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 3mmp_1_C DATA FIRST_RESID 3 DATA SEQUENCE ITASLVKELR ERTGAGMMDC KKALTEANGD IELAIENMRK SGAIKAAKKA DATA SEQUENCE GNVAADGVIK TKIDGNYGII LEVNCQTDFV AKDAGFQAFA DKVLDAAVAG DATA SEQUENCE KITDVEVLKA QFEEERVALV AKIGENINIR RVAALEGDVL GSYQHGARIG DATA SEQUENCE VLVAAKGADE ELVKHIAMHV AASKPEFIKP EDVSAEVVEK EYQVQLDIAM DATA SEQUENCE QSGKPKEIAE KMVEGRMKKF TGEVSLTGQP FVMEPSKTVG QLLKEHNAEV DATA SEQUENCE TGFIRFEVGE GIEKVETDFA AEVAAMSKQS XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXKPHV NVGTIGHVDH GKTTLTAAIT TVLAKTYGGX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XTSHVEYDTP TRHYAHVDCP GHADYVKNMI TGAAQMDGAI DATA SEQUENCE LVVAATDGPM PQTREHILLG RQVGVPYIIV FLNKCDMVDD EELLELVEME DATA SEQUENCE VRELLSQYDF PGDDTPIVRG SALKALEGDA EWEAKILELA GFLDSYIPEP DATA SEQUENCE ERAIDKPFLL PIEDVFSISG RGTVVTGRVE RGIIKVGEEV EIVGIKETQK DATA SEQUENCE STCTGVEMFR KLLDEGRAGE NVGVLLRGIK REEIERGQVL AKPGTIKPHT DATA SEQUENCE KFESEVYILS KDEGGRHTPF FKGYRPQFYF RTTDVTGTIE LPEGVEMVMP DATA SEQUENCE GDNIKMVVTL IHPIAMDDGL RFAIREGGRT VGAGVVAKVL S 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.117 176.117 -0.000 0.000 1.063 3 I CA 0.000 61.300 61.300 0.000 0.000 1.566 3 I CB 0.000 38.000 38.000 0.000 0.000 1.214 4 T N 0.275 114.829 114.554 -0.000 0.000 2.874 4 T HA 0.672 5.021 4.350 -0.001 0.000 0.281 4 T C 1.398 176.098 174.700 -0.001 0.000 0.994 4 T CA 0.226 62.325 62.100 -0.000 0.000 1.015 4 T CB 2.227 71.095 68.868 -0.000 0.000 1.028 4 T HN 0.484 nan 8.240 nan 0.000 0.523 5 A N 1.546 124.365 122.820 -0.001 0.000 1.969 5 A HA 0.009 4.328 4.320 -0.001 0.000 0.218 5 A C 2.516 180.099 177.584 -0.001 0.000 1.169 5 A CA 1.701 53.737 52.037 -0.002 0.000 0.635 5 A CB -1.366 17.633 19.000 -0.003 0.000 0.810 5 A HN 0.935 nan 8.150 nan 0.000 0.445 6 S N -0.017 115.683 115.700 -0.001 0.000 2.368 6 S HA -0.170 4.299 4.470 -0.001 0.000 0.225 6 S C 1.811 176.411 174.600 0.000 0.000 1.030 6 S CA 1.447 59.647 58.200 -0.000 0.000 0.999 6 S CB -0.531 62.669 63.200 0.000 0.000 0.844 6 S HN 0.443 nan 8.310 nan 0.000 0.459 7 L N 2.164 123.388 121.223 0.000 0.000 2.027 7 L HA 0.025 4.364 4.340 -0.001 0.000 0.206 7 L C 2.337 179.207 176.870 0.001 0.000 1.074 7 L CA 1.370 56.210 54.840 0.001 0.000 0.745 7 L CB -0.762 41.297 42.059 0.001 0.000 0.898 7 L HN 0.146 nan 8.230 nan 0.000 0.433 8 V N 0.162 120.076 119.914 -0.000 0.000 2.324 8 V HA -0.371 3.748 4.120 -0.001 0.000 0.250 8 V C 2.667 178.761 176.094 -0.000 0.000 1.060 8 V CA 2.233 64.532 62.300 -0.001 0.000 1.042 8 V CB -0.818 31.003 31.823 -0.002 0.000 0.650 8 V HN 0.553 nan 8.190 nan 0.000 0.450 9 K N 0.045 120.445 120.400 -0.000 0.000 2.063 9 K HA -0.294 4.025 4.320 -0.001 0.000 0.208 9 K C 2.171 178.772 176.600 0.002 0.000 1.048 9 K CA 2.143 58.430 56.287 0.000 0.000 0.928 9 K CB -0.122 32.378 32.500 0.000 0.000 0.713 9 K HN 0.488 nan 8.250 nan 0.000 0.442 10 E N 0.873 121.074 120.200 0.002 0.000 2.038 10 E HA -0.222 4.128 4.350 -0.001 0.000 0.195 10 E C 1.880 178.483 176.600 0.004 0.000 1.000 10 E CA 1.436 57.838 56.400 0.003 0.000 0.803 10 E CB -0.355 29.346 29.700 0.003 0.000 0.750 10 E HN 0.298 nan 8.360 nan 0.000 0.448 11 L N 0.681 121.906 121.223 0.003 0.000 2.191 11 L HA -0.074 4.265 4.340 -0.001 0.000 0.212 11 L C 2.242 179.114 176.870 0.004 0.000 1.103 11 L CA 1.565 56.407 54.840 0.004 0.000 0.769 11 L CB -0.353 41.707 42.059 0.003 0.000 0.908 11 L HN 0.072 nan 8.230 nan 0.000 0.438 12 R N 0.355 120.856 120.500 0.003 0.000 2.061 12 R HA -0.150 4.189 4.340 -0.001 0.000 0.230 12 R C 1.950 178.253 176.300 0.005 0.000 1.140 12 R CA 1.878 57.980 56.100 0.003 0.000 0.940 12 R CB -0.283 30.018 30.300 0.002 0.000 0.839 12 R HN 0.707 nan 8.270 nan 0.000 0.429 13 E N -0.494 119.709 120.200 0.006 0.000 2.478 13 E HA -0.132 4.217 4.350 -0.001 0.000 0.198 13 E C 1.743 178.348 176.600 0.009 0.000 1.046 13 E CA 0.538 56.943 56.400 0.008 0.000 0.870 13 E CB -0.066 29.639 29.700 0.008 0.000 0.818 13 E HN 0.161 nan 8.360 nan 0.000 0.527 14 R N 0.059 120.564 120.500 0.008 0.000 2.254 14 R HA 0.095 4.434 4.340 -0.001 0.000 0.195 14 R C 1.082 177.388 176.300 0.010 0.000 0.957 14 R CA 0.994 57.100 56.100 0.009 0.000 1.024 14 R CB 0.479 30.784 30.300 0.008 0.000 0.952 14 R HN 0.087 nan 8.270 nan 0.000 0.484 15 T N -2.283 112.276 114.554 0.009 0.000 3.058 15 T HA 0.182 4.532 4.350 -0.001 0.000 0.247 15 T C 0.964 175.668 174.700 0.008 0.000 0.987 15 T CA 0.595 62.700 62.100 0.009 0.000 1.062 15 T CB 0.956 69.828 68.868 0.007 0.000 1.048 15 T HN 0.353 nan 8.240 nan 0.000 0.468 16 G N 1.931 110.734 108.800 0.006 0.000 2.179 16 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.260 16 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.260 16 G C 0.263 175.162 174.900 -0.001 0.000 0.977 16 G CA 0.148 45.250 45.100 0.003 0.000 0.641 16 G HN 0.923 nan 8.290 nan 0.000 0.533 17 A N 0.256 123.077 122.820 0.001 0.000 2.304 17 A HA 0.793 5.112 4.320 -0.001 0.000 0.271 17 A C 1.320 178.904 177.584 0.000 0.000 1.091 17 A CA 0.715 52.752 52.037 0.001 0.000 0.812 17 A CB 0.341 19.343 19.000 0.003 0.000 1.056 17 A HN 1.833 nan 8.150 nan 0.000 0.489 18 G N -0.179 108.622 108.800 0.002 0.000 2.670 18 G HA2 0.227 4.186 3.960 -0.001 0.000 0.233 18 G HA3 0.227 4.186 3.960 -0.001 0.000 0.233 18 G C 0.735 175.632 174.900 -0.005 0.000 1.251 18 G CA 0.431 45.532 45.100 0.002 0.000 0.849 18 G HN 0.805 nan 8.290 nan 0.000 0.588 19 M N 1.511 121.104 119.600 -0.012 0.000 2.065 19 M HA -0.078 4.401 4.480 -0.001 0.000 0.259 19 M C 2.391 178.683 176.300 -0.014 0.000 1.069 19 M CA 1.696 56.988 55.300 -0.014 0.000 1.110 19 M CB -0.266 32.321 32.600 -0.022 0.000 1.328 19 M HN 0.473 nan 8.290 nan 0.000 0.405 20 M N -0.337 119.252 119.600 -0.018 0.000 2.254 20 M HA -0.120 4.359 4.480 -0.001 0.000 0.265 20 M C 1.553 177.848 176.300 -0.009 0.000 1.066 20 M CA 1.262 56.553 55.300 -0.016 0.000 1.123 20 M CB -1.522 31.064 32.600 -0.023 0.000 1.388 20 M HN 0.213 nan 8.290 nan 0.000 0.425 21 D N 0.115 120.512 120.400 -0.006 0.000 2.149 21 D HA -0.146 4.494 4.640 -0.001 0.000 0.198 21 D C 2.128 178.428 176.300 -0.001 0.000 0.990 21 D CA 1.184 55.183 54.000 -0.001 0.000 0.839 21 D CB -0.235 40.567 40.800 0.003 0.000 0.948 21 D HN 0.355 nan 8.370 nan 0.000 0.460 22 C N 0.395 119.694 119.300 -0.002 0.000 2.476 22 C HA -0.037 4.422 4.460 -0.001 0.000 0.278 22 C C 2.544 177.533 174.990 -0.002 0.000 1.274 22 C CA 0.191 59.208 59.018 -0.001 0.000 1.713 22 C CB -0.551 27.188 27.740 -0.001 0.000 2.039 22 C HN 0.239 nan 8.230 nan 0.000 0.484 23 K N 2.256 122.654 120.400 -0.004 0.000 2.044 23 K HA -0.213 4.106 4.320 -0.001 0.000 0.210 23 K C 2.058 178.656 176.600 -0.002 0.000 1.049 23 K CA 1.915 58.200 56.287 -0.003 0.000 0.927 23 K CB -0.530 31.967 32.500 -0.006 0.000 0.713 23 K HN 0.525 nan 8.250 nan 0.000 0.443 24 K N -0.462 119.936 120.400 -0.003 0.000 2.002 24 K HA -0.104 4.215 4.320 -0.001 0.000 0.209 24 K C 1.939 178.539 176.600 -0.000 0.000 1.048 24 K CA 1.571 57.857 56.287 -0.002 0.000 0.930 24 K CB -0.409 32.090 32.500 -0.002 0.000 0.714 24 K HN 0.188 nan 8.250 nan 0.000 0.438 25 A N 1.231 124.051 122.820 0.001 0.000 2.015 25 A HA -0.042 4.277 4.320 -0.001 0.000 0.219 25 A C 2.056 179.641 177.584 0.002 0.000 1.163 25 A CA 0.921 52.959 52.037 0.002 0.000 0.646 25 A CB -0.398 18.604 19.000 0.003 0.000 0.806 25 A HN 0.380 nan 8.150 nan 0.000 0.448 26 L N -0.952 120.271 121.223 0.001 0.000 2.478 26 L HA -0.068 4.271 4.340 -0.001 0.000 0.223 26 L C 2.424 179.295 176.870 0.001 0.000 1.140 26 L CA 1.065 55.905 54.840 0.001 0.000 0.842 26 L CB -0.235 41.825 42.059 0.001 0.000 0.953 26 L HN 0.359 nan 8.230 nan 0.000 0.452 27 T N -0.459 114.095 114.554 0.001 0.000 2.781 27 T HA -0.117 4.232 4.350 -0.001 0.000 0.252 27 T C 1.413 176.113 174.700 0.001 0.000 1.039 27 T CA 1.102 63.203 62.100 0.001 0.000 1.147 27 T CB -0.001 68.867 68.868 0.000 0.000 0.865 27 T HN 0.490 nan 8.240 nan 0.000 0.423 28 E N 1.128 121.329 120.200 0.001 0.000 2.485 28 E HA 0.294 4.643 4.350 -0.001 0.000 0.194 28 E C 1.071 177.672 176.600 0.002 0.000 1.098 28 E CA 0.238 56.639 56.400 0.001 0.000 0.878 28 E CB 0.034 29.735 29.700 0.002 0.000 0.939 28 E HN 0.391 nan 8.360 nan 0.000 0.503 29 A N 0.885 123.706 122.820 0.002 0.000 2.571 29 A HA 0.135 4.455 4.320 -0.001 0.000 0.274 29 A C 0.225 177.810 177.584 0.002 0.000 1.196 29 A CA -0.387 51.651 52.037 0.002 0.000 0.957 29 A CB 0.019 19.020 19.000 0.002 0.000 1.150 29 A HN 0.196 nan 8.150 nan 0.000 0.539 30 N N -1.191 117.510 118.700 0.001 0.000 5.495 30 N HA -0.198 4.542 4.740 -0.001 0.000 0.335 30 N C 0.993 176.504 175.510 0.001 0.000 0.914 30 N CA 1.424 54.475 53.050 0.001 0.000 1.149 30 N CB -1.018 37.470 38.487 0.001 0.000 0.791 30 N HN 0.512 nan 8.380 nan 0.000 0.517 31 G N -0.075 108.726 108.800 0.001 0.000 3.028 31 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.205 31 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.205 31 G C 0.211 175.112 174.900 0.002 0.000 1.182 31 G CA 0.679 45.780 45.100 0.001 0.000 0.860 31 G HN 0.623 nan 8.290 nan 0.000 0.507 32 D N 0.728 121.129 120.400 0.002 0.000 2.402 32 D HA 0.124 4.764 4.640 -0.001 0.000 0.235 32 D C 1.599 177.901 176.300 0.003 0.000 1.226 32 D CA -0.544 53.457 54.000 0.002 0.000 0.918 32 D CB 0.037 40.838 40.800 0.002 0.000 1.043 32 D HN 0.084 nan 8.370 nan 0.000 0.506 33 I N 2.584 123.155 120.570 0.003 0.000 2.208 33 I HA -0.243 3.927 4.170 -0.001 0.000 0.245 33 I C 1.843 177.962 176.117 0.004 0.000 1.097 33 I CA 0.926 62.228 61.300 0.003 0.000 1.363 33 I CB -0.010 37.992 38.000 0.003 0.000 1.051 33 I HN 0.451 nan 8.210 nan 0.000 0.413 34 E N 0.508 120.710 120.200 0.004 0.000 2.051 34 E HA -0.232 4.118 4.350 -0.001 0.000 0.192 34 E C 2.112 178.715 176.600 0.004 0.000 0.991 34 E CA 1.059 57.462 56.400 0.004 0.000 0.799 34 E CB -0.591 29.111 29.700 0.004 0.000 0.748 34 E HN 0.333 nan 8.360 nan 0.000 0.449 35 L N 0.993 122.218 121.223 0.004 0.000 2.083 35 L HA -0.082 4.257 4.340 -0.001 0.000 0.209 35 L C 2.193 179.065 176.870 0.004 0.000 1.083 35 L CA 1.906 56.749 54.840 0.004 0.000 0.752 35 L CB -0.721 41.340 42.059 0.003 0.000 0.899 35 L HN 0.058 nan 8.230 nan 0.000 0.433 36 A N -0.311 122.511 122.820 0.004 0.000 1.883 36 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 36 A C 2.195 179.782 177.584 0.005 0.000 1.186 36 A CA 2.213 54.252 52.037 0.004 0.000 0.624 36 A CB -0.935 18.067 19.000 0.003 0.000 0.822 36 A HN 0.417 nan 8.150 nan 0.000 0.444 37 I N -0.259 120.314 120.570 0.005 0.000 2.145 37 I HA -0.265 3.905 4.170 -0.001 0.000 0.244 37 I C 2.453 178.574 176.117 0.007 0.000 1.075 37 I CA 2.157 63.461 61.300 0.007 0.000 1.332 37 I CB -0.368 37.636 38.000 0.007 0.000 1.033 37 I HN 0.406 nan 8.210 nan 0.000 0.410 38 E N 0.520 120.724 120.200 0.006 0.000 2.047 38 E HA -0.169 4.181 4.350 -0.001 0.000 0.191 38 E C 1.964 178.568 176.600 0.007 0.000 0.987 38 E CA 1.286 57.690 56.400 0.007 0.000 0.799 38 E CB -0.266 29.438 29.700 0.006 0.000 0.752 38 E HN 0.403 nan 8.360 nan 0.000 0.449 39 N N -0.001 118.702 118.700 0.006 0.000 2.061 39 N HA -0.192 4.547 4.740 -0.001 0.000 0.193 39 N C 1.863 177.376 175.510 0.007 0.000 1.030 39 N CA 1.712 54.765 53.050 0.006 0.000 0.856 39 N CB -0.368 38.121 38.487 0.005 0.000 1.023 39 N HN 0.299 nan 8.380 nan 0.000 0.424 40 M N 0.314 119.918 119.600 0.007 0.000 2.099 40 M HA -0.111 4.369 4.480 -0.001 0.000 0.262 40 M C 2.230 178.535 176.300 0.009 0.000 1.067 40 M CA 1.325 56.630 55.300 0.007 0.000 1.124 40 M CB -0.260 32.344 32.600 0.007 0.000 1.353 40 M HN 0.088 nan 8.290 nan 0.000 0.410 41 R N 1.196 121.702 120.500 0.010 0.000 2.117 41 R HA -0.135 4.204 4.340 -0.001 0.000 0.243 41 R C 1.728 178.035 176.300 0.012 0.000 1.143 41 R CA 1.793 57.900 56.100 0.012 0.000 0.968 41 R CB -0.455 29.852 30.300 0.012 0.000 0.863 41 R HN 0.273 nan 8.270 nan 0.000 0.444 42 K N -0.187 120.219 120.400 0.010 0.000 2.103 42 K HA -0.024 4.295 4.320 -0.001 0.000 0.204 42 K C 2.042 178.649 176.600 0.010 0.000 1.052 42 K CA 1.386 57.679 56.287 0.010 0.000 0.945 42 K CB -0.138 32.367 32.500 0.008 0.000 0.722 42 K HN 0.239 nan 8.250 nan 0.000 0.443 43 S N 0.362 116.068 115.700 0.010 0.000 2.607 43 S HA -0.008 4.461 4.470 -0.001 0.000 0.224 43 S C 1.752 176.359 174.600 0.011 0.000 0.969 43 S CA 0.635 58.841 58.200 0.010 0.000 0.927 43 S CB -0.164 63.041 63.200 0.009 0.000 0.772 43 S HN 0.416 nan 8.310 nan 0.000 0.533 44 G N 1.099 109.906 108.800 0.012 0.000 2.422 44 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.218 44 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.218 44 G C 1.665 176.573 174.900 0.014 0.000 1.146 44 G CA 0.694 45.802 45.100 0.012 0.000 0.769 44 G HN 0.643 nan 8.290 nan 0.000 0.547 45 A N 1.052 123.881 122.820 0.015 0.000 1.917 45 A HA -0.074 4.246 4.320 -0.001 0.000 0.219 45 A C 2.297 179.890 177.584 0.016 0.000 1.182 45 A CA 1.682 53.729 52.037 0.017 0.000 0.633 45 A CB -0.281 18.729 19.000 0.017 0.000 0.819 45 A HN 0.305 nan 8.150 nan 0.000 0.448 46 I N -0.372 120.207 120.570 0.014 0.000 2.406 46 I HA -0.135 4.035 4.170 -0.001 0.000 0.249 46 I C 2.161 178.288 176.117 0.015 0.000 1.122 46 I CA 1.197 62.506 61.300 0.014 0.000 1.431 46 I CB -1.351 36.657 38.000 0.012 0.000 1.087 46 I HN 0.341 nan 8.210 nan 0.000 0.424 47 K N 1.248 121.658 120.400 0.016 0.000 2.063 47 K HA -0.135 4.184 4.320 -0.001 0.000 0.208 47 K C 2.201 178.813 176.600 0.020 0.000 1.048 47 K CA 1.707 58.005 56.287 0.019 0.000 0.928 47 K CB -0.183 32.328 32.500 0.019 0.000 0.713 47 K HN 0.290 nan 8.250 nan 0.000 0.442 48 A N 1.440 124.270 122.820 0.017 0.000 1.930 48 A HA -0.077 4.242 4.320 -0.001 0.000 0.217 48 A C 2.347 179.942 177.584 0.019 0.000 1.175 48 A CA 1.720 53.767 52.037 0.016 0.000 0.627 48 A CB -0.519 18.488 19.000 0.013 0.000 0.815 48 A HN 0.341 nan 8.150 nan 0.000 0.443 49 A N -0.580 122.251 122.820 0.018 0.000 1.969 49 A HA -0.099 4.220 4.320 -0.001 0.000 0.218 49 A C 2.056 179.650 177.584 0.017 0.000 1.169 49 A CA 2.150 54.198 52.037 0.018 0.000 0.635 49 A CB -0.299 18.710 19.000 0.017 0.000 0.810 49 A HN 0.394 nan 8.150 nan 0.000 0.445 50 K N 0.017 120.427 120.400 0.018 0.000 2.116 50 K HA 0.010 4.329 4.320 -0.001 0.000 0.203 50 K C 1.721 178.332 176.600 0.019 0.000 1.052 50 K CA 1.076 57.373 56.287 0.017 0.000 0.952 50 K CB 0.016 32.527 32.500 0.019 0.000 0.729 50 K HN 0.196 nan 8.250 nan 0.000 0.446 51 K N 0.038 120.451 120.400 0.022 0.000 2.365 51 K HA 0.086 4.405 4.320 -0.001 0.000 0.199 51 K C 1.788 178.400 176.600 0.019 0.000 1.045 51 K CA 0.859 57.160 56.287 0.023 0.000 0.962 51 K CB -0.110 32.408 32.500 0.031 0.000 0.759 51 K HN 0.177 nan 8.250 nan 0.000 0.469 52 A N 1.021 123.852 122.820 0.019 0.000 2.076 52 A HA -0.085 4.234 4.320 -0.001 0.000 0.220 52 A C 2.235 179.829 177.584 0.016 0.000 1.160 52 A CA 1.823 53.871 52.037 0.019 0.000 0.653 52 A CB -0.731 18.281 19.000 0.020 0.000 0.801 52 A HN 0.357 nan 8.150 nan 0.000 0.455 53 G N -0.484 108.324 108.800 0.013 0.000 2.712 53 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.212 53 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.212 53 G C 0.493 175.397 174.900 0.008 0.000 1.142 53 G CA -0.196 44.910 45.100 0.010 0.000 0.789 53 G HN 0.672 nan 8.290 nan 0.000 0.535 54 N N 0.619 119.324 118.700 0.008 0.000 2.475 54 N HA 0.272 5.012 4.740 -0.001 0.000 0.267 54 N C -0.285 175.229 175.510 0.006 0.000 1.169 54 N CA -0.649 52.403 53.050 0.004 0.000 0.947 54 N CB 2.010 40.498 38.487 0.001 0.000 1.061 54 N HN -0.149 nan 8.380 nan 0.000 0.466 55 V N 1.936 121.852 119.914 0.003 0.000 2.557 55 V HA 0.126 4.245 4.120 -0.001 0.000 0.301 55 V C 0.502 176.598 176.094 0.003 0.000 1.026 55 V CA 0.230 62.533 62.300 0.004 0.000 1.137 55 V CB 0.303 32.127 31.823 0.003 0.000 0.917 55 V HN 0.778 nan 8.190 nan 0.000 0.484 56 A N 4.487 127.311 122.820 0.007 0.000 2.545 56 A HA 0.744 5.064 4.320 -0.001 0.000 0.300 56 A C 0.535 178.123 177.584 0.007 0.000 1.252 56 A CA 0.152 52.193 52.037 0.007 0.000 0.753 56 A CB 1.214 20.225 19.000 0.018 0.000 1.144 56 A HN 1.145 nan 8.150 nan 0.000 0.457 57 A N 1.462 124.282 122.820 -0.001 0.000 2.431 57 A HA 0.320 4.639 4.320 -0.001 0.000 0.239 57 A C 0.613 178.193 177.584 -0.006 0.000 1.230 57 A CA 0.191 52.227 52.037 -0.002 0.000 0.928 57 A CB 0.092 19.090 19.000 -0.003 0.000 1.006 57 A HN 0.674 nan 8.150 nan 0.000 0.520 58 D N -1.243 119.147 120.400 -0.018 0.000 2.539 58 D HA 0.567 5.206 4.640 -0.001 0.000 0.280 58 D C 0.754 177.041 176.300 -0.022 0.000 1.208 58 D CA 1.114 55.093 54.000 -0.035 0.000 1.088 58 D CB 1.792 42.548 40.800 -0.072 0.000 1.149 58 D HN 0.440 nan 8.370 nan 0.000 0.596 59 G N -1.314 107.457 108.800 -0.050 0.000 2.255 59 G HA2 0.174 4.134 3.960 -0.001 0.000 0.216 59 G HA3 0.174 4.134 3.960 -0.001 0.000 0.216 59 G C -1.021 173.954 174.900 0.125 0.000 1.307 59 G CA -0.081 45.043 45.100 0.039 0.000 1.162 59 G HN 1.019 nan 8.290 nan 0.000 0.494 60 V N -2.296 117.763 119.914 0.240 0.000 3.049 60 V HA 0.859 4.979 4.120 -0.001 0.000 0.309 60 V C -0.419 175.758 176.094 0.138 0.000 1.148 60 V CA -1.335 61.074 62.300 0.181 0.000 0.990 60 V CB 1.921 33.888 31.823 0.240 0.000 1.039 60 V HN 1.110 nan 8.190 nan 0.000 0.430 61 I N 2.568 123.199 120.570 0.102 0.000 2.437 61 I HA 0.676 4.845 4.170 -0.001 0.000 0.298 61 I C 0.045 176.187 176.117 0.042 0.000 0.984 61 I CA -0.470 60.892 61.300 0.104 0.000 1.214 61 I CB 1.645 39.718 38.000 0.123 0.000 1.365 61 I HN 0.745 nan 8.210 nan 0.000 0.469 62 K N 3.725 124.136 120.400 0.017 0.000 2.422 62 K HA 0.624 4.944 4.320 -0.001 0.000 0.251 62 K C -0.545 176.019 176.600 -0.060 0.000 0.933 62 K CA -0.546 55.723 56.287 -0.030 0.000 0.798 62 K CB 2.972 35.442 32.500 -0.049 0.000 1.238 62 K HN 0.803 nan 8.250 nan 0.000 0.428 63 T N -1.010 113.505 114.554 -0.065 0.000 2.900 63 T HA 0.616 4.965 4.350 -0.001 0.000 0.295 63 T C -0.786 173.879 174.700 -0.059 0.000 1.044 63 T CA -0.908 61.145 62.100 -0.079 0.000 0.995 63 T CB 2.461 71.283 68.868 -0.076 0.000 1.072 63 T HN 0.487 nan 8.240 nan 0.000 0.473 64 K N 2.214 122.580 120.400 -0.057 0.000 2.550 64 K HA 0.588 4.908 4.320 -0.001 0.000 0.252 64 K C -1.758 174.828 176.600 -0.022 0.000 0.943 64 K CA -0.764 55.504 56.287 -0.031 0.000 0.806 64 K CB 1.850 34.337 32.500 -0.022 0.000 1.289 64 K HN 0.742 nan 8.250 nan 0.000 0.435 65 I N 2.357 122.923 120.570 -0.007 0.000 2.433 65 I HA 0.241 4.410 4.170 -0.001 0.000 0.292 65 I C -0.964 175.170 176.117 0.029 0.000 1.001 65 I CA -0.634 60.669 61.300 0.006 0.000 1.119 65 I CB 1.961 39.959 38.000 -0.003 0.000 1.289 65 I HN 0.610 nan 8.210 nan 0.000 0.438 66 D N 4.922 125.359 120.400 0.061 0.000 2.408 66 D HA 0.531 5.170 4.640 -0.001 0.000 0.261 66 D C 0.451 176.793 176.300 0.070 0.000 1.190 66 D CA 0.439 54.475 54.000 0.060 0.000 0.910 66 D CB 0.764 41.605 40.800 0.067 0.000 1.097 66 D HN 0.784 nan 8.370 nan 0.000 0.522 67 G N 4.095 112.922 108.800 0.045 0.000 2.559 67 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.282 67 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.282 67 G C 0.765 175.694 174.900 0.048 0.000 1.177 67 G CA 0.377 45.502 45.100 0.042 0.000 0.960 67 G HN 0.545 nan 8.290 nan 0.000 0.540 68 N N -0.433 118.308 118.700 0.068 0.000 2.236 68 N HA 0.342 5.081 4.740 -0.001 0.000 0.196 68 N C -0.040 175.531 175.510 0.101 0.000 1.114 68 N CA 0.125 53.213 53.050 0.064 0.000 0.859 68 N CB 0.549 39.070 38.487 0.057 0.000 0.982 68 N HN 0.449 nan 8.380 nan 0.000 0.493 69 Y N 0.836 121.129 120.300 -0.012 0.000 2.341 69 Y HA 0.639 5.188 4.550 -0.001 0.000 0.337 69 Y C 0.153 176.041 175.900 -0.021 0.000 1.014 69 Y CA -0.871 57.220 58.100 -0.016 0.000 1.111 69 Y CB 1.132 39.583 38.460 -0.014 0.000 1.194 69 Y HN -0.097 nan 8.280 nan 0.000 0.462 70 G N 5.919 114.462 108.800 -0.428 0.000 2.571 70 G HA2 0.641 4.601 3.960 -0.001 0.000 0.304 70 G HA3 0.641 4.601 3.960 -0.001 0.000 0.304 70 G C -1.931 172.723 174.900 -0.409 0.000 1.314 70 G CA -0.695 44.235 45.100 -0.283 0.000 0.975 70 G HN 0.468 nan 8.290 nan 0.000 0.485 71 I N 1.310 121.750 120.570 -0.217 0.000 2.569 71 I HA 0.538 4.707 4.170 -0.001 0.000 0.296 71 I C -0.560 175.442 176.117 -0.192 0.000 1.028 71 I CA -0.959 60.226 61.300 -0.191 0.000 1.082 71 I CB 1.835 39.794 38.000 -0.069 0.000 1.264 71 I HN 0.430 nan 8.210 nan 0.000 0.429 72 I N 6.438 126.850 120.570 -0.263 0.000 2.498 72 I HA 0.550 4.720 4.170 -0.001 0.000 0.290 72 I C -1.795 174.170 176.117 -0.253 0.000 1.032 72 I CA -0.752 60.344 61.300 -0.341 0.000 1.073 72 I CB 2.358 39.984 38.000 -0.622 0.000 1.251 72 I HN 0.471 nan 8.210 nan 0.000 0.426 73 L N 7.229 128.409 121.223 -0.072 0.000 2.422 73 L HA 0.576 4.915 4.340 -0.001 0.000 0.264 73 L C -1.297 175.693 176.870 0.199 0.000 0.984 73 L CA -0.068 54.825 54.840 0.088 0.000 0.819 73 L CB 1.999 44.051 42.059 -0.012 0.000 1.330 73 L HN 0.678 nan 8.230 nan 0.000 0.410 74 E N 3.244 123.590 120.200 0.243 0.000 2.187 74 E HA 0.688 5.038 4.350 -0.001 0.000 0.268 74 E C -1.941 174.726 176.600 0.111 0.000 0.896 74 E CA -0.752 55.754 56.400 0.176 0.000 0.766 74 E CB 1.947 31.723 29.700 0.126 0.000 1.142 74 E HN 0.532 nan 8.360 nan 0.000 0.408 75 V N 4.322 124.314 119.914 0.130 0.000 2.531 75 V HA 0.364 4.483 4.120 -0.001 0.000 0.301 75 V C -0.474 175.799 176.094 0.298 0.000 1.034 75 V CA -0.859 61.543 62.300 0.170 0.000 0.865 75 V CB 1.703 33.574 31.823 0.078 0.000 0.995 75 V HN 0.747 nan 8.190 nan 0.000 0.424 76 N N 2.398 121.248 118.700 0.250 0.000 2.477 76 N HA 0.851 5.591 4.740 -0.001 0.000 0.284 76 N C -0.520 175.114 175.510 0.205 0.000 1.182 76 N CA -0.518 52.648 53.050 0.194 0.000 0.949 76 N CB 1.966 40.512 38.487 0.098 0.000 1.204 76 N HN 0.925 nan 8.380 nan 0.000 0.526 77 C N -1.718 117.609 119.300 0.045 0.000 3.251 77 C HA 0.365 4.824 4.460 -0.001 0.000 0.376 77 C C 0.663 175.622 174.990 -0.052 0.000 1.791 77 C CA -0.512 58.481 59.018 -0.042 0.000 1.163 77 C CB 0.945 28.520 27.740 -0.276 0.000 2.128 77 C HN 0.727 nan 8.230 nan 0.000 0.429 78 Q N 0.554 120.321 119.800 -0.055 0.000 2.324 78 Q HA 0.225 4.564 4.340 -0.001 0.000 0.207 78 Q C 0.656 176.642 176.000 -0.024 0.000 0.928 78 Q CA 1.492 57.279 55.803 -0.027 0.000 0.890 78 Q CB 0.444 29.174 28.738 -0.014 0.000 1.001 78 Q HN 0.946 nan 8.270 nan 0.000 0.517 79 T N -1.661 112.877 114.554 -0.026 0.000 2.907 79 T HA 0.154 4.503 4.350 -0.001 0.000 0.292 79 T C 0.206 174.856 174.700 -0.083 0.000 1.043 79 T CA -0.611 61.495 62.100 0.010 0.000 1.003 79 T CB 1.625 70.611 68.868 0.197 0.000 1.084 79 T HN 0.054 nan 8.240 nan 0.000 0.483 80 D N 0.766 121.078 120.400 -0.148 0.000 2.310 80 D HA -0.072 4.568 4.640 -0.001 0.000 0.212 80 D C 1.277 177.422 176.300 -0.258 0.000 0.965 80 D CA 0.647 54.507 54.000 -0.233 0.000 0.879 80 D CB -0.562 40.091 40.800 -0.245 0.000 0.921 80 D HN 0.500 nan 8.370 nan 0.000 0.510 81 F N 0.920 120.829 119.950 -0.068 0.000 2.126 81 F HA -0.126 4.401 4.527 -0.001 0.000 0.299 81 F C 2.630 178.318 175.800 -0.186 0.000 1.096 81 F CA 0.839 58.776 58.000 -0.105 0.000 1.255 81 F CB -0.643 38.310 39.000 -0.077 0.000 0.997 81 F HN -0.091 nan 8.300 nan 0.000 0.479 82 V N -0.347 119.547 119.914 -0.034 0.000 2.453 82 V HA -0.196 3.923 4.120 -0.001 0.000 0.247 82 V C 2.530 178.361 176.094 -0.438 0.000 1.048 82 V CA 1.382 63.566 62.300 -0.193 0.000 1.049 82 V CB -1.212 30.490 31.823 -0.203 0.000 0.672 82 V HN 0.347 nan 8.190 nan 0.000 0.457 83 A N -0.056 122.447 122.820 -0.528 0.000 1.978 83 A HA -0.263 4.057 4.320 -0.001 0.000 0.220 83 A C 2.232 179.740 177.584 -0.127 0.000 1.170 83 A CA 1.992 53.699 52.037 -0.549 0.000 0.636 83 A CB -0.392 18.422 19.000 -0.309 0.000 0.810 83 A HN 0.558 nan 8.150 nan 0.000 0.448 84 K N -0.340 119.990 120.400 -0.116 0.000 2.365 84 K HA -0.006 4.313 4.320 -0.001 0.000 0.197 84 K C 0.161 176.773 176.600 0.019 0.000 1.042 84 K CA 0.354 56.610 56.287 -0.051 0.000 0.987 84 K CB -0.077 32.349 32.500 -0.124 0.000 0.779 84 K HN 0.625 nan 8.250 nan 0.000 0.484 85 D N -0.167 120.251 120.400 0.031 0.000 2.414 85 D HA 0.035 4.674 4.640 -0.001 0.000 0.242 85 D C 0.956 177.332 176.300 0.125 0.000 1.129 85 D CA 0.057 54.095 54.000 0.063 0.000 0.885 85 D CB 1.157 41.982 40.800 0.043 0.000 1.198 85 D HN 0.110 nan 8.370 nan 0.000 0.437 86 A N 3.089 125.964 122.820 0.092 0.000 1.933 86 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 86 A C 2.052 179.698 177.584 0.104 0.000 1.175 86 A CA 1.720 53.811 52.037 0.090 0.000 0.628 86 A CB -1.016 18.025 19.000 0.068 0.000 0.814 86 A HN 0.702 nan 8.150 nan 0.000 0.444 87 G N -1.384 107.483 108.800 0.111 0.000 2.402 87 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.216 87 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.216 87 G C 1.458 176.454 174.900 0.159 0.000 1.162 87 G CA 1.041 46.209 45.100 0.113 0.000 0.777 87 G HN 0.501 nan 8.290 nan 0.000 0.539 88 F N 1.211 121.186 119.950 0.043 0.000 2.102 88 F HA -0.073 4.453 4.527 -0.001 0.000 0.298 88 F C 2.901 178.767 175.800 0.111 0.000 1.105 88 F CA 1.791 59.831 58.000 0.065 0.000 1.239 88 F CB -0.018 38.999 39.000 0.027 0.000 0.991 88 F HN 0.060 nan 8.300 nan 0.000 0.474 89 Q N 0.529 120.438 119.800 0.182 0.000 2.096 89 Q HA -0.191 4.149 4.340 -0.001 0.000 0.204 89 Q C 2.516 178.499 176.000 -0.029 0.000 0.982 89 Q CA 1.564 57.401 55.803 0.057 0.000 0.850 89 Q CB -0.960 27.840 28.738 0.103 0.000 0.901 89 Q HN 0.569 nan 8.270 nan 0.000 0.422 90 A N 0.327 123.160 122.820 0.021 0.000 1.902 90 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 90 A C 1.933 179.507 177.584 -0.016 0.000 1.181 90 A CA 1.220 53.264 52.037 0.013 0.000 0.623 90 A CB -0.823 18.208 19.000 0.053 0.000 0.818 90 A HN 0.367 nan 8.150 nan 0.000 0.443 91 F N 1.085 120.934 119.950 -0.168 0.000 2.046 91 F HA -0.115 4.411 4.527 -0.001 0.000 0.297 91 F C 2.558 178.152 175.800 -0.342 0.000 1.123 91 F CA 1.509 59.372 58.000 -0.227 0.000 1.199 91 F CB -0.630 38.214 39.000 -0.259 0.000 0.972 91 F HN 0.243 nan 8.300 nan 0.000 0.474 92 A N -0.032 122.556 122.820 -0.387 0.000 1.908 92 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 92 A C 2.027 179.391 177.584 -0.368 0.000 1.181 92 A CA 2.038 53.798 52.037 -0.461 0.000 0.627 92 A CB -1.086 17.673 19.000 -0.402 0.000 0.818 92 A HN 0.510 nan 8.150 nan 0.000 0.445 93 D N -0.636 119.618 120.400 -0.245 0.000 2.117 93 D HA -0.137 4.503 4.640 -0.001 0.000 0.197 93 D C 1.908 178.091 176.300 -0.195 0.000 0.987 93 D CA 1.515 55.413 54.000 -0.170 0.000 0.829 93 D CB -0.194 40.550 40.800 -0.093 0.000 0.961 93 D HN 0.577 nan 8.370 nan 0.000 0.460 94 K N 0.753 121.010 120.400 -0.239 0.000 2.026 94 K HA -0.110 4.210 4.320 -0.001 0.000 0.208 94 K C 2.081 178.468 176.600 -0.354 0.000 1.048 94 K CA 0.793 56.964 56.287 -0.194 0.000 0.929 94 K CB 0.007 32.437 32.500 -0.116 0.000 0.713 94 K HN -0.108 nan 8.250 nan 0.000 0.439 95 V N 2.109 121.519 119.914 -0.839 0.000 2.255 95 V HA -0.291 3.828 4.120 -0.001 0.000 0.247 95 V C 2.318 178.156 176.094 -0.425 0.000 1.051 95 V CA 1.798 63.455 62.300 -1.071 0.000 1.018 95 V CB -0.588 30.514 31.823 -1.202 0.000 0.641 95 V HN 0.464 nan 8.190 nan 0.000 0.445 96 L N 0.298 121.332 121.223 -0.315 0.000 2.013 96 L HA -0.249 4.090 4.340 -0.001 0.000 0.212 96 L C 2.338 179.157 176.870 -0.084 0.000 1.073 96 L CA 2.550 57.294 54.840 -0.160 0.000 0.753 96 L CB -1.066 40.910 42.059 -0.138 0.000 0.890 96 L HN 0.403 nan 8.230 nan 0.000 0.432 97 D N 0.108 120.462 120.400 -0.077 0.000 2.144 97 D HA -0.135 4.504 4.640 -0.001 0.000 0.199 97 D C 2.192 178.503 176.300 0.019 0.000 0.984 97 D CA 1.469 55.457 54.000 -0.020 0.000 0.834 97 D CB 0.052 40.843 40.800 -0.015 0.000 0.955 97 D HN 0.487 nan 8.370 nan 0.000 0.465 98 A N 0.993 123.843 122.820 0.051 0.000 1.930 98 A HA 0.002 4.322 4.320 -0.001 0.000 0.217 98 A C 2.316 179.953 177.584 0.088 0.000 1.175 98 A CA 1.966 54.076 52.037 0.122 0.000 0.627 98 A CB -0.590 18.617 19.000 0.345 0.000 0.815 98 A HN 0.227 nan 8.150 nan 0.000 0.443 99 A N -0.526 122.329 122.820 0.058 0.000 1.902 99 A HA 0.008 4.327 4.320 -0.001 0.000 0.217 99 A C 2.239 179.883 177.584 0.099 0.000 1.181 99 A CA 1.821 53.898 52.037 0.067 0.000 0.623 99 A CB -0.867 18.152 19.000 0.031 0.000 0.818 99 A HN 0.354 nan 8.150 nan 0.000 0.443 100 V N -0.226 119.740 119.914 0.087 0.000 2.270 100 V HA -0.206 3.914 4.120 -0.001 0.000 0.245 100 V C 3.082 179.208 176.094 0.053 0.000 1.043 100 V CA 1.898 64.276 62.300 0.130 0.000 1.014 100 V CB -1.321 30.557 31.823 0.092 0.000 0.645 100 V HN 0.615 nan 8.190 nan 0.000 0.447 101 A N 0.534 123.368 122.820 0.024 0.000 1.873 101 A HA -0.137 4.183 4.320 -0.001 0.000 0.218 101 A C 2.128 179.689 177.584 -0.039 0.000 1.193 101 A CA 2.099 54.130 52.037 -0.010 0.000 0.629 101 A CB -1.151 17.850 19.000 0.002 0.000 0.826 101 A HN 0.607 nan 8.150 nan 0.000 0.447 102 G N -1.467 107.324 108.800 -0.016 0.000 3.383 102 G HA2 0.312 4.271 3.960 -0.001 0.000 0.251 102 G HA3 0.312 4.271 3.960 -0.001 0.000 0.251 102 G C 0.397 175.274 174.900 -0.037 0.000 1.203 102 G CA 0.144 45.227 45.100 -0.028 0.000 0.852 102 G HN 0.493 nan 8.290 nan 0.000 0.531 103 K N 0.046 120.404 120.400 -0.070 0.000 3.100 103 K HA -0.200 4.120 4.320 -0.001 0.000 0.261 103 K C -0.082 176.561 176.600 0.073 0.000 0.920 103 K CA 0.401 56.645 56.287 -0.071 0.000 0.683 103 K CB -1.238 31.060 32.500 -0.337 0.000 1.349 103 K HN 0.439 nan 8.250 nan 0.000 0.473 104 I N 1.315 121.939 120.570 0.089 0.000 2.363 104 I HA -0.016 4.153 4.170 -0.001 0.000 0.292 104 I C 1.689 177.866 176.117 0.100 0.000 1.075 104 I CA 0.134 61.484 61.300 0.083 0.000 1.333 104 I CB 0.846 38.892 38.000 0.077 0.000 1.415 104 I HN 0.219 nan 8.210 nan 0.000 0.502 105 T N -0.686 113.924 114.554 0.093 0.000 3.010 105 T HA 0.064 4.413 4.350 -0.001 0.000 0.257 105 T C 0.407 175.147 174.700 0.067 0.000 1.020 105 T CA -0.352 61.797 62.100 0.082 0.000 0.938 105 T CB -0.030 68.889 68.868 0.084 0.000 1.049 105 T HN 0.423 nan 8.240 nan 0.000 0.522 106 D N 1.908 122.345 120.400 0.062 0.000 2.352 106 D HA 0.163 4.802 4.640 -0.001 0.000 0.245 106 D C 1.290 177.627 176.300 0.060 0.000 1.224 106 D CA -0.315 53.718 54.000 0.054 0.000 0.879 106 D CB 1.391 42.218 40.800 0.046 0.000 1.057 106 D HN -0.043 nan 8.370 nan 0.000 0.491 107 V N 4.641 124.591 119.914 0.060 0.000 2.568 107 V HA -0.172 3.948 4.120 -0.001 0.000 0.253 107 V C 1.677 177.812 176.094 0.068 0.000 1.072 107 V CA 1.706 64.045 62.300 0.065 0.000 1.084 107 V CB -0.164 31.694 31.823 0.060 0.000 0.676 107 V HN 0.499 nan 8.190 nan 0.000 0.469 108 E N -0.230 120.005 120.200 0.058 0.000 2.107 108 E HA -0.093 4.256 4.350 -0.001 0.000 0.191 108 E C 2.240 178.877 176.600 0.062 0.000 0.982 108 E CA 1.314 57.748 56.400 0.057 0.000 0.809 108 E CB -0.424 29.302 29.700 0.044 0.000 0.756 108 E HN 0.555 nan 8.360 nan 0.000 0.459 109 V N 1.442 121.391 119.914 0.059 0.000 2.358 109 V HA -0.218 3.901 4.120 -0.001 0.000 0.246 109 V C 2.400 178.546 176.094 0.086 0.000 1.047 109 V CA 1.113 63.447 62.300 0.056 0.000 1.035 109 V CB -0.457 31.393 31.823 0.046 0.000 0.658 109 V HN 0.149 nan 8.190 nan 0.000 0.452 110 L N 0.074 121.364 121.223 0.112 0.000 1.976 110 L HA -0.153 4.186 4.340 -0.001 0.000 0.209 110 L C 2.421 179.437 176.870 0.243 0.000 1.071 110 L CA 1.972 56.922 54.840 0.183 0.000 0.746 110 L CB -0.854 41.279 42.059 0.123 0.000 0.890 110 L HN 0.228 nan 8.230 nan 0.000 0.432 111 K N -0.847 119.653 120.400 0.166 0.000 2.015 111 K HA -0.241 4.078 4.320 -0.001 0.000 0.216 111 K C 2.020 178.723 176.600 0.172 0.000 1.052 111 K CA 1.891 58.282 56.287 0.173 0.000 0.937 111 K CB -0.597 31.974 32.500 0.118 0.000 0.719 111 K HN 0.444 nan 8.250 nan 0.000 0.446 112 A N 1.123 124.010 122.820 0.111 0.000 1.978 112 A HA -0.263 4.057 4.320 -0.001 0.000 0.220 112 A C 2.071 179.682 177.584 0.045 0.000 1.170 112 A CA 1.727 53.806 52.037 0.071 0.000 0.636 112 A CB -0.506 18.520 19.000 0.044 0.000 0.810 112 A HN 0.465 nan 8.150 nan 0.000 0.448 113 Q N -2.264 117.557 119.800 0.035 0.000 2.311 113 Q HA 0.001 4.340 4.340 -0.001 0.000 0.203 113 Q C 0.539 176.355 176.000 -0.306 0.000 0.954 113 Q CA 0.932 56.650 55.803 -0.141 0.000 0.885 113 Q CB 0.008 28.627 28.738 -0.200 0.000 0.963 113 Q HN 0.657 nan 8.270 nan 0.000 0.471 114 F N -0.516 119.463 119.950 0.048 0.000 2.706 114 F HA 0.191 4.717 4.527 -0.001 0.000 0.313 114 F C 1.534 177.435 175.800 0.169 0.000 1.096 114 F CA -0.163 57.897 58.000 0.100 0.000 1.219 114 F CB 0.602 39.637 39.000 0.059 0.000 1.051 114 F HN 0.080 nan 8.300 nan 0.000 0.568 115 E N 1.380 121.719 120.200 0.232 0.000 2.160 115 E HA -0.250 4.099 4.350 -0.001 0.000 0.195 115 E C 2.003 178.684 176.600 0.134 0.000 0.991 115 E CA 1.763 58.266 56.400 0.172 0.000 0.810 115 E CB -0.046 29.717 29.700 0.106 0.000 0.742 115 E HN 0.522 nan 8.360 nan 0.000 0.466 116 E N -0.127 120.139 120.200 0.110 0.000 2.047 116 E HA -0.196 4.153 4.350 -0.001 0.000 0.191 116 E C 1.868 178.533 176.600 0.107 0.000 0.987 116 E CA 1.262 57.711 56.400 0.081 0.000 0.799 116 E CB -0.017 29.711 29.700 0.048 0.000 0.752 116 E HN 0.409 nan 8.360 nan 0.000 0.449 117 E N 0.283 120.596 120.200 0.187 0.000 2.106 117 E HA -0.206 4.144 4.350 -0.001 0.000 0.192 117 E C 2.249 178.925 176.600 0.127 0.000 0.984 117 E CA 0.582 57.122 56.400 0.234 0.000 0.806 117 E CB -0.153 29.816 29.700 0.447 0.000 0.750 117 E HN 0.142 nan 8.360 nan 0.000 0.458 118 R N 1.135 121.722 120.500 0.144 0.000 2.080 118 R HA -0.159 4.180 4.340 -0.001 0.000 0.236 118 R C 2.314 178.554 176.300 -0.100 0.000 1.137 118 R CA 1.471 57.482 56.100 -0.148 0.000 0.943 118 R CB -0.329 29.992 30.300 0.035 0.000 0.846 118 R HN 0.040 nan 8.270 nan 0.000 0.431 119 V N 1.135 121.047 119.914 -0.003 0.000 2.332 119 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 119 V C 2.476 178.565 176.094 -0.008 0.000 1.055 119 V CA 1.983 64.284 62.300 0.001 0.000 1.038 119 V CB -0.700 31.138 31.823 0.024 0.000 0.651 119 V HN 0.578 nan 8.190 nan 0.000 0.450 120 A N -0.737 122.085 122.820 0.002 0.000 2.015 120 A HA -0.118 4.202 4.320 -0.001 0.000 0.219 120 A C 2.094 179.667 177.584 -0.019 0.000 1.163 120 A CA 1.708 53.748 52.037 0.004 0.000 0.646 120 A CB -0.372 18.645 19.000 0.028 0.000 0.806 120 A HN 0.461 nan 8.150 nan 0.000 0.448 121 L N -0.536 120.646 121.223 -0.067 0.000 2.095 121 L HA 0.016 4.355 4.340 -0.001 0.000 0.204 121 L C 2.273 179.097 176.870 -0.076 0.000 1.080 121 L CA 1.462 56.242 54.840 -0.101 0.000 0.759 121 L CB -0.298 41.599 42.059 -0.271 0.000 0.914 121 L HN 0.111 nan 8.230 nan 0.000 0.439 122 V N 0.174 120.041 119.914 -0.079 0.000 2.515 122 V HA -0.248 3.871 4.120 -0.001 0.000 0.250 122 V C 2.782 178.869 176.094 -0.012 0.000 1.058 122 V CA 1.374 63.653 62.300 -0.035 0.000 1.064 122 V CB -1.279 30.529 31.823 -0.026 0.000 0.675 122 V HN 0.576 nan 8.190 nan 0.000 0.461 123 A N 1.428 124.241 122.820 -0.013 0.000 1.865 123 A HA -0.269 4.050 4.320 -0.001 0.000 0.217 123 A C 2.249 179.829 177.584 -0.007 0.000 1.191 123 A CA 2.390 54.426 52.037 -0.002 0.000 0.623 123 A CB -0.385 18.616 19.000 0.001 0.000 0.826 123 A HN 0.724 nan 8.150 nan 0.000 0.444 124 K N -1.252 119.139 120.400 -0.015 0.000 2.352 124 K HA 0.328 4.647 4.320 -0.001 0.000 0.194 124 K C 1.466 178.037 176.600 -0.048 0.000 1.038 124 K CA 0.683 56.956 56.287 -0.023 0.000 1.023 124 K CB -0.023 32.470 32.500 -0.012 0.000 0.840 124 K HN 0.447 nan 8.250 nan 0.000 0.519 125 I N 1.126 121.670 120.570 -0.042 0.000 2.867 125 I HA 0.070 4.239 4.170 -0.001 0.000 0.265 125 I C 1.059 177.127 176.117 -0.081 0.000 1.162 125 I CA 0.845 62.108 61.300 -0.061 0.000 1.471 125 I CB 0.098 38.090 38.000 -0.014 0.000 1.123 125 I HN 0.540 nan 8.210 nan 0.000 0.440 126 G N 1.795 110.589 108.800 -0.010 0.000 2.143 126 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.249 126 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.249 126 G C 0.018 175.048 174.900 0.217 0.000 0.981 126 G CA -0.058 45.092 45.100 0.082 0.000 0.665 126 G HN 0.445 nan 8.290 nan 0.000 0.528 127 E N -0.468 119.810 120.200 0.131 0.000 2.244 127 E HA 0.370 4.720 4.350 -0.001 0.000 0.266 127 E C -0.399 176.228 176.600 0.046 0.000 0.914 127 E CA -1.117 55.338 56.400 0.093 0.000 0.794 127 E CB 0.930 30.671 29.700 0.068 0.000 1.210 127 E HN 0.088 nan 8.360 nan 0.000 0.414 128 N N 2.467 121.186 118.700 0.032 0.000 2.400 128 N HA 0.082 4.822 4.740 -0.001 0.000 0.267 128 N C -1.190 174.341 175.510 0.036 0.000 1.208 128 N CA 0.336 53.402 53.050 0.027 0.000 0.951 128 N CB -0.054 38.446 38.487 0.023 0.000 1.227 128 N HN 0.378 nan 8.380 nan 0.000 0.488 129 I N 2.829 123.419 120.570 0.034 0.000 2.412 129 I HA 0.353 4.522 4.170 -0.001 0.000 0.296 129 I C -0.202 175.949 176.117 0.057 0.000 0.987 129 I CA -0.755 60.586 61.300 0.067 0.000 1.180 129 I CB 1.269 39.285 38.000 0.026 0.000 1.340 129 I HN 0.407 nan 8.210 nan 0.000 0.455 130 N N 5.908 124.676 118.700 0.113 0.000 2.371 130 N HA 0.459 5.199 4.740 -0.001 0.000 0.280 130 N C -0.926 174.675 175.510 0.152 0.000 1.084 130 N CA -0.515 52.604 53.050 0.115 0.000 0.892 130 N CB 2.667 41.202 38.487 0.081 0.000 1.653 130 N HN 0.402 nan 8.380 nan 0.000 0.480 131 I N 1.828 122.496 120.570 0.164 0.000 2.533 131 I HA 0.128 4.298 4.170 -0.001 0.000 0.284 131 I C 1.866 178.034 176.117 0.085 0.000 1.109 131 I CA 0.072 61.444 61.300 0.121 0.000 1.412 131 I CB 1.173 39.229 38.000 0.093 0.000 1.396 131 I HN 0.439 nan 8.210 nan 0.000 0.543 132 R N 6.645 127.186 120.500 0.067 0.000 2.038 132 R HA 0.218 4.557 4.340 -0.001 0.000 0.214 132 R C 0.223 176.538 176.300 0.024 0.000 1.249 132 R CA 0.423 56.545 56.100 0.036 0.000 1.025 132 R CB 0.515 30.821 30.300 0.010 0.000 0.911 132 R HN 0.715 nan 8.270 nan 0.000 0.456 133 R N -0.359 120.161 120.500 0.034 0.000 2.774 133 R HA 0.599 4.939 4.340 -0.001 0.000 0.272 133 R C -1.544 174.871 176.300 0.192 0.000 1.000 133 R CA -0.870 55.268 56.100 0.063 0.000 0.906 133 R CB 2.043 32.306 30.300 -0.060 0.000 1.227 133 R HN 0.027 nan 8.270 nan 0.000 0.468 134 V N 0.003 120.041 119.914 0.206 0.000 2.932 134 V HA 0.868 4.987 4.120 -0.001 0.000 0.307 134 V C -1.549 174.639 176.094 0.157 0.000 1.147 134 V CA -0.210 62.202 62.300 0.186 0.000 0.951 134 V CB 1.919 33.795 31.823 0.088 0.000 1.031 134 V HN 1.189 nan 8.190 nan 0.000 0.426 135 A N 4.521 127.373 122.820 0.054 0.000 2.594 135 A HA 1.083 5.403 4.320 -0.001 0.000 0.291 135 A C -0.712 176.789 177.584 -0.139 0.000 1.105 135 A CA -0.197 51.831 52.037 -0.015 0.000 0.694 135 A CB 1.951 20.963 19.000 0.021 0.000 1.291 135 A HN 2.304 nan 8.150 nan 0.000 0.410 136 A N -0.242 122.485 122.820 -0.154 0.000 2.454 136 A HA 0.848 5.167 4.320 -0.001 0.000 0.302 136 A C -1.632 175.783 177.584 -0.283 0.000 1.079 136 A CA -0.452 51.403 52.037 -0.303 0.000 0.731 136 A CB 1.553 20.353 19.000 -0.334 0.000 1.299 136 A HN 1.907 nan 8.150 nan 0.000 0.413 137 L N 0.515 121.517 121.223 -0.367 0.000 2.445 137 L HA 0.679 5.018 4.340 -0.001 0.000 0.262 137 L C -0.719 176.011 176.870 -0.232 0.000 0.974 137 L CA 0.038 54.739 54.840 -0.232 0.000 0.822 137 L CB 2.102 44.061 42.059 -0.167 0.000 1.339 137 L HN 0.864 nan 8.230 nan 0.000 0.409 138 E N 2.323 122.456 120.200 -0.113 0.000 2.336 138 E HA 0.888 5.237 4.350 -0.001 0.000 0.267 138 E C -0.850 175.740 176.600 -0.017 0.000 0.906 138 E CA -0.993 55.383 56.400 -0.041 0.000 0.781 138 E CB 2.399 32.120 29.700 0.035 0.000 1.261 138 E HN 0.863 nan 8.360 nan 0.000 0.436 139 G N 0.701 109.503 108.800 0.002 0.000 2.356 139 G HA2 0.053 4.012 3.960 -0.001 0.000 0.294 139 G HA3 0.053 4.012 3.960 -0.001 0.000 0.294 139 G C -0.513 174.393 174.900 0.009 0.000 1.423 139 G CA -0.640 44.462 45.100 0.004 0.000 0.806 139 G HN 0.418 nan 8.290 nan 0.000 0.527 140 D N -1.209 119.195 120.400 0.006 0.000 2.116 140 D HA -0.042 4.598 4.640 -0.001 0.000 0.193 140 D C 1.261 177.562 176.300 0.003 0.000 0.998 140 D CA 1.909 55.912 54.000 0.005 0.000 0.836 140 D CB 0.068 40.869 40.800 0.002 0.000 0.951 140 D HN 0.319 nan 8.370 nan 0.000 0.449 141 V N 1.032 120.945 119.914 -0.002 0.000 2.525 141 V HA 0.344 4.463 4.120 -0.001 0.000 0.299 141 V C -0.188 175.902 176.094 -0.007 0.000 1.034 141 V CA -0.719 61.577 62.300 -0.006 0.000 0.863 141 V CB 2.396 34.210 31.823 -0.015 0.000 0.999 141 V HN -0.042 nan 8.190 nan 0.000 0.423 142 L N 3.692 124.912 121.223 -0.005 0.000 2.317 142 L HA 0.924 5.263 4.340 -0.001 0.000 0.281 142 L C 0.594 177.461 176.870 -0.005 0.000 1.024 142 L CA -0.146 54.689 54.840 -0.008 0.000 0.810 142 L CB 1.994 44.044 42.059 -0.015 0.000 1.240 142 L HN 0.841 nan 8.230 nan 0.000 0.427 143 G N 0.811 109.612 108.800 0.001 0.000 2.619 143 G HA2 0.683 4.643 3.960 -0.001 0.000 0.296 143 G HA3 0.683 4.643 3.960 -0.001 0.000 0.296 143 G C -1.366 173.553 174.900 0.032 0.000 1.334 143 G CA -0.349 44.759 45.100 0.014 0.000 0.934 143 G HN 0.575 nan 8.290 nan 0.000 0.476 144 S N -0.915 114.820 115.700 0.058 0.000 2.588 144 S HA 0.769 5.238 4.470 -0.001 0.000 0.275 144 S C -1.763 172.942 174.600 0.175 0.000 1.130 144 S CA -0.857 57.390 58.200 0.078 0.000 0.855 144 S CB 2.216 65.432 63.200 0.027 0.000 1.116 144 S HN 1.249 nan 8.310 nan 0.000 0.472 145 Y N 0.970 121.286 120.300 0.027 0.000 2.396 145 Y HA 0.498 5.047 4.550 -0.001 0.000 0.332 145 Y C -1.398 174.532 175.900 0.050 0.000 1.034 145 Y CA -0.517 57.612 58.100 0.050 0.000 1.057 145 Y CB 1.868 40.371 38.460 0.073 0.000 1.220 145 Y HN 0.758 nan 8.280 nan 0.000 0.440 146 Q N 4.675 124.129 119.800 -0.576 0.000 2.325 146 Q HA 0.159 4.499 4.340 -0.001 0.000 0.262 146 Q C -1.286 174.194 176.000 -0.867 0.000 0.968 146 Q CA -0.605 54.890 55.803 -0.513 0.000 0.877 146 Q CB 1.406 29.986 28.738 -0.264 0.000 1.253 146 Q HN 0.805 nan 8.270 nan 0.000 0.448 147 H N 1.672 120.371 119.070 -0.618 0.000 2.702 147 H HA 0.385 4.941 4.556 -0.001 0.000 0.252 147 H C 0.723 175.945 175.328 -0.177 0.000 1.493 147 H CA 1.148 56.983 56.048 -0.356 0.000 1.273 147 H CB -0.157 29.576 29.762 -0.047 0.000 1.537 147 H HN 0.966 nan 8.280 nan 0.000 0.547 148 G N 2.094 110.713 108.800 -0.302 0.000 2.569 148 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.259 148 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.259 148 G C 0.985 175.823 174.900 -0.103 0.000 1.263 148 G CA 0.173 45.161 45.100 -0.187 0.000 0.928 148 G HN 0.881 nan 8.290 nan 0.000 0.572 149 A N -1.067 121.717 122.820 -0.059 0.000 2.178 149 A HA 0.304 4.624 4.320 -0.001 0.000 0.211 149 A C 2.329 179.921 177.584 0.014 0.000 1.157 149 A CA 1.664 53.691 52.037 -0.017 0.000 0.780 149 A CB -0.112 18.884 19.000 -0.005 0.000 0.828 149 A HN 0.491 nan 8.150 nan 0.000 0.476 150 R N -0.509 120.000 120.500 0.016 0.000 2.140 150 R HA 0.301 4.640 4.340 -0.001 0.000 0.213 150 R C -0.131 176.208 176.300 0.065 0.000 1.059 150 R CA 0.673 56.798 56.100 0.041 0.000 1.000 150 R CB 0.003 30.330 30.300 0.044 0.000 0.910 150 R HN 0.441 nan 8.270 nan 0.000 0.455 151 I N 0.097 120.709 120.570 0.070 0.000 2.499 151 I HA 0.368 4.537 4.170 -0.001 0.000 0.288 151 I C -0.187 175.967 176.117 0.062 0.000 1.048 151 I CA -0.864 60.490 61.300 0.089 0.000 1.062 151 I CB 2.295 40.357 38.000 0.102 0.000 1.238 151 I HN -0.062 nan 8.210 nan 0.000 0.426 152 G N 4.941 113.792 108.800 0.085 0.000 2.495 152 G HA2 0.721 4.680 3.960 -0.001 0.000 0.318 152 G HA3 0.721 4.680 3.960 -0.001 0.000 0.318 152 G C -1.401 173.530 174.900 0.053 0.000 1.257 152 G CA -0.484 44.638 45.100 0.036 0.000 0.962 152 G HN 0.319 nan 8.290 nan 0.000 0.483 153 V N 2.235 122.180 119.914 0.052 0.000 2.686 153 V HA 0.504 4.624 4.120 -0.001 0.000 0.306 153 V C -0.398 175.717 176.094 0.036 0.000 1.065 153 V CA -0.638 61.707 62.300 0.075 0.000 0.894 153 V CB 1.841 33.754 31.823 0.151 0.000 1.004 153 V HN 0.647 nan 8.190 nan 0.000 0.424 154 L N 4.609 125.837 121.223 0.008 0.000 2.329 154 L HA 0.780 5.119 4.340 -0.001 0.000 0.279 154 L C -0.959 175.948 176.870 0.062 0.000 1.014 154 L CA -0.832 54.005 54.840 -0.005 0.000 0.814 154 L CB 2.115 44.120 42.059 -0.090 0.000 1.257 154 L HN 0.357 nan 8.230 nan 0.000 0.424 155 V N 2.056 122.001 119.914 0.052 0.000 2.638 155 V HA 0.685 4.804 4.120 -0.001 0.000 0.306 155 V C -0.221 175.894 176.094 0.035 0.000 1.052 155 V CA -0.562 61.785 62.300 0.077 0.000 0.885 155 V CB 1.872 33.733 31.823 0.063 0.000 0.999 155 V HN 0.842 nan 8.190 nan 0.000 0.424 156 A N 3.611 126.456 122.820 0.042 0.000 2.318 156 A HA 1.019 5.338 4.320 -0.001 0.000 0.324 156 A C -0.068 177.527 177.584 0.020 0.000 1.170 156 A CA 0.138 52.184 52.037 0.015 0.000 0.810 156 A CB 1.517 20.518 19.000 0.001 0.000 1.198 156 A HN 1.487 nan 8.150 nan 0.000 0.484 157 A N 2.094 124.915 122.820 0.003 0.000 2.525 157 A HA 0.940 5.260 4.320 -0.001 0.000 0.291 157 A C -0.708 176.872 177.584 -0.007 0.000 1.268 157 A CA -0.657 51.377 52.037 -0.005 0.000 0.712 157 A CB 1.339 20.324 19.000 -0.025 0.000 1.320 157 A HN 0.721 nan 8.150 nan 0.000 0.456 158 K N -1.106 119.287 120.400 -0.012 0.000 2.535 158 K HA 0.485 4.804 4.320 -0.001 0.000 0.251 158 K C 0.155 176.749 176.600 -0.010 0.000 0.942 158 K CA 0.201 56.484 56.287 -0.008 0.000 0.798 158 K CB 1.714 34.213 32.500 -0.002 0.000 1.267 158 K HN 2.127 nan 8.250 nan 0.000 0.434 159 G N 1.322 110.118 108.800 -0.007 0.000 2.198 159 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.260 159 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.260 159 G C -0.337 174.562 174.900 -0.002 0.000 1.025 159 G CA 0.551 45.650 45.100 -0.002 0.000 0.769 159 G HN 0.717 nan 8.290 nan 0.000 0.507 160 A N -0.100 122.709 122.820 -0.018 0.000 2.386 160 A HA 0.731 5.051 4.320 -0.001 0.000 0.311 160 A C 0.011 177.571 177.584 -0.040 0.000 1.068 160 A CA 0.086 52.100 52.037 -0.039 0.000 0.743 160 A CB 1.335 20.290 19.000 -0.075 0.000 1.258 160 A HN 0.665 nan 8.150 nan 0.000 0.429 161 D N 1.116 121.489 120.400 -0.046 0.000 2.387 161 D HA 0.239 4.878 4.640 -0.001 0.000 0.251 161 D C 0.544 176.799 176.300 -0.075 0.000 1.141 161 D CA -0.371 53.602 54.000 -0.046 0.000 0.987 161 D CB 0.568 41.349 40.800 -0.032 0.000 1.116 161 D HN 0.386 nan 8.370 nan 0.000 0.491 162 E N -0.422 119.741 120.200 -0.061 0.000 2.097 162 E HA -0.243 4.106 4.350 -0.001 0.000 0.196 162 E C 1.775 178.309 176.600 -0.110 0.000 1.000 162 E CA 2.190 58.552 56.400 -0.063 0.000 0.804 162 E CB -0.197 29.480 29.700 -0.039 0.000 0.740 162 E HN 0.800 nan 8.360 nan 0.000 0.454 163 E N 0.097 120.200 120.200 -0.162 0.000 2.158 163 E HA -0.098 4.251 4.350 -0.001 0.000 0.191 163 E C 2.109 178.395 176.600 -0.523 0.000 0.982 163 E CA 0.518 56.730 56.400 -0.314 0.000 0.823 163 E CB -0.411 29.116 29.700 -0.288 0.000 0.766 163 E HN 0.260 nan 8.360 nan 0.000 0.468 164 L N 0.931 121.948 121.223 -0.343 0.000 2.017 164 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 164 L C 2.354 179.089 176.870 -0.225 0.000 1.073 164 L CA 1.201 55.844 54.840 -0.327 0.000 0.745 164 L CB -0.132 41.747 42.059 -0.300 0.000 0.894 164 L HN 0.157 nan 8.230 nan 0.000 0.432 165 V N -0.121 119.698 119.914 -0.159 0.000 2.343 165 V HA -0.317 3.803 4.120 -0.001 0.000 0.247 165 V C 2.581 178.651 176.094 -0.040 0.000 1.051 165 V CA 1.850 64.099 62.300 -0.085 0.000 1.036 165 V CB -0.711 31.079 31.823 -0.055 0.000 0.654 165 V HN 0.444 nan 8.190 nan 0.000 0.451 166 K N -0.401 119.964 120.400 -0.058 0.000 2.032 166 K HA -0.210 4.110 4.320 -0.001 0.000 0.209 166 K C 2.143 178.802 176.600 0.098 0.000 1.048 166 K CA 2.030 58.331 56.287 0.023 0.000 0.927 166 K CB -0.307 32.202 32.500 0.015 0.000 0.712 166 K HN 0.666 nan 8.250 nan 0.000 0.441 167 H N 0.070 119.130 119.070 -0.016 0.000 2.353 167 H HA -0.092 4.463 4.556 -0.001 0.000 0.300 167 H C 2.160 177.547 175.328 0.099 0.000 1.090 167 H CA 0.990 57.056 56.048 0.030 0.000 1.327 167 H CB 0.138 29.969 29.762 0.115 0.000 1.383 167 H HN 0.140 nan 8.280 nan 0.000 0.508 168 I N 1.047 121.703 120.570 0.142 0.000 2.226 168 I HA -0.214 3.956 4.170 -0.001 0.000 0.245 168 I C 2.804 178.967 176.117 0.075 0.000 1.100 168 I CA 1.041 62.378 61.300 0.062 0.000 1.374 168 I CB -1.313 36.646 38.000 -0.067 0.000 1.057 168 I HN 0.255 nan 8.210 nan 0.000 0.413 169 A N 0.875 123.729 122.820 0.057 0.000 1.908 169 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 169 A C 2.402 180.008 177.584 0.036 0.000 1.181 169 A CA 1.713 53.793 52.037 0.071 0.000 0.627 169 A CB -0.578 18.495 19.000 0.121 0.000 0.818 169 A HN 0.364 nan 8.150 nan 0.000 0.445 170 M N -1.888 117.650 119.600 -0.103 0.000 2.159 170 M HA -0.151 4.328 4.480 -0.001 0.000 0.263 170 M C 2.181 178.410 176.300 -0.117 0.000 1.063 170 M CA 2.008 57.082 55.300 -0.377 0.000 1.110 170 M CB -0.556 31.744 32.600 -0.500 0.000 1.374 170 M HN 0.742 nan 8.290 nan 0.000 0.411 171 H N 0.224 119.260 119.070 -0.058 0.000 2.293 171 H HA -0.121 4.435 4.556 -0.001 0.000 0.300 171 H C 1.849 177.136 175.328 -0.067 0.000 1.082 171 H CA 2.069 58.107 56.048 -0.017 0.000 1.308 171 H CB -0.087 29.745 29.762 0.116 0.000 1.375 171 H HN 0.051 nan 8.280 nan 0.000 0.495 172 V N 0.940 120.859 119.914 0.008 0.000 2.380 172 V HA -0.326 3.794 4.120 -0.001 0.000 0.251 172 V C 2.715 178.745 176.094 -0.107 0.000 1.063 172 V CA 1.803 64.031 62.300 -0.121 0.000 1.055 172 V CB -1.283 30.435 31.823 -0.176 0.000 0.657 172 V HN 0.735 nan 8.190 nan 0.000 0.455 173 A N -0.522 122.272 122.820 -0.044 0.000 1.972 173 A HA -0.028 4.292 4.320 -0.001 0.000 0.219 173 A C 2.332 179.844 177.584 -0.119 0.000 1.169 173 A CA 2.034 54.067 52.037 -0.007 0.000 0.635 173 A CB -0.501 18.588 19.000 0.150 0.000 0.810 173 A HN 0.580 nan 8.150 nan 0.000 0.446 174 A N -1.497 121.198 122.820 -0.209 0.000 1.911 174 A HA 0.165 4.484 4.320 -0.001 0.000 0.212 174 A C 2.176 179.613 177.584 -0.245 0.000 1.189 174 A CA 1.567 53.450 52.037 -0.257 0.000 0.639 174 A CB -0.257 18.569 19.000 -0.290 0.000 0.839 174 A HN 0.385 nan 8.150 nan 0.000 0.449 175 S N -0.529 114.965 115.700 -0.344 0.000 2.524 175 S HA 0.137 4.606 4.470 -0.001 0.000 0.215 175 S C 0.036 174.538 174.600 -0.162 0.000 0.986 175 S CA 0.012 58.036 58.200 -0.295 0.000 0.911 175 S CB -0.041 62.852 63.200 -0.512 0.000 0.805 175 S HN 0.574 nan 8.310 nan 0.000 0.501 176 K N 1.172 121.492 120.400 -0.134 0.000 3.278 176 K HA -0.138 4.181 4.320 -0.001 0.000 0.270 176 K C -2.826 173.767 176.600 -0.012 0.000 0.955 176 K CA 0.264 56.523 56.287 -0.045 0.000 0.723 176 K CB -1.783 30.705 32.500 -0.020 0.000 1.382 176 K HN 0.358 nan 8.250 nan 0.000 0.461 177 P HA -0.046 nan 4.420 nan 0.000 0.269 177 P C 0.182 177.591 177.300 0.181 0.000 1.209 177 P CA 0.298 63.426 63.100 0.046 0.000 0.776 177 P CB 0.763 32.436 31.700 -0.045 0.000 0.876 178 E N 0.642 120.901 120.200 0.099 0.000 2.140 178 E HA 0.046 4.395 4.350 -0.001 0.000 0.191 178 E C 0.089 176.464 176.600 -0.374 0.000 0.973 178 E CA 0.800 57.084 56.400 -0.194 0.000 0.829 178 E CB 0.030 29.449 29.700 -0.469 0.000 0.781 178 E HN 0.453 nan 8.360 nan 0.000 0.466 179 F N -1.029 119.062 119.950 0.234 0.000 2.618 179 F HA 0.343 4.870 4.527 -0.001 0.000 0.332 179 F C 1.098 177.095 175.800 0.328 0.000 1.061 179 F CA -0.879 57.233 58.000 0.187 0.000 0.974 179 F CB 0.894 39.940 39.000 0.076 0.000 1.310 179 F HN -0.248 nan 8.300 nan 0.000 0.491 180 I N 0.050 120.899 120.570 0.465 0.000 2.206 180 I HA -0.033 4.137 4.170 -0.001 0.000 0.239 180 I C 0.308 176.554 176.117 0.214 0.000 1.078 180 I CA 1.188 62.711 61.300 0.371 0.000 1.367 180 I CB -0.093 38.062 38.000 0.257 0.000 1.078 180 I HN 0.393 nan 8.210 nan 0.000 0.413 181 K N -0.129 120.370 120.400 0.166 0.000 2.328 181 K HA 0.304 4.623 4.320 -0.001 0.000 0.246 181 K C -2.028 174.589 176.600 0.028 0.000 0.955 181 K CA -1.715 54.618 56.287 0.078 0.000 0.817 181 K CB 1.895 34.421 32.500 0.045 0.000 1.208 181 K HN -0.333 nan 8.250 nan 0.000 0.432 182 P HA -0.234 nan 4.420 nan 0.000 0.216 182 P C 0.267 177.498 177.300 -0.114 0.000 1.157 182 P CA 1.548 64.607 63.100 -0.068 0.000 0.880 182 P CB 0.256 31.934 31.700 -0.036 0.000 0.791 183 E N -0.582 119.577 120.200 -0.069 0.000 2.160 183 E HA -0.180 4.169 4.350 -0.001 0.000 0.195 183 E C 1.560 178.100 176.600 -0.099 0.000 0.991 183 E CA 1.230 57.588 56.400 -0.071 0.000 0.810 183 E CB -0.929 28.750 29.700 -0.036 0.000 0.742 183 E HN 0.330 nan 8.360 nan 0.000 0.466 184 D N 0.385 120.731 120.400 -0.091 0.000 2.264 184 D HA -0.063 4.576 4.640 -0.001 0.000 0.208 184 D C 0.106 176.250 176.300 -0.261 0.000 0.966 184 D CA 0.362 54.322 54.000 -0.067 0.000 0.864 184 D CB -0.130 40.717 40.800 0.078 0.000 0.933 184 D HN 0.012 nan 8.370 nan 0.000 0.499 185 V N 2.448 121.995 119.914 -0.612 0.000 2.539 185 V HA -0.105 4.014 4.120 -0.001 0.000 0.300 185 V C 0.673 176.515 176.094 -0.421 0.000 1.019 185 V CA -0.136 61.507 62.300 -1.095 0.000 1.160 185 V CB 0.080 31.412 31.823 -0.819 0.000 0.901 185 V HN 0.213 nan 8.190 nan 0.000 0.481 186 S N 4.448 120.020 115.700 -0.214 0.000 3.159 186 S HA -0.008 4.462 4.470 -0.001 0.000 0.375 186 S C 1.428 176.008 174.600 -0.034 0.000 1.068 186 S CA 0.049 58.241 58.200 -0.013 0.000 1.678 186 S CB 0.127 63.391 63.200 0.106 0.000 1.160 186 S HN 1.120 nan 8.310 nan 0.000 0.605 187 A N 2.906 125.698 122.820 -0.047 0.000 2.131 187 A HA -0.160 4.159 4.320 -0.001 0.000 0.220 187 A C 2.105 179.679 177.584 -0.016 0.000 1.158 187 A CA 1.271 53.282 52.037 -0.043 0.000 0.665 187 A CB -0.459 18.514 19.000 -0.045 0.000 0.795 187 A HN 0.956 nan 8.150 nan 0.000 0.460 188 E N -1.119 119.083 120.200 0.003 0.000 2.474 188 E HA 0.125 4.474 4.350 -0.001 0.000 0.194 188 E C 1.196 177.816 176.600 0.032 0.000 1.041 188 E CA 0.597 57.006 56.400 0.015 0.000 0.874 188 E CB -0.064 29.646 29.700 0.017 0.000 0.914 188 E HN 0.273 nan 8.360 nan 0.000 0.498 189 V N 1.662 121.604 119.914 0.045 0.000 3.608 189 V HA -0.037 4.083 4.120 -0.001 0.000 0.269 189 V C 1.698 177.838 176.094 0.078 0.000 1.245 189 V CA 0.744 63.087 62.300 0.071 0.000 1.138 189 V CB 0.827 32.714 31.823 0.107 0.000 0.841 189 V HN 0.403 nan 8.190 nan 0.000 0.451 190 V N -3.247 116.705 119.914 0.064 0.000 3.635 190 V HA 0.267 4.387 4.120 -0.001 0.000 0.266 190 V C 1.849 177.988 176.094 0.075 0.000 1.316 190 V CA 1.077 63.423 62.300 0.077 0.000 1.060 190 V CB 0.281 32.163 31.823 0.099 0.000 0.820 190 V HN 0.477 nan 8.190 nan 0.000 0.447 191 E N 2.157 122.388 120.200 0.051 0.000 2.371 191 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 191 E C 1.993 178.656 176.600 0.104 0.000 1.012 191 E CA 1.106 57.543 56.400 0.062 0.000 0.860 191 E CB 0.200 29.903 29.700 0.004 0.000 0.811 191 E HN 0.890 nan 8.360 nan 0.000 0.502 192 K N 0.170 120.612 120.400 0.071 0.000 2.186 192 K HA -0.054 4.265 4.320 -0.001 0.000 0.202 192 K C 1.933 178.560 176.600 0.045 0.000 1.052 192 K CA 0.990 57.311 56.287 0.056 0.000 0.965 192 K CB -0.057 32.466 32.500 0.038 0.000 0.746 192 K HN -0.045 nan 8.250 nan 0.000 0.457 193 E N 0.197 120.421 120.200 0.040 0.000 2.358 193 E HA -0.153 4.197 4.350 -0.001 0.000 0.195 193 E C 1.439 178.037 176.600 -0.002 0.000 1.010 193 E CA 0.276 56.669 56.400 -0.012 0.000 0.856 193 E CB -0.003 29.661 29.700 -0.060 0.000 0.795 193 E HN 0.531 nan 8.360 nan 0.000 0.504 194 Y N 0.244 120.510 120.300 -0.058 0.000 2.420 194 Y HA 0.019 4.569 4.550 -0.001 0.000 0.292 194 Y C 2.001 177.880 175.900 -0.036 0.000 1.119 194 Y CA 0.970 59.041 58.100 -0.048 0.000 1.229 194 Y CB 0.354 38.795 38.460 -0.030 0.000 1.026 194 Y HN 0.013 nan 8.280 nan 0.000 0.554 195 Q N -0.666 119.179 119.800 0.075 0.000 2.398 195 Q HA 0.046 4.385 4.340 -0.001 0.000 0.204 195 Q C 1.780 177.742 176.000 -0.063 0.000 0.932 195 Q CA 0.762 56.566 55.803 0.003 0.000 0.916 195 Q CB 0.176 28.961 28.738 0.078 0.000 1.024 195 Q HN 0.421 nan 8.270 nan 0.000 0.504 196 V N -0.187 119.689 119.914 -0.063 0.000 2.599 196 V HA -0.109 4.011 4.120 -0.001 0.000 0.245 196 V C 1.896 177.923 176.094 -0.111 0.000 1.046 196 V CA 1.079 63.336 62.300 -0.071 0.000 1.065 196 V CB 0.013 31.805 31.823 -0.051 0.000 0.703 196 V HN 0.299 nan 8.190 nan 0.000 0.464 197 Q N 0.175 119.880 119.800 -0.159 0.000 2.123 197 Q HA -0.077 4.263 4.340 -0.001 0.000 0.199 197 Q C 2.188 178.060 176.000 -0.213 0.000 0.966 197 Q CA 1.417 57.110 55.803 -0.182 0.000 0.845 197 Q CB -0.319 28.299 28.738 -0.200 0.000 0.907 197 Q HN 0.721 nan 8.270 nan 0.000 0.439 198 L N -1.356 119.681 121.223 -0.310 0.000 2.395 198 L HA 0.081 4.420 4.340 -0.001 0.000 0.218 198 L C 1.099 177.870 176.870 -0.165 0.000 1.130 198 L CA 1.431 56.098 54.840 -0.289 0.000 0.826 198 L CB -0.365 41.427 42.059 -0.445 0.000 0.941 198 L HN -0.182 nan 8.230 nan 0.000 0.451 199 D N 0.988 121.308 120.400 -0.133 0.000 2.103 199 D HA -0.081 4.559 4.640 -0.001 0.000 0.199 199 D C 2.244 178.499 176.300 -0.074 0.000 0.978 199 D CA 1.899 55.849 54.000 -0.084 0.000 0.829 199 D CB -0.187 40.574 40.800 -0.065 0.000 0.981 199 D HN 0.426 nan 8.370 nan 0.000 0.464 200 I N 1.006 121.528 120.570 -0.080 0.000 2.145 200 I HA -0.338 3.831 4.170 -0.001 0.000 0.244 200 I C 2.373 178.452 176.117 -0.063 0.000 1.075 200 I CA 1.459 62.719 61.300 -0.066 0.000 1.332 200 I CB -0.370 37.587 38.000 -0.071 0.000 1.033 200 I HN -0.024 nan 8.210 nan 0.000 0.410 201 A N 0.125 122.898 122.820 -0.079 0.000 1.897 201 A HA -0.081 4.239 4.320 -0.001 0.000 0.215 201 A C 2.242 179.793 177.584 -0.055 0.000 1.181 201 A CA 1.148 53.145 52.037 -0.067 0.000 0.620 201 A CB -0.459 18.492 19.000 -0.083 0.000 0.821 201 A HN 0.367 nan 8.150 nan 0.000 0.443 202 M N 0.751 120.315 119.600 -0.061 0.000 2.696 202 M HA -0.051 4.428 4.480 -0.001 0.000 0.220 202 M C 1.651 177.930 176.300 -0.035 0.000 1.133 202 M CA 0.501 55.773 55.300 -0.046 0.000 1.016 202 M CB -0.123 32.447 32.600 -0.050 0.000 1.740 202 M HN 0.742 nan 8.290 nan 0.000 0.502 203 Q N -2.227 117.552 119.800 -0.034 0.000 2.339 203 Q HA 0.064 4.404 4.340 -0.001 0.000 0.205 203 Q C 1.507 177.494 176.000 -0.021 0.000 0.925 203 Q CA 0.718 56.505 55.803 -0.026 0.000 0.898 203 Q CB -0.197 28.525 28.738 -0.026 0.000 1.013 203 Q HN 0.164 nan 8.270 nan 0.000 0.504 204 S N 0.658 116.345 115.700 -0.021 0.000 2.493 204 S HA -0.002 4.468 4.470 -0.001 0.000 0.243 204 S C 1.373 175.965 174.600 -0.014 0.000 0.991 204 S CA 1.032 59.221 58.200 -0.017 0.000 0.957 204 S CB -0.406 62.784 63.200 -0.017 0.000 0.756 204 S HN 0.817 nan 8.310 nan 0.000 0.521 205 G N 1.781 110.572 108.800 -0.015 0.000 2.159 205 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.256 205 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.256 205 G C -0.103 174.790 174.900 -0.012 0.000 0.977 205 G CA 0.195 45.287 45.100 -0.012 0.000 0.652 205 G HN 0.617 nan 8.290 nan 0.000 0.531 206 K N 0.859 121.250 120.400 -0.014 0.000 2.412 206 K HA 0.446 4.765 4.320 -0.001 0.000 0.281 206 K C -2.294 174.299 176.600 -0.012 0.000 1.027 206 K CA -1.509 54.770 56.287 -0.013 0.000 0.989 206 K CB 0.435 32.926 32.500 -0.015 0.000 0.935 206 K HN 0.051 nan 8.250 nan 0.000 0.475 207 P HA -0.167 nan 4.420 nan 0.000 0.267 207 P C 0.578 177.875 177.300 -0.006 0.000 1.175 207 P CA 0.171 63.268 63.100 -0.005 0.000 0.763 207 P CB 0.530 32.229 31.700 -0.002 0.000 0.795 208 K N 2.294 122.692 120.400 -0.003 0.000 2.001 208 K HA -0.262 4.057 4.320 -0.001 0.000 0.214 208 K C 1.722 178.324 176.600 0.004 0.000 1.050 208 K CA 2.269 58.555 56.287 -0.001 0.000 0.934 208 K CB -0.208 32.295 32.500 0.005 0.000 0.718 208 K HN 0.514 nan 8.250 nan 0.000 0.443 209 E N 0.479 120.685 120.200 0.010 0.000 2.130 209 E HA -0.235 4.114 4.350 -0.001 0.000 0.196 209 E C 2.010 178.618 176.600 0.014 0.000 0.998 209 E CA 1.342 57.752 56.400 0.016 0.000 0.806 209 E CB -0.258 29.451 29.700 0.014 0.000 0.738 209 E HN 0.272 nan 8.360 nan 0.000 0.459 210 I N 1.696 122.269 120.570 0.005 0.000 2.113 210 I HA -0.232 3.937 4.170 -0.001 0.000 0.238 210 I C 2.618 178.733 176.117 -0.004 0.000 1.070 210 I CA 1.475 62.776 61.300 0.002 0.000 1.332 210 I CB -1.651 36.347 38.000 -0.003 0.000 1.044 210 I HN 0.118 nan 8.210 nan 0.000 0.402 211 A N 0.469 123.279 122.820 -0.017 0.000 1.877 211 A HA -0.218 4.102 4.320 -0.001 0.000 0.216 211 A C 2.261 179.818 177.584 -0.046 0.000 1.186 211 A CA 1.717 53.731 52.037 -0.040 0.000 0.620 211 A CB -0.719 18.246 19.000 -0.058 0.000 0.822 211 A HN 0.513 nan 8.150 nan 0.000 0.443 212 E N -0.631 119.556 120.200 -0.021 0.000 2.038 212 E HA -0.252 4.097 4.350 -0.001 0.000 0.195 212 E C 2.142 178.792 176.600 0.084 0.000 1.000 212 E CA 1.524 57.942 56.400 0.030 0.000 0.803 212 E CB -0.152 29.604 29.700 0.094 0.000 0.750 212 E HN 0.456 nan 8.360 nan 0.000 0.448 213 K N 1.060 121.495 120.400 0.058 0.000 2.063 213 K HA -0.123 4.196 4.320 -0.001 0.000 0.208 213 K C 1.936 178.564 176.600 0.048 0.000 1.048 213 K CA 1.517 57.837 56.287 0.056 0.000 0.928 213 K CB -0.171 32.350 32.500 0.036 0.000 0.713 213 K HN 0.088 nan 8.250 nan 0.000 0.442 214 M N -0.670 118.944 119.600 0.024 0.000 2.099 214 M HA -0.142 4.337 4.480 -0.001 0.000 0.262 214 M C 2.062 178.373 176.300 0.018 0.000 1.067 214 M CA 1.295 56.604 55.300 0.015 0.000 1.124 214 M CB -0.215 32.382 32.600 -0.003 0.000 1.353 214 M HN -0.071 nan 8.290 nan 0.000 0.410 215 V N 0.595 120.507 119.914 -0.003 0.000 2.343 215 V HA -0.284 3.835 4.120 -0.001 0.000 0.247 215 V C 2.261 178.419 176.094 0.107 0.000 1.051 215 V CA 2.183 64.472 62.300 -0.018 0.000 1.036 215 V CB -0.769 30.936 31.823 -0.197 0.000 0.654 215 V HN 0.535 nan 8.190 nan 0.000 0.451 216 E N 0.234 120.547 120.200 0.188 0.000 2.038 216 E HA -0.221 4.129 4.350 -0.001 0.000 0.195 216 E C 2.281 178.951 176.600 0.116 0.000 1.000 216 E CA 1.640 58.162 56.400 0.203 0.000 0.803 216 E CB -0.539 29.259 29.700 0.164 0.000 0.750 216 E HN 0.568 nan 8.360 nan 0.000 0.448 217 G N 0.832 109.681 108.800 0.083 0.000 2.440 217 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.218 217 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.218 217 G C 1.685 176.629 174.900 0.073 0.000 1.154 217 G CA 0.986 46.125 45.100 0.065 0.000 0.767 217 G HN 0.207 nan 8.290 nan 0.000 0.552 218 R N -0.090 120.451 120.500 0.067 0.000 2.080 218 R HA -0.032 4.307 4.340 -0.001 0.000 0.236 218 R C 2.583 178.955 176.300 0.120 0.000 1.137 218 R CA 1.665 57.808 56.100 0.071 0.000 0.943 218 R CB -0.462 29.854 30.300 0.028 0.000 0.846 218 R HN 0.238 nan 8.270 nan 0.000 0.431 219 M N 0.766 120.437 119.600 0.119 0.000 2.267 219 M HA -0.162 4.318 4.480 -0.001 0.000 0.263 219 M C 2.107 178.541 176.300 0.222 0.000 1.063 219 M CA 1.677 57.084 55.300 0.178 0.000 1.090 219 M CB -0.808 31.893 32.600 0.169 0.000 1.392 219 M HN 0.257 nan 8.290 nan 0.000 0.422 220 K N 1.147 121.632 120.400 0.143 0.000 2.025 220 K HA -0.152 4.168 4.320 -0.001 0.000 0.207 220 K C 2.063 178.724 176.600 0.101 0.000 1.049 220 K CA 1.253 57.601 56.287 0.102 0.000 0.933 220 K CB 0.029 32.568 32.500 0.066 0.000 0.714 220 K HN 0.319 nan 8.250 nan 0.000 0.438 221 K N 0.061 120.528 120.400 0.112 0.000 2.228 221 K HA -0.137 4.183 4.320 -0.001 0.000 0.202 221 K C 2.055 178.727 176.600 0.120 0.000 1.051 221 K CA 0.990 57.334 56.287 0.094 0.000 0.960 221 K CB -0.486 32.063 32.500 0.082 0.000 0.743 221 K HN 0.207 nan 8.250 nan 0.000 0.458 222 F N 3.311 123.281 119.950 0.034 0.000 2.171 222 F HA -0.127 4.399 4.527 -0.001 0.000 0.300 222 F C 1.908 177.738 175.800 0.050 0.000 1.090 222 F CA 1.670 59.695 58.000 0.042 0.000 1.293 222 F CB -0.391 38.634 39.000 0.042 0.000 1.013 222 F HN -0.073 nan 8.300 nan 0.000 0.486 223 T N 0.040 114.558 114.554 -0.060 0.000 2.985 223 T HA 0.022 4.371 4.350 -0.001 0.000 0.266 223 T C 2.082 176.706 174.700 -0.127 0.000 1.076 223 T CA 1.057 63.049 62.100 -0.181 0.000 1.135 223 T CB -0.790 68.074 68.868 -0.008 0.000 0.890 223 T HN 0.478 nan 8.240 nan 0.000 0.480 224 G N 1.522 110.291 108.800 -0.051 0.000 2.404 224 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.215 224 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.215 224 G C 1.380 176.267 174.900 -0.022 0.000 1.174 224 G CA 0.500 45.588 45.100 -0.019 0.000 0.780 224 G HN 0.514 nan 8.290 nan 0.000 0.537 225 E N -0.155 120.016 120.200 -0.048 0.000 2.274 225 E HA 0.013 4.362 4.350 -0.001 0.000 0.194 225 E C 2.261 178.835 176.600 -0.043 0.000 0.996 225 E CA 0.303 56.685 56.400 -0.029 0.000 0.840 225 E CB 0.162 29.847 29.700 -0.025 0.000 0.772 225 E HN 0.330 nan 8.360 nan 0.000 0.491 226 V N 1.058 120.908 119.914 -0.108 0.000 3.608 226 V HA -0.022 4.097 4.120 -0.001 0.000 0.269 226 V C 0.691 176.863 176.094 0.130 0.000 1.245 226 V CA 0.542 62.820 62.300 -0.036 0.000 1.138 226 V CB 0.076 31.802 31.823 -0.162 0.000 0.841 226 V HN 0.159 nan 8.190 nan 0.000 0.451 227 S N -1.009 114.752 115.700 0.101 0.000 2.509 227 S HA 0.500 4.969 4.470 -0.001 0.000 0.297 227 S C 0.751 175.415 174.600 0.106 0.000 1.118 227 S CA -0.578 57.721 58.200 0.165 0.000 1.074 227 S CB 2.168 65.441 63.200 0.121 0.000 1.038 227 S HN 0.127 nan 8.310 nan 0.000 0.498 228 L N 1.862 123.146 121.223 0.102 0.000 1.965 228 L HA -0.221 4.118 4.340 -0.001 0.000 0.226 228 L C 2.736 179.598 176.870 -0.012 0.000 1.083 228 L CA 2.350 57.196 54.840 0.010 0.000 0.790 228 L CB -1.202 40.828 42.059 -0.049 0.000 0.898 228 L HN 0.919 nan 8.230 nan 0.000 0.439 229 T N -0.746 113.807 114.554 -0.002 0.000 2.684 229 T HA -0.248 4.102 4.350 -0.001 0.000 0.267 229 T C 1.384 176.078 174.700 -0.010 0.000 1.032 229 T CA 1.596 63.685 62.100 -0.019 0.000 1.155 229 T CB -0.634 68.237 68.868 0.005 0.000 0.857 229 T HN 0.657 nan 8.240 nan 0.000 0.457 230 G N 0.452 109.262 108.800 0.015 0.000 2.712 230 G HA2 0.076 4.035 3.960 -0.001 0.000 0.212 230 G HA3 0.076 4.035 3.960 -0.001 0.000 0.212 230 G C 0.451 175.374 174.900 0.040 0.000 1.142 230 G CA -0.194 44.919 45.100 0.021 0.000 0.789 230 G HN 0.456 nan 8.290 nan 0.000 0.535 231 Q N 0.763 120.600 119.800 0.062 0.000 2.259 231 Q HA 0.244 4.584 4.340 -0.001 0.000 0.249 231 Q C -2.541 173.540 176.000 0.135 0.000 0.914 231 Q CA -2.100 53.778 55.803 0.126 0.000 0.904 231 Q CB 1.283 30.174 28.738 0.254 0.000 1.213 231 Q HN 0.002 nan 8.270 nan 0.000 0.428 232 P HA -0.104 nan 4.420 nan 0.000 0.263 232 P C -0.825 176.645 177.300 0.283 0.000 1.195 232 P CA 0.056 63.259 63.100 0.172 0.000 0.762 232 P CB 0.142 31.928 31.700 0.143 0.000 0.799 233 F N 5.406 125.366 119.950 0.018 0.000 2.578 233 F HA -0.037 4.489 4.527 -0.001 0.000 0.381 233 F C 1.433 177.306 175.800 0.121 0.000 1.069 233 F CA -0.551 57.437 58.000 -0.020 0.000 1.231 233 F CB 0.266 39.208 39.000 -0.096 0.000 1.086 233 F HN 0.180 nan 8.300 nan 0.000 0.564 234 V N 4.496 124.427 119.914 0.029 0.000 2.594 234 V HA -0.254 3.866 4.120 -0.001 0.000 0.253 234 V C 1.656 177.538 176.094 -0.354 0.000 1.069 234 V CA 2.064 64.305 62.300 -0.099 0.000 1.082 234 V CB -0.985 30.855 31.823 0.028 0.000 0.680 234 V HN 0.842 nan 8.190 nan 0.000 0.469 235 M N 0.234 119.149 119.600 -1.140 0.000 2.495 235 M HA 0.323 4.802 4.480 -0.001 0.000 0.237 235 M C 0.747 176.715 176.300 -0.553 0.000 1.131 235 M CA 0.714 55.389 55.300 -1.042 0.000 1.032 235 M CB 0.162 31.930 32.600 -1.388 0.000 1.513 235 M HN 0.566 nan 8.290 nan 0.000 0.488 236 E N 0.323 120.305 120.200 -0.364 0.000 2.829 236 E HA 0.141 4.491 4.350 -0.001 0.000 0.369 236 E C -2.369 174.266 176.600 0.058 0.000 1.097 236 E CA -0.871 55.504 56.400 -0.041 0.000 0.822 236 E CB 0.871 30.628 29.700 0.095 0.000 1.502 236 E HN -0.082 nan 8.360 nan 0.000 0.387 237 P HA -0.162 nan 4.420 nan 0.000 0.223 237 P C 1.197 178.545 177.300 0.081 0.000 1.144 237 P CA 1.233 64.377 63.100 0.073 0.000 0.783 237 P CB 0.141 31.874 31.700 0.055 0.000 0.771 238 S N -1.328 114.412 115.700 0.067 0.000 2.555 238 S HA -0.086 4.383 4.470 -0.001 0.000 0.230 238 S C 0.792 175.430 174.600 0.065 0.000 0.978 238 S CA 0.226 58.462 58.200 0.059 0.000 0.934 238 S CB -0.823 62.405 63.200 0.047 0.000 0.766 238 S HN 0.275 nan 8.310 nan 0.000 0.533 239 K N 1.315 121.768 120.400 0.088 0.000 2.422 239 K HA 0.433 4.752 4.320 -0.001 0.000 0.251 239 K C -0.425 176.230 176.600 0.091 0.000 0.933 239 K CA -0.609 55.725 56.287 0.078 0.000 0.798 239 K CB 1.841 34.385 32.500 0.073 0.000 1.238 239 K HN 0.080 nan 8.250 nan 0.000 0.428 240 T N -0.659 113.921 114.554 0.044 0.000 2.849 240 T HA 0.105 4.454 4.350 -0.001 0.000 0.284 240 T C 1.399 176.064 174.700 -0.058 0.000 1.004 240 T CA -0.730 61.383 62.100 0.021 0.000 1.021 240 T CB 1.171 70.043 68.868 0.007 0.000 1.013 240 T HN 0.344 nan 8.240 nan 0.000 0.527 241 V N 2.493 122.327 119.914 -0.134 0.000 2.469 241 V HA -0.042 4.078 4.120 -0.001 0.000 0.251 241 V C 2.860 178.825 176.094 -0.216 0.000 1.064 241 V CA 2.239 64.358 62.300 -0.301 0.000 1.066 241 V CB -1.621 29.966 31.823 -0.394 0.000 0.667 241 V HN 1.114 nan 8.190 nan 0.000 0.461 242 G N -0.698 108.031 108.800 -0.119 0.000 2.421 242 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.216 242 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.216 242 G C 1.489 176.347 174.900 -0.070 0.000 1.171 242 G CA 0.862 45.915 45.100 -0.078 0.000 0.775 242 G HN 0.547 nan 8.290 nan 0.000 0.543 243 Q N -0.525 119.241 119.800 -0.058 0.000 2.084 243 Q HA -0.040 4.300 4.340 -0.001 0.000 0.202 243 Q C 2.482 178.453 176.000 -0.048 0.000 0.978 243 Q CA 1.090 56.870 55.803 -0.038 0.000 0.844 243 Q CB -0.315 28.413 28.738 -0.017 0.000 0.898 243 Q HN 0.408 nan 8.270 nan 0.000 0.426 244 L N 0.790 121.947 121.223 -0.109 0.000 2.013 244 L HA -0.222 4.118 4.340 -0.001 0.000 0.212 244 L C 1.953 178.785 176.870 -0.063 0.000 1.073 244 L CA 1.735 56.486 54.840 -0.148 0.000 0.753 244 L CB -0.470 41.304 42.059 -0.476 0.000 0.890 244 L HN 0.209 nan 8.230 nan 0.000 0.432 245 L N -0.813 120.333 121.223 -0.129 0.000 2.017 245 L HA -0.251 4.088 4.340 -0.001 0.000 0.208 245 L C 2.652 179.522 176.870 -0.001 0.000 1.073 245 L CA 1.623 56.412 54.840 -0.085 0.000 0.745 245 L CB -0.596 41.401 42.059 -0.103 0.000 0.894 245 L HN 0.254 nan 8.230 nan 0.000 0.432 246 K N 0.080 120.474 120.400 -0.010 0.000 2.032 246 K HA -0.227 4.092 4.320 -0.001 0.000 0.209 246 K C 1.980 178.583 176.600 0.005 0.000 1.048 246 K CA 1.693 57.978 56.287 -0.003 0.000 0.927 246 K CB -0.166 32.326 32.500 -0.013 0.000 0.712 246 K HN 0.337 nan 8.250 nan 0.000 0.441 247 E N -0.293 119.915 120.200 0.014 0.000 2.171 247 E HA -0.206 4.143 4.350 -0.001 0.000 0.197 247 E C 1.182 177.697 176.600 -0.141 0.000 0.997 247 E CA 1.352 57.722 56.400 -0.050 0.000 0.810 247 E CB -0.080 29.591 29.700 -0.048 0.000 0.738 247 E HN 0.444 nan 8.360 nan 0.000 0.467 248 H N -0.696 118.335 119.070 -0.064 0.000 2.549 248 H HA 0.228 4.783 4.556 -0.001 0.000 0.279 248 H C -0.420 174.878 175.328 -0.050 0.000 1.018 248 H CA -0.096 55.916 56.048 -0.059 0.000 1.175 248 H CB 0.039 29.755 29.762 -0.077 0.000 1.485 248 H HN 0.121 nan 8.280 nan 0.000 0.543 249 N N 0.114 118.839 118.700 0.042 0.000 2.708 249 N HA -0.211 4.528 4.740 -0.001 0.000 0.251 249 N C -0.594 174.928 175.510 0.019 0.000 1.017 249 N CA 0.184 53.244 53.050 0.016 0.000 0.742 249 N CB -0.475 38.012 38.487 -0.000 0.000 0.943 249 N HN 0.472 nan 8.380 nan 0.000 0.539 250 A N 0.290 123.122 122.820 0.021 0.000 2.346 250 A HA 0.766 5.085 4.320 -0.001 0.000 0.313 250 A C -0.346 177.226 177.584 -0.019 0.000 1.140 250 A CA -0.482 51.553 52.037 -0.003 0.000 0.826 250 A CB 1.805 20.793 19.000 -0.020 0.000 1.332 250 A HN 0.267 nan 8.150 nan 0.000 0.457 251 E N 0.179 120.366 120.200 -0.021 0.000 2.308 251 E HA 0.503 4.852 4.350 -0.001 0.000 0.275 251 E C -1.894 174.700 176.600 -0.010 0.000 0.890 251 E CA -0.552 55.839 56.400 -0.015 0.000 0.754 251 E CB 2.148 31.846 29.700 -0.003 0.000 1.207 251 E HN 0.395 nan 8.360 nan 0.000 0.426 252 V N 4.125 124.039 119.914 0.001 0.000 2.408 252 V HA 0.079 4.199 4.120 -0.001 0.000 0.267 252 V C 0.966 177.094 176.094 0.056 0.000 1.047 252 V CA 0.212 62.530 62.300 0.031 0.000 0.937 252 V CB 1.263 33.117 31.823 0.050 0.000 0.999 252 V HN 0.894 nan 8.190 nan 0.000 0.472 253 T N 3.733 118.316 114.554 0.047 0.000 2.851 253 T HA 0.256 4.606 4.350 -0.001 0.000 0.262 253 T C 0.685 175.407 174.700 0.036 0.000 1.043 253 T CA 1.228 63.349 62.100 0.034 0.000 1.140 253 T CB 0.163 69.041 68.868 0.017 0.000 0.872 253 T HN 0.915 nan 8.240 nan 0.000 0.446 254 G N 0.369 109.206 108.800 0.062 0.000 2.466 254 G HA2 0.512 4.471 3.960 -0.001 0.000 0.291 254 G HA3 0.512 4.471 3.960 -0.001 0.000 0.291 254 G C -2.098 172.878 174.900 0.126 0.000 1.460 254 G CA -0.897 44.212 45.100 0.015 0.000 0.791 254 G HN 0.283 nan 8.290 nan 0.000 0.505 255 F N -1.300 118.639 119.950 -0.019 0.000 2.678 255 F HA 0.838 5.364 4.527 -0.001 0.000 0.308 255 F C -1.473 174.308 175.800 -0.031 0.000 1.118 255 F CA -1.629 56.357 58.000 -0.023 0.000 0.959 255 F CB 1.363 40.363 39.000 0.000 0.000 1.305 255 F HN 0.483 nan 8.300 nan 0.000 0.443 256 I N 2.800 123.454 120.570 0.140 0.000 2.499 256 I HA 0.497 4.666 4.170 -0.001 0.000 0.288 256 I C -0.915 175.283 176.117 0.135 0.000 1.048 256 I CA -0.742 60.583 61.300 0.041 0.000 1.062 256 I CB 2.243 40.148 38.000 -0.158 0.000 1.238 256 I HN 0.784 nan 8.210 nan 0.000 0.426 257 R N 5.917 126.566 120.500 0.249 0.000 2.360 257 R HA 0.544 4.884 4.340 -0.001 0.000 0.318 257 R C -1.808 174.755 176.300 0.438 0.000 0.950 257 R CA -0.460 55.793 56.100 0.256 0.000 0.837 257 R CB 1.079 31.520 30.300 0.235 0.000 1.165 257 R HN 0.306 nan 8.270 nan 0.000 0.458 258 F N 2.167 122.142 119.950 0.042 0.000 2.443 258 F HA 0.395 4.922 4.527 -0.001 0.000 0.335 258 F C 0.244 176.059 175.800 0.025 0.000 1.104 258 F CA -1.093 56.921 58.000 0.024 0.000 1.013 258 F CB 1.818 40.827 39.000 0.015 0.000 1.136 258 F HN 0.507 nan 8.300 nan 0.000 0.470 259 E N 2.092 122.379 120.200 0.145 0.000 2.234 259 E HA 0.453 4.802 4.350 -0.001 0.000 0.266 259 E C -1.308 175.313 176.600 0.036 0.000 0.877 259 E CA -0.730 55.720 56.400 0.083 0.000 0.758 259 E CB 2.077 31.808 29.700 0.052 0.000 1.170 259 E HN 0.346 nan 8.360 nan 0.000 0.415 260 V N 4.300 124.242 119.914 0.048 0.000 2.539 260 V HA 0.095 4.214 4.120 -0.001 0.000 0.300 260 V C 1.462 177.558 176.094 0.004 0.000 1.019 260 V CA 1.988 64.306 62.300 0.029 0.000 1.160 260 V CB 0.365 32.210 31.823 0.038 0.000 0.901 260 V HN 1.104 nan 8.190 nan 0.000 0.481 261 G N 3.434 112.226 108.800 -0.013 0.000 2.199 261 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.254 261 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.254 261 G C 0.146 175.029 174.900 -0.028 0.000 0.982 261 G CA 0.223 45.312 45.100 -0.017 0.000 0.632 261 G HN 0.731 nan 8.290 nan 0.000 0.529 262 E N 0.415 120.593 120.200 -0.038 0.000 2.966 262 E HA 0.262 4.611 4.350 -0.001 0.000 0.254 262 E C 1.504 178.073 176.600 -0.051 0.000 0.923 262 E CA 1.261 57.634 56.400 -0.044 0.000 0.960 262 E CB -0.322 29.337 29.700 -0.068 0.000 0.901 262 E HN 1.593 nan 8.360 nan 0.000 0.525 263 G N 3.753 112.533 108.800 -0.032 0.000 2.168 263 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.263 263 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.263 263 G C 0.252 175.137 174.900 -0.025 0.000 0.977 263 G CA 0.065 45.148 45.100 -0.029 0.000 0.659 263 G HN 0.553 nan 8.290 nan 0.000 0.533 264 I N 1.759 122.317 120.570 -0.022 0.000 2.307 264 I HA 0.226 4.396 4.170 -0.001 0.000 0.287 264 I C 1.624 177.737 176.117 -0.007 0.000 1.054 264 I CA -0.066 61.226 61.300 -0.014 0.000 1.218 264 I CB 0.501 38.493 38.000 -0.014 0.000 1.398 264 I HN 0.616 nan 8.210 nan 0.000 0.475 265 E N 6.419 126.616 120.200 -0.004 0.000 3.805 265 E HA -0.400 3.949 4.350 -0.001 0.000 0.265 265 E C -0.239 176.362 176.600 0.001 0.000 1.259 265 E CA 1.880 58.279 56.400 -0.000 0.000 1.978 265 E CB -0.569 29.131 29.700 0.001 0.000 1.780 265 E HN 0.541 nan 8.360 nan 0.000 0.278 266 K N -0.686 119.715 120.400 0.002 0.000 3.228 266 K HA -0.073 4.246 4.320 -0.001 0.000 0.264 266 K C -0.632 175.973 176.600 0.007 0.000 1.204 266 K CA 0.821 57.110 56.287 0.004 0.000 0.797 266 K CB -2.360 30.143 32.500 0.005 0.000 1.344 266 K HN 0.445 nan 8.250 nan 0.000 0.505 267 V N 1.507 121.425 119.914 0.007 0.000 2.341 267 V HA 0.065 4.184 4.120 -0.001 0.000 0.248 267 V C 0.941 177.043 176.094 0.014 0.000 1.107 267 V CA 0.001 62.307 62.300 0.010 0.000 1.069 267 V CB 0.239 32.067 31.823 0.008 0.000 1.177 267 V HN 0.379 nan 8.190 nan 0.000 0.492 268 E N 4.451 124.661 120.200 0.016 0.000 2.422 268 E HA 0.188 4.537 4.350 -0.001 0.000 0.260 268 E C 0.041 176.659 176.600 0.030 0.000 1.108 268 E CA 0.131 56.544 56.400 0.023 0.000 0.943 268 E CB 0.753 30.467 29.700 0.023 0.000 0.961 268 E HN 0.838 nan 8.360 nan 0.000 0.443 269 T N 0.489 115.068 114.554 0.043 0.000 2.856 269 T HA 0.228 4.577 4.350 -0.001 0.000 0.283 269 T C -0.576 174.173 174.700 0.081 0.000 1.008 269 T CA -1.082 61.054 62.100 0.060 0.000 0.997 269 T CB 1.524 70.437 68.868 0.076 0.000 0.992 269 T HN 0.303 nan 8.240 nan 0.000 0.454 270 D N 2.281 122.727 120.400 0.076 0.000 2.499 270 D HA 0.216 4.856 4.640 -0.001 0.000 0.225 270 D C 0.579 176.945 176.300 0.110 0.000 1.124 270 D CA -1.289 52.761 54.000 0.083 0.000 0.938 270 D CB 0.045 40.868 40.800 0.039 0.000 1.014 270 D HN 0.460 nan 8.370 nan 0.000 0.517 271 F N 3.833 123.792 119.950 0.015 0.000 2.065 271 F HA -0.228 4.298 4.527 -0.001 0.000 0.298 271 F C 2.014 177.811 175.800 -0.005 0.000 1.112 271 F CA 2.104 60.112 58.000 0.013 0.000 1.212 271 F CB -0.345 38.679 39.000 0.040 0.000 0.975 271 F HN 0.396 nan 8.300 nan 0.000 0.476 272 A N 0.244 123.024 122.820 -0.067 0.000 1.908 272 A HA -0.106 4.213 4.320 -0.001 0.000 0.218 272 A C 2.424 179.885 177.584 -0.206 0.000 1.181 272 A CA 2.217 54.135 52.037 -0.198 0.000 0.627 272 A CB -1.629 17.329 19.000 -0.070 0.000 0.818 272 A HN 0.561 nan 8.150 nan 0.000 0.445 273 A N -0.384 122.367 122.820 -0.117 0.000 1.898 273 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 273 A C 1.898 179.409 177.584 -0.121 0.000 1.181 273 A CA 1.518 53.497 52.037 -0.096 0.000 0.620 273 A CB -0.502 18.469 19.000 -0.048 0.000 0.819 273 A HN 0.636 nan 8.150 nan 0.000 0.442 274 E N -0.266 119.853 120.200 -0.135 0.000 2.110 274 E HA -0.127 4.222 4.350 -0.001 0.000 0.193 274 E C 1.961 178.442 176.600 -0.198 0.000 0.988 274 E CA 1.261 57.582 56.400 -0.132 0.000 0.804 274 E CB -0.277 29.369 29.700 -0.090 0.000 0.745 274 E HN 0.411 nan 8.360 nan 0.000 0.458 275 V N 1.426 121.140 119.914 -0.334 0.000 2.261 275 V HA -0.283 3.836 4.120 -0.001 0.000 0.246 275 V C 2.359 178.320 176.094 -0.221 0.000 1.047 275 V CA 1.933 64.021 62.300 -0.353 0.000 1.015 275 V CB -0.746 30.756 31.823 -0.536 0.000 0.642 275 V HN 0.329 nan 8.190 nan 0.000 0.446 276 A N -0.132 122.575 122.820 -0.187 0.000 1.933 276 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 276 A C 2.417 179.942 177.584 -0.098 0.000 1.175 276 A CA 2.136 54.098 52.037 -0.125 0.000 0.628 276 A CB -0.787 18.151 19.000 -0.103 0.000 0.814 276 A HN 0.573 nan 8.150 nan 0.000 0.444 277 A N -0.638 122.124 122.820 -0.096 0.000 1.851 277 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 277 A C 2.297 179.837 177.584 -0.074 0.000 1.195 277 A CA 2.054 54.048 52.037 -0.073 0.000 0.622 277 A CB -0.617 18.344 19.000 -0.065 0.000 0.831 277 A HN 0.559 nan 8.150 nan 0.000 0.444 278 M N -0.678 118.869 119.600 -0.089 0.000 2.202 278 M HA -0.150 4.329 4.480 -0.001 0.000 0.262 278 M C 2.325 178.576 176.300 -0.083 0.000 1.063 278 M CA 1.854 57.104 55.300 -0.084 0.000 1.097 278 M CB -0.092 32.448 32.600 -0.100 0.000 1.382 278 M HN 0.451 nan 8.290 nan 0.000 0.413 279 S N -0.103 115.541 115.700 -0.094 0.000 2.383 279 S HA -0.114 4.355 4.470 -0.001 0.000 0.227 279 S C 1.786 176.347 174.600 -0.064 0.000 1.026 279 S CA 1.123 59.271 58.200 -0.086 0.000 0.981 279 S CB -0.036 63.106 63.200 -0.096 0.000 0.818 279 S HN 0.462 nan 8.310 nan 0.000 0.472 280 K N 0.904 121.269 120.400 -0.058 0.000 1.973 280 K HA -0.138 4.182 4.320 -0.001 0.000 0.210 280 K C 2.479 179.055 176.600 -0.039 0.000 1.045 280 K CA 1.608 57.868 56.287 -0.045 0.000 0.937 280 K CB -0.446 32.029 32.500 -0.041 0.000 0.721 280 K HN 0.629 nan 8.250 nan 0.000 0.438 281 Q N 0.705 120.481 119.800 -0.040 0.000 2.217 281 Q HA -0.111 4.229 4.340 -0.001 0.000 0.209 281 Q C 0.551 176.531 176.000 -0.033 0.000 0.988 281 Q CA 1.135 56.918 55.803 -0.034 0.000 0.878 281 Q CB -0.297 28.421 28.738 -0.034 0.000 0.909 281 Q HN 0.012 nan 8.270 nan 0.000 0.424 1010 P HA 0.056 nan 4.420 nan 0.000 0.268 1010 P C -1.266 176.020 177.300 -0.023 0.000 1.205 1010 P CA -0.100 62.989 63.100 -0.019 0.000 0.771 1010 P CB 0.333 31.997 31.700 -0.059 0.000 0.858 1011 H N 2.410 121.438 119.070 -0.069 0.000 2.541 1011 H HA 0.393 4.948 4.556 -0.001 0.000 0.316 1011 H C -1.310 173.942 175.328 -0.127 0.000 1.043 1011 H CA -0.482 55.528 56.048 -0.063 0.000 1.232 1011 H CB 0.817 30.596 29.762 0.029 0.000 1.406 1011 H HN 0.041 nan 8.280 nan 0.000 0.469 1012 V N 5.657 125.291 119.914 -0.467 0.000 2.495 1012 V HA 0.210 4.329 4.120 -0.001 0.000 0.298 1012 V C -0.145 175.839 176.094 -0.184 0.000 1.031 1012 V CA -0.951 61.192 62.300 -0.261 0.000 0.871 1012 V CB 1.693 33.311 31.823 -0.342 0.000 0.988 1012 V HN 0.767 nan 8.190 nan 0.000 0.432 1013 N N 2.420 121.131 118.700 0.018 0.000 2.426 1013 N HA 0.667 5.406 4.740 -0.001 0.000 0.275 1013 N C -0.572 174.977 175.510 0.065 0.000 1.019 1013 N CA -0.409 52.675 53.050 0.055 0.000 0.941 1013 N CB 2.009 40.557 38.487 0.102 0.000 1.123 1013 N HN 0.675 nan 8.380 nan 0.000 0.486 1014 V N -1.032 118.896 119.914 0.023 0.000 3.141 1014 V HA 1.025 5.144 4.120 -0.001 0.000 0.312 1014 V C 0.097 176.069 176.094 -0.203 0.000 1.157 1014 V CA -0.852 61.415 62.300 -0.056 0.000 1.041 1014 V CB 1.661 33.449 31.823 -0.059 0.000 1.071 1014 V HN 0.605 nan 8.190 nan 0.000 0.441 1015 G N 0.194 108.823 108.800 -0.285 0.000 2.718 1015 G HA2 0.683 4.642 3.960 -0.001 0.000 0.295 1015 G HA3 0.683 4.642 3.960 -0.001 0.000 0.295 1015 G C -0.702 173.991 174.900 -0.345 0.000 1.421 1015 G CA -0.059 44.829 45.100 -0.354 0.000 0.902 1015 G HN 1.289 nan 8.290 nan 0.000 0.501 1016 T N -0.910 113.487 114.554 -0.263 0.000 2.867 1016 T HA 0.749 5.098 4.350 -0.001 0.000 0.282 1016 T C -0.194 174.377 174.700 -0.215 0.000 1.000 1016 T CA -0.631 61.383 62.100 -0.143 0.000 1.042 1016 T CB 1.904 70.809 68.868 0.061 0.000 0.973 1016 T HN 0.637 nan 8.240 nan 0.000 0.465 1017 I N 0.758 121.178 120.570 -0.250 0.000 2.802 1017 I HA 0.697 4.866 4.170 -0.001 0.000 0.298 1017 I C -0.149 175.675 176.117 -0.488 0.000 1.176 1017 I CA -0.126 60.938 61.300 -0.393 0.000 1.025 1017 I CB 1.733 39.488 38.000 -0.408 0.000 1.243 1017 I HN 1.135 nan 8.210 nan 0.000 0.424 1018 G N 4.295 112.583 108.800 -0.853 0.000 2.359 1018 G HA2 0.057 4.016 3.960 -0.001 0.000 0.293 1018 G HA3 0.057 4.016 3.960 -0.001 0.000 0.293 1018 G C -1.594 172.927 174.900 -0.632 0.000 1.300 1018 G CA -0.851 43.748 45.100 -0.835 0.000 0.888 1018 G HN 0.860 nan 8.290 nan 0.000 0.541 1019 H N 0.213 119.045 119.070 -0.396 0.000 2.897 1019 H HA 0.185 4.741 4.556 -0.001 0.000 0.347 1019 H C 2.202 177.405 175.328 -0.208 0.000 1.068 1019 H CA 0.680 56.547 56.048 -0.303 0.000 1.426 1019 H CB 1.436 30.784 29.762 -0.689 0.000 1.410 1019 H HN 0.772 nan 8.280 nan 0.000 0.597 1020 V N 1.569 121.128 119.914 -0.592 0.000 2.453 1020 V HA -0.227 3.892 4.120 -0.001 0.000 0.252 1020 V C 0.900 176.800 176.094 -0.323 0.000 1.068 1020 V CA 2.088 64.147 62.300 -0.401 0.000 1.070 1020 V CB -0.166 31.457 31.823 -0.333 0.000 0.664 1020 V HN 0.693 nan 8.190 nan 0.000 0.461 1021 D N -1.262 118.869 120.400 -0.449 0.000 2.349 1021 D HA 0.111 4.751 4.640 -0.001 0.000 0.214 1021 D C 1.566 177.985 176.300 0.199 0.000 1.063 1021 D CA 0.422 54.386 54.000 -0.060 0.000 0.847 1021 D CB -0.260 40.564 40.800 0.041 0.000 0.933 1021 D HN 0.683 nan 8.370 nan 0.000 0.513 1022 H N -0.214 118.861 119.070 0.009 0.000 2.539 1022 H HA 0.246 4.802 4.556 -0.001 0.000 0.269 1022 H C 0.872 176.217 175.328 0.029 0.000 0.980 1022 H CA 0.063 56.142 56.048 0.052 0.000 1.152 1022 H CB 0.774 30.588 29.762 0.086 0.000 1.407 1022 H HN 0.133 nan 8.280 nan 0.000 0.564 1023 G N 1.798 110.668 108.800 0.116 0.000 2.203 1023 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.231 1023 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.231 1023 G C 0.854 175.784 174.900 0.051 0.000 1.058 1023 G CA 0.151 45.288 45.100 0.061 0.000 0.781 1023 G HN 0.346 nan 8.290 nan 0.000 0.496 1024 K N -0.698 119.737 120.400 0.058 0.000 2.057 1024 K HA -0.064 4.256 4.320 -0.001 0.000 0.207 1024 K C 2.592 179.256 176.600 0.107 0.000 1.049 1024 K CA 1.835 58.165 56.287 0.071 0.000 0.931 1024 K CB -0.199 32.334 32.500 0.055 0.000 0.714 1024 K HN 0.369 nan 8.250 nan 0.000 0.440 1025 T N 0.756 115.381 114.554 0.118 0.000 2.777 1025 T HA -0.098 4.251 4.350 -0.001 0.000 0.266 1025 T C 1.930 176.601 174.700 -0.048 0.000 1.040 1025 T CA 1.684 63.830 62.100 0.078 0.000 1.141 1025 T CB -0.326 68.579 68.868 0.061 0.000 0.868 1025 T HN 0.268 nan 8.240 nan 0.000 0.444 1026 T N 2.597 117.127 114.554 -0.039 0.000 2.746 1026 T HA -0.044 4.305 4.350 -0.001 0.000 0.267 1026 T C 1.894 176.528 174.700 -0.110 0.000 1.039 1026 T CA 0.849 62.907 62.100 -0.070 0.000 1.142 1026 T CB -0.458 68.383 68.868 -0.046 0.000 0.866 1026 T HN 0.140 nan 8.240 nan 0.000 0.444 1027 L N 1.308 122.462 121.223 -0.114 0.000 2.046 1027 L HA -0.058 4.281 4.340 -0.001 0.000 0.208 1027 L C 2.406 179.123 176.870 -0.254 0.000 1.077 1027 L CA 1.852 56.553 54.840 -0.232 0.000 0.747 1027 L CB -1.276 40.613 42.059 -0.284 0.000 0.896 1027 L HN 0.161 nan 8.230 nan 0.000 0.432 1028 T N -0.022 114.418 114.554 -0.189 0.000 2.746 1028 T HA -0.118 4.231 4.350 -0.001 0.000 0.267 1028 T C 1.933 176.456 174.700 -0.296 0.000 1.039 1028 T CA 1.305 63.235 62.100 -0.283 0.000 1.142 1028 T CB -0.593 68.103 68.868 -0.286 0.000 0.866 1028 T HN 0.521 nan 8.240 nan 0.000 0.444 1029 A N 1.545 124.222 122.820 -0.238 0.000 1.902 1029 A HA 0.155 4.474 4.320 -0.001 0.000 0.217 1029 A C 2.659 180.133 177.584 -0.184 0.000 1.181 1029 A CA 1.803 53.719 52.037 -0.202 0.000 0.623 1029 A CB -1.113 17.788 19.000 -0.166 0.000 0.818 1029 A HN 0.508 nan 8.150 nan 0.000 0.443 1030 A N -0.093 122.617 122.820 -0.184 0.000 1.933 1030 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 1030 A C 2.117 179.573 177.584 -0.213 0.000 1.175 1030 A CA 1.516 53.453 52.037 -0.167 0.000 0.628 1030 A CB -0.583 18.326 19.000 -0.152 0.000 0.814 1030 A HN 0.513 nan 8.150 nan 0.000 0.444 1031 I N 0.214 120.598 120.570 -0.311 0.000 2.142 1031 I HA -0.254 3.916 4.170 -0.001 0.000 0.240 1031 I C 2.945 178.815 176.117 -0.411 0.000 1.078 1031 I CA 1.912 62.952 61.300 -0.433 0.000 1.343 1031 I CB -0.779 36.812 38.000 -0.681 0.000 1.046 1031 I HN 0.545 nan 8.210 nan 0.000 0.405 1032 T N -2.114 112.228 114.554 -0.353 0.000 2.720 1032 T HA -0.196 4.154 4.350 -0.001 0.000 0.268 1032 T C 1.833 176.470 174.700 -0.104 0.000 1.037 1032 T CA 2.068 64.066 62.100 -0.170 0.000 1.144 1032 T CB -0.997 67.814 68.868 -0.095 0.000 0.864 1032 T HN 0.241 nan 8.240 nan 0.000 0.444 1033 T N 1.768 116.250 114.554 -0.120 0.000 2.643 1033 T HA -0.042 4.308 4.350 -0.001 0.000 0.264 1033 T C 2.189 176.841 174.700 -0.080 0.000 1.045 1033 T CA 1.473 63.522 62.100 -0.085 0.000 1.155 1033 T CB -0.670 68.148 68.868 -0.084 0.000 0.863 1033 T HN 0.262 nan 8.240 nan 0.000 0.420 1034 V N 1.763 121.618 119.914 -0.098 0.000 2.343 1034 V HA -0.108 4.011 4.120 -0.001 0.000 0.247 1034 V C 2.535 178.566 176.094 -0.106 0.000 1.051 1034 V CA 1.437 63.679 62.300 -0.096 0.000 1.036 1034 V CB -0.733 31.039 31.823 -0.086 0.000 0.654 1034 V HN 0.436 nan 8.190 nan 0.000 0.451 1035 L N -0.079 121.103 121.223 -0.067 0.000 2.093 1035 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 1035 L C 2.762 179.666 176.870 0.057 0.000 1.085 1035 L CA 1.537 56.407 54.840 0.049 0.000 0.755 1035 L CB -0.934 41.217 42.059 0.153 0.000 0.904 1035 L HN 0.386 nan 8.230 nan 0.000 0.435 1036 A N 0.466 123.303 122.820 0.030 0.000 1.877 1036 A HA -0.257 4.063 4.320 -0.001 0.000 0.216 1036 A C 2.400 179.976 177.584 -0.012 0.000 1.186 1036 A CA 1.915 53.974 52.037 0.037 0.000 0.620 1036 A CB -0.481 18.533 19.000 0.022 0.000 0.822 1036 A HN 0.308 nan 8.150 nan 0.000 0.443 1037 K N -1.135 119.233 120.400 -0.054 0.000 2.211 1037 K HA -0.142 4.177 4.320 -0.001 0.000 0.204 1037 K C 1.525 178.047 176.600 -0.130 0.000 1.047 1037 K CA 1.877 58.117 56.287 -0.077 0.000 0.935 1037 K CB -0.120 32.332 32.500 -0.080 0.000 0.728 1037 K HN 0.500 nan 8.250 nan 0.000 0.452 1038 T N -1.183 113.230 114.554 -0.234 0.000 3.042 1038 T HA 0.051 4.401 4.350 -0.001 0.000 0.245 1038 T C 0.443 174.856 174.700 -0.477 0.000 1.029 1038 T CA 0.467 62.286 62.100 -0.469 0.000 1.120 1038 T CB 0.068 68.439 68.868 -0.829 0.000 0.917 1038 T HN 0.185 nan 8.240 nan 0.000 0.467 1039 Y N 0.688 121.004 120.300 0.027 0.000 2.527 1039 Y HA 0.508 5.057 4.550 -0.001 0.000 0.247 1039 Y C 1.225 177.152 175.900 0.045 0.000 1.138 1039 Y CA -1.098 57.026 58.100 0.040 0.000 1.228 1039 Y CB 0.182 38.677 38.460 0.060 0.000 1.252 1039 Y HN 0.211 nan 8.280 nan 0.000 0.531 1040 G N 1.212 110.093 108.800 0.135 0.000 2.920 1040 G HA2 0.273 4.232 3.960 -0.001 0.000 0.210 1040 G HA3 0.273 4.232 3.960 -0.001 0.000 0.210 1040 G C 0.535 175.512 174.900 0.128 0.000 0.806 1040 G CA 0.348 45.509 45.100 0.101 0.000 0.853 1040 G HN 1.121 nan 8.290 nan 0.000 0.333 1065 S N 4.073 119.893 115.700 0.201 0.000 2.423 1065 S HA 0.325 4.794 4.470 -0.001 0.000 0.302 1065 S C 0.200 175.023 174.600 0.370 0.000 1.143 1065 S CA -0.342 58.004 58.200 0.243 0.000 1.080 1065 S CB -0.247 63.078 63.200 0.209 0.000 1.081 1065 S HN 0.689 nan 8.310 nan 0.000 0.522 1066 H N 1.832 121.022 119.070 0.200 0.000 2.907 1066 H HA 0.751 5.307 4.556 -0.001 0.000 0.361 1066 H C -1.419 174.016 175.328 0.178 0.000 1.194 1066 H CA -1.021 55.176 56.048 0.248 0.000 1.152 1066 H CB 0.860 30.735 29.762 0.188 0.000 1.867 1066 H HN 0.313 nan 8.280 nan 0.000 0.561 1067 V N 0.687 120.673 119.914 0.119 0.000 2.864 1067 V HA 0.343 4.463 4.120 -0.001 0.000 0.314 1067 V C -0.331 175.795 176.094 0.054 0.000 1.073 1067 V CA -0.711 61.579 62.300 -0.015 0.000 0.956 1067 V CB 2.054 33.876 31.823 -0.001 0.000 1.023 1067 V HN 0.824 nan 8.190 nan 0.000 0.435 1068 E N 2.008 122.221 120.200 0.022 0.000 2.317 1068 E HA 0.708 5.057 4.350 -0.001 0.000 0.270 1068 E C -2.014 174.640 176.600 0.089 0.000 0.885 1068 E CA -0.573 55.814 56.400 -0.022 0.000 0.760 1068 E CB 2.739 32.505 29.700 0.110 0.000 1.227 1068 E HN 0.684 nan 8.360 nan 0.000 0.434 1069 Y N -1.303 119.025 120.300 0.046 0.000 2.624 1069 Y HA 0.587 5.136 4.550 -0.001 0.000 0.334 1069 Y C -1.548 174.448 175.900 0.160 0.000 1.155 1069 Y CA -1.311 56.846 58.100 0.094 0.000 1.046 1069 Y CB 1.242 39.736 38.460 0.056 0.000 1.316 1069 Y HN 0.231 nan 8.280 nan 0.000 0.457 1070 D N 0.855 121.485 120.400 0.382 0.000 2.481 1070 D HA 0.589 5.228 4.640 -0.001 0.000 0.244 1070 D C -0.517 175.947 176.300 0.272 0.000 1.057 1070 D CA -0.448 53.737 54.000 0.309 0.000 0.848 1070 D CB 2.207 43.149 40.800 0.237 0.000 1.388 1070 D HN 0.808 nan 8.370 nan 0.000 0.475 1071 T N -1.741 112.909 114.554 0.159 0.000 2.922 1071 T HA 0.466 4.815 4.350 -0.001 0.000 0.281 1071 T C -1.929 172.621 174.700 -0.250 0.000 1.005 1071 T CA -1.851 60.131 62.100 -0.197 0.000 0.982 1071 T CB 1.443 70.257 68.868 -0.091 0.000 1.158 1071 T HN -0.039 nan 8.240 nan 0.000 0.566 1072 P HA -0.080 nan 4.420 nan 0.000 0.216 1072 P C 1.488 178.730 177.300 -0.098 0.000 1.150 1072 P CA 1.613 64.587 63.100 -0.210 0.000 0.843 1072 P CB -0.178 31.398 31.700 -0.206 0.000 0.787 1073 T N -5.731 108.768 114.554 -0.092 0.000 3.022 1073 T HA 0.266 4.615 4.350 -0.001 0.000 0.250 1073 T C 0.722 175.384 174.700 -0.064 0.000 1.060 1073 T CA -0.180 61.886 62.100 -0.056 0.000 1.013 1073 T CB 0.245 69.087 68.868 -0.044 0.000 0.982 1073 T HN -0.029 nan 8.240 nan 0.000 0.508 1074 R N 0.282 120.738 120.500 -0.074 0.000 2.698 1074 R HA 0.501 4.840 4.340 -0.001 0.000 0.275 1074 R C -1.830 174.361 176.300 -0.182 0.000 1.001 1074 R CA -0.839 55.139 56.100 -0.204 0.000 0.896 1074 R CB 1.506 31.531 30.300 -0.457 0.000 1.218 1074 R HN 0.313 nan 8.270 nan 0.000 0.462 1075 H N 1.438 120.299 119.070 -0.348 0.000 2.488 1075 H HA 0.355 4.910 4.556 -0.001 0.000 0.322 1075 H C -1.395 173.564 175.328 -0.614 0.000 1.078 1075 H CA -0.217 55.653 56.048 -0.298 0.000 1.260 1075 H CB 0.541 30.213 29.762 -0.149 0.000 1.425 1075 H HN 0.395 nan 8.280 nan 0.000 0.471 1076 Y N 2.814 122.572 120.300 -0.902 0.000 2.377 1076 Y HA 0.592 5.142 4.550 -0.001 0.000 0.339 1076 Y C -0.111 175.204 175.900 -0.975 0.000 1.011 1076 Y CA -0.755 56.814 58.100 -0.885 0.000 1.093 1076 Y CB 1.898 39.877 38.460 -0.803 0.000 1.201 1076 Y HN 0.822 nan 8.280 nan 0.000 0.455 1077 A N 2.642 125.174 122.820 -0.480 0.000 2.318 1077 A HA 0.560 4.879 4.320 -0.001 0.000 0.324 1077 A C -1.649 175.964 177.584 0.049 0.000 1.170 1077 A CA -0.553 51.424 52.037 -0.100 0.000 0.810 1077 A CB 0.327 19.375 19.000 0.080 0.000 1.198 1077 A HN 0.941 nan 8.150 nan 0.000 0.484 1078 H N 1.408 120.522 119.070 0.073 0.000 2.658 1078 H HA 0.596 5.151 4.556 -0.001 0.000 0.337 1078 H C -0.667 174.822 175.328 0.269 0.000 1.009 1078 H CA -0.742 55.397 56.048 0.151 0.000 1.231 1078 H CB 1.429 31.328 29.762 0.228 0.000 1.508 1078 H HN 0.698 nan 8.280 nan 0.000 0.517 1079 V N 1.659 121.766 119.914 0.322 0.000 3.019 1079 V HA 0.481 4.600 4.120 -0.001 0.000 0.317 1079 V C -0.293 175.759 176.094 -0.069 0.000 1.094 1079 V CA -0.997 61.435 62.300 0.220 0.000 1.000 1079 V CB 1.976 33.872 31.823 0.122 0.000 1.060 1079 V HN 0.774 nan 8.190 nan 0.000 0.443 1080 D N 0.473 120.528 120.400 -0.576 0.000 2.229 1080 D HA 0.565 5.205 4.640 -0.001 0.000 0.249 1080 D C -0.651 175.464 176.300 -0.308 0.000 1.027 1080 D CA -0.294 53.295 54.000 -0.684 0.000 0.923 1080 D CB 1.550 41.500 40.800 -1.415 0.000 1.174 1080 D HN 0.847 nan 8.370 nan 0.000 0.443 1081 C N 5.025 124.192 119.300 -0.222 0.000 3.094 1081 C HA 0.312 4.772 4.460 -0.001 0.000 0.262 1081 C C -1.294 173.727 174.990 0.051 0.000 1.459 1081 C CA -0.952 58.014 59.018 -0.086 0.000 1.570 1081 C CB 0.123 27.726 27.740 -0.229 0.000 2.056 1081 C HN 0.561 nan 8.230 nan 0.000 0.499 1082 P HA 0.061 nan 4.420 nan 0.000 0.226 1082 P C 0.650 178.135 177.300 0.309 0.000 1.153 1082 P CA 1.289 64.469 63.100 0.133 0.000 0.777 1082 P CB 0.535 32.256 31.700 0.036 0.000 0.794 1083 G N -1.015 107.906 108.800 0.202 0.000 2.687 1083 G HA2 0.223 4.183 3.960 -0.001 0.000 0.301 1083 G HA3 0.223 4.183 3.960 -0.001 0.000 0.301 1083 G C 0.141 174.936 174.900 -0.175 0.000 1.416 1083 G CA -0.223 44.848 45.100 -0.048 0.000 1.005 1083 G HN -0.050 nan 8.290 nan 0.000 0.509 1084 H N 2.808 121.406 119.070 -0.787 0.000 2.256 1084 H HA -0.117 4.439 4.556 -0.001 0.000 0.299 1084 H C 2.578 177.806 175.328 -0.166 0.000 1.071 1084 H CA 2.268 57.993 56.048 -0.538 0.000 1.280 1084 H CB -0.033 29.272 29.762 -0.763 0.000 1.370 1084 H HN 0.514 nan 8.280 nan 0.000 0.490 1085 A N 0.858 123.722 122.820 0.073 0.000 1.933 1085 A HA -0.175 4.145 4.320 -0.001 0.000 0.218 1085 A C 2.238 179.816 177.584 -0.010 0.000 1.175 1085 A CA 1.811 53.893 52.037 0.075 0.000 0.628 1085 A CB -0.429 18.593 19.000 0.035 0.000 0.814 1085 A HN 0.464 nan 8.150 nan 0.000 0.444 1086 D N -1.821 118.561 120.400 -0.029 0.000 2.117 1086 D HA -0.146 4.494 4.640 -0.001 0.000 0.197 1086 D C 1.685 177.950 176.300 -0.057 0.000 0.987 1086 D CA 1.439 55.410 54.000 -0.048 0.000 0.829 1086 D CB -0.366 40.420 40.800 -0.023 0.000 0.961 1086 D HN 0.584 nan 8.370 nan 0.000 0.460 1087 Y N 1.185 121.420 120.300 -0.108 0.000 2.200 1087 Y HA -0.192 4.358 4.550 -0.001 0.000 0.290 1087 Y C 2.241 178.068 175.900 -0.122 0.000 1.137 1087 Y CA 1.035 59.072 58.100 -0.105 0.000 1.163 1087 Y CB -0.339 38.072 38.460 -0.082 0.000 0.988 1087 Y HN -0.217 nan 8.280 nan 0.000 0.518 1088 V N 1.251 121.101 119.914 -0.107 0.000 2.287 1088 V HA -0.367 3.753 4.120 -0.001 0.000 0.248 1088 V C 2.476 178.452 176.094 -0.197 0.000 1.053 1088 V CA 2.448 64.666 62.300 -0.135 0.000 1.027 1088 V CB -0.743 31.055 31.823 -0.042 0.000 0.646 1088 V HN 0.433 nan 8.190 nan 0.000 0.447 1089 K N 0.108 120.385 120.400 -0.205 0.000 2.026 1089 K HA -0.233 4.086 4.320 -0.001 0.000 0.208 1089 K C 1.978 178.347 176.600 -0.385 0.000 1.048 1089 K CA 2.010 58.101 56.287 -0.327 0.000 0.929 1089 K CB -0.253 31.973 32.500 -0.457 0.000 0.713 1089 K HN 0.421 nan 8.250 nan 0.000 0.439 1090 N N 0.885 119.359 118.700 -0.377 0.000 2.120 1090 N HA -0.183 4.556 4.740 -0.001 0.000 0.188 1090 N C 1.685 176.967 175.510 -0.380 0.000 1.024 1090 N CA 1.321 54.154 53.050 -0.362 0.000 0.852 1090 N CB -0.285 37.998 38.487 -0.340 0.000 1.003 1090 N HN 0.293 nan 8.380 nan 0.000 0.424 1091 M N 0.625 119.917 119.600 -0.513 0.000 2.086 1091 M HA -0.056 4.423 4.480 -0.001 0.000 0.261 1091 M C 1.787 177.952 176.300 -0.225 0.000 1.067 1091 M CA 1.246 56.304 55.300 -0.404 0.000 1.116 1091 M CB -0.462 31.871 32.600 -0.444 0.000 1.348 1091 M HN 0.063 nan 8.290 nan 0.000 0.407 1092 I N 0.225 120.677 120.570 -0.197 0.000 2.226 1092 I HA -0.292 3.878 4.170 -0.001 0.000 0.245 1092 I C 2.201 178.236 176.117 -0.137 0.000 1.100 1092 I CA 1.924 63.147 61.300 -0.128 0.000 1.374 1092 I CB -0.605 37.356 38.000 -0.064 0.000 1.057 1092 I HN 0.416 nan 8.210 nan 0.000 0.413 1093 T N -1.967 112.491 114.554 -0.160 0.000 3.085 1093 T HA 0.136 4.486 4.350 -0.001 0.000 0.263 1093 T C 1.609 176.235 174.700 -0.123 0.000 1.127 1093 T CA 0.605 62.626 62.100 -0.132 0.000 1.103 1093 T CB 0.100 68.875 68.868 -0.155 0.000 0.921 1093 T HN 0.573 nan 8.240 nan 0.000 0.510 1094 G N 0.711 109.429 108.800 -0.137 0.000 2.159 1094 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.256 1094 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.256 1094 G C 1.075 175.908 174.900 -0.113 0.000 0.977 1094 G CA 0.187 45.220 45.100 -0.112 0.000 0.652 1094 G HN 1.070 nan 8.290 nan 0.000 0.531 1095 A N -0.782 121.957 122.820 -0.135 0.000 2.015 1095 A HA 0.646 4.966 4.320 -0.001 0.000 0.219 1095 A C 1.493 179.006 177.584 -0.119 0.000 1.163 1095 A CA 2.176 54.141 52.037 -0.120 0.000 0.646 1095 A CB -0.091 18.831 19.000 -0.130 0.000 0.806 1095 A HN 2.292 nan 8.150 nan 0.000 0.448 1096 A N -1.626 121.102 122.820 -0.153 0.000 2.572 1096 A HA 0.718 5.037 4.320 -0.001 0.000 0.295 1096 A C -0.708 176.800 177.584 -0.127 0.000 1.072 1096 A CA -0.322 51.639 52.037 -0.126 0.000 0.691 1096 A CB 1.184 20.096 19.000 -0.145 0.000 1.291 1096 A HN 0.328 nan 8.150 nan 0.000 0.404 1097 Q N 1.853 121.646 119.800 -0.012 0.000 2.686 1097 Q HA 0.315 4.655 4.340 -0.001 0.000 0.222 1097 Q C -1.616 174.453 176.000 0.114 0.000 0.777 1097 Q CA -0.110 55.717 55.803 0.040 0.000 1.018 1097 Q CB 0.769 29.508 28.738 0.003 0.000 1.563 1097 Q HN 0.850 nan 8.270 nan 0.000 0.479 1098 M N 3.070 122.789 119.600 0.199 0.000 2.228 1098 M HA 0.104 4.584 4.480 -0.001 0.000 0.351 1098 M C 0.152 176.528 176.300 0.127 0.000 1.233 1098 M CA 0.341 55.728 55.300 0.145 0.000 1.129 1098 M CB 0.590 33.258 32.600 0.113 0.000 1.604 1098 M HN 0.542 nan 8.290 nan 0.000 0.457 1099 D N 1.640 122.110 120.400 0.116 0.000 2.327 1099 D HA 0.173 4.813 4.640 -0.001 0.000 0.205 1099 D C 0.745 177.153 176.300 0.179 0.000 0.989 1099 D CA 0.592 54.675 54.000 0.137 0.000 0.873 1099 D CB 0.606 41.472 40.800 0.109 0.000 0.955 1099 D HN 0.786 nan 8.370 nan 0.000 0.515 1100 G N -0.408 108.476 108.800 0.140 0.000 2.720 1100 G HA2 0.584 4.543 3.960 -0.001 0.000 0.295 1100 G HA3 0.584 4.543 3.960 -0.001 0.000 0.295 1100 G C -1.742 173.189 174.900 0.052 0.000 1.437 1100 G CA -0.346 44.844 45.100 0.150 0.000 0.886 1100 G HN 0.134 nan 8.290 nan 0.000 0.509 1101 A N 0.483 123.314 122.820 0.019 0.000 2.365 1101 A HA 0.829 5.149 4.320 -0.001 0.000 0.318 1101 A C -0.625 176.917 177.584 -0.070 0.000 1.091 1101 A CA -0.659 51.329 52.037 -0.081 0.000 0.763 1101 A CB 1.082 19.993 19.000 -0.148 0.000 1.248 1101 A HN 0.685 nan 8.150 nan 0.000 0.442 1102 I N 2.493 123.004 120.570 -0.099 0.000 2.328 1102 I HA 0.217 4.386 4.170 -0.001 0.000 0.287 1102 I C -0.568 175.500 176.117 -0.083 0.000 1.012 1102 I CA -0.550 60.716 61.300 -0.057 0.000 1.195 1102 I CB 1.347 39.330 38.000 -0.028 0.000 1.350 1102 I HN 0.560 nan 8.210 nan 0.000 0.464 1103 L N 9.019 130.193 121.223 -0.083 0.000 2.278 1103 L HA 0.363 4.702 4.340 -0.001 0.000 0.287 1103 L C -0.390 176.470 176.870 -0.017 0.000 1.072 1103 L CA 0.049 54.828 54.840 -0.101 0.000 0.819 1103 L CB 0.974 42.959 42.059 -0.125 0.000 1.176 1103 L HN 0.301 nan 8.230 nan 0.000 0.435 1104 V N 6.482 126.389 119.914 -0.012 0.000 2.350 1104 V HA 0.454 4.573 4.120 -0.001 0.000 0.276 1104 V C -0.149 176.020 176.094 0.124 0.000 1.028 1104 V CA -0.548 61.808 62.300 0.092 0.000 0.860 1104 V CB 1.327 33.209 31.823 0.098 0.000 0.990 1104 V HN 0.540 nan 8.190 nan 0.000 0.453 1105 V N 4.041 124.031 119.914 0.126 0.000 2.487 1105 V HA 0.678 4.798 4.120 -0.001 0.000 0.298 1105 V C 0.439 176.514 176.094 -0.033 0.000 1.028 1105 V CA -0.783 61.614 62.300 0.162 0.000 0.860 1105 V CB 1.938 33.809 31.823 0.080 0.000 0.991 1105 V HN 0.938 nan 8.190 nan 0.000 0.427 1106 A N 3.446 126.038 122.820 -0.380 0.000 2.404 1106 A HA 0.622 4.941 4.320 -0.001 0.000 0.273 1106 A C 1.385 178.775 177.584 -0.323 0.000 1.144 1106 A CA 0.338 52.067 52.037 -0.513 0.000 0.806 1106 A CB 0.642 19.077 19.000 -0.942 0.000 1.080 1106 A HN 1.396 nan 8.150 nan 0.000 0.509 1107 A N 2.532 125.232 122.820 -0.201 0.000 2.125 1107 A HA -0.043 4.276 4.320 -0.001 0.000 0.219 1107 A C 2.123 179.637 177.584 -0.116 0.000 1.156 1107 A CA 2.054 54.010 52.037 -0.135 0.000 0.671 1107 A CB -0.935 17.996 19.000 -0.115 0.000 0.794 1107 A HN 1.163 nan 8.150 nan 0.000 0.459 1108 T N -2.649 111.819 114.554 -0.142 0.000 2.915 1108 T HA -0.100 4.249 4.350 -0.001 0.000 0.269 1108 T C 1.114 175.768 174.700 -0.077 0.000 1.071 1108 T CA 1.544 63.584 62.100 -0.100 0.000 1.132 1108 T CB -0.170 68.638 68.868 -0.100 0.000 0.878 1108 T HN 0.393 nan 8.240 nan 0.000 0.479 1109 D N 0.797 121.136 120.400 -0.102 0.000 2.615 1109 D HA 0.391 5.030 4.640 -0.001 0.000 0.259 1109 D C 1.382 177.670 176.300 -0.019 0.000 0.999 1109 D CA 1.209 55.189 54.000 -0.033 0.000 0.938 1109 D CB -0.136 40.687 40.800 0.038 0.000 1.121 1109 D HN 0.652 nan 8.370 nan 0.000 0.487 1110 G N 0.950 109.731 108.800 -0.031 0.000 2.728 1110 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.294 1110 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.294 1110 G C -2.637 172.296 174.900 0.056 0.000 1.342 1110 G CA -1.011 44.089 45.100 -0.000 0.000 0.866 1110 G HN -0.003 nan 8.290 nan 0.000 0.534 1111 P HA 0.220 nan 4.420 nan 0.000 0.263 1111 P C 0.508 177.818 177.300 0.016 0.000 1.175 1111 P CA 0.288 63.415 63.100 0.044 0.000 0.761 1111 P CB 0.288 32.004 31.700 0.027 0.000 0.794 1112 M N 5.493 125.079 119.600 -0.024 0.000 2.245 1112 M HA 0.247 4.727 4.480 -0.001 0.000 0.292 1112 M C -1.391 174.860 176.300 -0.081 0.000 1.176 1112 M CA -2.543 52.694 55.300 -0.105 0.000 1.035 1112 M CB -0.579 31.859 32.600 -0.271 0.000 1.440 1112 M HN 0.126 nan 8.290 nan 0.000 0.494 1113 P HA -0.148 nan 4.420 nan 0.000 0.217 1113 P C 1.207 178.455 177.300 -0.085 0.000 1.150 1113 P CA 1.283 64.352 63.100 -0.051 0.000 0.832 1113 P CB -0.081 31.602 31.700 -0.030 0.000 0.787 1114 Q N -1.165 118.545 119.800 -0.150 0.000 2.515 1114 Q HA -0.023 4.317 4.340 -0.001 0.000 0.212 1114 Q C 1.272 176.995 176.000 -0.462 0.000 0.970 1114 Q CA 1.197 56.842 55.803 -0.264 0.000 0.941 1114 Q CB -1.618 26.954 28.738 -0.277 0.000 0.998 1114 Q HN 0.134 nan 8.270 nan 0.000 0.518 1115 T N 2.379 116.780 114.554 -0.254 0.000 2.803 1115 T HA -0.157 4.192 4.350 -0.001 0.000 0.269 1115 T C 1.778 176.380 174.700 -0.163 0.000 1.052 1115 T CA 1.787 63.806 62.100 -0.137 0.000 1.136 1115 T CB -0.142 68.725 68.868 -0.002 0.000 0.864 1115 T HN 0.635 nan 8.240 nan 0.000 0.467 1116 R N 1.214 121.629 120.500 -0.142 0.000 2.092 1116 R HA -0.035 4.304 4.340 -0.001 0.000 0.231 1116 R C 1.920 178.041 176.300 -0.298 0.000 1.119 1116 R CA 1.200 57.185 56.100 -0.193 0.000 0.970 1116 R CB -0.372 29.929 30.300 0.000 0.000 0.864 1116 R HN 0.287 nan 8.270 nan 0.000 0.440 1117 E N 1.509 121.580 120.200 -0.214 0.000 2.077 1117 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 1117 E C 1.966 178.537 176.600 -0.048 0.000 0.989 1117 E CA 1.595 57.944 56.400 -0.086 0.000 0.800 1117 E CB -0.577 29.127 29.700 0.005 0.000 0.746 1117 E HN 0.686 nan 8.360 nan 0.000 0.452 1118 H N 0.570 119.498 119.070 -0.237 0.000 2.319 1118 H HA -0.058 4.497 4.556 -0.001 0.000 0.299 1118 H C 2.335 177.513 175.328 -0.250 0.000 1.092 1118 H CA 1.286 57.072 56.048 -0.437 0.000 1.302 1118 H CB -0.112 29.353 29.762 -0.495 0.000 1.373 1118 H HN 0.080 nan 8.280 nan 0.000 0.497 1119 I N 0.050 120.540 120.570 -0.134 0.000 2.315 1119 I HA -0.211 3.958 4.170 -0.001 0.000 0.248 1119 I C 2.206 178.251 176.117 -0.121 0.000 1.117 1119 I CA 0.490 61.687 61.300 -0.173 0.000 1.404 1119 I CB -0.066 37.811 38.000 -0.205 0.000 1.071 1119 I HN 0.192 nan 8.210 nan 0.000 0.419 1120 L N 0.688 121.756 121.223 -0.257 0.000 2.079 1120 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 1120 L C 2.250 179.182 176.870 0.102 0.000 1.081 1120 L CA 1.641 56.404 54.840 -0.129 0.000 0.752 1120 L CB -0.694 41.284 42.059 -0.134 0.000 0.896 1120 L HN 0.172 nan 8.230 nan 0.000 0.433 1121 L N -0.274 121.044 121.223 0.158 0.000 2.012 1121 L HA -0.086 4.254 4.340 -0.001 0.000 0.210 1121 L C 2.364 179.290 176.870 0.094 0.000 1.073 1121 L CA 2.222 57.154 54.840 0.154 0.000 0.748 1121 L CB -1.506 40.678 42.059 0.209 0.000 0.891 1121 L HN 0.295 nan 8.230 nan 0.000 0.431 1122 G N -0.938 107.910 108.800 0.080 0.000 2.476 1122 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.218 1122 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.218 1122 G C 1.750 176.836 174.900 0.310 0.000 1.164 1122 G CA 1.014 46.200 45.100 0.143 0.000 0.768 1122 G HN 0.418 nan 8.290 nan 0.000 0.560 1123 R N 0.460 121.170 120.500 0.349 0.000 2.083 1123 R HA -0.058 4.282 4.340 -0.001 0.000 0.237 1123 R C 2.727 179.104 176.300 0.129 0.000 1.137 1123 R CA 2.072 58.291 56.100 0.198 0.000 0.951 1123 R CB -0.588 29.814 30.300 0.170 0.000 0.851 1123 R HN 0.503 nan 8.270 nan 0.000 0.434 1124 Q N -0.452 119.433 119.800 0.142 0.000 2.084 1124 Q HA -0.100 4.239 4.340 -0.001 0.000 0.202 1124 Q C 1.789 177.854 176.000 0.108 0.000 0.978 1124 Q CA 1.892 57.770 55.803 0.125 0.000 0.844 1124 Q CB -0.022 28.811 28.738 0.158 0.000 0.898 1124 Q HN 0.449 nan 8.270 nan 0.000 0.426 1125 V N -2.845 117.140 119.914 0.119 0.000 3.646 1125 V HA 0.345 4.464 4.120 -0.001 0.000 0.277 1125 V C 0.903 177.067 176.094 0.117 0.000 1.274 1125 V CA 0.446 62.822 62.300 0.127 0.000 1.164 1125 V CB -0.684 31.266 31.823 0.213 0.000 0.926 1125 V HN 0.386 nan 8.190 nan 0.000 0.442 1126 G N 0.974 109.837 108.800 0.105 0.000 2.371 1126 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.299 1126 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.299 1126 G C -0.026 174.935 174.900 0.102 0.000 1.014 1126 G CA 0.299 45.446 45.100 0.078 0.000 1.097 1126 G HN 0.949 nan 8.290 nan 0.000 0.512 1127 V N 0.536 120.546 119.914 0.160 0.000 2.485 1127 V HA 0.125 4.245 4.120 -0.001 0.000 0.287 1127 V C 0.012 176.209 176.094 0.172 0.000 1.022 1127 V CA -0.399 61.999 62.300 0.164 0.000 1.067 1127 V CB 1.047 32.955 31.823 0.142 0.000 0.967 1127 V HN 0.303 nan 8.190 nan 0.000 0.479 1128 P HA -0.014 nan 4.420 nan 0.000 0.217 1128 P C -0.413 176.602 177.300 -0.476 0.000 1.151 1128 P CA 1.171 64.134 63.100 -0.229 0.000 0.828 1128 P CB 0.132 31.734 31.700 -0.163 0.000 0.788 1129 Y N -1.432 118.966 120.300 0.165 0.000 2.457 1129 Y HA 0.502 5.051 4.550 -0.001 0.000 0.343 1129 Y C 0.071 176.044 175.900 0.122 0.000 0.994 1129 Y CA -1.039 57.162 58.100 0.169 0.000 1.031 1129 Y CB 1.764 40.241 38.460 0.029 0.000 1.246 1129 Y HN -0.317 nan 8.280 nan 0.000 0.449 1130 I N 4.631 125.335 120.570 0.223 0.000 2.465 1130 I HA 0.482 4.651 4.170 -0.001 0.000 0.291 1130 I C -0.791 175.355 176.117 0.049 0.000 1.014 1130 I CA -0.655 60.635 61.300 -0.016 0.000 1.093 1130 I CB 1.762 39.521 38.000 -0.402 0.000 1.267 1130 I HN 0.488 nan 8.210 nan 0.000 0.431 1131 I N 6.017 126.590 120.570 0.005 0.000 2.493 1131 I HA 0.406 4.575 4.170 -0.001 0.000 0.298 1131 I C -0.537 175.537 176.117 -0.071 0.000 0.998 1131 I CA -0.955 60.298 61.300 -0.077 0.000 1.137 1131 I CB 2.303 40.294 38.000 -0.014 0.000 1.310 1131 I HN 0.161 nan 8.210 nan 0.000 0.445 1132 V N 5.851 125.703 119.914 -0.105 0.000 2.394 1132 V HA 0.276 4.395 4.120 -0.001 0.000 0.282 1132 V C -0.649 175.467 176.094 0.037 0.000 1.031 1132 V CA -0.547 61.725 62.300 -0.046 0.000 0.881 1132 V CB 1.443 33.214 31.823 -0.087 0.000 0.982 1132 V HN 0.412 nan 8.190 nan 0.000 0.451 1133 F N 5.764 125.684 119.950 -0.049 0.000 2.332 1133 F HA 0.525 5.052 4.527 -0.001 0.000 0.368 1133 F C -0.021 175.767 175.800 -0.020 0.000 1.110 1133 F CA -0.647 57.343 58.000 -0.018 0.000 1.087 1133 F CB 0.826 39.825 39.000 -0.001 0.000 1.235 1133 F HN 0.314 nan 8.300 nan 0.000 0.470 1134 L N 6.089 127.054 121.223 -0.430 0.000 2.342 1134 L HA 0.178 4.518 4.340 -0.001 0.000 0.285 1134 L C 0.167 176.741 176.870 -0.492 0.000 1.095 1134 L CA -0.247 54.393 54.840 -0.332 0.000 0.843 1134 L CB -0.005 41.907 42.059 -0.245 0.000 1.201 1134 L HN 0.599 nan 8.230 nan 0.000 0.445 1135 N N 2.922 121.499 118.700 -0.206 0.000 2.434 1135 N HA 0.173 4.913 4.740 -0.001 0.000 0.266 1135 N C 0.076 175.495 175.510 -0.151 0.000 1.223 1135 N CA -0.334 52.671 53.050 -0.075 0.000 0.972 1135 N CB 0.712 39.283 38.487 0.139 0.000 1.207 1135 N HN 0.357 nan 8.380 nan 0.000 0.525 1136 K N -0.416 119.894 120.400 -0.150 0.000 3.069 1136 K HA -0.209 4.110 4.320 -0.001 0.000 0.267 1136 K C 0.474 176.944 176.600 -0.217 0.000 1.082 1136 K CA 0.302 56.471 56.287 -0.197 0.000 0.782 1136 K CB -2.121 30.286 32.500 -0.155 0.000 1.230 1136 K HN 0.447 nan 8.250 nan 0.000 0.488 1137 C N 1.172 120.318 119.300 -0.257 0.000 2.456 1137 C HA -0.086 4.373 4.460 -0.001 0.000 0.279 1137 C C 2.304 177.230 174.990 -0.107 0.000 1.427 1137 C CA 0.953 59.888 59.018 -0.139 0.000 1.778 1137 C CB -0.652 27.086 27.740 -0.003 0.000 1.842 1137 C HN 0.672 nan 8.230 nan 0.000 0.531 1138 D N 0.147 120.333 120.400 -0.357 0.000 2.269 1138 D HA -0.097 4.542 4.640 -0.001 0.000 0.208 1138 D C 1.527 177.775 176.300 -0.087 0.000 0.963 1138 D CA 0.904 54.782 54.000 -0.204 0.000 0.864 1138 D CB -0.360 40.152 40.800 -0.480 0.000 0.936 1138 D HN 0.294 nan 8.370 nan 0.000 0.505 1139 M N 0.935 120.464 119.600 -0.118 0.000 2.568 1139 M HA 0.173 4.653 4.480 -0.001 0.000 0.226 1139 M C -0.157 176.116 176.300 -0.045 0.000 1.148 1139 M CA -0.167 55.089 55.300 -0.073 0.000 1.007 1139 M CB 0.433 32.980 32.600 -0.087 0.000 1.651 1139 M HN -0.197 nan 8.290 nan 0.000 0.488 1140 V N 1.575 121.472 119.914 -0.029 0.000 2.409 1140 V HA 0.158 4.278 4.120 -0.001 0.000 0.291 1140 V C 0.430 176.531 176.094 0.012 0.000 1.020 1140 V CA -0.772 61.520 62.300 -0.014 0.000 0.848 1140 V CB 1.644 33.455 31.823 -0.021 0.000 0.990 1140 V HN 0.284 nan 8.190 nan 0.000 0.430 1141 D N 2.581 122.985 120.400 0.008 0.000 2.165 1141 D HA -0.062 4.578 4.640 -0.001 0.000 0.213 1141 D C 0.776 177.084 176.300 0.014 0.000 0.983 1141 D CA 0.346 54.355 54.000 0.015 0.000 0.881 1141 D CB -0.250 40.555 40.800 0.009 0.000 1.028 1141 D HN 0.469 nan 8.370 nan 0.000 0.457 1142 D N 0.635 121.039 120.400 0.006 0.000 2.401 1142 D HA -0.043 4.596 4.640 -0.001 0.000 0.254 1142 D C 0.963 177.265 176.300 0.004 0.000 1.192 1142 D CA 0.055 54.057 54.000 0.004 0.000 0.885 1142 D CB 0.889 41.689 40.800 0.000 0.000 1.147 1142 D HN 0.083 nan 8.370 nan 0.000 0.478 1143 E N 3.393 123.596 120.200 0.005 0.000 2.204 1143 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 1143 E C 1.189 177.787 176.600 -0.003 0.000 0.989 1143 E CA 0.741 57.143 56.400 0.003 0.000 0.824 1143 E CB 0.214 29.916 29.700 0.002 0.000 0.756 1143 E HN 0.715 nan 8.360 nan 0.000 0.477 1144 E N 0.059 120.257 120.200 -0.003 0.000 2.268 1144 E HA -0.109 4.241 4.350 -0.001 0.000 0.195 1144 E C 2.240 178.835 176.600 -0.007 0.000 0.995 1144 E CA 0.294 56.691 56.400 -0.005 0.000 0.836 1144 E CB 0.067 29.765 29.700 -0.004 0.000 0.763 1144 E HN 0.282 nan 8.360 nan 0.000 0.491 1145 L N 0.347 121.566 121.223 -0.008 0.000 2.109 1145 L HA -0.147 4.192 4.340 -0.001 0.000 0.207 1145 L C 2.421 179.281 176.870 -0.017 0.000 1.086 1145 L CA 0.589 55.422 54.840 -0.011 0.000 0.760 1145 L CB -0.328 41.724 42.059 -0.011 0.000 0.910 1145 L HN 0.239 nan 8.230 nan 0.000 0.437 1146 L N -0.179 121.034 121.223 -0.017 0.000 2.079 1146 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 1146 L C 2.625 179.480 176.870 -0.025 0.000 1.081 1146 L CA 1.132 55.958 54.840 -0.024 0.000 0.752 1146 L CB -0.428 41.620 42.059 -0.018 0.000 0.896 1146 L HN 0.272 nan 8.230 nan 0.000 0.433 1147 E N 0.378 120.568 120.200 -0.018 0.000 2.150 1147 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 1147 E C 2.015 178.606 176.600 -0.015 0.000 0.985 1147 E CA 1.008 57.398 56.400 -0.016 0.000 0.814 1147 E CB -0.110 29.583 29.700 -0.011 0.000 0.752 1147 E HN 0.136 nan 8.360 nan 0.000 0.466 1148 L N -0.326 120.889 121.223 -0.013 0.000 2.017 1148 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 1148 L C 2.375 179.237 176.870 -0.012 0.000 1.073 1148 L CA 1.223 56.057 54.840 -0.010 0.000 0.745 1148 L CB -0.930 41.124 42.059 -0.009 0.000 0.894 1148 L HN 0.101 nan 8.230 nan 0.000 0.432 1149 V N -0.639 119.264 119.914 -0.019 0.000 2.295 1149 V HA -0.288 3.831 4.120 -0.001 0.000 0.246 1149 V C 2.511 178.591 176.094 -0.024 0.000 1.049 1149 V CA 1.633 63.920 62.300 -0.022 0.000 1.024 1149 V CB -0.499 31.302 31.823 -0.036 0.000 0.648 1149 V HN 0.469 nan 8.190 nan 0.000 0.447 1150 E N -0.588 119.594 120.200 -0.031 0.000 2.086 1150 E HA -0.280 4.069 4.350 -0.001 0.000 0.200 1150 E C 2.282 178.868 176.600 -0.022 0.000 1.012 1150 E CA 1.690 58.069 56.400 -0.035 0.000 0.812 1150 E CB -0.189 29.488 29.700 -0.038 0.000 0.743 1150 E HN 0.382 nan 8.360 nan 0.000 0.453 1151 M N 0.327 119.918 119.600 -0.014 0.000 2.132 1151 M HA -0.121 4.359 4.480 -0.001 0.000 0.263 1151 M C 1.958 178.260 176.300 0.003 0.000 1.065 1151 M CA 1.336 56.633 55.300 -0.005 0.000 1.122 1151 M CB -0.831 31.767 32.600 -0.003 0.000 1.365 1151 M HN 0.101 nan 8.290 nan 0.000 0.411 1152 E N -0.284 119.918 120.200 0.003 0.000 2.058 1152 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 1152 E C 2.078 178.690 176.600 0.020 0.000 0.997 1152 E CA 1.425 57.833 56.400 0.013 0.000 0.801 1152 E CB -0.033 29.673 29.700 0.010 0.000 0.746 1152 E HN 0.250 nan 8.360 nan 0.000 0.450 1153 V N 1.031 120.951 119.914 0.009 0.000 2.295 1153 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 1153 V C 2.242 178.348 176.094 0.021 0.000 1.049 1153 V CA 1.748 64.055 62.300 0.010 0.000 1.024 1153 V CB -0.470 31.345 31.823 -0.014 0.000 0.648 1153 V HN 0.212 nan 8.190 nan 0.000 0.447 1154 R N -0.112 120.394 120.500 0.011 0.000 2.091 1154 R HA -0.175 4.164 4.340 -0.001 0.000 0.238 1154 R C 2.313 178.642 176.300 0.049 0.000 1.136 1154 R CA 1.742 57.855 56.100 0.022 0.000 0.959 1154 R CB -0.336 29.968 30.300 0.007 0.000 0.856 1154 R HN 0.625 nan 8.270 nan 0.000 0.437 1155 E N 0.731 120.956 120.200 0.042 0.000 2.072 1155 E HA -0.151 4.199 4.350 -0.001 0.000 0.191 1155 E C 2.191 178.838 176.600 0.078 0.000 0.985 1155 E CA 0.821 57.250 56.400 0.047 0.000 0.801 1155 E CB -0.099 29.620 29.700 0.031 0.000 0.750 1155 E HN 0.309 nan 8.360 nan 0.000 0.452 1156 L N 0.771 122.054 121.223 0.100 0.000 2.043 1156 L HA -0.240 4.099 4.340 -0.001 0.000 0.212 1156 L C 2.552 179.589 176.870 0.278 0.000 1.075 1156 L CA 1.073 56.022 54.840 0.182 0.000 0.752 1156 L CB -0.414 41.734 42.059 0.148 0.000 0.891 1156 L HN 0.189 nan 8.230 nan 0.000 0.432 1157 L N -1.149 120.194 121.223 0.201 0.000 2.046 1157 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 1157 L C 2.664 179.722 176.870 0.313 0.000 1.077 1157 L CA 1.154 56.157 54.840 0.273 0.000 0.747 1157 L CB -0.415 41.742 42.059 0.162 0.000 0.896 1157 L HN 0.173 nan 8.230 nan 0.000 0.432 1158 S N -0.955 114.852 115.700 0.179 0.000 2.402 1158 S HA -0.214 4.256 4.470 -0.001 0.000 0.229 1158 S C 1.902 176.532 174.600 0.050 0.000 1.021 1158 S CA 0.930 59.197 58.200 0.110 0.000 0.974 1158 S CB -0.180 63.058 63.200 0.063 0.000 0.800 1158 S HN 0.407 nan 8.310 nan 0.000 0.484 1159 Q N -0.530 119.282 119.800 0.021 0.000 2.181 1159 Q HA -0.105 4.234 4.340 -0.001 0.000 0.205 1159 Q C 0.399 176.176 176.000 -0.372 0.000 0.980 1159 Q CA 1.218 56.905 55.803 -0.192 0.000 0.862 1159 Q CB -0.040 28.537 28.738 -0.268 0.000 0.905 1159 Q HN 0.673 nan 8.270 nan 0.000 0.429 1160 Y N -0.357 119.998 120.300 0.092 0.000 2.658 1160 Y HA 0.109 4.659 4.550 -0.001 0.000 0.276 1160 Y C -0.307 175.562 175.900 -0.052 0.000 1.167 1160 Y CA -0.287 57.859 58.100 0.076 0.000 1.230 1160 Y CB 0.703 39.274 38.460 0.185 0.000 1.144 1160 Y HN 0.054 nan 8.280 nan 0.000 0.529 1161 D N -1.042 119.368 120.400 0.015 0.000 3.068 1161 D HA -0.206 4.433 4.640 -0.001 0.000 0.218 1161 D C -0.602 175.568 176.300 -0.216 0.000 1.145 1161 D CA 0.691 54.625 54.000 -0.109 0.000 0.896 1161 D CB -1.541 39.158 40.800 -0.167 0.000 1.105 1161 D HN 0.231 nan 8.370 nan 0.000 0.423 1162 F N 0.194 120.187 119.950 0.071 0.000 2.377 1162 F HA 0.344 4.870 4.527 -0.001 0.000 0.328 1162 F C -1.478 174.358 175.800 0.059 0.000 1.094 1162 F CA -2.192 55.844 58.000 0.060 0.000 1.093 1162 F CB 0.454 39.498 39.000 0.073 0.000 1.214 1162 F HN -0.315 nan 8.300 nan 0.000 0.518 1163 P HA 0.071 nan 4.420 nan 0.000 0.238 1163 P C 1.009 178.400 177.300 0.152 0.000 1.729 1163 P CA 0.264 63.471 63.100 0.179 0.000 1.055 1163 P CB -0.231 31.595 31.700 0.210 0.000 1.980 1164 G N 1.556 110.437 108.800 0.135 0.000 2.505 1164 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.220 1164 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.220 1164 G C 1.127 176.051 174.900 0.040 0.000 1.145 1164 G CA 0.663 45.814 45.100 0.085 0.000 0.761 1164 G HN 0.271 nan 8.290 nan 0.000 0.571 1165 D N 0.700 121.126 120.400 0.043 0.000 2.264 1165 D HA -0.043 4.597 4.640 -0.001 0.000 0.208 1165 D C 1.057 177.367 176.300 0.016 0.000 0.966 1165 D CA 0.904 54.919 54.000 0.025 0.000 0.864 1165 D CB -0.010 40.808 40.800 0.031 0.000 0.933 1165 D HN 0.262 nan 8.370 nan 0.000 0.499 1166 D N -0.093 120.328 120.400 0.035 0.000 2.431 1166 D HA 0.030 4.670 4.640 -0.001 0.000 0.213 1166 D C -0.000 176.268 176.300 -0.053 0.000 1.130 1166 D CA 0.118 54.138 54.000 0.033 0.000 0.834 1166 D CB 0.460 41.329 40.800 0.114 0.000 0.985 1166 D HN -0.079 nan 8.370 nan 0.000 0.504 1167 T N 3.347 117.846 114.554 -0.092 0.000 2.834 1167 T HA 0.212 4.562 4.350 -0.001 0.000 0.298 1167 T C -2.412 172.033 174.700 -0.424 0.000 0.966 1167 T CA -0.966 60.983 62.100 -0.253 0.000 1.141 1167 T CB 1.241 70.029 68.868 -0.133 0.000 0.905 1167 T HN -0.075 nan 8.240 nan 0.000 0.535 1168 P HA 0.307 nan 4.420 nan 0.000 0.271 1168 P C -0.652 176.267 177.300 -0.634 0.000 1.226 1168 P CA -0.071 62.457 63.100 -0.953 0.000 0.765 1168 P CB 0.286 30.923 31.700 -1.772 0.000 0.835 1169 I N 3.456 123.767 120.570 -0.432 0.000 2.439 1169 I HA 0.203 4.372 4.170 -0.001 0.000 0.283 1169 I C -0.369 175.665 176.117 -0.139 0.000 1.023 1169 I CA -1.036 60.123 61.300 -0.235 0.000 1.100 1169 I CB 1.874 39.777 38.000 -0.162 0.000 1.238 1169 I HN -0.032 nan 8.210 nan 0.000 0.445 1170 V N 6.746 126.611 119.914 -0.080 0.000 2.498 1170 V HA 0.344 4.464 4.120 -0.001 0.000 0.279 1170 V C 0.453 176.408 176.094 -0.232 0.000 1.048 1170 V CA -0.563 61.728 62.300 -0.014 0.000 0.967 1170 V CB 1.192 33.126 31.823 0.184 0.000 0.988 1170 V HN 0.638 nan 8.190 nan 0.000 0.473 1171 R N 3.527 123.941 120.500 -0.144 0.000 2.233 1171 R HA 0.598 4.938 4.340 -0.001 0.000 0.334 1171 R C 0.364 176.620 176.300 -0.073 0.000 1.037 1171 R CA -0.099 55.902 56.100 -0.165 0.000 0.920 1171 R CB 1.281 31.558 30.300 -0.038 0.000 1.137 1171 R HN 0.921 nan 8.270 nan 0.000 0.492 1172 G N -0.158 108.428 108.800 -0.357 0.000 3.176 1172 G HA2 0.460 4.420 3.960 -0.001 0.000 0.272 1172 G HA3 0.460 4.420 3.960 -0.001 0.000 0.272 1172 G C -1.217 173.629 174.900 -0.091 0.000 1.349 1172 G CA -0.444 44.665 45.100 0.015 0.000 0.953 1172 G HN 0.298 nan 8.290 nan 0.000 0.559 1173 S N -1.511 114.218 115.700 0.049 0.000 2.680 1173 S HA 0.521 4.990 4.470 -0.001 0.000 0.262 1173 S C 0.840 175.433 174.600 -0.013 0.000 1.138 1173 S CA 0.512 58.554 58.200 -0.263 0.000 1.072 1173 S CB 0.970 63.512 63.200 -1.097 0.000 1.097 1173 S HN 1.359 nan 8.310 nan 0.000 0.468 1174 A N 5.259 128.121 122.820 0.070 0.000 1.898 1174 A HA 0.062 4.381 4.320 -0.001 0.000 0.216 1174 A C 1.934 179.481 177.584 -0.062 0.000 1.181 1174 A CA 1.040 53.077 52.037 -0.000 0.000 0.620 1174 A CB -0.525 18.459 19.000 -0.026 0.000 0.819 1174 A HN 0.695 nan 8.150 nan 0.000 0.442 1175 L N -0.483 120.680 121.223 -0.101 0.000 1.970 1175 L HA -0.153 4.187 4.340 -0.001 0.000 0.212 1175 L C 2.394 179.193 176.870 -0.119 0.000 1.071 1175 L CA 2.190 56.963 54.840 -0.111 0.000 0.751 1175 L CB -1.249 40.734 42.059 -0.128 0.000 0.889 1175 L HN 0.260 nan 8.230 nan 0.000 0.432 1176 K N -0.314 119.955 120.400 -0.217 0.000 2.147 1176 K HA -0.054 4.266 4.320 -0.001 0.000 0.205 1176 K C 2.048 178.658 176.600 0.016 0.000 1.049 1176 K CA 1.321 57.496 56.287 -0.186 0.000 0.936 1176 K CB -0.467 31.652 32.500 -0.636 0.000 0.722 1176 K HN 0.326 nan 8.250 nan 0.000 0.446 1177 A N -0.167 122.679 122.820 0.043 0.000 1.929 1177 A HA -0.067 4.252 4.320 -0.001 0.000 0.216 1177 A C 1.916 179.514 177.584 0.023 0.000 1.176 1177 A CA 0.941 53.037 52.037 0.098 0.000 0.628 1177 A CB -0.400 18.666 19.000 0.109 0.000 0.816 1177 A HN 0.225 nan 8.150 nan 0.000 0.444 1178 L N 0.113 121.325 121.223 -0.018 0.000 2.291 1178 L HA -0.025 4.314 4.340 -0.001 0.000 0.214 1178 L C 1.999 178.853 176.870 -0.027 0.000 1.120 1178 L CA 1.670 56.488 54.840 -0.037 0.000 0.799 1178 L CB -0.562 41.462 42.059 -0.058 0.000 0.925 1178 L HN 0.495 nan 8.230 nan 0.000 0.446 1179 E N -1.128 119.062 120.200 -0.015 0.000 2.112 1179 E HA 0.092 4.441 4.350 -0.001 0.000 0.190 1179 E C 1.409 178.014 176.600 0.008 0.000 0.979 1179 E CA 0.781 57.177 56.400 -0.007 0.000 0.814 1179 E CB -0.022 29.675 29.700 -0.005 0.000 0.762 1179 E HN 0.504 nan 8.360 nan 0.000 0.460 1180 G N 1.497 110.313 108.800 0.027 0.000 2.227 1180 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.168 1180 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.168 1180 G C -0.307 174.625 174.900 0.053 0.000 1.006 1180 G CA -0.127 44.989 45.100 0.027 0.000 0.684 1180 G HN 0.201 nan 8.290 nan 0.000 0.489 1181 D N 1.284 121.745 120.400 0.103 0.000 2.412 1181 D HA 0.522 5.161 4.640 -0.001 0.000 0.257 1181 D C 1.612 177.984 176.300 0.120 0.000 1.217 1181 D CA 0.654 54.739 54.000 0.142 0.000 0.897 1181 D CB 1.117 42.090 40.800 0.288 0.000 1.132 1181 D HN 0.403 nan 8.370 nan 0.000 0.493 1182 A N 4.777 127.621 122.820 0.041 0.000 1.933 1182 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 1182 A C 1.914 179.473 177.584 -0.042 0.000 1.175 1182 A CA 1.089 53.126 52.037 -0.000 0.000 0.628 1182 A CB -0.378 18.607 19.000 -0.025 0.000 0.814 1182 A HN 0.749 nan 8.150 nan 0.000 0.444 1183 E N -1.025 119.103 120.200 -0.120 0.000 2.160 1183 E HA -0.218 4.131 4.350 -0.001 0.000 0.195 1183 E C 1.643 178.018 176.600 -0.374 0.000 0.991 1183 E CA 1.361 57.575 56.400 -0.310 0.000 0.810 1183 E CB -0.151 29.261 29.700 -0.480 0.000 0.742 1183 E HN 0.865 nan 8.360 nan 0.000 0.466 1184 W N 0.654 121.956 121.300 0.003 0.000 2.576 1184 W HA 0.094 4.754 4.660 -0.001 0.000 0.275 1184 W C 2.243 178.778 176.519 0.027 0.000 1.241 1184 W CA -0.035 57.322 57.345 0.020 0.000 1.328 1184 W CB 0.087 29.561 29.460 0.022 0.000 1.092 1184 W HN 0.059 nan 8.180 nan 0.000 0.586 1185 E N 0.717 121.034 120.200 0.196 0.000 2.118 1185 E HA -0.235 4.114 4.350 -0.001 0.000 0.195 1185 E C 2.296 178.934 176.600 0.063 0.000 0.992 1185 E CA 1.327 57.785 56.400 0.097 0.000 0.804 1185 E CB -0.356 29.365 29.700 0.035 0.000 0.741 1185 E HN 0.245 nan 8.360 nan 0.000 0.458 1186 A N 1.592 124.430 122.820 0.031 0.000 1.978 1186 A HA -0.230 4.090 4.320 -0.001 0.000 0.220 1186 A C 1.924 179.536 177.584 0.047 0.000 1.170 1186 A CA 1.341 53.380 52.037 0.003 0.000 0.636 1186 A CB -0.200 18.769 19.000 -0.052 0.000 0.810 1186 A HN -0.009 nan 8.150 nan 0.000 0.448 1187 K N -0.230 120.239 120.400 0.115 0.000 2.097 1187 K HA -0.016 4.304 4.320 -0.001 0.000 0.205 1187 K C 1.846 178.597 176.600 0.252 0.000 1.050 1187 K CA 0.828 57.236 56.287 0.202 0.000 0.938 1187 K CB -0.564 32.129 32.500 0.320 0.000 0.718 1187 K HN 0.466 nan 8.250 nan 0.000 0.442 1188 I N 1.512 122.203 120.570 0.202 0.000 2.163 1188 I HA -0.247 3.923 4.170 -0.001 0.000 0.243 1188 I C 2.389 178.541 176.117 0.058 0.000 1.085 1188 I CA 1.240 62.597 61.300 0.095 0.000 1.347 1188 I CB -1.142 36.860 38.000 0.004 0.000 1.044 1188 I HN 0.067 nan 8.210 nan 0.000 0.408 1189 L N 0.208 121.462 121.223 0.052 0.000 2.083 1189 L HA -0.219 4.120 4.340 -0.001 0.000 0.209 1189 L C 2.574 179.467 176.870 0.038 0.000 1.083 1189 L CA 1.367 56.243 54.840 0.059 0.000 0.752 1189 L CB -0.603 41.480 42.059 0.042 0.000 0.899 1189 L HN 0.349 nan 8.230 nan 0.000 0.433 1190 E N 0.623 120.840 120.200 0.028 0.000 2.077 1190 E HA -0.277 4.072 4.350 -0.001 0.000 0.193 1190 E C 2.230 178.828 176.600 -0.003 0.000 0.989 1190 E CA 1.259 57.632 56.400 -0.044 0.000 0.800 1190 E CB -0.027 29.683 29.700 0.017 0.000 0.746 1190 E HN 0.319 nan 8.360 nan 0.000 0.452 1191 L N 0.752 122.080 121.223 0.175 0.000 2.046 1191 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 1191 L C 2.206 179.162 176.870 0.143 0.000 1.077 1191 L CA 2.228 57.230 54.840 0.270 0.000 0.747 1191 L CB -0.590 41.618 42.059 0.248 0.000 0.896 1191 L HN 0.141 nan 8.230 nan 0.000 0.432 1192 A N -0.575 122.272 122.820 0.045 0.000 2.014 1192 A HA 0.042 4.362 4.320 -0.001 0.000 0.218 1192 A C 2.312 179.910 177.584 0.022 0.000 1.163 1192 A CA 1.134 53.173 52.037 0.004 0.000 0.652 1192 A CB -1.450 17.565 19.000 0.024 0.000 0.808 1192 A HN 0.533 nan 8.150 nan 0.000 0.449 1193 G N -0.938 107.843 108.800 -0.032 0.000 2.418 1193 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.217 1193 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.217 1193 G C 1.284 176.130 174.900 -0.089 0.000 1.158 1193 G CA 1.116 46.147 45.100 -0.114 0.000 0.771 1193 G HN 0.408 nan 8.290 nan 0.000 0.545 1194 F N 0.777 120.765 119.950 0.063 0.000 2.186 1194 F HA 0.133 4.660 4.527 -0.001 0.000 0.299 1194 F C 2.647 178.518 175.800 0.117 0.000 1.090 1194 F CA 0.410 58.458 58.000 0.079 0.000 1.307 1194 F CB -0.544 38.480 39.000 0.039 0.000 1.019 1194 F HN 0.020 nan 8.300 nan 0.000 0.489 1195 L N -0.418 120.958 121.223 0.254 0.000 2.042 1195 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 1195 L C 2.132 179.162 176.870 0.267 0.000 1.076 1195 L CA 1.407 56.367 54.840 0.199 0.000 0.749 1195 L CB -0.761 41.269 42.059 -0.050 0.000 0.893 1195 L HN 0.045 nan 8.230 nan 0.000 0.432 1196 D N -0.392 120.150 120.400 0.236 0.000 2.117 1196 D HA -0.155 4.484 4.640 -0.001 0.000 0.197 1196 D C 2.400 178.773 176.300 0.122 0.000 0.987 1196 D CA 1.861 55.974 54.000 0.189 0.000 0.829 1196 D CB -0.032 40.834 40.800 0.111 0.000 0.961 1196 D HN 0.377 nan 8.370 nan 0.000 0.460 1197 S N -1.428 114.359 115.700 0.144 0.000 2.475 1197 S HA -0.051 4.419 4.470 -0.001 0.000 0.224 1197 S C 1.973 176.675 174.600 0.170 0.000 1.042 1197 S CA -0.127 58.155 58.200 0.136 0.000 0.935 1197 S CB -0.286 62.995 63.200 0.135 0.000 0.801 1197 S HN 0.247 nan 8.310 nan 0.000 0.509 1198 Y N 2.014 122.361 120.300 0.077 0.000 2.436 1198 Y HA 0.491 5.041 4.550 -0.001 0.000 0.288 1198 Y C 0.463 176.205 175.900 -0.263 0.000 1.112 1198 Y CA -0.555 57.541 58.100 -0.008 0.000 1.220 1198 Y CB 0.180 38.687 38.460 0.079 0.000 1.073 1198 Y HN 0.166 nan 8.280 nan 0.000 0.552 1199 I N 4.339 124.791 120.570 -0.196 0.000 2.301 1199 I HA 0.221 4.391 4.170 -0.001 0.000 0.292 1199 I C -2.256 173.686 176.117 -0.292 0.000 1.046 1199 I CA -2.033 59.028 61.300 -0.398 0.000 1.282 1199 I CB 0.735 38.698 38.000 -0.062 0.000 1.409 1199 I HN 0.022 nan 8.210 nan 0.000 0.484 1200 P HA 0.040 nan 4.420 nan 0.000 0.271 1200 P C -0.332 176.918 177.300 -0.082 0.000 1.218 1200 P CA -0.416 62.575 63.100 -0.183 0.000 0.780 1200 P CB 0.520 32.133 31.700 -0.144 0.000 0.901 1201 E N 3.648 123.819 120.200 -0.049 0.000 2.417 1201 E HA 0.057 4.407 4.350 -0.001 0.000 0.261 1201 E C -1.766 174.832 176.600 -0.004 0.000 1.000 1201 E CA -1.462 54.920 56.400 -0.029 0.000 0.919 1201 E CB -0.273 29.411 29.700 -0.027 0.000 0.955 1201 E HN 0.288 nan 8.360 nan 0.000 0.455 1202 P HA -0.056 nan 4.420 nan 0.000 0.268 1202 P C -0.807 176.508 177.300 0.025 0.000 1.208 1202 P CA 0.131 63.249 63.100 0.030 0.000 0.777 1202 P CB 0.456 32.181 31.700 0.041 0.000 0.875 1203 E N 2.234 122.452 120.200 0.029 0.000 2.366 1203 E HA 0.007 4.356 4.350 -0.001 0.000 0.266 1203 E C -0.238 176.375 176.600 0.022 0.000 1.015 1203 E CA -0.296 56.119 56.400 0.025 0.000 0.906 1203 E CB 0.372 30.088 29.700 0.028 0.000 0.979 1203 E HN 0.222 nan 8.360 nan 0.000 0.443 1204 R N 3.143 123.655 120.500 0.020 0.000 2.438 1204 R HA 0.158 4.497 4.340 -0.001 0.000 0.287 1204 R C 0.989 177.302 176.300 0.021 0.000 1.077 1204 R CA 0.204 56.314 56.100 0.018 0.000 1.034 1204 R CB 0.977 31.287 30.300 0.016 0.000 0.993 1204 R HN 0.700 nan 8.270 nan 0.000 0.459 1205 A N 3.485 126.317 122.820 0.019 0.000 1.927 1205 A HA -0.235 4.084 4.320 -0.001 0.000 0.220 1205 A C 1.944 179.548 177.584 0.034 0.000 1.185 1205 A CA 1.665 53.716 52.037 0.023 0.000 0.639 1205 A CB -0.458 18.553 19.000 0.019 0.000 0.820 1205 A HN 0.766 nan 8.150 nan 0.000 0.451 1206 I N -0.121 120.469 120.570 0.034 0.000 2.567 1206 I HA -0.169 4.000 4.170 -0.001 0.000 0.257 1206 I C 0.670 176.813 176.117 0.044 0.000 1.184 1206 I CA 1.622 62.947 61.300 0.043 0.000 1.451 1206 I CB -0.204 37.816 38.000 0.034 0.000 1.089 1206 I HN 0.228 nan 8.210 nan 0.000 0.441 1207 D N 0.176 120.597 120.400 0.035 0.000 2.339 1207 D HA 0.054 4.694 4.640 -0.001 0.000 0.217 1207 D C 0.690 177.012 176.300 0.037 0.000 1.050 1207 D CA 0.311 54.331 54.000 0.033 0.000 0.856 1207 D CB 0.123 40.939 40.800 0.026 0.000 0.922 1207 D HN 0.365 nan 8.370 nan 0.000 0.518 1208 K N 1.116 121.540 120.400 0.040 0.000 2.098 1208 K HA 0.356 4.675 4.320 -0.001 0.000 0.244 1208 K C -2.461 174.173 176.600 0.056 0.000 1.014 1208 K CA -1.639 54.671 56.287 0.039 0.000 0.917 1208 K CB 0.430 32.946 32.500 0.027 0.000 1.072 1208 K HN -0.154 nan 8.250 nan 0.000 0.477 1209 P HA -0.011 nan 4.420 nan 0.000 0.275 1209 P C -0.617 176.745 177.300 0.102 0.000 1.228 1209 P CA -0.335 62.813 63.100 0.081 0.000 0.786 1209 P CB 0.251 31.986 31.700 0.057 0.000 0.927 1210 F N 3.917 123.872 119.950 0.008 0.000 2.629 1210 F HA 0.223 4.749 4.527 -0.001 0.000 0.377 1210 F C -0.442 175.363 175.800 0.009 0.000 1.101 1210 F CA 0.416 58.421 58.000 0.009 0.000 1.301 1210 F CB -0.086 38.918 39.000 0.007 0.000 1.062 1210 F HN 0.195 nan 8.300 nan 0.000 0.583 1211 L N 7.765 128.398 121.223 -0.983 0.000 2.588 1211 L HA 0.539 4.879 4.340 -0.001 0.000 0.263 1211 L C -2.181 174.206 176.870 -0.805 0.000 0.935 1211 L CA -0.616 53.705 54.840 -0.865 0.000 0.891 1211 L CB 1.670 43.524 42.059 -0.342 0.000 1.318 1211 L HN 0.782 nan 8.230 nan 0.000 0.409 1212 L N 6.861 127.675 121.223 -0.682 0.000 2.404 1212 L HA 0.728 5.068 4.340 -0.001 0.000 0.272 1212 L C -2.532 174.255 176.870 -0.138 0.000 0.980 1212 L CA -1.372 53.300 54.840 -0.281 0.000 0.836 1212 L CB 2.231 44.242 42.059 -0.081 0.000 1.238 1212 L HN 0.379 nan 8.230 nan 0.000 0.408 1213 P HA 0.214 nan 4.420 nan 0.000 0.276 1213 P C -0.578 176.718 177.300 -0.008 0.000 1.243 1213 P CA 0.218 63.295 63.100 -0.039 0.000 0.768 1213 P CB 0.526 32.219 31.700 -0.012 0.000 0.856 1214 I N 3.633 124.196 120.570 -0.012 0.000 2.436 1214 I HA 0.028 4.197 4.170 -0.001 0.000 0.289 1214 I C 1.393 177.514 176.117 0.008 0.000 1.083 1214 I CA 0.418 61.722 61.300 0.006 0.000 1.372 1214 I CB 0.474 38.469 38.000 -0.008 0.000 1.408 1214 I HN 0.434 nan 8.210 nan 0.000 0.516 1215 E N 3.011 123.232 120.200 0.034 0.000 2.166 1215 E HA 0.023 4.372 4.350 -0.001 0.000 0.192 1215 E C -0.075 176.532 176.600 0.011 0.000 0.967 1215 E CA 0.484 56.907 56.400 0.039 0.000 0.840 1215 E CB 0.455 30.199 29.700 0.074 0.000 0.795 1215 E HN 0.563 nan 8.360 nan 0.000 0.470 1216 D N -1.035 119.365 120.400 0.001 0.000 2.639 1216 D HA 0.301 4.940 4.640 -0.001 0.000 0.271 1216 D C -1.691 174.452 176.300 -0.261 0.000 1.254 1216 D CA -0.590 53.308 54.000 -0.170 0.000 0.810 1216 D CB 2.409 43.095 40.800 -0.190 0.000 1.351 1216 D HN -0.227 nan 8.370 nan 0.000 0.427 1217 V N 1.433 121.002 119.914 -0.575 0.000 2.789 1217 V HA 0.686 4.805 4.120 -0.001 0.000 0.311 1217 V C -0.871 174.802 176.094 -0.700 0.000 1.073 1217 V CA -0.680 61.384 62.300 -0.393 0.000 0.921 1217 V CB 1.705 33.409 31.823 -0.198 0.000 1.009 1217 V HN 0.432 nan 8.190 nan 0.000 0.426 1218 F N 0.433 120.392 119.950 0.015 0.000 2.588 1218 F HA 0.611 5.137 4.527 -0.001 0.000 0.310 1218 F C 0.330 176.137 175.800 0.011 0.000 1.082 1218 F CA -0.675 57.334 58.000 0.015 0.000 0.929 1218 F CB 2.432 41.444 39.000 0.020 0.000 1.254 1218 F HN 0.296 nan 8.300 nan 0.000 0.455 1219 S N 3.497 119.307 115.700 0.184 0.000 2.461 1219 S HA 0.497 4.967 4.470 -0.001 0.000 0.322 1219 S C -0.579 174.084 174.600 0.104 0.000 1.063 1219 S CA -0.485 57.780 58.200 0.109 0.000 1.120 1219 S CB 0.230 63.467 63.200 0.062 0.000 0.968 1219 S HN 0.253 nan 8.310 nan 0.000 0.467 1220 I N 2.855 123.475 120.570 0.083 0.000 2.301 1220 I HA 0.200 4.369 4.170 -0.001 0.000 0.292 1220 I C 0.955 177.091 176.117 0.032 0.000 1.046 1220 I CA -0.280 61.050 61.300 0.051 0.000 1.282 1220 I CB 0.586 38.605 38.000 0.032 0.000 1.409 1220 I HN 0.452 nan 8.210 nan 0.000 0.484 1221 S N 4.630 120.346 115.700 0.028 0.000 2.546 1221 S HA 0.277 4.746 4.470 -0.001 0.000 0.290 1221 S C 1.255 175.861 174.600 0.011 0.000 1.262 1221 S CA 1.049 59.260 58.200 0.019 0.000 1.083 1221 S CB -0.012 63.198 63.200 0.017 0.000 0.859 1221 S HN 1.077 nan 8.310 nan 0.000 0.495 1222 G N 4.414 113.219 108.800 0.009 0.000 2.175 1222 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.244 1222 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.244 1222 G C 0.831 175.732 174.900 0.003 0.000 0.982 1222 G CA 0.453 45.555 45.100 0.004 0.000 0.641 1222 G HN 0.621 nan 8.290 nan 0.000 0.527 1223 R N -0.761 119.743 120.500 0.007 0.000 2.622 1223 R HA 0.478 4.818 4.340 -0.001 0.000 0.180 1223 R C 1.230 177.538 176.300 0.013 0.000 0.813 1223 R CA 1.494 57.598 56.100 0.006 0.000 1.049 1223 R CB 0.806 31.109 30.300 0.004 0.000 1.438 1223 R HN 1.495 nan 8.270 nan 0.000 0.636 1224 G N 0.201 109.014 108.800 0.022 0.000 2.306 1224 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.262 1224 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.262 1224 G C -0.993 173.934 174.900 0.045 0.000 1.263 1224 G CA -0.614 44.502 45.100 0.027 0.000 1.088 1224 G HN 0.050 nan 8.290 nan 0.000 0.489 1225 T N 0.670 115.250 114.554 0.044 0.000 2.832 1225 T HA 0.546 4.896 4.350 -0.001 0.000 0.296 1225 T C 0.203 174.952 174.700 0.081 0.000 0.968 1225 T CA 0.156 62.294 62.100 0.062 0.000 1.107 1225 T CB 1.252 70.145 68.868 0.041 0.000 0.916 1225 T HN 1.271 nan 8.240 nan 0.000 0.517 1226 V N 3.537 123.531 119.914 0.134 0.000 2.588 1226 V HA 0.646 4.765 4.120 -0.001 0.000 0.304 1226 V C 0.065 176.293 176.094 0.223 0.000 1.042 1226 V CA -1.169 61.227 62.300 0.159 0.000 0.877 1226 V CB 1.441 33.361 31.823 0.162 0.000 0.996 1226 V HN 0.799 nan 8.190 nan 0.000 0.425 1227 V N 1.223 121.236 119.914 0.165 0.000 2.630 1227 V HA 0.964 5.084 4.120 -0.001 0.000 0.305 1227 V C 0.177 176.387 176.094 0.193 0.000 1.046 1227 V CA -0.182 62.215 62.300 0.163 0.000 0.934 1227 V CB 1.608 33.487 31.823 0.094 0.000 1.003 1227 V HN 1.049 nan 8.190 nan 0.000 0.451 1228 T N 0.816 115.504 114.554 0.224 0.000 2.912 1228 T HA 0.982 5.331 4.350 -0.001 0.000 0.288 1228 T C 0.111 174.894 174.700 0.137 0.000 1.030 1228 T CA -0.043 62.175 62.100 0.195 0.000 1.020 1228 T CB 1.449 70.473 68.868 0.260 0.000 1.056 1228 T HN 1.977 nan 8.240 nan 0.000 0.480 1229 G N 0.659 109.528 108.800 0.114 0.000 2.340 1229 G HA2 0.479 4.438 3.960 -0.001 0.000 0.299 1229 G HA3 0.479 4.438 3.960 -0.001 0.000 0.299 1229 G C -1.849 173.100 174.900 0.081 0.000 1.291 1229 G CA -1.160 43.993 45.100 0.088 0.000 0.841 1229 G HN 0.828 nan 8.290 nan 0.000 0.500 1230 R N 0.158 120.696 120.500 0.064 0.000 2.338 1230 R HA 0.581 4.920 4.340 -0.001 0.000 0.317 1230 R C -0.443 175.891 176.300 0.056 0.000 0.968 1230 R CA -0.514 55.622 56.100 0.060 0.000 0.849 1230 R CB 1.558 31.886 30.300 0.047 0.000 1.128 1230 R HN 0.353 nan 8.270 nan 0.000 0.448 1231 V N 5.000 124.966 119.914 0.086 0.000 2.458 1231 V HA -0.064 4.055 4.120 -0.001 0.000 0.287 1231 V C 1.534 177.651 176.094 0.038 0.000 1.009 1231 V CA 0.600 62.960 62.300 0.100 0.000 1.091 1231 V CB 0.934 32.878 31.823 0.201 0.000 0.960 1231 V HN 0.946 nan 8.190 nan 0.000 0.476 1232 E N 5.303 125.486 120.200 -0.028 0.000 2.112 1232 E HA -0.006 4.344 4.350 -0.001 0.000 0.190 1232 E C 0.849 177.441 176.600 -0.012 0.000 0.979 1232 E CA 0.519 56.903 56.400 -0.026 0.000 0.814 1232 E CB 0.396 30.064 29.700 -0.053 0.000 0.762 1232 E HN 0.814 nan 8.360 nan 0.000 0.460 1233 R N -1.915 118.572 120.500 -0.022 0.000 2.712 1233 R HA 0.504 4.844 4.340 -0.001 0.000 0.272 1233 R C 0.027 176.384 176.300 0.095 0.000 1.032 1233 R CA -0.422 55.692 56.100 0.024 0.000 0.874 1233 R CB 0.665 30.968 30.300 0.004 0.000 1.256 1233 R HN 0.119 nan 8.270 nan 0.000 0.468 1234 G N 0.687 109.558 108.800 0.119 0.000 2.645 1234 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.239 1234 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.239 1234 G C -0.783 174.250 174.900 0.220 0.000 1.331 1234 G CA -0.095 45.111 45.100 0.177 0.000 0.890 1234 G HN 0.673 nan 8.290 nan 0.000 0.572 1235 I N -0.277 120.404 120.570 0.186 0.000 2.569 1235 I HA 0.511 4.681 4.170 -0.001 0.000 0.290 1235 I C -0.593 175.412 176.117 -0.187 0.000 1.088 1235 I CA -0.807 60.521 61.300 0.046 0.000 1.047 1235 I CB 1.904 39.908 38.000 0.007 0.000 1.237 1235 I HN 0.616 nan 8.210 nan 0.000 0.421 1236 I N 6.788 127.099 120.570 -0.432 0.000 2.354 1236 I HA 0.409 4.579 4.170 -0.001 0.000 0.292 1236 I C -0.781 175.137 176.117 -0.333 0.000 0.989 1236 I CA -0.180 60.684 61.300 -0.726 0.000 1.188 1236 I CB 0.806 37.969 38.000 -1.393 0.000 1.342 1236 I HN 0.442 nan 8.210 nan 0.000 0.457 1237 K N 6.003 126.254 120.400 -0.247 0.000 2.270 1237 K HA 0.533 4.852 4.320 -0.001 0.000 0.255 1237 K C -0.993 175.535 176.600 -0.119 0.000 0.936 1237 K CA -1.045 55.158 56.287 -0.141 0.000 0.809 1237 K CB 2.175 34.617 32.500 -0.097 0.000 1.131 1237 K HN 0.377 nan 8.250 nan 0.000 0.427 1238 V N 2.288 122.151 119.914 -0.085 0.000 2.681 1238 V HA -0.038 4.082 4.120 -0.001 0.000 0.306 1238 V C 1.430 177.492 176.094 -0.053 0.000 1.077 1238 V CA 2.037 64.300 62.300 -0.063 0.000 1.224 1238 V CB 0.172 31.968 31.823 -0.045 0.000 0.879 1238 V HN 1.198 nan 8.190 nan 0.000 0.494 1239 G N 3.497 112.269 108.800 -0.046 0.000 2.234 1239 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.235 1239 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.235 1239 G C 0.082 174.959 174.900 -0.038 0.000 0.997 1239 G CA 0.125 45.203 45.100 -0.036 0.000 0.623 1239 G HN 0.666 nan 8.290 nan 0.000 0.514 1240 E N 1.235 121.402 120.200 -0.055 0.000 2.366 1240 E HA 0.415 4.765 4.350 -0.001 0.000 0.266 1240 E C 0.151 176.728 176.600 -0.038 0.000 1.051 1240 E CA -0.270 56.098 56.400 -0.053 0.000 0.884 1240 E CB 0.806 30.455 29.700 -0.085 0.000 1.006 1240 E HN 0.484 nan 8.360 nan 0.000 0.417 1241 E N 1.032 121.222 120.200 -0.017 0.000 2.366 1241 E HA 0.230 4.579 4.350 -0.001 0.000 0.266 1241 E C -0.529 176.084 176.600 0.021 0.000 1.051 1241 E CA -0.362 56.038 56.400 0.001 0.000 0.884 1241 E CB 1.272 30.975 29.700 0.005 0.000 1.006 1241 E HN 0.250 nan 8.360 nan 0.000 0.417 1242 V N -0.845 119.092 119.914 0.039 0.000 3.078 1242 V HA 0.526 4.645 4.120 -0.001 0.000 0.311 1242 V C -0.667 175.463 176.094 0.060 0.000 1.138 1242 V CA -1.006 61.344 62.300 0.084 0.000 1.007 1242 V CB 2.042 33.943 31.823 0.130 0.000 1.045 1242 V HN 0.591 nan 8.190 nan 0.000 0.432 1243 E N 2.200 122.438 120.200 0.062 0.000 2.207 1243 E HA 0.575 4.925 4.350 -0.001 0.000 0.270 1243 E C -1.278 175.334 176.600 0.019 0.000 0.927 1243 E CA -0.966 55.450 56.400 0.026 0.000 0.799 1243 E CB 2.373 32.078 29.700 0.008 0.000 1.172 1243 E HN 0.594 nan 8.360 nan 0.000 0.404 1244 I N 3.076 123.645 120.570 -0.002 0.000 2.306 1244 I HA 0.230 4.399 4.170 -0.001 0.000 0.288 1244 I C -0.338 175.754 176.117 -0.042 0.000 1.036 1244 I CA -0.564 60.726 61.300 -0.017 0.000 1.221 1244 I CB 0.398 38.387 38.000 -0.019 0.000 1.385 1244 I HN 0.185 nan 8.210 nan 0.000 0.472 1245 V N 4.691 124.573 119.914 -0.055 0.000 2.459 1245 V HA 0.968 5.087 4.120 -0.001 0.000 0.295 1245 V C 0.478 176.517 176.094 -0.093 0.000 1.029 1245 V CA -0.452 61.803 62.300 -0.076 0.000 0.874 1245 V CB 1.295 33.069 31.823 -0.080 0.000 0.985 1245 V HN 1.061 nan 8.190 nan 0.000 0.438 1246 G N 2.954 111.691 108.800 -0.106 0.000 2.484 1246 G HA2 0.147 4.106 3.960 -0.001 0.000 0.685 1246 G HA3 0.147 4.106 3.960 -0.001 0.000 0.685 1246 G C -0.134 174.682 174.900 -0.140 0.000 1.294 1246 G CA -0.313 44.716 45.100 -0.118 0.000 0.879 1246 G HN 1.184 nan 8.290 nan 0.000 0.646 1247 I N -2.017 118.453 120.570 -0.167 0.000 4.473 1247 I HA -0.344 3.825 4.170 -0.001 0.000 0.062 1247 I C 1.417 177.389 176.117 -0.242 0.000 0.603 1247 I CA 2.420 63.513 61.300 -0.345 0.000 0.966 1247 I CB -1.236 36.490 38.000 -0.457 0.000 0.870 1247 I HN 0.696 nan 8.210 nan 0.000 0.168 1248 K N 1.297 121.596 120.400 -0.169 0.000 2.288 1248 K HA 0.399 4.718 4.320 -0.001 0.000 0.234 1248 K C 0.152 176.698 176.600 -0.089 0.000 1.037 1248 K CA -0.696 55.521 56.287 -0.117 0.000 0.914 1248 K CB 0.951 33.390 32.500 -0.101 0.000 1.197 1248 K HN 0.204 nan 8.250 nan 0.000 0.471 1249 E N 1.208 121.366 120.200 -0.069 0.000 2.452 1249 E HA -0.047 4.302 4.350 -0.001 0.000 0.261 1249 E C -0.861 175.704 176.600 -0.059 0.000 0.987 1249 E CA 0.158 56.523 56.400 -0.059 0.000 0.926 1249 E CB 0.541 30.213 29.700 -0.046 0.000 0.934 1249 E HN 0.317 nan 8.360 nan 0.000 0.452 1250 T N 4.676 119.195 114.554 -0.058 0.000 2.902 1250 T HA 0.017 4.367 4.350 -0.001 0.000 0.301 1250 T C -0.220 174.457 174.700 -0.038 0.000 1.012 1250 T CA 0.264 62.333 62.100 -0.052 0.000 1.151 1250 T CB 0.526 69.362 68.868 -0.053 0.000 0.946 1250 T HN 0.428 nan 8.240 nan 0.000 0.542 1251 Q N 1.747 121.528 119.800 -0.032 0.000 2.359 1251 Q HA 0.616 4.955 4.340 -0.001 0.000 0.275 1251 Q C -0.471 175.522 176.000 -0.012 0.000 1.082 1251 Q CA -0.950 54.840 55.803 -0.022 0.000 0.849 1251 Q CB 2.287 31.012 28.738 -0.022 0.000 1.377 1251 Q HN 0.436 nan 8.270 nan 0.000 0.452 1252 K N 0.067 120.463 120.400 -0.007 0.000 2.267 1252 K HA 0.733 5.053 4.320 -0.001 0.000 0.246 1252 K C -1.142 175.461 176.600 0.004 0.000 0.954 1252 K CA -0.293 55.994 56.287 0.001 0.000 0.824 1252 K CB 1.912 34.412 32.500 -0.000 0.000 1.167 1252 K HN 0.514 nan 8.250 nan 0.000 0.431 1253 S N 0.102 115.809 115.700 0.011 0.000 2.727 1253 S HA 0.542 5.012 4.470 -0.001 0.000 0.278 1253 S C -1.719 172.887 174.600 0.010 0.000 1.186 1253 S CA -0.647 57.559 58.200 0.010 0.000 0.836 1253 S CB 1.729 64.938 63.200 0.014 0.000 1.186 1253 S HN 0.519 nan 8.310 nan 0.000 0.499 1254 T N 1.296 115.853 114.554 0.005 0.000 2.848 1254 T HA 0.384 4.734 4.350 -0.001 0.000 0.285 1254 T C -0.505 174.191 174.700 -0.007 0.000 0.995 1254 T CA -0.347 61.751 62.100 -0.003 0.000 0.970 1254 T CB 0.942 69.806 68.868 -0.007 0.000 0.976 1254 T HN 0.786 nan 8.240 nan 0.000 0.441 1255 C N 4.624 123.911 119.300 -0.022 0.000 2.657 1255 C HA 0.314 4.773 4.460 -0.001 0.000 0.404 1255 C C 1.930 176.903 174.990 -0.029 0.000 1.369 1255 C CA 0.210 59.209 59.018 -0.031 0.000 1.665 1255 C CB -1.539 26.156 27.740 -0.076 0.000 2.453 1255 C HN 1.042 nan 8.230 nan 0.000 0.599 1256 T N 2.417 116.961 114.554 -0.017 0.000 3.069 1256 T HA 0.482 4.832 4.350 -0.001 0.000 0.252 1256 T C 0.579 175.268 174.700 -0.018 0.000 1.053 1256 T CA 0.374 62.465 62.100 -0.016 0.000 0.964 1256 T CB 0.128 68.991 68.868 -0.007 0.000 1.005 1256 T HN 1.415 nan 8.240 nan 0.000 0.532 1257 G N 0.019 108.807 108.800 -0.021 0.000 2.442 1257 G HA2 0.486 4.445 3.960 -0.001 0.000 0.296 1257 G HA3 0.486 4.445 3.960 -0.001 0.000 0.296 1257 G C -2.067 172.821 174.900 -0.020 0.000 1.564 1257 G CA -0.632 44.456 45.100 -0.021 0.000 0.828 1257 G HN 0.264 nan 8.290 nan 0.000 0.571 1258 V N 0.213 120.114 119.914 -0.022 0.000 2.789 1258 V HA 0.827 4.947 4.120 -0.001 0.000 0.311 1258 V C -0.349 175.741 176.094 -0.007 0.000 1.073 1258 V CA -0.707 61.585 62.300 -0.013 0.000 0.921 1258 V CB 1.978 33.785 31.823 -0.026 0.000 1.009 1258 V HN 0.961 nan 8.190 nan 0.000 0.426 1259 E N 3.144 123.347 120.200 0.005 0.000 2.331 1259 E HA 0.721 5.071 4.350 -0.001 0.000 0.275 1259 E C -1.516 175.095 176.600 0.018 0.000 0.895 1259 E CA -0.620 55.780 56.400 -0.001 0.000 0.753 1259 E CB 2.241 31.934 29.700 -0.011 0.000 1.216 1259 E HN 0.679 nan 8.360 nan 0.000 0.434 1260 M N 2.724 122.335 119.600 0.017 0.000 2.796 1260 M HA 0.338 4.817 4.480 -0.001 0.000 0.303 1260 M C 0.337 176.674 176.300 0.063 0.000 1.240 1260 M CA -0.760 54.574 55.300 0.055 0.000 0.831 1260 M CB 1.005 33.641 32.600 0.060 0.000 1.750 1260 M HN 0.708 nan 8.290 nan 0.000 0.484 1261 F N 0.762 120.700 119.950 -0.019 0.000 2.202 1261 F HA -0.101 4.426 4.527 -0.001 0.000 0.301 1261 F C 1.909 177.696 175.800 -0.021 0.000 1.082 1261 F CA 1.962 59.947 58.000 -0.025 0.000 1.313 1261 F CB 0.069 39.055 39.000 -0.023 0.000 1.024 1261 F HN 0.428 nan 8.300 nan 0.000 0.495 1262 R N -0.151 120.359 120.500 0.017 0.000 2.254 1262 R HA 0.151 4.490 4.340 -0.001 0.000 0.193 1262 R C -0.394 175.860 176.300 -0.077 0.000 0.929 1262 R CA 0.323 56.395 56.100 -0.048 0.000 1.038 1262 R CB 0.263 30.610 30.300 0.079 0.000 1.009 1262 R HN 0.177 nan 8.270 nan 0.000 0.512 1263 K N -0.025 120.343 120.400 -0.054 0.000 2.542 1263 K HA 0.268 4.587 4.320 -0.001 0.000 0.259 1263 K C -1.251 175.325 176.600 -0.041 0.000 0.932 1263 K CA -0.738 55.522 56.287 -0.045 0.000 0.820 1263 K CB 1.725 34.214 32.500 -0.018 0.000 1.345 1263 K HN -0.143 nan 8.250 nan 0.000 0.432 1264 L N 2.932 124.129 121.223 -0.044 0.000 2.371 1264 L HA 0.423 4.762 4.340 -0.001 0.000 0.272 1264 L C -0.434 176.421 176.870 -0.024 0.000 1.124 1264 L CA -0.620 54.199 54.840 -0.035 0.000 0.816 1264 L CB 0.640 42.676 42.059 -0.038 0.000 1.129 1264 L HN 0.472 nan 8.230 nan 0.000 0.448 1265 L N 1.814 123.024 121.223 -0.020 0.000 2.301 1265 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 1265 L C 0.181 177.037 176.870 -0.024 0.000 1.016 1265 L CA -0.775 54.054 54.840 -0.018 0.000 0.821 1265 L CB 1.783 43.835 42.059 -0.011 0.000 1.346 1265 L HN 0.512 nan 8.230 nan 0.000 0.429 1266 D N -0.004 120.381 120.400 -0.025 0.000 2.327 1266 D HA 0.016 4.655 4.640 -0.001 0.000 0.205 1266 D C 0.110 176.383 176.300 -0.044 0.000 0.989 1266 D CA 0.718 54.699 54.000 -0.032 0.000 0.873 1266 D CB 0.768 41.551 40.800 -0.028 0.000 0.955 1266 D HN 0.664 nan 8.370 nan 0.000 0.515 1267 E N -0.657 119.519 120.200 -0.041 0.000 2.413 1267 E HA 0.604 4.953 4.350 -0.001 0.000 0.277 1267 E C -0.759 175.817 176.600 -0.040 0.000 0.958 1267 E CA -1.202 55.163 56.400 -0.058 0.000 0.779 1267 E CB 1.870 31.539 29.700 -0.052 0.000 1.278 1267 E HN -0.110 nan 8.360 nan 0.000 0.456 1268 G N 1.271 110.038 108.800 -0.055 0.000 2.461 1268 G HA2 0.626 4.585 3.960 -0.001 0.000 0.323 1268 G HA3 0.626 4.585 3.960 -0.001 0.000 0.323 1268 G C -0.915 174.002 174.900 0.029 0.000 1.229 1268 G CA -0.927 44.173 45.100 -0.000 0.000 0.941 1268 G HN 0.432 nan 8.290 nan 0.000 0.477 1269 R N 1.263 121.798 120.500 0.058 0.000 2.803 1269 R HA 0.714 5.053 4.340 -0.001 0.000 0.276 1269 R C 0.063 176.418 176.300 0.092 0.000 0.978 1269 R CA -0.886 55.257 56.100 0.072 0.000 0.939 1269 R CB 1.905 32.230 30.300 0.042 0.000 1.179 1269 R HN 0.663 nan 8.270 nan 0.000 0.472 1270 A N 0.966 123.845 122.820 0.098 0.000 2.598 1270 A HA 0.303 4.622 4.320 -0.001 0.000 0.239 1270 A C 1.414 179.030 177.584 0.054 0.000 1.032 1270 A CA 1.307 53.390 52.037 0.078 0.000 0.760 1270 A CB -0.765 18.271 19.000 0.061 0.000 0.946 1270 A HN 1.075 nan 8.150 nan 0.000 0.512 1271 G N 1.517 110.345 108.800 0.048 0.000 2.258 1271 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.233 1271 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.233 1271 G C 0.089 175.014 174.900 0.041 0.000 1.006 1271 G CA 0.403 45.524 45.100 0.036 0.000 0.620 1271 G HN 0.906 nan 8.290 nan 0.000 0.511 1272 E N 1.032 121.264 120.200 0.053 0.000 2.289 1272 E HA 0.417 4.767 4.350 -0.001 0.000 0.278 1272 E C -0.389 176.248 176.600 0.062 0.000 1.032 1272 E CA -0.458 55.973 56.400 0.053 0.000 0.854 1272 E CB 0.506 30.238 29.700 0.053 0.000 1.046 1272 E HN 0.410 nan 8.360 nan 0.000 0.409 1273 N N 1.688 120.420 118.700 0.055 0.000 2.422 1273 N HA 0.236 4.976 4.740 -0.001 0.000 0.264 1273 N C -0.867 174.683 175.510 0.066 0.000 1.063 1273 N CA -0.238 52.848 53.050 0.060 0.000 0.959 1273 N CB 1.065 39.583 38.487 0.051 0.000 1.087 1273 N HN 0.248 nan 8.380 nan 0.000 0.483 1274 V N -1.197 118.763 119.914 0.077 0.000 3.188 1274 V HA 0.883 5.003 4.120 -0.001 0.000 0.305 1274 V C 0.085 176.229 176.094 0.082 0.000 1.232 1274 V CA -1.180 61.164 62.300 0.074 0.000 1.043 1274 V CB 1.455 33.322 31.823 0.073 0.000 1.068 1274 V HN 0.523 nan 8.190 nan 0.000 0.439 1275 G N 0.387 109.227 108.800 0.067 0.000 2.332 1275 G HA2 0.605 4.565 3.960 -0.001 0.000 0.310 1275 G HA3 0.605 4.565 3.960 -0.001 0.000 0.310 1275 G C -0.964 173.976 174.900 0.067 0.000 1.123 1275 G CA -0.645 44.498 45.100 0.072 0.000 0.873 1275 G HN 1.119 nan 8.290 nan 0.000 0.460 1276 V N 3.597 123.562 119.914 0.086 0.000 2.357 1276 V HA 0.277 4.396 4.120 -0.001 0.000 0.284 1276 V C -0.301 175.830 176.094 0.062 0.000 1.018 1276 V CA -0.768 61.572 62.300 0.067 0.000 0.841 1276 V CB 1.085 32.966 31.823 0.097 0.000 0.991 1276 V HN 0.525 nan 8.190 nan 0.000 0.437 1277 L N 6.417 127.661 121.223 0.036 0.000 2.349 1277 L HA 0.482 4.821 4.340 -0.001 0.000 0.275 1277 L C -0.086 176.799 176.870 0.025 0.000 1.115 1277 L CA 0.468 55.328 54.840 0.033 0.000 0.820 1277 L CB 0.569 42.638 42.059 0.017 0.000 1.135 1277 L HN 0.420 nan 8.230 nan 0.000 0.445 1278 L N 2.669 123.911 121.223 0.031 0.000 2.362 1278 L HA 0.603 4.943 4.340 -0.001 0.000 0.271 1278 L C -0.014 176.866 176.870 0.016 0.000 1.002 1278 L CA -0.937 53.917 54.840 0.023 0.000 0.818 1278 L CB 2.075 44.152 42.059 0.031 0.000 1.298 1278 L HN 0.538 nan 8.230 nan 0.000 0.420 1279 R N 0.718 121.223 120.500 0.009 0.000 2.357 1279 R HA 0.525 4.864 4.340 -0.001 0.000 0.296 1279 R C 0.949 177.253 176.300 0.006 0.000 1.052 1279 R CA 1.024 57.127 56.100 0.005 0.000 0.988 1279 R CB 1.027 31.328 30.300 0.001 0.000 1.025 1279 R HN 0.810 nan 8.270 nan 0.000 0.469 1280 G N 4.533 113.336 108.800 0.005 0.000 3.548 1280 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.224 1280 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.224 1280 G C 0.367 175.269 174.900 0.003 0.000 1.351 1280 G CA 0.200 45.302 45.100 0.003 0.000 0.905 1280 G HN 0.692 nan 8.290 nan 0.000 0.561 1281 I N 2.426 122.998 120.570 0.003 0.000 2.880 1281 I HA 0.223 4.392 4.170 -0.001 0.000 0.296 1281 I C 0.439 176.558 176.117 0.003 0.000 1.220 1281 I CA 0.043 61.344 61.300 0.001 0.000 1.435 1281 I CB 0.359 38.360 38.000 0.001 0.000 1.339 1281 I HN 0.176 nan 8.210 nan 0.000 0.583 1282 K N 7.305 127.703 120.400 -0.003 0.000 2.098 1282 K HA 0.200 4.519 4.320 -0.001 0.000 0.261 1282 K C 0.705 177.300 176.600 -0.008 0.000 0.987 1282 K CA -0.513 55.773 56.287 -0.003 0.000 0.916 1282 K CB 0.959 33.455 32.500 -0.006 0.000 1.039 1282 K HN 0.588 nan 8.250 nan 0.000 0.455 1283 R N 1.880 122.376 120.500 -0.007 0.000 2.091 1283 R HA -0.156 4.184 4.340 -0.001 0.000 0.238 1283 R C 1.096 177.373 176.300 -0.039 0.000 1.136 1283 R CA 1.785 57.872 56.100 -0.022 0.000 0.959 1283 R CB 0.182 30.471 30.300 -0.019 0.000 0.856 1283 R HN 0.631 nan 8.270 nan 0.000 0.437 1284 E N 0.389 120.570 120.200 -0.032 0.000 2.516 1284 E HA -0.152 4.197 4.350 -0.001 0.000 0.199 1284 E C 0.581 177.158 176.600 -0.039 0.000 1.069 1284 E CA 0.862 57.239 56.400 -0.037 0.000 0.876 1284 E CB -0.026 29.657 29.700 -0.028 0.000 0.843 1284 E HN 0.582 nan 8.360 nan 0.000 0.530 1285 E N 0.451 120.630 120.200 -0.035 0.000 2.474 1285 E HA 0.245 4.594 4.350 -0.001 0.000 0.194 1285 E C 0.380 176.953 176.600 -0.045 0.000 1.041 1285 E CA 0.040 56.418 56.400 -0.037 0.000 0.874 1285 E CB 0.489 30.172 29.700 -0.027 0.000 0.914 1285 E HN 0.257 nan 8.360 nan 0.000 0.498 1286 I N 1.366 121.907 120.570 -0.049 0.000 2.785 1286 I HA 0.284 4.453 4.170 -0.001 0.000 0.302 1286 I C -0.350 175.723 176.117 -0.073 0.000 1.069 1286 I CA -0.884 60.382 61.300 -0.056 0.000 1.045 1286 I CB 2.079 40.054 38.000 -0.042 0.000 1.236 1286 I HN -0.069 nan 8.210 nan 0.000 0.429 1287 E N 4.263 124.416 120.200 -0.078 0.000 2.412 1287 E HA 0.393 4.743 4.350 -0.001 0.000 0.279 1287 E C -1.078 175.476 176.600 -0.077 0.000 0.984 1287 E CA -1.158 55.191 56.400 -0.085 0.000 0.788 1287 E CB 1.836 31.483 29.700 -0.088 0.000 1.277 1287 E HN 0.494 nan 8.360 nan 0.000 0.455 1288 R N 0.114 120.571 120.500 -0.071 0.000 2.583 1288 R HA 0.195 4.535 4.340 -0.001 0.000 0.274 1288 R C 0.758 177.026 176.300 -0.053 0.000 0.998 1288 R CA 2.042 58.110 56.100 -0.053 0.000 1.081 1288 R CB -0.161 30.116 30.300 -0.039 0.000 0.940 1288 R HN 0.934 nan 8.270 nan 0.000 0.413 1289 G N 2.203 110.972 108.800 -0.051 0.000 2.259 1289 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 1289 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 1289 G C -0.063 174.801 174.900 -0.061 0.000 1.001 1289 G CA -0.049 45.019 45.100 -0.055 0.000 0.627 1289 G HN 0.611 nan 8.290 nan 0.000 0.501 1290 Q N 0.335 120.093 119.800 -0.069 0.000 2.382 1290 Q HA 0.568 4.907 4.340 -0.001 0.000 0.229 1290 Q C 0.459 176.422 176.000 -0.061 0.000 1.006 1290 Q CA 0.151 55.910 55.803 -0.074 0.000 0.916 1290 Q CB 2.162 30.855 28.738 -0.074 0.000 1.235 1290 Q HN 0.937 nan 8.270 nan 0.000 0.512 1291 V N -1.561 118.312 119.914 -0.068 0.000 2.919 1291 V HA 0.565 4.684 4.120 -0.001 0.000 0.316 1291 V C -0.692 175.364 176.094 -0.062 0.000 1.077 1291 V CA -1.100 61.154 62.300 -0.076 0.000 0.977 1291 V CB 1.446 33.208 31.823 -0.102 0.000 1.039 1291 V HN 0.608 nan 8.190 nan 0.000 0.441 1292 L N 3.112 124.293 121.223 -0.070 0.000 2.292 1292 L HA 0.847 5.186 4.340 -0.001 0.000 0.284 1292 L C 0.278 177.067 176.870 -0.135 0.000 1.065 1292 L CA -0.116 54.721 54.840 -0.005 0.000 0.806 1292 L CB 1.331 43.478 42.059 0.145 0.000 1.175 1292 L HN 1.109 nan 8.230 nan 0.000 0.431 1293 A N 4.161 126.984 122.820 0.006 0.000 2.587 1293 A HA 0.411 4.730 4.320 -0.001 0.000 0.293 1293 A C -0.947 176.739 177.584 0.170 0.000 1.087 1293 A CA -0.775 51.252 52.037 -0.017 0.000 0.692 1293 A CB 1.640 20.604 19.000 -0.059 0.000 1.291 1293 A HN 0.634 nan 8.150 nan 0.000 0.407 1294 K N 1.210 121.734 120.400 0.206 0.000 2.451 1294 K HA 0.215 4.534 4.320 -0.001 0.000 0.280 1294 K C -2.389 174.259 176.600 0.081 0.000 1.020 1294 K CA -1.230 55.157 56.287 0.166 0.000 1.008 1294 K CB 0.159 32.747 32.500 0.146 0.000 0.917 1294 K HN 0.289 nan 8.250 nan 0.000 0.478 1295 P HA -0.056 nan 4.420 nan 0.000 0.262 1295 P C 0.318 177.631 177.300 0.022 0.000 1.182 1295 P CA 0.919 64.038 63.100 0.032 0.000 0.761 1295 P CB 0.577 32.292 31.700 0.025 0.000 0.795 1296 G N 2.593 111.398 108.800 0.009 0.000 2.225 1296 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.254 1296 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.254 1296 G C 1.069 175.973 174.900 0.007 0.000 0.988 1296 G CA 0.671 45.774 45.100 0.005 0.000 0.625 1296 G HN 0.600 nan 8.290 nan 0.000 0.527 1297 T N -1.927 112.634 114.554 0.012 0.000 3.067 1297 T HA 0.567 4.916 4.350 -0.001 0.000 0.261 1297 T C 0.969 175.671 174.700 0.003 0.000 1.110 1297 T CA 1.157 63.265 62.100 0.013 0.000 1.113 1297 T CB 0.624 69.505 68.868 0.022 0.000 0.917 1297 T HN 1.014 nan 8.240 nan 0.000 0.499 1298 I N 0.187 120.750 120.570 -0.011 0.000 2.802 1298 I HA 0.504 4.674 4.170 -0.001 0.000 0.298 1298 I C -1.642 174.446 176.117 -0.048 0.000 1.176 1298 I CA -1.154 60.134 61.300 -0.021 0.000 1.025 1298 I CB 2.019 39.996 38.000 -0.037 0.000 1.243 1298 I HN -0.161 nan 8.210 nan 0.000 0.424 1299 K N 6.790 127.154 120.400 -0.060 0.000 2.328 1299 K HA 0.625 4.945 4.320 -0.001 0.000 0.246 1299 K C -2.732 173.666 176.600 -0.338 0.000 0.955 1299 K CA -1.876 54.299 56.287 -0.187 0.000 0.817 1299 K CB 2.004 34.387 32.500 -0.196 0.000 1.208 1299 K HN 0.283 nan 8.250 nan 0.000 0.432 1300 P HA 0.365 nan 4.420 nan 0.000 0.288 1300 P C -0.922 176.026 177.300 -0.587 0.000 1.267 1300 P CA -0.204 62.675 63.100 -0.369 0.000 0.815 1300 P CB 1.161 32.726 31.700 -0.225 0.000 0.989 1301 H N 0.703 119.713 119.070 -0.100 0.000 2.980 1301 H HA 0.328 4.883 4.556 -0.001 0.000 0.367 1301 H C 0.423 175.710 175.328 -0.069 0.000 1.206 1301 H CA -0.418 55.590 56.048 -0.066 0.000 1.126 1301 H CB 2.088 31.823 29.762 -0.045 0.000 1.838 1301 H HN 0.285 nan 8.280 nan 0.000 0.552 1302 T N -0.514 114.096 114.554 0.094 0.000 2.978 1302 T HA 0.126 4.475 4.350 -0.001 0.000 0.248 1302 T C 0.666 175.358 174.700 -0.013 0.000 1.018 1302 T CA 0.049 62.154 62.100 0.008 0.000 1.026 1302 T CB 1.314 70.169 68.868 -0.022 0.000 1.032 1302 T HN 0.260 nan 8.240 nan 0.000 0.485 1303 K N 1.043 121.462 120.400 0.032 0.000 2.443 1303 K HA 0.583 4.903 4.320 -0.001 0.000 0.252 1303 K C -1.886 174.720 176.600 0.010 0.000 0.933 1303 K CA -1.090 55.136 56.287 -0.101 0.000 0.792 1303 K CB 1.451 33.896 32.500 -0.092 0.000 1.185 1303 K HN 0.241 nan 8.250 nan 0.000 0.425 1304 F N -0.263 119.617 119.950 -0.117 0.000 2.668 1304 F HA 0.458 4.984 4.527 -0.001 0.000 0.309 1304 F C -0.968 174.805 175.800 -0.044 0.000 1.117 1304 F CA -1.128 56.817 58.000 -0.091 0.000 0.951 1304 F CB 1.057 40.000 39.000 -0.094 0.000 1.323 1304 F HN 0.327 nan 8.300 nan 0.000 0.451 1305 E N 1.480 121.793 120.200 0.189 0.000 2.266 1305 E HA 0.568 4.917 4.350 -0.001 0.000 0.277 1305 E C -0.825 175.978 176.600 0.338 0.000 1.018 1305 E CA -0.691 55.803 56.400 0.156 0.000 0.840 1305 E CB 1.807 31.570 29.700 0.106 0.000 1.082 1305 E HN 0.757 nan 8.360 nan 0.000 0.395 1306 S N 2.070 117.960 115.700 0.318 0.000 2.595 1306 S HA 0.416 4.886 4.470 -0.001 0.000 0.281 1306 S C -0.768 173.999 174.600 0.278 0.000 1.117 1306 S CA -1.132 57.321 58.200 0.421 0.000 0.873 1306 S CB 1.934 65.572 63.200 0.731 0.000 1.108 1306 S HN 0.309 nan 8.310 nan 0.000 0.477 1307 E N 1.139 121.476 120.200 0.229 0.000 2.133 1307 E HA 0.566 4.915 4.350 -0.001 0.000 0.274 1307 E C -1.153 175.528 176.600 0.136 0.000 0.930 1307 E CA -0.572 55.921 56.400 0.155 0.000 0.770 1307 E CB 1.875 31.636 29.700 0.102 0.000 1.104 1307 E HN 0.491 nan 8.360 nan 0.000 0.403 1308 V N 3.887 123.896 119.914 0.157 0.000 2.604 1308 V HA 0.258 4.377 4.120 -0.001 0.000 0.305 1308 V C -0.987 175.199 176.094 0.153 0.000 1.043 1308 V CA -0.946 61.440 62.300 0.144 0.000 0.888 1308 V CB 1.616 33.583 31.823 0.240 0.000 0.995 1308 V HN 0.568 nan 8.190 nan 0.000 0.429 1309 Y N 5.569 125.865 120.300 -0.006 0.000 2.341 1309 Y HA 0.635 5.184 4.550 -0.001 0.000 0.337 1309 Y C -0.517 175.392 175.900 0.015 0.000 1.014 1309 Y CA -1.190 56.907 58.100 -0.005 0.000 1.111 1309 Y CB 1.205 39.639 38.460 -0.043 0.000 1.194 1309 Y HN 0.418 nan 8.280 nan 0.000 0.462 1310 I N 7.729 127.861 120.570 -0.731 0.000 2.321 1310 I HA 0.198 4.368 4.170 -0.001 0.000 0.291 1310 I C -0.072 175.491 176.117 -0.922 0.000 0.998 1310 I CA -0.727 60.237 61.300 -0.559 0.000 1.227 1310 I CB 0.884 38.742 38.000 -0.237 0.000 1.368 1310 I HN 0.631 nan 8.210 nan 0.000 0.466 1311 L N 4.917 125.830 121.223 -0.518 0.000 2.506 1311 L HA 0.033 4.372 4.340 -0.001 0.000 0.281 1311 L C 1.221 177.979 176.870 -0.188 0.000 1.228 1311 L CA 0.126 54.799 54.840 -0.278 0.000 0.850 1311 L CB 0.283 42.307 42.059 -0.058 0.000 1.110 1311 L HN 0.760 nan 8.230 nan 0.000 0.496 1312 S N 2.101 117.768 115.700 -0.054 0.000 2.624 1312 S HA 0.099 4.568 4.470 -0.001 0.000 0.263 1312 S C 0.933 175.531 174.600 -0.003 0.000 1.287 1312 S CA -0.517 57.671 58.200 -0.020 0.000 0.990 1312 S CB 1.408 64.632 63.200 0.039 0.000 0.950 1312 S HN 0.735 nan 8.310 nan 0.000 0.561 1313 K N 0.535 120.939 120.400 0.006 0.000 2.032 1313 K HA -0.192 4.127 4.320 -0.001 0.000 0.209 1313 K C 1.165 177.780 176.600 0.026 0.000 1.048 1313 K CA 2.121 58.426 56.287 0.030 0.000 0.927 1313 K CB -0.568 31.960 32.500 0.046 0.000 0.712 1313 K HN 0.730 nan 8.250 nan 0.000 0.441 1314 D N 0.741 121.156 120.400 0.024 0.000 2.218 1314 D HA -0.139 4.501 4.640 -0.001 0.000 0.204 1314 D C 1.075 177.391 176.300 0.026 0.000 0.976 1314 D CA 1.064 55.078 54.000 0.023 0.000 0.853 1314 D CB -0.041 40.773 40.800 0.023 0.000 0.939 1314 D HN 0.456 nan 8.370 nan 0.000 0.481 1315 E N -0.109 120.112 120.200 0.036 0.000 2.512 1315 E HA 0.163 4.513 4.350 -0.001 0.000 0.195 1315 E C 1.000 177.616 176.600 0.027 0.000 1.083 1315 E CA 0.126 56.551 56.400 0.042 0.000 0.873 1315 E CB 0.085 29.833 29.700 0.081 0.000 0.897 1315 E HN 0.289 nan 8.360 nan 0.000 0.514 1316 G N 0.554 109.367 108.800 0.021 0.000 2.136 1316 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.242 1316 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.242 1316 G C 0.424 175.331 174.900 0.011 0.000 0.989 1316 G CA -0.135 44.974 45.100 0.015 0.000 0.682 1316 G HN 0.498 nan 8.290 nan 0.000 0.522 1317 G N -0.872 107.932 108.800 0.007 0.000 2.736 1317 G HA2 0.652 4.612 3.960 -0.001 0.000 0.229 1317 G HA3 0.652 4.612 3.960 -0.001 0.000 0.229 1317 G C 0.426 175.326 174.900 0.001 0.000 1.380 1317 G CA -0.731 44.363 45.100 -0.010 0.000 1.040 1317 G HN 0.509 nan 8.290 nan 0.000 0.568 1318 R N -0.981 119.500 120.500 -0.032 0.000 2.811 1318 R HA 0.160 4.499 4.340 -0.001 0.000 0.265 1318 R C 0.947 177.227 176.300 -0.033 0.000 1.026 1318 R CA 0.800 56.860 56.100 -0.068 0.000 1.142 1318 R CB 0.179 30.408 30.300 -0.118 0.000 1.027 1318 R HN 0.885 nan 8.270 nan 0.000 0.465 1319 H N -2.631 116.409 119.070 -0.050 0.000 2.885 1319 H HA 0.172 4.728 4.556 -0.001 0.000 0.260 1319 H C -0.076 175.201 175.328 -0.084 0.000 0.985 1319 H CA -0.092 55.921 56.048 -0.059 0.000 1.210 1319 H CB 0.465 30.205 29.762 -0.037 0.000 1.466 1319 H HN 0.514 nan 8.280 nan 0.000 0.493 1320 T N -0.314 113.986 114.554 -0.424 0.000 2.945 1320 T HA 0.472 4.821 4.350 -0.001 0.000 0.286 1320 T C -2.700 171.826 174.700 -0.289 0.000 1.025 1320 T CA -2.241 59.690 62.100 -0.282 0.000 1.039 1320 T CB 2.557 71.266 68.868 -0.264 0.000 1.068 1320 T HN -0.003 nan 8.240 nan 0.000 0.497 1321 P HA 0.393 nan 4.420 nan 0.000 0.274 1321 P C -0.902 176.034 177.300 -0.607 0.000 1.256 1321 P CA -0.533 62.222 63.100 -0.575 0.000 0.795 1321 P CB 0.372 31.644 31.700 -0.714 0.000 1.038 1322 F N -1.642 117.806 119.950 -0.838 0.000 2.654 1322 F HA 0.786 5.313 4.527 -0.001 0.000 0.334 1322 F C -0.753 174.451 175.800 -0.995 0.000 1.078 1322 F CA -1.137 56.402 58.000 -0.767 0.000 0.986 1322 F CB 0.619 39.135 39.000 -0.806 0.000 1.362 1322 F HN 0.124 nan 8.300 nan 0.000 0.498 1323 F N -0.685 119.375 119.950 0.183 0.000 3.012 1323 F HA 0.429 4.955 4.527 -0.001 0.000 0.346 1323 F C 1.437 177.366 175.800 0.215 0.000 1.239 1323 F CA -0.905 57.147 58.000 0.087 0.000 1.028 1323 F CB 0.730 39.705 39.000 -0.042 0.000 1.497 1323 F HN 0.509 nan 8.300 nan 0.000 0.521 1324 K N 0.305 120.912 120.400 0.344 0.000 2.044 1324 K HA -0.076 4.243 4.320 -0.001 0.000 0.210 1324 K C 1.308 178.039 176.600 0.219 0.000 1.049 1324 K CA 1.800 58.228 56.287 0.235 0.000 0.927 1324 K CB -0.968 31.624 32.500 0.154 0.000 0.713 1324 K HN 0.695 nan 8.250 nan 0.000 0.443 1325 G N 1.020 109.941 108.800 0.201 0.000 3.496 1325 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.273 1325 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.273 1325 G C -0.689 174.308 174.900 0.162 0.000 1.279 1325 G CA -0.591 44.597 45.100 0.147 0.000 1.041 1325 G HN 0.289 nan 8.290 nan 0.000 0.539 1326 Y N 2.338 122.660 120.300 0.037 0.000 2.620 1326 Y HA 0.205 4.754 4.550 -0.001 0.000 0.330 1326 Y C 0.937 176.766 175.900 -0.119 0.000 1.186 1326 Y CA -1.121 56.909 58.100 -0.118 0.000 1.467 1326 Y CB 0.493 38.691 38.460 -0.438 0.000 1.262 1326 Y HN 0.386 nan 8.280 nan 0.000 0.550 1327 R N 7.837 128.070 120.500 -0.445 0.000 2.629 1327 R HA 0.467 4.806 4.340 -0.001 0.000 0.275 1327 R C -3.159 172.821 176.300 -0.534 0.000 1.719 1327 R CA -1.528 54.331 56.100 -0.401 0.000 1.472 1327 R CB 0.848 31.058 30.300 -0.149 0.000 1.237 1327 R HN 0.391 nan 8.270 nan 0.000 0.589 1328 P HA 0.263 nan 4.420 nan 0.000 0.310 1328 P C -0.914 176.098 177.300 -0.479 0.000 1.309 1328 P CA -0.570 62.103 63.100 -0.712 0.000 0.769 1328 P CB 0.893 31.981 31.700 -1.019 0.000 1.327 1329 Q N -0.461 119.104 119.800 -0.391 0.000 2.241 1329 Q HA 0.425 4.764 4.340 -0.001 0.000 0.254 1329 Q C -0.906 174.892 176.000 -0.336 0.000 0.917 1329 Q CA -0.106 55.577 55.803 -0.200 0.000 0.919 1329 Q CB 0.624 29.324 28.738 -0.063 0.000 1.237 1329 Q HN 0.353 nan 8.270 nan 0.000 0.434 1330 F N 1.731 121.695 119.950 0.024 0.000 2.388 1330 F HA 0.223 4.749 4.527 -0.001 0.000 0.358 1330 F C -0.175 175.641 175.800 0.026 0.000 1.122 1330 F CA -0.947 57.065 58.000 0.020 0.000 1.056 1330 F CB 0.719 39.719 39.000 -0.000 0.000 1.155 1330 F HN 0.398 nan 8.300 nan 0.000 0.461 1331 Y N 4.258 124.553 120.300 -0.008 0.000 2.425 1331 Y HA 0.448 4.998 4.550 -0.001 0.000 0.347 1331 Y C -1.246 174.566 175.900 -0.146 0.000 0.976 1331 Y CA -0.805 57.291 58.100 -0.005 0.000 1.190 1331 Y CB 0.221 38.680 38.460 -0.003 0.000 1.136 1331 Y HN 0.432 nan 8.280 nan 0.000 0.517 1332 F N 6.860 126.718 119.950 -0.153 0.000 2.325 1332 F HA 0.435 4.962 4.527 -0.001 0.000 0.369 1332 F C 0.740 176.412 175.800 -0.212 0.000 1.095 1332 F CA -0.669 57.283 58.000 -0.080 0.000 1.082 1332 F CB 0.995 39.948 39.000 -0.079 0.000 1.289 1332 F HN 0.673 nan 8.300 nan 0.000 0.462 1333 R N -0.275 120.265 120.500 0.068 0.000 1.247 1333 R HA -0.272 4.068 4.340 -0.001 0.000 0.031 1333 R C 1.261 177.571 176.300 0.017 0.000 0.958 1333 R CA 2.251 58.392 56.100 0.068 0.000 1.979 1333 R CB -1.592 28.738 30.300 0.050 0.000 0.185 1333 R HN 0.656 nan 8.270 nan 0.000 0.728 1334 T N -4.051 110.370 114.554 -0.222 0.000 3.130 1334 T HA 0.245 4.595 4.350 -0.001 0.000 0.288 1334 T C 0.117 174.627 174.700 -0.318 0.000 0.936 1334 T CA 0.567 62.587 62.100 -0.134 0.000 0.897 1334 T CB 1.362 70.215 68.868 -0.026 0.000 1.178 1334 T HN 0.332 nan 8.240 nan 0.000 0.543 1335 T N 1.167 115.292 114.554 -0.716 0.000 2.932 1335 T HA 0.422 4.772 4.350 -0.001 0.000 0.318 1335 T C -2.136 172.345 174.700 -0.365 0.000 1.265 1335 T CA -0.490 61.381 62.100 -0.381 0.000 1.036 1335 T CB 1.768 70.574 68.868 -0.104 0.000 1.209 1335 T HN 0.029 nan 8.240 nan 0.000 0.484 1336 D N 2.084 122.479 120.400 -0.009 0.000 2.350 1336 D HA 0.466 5.105 4.640 -0.001 0.000 0.249 1336 D C -0.327 176.039 176.300 0.110 0.000 1.119 1336 D CA 0.222 54.296 54.000 0.123 0.000 0.886 1336 D CB 1.421 42.315 40.800 0.157 0.000 1.195 1336 D HN 0.297 nan 8.370 nan 0.000 0.437 1337 V N 2.198 122.208 119.914 0.161 0.000 2.588 1337 V HA 0.259 4.379 4.120 -0.001 0.000 0.304 1337 V C 0.442 176.613 176.094 0.127 0.000 1.042 1337 V CA -0.864 61.484 62.300 0.080 0.000 0.877 1337 V CB 2.110 33.960 31.823 0.046 0.000 0.996 1337 V HN 0.449 nan 8.190 nan 0.000 0.425 1338 T N 3.586 118.147 114.554 0.011 0.000 2.884 1338 T HA 0.591 4.940 4.350 -0.001 0.000 0.298 1338 T C 0.441 175.179 174.700 0.063 0.000 0.998 1338 T CA 0.319 62.447 62.100 0.048 0.000 1.124 1338 T CB 1.112 69.968 68.868 -0.021 0.000 0.931 1338 T HN 1.091 nan 8.240 nan 0.000 0.531 1339 G N 1.313 110.234 108.800 0.201 0.000 2.695 1339 G HA2 0.684 4.643 3.960 -0.001 0.000 0.290 1339 G HA3 0.684 4.643 3.960 -0.001 0.000 0.290 1339 G C -0.688 174.258 174.900 0.077 0.000 1.410 1339 G CA -0.843 44.288 45.100 0.052 0.000 0.844 1339 G HN 0.790 nan 8.290 nan 0.000 0.478 1340 T N -1.416 113.103 114.554 -0.057 0.000 2.918 1340 T HA 0.725 5.075 4.350 -0.001 0.000 0.286 1340 T C 0.168 174.829 174.700 -0.064 0.000 1.026 1340 T CA -0.743 61.335 62.100 -0.036 0.000 1.031 1340 T CB 1.671 70.513 68.868 -0.044 0.000 1.046 1340 T HN 1.053 nan 8.240 nan 0.000 0.479 1341 I N -1.166 119.412 120.570 0.013 0.000 2.693 1341 I HA 0.710 4.879 4.170 -0.001 0.000 0.303 1341 I C -0.994 175.148 176.117 0.041 0.000 1.025 1341 I CA -1.080 60.239 61.300 0.031 0.000 1.086 1341 I CB 2.244 40.342 38.000 0.164 0.000 1.268 1341 I HN 0.700 nan 8.210 nan 0.000 0.440 1342 E N 5.510 125.722 120.200 0.021 0.000 2.158 1342 E HA 0.520 4.869 4.350 -0.001 0.000 0.271 1342 E C -1.072 175.572 176.600 0.073 0.000 0.911 1342 E CA -0.743 55.681 56.400 0.041 0.000 0.767 1342 E CB 2.733 32.436 29.700 0.006 0.000 1.120 1342 E HN 0.516 nan 8.360 nan 0.000 0.405 1343 L N 3.809 125.091 121.223 0.098 0.000 2.418 1343 L HA 0.370 4.709 4.340 -0.001 0.000 0.265 1343 L C -1.935 174.977 176.870 0.071 0.000 1.143 1343 L CA -2.020 52.882 54.840 0.103 0.000 0.809 1343 L CB 0.068 42.198 42.059 0.118 0.000 1.124 1343 L HN 0.292 nan 8.230 nan 0.000 0.456 1344 P HA 0.007 nan 4.420 nan 0.000 0.269 1344 P C -0.573 176.752 177.300 0.042 0.000 1.215 1344 P CA -0.364 62.763 63.100 0.046 0.000 0.780 1344 P CB 0.351 32.075 31.700 0.040 0.000 0.898 1345 E N 1.007 121.228 120.200 0.036 0.000 2.585 1345 E HA 0.066 4.416 4.350 -0.001 0.000 0.252 1345 E C 1.318 177.938 176.600 0.033 0.000 0.981 1345 E CA 1.669 58.090 56.400 0.035 0.000 0.943 1345 E CB -0.164 29.552 29.700 0.028 0.000 0.923 1345 E HN 0.810 nan 8.360 nan 0.000 0.486 1346 G N 2.391 111.217 108.800 0.043 0.000 2.217 1346 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.246 1346 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.246 1346 G C 0.288 175.220 174.900 0.055 0.000 0.990 1346 G CA 0.131 45.258 45.100 0.045 0.000 0.627 1346 G HN 0.455 nan 8.290 nan 0.000 0.522 1347 V N 0.943 120.886 119.914 0.049 0.000 2.498 1347 V HA 0.519 4.638 4.120 -0.001 0.000 0.279 1347 V C 0.981 177.133 176.094 0.097 0.000 1.048 1347 V CA 0.579 62.911 62.300 0.053 0.000 0.967 1347 V CB 1.455 33.287 31.823 0.015 0.000 0.988 1347 V HN 0.447 nan 8.190 nan 0.000 0.473 1348 E N 3.211 123.499 120.200 0.147 0.000 2.474 1348 E HA 0.295 4.644 4.350 -0.001 0.000 0.215 1348 E C 0.112 176.828 176.600 0.194 0.000 0.867 1348 E CA -0.023 56.484 56.400 0.179 0.000 1.135 1348 E CB 1.278 31.097 29.700 0.198 0.000 1.147 1348 E HN 0.655 nan 8.360 nan 0.000 0.534 1349 M N 1.642 121.304 119.600 0.104 0.000 2.457 1349 M HA 0.374 4.854 4.480 -0.001 0.000 0.300 1349 M C -1.878 174.282 176.300 -0.234 0.000 1.141 1349 M CA -0.747 54.437 55.300 -0.194 0.000 0.901 1349 M CB 2.310 34.837 32.600 -0.121 0.000 1.687 1349 M HN -0.268 nan 8.290 nan 0.000 0.449 1350 V N 5.406 124.880 119.914 -0.734 0.000 2.448 1350 V HA 0.490 4.610 4.120 -0.001 0.000 0.295 1350 V C -0.303 175.327 176.094 -0.772 0.000 1.025 1350 V CA -0.527 61.316 62.300 -0.761 0.000 0.859 1350 V CB 1.698 32.718 31.823 -1.339 0.000 0.988 1350 V HN 0.961 nan 8.190 nan 0.000 0.431 1351 M N 5.908 125.268 119.600 -0.400 0.000 2.444 1351 M HA 0.490 4.970 4.480 -0.001 0.000 0.319 1351 M C -2.496 173.633 176.300 -0.285 0.000 1.183 1351 M CA -1.796 53.279 55.300 -0.375 0.000 1.032 1351 M CB 1.815 34.214 32.600 -0.337 0.000 1.569 1351 M HN 0.336 nan 8.290 nan 0.000 0.468 1352 P HA 0.092 nan 4.420 nan 0.000 0.265 1352 P C 0.450 177.659 177.300 -0.151 0.000 1.193 1352 P CA 0.800 63.788 63.100 -0.187 0.000 0.765 1352 P CB 0.419 32.042 31.700 -0.129 0.000 0.823 1353 G N 1.414 110.087 108.800 -0.211 0.000 2.175 1353 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.244 1353 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.244 1353 G C -0.156 174.748 174.900 0.007 0.000 0.982 1353 G CA -0.359 44.695 45.100 -0.078 0.000 0.641 1353 G HN 0.490 nan 8.290 nan 0.000 0.527 1354 D N 0.894 121.232 120.400 -0.104 0.000 2.255 1354 D HA 0.460 5.099 4.640 -0.001 0.000 0.249 1354 D C 0.306 176.638 176.300 0.054 0.000 1.078 1354 D CA -0.309 53.688 54.000 -0.004 0.000 0.896 1354 D CB 0.560 41.337 40.800 -0.038 0.000 1.194 1354 D HN 0.127 nan 8.370 nan 0.000 0.429 1355 N N 1.434 120.212 118.700 0.130 0.000 2.455 1355 N HA 0.498 5.237 4.740 -0.001 0.000 0.280 1355 N C -0.435 175.122 175.510 0.080 0.000 1.055 1355 N CA -0.259 52.881 53.050 0.150 0.000 0.961 1355 N CB 1.437 40.007 38.487 0.138 0.000 1.121 1355 N HN 0.424 nan 8.380 nan 0.000 0.476 1356 I N 0.190 120.817 120.570 0.095 0.000 2.842 1356 I HA 0.242 4.411 4.170 -0.001 0.000 0.297 1356 I C -1.216 174.974 176.117 0.121 0.000 1.380 1356 I CA -0.785 60.565 61.300 0.083 0.000 1.018 1356 I CB 1.846 39.884 38.000 0.063 0.000 1.311 1356 I HN 0.254 nan 8.210 nan 0.000 0.439 1357 K N 7.871 128.336 120.400 0.109 0.000 2.201 1357 K HA 0.597 4.917 4.320 -0.001 0.000 0.278 1357 K C -0.852 175.829 176.600 0.136 0.000 1.027 1357 K CA -0.478 55.885 56.287 0.127 0.000 0.909 1357 K CB 1.435 33.995 32.500 0.101 0.000 1.062 1357 K HN 0.537 nan 8.250 nan 0.000 0.465 1358 M N -0.471 119.227 119.600 0.164 0.000 2.518 1358 M HA 0.414 4.893 4.480 -0.001 0.000 0.300 1358 M C -0.945 175.388 176.300 0.054 0.000 1.175 1358 M CA -1.267 54.113 55.300 0.133 0.000 0.890 1358 M CB 1.790 34.509 32.600 0.199 0.000 1.710 1358 M HN 0.049 nan 8.290 nan 0.000 0.453 1359 V N 3.210 123.112 119.914 -0.020 0.000 2.364 1359 V HA 0.381 4.500 4.120 -0.001 0.000 0.272 1359 V C -0.111 175.813 176.094 -0.283 0.000 1.036 1359 V CA -0.553 61.664 62.300 -0.139 0.000 0.880 1359 V CB 1.185 32.955 31.823 -0.088 0.000 0.991 1359 V HN 0.710 nan 8.190 nan 0.000 0.460 1360 V N 4.443 123.975 119.914 -0.637 0.000 2.532 1360 V HA 0.520 4.639 4.120 -0.001 0.000 0.295 1360 V C 0.318 175.935 176.094 -0.795 0.000 1.041 1360 V CA -0.277 61.510 62.300 -0.856 0.000 0.926 1360 V CB 2.148 33.069 31.823 -1.504 0.000 0.992 1360 V HN 0.909 nan 8.190 nan 0.000 0.457 1361 T N 5.889 120.132 114.554 -0.519 0.000 2.847 1361 T HA 0.572 4.921 4.350 -0.001 0.000 0.291 1361 T C -0.406 174.114 174.700 -0.300 0.000 0.998 1361 T CA -0.333 61.558 62.100 -0.347 0.000 0.967 1361 T CB 0.794 69.538 68.868 -0.206 0.000 0.954 1361 T HN 0.327 nan 8.240 nan 0.000 0.441 1362 L N 3.439 124.508 121.223 -0.256 0.000 2.379 1362 L HA 0.479 4.819 4.340 -0.001 0.000 0.269 1362 L C 1.729 178.492 176.870 -0.178 0.000 1.084 1362 L CA -0.862 53.847 54.840 -0.218 0.000 0.802 1362 L CB 0.878 42.821 42.059 -0.194 0.000 1.175 1362 L HN 0.647 nan 8.230 nan 0.000 0.448 1363 I N 0.190 120.635 120.570 -0.210 0.000 2.361 1363 I HA -0.191 3.978 4.170 -0.001 0.000 0.251 1363 I C 0.535 176.580 176.117 -0.121 0.000 1.133 1363 I CA 0.972 62.172 61.300 -0.168 0.000 1.413 1363 I CB -0.437 37.464 38.000 -0.164 0.000 1.073 1363 I HN 0.732 nan 8.210 nan 0.000 0.424 1364 H N -2.120 116.922 119.070 -0.047 0.000 2.977 1364 H HA 0.573 5.128 4.556 -0.001 0.000 0.350 1364 H C -2.986 172.290 175.328 -0.087 0.000 1.238 1364 H CA -2.842 53.170 56.048 -0.060 0.000 1.124 1364 H CB -0.017 29.713 29.762 -0.053 0.000 1.866 1364 H HN -0.319 nan 8.280 nan 0.000 0.550 1365 P HA 0.254 nan 4.420 nan 0.000 0.274 1365 P C -0.544 176.751 177.300 -0.009 0.000 1.237 1365 P CA -0.312 62.792 63.100 0.008 0.000 0.793 1365 P CB 0.758 32.430 31.700 -0.047 0.000 0.977 1366 I N 0.091 120.574 120.570 -0.146 0.000 2.656 1366 I HA 0.317 4.487 4.170 -0.001 0.000 0.292 1366 I C -0.149 175.823 176.117 -0.242 0.000 1.144 1366 I CA -1.136 60.021 61.300 -0.239 0.000 1.038 1366 I CB 1.792 39.476 38.000 -0.527 0.000 1.244 1366 I HN 0.345 nan 8.210 nan 0.000 0.420 1367 A N 8.364 131.072 122.820 -0.186 0.000 2.522 1367 A HA 0.516 4.836 4.320 -0.001 0.000 0.256 1367 A C 0.030 177.531 177.584 -0.137 0.000 1.086 1367 A CA 0.323 52.274 52.037 -0.143 0.000 0.763 1367 A CB -0.071 18.863 19.000 -0.110 0.000 1.024 1367 A HN 0.751 nan 8.150 nan 0.000 0.502 1368 M N 1.552 121.114 119.600 -0.063 0.000 2.643 1368 M HA 0.725 5.205 4.480 -0.001 0.000 0.276 1368 M C -1.656 174.664 176.300 0.034 0.000 1.200 1368 M CA -0.765 54.504 55.300 -0.053 0.000 0.863 1368 M CB 2.107 34.584 32.600 -0.205 0.000 1.711 1368 M HN 0.609 nan 8.290 nan 0.000 0.492 1369 D N -1.355 119.044 120.400 -0.002 0.000 2.610 1369 D HA 0.493 5.132 4.640 -0.001 0.000 0.271 1369 D C -1.600 174.689 176.300 -0.017 0.000 1.174 1369 D CA -0.723 53.274 54.000 -0.005 0.000 0.949 1369 D CB 0.960 41.771 40.800 0.018 0.000 1.430 1369 D HN 0.571 nan 8.370 nan 0.000 0.467 1370 D N -0.582 119.809 120.400 -0.015 0.000 2.533 1370 D HA 0.363 5.002 4.640 -0.001 0.000 0.236 1370 D C 1.479 177.792 176.300 0.021 0.000 1.137 1370 D CA 1.972 55.974 54.000 0.005 0.000 0.867 1370 D CB 0.824 41.628 40.800 0.007 0.000 1.170 1370 D HN 0.882 nan 8.370 nan 0.000 0.474 1371 G N 1.501 110.323 108.800 0.037 0.000 2.213 1371 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.226 1371 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.226 1371 G C 0.277 175.205 174.900 0.047 0.000 0.992 1371 G CA -0.251 44.873 45.100 0.039 0.000 0.632 1371 G HN 0.520 nan 8.290 nan 0.000 0.511 1372 L N 2.109 123.370 121.223 0.064 0.000 2.462 1372 L HA 0.390 4.730 4.340 -0.001 0.000 0.272 1372 L C 0.727 177.684 176.870 0.146 0.000 1.166 1372 L CA 0.271 55.174 54.840 0.104 0.000 0.880 1372 L CB 0.220 42.354 42.059 0.125 0.000 1.142 1372 L HN 0.285 nan 8.230 nan 0.000 0.473 1373 R N 5.461 126.016 120.500 0.092 0.000 2.457 1373 R HA 0.536 4.875 4.340 -0.001 0.000 0.284 1373 R C -0.827 175.508 176.300 0.058 0.000 1.024 1373 R CA -0.318 55.787 56.100 0.008 0.000 1.025 1373 R CB 1.271 31.545 30.300 -0.042 0.000 1.063 1373 R HN 0.554 nan 8.270 nan 0.000 0.493 1374 F N -1.014 118.865 119.950 -0.118 0.000 2.626 1374 F HA 0.792 5.318 4.527 -0.001 0.000 0.311 1374 F C -1.104 174.629 175.800 -0.111 0.000 1.088 1374 F CA -1.424 56.422 58.000 -0.257 0.000 0.949 1374 F CB 1.190 39.737 39.000 -0.756 0.000 1.322 1374 F HN 0.485 nan 8.300 nan 0.000 0.461 1375 A N 1.951 124.833 122.820 0.104 0.000 2.294 1375 A HA 0.841 5.161 4.320 -0.001 0.000 0.330 1375 A C -0.921 176.744 177.584 0.135 0.000 1.133 1375 A CA -0.898 51.164 52.037 0.042 0.000 0.836 1375 A CB 0.798 19.786 19.000 -0.020 0.000 1.190 1375 A HN 0.765 nan 8.150 nan 0.000 0.492 1376 I N 1.465 122.044 120.570 0.016 0.000 2.378 1376 I HA 0.437 4.607 4.170 -0.001 0.000 0.291 1376 I C -0.014 176.025 176.117 -0.131 0.000 0.992 1376 I CA -0.350 60.882 61.300 -0.114 0.000 1.154 1376 I CB 1.460 39.392 38.000 -0.113 0.000 1.315 1376 I HN 0.677 nan 8.210 nan 0.000 0.448 1377 R N 5.085 125.476 120.500 -0.182 0.000 2.744 1377 R HA 0.587 4.926 4.340 -0.001 0.000 0.279 1377 R C -1.150 175.071 176.300 -0.132 0.000 0.977 1377 R CA -0.969 55.060 56.100 -0.117 0.000 0.906 1377 R CB 2.585 32.847 30.300 -0.064 0.000 1.197 1377 R HN 0.552 nan 8.270 nan 0.000 0.463 1378 E N 0.587 120.738 120.200 -0.081 0.000 2.182 1378 E HA 0.232 4.581 4.350 -0.001 0.000 0.258 1378 E C -0.096 176.481 176.600 -0.039 0.000 0.879 1378 E CA -0.516 55.845 56.400 -0.065 0.000 0.754 1378 E CB 1.842 31.522 29.700 -0.034 0.000 1.162 1378 E HN 0.906 nan 8.360 nan 0.000 0.419 1379 G N 2.565 111.345 108.800 -0.034 0.000 2.395 1379 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.300 1379 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.300 1379 G C 0.949 175.841 174.900 -0.013 0.000 0.998 1379 G CA 0.798 45.889 45.100 -0.016 0.000 1.046 1379 G HN 1.112 nan 8.290 nan 0.000 0.513 1380 G N -1.158 107.632 108.800 -0.017 0.000 2.253 1380 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.251 1380 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.251 1380 G C 0.573 175.445 174.900 -0.047 0.000 0.998 1380 G CA 1.079 46.164 45.100 -0.026 0.000 0.621 1380 G HN 1.252 nan 8.290 nan 0.000 0.524 1381 R N 1.468 121.945 120.500 -0.039 0.000 2.265 1381 R HA 0.505 4.844 4.340 -0.001 0.000 0.314 1381 R C -0.123 176.145 176.300 -0.054 0.000 1.053 1381 R CA 0.055 56.131 56.100 -0.041 0.000 0.931 1381 R CB 0.345 30.631 30.300 -0.023 0.000 1.024 1381 R HN 0.109 nan 8.270 nan 0.000 0.457 1382 T N 4.074 118.590 114.554 -0.063 0.000 2.834 1382 T HA 0.099 4.448 4.350 -0.001 0.000 0.298 1382 T C 0.997 175.670 174.700 -0.044 0.000 0.966 1382 T CA -0.260 61.801 62.100 -0.065 0.000 1.141 1382 T CB 0.981 69.805 68.868 -0.073 0.000 0.905 1382 T HN 0.599 nan 8.240 nan 0.000 0.535 1383 V N 0.630 120.517 119.914 -0.045 0.000 3.398 1383 V HA 0.699 4.818 4.120 -0.001 0.000 0.298 1383 V C 0.597 176.661 176.094 -0.051 0.000 1.496 1383 V CA 0.356 62.634 62.300 -0.038 0.000 1.044 1383 V CB 0.004 31.815 31.823 -0.020 0.000 0.880 1383 V HN 0.933 nan 8.190 nan 0.000 0.443 1384 G N -0.722 108.051 108.800 -0.045 0.000 2.550 1384 G HA2 0.831 4.790 3.960 -0.001 0.000 0.293 1384 G HA3 0.831 4.790 3.960 -0.001 0.000 0.293 1384 G C -1.571 173.308 174.900 -0.034 0.000 1.402 1384 G CA -0.117 44.956 45.100 -0.045 0.000 0.784 1384 G HN 1.141 nan 8.290 nan 0.000 0.482 1385 A N -1.363 121.432 122.820 -0.041 0.000 2.549 1385 A HA 0.999 5.318 4.320 -0.001 0.000 0.297 1385 A C -0.127 177.261 177.584 -0.328 0.000 1.061 1385 A CA 0.105 52.044 52.037 -0.164 0.000 0.690 1385 A CB 1.833 20.784 19.000 -0.081 0.000 1.287 1385 A HN 2.209 nan 8.150 nan 0.000 0.402 1386 G N -0.716 107.556 108.800 -0.880 0.000 2.694 1386 G HA2 0.653 4.612 3.960 -0.001 0.000 0.290 1386 G HA3 0.653 4.612 3.960 -0.001 0.000 0.290 1386 G C -1.687 172.686 174.900 -0.878 0.000 1.386 1386 G CA -0.583 43.857 45.100 -1.100 0.000 0.872 1386 G HN 1.239 nan 8.290 nan 0.000 0.475 1387 V N 0.424 120.177 119.914 -0.268 0.000 2.531 1387 V HA 0.379 4.499 4.120 -0.001 0.000 0.301 1387 V C 0.119 176.360 176.094 0.246 0.000 1.034 1387 V CA -0.809 61.488 62.300 -0.004 0.000 0.865 1387 V CB 1.687 33.508 31.823 -0.004 0.000 0.995 1387 V HN 0.626 nan 8.190 nan 0.000 0.424 1388 V N 4.143 124.219 119.914 0.270 0.000 2.485 1388 V HA 0.255 4.375 4.120 -0.001 0.000 0.287 1388 V C 1.207 177.386 176.094 0.141 0.000 1.022 1388 V CA 1.018 63.430 62.300 0.187 0.000 1.067 1388 V CB 0.692 32.493 31.823 -0.038 0.000 0.967 1388 V HN 1.113 nan 8.190 nan 0.000 0.479 1389 A N 4.937 127.862 122.820 0.176 0.000 2.035 1389 A HA 0.310 4.629 4.320 -0.001 0.000 0.208 1389 A C 0.915 178.548 177.584 0.082 0.000 1.206 1389 A CA 0.372 52.480 52.037 0.118 0.000 0.773 1389 A CB 0.305 19.383 19.000 0.129 0.000 0.878 1389 A HN 0.672 nan 8.150 nan 0.000 0.469 1390 K N -0.141 120.316 120.400 0.096 0.000 2.587 1390 K HA 0.457 4.777 4.320 -0.001 0.000 0.256 1390 K C -1.741 174.879 176.600 0.033 0.000 0.974 1390 K CA -0.447 55.866 56.287 0.043 0.000 0.855 1390 K CB 1.985 34.508 32.500 0.039 0.000 1.292 1390 K HN -0.025 nan 8.250 nan 0.000 0.444 1391 V N 6.101 125.970 119.914 -0.074 0.000 2.715 1391 V HA 0.119 4.238 4.120 -0.001 0.000 0.299 1391 V C 1.006 177.016 176.094 -0.140 0.000 1.054 1391 V CA 0.221 62.400 62.300 -0.202 0.000 1.077 1391 V CB 1.197 32.667 31.823 -0.590 0.000 0.972 1391 V HN 0.806 nan 8.190 nan 0.000 0.484 1392 L N 2.502 123.672 121.223 -0.088 0.000 2.600 1392 L HA 0.288 4.627 4.340 -0.001 0.000 0.213 1392 L C 0.881 177.750 176.870 -0.002 0.000 1.045 1392 L CA 0.480 55.300 54.840 -0.033 0.000 0.863 1392 L CB 0.640 42.687 42.059 -0.021 0.000 1.189 1392 L HN 0.633 nan 8.230 nan 0.000 0.484 1393 S N 0.000 115.728 115.700 0.047 0.000 2.498 1393 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1393 S CA 0.000 58.265 58.200 0.108 0.000 1.107 1393 S CB 0.000 63.229 63.200 0.048 0.000 0.593 1393 S HN 0.000 nan 8.310 nan 0.000 0.517