.087 119.914 0.055 0.000 2.555 645 V HA 0.583 4.702 4.120 -0.001 0.000 0.286 645 V C 0.505 176.616 176.094 0.029 0.000 1.044 645 V CA -0.308 62.021 62.300 0.049 0.000 1.026 645 V CB 0.303 32.160 31.823 0.057 0.000 0.981 645 V HN 1.183 nan 8.190 nan 0.000 0.480 646 A N 3.704 126.531 122.820 0.012 0.000 2.454 646 A HA 0.785 5.105 4.320 -0.001 0.000 0.302 646 A C -0.211 177.355 177.584 -0.029 0.000 1.079 646 A CA -0.594 51.440 52.037 -0.006 0.000 0.731 646 A CB 1.770 20.756 19.000 -0.022 0.000 1.299 646 A HN 0.649 nan 8.150 nan 0.000 0.413 647 T N 3.123 117.663 114.554 -0.023 0.000 2.743 647 T HA 0.411 4.760 4.350 -0.001 0.000 0.292 647 T C -0.437 174.220 174.700 -0.072 0.000 0.972 647 T CA -0.292 61.782 62.100 -0.042 0.000 0.967 647 T CB 0.509 69.378 68.868 0.001 0.000 0.926 647 T HN 0.576 nan 8.240 nan 0.000 0.459 648 Q N 1.981 121.640 119.800 -0.236 0.000 2.230 648 Q HA 0.568 4.907 4.340 -0.001 0.000 0.253 648 Q C -0.596 175.332 176.000 -0.120 0.000 0.919 648 Q CA -0.553 55.114 55.803 -0.226 0.000 0.908 648 Q CB 1.790 30.137 28.738 -0.652 0.000 1.245 648 Q HN 0.495 nan 8.270 nan 0.000 0.437 649 S N 2.210 117.960 115.700 0.085 0.000 2.647 649 S HA 0.498 4.968 4.470 -0.001 0.000 0.300 649 S C -0.326 174.371 174.600 0.161 0.000 1.129 649 S CA -0.676 57.602 58.200 0.128 0.000 1.029 649 S CB 0.870 64.138 63.200 0.113 0.000 1.007 649 S HN 0.373 nan 8.310 nan 0.000 0.484 650 I N 3.363 124.066 120.570 0.222 0.000 2.306 650 I HA 0.255 4.424 4.170 -0.001 0.000 0.288 650 I C 0.349 176.578 176.117 0.187 0.000 1.036 650 I CA -0.381 61.040 61.300 0.201 0.000 1.221 650 I CB 0.240 38.410 38.000 0.283 0.000 1.385 650 I HN 0.724 nan 8.210 nan 0.000 0.472 651 H N 6.279 125.385 119.070 0.060 0.000 2.652 651 H HA 0.379 4.934 4.556 -0.001 0.000 0.349 651 H C -0.456 174.861 175.328 -0.019 0.000 1.099 651 H CA 0.309 56.335 56.048 -0.037 0.000 1.417 651 H CB 0.563 30.285 29.762 -0.066 0.000 1.457 651 H HN 0.696 nan 8.280 nan 0.000 0.568 652 H N 1.648 120.557 119.070 -0.268 0.000 2.851 652 H HA 0.593 5.148 4.556 -0.001 0.000 0.372 652 H C 0.075 175.284 175.328 -0.198 0.000 1.158 652 H CA -0.730 55.215 56.048 -0.172 0.000 1.159 652 H CB 1.189 30.838 29.762 -0.189 0.000 1.757 652 H HN 1.001 nan 8.280 nan 0.000 0.546 653 G N 0.144 108.906 108.800 -0.063 0.000 2.781 653 G HA2 0.323 4.282 3.960 -0.001 0.000 0.683 653 G HA3 0.323 4.282 3.960 -0.001 0.000 0.683 653 G C 0.525 175.410 174.900 -0.025 0.000 1.390 653 G CA 0.391 45.429 45.100 -0.103 0.000 0.850 653 G HN 2.200 nan 8.290 nan 0.000 0.557 654 G N -0.118 108.733 108.800 0.085 0.000 2.574 654 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.286 654 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.286 654 G C 1.049 175.935 174.900 -0.024 0.000 1.212 654 G CA 1.220 46.345 45.100 0.041 0.000 0.979 654 G HN 1.570 nan 8.290 nan 0.000 0.557 655 K N 0.982 121.294 120.400 -0.147 0.000 2.228 655 K HA 0.151 4.470 4.320 -0.001 0.000 0.202 655 K C 1.242 177.522 176.600 -0.533 0.000 1.051 655 K CA 1.413 57.555 56.287 -0.242 0.000 0.960 655 K CB 0.094 32.462 32.500 -0.220 0.000 0.743 655 K HN 0.519 nan 8.250 nan 0.000 0.458 656 E N 0.649 120.436 120.200 -0.688 0.000 2.698 656 E HA 0.216 4.565 4.350 -0.001 0.000 0.242 656 E C -1.265 174.876 176.600 -0.767 0.000 1.243 656 E CA -0.418 55.126 56.400 -1.426 0.000 1.483 656 E CB 1.224 30.221 29.700 -1.172 0.000 1.495 656 E HN 0.148 nan 8.360 nan 0.000 0.440 657 A N 1.548 124.088 122.820 -0.466 0.000 2.437 657 A HA 0.185 4.504 4.320 -0.001 0.000 0.303 657 A C 0.411 178.122 177.584 0.211 0.000 1.324 657 A CA -0.308 51.677 52.037 -0.088 0.000 0.983 657 A CB -0.005 18.863 19.000 -0.220 0.000 1.142 657 A HN 0.171 nan 8.150 nan 0.000 0.541 658 T N 2.669 117.366 114.554 0.238 0.000 2.901 658 T HA 0.460 4.809 4.350 -0.001 0.000 0.301 658 T C 0.656 175.404 174.700 0.079 0.000 1.012 658 T CA 0.832 63.072 62.100 0.233 0.000 1.135 658 T CB 0.306 69.243 68.868 0.115 0.000 0.936 658 T HN 1.184 nan 8.240 nan 0.000 0.539 659 S N 2.097 117.796 115.700 -0.002 0.000 2.643 659 S HA 0.674 5.143 4.470 -0.001 0.000 0.270 659 S C -1.753 172.733 174.600 -0.190 0.000 1.166 659 S CA -1.046 57.063 58.200 -0.152 0.000 0.815 659 S CB 1.189 64.208 63.200 -0.301 0.000 1.139 659 S HN 0.365 nan 8.310 nan 0.000 0.472 660 I N 2.059 122.492 120.570 -0.229 0.000 2.382 660 I HA 0.341 4.510 4.170 -0.001 0.000 0.285 660 I C -0.587 175.419 176.117 -0.186 0.000 1.007 660 I CA -0.899 60.280 61.300 -0.202 0.000 1.142 660 I CB 1.069 38.970 38.000 -0.164 0.000 1.289 660 I HN 0.672 nan 8.210 nan 0.000 0.453 661 L N 6.777 127.897 121.223 -0.172 0.000 2.536 661 L HA 0.209 4.548 4.340 -0.001 0.000 0.282 661 L C 0.233 177.054 176.870 -0.081 0.000 1.147 661 L CA 0.043 54.809 54.840 -0.123 0.000 0.936 661 L CB -0.236 41.763 42.059 -0.101 0.000 1.279 661 L HN 0.334 nan 8.230 nan 0.000 0.461 662 L N 6.357 127.558 121.223 -0.038 0.000 2.326 662 L HA 0.302 4.642 4.340 -0.001 0.000 0.278 662 L C -1.682 175.198 176.870 0.016 0.000 1.092 662 L CA -1.666 53.185 54.840 0.019 0.000 0.810 662 L CB 1.293 43.408 42.059 0.093 0.000 1.153 662 L HN 0.345 nan 8.230 nan 0.000 0.439 663 P HA 0.088 nan 4.420 nan 0.000 0.214 663 P C -0.348 176.951 177.300 -0.002 0.000 1.826 663 P CA -0.185 62.896 63.100 -0.031 0.000 0.977 663 P CB 0.025 31.683 31.700 -0.070 0.000 1.930 664 V N 2.719 122.642 119.914 0.014 0.000 2.529 664 V HA 0.079 4.198 4.120 -0.001 0.000 0.292 664 V C 1.143 177.224 176.094 -0.021 0.000 1.028 664 V CA 0.098 62.406 62.300 0.013 0.000 1.074 664 V CB 0.872 32.681 31.823 -0.023 0.000 0.958 664 V HN 0.260 nan 8.190 nan 0.000 0.481 665 V N 2.647 122.557 119.914 -0.006 0.000 3.019 665 V HA 0.786 4.905 4.120 -0.001 0.000 0.317 665 V C -0.272 175.820 176.094 -0.004 0.000 1.094 665 V CA -1.283 61.011 62.300 -0.010 0.000 1.000 665 V CB 1.936 33.761 31.823 0.002 0.000 1.060 665 V HN 0.626 nan 8.190 nan 0.000 0.443 666 K N 0.000 120.399 120.400 -0.001 0.000 2.780 666 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 666 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 666 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543