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 1ciy_1_A DATA FIRST_RESID 33 DATA SEQUENCE YTPIDISLSL TQFLLSEFVP GAGFVLGLVD IIWGIFGPSQ WDAFLVQIEQ DATA SEQUENCE LINQRIEEFA RNQAISRLEG LSNLYQIYAE SFREWEADPT NPALREEMRI DATA SEQUENCE QFNDMNSALT TAIPLLAVQN YQVPLLSVYV QAANLHLSVL RDVSVFGQRW DATA SEQUENCE GFDAATINSR YNDLTRLIGN YTDYAVRWYN TGLERVWGPD SRDWVRYNQF DATA SEQUENCE RRELTLTVLD IVALFSNYDS RRYPIRTVSQ LTREIYTNPV LENFDGSFRG DATA SEQUENCE MAQRIEQNIR QPHLMDILNS ITIYTDVHRG FNYWSGHQIT ASPVGFSGPE DATA SEQUENCE FAFPLFGNAG NAAPPVLVSL TGLGIFRTLS SPLYRRIILG SGPNNQELFV DATA SEQUENCE LDGTEFSFAS LTTNLPSTIY RQRGTVDSLD VIPPQDNSVP PRAGFSHRLS DATA SEQUENCE HVTMLSQAAG AVYTLRAPTF SWQHRSAEFN NIIPSSQITQ IPLTKSTNLG DATA SEQUENCE SGTSVVKGPG FTGGDILRRT SPGQISTLRV NITAPLSQRY RVRIRYASTT DATA SEQUENCE NLQFHTSIDG RPINQGNFSA TMSSGSNLQS GSFRTVGFTT PFNFSNGSSV DATA SEQUENCE FTLSAHVFNS GNEVYIDRIE FVPAEVT 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 33 Y HA 0.000 nan 4.550 nan 0.000 0.201 33 Y C 0.000 175.821 175.900 -0.132 0.000 1.272 33 Y CA 0.000 58.036 58.100 -0.106 0.000 1.940 33 Y CB 0.000 38.400 38.460 -0.099 0.000 1.050 34 T N -1.069 113.475 114.554 -0.016 0.000 2.884 34 T HA 0.405 4.755 4.350 -0.000 0.000 0.277 34 T C -2.272 172.294 174.700 -0.224 0.000 0.976 34 T CA -2.268 59.753 62.100 -0.132 0.000 0.956 34 T CB 1.782 70.559 68.868 -0.151 0.000 1.113 34 T HN 0.222 nan 8.240 nan 0.000 0.554 35 P HA 0.057 nan 4.420 nan 0.000 0.219 35 P C 1.279 178.279 177.300 -0.500 0.000 1.146 35 P CA 0.842 63.374 63.100 -0.948 0.000 0.808 35 P CB -0.128 30.847 31.700 -1.209 0.000 0.779 36 I N -1.012 119.377 120.570 -0.303 0.000 2.500 36 I HA -0.133 4.037 4.170 -0.000 0.000 0.252 36 I C 1.824 177.877 176.117 -0.107 0.000 1.142 36 I CA 1.222 62.412 61.300 -0.184 0.000 1.451 36 I CB -0.382 37.521 38.000 -0.161 0.000 1.093 36 I HN -0.064 nan 8.210 nan 0.000 0.430 37 D N 0.809 121.164 120.400 -0.074 0.000 2.194 37 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 37 D C 2.229 178.500 176.300 -0.048 0.000 0.964 37 D CA 1.069 55.063 54.000 -0.009 0.000 0.846 37 D CB 0.355 41.243 40.800 0.147 0.000 0.962 37 D HN 0.192 nan 8.370 nan 0.000 0.490 38 I N 1.167 121.704 120.570 -0.055 0.000 2.162 38 I HA -0.172 3.998 4.170 -0.000 0.000 0.238 38 I C 2.513 178.626 176.117 -0.006 0.000 1.076 38 I CA 0.893 62.168 61.300 -0.043 0.000 1.353 38 I CB -1.378 36.651 38.000 0.048 0.000 1.063 38 I HN -0.144 nan 8.210 nan 0.000 0.408 39 S N 1.162 116.874 115.700 0.020 0.000 2.374 39 S HA -0.153 4.317 4.470 -0.000 0.000 0.227 39 S C 2.144 176.770 174.600 0.042 0.000 1.037 39 S CA 1.249 59.480 58.200 0.051 0.000 1.024 39 S CB -0.478 62.739 63.200 0.028 0.000 0.861 39 S HN 0.367 nan 8.310 nan 0.000 0.456 40 L N 1.473 122.706 121.223 0.018 0.000 2.141 40 L HA -0.101 4.238 4.340 -0.000 0.000 0.209 40 L C 2.666 179.560 176.870 0.040 0.000 1.094 40 L CA 1.394 56.260 54.840 0.043 0.000 0.763 40 L CB -0.574 41.497 42.059 0.020 0.000 0.908 40 L HN 0.455 nan 8.230 nan 0.000 0.437 41 S N -0.420 115.281 115.700 0.001 0.000 2.436 41 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 41 S C 1.847 176.473 174.600 0.044 0.000 1.014 41 S CA 0.490 58.686 58.200 -0.006 0.000 0.950 41 S CB -0.408 62.746 63.200 -0.077 0.000 0.784 41 S HN 0.293 nan 8.310 nan 0.000 0.504 42 L N 2.489 123.740 121.223 0.046 0.000 2.027 42 L HA 0.015 4.355 4.340 -0.000 0.000 0.206 42 L C 2.368 179.338 176.870 0.168 0.000 1.074 42 L CA 2.248 57.146 54.840 0.097 0.000 0.745 42 L CB -1.578 40.530 42.059 0.081 0.000 0.898 42 L HN 0.264 nan 8.230 nan 0.000 0.433 43 T N -0.394 114.235 114.554 0.125 0.000 2.737 43 T HA -0.277 4.073 4.350 -0.000 0.000 0.269 43 T C 1.765 176.521 174.700 0.094 0.000 1.040 43 T CA 1.804 63.969 62.100 0.108 0.000 1.142 43 T CB -0.267 68.657 68.868 0.093 0.000 0.861 43 T HN 0.539 nan 8.240 nan 0.000 0.456 44 Q N -0.371 119.492 119.800 0.105 0.000 2.079 44 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 44 Q C 2.143 178.199 176.000 0.093 0.000 0.974 44 Q CA 1.283 57.134 55.803 0.080 0.000 0.840 44 Q CB -0.276 28.497 28.738 0.059 0.000 0.898 44 Q HN 0.559 nan 8.270 nan 0.000 0.430 45 F N 1.180 121.124 119.950 -0.009 0.000 2.102 45 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 45 F C 1.828 177.643 175.800 0.025 0.000 1.105 45 F CA 1.299 59.283 58.000 -0.027 0.000 1.239 45 F CB -0.281 38.664 39.000 -0.092 0.000 0.991 45 F HN 0.041 nan 8.300 nan 0.000 0.474 46 L N -0.136 121.114 121.223 0.045 0.000 2.353 46 L HA -0.182 4.158 4.340 -0.000 0.000 0.220 46 L C 2.059 179.032 176.870 0.172 0.000 1.133 46 L CA 0.777 55.700 54.840 0.138 0.000 0.798 46 L CB -0.546 41.694 42.059 0.301 0.000 0.922 46 L HN 0.287 nan 8.230 nan 0.000 0.445 47 L N -1.413 119.833 121.223 0.039 0.000 2.513 47 L HA 0.006 4.346 4.340 -0.000 0.000 0.222 47 L C 2.291 179.150 176.870 -0.019 0.000 1.096 47 L CA 0.608 55.444 54.840 -0.006 0.000 0.857 47 L CB 0.082 42.104 42.059 -0.062 0.000 1.026 47 L HN 0.273 nan 8.230 nan 0.000 0.469 48 S N -2.269 113.401 115.700 -0.050 0.000 2.539 48 S HA 0.130 4.600 4.470 -0.000 0.000 0.226 48 S C 0.935 175.488 174.600 -0.078 0.000 1.054 48 S CA -0.342 57.828 58.200 -0.050 0.000 0.910 48 S CB 0.312 63.489 63.200 -0.038 0.000 0.818 48 S HN 0.205 nan 8.310 nan 0.000 0.490 49 E N 1.116 121.178 120.200 -0.230 0.000 2.939 49 E HA 0.313 4.663 4.350 -0.000 0.000 0.215 49 E C -1.401 175.160 176.600 -0.066 0.000 1.025 49 E CA -0.399 55.844 56.400 -0.262 0.000 1.259 49 E CB -0.058 29.244 29.700 -0.662 0.000 1.228 49 E HN 0.453 nan 8.360 nan 0.000 0.443 50 F N 2.034 121.962 119.950 -0.037 0.000 2.451 50 F HA 0.182 4.709 4.527 -0.000 0.000 0.356 50 F C -0.444 175.329 175.800 -0.046 0.000 1.178 50 F CA -0.760 57.250 58.000 0.016 0.000 1.210 50 F CB 0.221 39.173 39.000 -0.080 0.000 1.504 50 F HN -0.226 nan 8.300 nan 0.000 0.598 51 V N 4.133 124.091 119.914 0.074 0.000 2.891 51 V HA 0.392 4.512 4.120 -0.000 0.000 0.304 51 V C -2.491 173.619 176.094 0.026 0.000 1.171 51 V CA -2.193 60.164 62.300 0.095 0.000 0.943 51 V CB 1.925 33.831 31.823 0.138 0.000 1.037 51 V HN 0.281 nan 8.190 nan 0.000 0.427 52 P HA 0.580 nan 4.420 nan 0.000 0.268 52 P C 0.270 177.827 177.300 0.429 0.000 1.205 52 P CA 0.640 63.852 63.100 0.186 0.000 0.771 52 P CB 0.833 32.610 31.700 0.129 0.000 0.858 53 G N 0.223 109.344 108.800 0.536 0.000 2.337 53 G HA2 0.339 4.299 3.960 -0.000 0.000 0.298 53 G HA3 0.339 4.299 3.960 -0.000 0.000 0.298 53 G C 0.273 175.342 174.900 0.281 0.000 1.335 53 G CA -0.064 45.329 45.100 0.488 0.000 0.875 53 G HN 0.375 nan 8.290 nan 0.000 0.579 54 A N -0.590 122.413 122.820 0.304 0.000 1.872 54 A HA 0.336 4.656 4.320 -0.000 0.000 0.214 54 A C 2.733 180.409 177.584 0.153 0.000 1.187 54 A CA 2.691 54.829 52.037 0.167 0.000 0.614 54 A CB -1.176 18.013 19.000 0.315 0.000 0.826 54 A HN 2.139 nan 8.150 nan 0.000 0.442 55 G N -0.985 107.947 108.800 0.219 0.000 2.513 55 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.219 55 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.219 55 G C 1.486 176.592 174.900 0.342 0.000 1.160 55 G CA 1.321 46.566 45.100 0.241 0.000 0.767 55 G HN 0.457 nan 8.290 nan 0.000 0.571 56 F N 0.930 121.025 119.950 0.241 0.000 2.075 56 F HA -0.104 4.423 4.527 -0.000 0.000 0.297 56 F C 2.856 178.816 175.800 0.268 0.000 1.113 56 F CA 1.602 59.807 58.000 0.341 0.000 1.218 56 F CB -0.349 38.741 39.000 0.150 0.000 0.984 56 F HN 0.014 nan 8.300 nan 0.000 0.472 57 V N 0.919 121.033 119.914 0.334 0.000 2.252 57 V HA -0.354 3.766 4.120 -0.000 0.000 0.249 57 V C 2.382 178.579 176.094 0.171 0.000 1.056 57 V CA 2.267 64.684 62.300 0.196 0.000 1.022 57 V CB -0.798 30.899 31.823 -0.210 0.000 0.641 57 V HN 0.375 nan 8.190 nan 0.000 0.445 58 L N 0.057 121.333 121.223 0.088 0.000 2.291 58 L HA 0.014 4.354 4.340 -0.000 0.000 0.214 58 L C 2.601 179.456 176.870 -0.025 0.000 1.120 58 L CA 1.176 56.052 54.840 0.060 0.000 0.799 58 L CB -1.115 40.976 42.059 0.054 0.000 0.925 58 L HN 0.472 nan 8.230 nan 0.000 0.446 59 G N 0.645 109.370 108.800 -0.124 0.000 2.446 59 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 59 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 59 G C 1.559 176.077 174.900 -0.637 0.000 1.168 59 G CA 0.423 45.152 45.100 -0.618 0.000 0.771 59 G HN 0.229 nan 8.290 nan 0.000 0.551 60 L N 0.377 121.399 121.223 -0.336 0.000 2.353 60 L HA -0.036 4.304 4.340 -0.000 0.000 0.220 60 L C 2.789 179.739 176.870 0.133 0.000 1.133 60 L CA 0.258 55.039 54.840 -0.099 0.000 0.798 60 L CB -0.324 41.748 42.059 0.023 0.000 0.922 60 L HN 0.126 nan 8.230 nan 0.000 0.445 61 V N -0.454 119.565 119.914 0.175 0.000 2.446 61 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 61 V C 2.005 178.141 176.094 0.070 0.000 1.039 61 V CA 1.488 63.934 62.300 0.243 0.000 1.045 61 V CB -0.210 31.759 31.823 0.243 0.000 0.681 61 V HN 0.407 nan 8.190 nan 0.000 0.459 62 D N -0.052 120.322 120.400 -0.043 0.000 2.219 62 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 62 D C 2.000 178.215 176.300 -0.143 0.000 0.970 62 D CA 1.266 55.214 54.000 -0.088 0.000 0.851 62 D CB 0.224 40.954 40.800 -0.117 0.000 0.943 62 D HN 0.410 nan 8.370 nan 0.000 0.488 63 I N 0.196 120.642 120.570 -0.207 0.000 2.429 63 I HA -0.105 4.065 4.170 -0.000 0.000 0.247 63 I C 1.965 177.947 176.117 -0.224 0.000 1.099 63 I CA 0.636 61.800 61.300 -0.226 0.000 1.422 63 I CB 0.254 38.083 38.000 -0.285 0.000 1.112 63 I HN -0.082 nan 8.210 nan 0.000 0.430 64 I N -1.370 119.050 120.570 -0.250 0.000 3.534 64 I HA 0.001 4.171 4.170 -0.000 0.000 0.251 64 I C 1.888 177.730 176.117 -0.459 0.000 1.136 64 I CA 0.711 61.730 61.300 -0.468 0.000 1.475 64 I CB -1.295 36.248 38.000 -0.762 0.000 1.526 64 I HN 0.237 nan 8.210 nan 0.000 0.454 65 W N 2.135 123.418 121.300 -0.028 0.000 2.699 65 W HA 0.166 4.826 4.660 -0.000 0.000 0.249 65 W C 1.901 178.493 176.519 0.121 0.000 1.280 65 W CA 0.598 57.987 57.345 0.073 0.000 1.345 65 W CB -0.533 28.940 29.460 0.021 0.000 1.128 65 W HN 0.178 nan 8.180 nan 0.000 0.642 66 G N 0.605 109.547 108.800 0.236 0.000 3.414 66 G HA2 0.266 4.226 3.960 -0.000 0.000 0.258 66 G HA3 0.266 4.226 3.960 -0.000 0.000 0.258 66 G C -0.493 174.513 174.900 0.176 0.000 1.348 66 G CA -0.150 45.072 45.100 0.203 0.000 1.319 66 G HN 0.005 nan 8.290 nan 0.000 0.555 67 I N 0.838 121.500 120.570 0.153 0.000 2.562 67 I HA 0.658 4.827 4.170 -0.000 0.000 0.301 67 I C -0.996 175.238 176.117 0.195 0.000 1.003 67 I CA -2.412 58.923 61.300 0.059 0.000 1.127 67 I CB 1.614 39.492 38.000 -0.203 0.000 1.304 67 I HN 0.135 nan 8.210 nan 0.000 0.446 68 F N 4.567 124.535 119.950 0.029 0.000 2.460 68 F HA 0.942 5.469 4.527 -0.000 0.000 0.341 68 F C 0.138 175.961 175.800 0.037 0.000 1.130 68 F CA -1.049 56.984 58.000 0.055 0.000 0.962 68 F CB 0.977 40.002 39.000 0.042 0.000 1.171 68 F HN 0.782 nan 8.300 nan 0.000 0.436 69 G N 3.708 112.579 108.800 0.117 0.000 2.592 69 G HA2 0.046 4.006 3.960 -0.000 0.000 0.685 69 G HA3 0.046 4.006 3.960 -0.000 0.000 0.685 69 G C -2.760 172.176 174.900 0.060 0.000 1.278 69 G CA -0.894 44.236 45.100 0.049 0.000 0.822 69 G HN 0.423 nan 8.290 nan 0.000 0.652 70 P HA -0.062 nan 4.420 nan 0.000 0.218 70 P C 2.179 179.506 177.300 0.046 0.000 1.148 70 P CA 1.812 65.007 63.100 0.157 0.000 0.822 70 P CB 0.086 31.845 31.700 0.099 0.000 0.784 71 S N 0.326 116.001 115.700 -0.042 0.000 2.433 71 S HA -0.381 4.089 4.470 -0.000 0.000 0.276 71 S C 2.023 176.538 174.600 -0.141 0.000 1.122 71 S CA 2.149 60.291 58.200 -0.095 0.000 1.277 71 S CB -1.474 61.642 63.200 -0.140 0.000 1.198 71 S HN 0.396 nan 8.310 nan 0.000 0.440 72 Q N -0.198 119.422 119.800 -0.300 0.000 2.084 72 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 72 Q C 2.003 177.806 176.000 -0.329 0.000 0.978 72 Q CA 1.700 57.269 55.803 -0.391 0.000 0.844 72 Q CB -0.259 28.060 28.738 -0.697 0.000 0.898 72 Q HN 0.763 nan 8.270 nan 0.000 0.426 73 W N 0.900 122.175 121.300 -0.043 0.000 2.381 73 W HA -0.122 4.538 4.660 -0.000 0.000 0.301 73 W C 1.990 178.537 176.519 0.047 0.000 1.205 73 W CA 0.764 58.080 57.345 -0.050 0.000 1.285 73 W CB -0.326 29.067 29.460 -0.111 0.000 1.133 73 W HN 0.369 nan 8.180 nan 0.000 0.521 74 D N 0.282 120.788 120.400 0.178 0.000 2.117 74 D HA -0.198 4.442 4.640 -0.000 0.000 0.197 74 D C 2.188 178.541 176.300 0.089 0.000 0.987 74 D CA 2.019 56.087 54.000 0.113 0.000 0.829 74 D CB -0.320 40.514 40.800 0.057 0.000 0.961 74 D HN 0.001 nan 8.370 nan 0.000 0.460 75 A N -0.669 122.187 122.820 0.059 0.000 1.933 75 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 75 A C 2.044 179.643 177.584 0.025 0.000 1.175 75 A CA 1.021 53.065 52.037 0.013 0.000 0.628 75 A CB -1.076 17.902 19.000 -0.036 0.000 0.814 75 A HN 0.327 nan 8.150 nan 0.000 0.444 76 F N 0.107 120.029 119.950 -0.048 0.000 2.134 76 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 76 F C 2.175 177.992 175.800 0.028 0.000 1.097 76 F CA 1.405 59.401 58.000 -0.007 0.000 1.264 76 F CB -0.406 38.629 39.000 0.059 0.000 1.001 76 F HN 0.098 nan 8.300 nan 0.000 0.479 77 L N -1.085 120.278 121.223 0.232 0.000 2.027 77 L HA -0.199 4.141 4.340 -0.000 0.000 0.206 77 L C 2.342 179.258 176.870 0.077 0.000 1.074 77 L CA 0.821 55.748 54.840 0.145 0.000 0.745 77 L CB -1.025 41.109 42.059 0.126 0.000 0.898 77 L HN -0.054 nan 8.230 nan 0.000 0.433 78 V N -0.231 119.712 119.914 0.049 0.000 2.332 78 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 78 V C 2.495 178.586 176.094 -0.005 0.000 1.055 78 V CA 1.932 64.243 62.300 0.018 0.000 1.038 78 V CB -0.576 31.247 31.823 -0.000 0.000 0.651 78 V HN 0.457 nan 8.190 nan 0.000 0.450 79 Q N -0.191 119.586 119.800 -0.038 0.000 2.197 79 Q HA -0.184 4.156 4.340 -0.000 0.000 0.207 79 Q C 1.866 177.838 176.000 -0.047 0.000 0.984 79 Q CA 2.084 57.841 55.803 -0.077 0.000 0.869 79 Q CB -0.202 28.438 28.738 -0.162 0.000 0.906 79 Q HN 0.709 nan 8.270 nan 0.000 0.426 80 I N -1.040 119.525 120.570 -0.007 0.000 3.081 80 I HA -0.051 4.118 4.170 -0.000 0.000 0.274 80 I C 1.795 177.955 176.117 0.071 0.000 1.178 80 I CA 0.290 61.605 61.300 0.026 0.000 1.460 80 I CB -0.111 37.916 38.000 0.045 0.000 1.137 80 I HN 0.177 nan 8.210 nan 0.000 0.443 81 E N 0.985 121.224 120.200 0.066 0.000 2.058 81 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 81 E C 1.666 178.301 176.600 0.059 0.000 0.997 81 E CA 1.051 57.495 56.400 0.074 0.000 0.801 81 E CB -0.019 29.719 29.700 0.064 0.000 0.746 81 E HN 0.377 nan 8.360 nan 0.000 0.450 82 Q N -0.025 119.797 119.800 0.037 0.000 2.482 82 Q HA -0.012 4.328 4.340 -0.000 0.000 0.209 82 Q C 1.615 177.633 176.000 0.030 0.000 0.961 82 Q CA 0.410 56.227 55.803 0.025 0.000 0.945 82 Q CB 0.383 29.124 28.738 0.005 0.000 1.012 82 Q HN 0.205 nan 8.270 nan 0.000 0.515 83 L N -0.277 120.980 121.223 0.056 0.000 2.349 83 L HA 0.131 4.471 4.340 -0.000 0.000 0.200 83 L C 1.685 178.623 176.870 0.113 0.000 1.064 83 L CA 0.981 55.871 54.840 0.083 0.000 0.821 83 L CB -0.043 42.078 42.059 0.102 0.000 1.027 83 L HN 0.155 nan 8.230 nan 0.000 0.476 84 I N -2.941 117.711 120.570 0.136 0.000 3.684 84 I HA 0.200 4.370 4.170 -0.000 0.000 0.304 84 I C -0.155 175.994 176.117 0.053 0.000 1.278 84 I CA 0.054 61.411 61.300 0.095 0.000 1.272 84 I CB -0.394 37.678 38.000 0.120 0.000 1.029 84 I HN 0.206 nan 8.210 nan 0.000 0.458 85 N N 2.667 121.400 118.700 0.054 0.000 2.726 85 N HA -0.236 4.504 4.740 -0.000 0.000 0.253 85 N C -0.300 175.240 175.510 0.050 0.000 1.059 85 N CA 0.908 53.983 53.050 0.040 0.000 0.701 85 N CB -1.345 37.155 38.487 0.022 0.000 0.899 85 N HN 0.815 nan 8.380 nan 0.000 0.548 86 Q N 0.220 120.064 119.800 0.072 0.000 2.650 86 Q HA 0.238 4.578 4.340 -0.000 0.000 0.239 86 Q C -0.671 175.410 176.000 0.134 0.000 0.893 86 Q CA -0.644 55.219 55.803 0.099 0.000 0.755 86 Q CB 1.333 30.124 28.738 0.088 0.000 1.349 86 Q HN 0.370 nan 8.270 nan 0.000 0.461 87 R N 4.093 124.666 120.500 0.122 0.000 2.340 87 R HA 0.340 4.680 4.340 -0.000 0.000 0.300 87 R C -0.625 175.758 176.300 0.139 0.000 1.069 87 R CA -0.203 55.957 56.100 0.100 0.000 0.984 87 R CB 0.552 30.888 30.300 0.059 0.000 1.003 87 R HN 0.550 nan 8.270 nan 0.000 0.459 88 I N 3.389 123.990 120.570 0.053 0.000 2.588 88 I HA -0.028 4.142 4.170 -0.000 0.000 0.283 88 I C 1.018 176.924 176.117 -0.351 0.000 1.119 88 I CA 0.090 61.266 61.300 -0.207 0.000 1.419 88 I CB 0.719 38.611 38.000 -0.180 0.000 1.394 88 I HN 0.648 nan 8.210 nan 0.000 0.562 89 E N 6.542 126.306 120.200 -0.726 0.000 2.502 89 E HA -0.118 4.232 4.350 -0.000 0.000 0.261 89 E C 0.825 177.302 176.600 -0.204 0.000 0.974 89 E CA 0.106 56.306 56.400 -0.335 0.000 0.936 89 E CB 0.695 30.205 29.700 -0.317 0.000 0.926 89 E HN 0.480 nan 8.360 nan 0.000 0.459 90 E N 4.063 124.223 120.200 -0.067 0.000 2.068 90 E HA -0.245 4.105 4.350 -0.000 0.000 0.207 90 E C 1.601 178.214 176.600 0.022 0.000 1.032 90 E CA 1.345 57.737 56.400 -0.012 0.000 0.839 90 E CB -0.586 29.132 29.700 0.029 0.000 0.758 90 E HN 0.662 nan 8.360 nan 0.000 0.457 91 F N 1.255 121.153 119.950 -0.085 0.000 2.025 91 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 91 F C 2.376 178.124 175.800 -0.086 0.000 1.132 91 F CA 1.851 59.809 58.000 -0.070 0.000 1.191 91 F CB -0.904 38.062 39.000 -0.056 0.000 0.963 91 F HN 0.015 nan 8.300 nan 0.000 0.481 92 A N 0.222 122.897 122.820 -0.242 0.000 1.940 92 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 92 A C 2.410 179.819 177.584 -0.291 0.000 1.176 92 A CA 1.887 53.717 52.037 -0.345 0.000 0.631 92 A CB -0.931 17.916 19.000 -0.256 0.000 0.814 92 A HN 0.509 nan 8.150 nan 0.000 0.446 93 R N -0.325 120.038 120.500 -0.228 0.000 2.081 93 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 93 R C 1.878 178.099 176.300 -0.132 0.000 1.131 93 R CA 1.712 57.719 56.100 -0.156 0.000 0.960 93 R CB -0.242 29.990 30.300 -0.114 0.000 0.856 93 R HN 0.567 nan 8.270 nan 0.000 0.436 94 N N 0.418 119.031 118.700 -0.145 0.000 2.135 94 N HA -0.196 4.544 4.740 -0.000 0.000 0.186 94 N C 1.684 177.087 175.510 -0.177 0.000 1.027 94 N CA 1.111 54.090 53.050 -0.119 0.000 0.849 94 N CB -0.248 38.198 38.487 -0.069 0.000 1.002 94 N HN 0.390 nan 8.380 nan 0.000 0.425 95 Q N 0.800 120.411 119.800 -0.316 0.000 2.112 95 Q HA -0.113 4.227 4.340 -0.000 0.000 0.206 95 Q C 1.849 177.705 176.000 -0.241 0.000 0.987 95 Q CA 1.782 57.379 55.803 -0.343 0.000 0.858 95 Q CB -0.045 28.345 28.738 -0.580 0.000 0.905 95 Q HN 0.346 nan 8.270 nan 0.000 0.420 96 A N 0.674 123.362 122.820 -0.219 0.000 1.898 96 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 96 A C 1.959 179.433 177.584 -0.184 0.000 1.181 96 A CA 1.286 53.214 52.037 -0.181 0.000 0.620 96 A CB -0.563 18.356 19.000 -0.135 0.000 0.819 96 A HN 0.495 nan 8.150 nan 0.000 0.442 97 I N -0.904 119.587 120.570 -0.131 0.000 2.439 97 I HA -0.153 4.017 4.170 -0.000 0.000 0.251 97 I C 2.724 178.767 176.117 -0.124 0.000 1.139 97 I CA 1.327 62.571 61.300 -0.093 0.000 1.438 97 I CB -0.401 37.608 38.000 0.014 0.000 1.085 97 I HN 0.390 nan 8.210 nan 0.000 0.427 98 S N 0.881 116.512 115.700 -0.116 0.000 2.355 98 S HA -0.133 4.337 4.470 -0.000 0.000 0.222 98 S C 2.212 176.731 174.600 -0.135 0.000 1.031 98 S CA 1.144 59.286 58.200 -0.097 0.000 0.993 98 S CB -0.057 63.088 63.200 -0.093 0.000 0.859 98 S HN 0.265 nan 8.310 nan 0.000 0.453 99 R N 1.040 121.433 120.500 -0.178 0.000 2.105 99 R HA 0.028 4.368 4.340 -0.000 0.000 0.239 99 R C 2.241 178.385 176.300 -0.259 0.000 1.135 99 R CA 0.937 56.917 56.100 -0.199 0.000 0.967 99 R CB -1.363 28.810 30.300 -0.211 0.000 0.861 99 R HN 0.468 nan 8.270 nan 0.000 0.442 100 L N 0.630 121.619 121.223 -0.389 0.000 2.083 100 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 100 L C 2.185 178.823 176.870 -0.386 0.000 1.083 100 L CA 1.360 55.798 54.840 -0.670 0.000 0.752 100 L CB -0.352 40.843 42.059 -1.441 0.000 0.899 100 L HN 0.221 nan 8.230 nan 0.000 0.433 101 E N -0.126 119.968 120.200 -0.178 0.000 2.152 101 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 101 E C 2.252 178.871 176.600 0.032 0.000 0.983 101 E CA 0.889 57.317 56.400 0.048 0.000 0.818 101 E CB -0.237 29.508 29.700 0.075 0.000 0.758 101 E HN 0.557 nan 8.360 nan 0.000 0.467 102 G N 1.618 110.392 108.800 -0.045 0.000 2.421 102 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.216 102 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.216 102 G C 1.605 176.469 174.900 -0.059 0.000 1.171 102 G CA 0.426 45.495 45.100 -0.050 0.000 0.775 102 G HN 0.075 nan 8.290 nan 0.000 0.543 103 L N 0.566 121.722 121.223 -0.113 0.000 2.131 103 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 103 L C 3.058 179.895 176.870 -0.055 0.000 1.092 103 L CA 1.025 55.757 54.840 -0.181 0.000 0.759 103 L CB -0.347 41.516 42.059 -0.327 0.000 0.903 103 L HN 0.275 nan 8.230 nan 0.000 0.435 104 S N 0.063 115.855 115.700 0.155 0.000 2.345 104 S HA -0.138 4.332 4.470 -0.000 0.000 0.220 104 S C 1.860 176.603 174.600 0.239 0.000 1.031 104 S CA 1.382 59.801 58.200 0.365 0.000 0.996 104 S CB -0.153 63.338 63.200 0.484 0.000 0.882 104 S HN 0.457 nan 8.310 nan 0.000 0.445 105 N N 1.595 120.387 118.700 0.152 0.000 2.084 105 N HA -0.085 4.654 4.740 -0.000 0.000 0.190 105 N C 1.648 177.200 175.510 0.069 0.000 1.030 105 N CA 1.011 54.124 53.050 0.106 0.000 0.849 105 N CB -0.897 37.630 38.487 0.068 0.000 1.012 105 N HN 0.306 nan 8.380 nan 0.000 0.423 106 L N 0.404 121.647 121.223 0.034 0.000 1.994 106 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 106 L C 2.112 179.000 176.870 0.031 0.000 1.071 106 L CA 1.566 56.411 54.840 0.008 0.000 0.745 106 L CB -1.270 40.764 42.059 -0.042 0.000 0.892 106 L HN 0.167 nan 8.230 nan 0.000 0.431 107 Y N 0.176 120.412 120.300 -0.107 0.000 2.315 107 Y HA -0.256 4.293 4.550 -0.000 0.000 0.288 107 Y C 2.530 178.446 175.900 0.027 0.000 1.154 107 Y CA 1.895 59.915 58.100 -0.134 0.000 1.229 107 Y CB -0.157 38.098 38.460 -0.342 0.000 0.980 107 Y HN 0.439 nan 8.280 nan 0.000 0.540 108 Q N -0.781 119.061 119.800 0.070 0.000 2.172 108 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 108 Q C 1.974 177.962 176.000 -0.020 0.000 0.964 108 Q CA 1.143 56.968 55.803 0.038 0.000 0.855 108 Q CB 0.065 28.866 28.738 0.106 0.000 0.918 108 Q HN 0.450 nan 8.270 nan 0.000 0.444 109 I N -0.269 120.297 120.570 -0.007 0.000 2.193 109 I HA -0.253 3.917 4.170 -0.000 0.000 0.240 109 I C 2.223 178.322 176.117 -0.029 0.000 1.084 109 I CA 1.324 62.615 61.300 -0.015 0.000 1.365 109 I CB -1.254 36.742 38.000 -0.007 0.000 1.064 109 I HN 0.219 nan 8.210 nan 0.000 0.410 110 Y N 2.380 122.569 120.300 -0.186 0.000 2.081 110 Y HA -0.311 4.239 4.550 -0.000 0.000 0.280 110 Y C 2.665 178.423 175.900 -0.236 0.000 1.163 110 Y CA 2.177 60.149 58.100 -0.213 0.000 1.135 110 Y CB -0.529 37.775 38.460 -0.260 0.000 0.970 110 Y HN 0.138 nan 8.280 nan 0.000 0.498 111 A N -0.270 122.481 122.820 -0.115 0.000 1.940 111 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 111 A C 2.121 179.691 177.584 -0.023 0.000 1.176 111 A CA 2.031 53.986 52.037 -0.136 0.000 0.631 111 A CB -0.839 17.972 19.000 -0.314 0.000 0.814 111 A HN 0.561 nan 8.150 nan 0.000 0.446 112 E N 0.361 120.540 120.200 -0.036 0.000 2.072 112 E HA -0.089 4.260 4.350 -0.000 0.000 0.191 112 E C 2.234 178.833 176.600 -0.003 0.000 0.985 112 E CA 1.560 57.957 56.400 -0.005 0.000 0.801 112 E CB -0.309 29.382 29.700 -0.015 0.000 0.750 112 E HN 0.531 nan 8.360 nan 0.000 0.452 113 S N 0.023 115.687 115.700 -0.061 0.000 2.370 113 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 113 S C 1.709 176.276 174.600 -0.055 0.000 1.033 113 S CA 1.176 59.313 58.200 -0.105 0.000 1.011 113 S CB -0.581 62.485 63.200 -0.223 0.000 0.852 113 S HN 0.379 nan 8.310 nan 0.000 0.457 114 F N 2.907 122.719 119.950 -0.229 0.000 2.102 114 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 114 F C 2.559 178.410 175.800 0.086 0.000 1.105 114 F CA 1.465 59.414 58.000 -0.085 0.000 1.239 114 F CB -0.340 38.600 39.000 -0.101 0.000 0.991 114 F HN 0.008 nan 8.300 nan 0.000 0.474 115 R N 0.669 121.384 120.500 0.360 0.000 2.091 115 R HA -0.200 4.140 4.340 -0.000 0.000 0.238 115 R C 2.107 178.477 176.300 0.116 0.000 1.136 115 R CA 2.148 58.394 56.100 0.244 0.000 0.959 115 R CB -0.573 29.809 30.300 0.137 0.000 0.856 115 R HN 0.423 nan 8.270 nan 0.000 0.437 116 E N -0.854 119.388 120.200 0.070 0.000 2.072 116 E HA -0.206 4.144 4.350 -0.000 0.000 0.190 116 E C 1.620 178.211 176.600 -0.014 0.000 0.982 116 E CA 1.253 57.661 56.400 0.013 0.000 0.803 116 E CB -0.297 29.403 29.700 -0.001 0.000 0.755 116 E HN 0.455 nan 8.360 nan 0.000 0.453 117 W N 2.322 123.516 121.300 -0.178 0.000 2.354 117 W HA -0.184 4.476 4.660 -0.000 0.000 0.315 117 W C 1.942 178.341 176.519 -0.200 0.000 1.206 117 W CA 1.606 58.811 57.345 -0.234 0.000 1.290 117 W CB -0.221 29.000 29.460 -0.398 0.000 1.152 117 W HN -0.028 nan 8.180 nan 0.000 0.489 118 E N 0.072 119.948 120.200 -0.540 0.000 2.219 118 E HA -0.257 4.093 4.350 -0.000 0.000 0.198 118 E C 2.105 178.380 176.600 -0.540 0.000 0.998 118 E CA 1.440 57.339 56.400 -0.835 0.000 0.818 118 E CB -0.308 29.247 29.700 -0.242 0.000 0.741 118 E HN 0.378 nan 8.360 nan 0.000 0.477 119 A N 0.413 123.042 122.820 -0.318 0.000 1.970 119 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 119 A C 1.144 178.592 177.584 -0.228 0.000 1.170 119 A CA 1.188 53.102 52.037 -0.205 0.000 0.645 119 A CB 0.300 19.236 19.000 -0.107 0.000 0.816 119 A HN 0.170 nan 8.150 nan 0.000 0.447 120 D N -1.779 118.450 120.400 -0.285 0.000 2.849 120 D HA 0.199 4.838 4.640 -0.000 0.000 0.314 120 D C -2.134 173.978 176.300 -0.313 0.000 1.210 120 D CA -1.448 52.419 54.000 -0.223 0.000 0.756 120 D CB 0.831 41.557 40.800 -0.124 0.000 1.222 120 D HN 0.108 nan 8.370 nan 0.000 0.521 121 P HA -0.097 nan 4.420 nan 0.000 0.236 121 P C 0.820 178.070 177.300 -0.083 0.000 1.172 121 P CA 0.917 63.607 63.100 -0.684 0.000 0.759 121 P CB 0.169 31.397 31.700 -0.786 0.000 0.843 122 T N -5.091 109.422 114.554 -0.067 0.000 3.023 122 T HA 0.031 4.381 4.350 -0.000 0.000 0.249 122 T C 1.097 175.813 174.700 0.027 0.000 1.050 122 T CA -0.256 61.851 62.100 0.013 0.000 1.088 122 T CB -0.801 68.058 68.868 -0.015 0.000 0.946 122 T HN -0.008 nan 8.240 nan 0.000 0.480 123 N N 4.215 122.917 118.700 0.004 0.000 2.418 123 N HA 0.029 4.769 4.740 -0.000 0.000 0.277 123 N C -1.281 174.250 175.510 0.034 0.000 1.317 123 N CA -1.570 51.484 53.050 0.007 0.000 0.922 123 N CB 1.150 39.630 38.487 -0.012 0.000 1.194 123 N HN 0.149 nan 8.380 nan 0.000 0.485 124 P HA -0.193 nan 4.420 nan 0.000 0.218 124 P C 0.812 178.105 177.300 -0.013 0.000 1.146 124 P CA 1.186 64.291 63.100 0.009 0.000 0.813 124 P CB 0.236 31.933 31.700 -0.004 0.000 0.778 125 A N 0.564 123.375 122.820 -0.015 0.000 1.841 125 A HA -0.106 4.214 4.320 -0.000 0.000 0.214 125 A C 2.501 180.059 177.584 -0.043 0.000 1.195 125 A CA 1.304 53.321 52.037 -0.033 0.000 0.611 125 A CB -1.522 17.461 19.000 -0.029 0.000 0.835 125 A HN 0.111 nan 8.150 nan 0.000 0.443 126 L N -0.686 120.531 121.223 -0.010 0.000 2.079 126 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 126 L C 2.781 179.628 176.870 -0.038 0.000 1.081 126 L CA 1.573 56.415 54.840 0.003 0.000 0.752 126 L CB -0.600 41.509 42.059 0.084 0.000 0.896 126 L HN 0.388 nan 8.230 nan 0.000 0.433 127 R N -0.241 120.273 120.500 0.023 0.000 2.148 127 R HA -0.154 4.186 4.340 -0.000 0.000 0.227 127 R C 2.045 178.210 176.300 -0.224 0.000 1.103 127 R CA 0.989 57.035 56.100 -0.091 0.000 0.983 127 R CB -0.190 30.151 30.300 0.068 0.000 0.874 127 R HN 0.471 nan 8.270 nan 0.000 0.451 128 E N 0.849 120.950 120.200 -0.166 0.000 2.190 128 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 128 E C 1.612 178.090 176.600 -0.203 0.000 0.978 128 E CA 0.451 56.741 56.400 -0.182 0.000 0.839 128 E CB 0.333 29.961 29.700 -0.120 0.000 0.787 128 E HN 0.098 nan 8.360 nan 0.000 0.473 129 E N 0.672 120.752 120.200 -0.200 0.000 2.023 129 E HA -0.196 4.153 4.350 -0.000 0.000 0.196 129 E C 1.984 178.399 176.600 -0.309 0.000 1.003 129 E CA 1.505 57.783 56.400 -0.204 0.000 0.809 129 E CB -0.138 29.457 29.700 -0.175 0.000 0.755 129 E HN 0.167 nan 8.360 nan 0.000 0.449 130 M N 0.425 119.714 119.600 -0.518 0.000 2.143 130 M HA -0.204 4.276 4.480 -0.000 0.000 0.258 130 M C 2.123 178.070 176.300 -0.588 0.000 1.071 130 M CA 1.713 56.486 55.300 -0.879 0.000 1.088 130 M CB -0.929 30.614 32.600 -1.761 0.000 1.360 130 M HN 0.170 nan 8.290 nan 0.000 0.404 131 R N -0.558 119.727 120.500 -0.359 0.000 2.148 131 R HA 0.015 4.355 4.340 -0.000 0.000 0.223 131 R C 2.174 178.541 176.300 0.112 0.000 1.088 131 R CA 0.934 57.009 56.100 -0.043 0.000 0.985 131 R CB -0.301 29.734 30.300 -0.442 0.000 0.880 131 R HN 0.374 nan 8.270 nan 0.000 0.451 132 I N 0.881 121.429 120.570 -0.036 0.000 2.162 132 I HA -0.242 3.928 4.170 -0.000 0.000 0.238 132 I C 2.430 178.564 176.117 0.029 0.000 1.076 132 I CA 1.120 62.420 61.300 0.001 0.000 1.353 132 I CB -0.253 37.714 38.000 -0.054 0.000 1.063 132 I HN 0.042 nan 8.210 nan 0.000 0.408 133 Q N 0.273 120.052 119.800 -0.035 0.000 2.096 133 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 133 Q C 2.103 178.186 176.000 0.138 0.000 0.982 133 Q CA 1.787 57.588 55.803 -0.003 0.000 0.850 133 Q CB -0.853 27.818 28.738 -0.113 0.000 0.901 133 Q HN 0.489 nan 8.270 nan 0.000 0.422 134 F N 2.330 122.316 119.950 0.061 0.000 2.065 134 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 134 F C 1.803 177.735 175.800 0.220 0.000 1.112 134 F CA 1.630 59.809 58.000 0.297 0.000 1.212 134 F CB -0.395 38.825 39.000 0.365 0.000 0.975 134 F HN 0.092 nan 8.300 nan 0.000 0.476 135 N N 0.780 119.593 118.700 0.188 0.000 2.061 135 N HA -0.223 4.517 4.740 -0.000 0.000 0.193 135 N C 1.551 176.992 175.510 -0.115 0.000 1.030 135 N CA 1.897 54.968 53.050 0.035 0.000 0.856 135 N CB -0.817 37.796 38.487 0.209 0.000 1.023 135 N HN 0.395 nan 8.380 nan 0.000 0.424 136 D N 0.134 120.500 120.400 -0.058 0.000 2.117 136 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 136 D C 1.916 178.126 176.300 -0.151 0.000 0.987 136 D CA 0.697 54.650 54.000 -0.080 0.000 0.829 136 D CB -0.141 40.636 40.800 -0.039 0.000 0.961 136 D HN 0.085 nan 8.370 nan 0.000 0.460 137 M N 0.459 119.959 119.600 -0.167 0.000 2.065 137 M HA -0.162 4.318 4.480 -0.000 0.000 0.259 137 M C 1.671 177.747 176.300 -0.373 0.000 1.069 137 M CA 1.507 56.660 55.300 -0.245 0.000 1.110 137 M CB -0.623 31.843 32.600 -0.223 0.000 1.328 137 M HN -0.091 nan 8.290 nan 0.000 0.405 138 N N -0.553 117.850 118.700 -0.495 0.000 2.069 138 N HA -0.145 4.595 4.740 -0.000 0.000 0.191 138 N C 1.516 176.827 175.510 -0.331 0.000 1.031 138 N CA 2.109 54.878 53.050 -0.468 0.000 0.852 138 N CB -0.267 37.855 38.487 -0.608 0.000 1.018 138 N HN 0.569 nan 8.380 nan 0.000 0.423 139 S N -0.569 114.983 115.700 -0.246 0.000 2.423 139 S HA 0.045 4.515 4.470 -0.000 0.000 0.231 139 S C 2.096 176.577 174.600 -0.199 0.000 1.014 139 S CA 0.799 58.895 58.200 -0.174 0.000 0.965 139 S CB -0.566 62.569 63.200 -0.108 0.000 0.785 139 S HN 0.452 nan 8.310 nan 0.000 0.495 140 A N 2.164 124.846 122.820 -0.229 0.000 1.898 140 A HA 0.161 4.481 4.320 -0.000 0.000 0.216 140 A C 2.233 179.635 177.584 -0.303 0.000 1.181 140 A CA 1.155 53.055 52.037 -0.229 0.000 0.620 140 A CB -0.799 18.070 19.000 -0.219 0.000 0.819 140 A HN 0.490 nan 8.150 nan 0.000 0.442 141 L N -0.537 120.430 121.223 -0.427 0.000 2.093 141 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 141 L C 2.608 179.166 176.870 -0.521 0.000 1.085 141 L CA 1.680 56.166 54.840 -0.589 0.000 0.755 141 L CB -0.758 40.725 42.059 -0.959 0.000 0.904 141 L HN 0.335 nan 8.230 nan 0.000 0.435 142 T N -1.816 112.491 114.554 -0.412 0.000 2.962 142 T HA -0.115 4.235 4.350 -0.000 0.000 0.270 142 T C 1.776 176.388 174.700 -0.146 0.000 1.088 142 T CA 1.595 63.574 62.100 -0.200 0.000 1.127 142 T CB -0.131 68.674 68.868 -0.104 0.000 0.883 142 T HN 0.350 nan 8.240 nan 0.000 0.493 143 T N 1.163 115.613 114.554 -0.173 0.000 3.021 143 T HA 0.320 4.670 4.350 -0.000 0.000 0.245 143 T C 2.489 177.099 174.700 -0.150 0.000 1.028 143 T CA 0.531 62.551 62.100 -0.133 0.000 1.139 143 T CB -0.267 68.528 68.868 -0.121 0.000 0.884 143 T HN 0.361 nan 8.240 nan 0.000 0.457 144 A N 1.808 124.508 122.820 -0.200 0.000 1.877 144 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 144 A C 2.218 179.675 177.584 -0.212 0.000 1.186 144 A CA 1.082 52.992 52.037 -0.212 0.000 0.620 144 A CB -0.927 17.916 19.000 -0.261 0.000 0.822 144 A HN 0.451 nan 8.150 nan 0.000 0.443 145 I N 0.602 121.019 120.570 -0.255 0.000 2.091 145 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 145 I C -0.279 175.741 176.117 -0.162 0.000 1.046 145 I CA 2.322 63.452 61.300 -0.282 0.000 1.306 145 I CB -1.416 36.377 38.000 -0.345 0.000 1.018 145 I HN 0.303 nan 8.210 nan 0.000 0.404 146 P HA -0.154 nan 4.420 nan 0.000 0.221 146 P C 1.700 178.979 177.300 -0.035 0.000 1.145 146 P CA 1.537 64.616 63.100 -0.035 0.000 0.795 146 P CB -0.147 31.541 31.700 -0.019 0.000 0.775 147 L N -1.280 119.899 121.223 -0.073 0.000 2.552 147 L HA 0.037 4.376 4.340 -0.000 0.000 0.227 147 L C 1.976 178.804 176.870 -0.071 0.000 1.146 147 L CA 0.491 55.283 54.840 -0.080 0.000 0.858 147 L CB -0.532 41.455 42.059 -0.120 0.000 0.969 147 L HN -0.065 nan 8.230 nan 0.000 0.451 148 L N -0.260 120.936 121.223 -0.045 0.000 2.818 148 L HA 0.308 4.648 4.340 -0.000 0.000 0.243 148 L C 0.968 177.912 176.870 0.122 0.000 1.185 148 L CA -0.061 54.788 54.840 0.014 0.000 0.988 148 L CB 0.167 42.216 42.059 -0.016 0.000 1.292 148 L HN 0.119 nan 8.230 nan 0.000 0.519 149 A N -0.311 122.552 122.820 0.071 0.000 2.573 149 A HA 0.345 4.665 4.320 -0.000 0.000 0.269 149 A C 0.122 177.724 177.584 0.029 0.000 0.901 149 A CA -0.247 51.831 52.037 0.067 0.000 1.066 149 A CB 0.197 19.214 19.000 0.029 0.000 1.221 149 A HN -0.031 nan 8.150 nan 0.000 0.483 150 V N 1.390 121.323 119.914 0.032 0.000 2.720 150 V HA -0.022 4.098 4.120 -0.000 0.000 0.307 150 V C 1.003 177.134 176.094 0.062 0.000 1.071 150 V CA 0.415 62.751 62.300 0.059 0.000 1.199 150 V CB 0.601 32.472 31.823 0.080 0.000 0.900 150 V HN 0.780 nan 8.190 nan 0.000 0.494 151 Q N 5.135 124.976 119.800 0.069 0.000 2.283 151 Q HA -0.004 4.336 4.340 -0.000 0.000 0.301 151 Q C 0.851 176.854 176.000 0.005 0.000 1.063 151 Q CA 1.045 56.868 55.803 0.033 0.000 0.952 151 Q CB -0.053 28.724 28.738 0.063 0.000 1.166 151 Q HN 0.747 nan 8.270 nan 0.000 0.381 152 N N 2.251 120.860 118.700 -0.152 0.000 2.967 152 N HA -0.272 4.468 4.740 -0.000 0.000 0.218 152 N C -0.690 174.413 175.510 -0.677 0.000 0.870 152 N CA 1.811 54.636 53.050 -0.376 0.000 1.030 152 N CB -1.264 36.962 38.487 -0.436 0.000 1.027 152 N HN 0.689 nan 8.380 nan 0.000 0.603 153 Y N 0.823 121.053 120.300 -0.117 0.000 2.696 153 Y HA 0.300 4.850 4.550 -0.000 0.000 0.260 153 Y C 1.755 177.550 175.900 -0.175 0.000 1.165 153 Y CA -0.249 57.790 58.100 -0.102 0.000 1.189 153 Y CB 0.454 38.884 38.460 -0.051 0.000 1.180 153 Y HN -0.008 nan 8.280 nan 0.000 0.538 154 Q N -0.068 119.536 119.800 -0.327 0.000 2.096 154 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 154 Q C 2.171 177.962 176.000 -0.347 0.000 0.982 154 Q CA 2.123 57.586 55.803 -0.567 0.000 0.850 154 Q CB -0.337 27.419 28.738 -1.636 0.000 0.901 154 Q HN 0.368 nan 8.270 nan 0.000 0.422 155 V N 1.456 121.253 119.914 -0.196 0.000 2.244 155 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 155 V C -0.901 175.258 176.094 0.107 0.000 1.042 155 V CA 2.001 64.335 62.300 0.056 0.000 1.006 155 V CB -1.772 30.154 31.823 0.172 0.000 0.641 155 V HN 0.340 nan 8.190 nan 0.000 0.446 156 P HA -0.113 nan 4.420 nan 0.000 0.222 156 P C 1.780 179.155 177.300 0.124 0.000 1.147 156 P CA 1.345 64.522 63.100 0.128 0.000 0.790 156 P CB 0.012 31.798 31.700 0.144 0.000 0.780 157 L N -1.349 119.941 121.223 0.111 0.000 2.395 157 L HA -0.048 4.292 4.340 -0.000 0.000 0.218 157 L C 2.469 179.442 176.870 0.171 0.000 1.130 157 L CA 0.176 55.089 54.840 0.122 0.000 0.826 157 L CB -0.904 41.212 42.059 0.095 0.000 0.941 157 L HN -0.102 nan 8.230 nan 0.000 0.451 158 L N 0.202 121.520 121.223 0.159 0.000 2.085 158 L HA -0.337 4.003 4.340 -0.000 0.000 0.218 158 L C 2.703 179.728 176.870 0.259 0.000 1.080 158 L CA 2.426 57.389 54.840 0.204 0.000 0.776 158 L CB -0.536 41.627 42.059 0.174 0.000 0.891 158 L HN 0.458 nan 8.230 nan 0.000 0.437 159 S N -3.186 112.657 115.700 0.238 0.000 2.461 159 S HA -0.046 4.424 4.470 -0.000 0.000 0.228 159 S C 1.886 176.686 174.600 0.334 0.000 1.005 159 S CA 0.829 59.203 58.200 0.290 0.000 0.942 159 S CB -0.524 62.851 63.200 0.292 0.000 0.776 159 S HN 0.227 nan 8.310 nan 0.000 0.514 160 V N 0.582 120.664 119.914 0.281 0.000 2.788 160 V HA 0.037 4.156 4.120 -0.000 0.000 0.251 160 V C 2.003 178.168 176.094 0.118 0.000 1.068 160 V CA 1.148 63.548 62.300 0.167 0.000 1.090 160 V CB -0.554 31.349 31.823 0.135 0.000 0.710 160 V HN 0.658 nan 8.190 nan 0.000 0.467 161 Y N 0.326 120.655 120.300 0.048 0.000 2.184 161 Y HA -0.150 4.400 4.550 -0.000 0.000 0.290 161 Y C 2.243 178.157 175.900 0.022 0.000 1.129 161 Y CA 2.080 60.175 58.100 -0.009 0.000 1.144 161 Y CB -0.330 38.157 38.460 0.045 0.000 0.995 161 Y HN 0.066 nan 8.280 nan 0.000 0.513 162 V N 0.961 121.145 119.914 0.450 0.000 2.490 162 V HA -0.290 3.830 4.120 -0.000 0.000 0.250 162 V C 2.251 178.532 176.094 0.311 0.000 1.061 162 V CA 2.039 64.594 62.300 0.425 0.000 1.064 162 V CB -0.585 31.461 31.823 0.371 0.000 0.670 162 V HN 0.462 nan 8.190 nan 0.000 0.461 163 Q N -0.503 119.428 119.800 0.220 0.000 2.187 163 Q HA 0.006 4.346 4.340 -0.000 0.000 0.199 163 Q C 2.395 178.573 176.000 0.296 0.000 0.957 163 Q CA 1.579 57.520 55.803 0.229 0.000 0.857 163 Q CB -0.323 28.461 28.738 0.077 0.000 0.929 163 Q HN 0.660 nan 8.270 nan 0.000 0.453 164 A N 1.049 123.913 122.820 0.073 0.000 1.855 164 A HA 0.049 4.368 4.320 -0.000 0.000 0.213 164 A C 2.341 179.758 177.584 -0.277 0.000 1.195 164 A CA 1.511 53.477 52.037 -0.119 0.000 0.610 164 A CB -0.713 18.111 19.000 -0.292 0.000 0.837 164 A HN 0.320 nan 8.150 nan 0.000 0.444 165 A N 0.594 123.138 122.820 -0.461 0.000 1.917 165 A HA -0.287 4.032 4.320 -0.000 0.000 0.219 165 A C 1.949 179.324 177.584 -0.348 0.000 1.182 165 A CA 2.414 54.035 52.037 -0.694 0.000 0.633 165 A CB -0.888 17.486 19.000 -1.042 0.000 0.819 165 A HN 0.668 nan 8.150 nan 0.000 0.448 166 N N -0.493 118.163 118.700 -0.072 0.000 2.120 166 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 166 N C 1.542 176.991 175.510 -0.101 0.000 1.024 166 N CA 1.620 54.708 53.050 0.063 0.000 0.852 166 N CB -0.353 38.404 38.487 0.450 0.000 1.003 166 N HN 0.298 nan 8.380 nan 0.000 0.424 167 L N 0.515 121.673 121.223 -0.107 0.000 2.017 167 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 167 L C 2.197 178.888 176.870 -0.299 0.000 1.073 167 L CA 1.914 56.557 54.840 -0.328 0.000 0.745 167 L CB -1.239 40.406 42.059 -0.689 0.000 0.894 167 L HN 0.410 nan 8.230 nan 0.000 0.432 168 H N -1.056 117.796 119.070 -0.364 0.000 2.290 168 H HA -0.188 4.368 4.556 -0.000 0.000 0.298 168 H C 2.274 177.436 175.328 -0.275 0.000 1.087 168 H CA 1.922 57.801 56.048 -0.281 0.000 1.291 168 H CB 0.033 29.697 29.762 -0.164 0.000 1.369 168 H HN 0.338 nan 8.280 nan 0.000 0.492 169 L N -0.308 120.720 121.223 -0.325 0.000 2.079 169 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 169 L C 2.907 179.377 176.870 -0.667 0.000 1.081 169 L CA 1.225 55.729 54.840 -0.561 0.000 0.752 169 L CB -0.525 41.068 42.059 -0.777 0.000 0.896 169 L HN 0.302 nan 8.230 nan 0.000 0.433 170 S N -0.108 115.158 115.700 -0.724 0.000 2.368 170 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 170 S C 1.964 176.549 174.600 -0.026 0.000 1.030 170 S CA 1.571 59.559 58.200 -0.353 0.000 0.999 170 S CB -0.230 62.931 63.200 -0.065 0.000 0.844 170 S HN 0.364 nan 8.310 nan 0.000 0.459 171 V N 0.071 119.976 119.914 -0.016 0.000 2.591 171 V HA 0.124 4.243 4.120 -0.000 0.000 0.249 171 V C 2.187 178.474 176.094 0.321 0.000 1.053 171 V CA 1.408 63.815 62.300 0.178 0.000 1.068 171 V CB -0.872 30.950 31.823 -0.003 0.000 0.689 171 V HN 0.509 nan 8.190 nan 0.000 0.462 172 L N -0.010 121.298 121.223 0.142 0.000 2.083 172 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 172 L C 3.040 179.962 176.870 0.087 0.000 1.083 172 L CA 1.868 56.781 54.840 0.121 0.000 0.752 172 L CB -0.654 41.348 42.059 -0.094 0.000 0.899 172 L HN 0.320 nan 8.230 nan 0.000 0.433 173 R N 0.249 120.787 120.500 0.063 0.000 2.189 173 R HA -0.155 4.185 4.340 -0.000 0.000 0.223 173 R C 1.432 177.810 176.300 0.131 0.000 1.092 173 R CA 1.307 57.471 56.100 0.107 0.000 0.989 173 R CB -0.244 30.163 30.300 0.178 0.000 0.876 173 R HN 0.350 nan 8.270 nan 0.000 0.457 174 D N -0.003 120.538 120.400 0.236 0.000 2.103 174 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 174 D C 1.994 178.321 176.300 0.045 0.000 0.978 174 D CA 1.692 55.923 54.000 0.385 0.000 0.829 174 D CB -0.035 41.195 40.800 0.716 0.000 0.981 174 D HN 0.180 nan 8.370 nan 0.000 0.464 175 V N -0.522 119.321 119.914 -0.118 0.000 2.307 175 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 175 V C 2.327 178.169 176.094 -0.419 0.000 1.045 175 V CA 1.617 63.565 62.300 -0.587 0.000 1.024 175 V CB -1.168 30.170 31.823 -0.808 0.000 0.651 175 V HN -0.022 nan 8.190 nan 0.000 0.449 176 S N 0.359 115.937 115.700 -0.202 0.000 2.428 176 S HA -0.172 4.298 4.470 -0.000 0.000 0.240 176 S C 1.761 176.232 174.600 -0.215 0.000 1.036 176 S CA 1.858 59.986 58.200 -0.120 0.000 1.009 176 S CB -0.373 62.875 63.200 0.081 0.000 0.803 176 S HN 0.522 nan 8.310 nan 0.000 0.486 177 V N -1.062 118.656 119.914 -0.327 0.000 2.690 177 V HA 0.176 4.296 4.120 -0.000 0.000 0.240 177 V C 0.961 176.632 176.094 -0.705 0.000 1.078 177 V CA 0.974 62.938 62.300 -0.559 0.000 1.102 177 V CB -0.332 30.998 31.823 -0.821 0.000 0.800 177 V HN 0.451 nan 8.190 nan 0.000 0.479 178 F N 0.869 120.545 119.950 -0.457 0.000 2.639 178 F HA 0.442 4.969 4.527 -0.000 0.000 0.302 178 F C 1.985 177.052 175.800 -1.222 0.000 1.097 178 F CA 0.383 57.957 58.000 -0.710 0.000 1.294 178 F CB -0.574 37.960 39.000 -0.778 0.000 1.027 178 F HN 0.103 nan 8.300 nan 0.000 0.550 179 G N 0.142 108.483 108.800 -0.765 0.000 2.421 179 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.216 179 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.216 179 G C 1.523 176.365 174.900 -0.096 0.000 1.171 179 G CA 0.672 45.486 45.100 -0.478 0.000 0.775 179 G HN 0.322 nan 8.290 nan 0.000 0.543 180 Q N -0.005 119.735 119.800 -0.100 0.000 2.030 180 Q HA -0.081 4.259 4.340 -0.000 0.000 0.204 180 Q C 2.655 178.690 176.000 0.058 0.000 0.986 180 Q CA 1.203 57.008 55.803 0.003 0.000 0.843 180 Q CB -0.190 28.537 28.738 -0.018 0.000 0.904 180 Q HN 0.376 nan 8.270 nan 0.000 0.420 181 R N -0.682 119.862 120.500 0.073 0.000 2.357 181 R HA -0.118 4.222 4.340 -0.000 0.000 0.202 181 R C 1.007 177.535 176.300 0.380 0.000 1.047 181 R CA 0.610 56.867 56.100 0.262 0.000 1.034 181 R CB 0.049 30.623 30.300 0.456 0.000 0.875 181 R HN 0.364 nan 8.270 nan 0.000 0.473 182 W N -0.784 120.484 121.300 -0.053 0.000 3.013 182 W HA 0.346 5.006 4.660 -0.000 0.000 0.280 182 W C 1.017 177.403 176.519 -0.222 0.000 1.249 182 W CA 0.416 57.605 57.345 -0.261 0.000 1.577 182 W CB 0.312 29.565 29.460 -0.345 0.000 1.057 182 W HN 0.210 nan 8.180 nan 0.000 0.613 183 G N -0.285 108.563 108.800 0.080 0.000 2.151 183 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.156 183 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.156 183 G C -0.420 174.410 174.900 -0.117 0.000 1.017 183 G CA -0.851 44.223 45.100 -0.043 0.000 0.686 183 G HN -0.034 nan 8.290 nan 0.000 0.503 184 F N 2.270 122.230 119.950 0.016 0.000 2.379 184 F HA 0.459 4.985 4.527 -0.000 0.000 0.332 184 F C 0.930 176.716 175.800 -0.023 0.000 1.096 184 F CA -0.769 57.225 58.000 -0.010 0.000 1.105 184 F CB 0.963 39.932 39.000 -0.052 0.000 1.189 184 F HN 0.241 nan 8.300 nan 0.000 0.515 185 D N 1.871 122.408 120.400 0.228 0.000 2.304 185 D HA 0.184 4.823 4.640 -0.000 0.000 0.250 185 D C 0.852 177.196 176.300 0.074 0.000 1.107 185 D CA -0.153 53.913 54.000 0.111 0.000 0.885 185 D CB 1.484 42.336 40.800 0.088 0.000 1.192 185 D HN 0.637 nan 8.370 nan 0.000 0.436 186 A N 2.813 125.652 122.820 0.032 0.000 2.054 186 A HA -0.210 4.110 4.320 -0.000 0.000 0.223 186 A C 2.136 179.718 177.584 -0.004 0.000 1.169 186 A CA 2.469 54.506 52.037 -0.001 0.000 0.655 186 A CB -0.773 18.221 19.000 -0.011 0.000 0.812 186 A HN 0.774 nan 8.150 nan 0.000 0.462 187 A N -0.745 122.083 122.820 0.013 0.000 1.929 187 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 187 A C 2.439 180.025 177.584 0.004 0.000 1.176 187 A CA 2.302 54.345 52.037 0.010 0.000 0.628 187 A CB -1.162 17.850 19.000 0.020 0.000 0.816 187 A HN 0.820 nan 8.150 nan 0.000 0.444 188 T N -1.630 112.930 114.554 0.009 0.000 2.770 188 T HA -0.012 4.338 4.350 -0.000 0.000 0.263 188 T C 1.858 176.495 174.700 -0.105 0.000 1.039 188 T CA 1.257 63.337 62.100 -0.033 0.000 1.142 188 T CB -0.591 68.260 68.868 -0.028 0.000 0.868 188 T HN 0.291 nan 8.240 nan 0.000 0.435 189 I N 2.033 122.532 120.570 -0.118 0.000 2.248 189 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 189 I C 2.884 178.961 176.117 -0.068 0.000 1.107 189 I CA 1.312 62.523 61.300 -0.149 0.000 1.373 189 I CB -0.518 37.407 38.000 -0.124 0.000 1.055 189 I HN 0.373 nan 8.210 nan 0.000 0.418 190 N N 0.170 118.847 118.700 -0.037 0.000 2.270 190 N HA -0.107 4.633 4.740 -0.000 0.000 0.181 190 N C 1.923 177.455 175.510 0.036 0.000 1.016 190 N CA 1.217 54.269 53.050 0.003 0.000 0.870 190 N CB 0.160 38.641 38.487 -0.010 0.000 0.979 190 N HN 0.234 nan 8.380 nan 0.000 0.431 191 S N 0.589 116.290 115.700 0.003 0.000 2.406 191 S HA 0.066 4.536 4.470 -0.000 0.000 0.228 191 S C 1.808 176.401 174.600 -0.012 0.000 1.020 191 S CA 0.477 58.677 58.200 -0.001 0.000 0.965 191 S CB 0.198 63.395 63.200 -0.006 0.000 0.798 191 S HN 0.272 nan 8.310 nan 0.000 0.488 192 R N 0.441 120.927 120.500 -0.023 0.000 2.066 192 R HA 0.020 4.360 4.340 -0.000 0.000 0.232 192 R C 1.958 178.241 176.300 -0.027 0.000 1.131 192 R CA 1.150 57.234 56.100 -0.026 0.000 0.955 192 R CB -1.106 29.154 30.300 -0.067 0.000 0.851 192 R HN 0.553 nan 8.270 nan 0.000 0.432 193 Y N 2.024 122.268 120.300 -0.092 0.000 2.333 193 Y HA -0.091 4.459 4.550 -0.000 0.000 0.290 193 Y C 1.844 177.700 175.900 -0.074 0.000 1.144 193 Y CA 1.270 59.321 58.100 -0.081 0.000 1.228 193 Y CB -0.183 38.228 38.460 -0.081 0.000 0.985 193 Y HN 0.075 nan 8.280 nan 0.000 0.542 194 N N -0.013 118.659 118.700 -0.045 0.000 2.354 194 N HA -0.149 4.591 4.740 -0.000 0.000 0.179 194 N C 0.959 176.363 175.510 -0.177 0.000 1.021 194 N CA 1.212 54.202 53.050 -0.100 0.000 0.887 194 N CB -0.054 38.426 38.487 -0.012 0.000 0.974 194 N HN 0.460 nan 8.380 nan 0.000 0.437 195 D N 1.200 121.500 120.400 -0.168 0.000 2.103 195 D HA -0.097 4.543 4.640 -0.000 0.000 0.199 195 D C 2.056 178.174 176.300 -0.303 0.000 0.978 195 D CA 0.318 54.197 54.000 -0.202 0.000 0.829 195 D CB -0.294 40.412 40.800 -0.158 0.000 0.981 195 D HN 0.109 nan 8.370 nan 0.000 0.464 196 L N 0.865 121.893 121.223 -0.324 0.000 2.043 196 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 196 L C 2.112 178.758 176.870 -0.374 0.000 1.075 196 L CA 1.803 56.427 54.840 -0.361 0.000 0.752 196 L CB -0.891 40.967 42.059 -0.336 0.000 0.891 196 L HN -0.052 nan 8.230 nan 0.000 0.432 197 T N -0.642 113.651 114.554 -0.436 0.000 2.770 197 T HA -0.165 4.185 4.350 -0.000 0.000 0.263 197 T C 2.001 176.556 174.700 -0.241 0.000 1.039 197 T CA 1.494 63.385 62.100 -0.348 0.000 1.142 197 T CB -0.198 68.438 68.868 -0.386 0.000 0.868 197 T HN 0.383 nan 8.240 nan 0.000 0.435 198 R N 0.438 120.795 120.500 -0.238 0.000 2.092 198 R HA 0.050 4.390 4.340 -0.000 0.000 0.231 198 R C 2.251 178.394 176.300 -0.262 0.000 1.119 198 R CA 1.037 57.018 56.100 -0.199 0.000 0.970 198 R CB -0.276 29.923 30.300 -0.170 0.000 0.864 198 R HN 0.360 nan 8.270 nan 0.000 0.440 199 L N 0.191 121.177 121.223 -0.394 0.000 2.095 199 L HA -0.089 4.250 4.340 -0.000 0.000 0.204 199 L C 2.464 179.014 176.870 -0.533 0.000 1.080 199 L CA 0.792 55.232 54.840 -0.667 0.000 0.759 199 L CB -0.348 41.126 42.059 -0.974 0.000 0.914 199 L HN 0.214 nan 8.230 nan 0.000 0.439 200 I N 0.306 120.681 120.570 -0.326 0.000 2.181 200 I HA -0.334 3.836 4.170 -0.000 0.000 0.247 200 I C 2.410 178.512 176.117 -0.025 0.000 1.081 200 I CA 1.807 63.036 61.300 -0.118 0.000 1.340 200 I CB -0.492 37.480 38.000 -0.048 0.000 1.036 200 I HN 0.333 nan 8.210 nan 0.000 0.417 201 G N -0.310 108.434 108.800 -0.094 0.000 2.396 201 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.214 201 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.214 201 G C 1.381 176.272 174.900 -0.015 0.000 1.166 201 G CA 0.354 45.413 45.100 -0.069 0.000 0.793 201 G HN 0.281 nan 8.290 nan 0.000 0.533 202 N N -0.101 118.564 118.700 -0.058 0.000 2.188 202 N HA -0.066 4.673 4.740 -0.000 0.000 0.184 202 N C 1.823 177.507 175.510 0.290 0.000 1.018 202 N CA 0.733 53.810 53.050 0.044 0.000 0.858 202 N CB -0.348 38.099 38.487 -0.067 0.000 0.989 202 N HN 0.285 nan 8.380 nan 0.000 0.426 203 Y N 1.564 121.974 120.300 0.182 0.000 2.133 203 Y HA -0.047 4.503 4.550 -0.000 0.000 0.287 203 Y C 2.628 178.810 175.900 0.469 0.000 1.134 203 Y CA 0.718 59.030 58.100 0.355 0.000 1.133 203 Y CB -1.153 37.414 38.460 0.178 0.000 0.987 203 Y HN 0.025 nan 8.280 nan 0.000 0.502 204 T N 0.324 115.207 114.554 0.548 0.000 2.635 204 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 204 T C 1.433 176.282 174.700 0.247 0.000 1.040 204 T CA 1.939 64.257 62.100 0.364 0.000 1.156 204 T CB -0.417 68.522 68.868 0.118 0.000 0.863 204 T HN 0.263 nan 8.240 nan 0.000 0.430 205 D N -0.340 120.169 120.400 0.182 0.000 2.144 205 D HA -0.062 4.578 4.640 -0.000 0.000 0.199 205 D C 1.677 178.112 176.300 0.225 0.000 0.984 205 D CA 0.866 54.957 54.000 0.151 0.000 0.834 205 D CB -0.440 40.420 40.800 0.100 0.000 0.955 205 D HN 0.493 nan 8.370 nan 0.000 0.465 206 Y N 1.593 122.018 120.300 0.209 0.000 2.114 206 Y HA -0.173 4.377 4.550 -0.000 0.000 0.284 206 Y C 2.308 178.337 175.900 0.216 0.000 1.143 206 Y CA 1.931 60.164 58.100 0.221 0.000 1.135 206 Y CB -0.410 38.181 38.460 0.219 0.000 0.980 206 Y HN -0.051 nan 8.280 nan 0.000 0.499 207 A N -0.361 122.701 122.820 0.403 0.000 1.892 207 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 207 A C 2.310 180.010 177.584 0.193 0.000 1.188 207 A CA 2.345 54.551 52.037 0.282 0.000 0.631 207 A CB -1.427 17.768 19.000 0.325 0.000 0.822 207 A HN 0.372 nan 8.150 nan 0.000 0.447 208 V N 0.114 120.131 119.914 0.171 0.000 2.515 208 V HA -0.210 3.910 4.120 -0.000 0.000 0.250 208 V C 2.647 178.798 176.094 0.095 0.000 1.058 208 V CA 2.084 64.475 62.300 0.151 0.000 1.064 208 V CB -0.817 31.111 31.823 0.176 0.000 0.675 208 V HN 0.668 nan 8.190 nan 0.000 0.461 209 R N -1.109 119.361 120.500 -0.050 0.000 2.075 209 R HA -0.178 4.162 4.340 -0.000 0.000 0.232 209 R C 2.122 178.130 176.300 -0.485 0.000 1.126 209 R CA 1.974 57.894 56.100 -0.301 0.000 0.963 209 R CB -0.275 29.749 30.300 -0.461 0.000 0.858 209 R HN 0.569 nan 8.270 nan 0.000 0.435 210 W N -0.423 120.772 121.300 -0.176 0.000 2.476 210 W HA -0.085 4.575 4.660 -0.000 0.000 0.281 210 W C 2.035 178.564 176.519 0.017 0.000 1.230 210 W CA 0.441 57.685 57.345 -0.169 0.000 1.287 210 W CB -0.378 28.850 29.460 -0.386 0.000 1.108 210 W HN 0.182 nan 8.180 nan 0.000 0.567 211 Y N 1.957 122.357 120.300 0.167 0.000 2.114 211 Y HA -0.279 4.271 4.550 -0.000 0.000 0.284 211 Y C 2.066 178.079 175.900 0.188 0.000 1.143 211 Y CA 2.045 60.285 58.100 0.233 0.000 1.135 211 Y CB -0.798 37.748 38.460 0.144 0.000 0.980 211 Y HN -0.206 nan 8.280 nan 0.000 0.499 212 N N -0.491 118.298 118.700 0.149 0.000 2.364 212 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 212 N C 1.593 177.023 175.510 -0.133 0.000 1.022 212 N CA 1.656 54.701 53.050 -0.009 0.000 0.883 212 N CB -0.429 38.085 38.487 0.046 0.000 0.965 212 N HN 0.440 nan 8.380 nan 0.000 0.438 213 T N -0.905 113.564 114.554 -0.141 0.000 2.976 213 T HA 0.058 4.407 4.350 -0.000 0.000 0.257 213 T C 1.852 176.477 174.700 -0.124 0.000 1.051 213 T CA 1.012 63.025 62.100 -0.146 0.000 1.141 213 T CB -0.261 68.473 68.868 -0.224 0.000 0.881 213 T HN 0.323 nan 8.240 nan 0.000 0.461 214 G N 1.575 110.296 108.800 -0.130 0.000 2.404 214 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.215 214 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.215 214 G C 1.504 175.939 174.900 -0.776 0.000 1.174 214 G CA 0.159 45.056 45.100 -0.338 0.000 0.780 214 G HN 0.385 nan 8.290 nan 0.000 0.537 215 L N 1.187 121.854 121.223 -0.927 0.000 2.089 215 L HA -0.160 4.180 4.340 -0.000 0.000 0.213 215 L C 3.023 179.749 176.870 -0.239 0.000 1.079 215 L CA 2.531 56.892 54.840 -0.799 0.000 0.758 215 L CB -0.370 41.347 42.059 -0.571 0.000 0.891 215 L HN 0.659 nan 8.230 nan 0.000 0.433 216 E N -1.095 119.018 120.200 -0.145 0.000 2.299 216 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 216 E C 2.031 178.642 176.600 0.018 0.000 0.998 216 E CA 0.077 56.483 56.400 0.010 0.000 0.851 216 E CB -0.159 29.518 29.700 -0.039 0.000 0.795 216 E HN 0.431 nan 8.360 nan 0.000 0.492 217 R N 0.567 121.018 120.500 -0.081 0.000 2.189 217 R HA 0.020 4.360 4.340 -0.000 0.000 0.218 217 R C 1.941 178.218 176.300 -0.039 0.000 1.074 217 R CA 0.906 56.972 56.100 -0.055 0.000 0.991 217 R CB 0.153 30.401 30.300 -0.086 0.000 0.883 217 R HN 0.098 nan 8.270 nan 0.000 0.457 218 V N 0.062 119.931 119.914 -0.076 0.000 3.235 218 V HA -0.050 4.070 4.120 -0.000 0.000 0.259 218 V C 0.800 176.972 176.094 0.129 0.000 1.133 218 V CA 0.025 62.308 62.300 -0.028 0.000 1.128 218 V CB -0.174 31.540 31.823 -0.181 0.000 0.757 218 V HN 0.368 nan 8.190 nan 0.000 0.469 219 W N 1.360 122.681 121.300 0.035 0.000 2.158 219 W HA 0.460 5.120 4.660 -0.000 0.000 0.339 219 W C 0.238 176.713 176.519 -0.073 0.000 1.294 219 W CA 1.046 58.344 57.345 -0.079 0.000 1.231 219 W CB 0.707 30.048 29.460 -0.198 0.000 1.143 219 W HN 0.150 nan 8.180 nan 0.000 0.571 220 G N 4.488 112.691 108.800 -0.994 0.000 2.649 220 G HA2 0.372 4.332 3.960 -0.000 0.000 0.290 220 G HA3 0.372 4.332 3.960 -0.000 0.000 0.290 220 G C -2.585 171.807 174.900 -0.846 0.000 1.426 220 G CA -0.750 43.983 45.100 -0.611 0.000 0.794 220 G HN 0.195 nan 8.290 nan 0.000 0.483 221 P HA 0.106 nan 4.420 nan 0.000 0.217 221 P C -0.226 176.969 177.300 -0.175 0.000 1.153 221 P CA 0.644 63.621 63.100 -0.205 0.000 0.843 221 P CB 0.371 32.037 31.700 -0.057 0.000 0.794 222 D N 0.060 120.375 120.400 -0.141 0.000 2.398 222 D HA 0.022 4.662 4.640 -0.000 0.000 0.247 222 D C 1.617 177.884 176.300 -0.055 0.000 1.227 222 D CA 0.048 54.006 54.000 -0.069 0.000 0.980 222 D CB 0.444 41.214 40.800 -0.050 0.000 1.106 222 D HN 0.049 nan 8.370 nan 0.000 0.493 223 S N -0.087 115.634 115.700 0.035 0.000 2.423 223 S HA -0.170 4.300 4.470 -0.000 0.000 0.231 223 S C 1.723 176.408 174.600 0.141 0.000 1.014 223 S CA 0.699 58.964 58.200 0.110 0.000 0.965 223 S CB -0.094 63.235 63.200 0.215 0.000 0.785 223 S HN 0.396 nan 8.310 nan 0.000 0.495 224 R N 1.288 121.820 120.500 0.054 0.000 2.096 224 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 224 R C 1.568 177.880 176.300 0.021 0.000 1.127 224 R CA 1.910 58.025 56.100 0.025 0.000 0.968 224 R CB -0.309 29.963 30.300 -0.047 0.000 0.861 224 R HN 0.504 nan 8.270 nan 0.000 0.440 225 D N -0.971 119.407 120.400 -0.038 0.000 2.144 225 D HA -0.207 4.433 4.640 -0.000 0.000 0.200 225 D C 1.471 177.729 176.300 -0.070 0.000 0.978 225 D CA 0.979 54.916 54.000 -0.105 0.000 0.833 225 D CB -0.321 40.322 40.800 -0.262 0.000 0.961 225 D HN 0.376 nan 8.370 nan 0.000 0.470 226 W N 1.834 123.006 121.300 -0.213 0.000 2.363 226 W HA -0.175 4.485 4.660 -0.000 0.000 0.296 226 W C 1.996 178.566 176.519 0.084 0.000 1.212 226 W CA 0.893 58.169 57.345 -0.115 0.000 1.260 226 W CB -0.082 29.296 29.460 -0.137 0.000 1.131 226 W HN -0.274 nan 8.180 nan 0.000 0.530 227 V N 1.074 121.151 119.914 0.272 0.000 2.515 227 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 227 V C 2.447 178.523 176.094 -0.030 0.000 1.058 227 V CA 2.257 64.644 62.300 0.146 0.000 1.064 227 V CB -0.895 31.067 31.823 0.232 0.000 0.675 227 V HN 0.236 nan 8.190 nan 0.000 0.461 228 R N -1.052 119.446 120.500 -0.004 0.000 2.075 228 R HA -0.162 4.178 4.340 -0.000 0.000 0.226 228 R C 2.404 178.713 176.300 0.014 0.000 1.114 228 R CA 1.553 57.656 56.100 0.006 0.000 0.972 228 R CB -0.431 29.876 30.300 0.011 0.000 0.869 228 R HN 0.544 nan 8.270 nan 0.000 0.437 229 Y N 1.558 121.759 120.300 -0.165 0.000 2.070 229 Y HA -0.288 4.262 4.550 -0.000 0.000 0.280 229 Y C 2.078 177.874 175.900 -0.172 0.000 1.148 229 Y CA 2.397 60.407 58.100 -0.149 0.000 1.125 229 Y CB -0.644 37.724 38.460 -0.153 0.000 0.975 229 Y HN 0.183 nan 8.280 nan 0.000 0.492 230 N N -0.078 118.390 118.700 -0.387 0.000 2.223 230 N HA -0.226 4.514 4.740 -0.000 0.000 0.185 230 N C 1.956 177.347 175.510 -0.198 0.000 1.016 230 N CA 1.610 54.388 53.050 -0.454 0.000 0.863 230 N CB -0.345 37.572 38.487 -0.949 0.000 0.983 230 N HN 0.596 nan 8.380 nan 0.000 0.429 231 Q N -1.328 118.393 119.800 -0.133 0.000 2.119 231 Q HA -0.138 4.202 4.340 -0.000 0.000 0.201 231 Q C 1.679 177.671 176.000 -0.014 0.000 0.972 231 Q CA 0.974 56.747 55.803 -0.051 0.000 0.847 231 Q CB -0.156 28.568 28.738 -0.025 0.000 0.903 231 Q HN 0.500 nan 8.270 nan 0.000 0.433 232 F N 1.349 121.211 119.950 -0.145 0.000 2.075 232 F HA -0.218 4.309 4.527 -0.000 0.000 0.297 232 F C 2.502 178.239 175.800 -0.105 0.000 1.113 232 F CA 1.875 59.796 58.000 -0.131 0.000 1.218 232 F CB -0.260 38.633 39.000 -0.179 0.000 0.984 232 F HN -0.055 nan 8.300 nan 0.000 0.472 233 R N 0.574 121.142 120.500 0.115 0.000 2.105 233 R HA -0.230 4.110 4.340 -0.000 0.000 0.239 233 R C 2.515 178.841 176.300 0.043 0.000 1.135 233 R CA 1.862 58.034 56.100 0.121 0.000 0.967 233 R CB -0.502 29.799 30.300 0.001 0.000 0.861 233 R HN 0.352 nan 8.270 nan 0.000 0.442 234 R N 0.484 120.970 120.500 -0.024 0.000 2.061 234 R HA -0.106 4.234 4.340 -0.000 0.000 0.230 234 R C 2.068 178.317 176.300 -0.086 0.000 1.140 234 R CA 1.918 57.989 56.100 -0.049 0.000 0.940 234 R CB -0.110 30.159 30.300 -0.052 0.000 0.839 234 R HN 0.366 nan 8.270 nan 0.000 0.429 235 E N 0.303 120.428 120.200 -0.124 0.000 2.077 235 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 235 E C 1.935 178.433 176.600 -0.170 0.000 0.989 235 E CA 1.037 57.344 56.400 -0.155 0.000 0.800 235 E CB -0.076 29.521 29.700 -0.172 0.000 0.746 235 E HN 0.239 nan 8.360 nan 0.000 0.452 236 L N 0.798 121.877 121.223 -0.240 0.000 2.549 236 L HA -0.090 4.250 4.340 -0.000 0.000 0.229 236 L C 2.183 179.013 176.870 -0.066 0.000 1.158 236 L CA 1.195 55.928 54.840 -0.179 0.000 0.842 236 L CB -0.137 41.728 42.059 -0.323 0.000 0.952 236 L HN 0.080 nan 8.230 nan 0.000 0.452 237 T N -1.358 113.158 114.554 -0.063 0.000 2.894 237 T HA -0.024 4.326 4.350 -0.000 0.000 0.258 237 T C 1.739 176.408 174.700 -0.051 0.000 1.043 237 T CA 0.543 62.591 62.100 -0.087 0.000 1.141 237 T CB -0.006 68.832 68.868 -0.050 0.000 0.873 237 T HN 0.021 nan 8.240 nan 0.000 0.449 238 L N 1.717 122.918 121.223 -0.037 0.000 2.131 238 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 238 L C 2.632 179.495 176.870 -0.013 0.000 1.092 238 L CA 1.761 56.595 54.840 -0.010 0.000 0.759 238 L CB -0.786 41.247 42.059 -0.044 0.000 0.903 238 L HN 0.465 nan 8.230 nan 0.000 0.435 239 T N -7.258 107.274 114.554 -0.037 0.000 2.985 239 T HA 0.205 4.555 4.350 -0.000 0.000 0.254 239 T C 1.311 176.034 174.700 0.038 0.000 1.021 239 T CA 0.546 62.643 62.100 -0.005 0.000 0.957 239 T CB 0.273 69.106 68.868 -0.058 0.000 1.047 239 T HN -0.026 nan 8.240 nan 0.000 0.511 240 V N 0.580 120.493 119.914 -0.001 0.000 3.264 240 V HA 0.335 4.455 4.120 -0.000 0.000 0.217 240 V C 2.334 178.384 176.094 -0.073 0.000 1.236 240 V CA 0.097 62.405 62.300 0.013 0.000 1.287 240 V CB -0.402 31.454 31.823 0.056 0.000 1.241 240 V HN 0.259 nan 8.190 nan 0.000 0.518 241 L N 0.570 121.705 121.223 -0.146 0.000 2.081 241 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 241 L C 2.126 178.897 176.870 -0.166 0.000 1.080 241 L CA 1.899 56.614 54.840 -0.208 0.000 0.754 241 L CB -0.755 41.103 42.059 -0.334 0.000 0.893 241 L HN 0.407 nan 8.230 nan 0.000 0.433 242 D N -0.141 120.191 120.400 -0.113 0.000 2.218 242 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 242 D C 2.159 178.400 176.300 -0.098 0.000 0.976 242 D CA 0.898 54.844 54.000 -0.090 0.000 0.853 242 D CB 0.085 40.869 40.800 -0.025 0.000 0.939 242 D HN 0.192 nan 8.370 nan 0.000 0.481 243 I N 0.037 120.548 120.570 -0.099 0.000 2.277 243 I HA -0.124 4.046 4.170 -0.000 0.000 0.243 243 I C 2.453 178.326 176.117 -0.406 0.000 1.094 243 I CA 0.517 61.755 61.300 -0.102 0.000 1.393 243 I CB -1.167 36.835 38.000 0.003 0.000 1.078 243 I HN -0.069 nan 8.210 nan 0.000 0.417 244 V N 1.924 121.485 119.914 -0.587 0.000 2.324 244 V HA -0.317 3.803 4.120 -0.000 0.000 0.250 244 V C 2.899 178.747 176.094 -0.410 0.000 1.060 244 V CA 1.995 63.775 62.300 -0.866 0.000 1.042 244 V CB -1.145 30.447 31.823 -0.385 0.000 0.650 244 V HN 0.483 nan 8.190 nan 0.000 0.450 245 A N -0.480 122.211 122.820 -0.214 0.000 1.978 245 A HA -0.172 4.147 4.320 -0.000 0.000 0.220 245 A C 2.078 179.605 177.584 -0.095 0.000 1.170 245 A CA 1.854 53.823 52.037 -0.113 0.000 0.636 245 A CB -0.484 18.434 19.000 -0.137 0.000 0.810 245 A HN 0.577 nan 8.150 nan 0.000 0.448 246 L N -1.655 119.516 121.223 -0.087 0.000 2.558 246 L HA 0.041 4.381 4.340 -0.000 0.000 0.225 246 L C 1.885 178.823 176.870 0.114 0.000 1.128 246 L CA -0.155 54.652 54.840 -0.055 0.000 0.868 246 L CB -0.380 41.699 42.059 0.033 0.000 1.006 246 L HN 0.210 nan 8.230 nan 0.000 0.454 247 F N 0.832 120.850 119.950 0.113 0.000 2.154 247 F HA -0.237 4.290 4.527 -0.000 0.000 0.301 247 F C 2.709 178.594 175.800 0.141 0.000 1.087 247 F CA 1.048 59.210 58.000 0.270 0.000 1.274 247 F CB -1.205 37.953 39.000 0.263 0.000 1.009 247 F HN 0.042 nan 8.300 nan 0.000 0.485 248 S N -0.214 115.597 115.700 0.185 0.000 2.419 248 S HA -0.215 4.255 4.470 -0.000 0.000 0.235 248 S C 1.569 176.130 174.600 -0.065 0.000 1.019 248 S CA 1.129 59.369 58.200 0.067 0.000 0.982 248 S CB -0.706 62.508 63.200 0.022 0.000 0.789 248 S HN 0.534 nan 8.310 nan 0.000 0.490 249 N N -0.360 118.093 118.700 -0.413 0.000 2.550 249 N HA -0.027 4.713 4.740 -0.000 0.000 0.186 249 N C 0.567 175.866 175.510 -0.353 0.000 1.110 249 N CA 0.401 52.926 53.050 -0.876 0.000 0.912 249 N CB -0.065 37.371 38.487 -1.751 0.000 0.968 249 N HN 0.404 nan 8.380 nan 0.000 0.448 250 Y N 0.970 121.354 120.300 0.140 0.000 2.561 250 Y HA -0.016 4.534 4.550 -0.000 0.000 0.291 250 Y C 0.923 176.924 175.900 0.168 0.000 1.141 250 Y CA 0.082 58.330 58.100 0.246 0.000 1.303 250 Y CB -0.097 38.468 38.460 0.174 0.000 1.015 250 Y HN -0.018 nan 8.280 nan 0.000 0.547 251 D N 0.487 121.065 120.400 0.297 0.000 2.385 251 D HA -0.046 4.594 4.640 -0.000 0.000 0.260 251 D C 1.229 177.717 176.300 0.314 0.000 1.326 251 D CA 0.495 54.649 54.000 0.258 0.000 1.023 251 D CB 0.549 41.490 40.800 0.234 0.000 1.083 251 D HN 0.345 nan 8.370 nan 0.000 0.517 252 S N 3.867 119.752 115.700 0.307 0.000 2.400 252 S HA -0.214 4.256 4.470 -0.000 0.000 0.232 252 S C 1.729 176.391 174.600 0.103 0.000 1.025 252 S CA 0.668 58.988 58.200 0.200 0.000 0.993 252 S CB -0.024 63.256 63.200 0.133 0.000 0.808 252 S HN 0.500 nan 8.310 nan 0.000 0.478 253 R N 0.595 121.163 120.500 0.113 0.000 2.153 253 R HA 0.195 4.535 4.340 -0.000 0.000 0.218 253 R C 2.688 178.945 176.300 -0.071 0.000 1.072 253 R CA 0.991 57.052 56.100 -0.065 0.000 0.990 253 R CB -0.197 29.952 30.300 -0.251 0.000 0.889 253 R HN 0.414 nan 8.270 nan 0.000 0.452 254 R N -0.248 120.211 120.500 -0.070 0.000 2.100 254 R HA -0.010 4.330 4.340 -0.000 0.000 0.220 254 R C -0.025 175.947 176.300 -0.546 0.000 1.091 254 R CA 0.933 56.837 56.100 -0.327 0.000 0.986 254 R CB 0.423 30.480 30.300 -0.406 0.000 0.888 254 R HN 0.126 nan 8.270 nan 0.000 0.444 255 Y N -0.607 119.702 120.300 0.015 0.000 2.638 255 Y HA 0.343 4.893 4.550 -0.000 0.000 0.367 255 Y C -2.017 173.892 175.900 0.014 0.000 1.001 255 Y CA -2.463 55.635 58.100 -0.004 0.000 1.133 255 Y CB 1.381 39.808 38.460 -0.056 0.000 1.199 255 Y HN 0.082 nan 8.280 nan 0.000 0.642 256 P HA -0.172 nan 4.420 nan 0.000 0.218 256 P C 0.354 177.693 177.300 0.066 0.000 1.148 256 P CA 1.625 64.749 63.100 0.040 0.000 0.822 256 P CB 0.395 32.093 31.700 -0.004 0.000 0.784 257 I N -5.052 115.573 120.570 0.092 0.000 3.709 257 I HA 0.446 4.616 4.170 -0.000 0.000 0.274 257 I C 0.446 176.638 176.117 0.126 0.000 1.240 257 I CA -1.902 59.456 61.300 0.098 0.000 1.076 257 I CB 0.754 38.801 38.000 0.080 0.000 1.389 257 I HN -0.483 nan 8.210 nan 0.000 0.529 258 R N 1.331 121.900 120.500 0.115 0.000 2.473 258 R HA 0.112 4.452 4.340 -0.000 0.000 0.315 258 R C -0.453 175.906 176.300 0.098 0.000 0.972 258 R CA 0.312 56.482 56.100 0.117 0.000 1.047 258 R CB 0.089 30.448 30.300 0.098 0.000 0.932 258 R HN 0.783 nan 8.270 nan 0.000 0.411 259 T N 2.842 117.434 114.554 0.064 0.000 2.859 259 T HA 0.453 4.803 4.350 -0.000 0.000 0.281 259 T C -0.936 173.713 174.700 -0.084 0.000 1.005 259 T CA -0.665 61.419 62.100 -0.028 0.000 1.025 259 T CB 1.177 69.936 68.868 -0.181 0.000 0.977 259 T HN 0.276 nan 8.240 nan 0.000 0.458 260 V N 4.953 124.825 119.914 -0.070 0.000 2.409 260 V HA 0.450 4.569 4.120 -0.000 0.000 0.290 260 V C 0.211 176.242 176.094 -0.104 0.000 1.017 260 V CA -0.742 61.514 62.300 -0.073 0.000 0.841 260 V CB 1.467 33.277 31.823 -0.022 0.000 1.003 260 V HN 1.045 nan 8.190 nan 0.000 0.426 261 S N 3.928 119.537 115.700 -0.152 0.000 2.713 261 S HA 0.664 5.134 4.470 -0.000 0.000 0.277 261 S C -0.579 173.942 174.600 -0.131 0.000 1.168 261 S CA -0.809 57.298 58.200 -0.156 0.000 0.994 261 S CB 1.190 64.263 63.200 -0.212 0.000 1.054 261 S HN 0.761 nan 8.310 nan 0.000 0.555 262 Q N 0.552 120.273 119.800 -0.131 0.000 2.271 262 Q HA 0.421 4.761 4.340 -0.000 0.000 0.268 262 Q C -1.680 174.232 176.000 -0.147 0.000 1.021 262 Q CA -0.315 55.411 55.803 -0.127 0.000 0.802 262 Q CB 1.849 30.543 28.738 -0.073 0.000 1.282 262 Q HN 0.458 nan 8.270 nan 0.000 0.431 263 L N 1.938 123.040 121.223 -0.203 0.000 2.264 263 L HA 0.371 4.711 4.340 -0.000 0.000 0.289 263 L C 1.081 177.906 176.870 -0.075 0.000 1.044 263 L CA -0.143 54.590 54.840 -0.178 0.000 0.807 263 L CB 1.146 43.024 42.059 -0.301 0.000 1.192 263 L HN 0.808 nan 8.230 nan 0.000 0.425 264 T N -1.884 112.639 114.554 -0.051 0.000 3.044 264 T HA 0.098 4.448 4.350 -0.000 0.000 0.260 264 T C 0.792 175.496 174.700 0.007 0.000 1.019 264 T CA -0.640 61.455 62.100 -0.009 0.000 0.921 264 T CB 0.041 68.898 68.868 -0.019 0.000 1.053 264 T HN 0.468 nan 8.240 nan 0.000 0.533 265 R N 1.815 122.313 120.500 -0.004 0.000 2.774 265 R HA 0.390 4.730 4.340 -0.000 0.000 0.269 265 R C -0.907 175.425 176.300 0.054 0.000 1.068 265 R CA 0.027 56.132 56.100 0.008 0.000 1.180 265 R CB 0.029 30.316 30.300 -0.022 0.000 1.077 265 R HN 0.427 nan 8.270 nan 0.000 0.513 266 E N 1.085 121.302 120.200 0.029 0.000 2.238 266 E HA 0.446 4.796 4.350 -0.000 0.000 0.267 266 E C -0.507 175.911 176.600 -0.304 0.000 0.887 266 E CA -0.851 55.545 56.400 -0.007 0.000 0.769 266 E CB 2.047 31.796 29.700 0.081 0.000 1.187 266 E HN 0.646 nan 8.360 nan 0.000 0.416 267 I N -1.026 119.427 120.570 -0.196 0.000 2.562 267 I HA 0.553 4.723 4.170 -0.000 0.000 0.301 267 I C -1.110 174.854 176.117 -0.256 0.000 1.003 267 I CA -0.968 60.133 61.300 -0.331 0.000 1.127 267 I CB 0.884 38.836 38.000 -0.079 0.000 1.304 267 I HN 0.381 nan 8.210 nan 0.000 0.446 268 Y N 1.751 122.245 120.300 0.323 0.000 2.509 268 Y HA 0.755 5.305 4.550 -0.000 0.000 0.341 268 Y C 0.426 176.556 175.900 0.384 0.000 1.038 268 Y CA -0.951 57.395 58.100 0.409 0.000 1.089 268 Y CB 2.010 40.700 38.460 0.383 0.000 1.241 268 Y HN 0.707 nan 8.280 nan 0.000 0.468 269 T N -0.912 114.038 114.554 0.660 0.000 2.900 269 T HA 0.477 4.827 4.350 -0.000 0.000 0.295 269 T C -1.146 173.865 174.700 0.519 0.000 1.044 269 T CA -0.921 61.474 62.100 0.492 0.000 0.995 269 T CB 1.881 71.004 68.868 0.425 0.000 1.072 269 T HN 0.618 nan 8.240 nan 0.000 0.473 270 N N 2.371 121.323 118.700 0.420 0.000 2.675 270 N HA 0.319 5.059 4.740 -0.000 0.000 0.254 270 N C -2.415 173.249 175.510 0.257 0.000 1.224 270 N CA -1.838 51.418 53.050 0.344 0.000 0.777 270 N CB 1.837 40.513 38.487 0.315 0.000 1.256 270 N HN 0.260 nan 8.380 nan 0.000 0.531 271 P HA -0.175 nan 4.420 nan 0.000 0.216 271 P C 1.510 178.909 177.300 0.165 0.000 1.157 271 P CA 0.977 64.159 63.100 0.137 0.000 0.880 271 P CB 0.577 32.317 31.700 0.067 0.000 0.791 272 V N -1.198 118.798 119.914 0.135 0.000 2.407 272 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 272 V C 2.346 178.616 176.094 0.292 0.000 1.055 272 V CA 1.615 64.015 62.300 0.167 0.000 1.049 272 V CB -0.959 30.885 31.823 0.034 0.000 0.662 272 V HN 0.100 nan 8.190 nan 0.000 0.455 273 L N -0.902 120.453 121.223 0.220 0.000 2.354 273 L HA 0.048 4.387 4.340 -0.000 0.000 0.212 273 L C 2.330 179.379 176.870 0.298 0.000 1.091 273 L CA 0.754 55.749 54.840 0.257 0.000 0.828 273 L CB -0.236 41.926 42.059 0.171 0.000 0.973 273 L HN 0.343 nan 8.230 nan 0.000 0.461 274 E N 0.017 120.381 120.200 0.273 0.000 2.371 274 E HA -0.029 4.321 4.350 -0.000 0.000 0.194 274 E C 0.711 177.415 176.600 0.174 0.000 1.012 274 E CA 0.337 56.869 56.400 0.220 0.000 0.860 274 E CB 0.197 30.014 29.700 0.195 0.000 0.811 274 E HN 0.456 nan 8.360 nan 0.000 0.502 275 N N 0.377 119.216 118.700 0.231 0.000 2.238 275 N HA 0.026 4.766 4.740 -0.000 0.000 0.222 275 N C -0.678 174.943 175.510 0.184 0.000 1.133 275 N CA -0.055 53.122 53.050 0.212 0.000 0.854 275 N CB 0.399 39.038 38.487 0.253 0.000 1.041 275 N HN 0.012 nan 8.380 nan 0.000 0.510 276 F N 2.539 122.442 119.950 -0.078 0.000 2.411 276 F HA 0.223 4.750 4.527 -0.000 0.000 0.355 276 F C 1.376 176.968 175.800 -0.347 0.000 1.117 276 F CA -1.060 56.694 58.000 -0.410 0.000 1.139 276 F CB 0.633 39.451 39.000 -0.303 0.000 1.120 276 F HN -0.071 nan 8.300 nan 0.000 0.493 277 D N 3.452 123.333 120.400 -0.864 0.000 2.315 277 D HA -0.113 4.527 4.640 -0.000 0.000 0.211 277 D C 0.929 176.653 176.300 -0.961 0.000 0.977 277 D CA 1.243 54.794 54.000 -0.749 0.000 0.894 277 D CB 0.299 40.760 40.800 -0.565 0.000 0.910 277 D HN 0.699 nan 8.370 nan 0.000 0.490 278 G N -0.921 106.777 108.800 -1.837 0.000 3.217 278 G HA2 0.423 4.383 3.960 -0.000 0.000 0.213 278 G HA3 0.423 4.383 3.960 -0.000 0.000 0.213 278 G C -1.209 173.221 174.900 -0.783 0.000 1.294 278 G CA -0.194 44.144 45.100 -1.271 0.000 0.987 278 G HN 0.075 nan 8.290 nan 0.000 0.584 279 S N -1.006 114.404 115.700 -0.485 0.000 2.668 279 S HA 0.573 5.043 4.470 -0.000 0.000 0.277 279 S C -1.634 172.808 174.600 -0.263 0.000 1.170 279 S CA -0.706 57.342 58.200 -0.254 0.000 0.994 279 S CB 0.561 63.663 63.200 -0.164 0.000 1.051 279 S HN 0.357 nan 8.310 nan 0.000 0.484 280 F N 4.504 124.437 119.950 -0.027 0.000 2.434 280 F HA 0.435 4.962 4.527 -0.000 0.000 0.358 280 F C 1.519 177.285 175.800 -0.057 0.000 1.136 280 F CA -0.624 57.324 58.000 -0.087 0.000 1.157 280 F CB 0.588 39.489 39.000 -0.166 0.000 1.167 280 F HN 0.355 nan 8.300 nan 0.000 0.539 281 R N 1.801 122.356 120.500 0.092 0.000 2.585 281 R HA 0.108 4.448 4.340 -0.000 0.000 0.275 281 R C 1.227 177.558 176.300 0.052 0.000 1.018 281 R CA 0.762 56.889 56.100 0.045 0.000 1.072 281 R CB 0.004 30.321 30.300 0.030 0.000 0.953 281 R HN 1.015 nan 8.270 nan 0.000 0.419 282 G N 2.557 111.366 108.800 0.016 0.000 2.233 282 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.270 282 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.270 282 G C 0.525 175.429 174.900 0.006 0.000 1.011 282 G CA 0.759 45.865 45.100 0.010 0.000 0.762 282 G HN 0.665 nan 8.290 nan 0.000 0.511 283 M N -0.384 119.214 119.600 -0.004 0.000 2.428 283 M HA 0.467 4.947 4.480 -0.000 0.000 0.239 283 M C 2.412 178.656 176.300 -0.093 0.000 1.121 283 M CA 1.148 56.423 55.300 -0.042 0.000 1.019 283 M CB -0.002 32.573 32.600 -0.042 0.000 1.485 283 M HN 0.436 nan 8.290 nan 0.000 0.484 284 A N 0.567 123.329 122.820 -0.097 0.000 1.865 284 A HA -0.262 4.057 4.320 -0.000 0.000 0.217 284 A C 1.861 179.471 177.584 0.043 0.000 1.191 284 A CA 2.046 53.998 52.037 -0.142 0.000 0.623 284 A CB -0.750 17.969 19.000 -0.468 0.000 0.826 284 A HN 0.554 nan 8.150 nan 0.000 0.444 285 Q N -0.211 119.693 119.800 0.172 0.000 2.077 285 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 285 Q C 2.234 178.292 176.000 0.096 0.000 0.989 285 Q CA 2.196 58.149 55.803 0.250 0.000 0.853 285 Q CB -0.295 28.555 28.738 0.186 0.000 0.907 285 Q HN 0.671 nan 8.270 nan 0.000 0.418 286 R N -0.442 120.059 120.500 0.000 0.000 2.091 286 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 286 R C 2.357 178.576 176.300 -0.136 0.000 1.136 286 R CA 1.688 57.751 56.100 -0.061 0.000 0.959 286 R CB -0.557 29.688 30.300 -0.093 0.000 0.856 286 R HN 0.381 nan 8.270 nan 0.000 0.437 287 I N 0.582 120.995 120.570 -0.262 0.000 2.226 287 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 287 I C 2.464 178.386 176.117 -0.326 0.000 1.100 287 I CA 1.152 62.136 61.300 -0.526 0.000 1.374 287 I CB -0.328 36.974 38.000 -1.163 0.000 1.057 287 I HN 0.113 nan 8.210 nan 0.000 0.413 288 E N 0.978 121.170 120.200 -0.014 0.000 2.031 288 E HA -0.233 4.116 4.350 -0.000 0.000 0.193 288 E C 2.213 178.886 176.600 0.121 0.000 0.994 288 E CA 1.335 57.899 56.400 0.274 0.000 0.800 288 E CB -0.313 29.666 29.700 0.464 0.000 0.752 288 E HN 0.585 nan 8.360 nan 0.000 0.447 289 Q N 0.327 120.172 119.800 0.075 0.000 2.308 289 Q HA -0.187 4.152 4.340 -0.000 0.000 0.209 289 Q C 1.743 177.755 176.000 0.020 0.000 0.985 289 Q CA 1.218 57.050 55.803 0.048 0.000 0.881 289 Q CB -0.288 28.471 28.738 0.036 0.000 0.917 289 Q HN 0.133 nan 8.270 nan 0.000 0.443 290 N N 0.370 119.054 118.700 -0.027 0.000 2.457 290 N HA -0.009 4.730 4.740 -0.000 0.000 0.180 290 N C -0.021 175.458 175.510 -0.051 0.000 1.050 290 N CA 0.111 53.130 53.050 -0.051 0.000 0.906 290 N CB 0.243 38.654 38.487 -0.126 0.000 0.968 290 N HN 0.105 nan 8.380 nan 0.000 0.445 291 I N 1.700 122.240 120.570 -0.051 0.000 2.496 291 I HA 0.022 4.192 4.170 -0.000 0.000 0.285 291 I C 0.832 176.952 176.117 0.005 0.000 1.080 291 I CA -0.552 60.689 61.300 -0.099 0.000 1.404 291 I CB 0.626 38.495 38.000 -0.218 0.000 1.403 291 I HN 0.186 nan 8.210 nan 0.000 0.539 292 R N 5.670 126.183 120.500 0.021 0.000 2.566 292 R HA -0.064 4.276 4.340 -0.000 0.000 0.273 292 R C -0.161 176.221 176.300 0.137 0.000 0.981 292 R CA 0.089 56.216 56.100 0.046 0.000 1.091 292 R CB 0.493 30.722 30.300 -0.118 0.000 0.924 292 R HN 0.484 nan 8.270 nan 0.000 0.411 293 Q N 4.101 123.994 119.800 0.155 0.000 2.317 293 Q HA 0.248 4.588 4.340 -0.000 0.000 0.229 293 Q C -2.100 174.087 176.000 0.311 0.000 0.984 293 Q CA -2.016 53.903 55.803 0.194 0.000 0.911 293 Q CB 0.201 29.025 28.738 0.144 0.000 1.217 293 Q HN 0.569 nan 8.270 nan 0.000 0.501 294 P HA -0.072 nan 4.420 nan 0.000 0.261 294 P C -0.687 176.721 177.300 0.180 0.000 1.173 294 P CA 0.982 64.171 63.100 0.148 0.000 0.760 294 P CB 0.282 32.037 31.700 0.091 0.000 0.783 295 H N 1.057 120.177 119.070 0.084 0.000 2.981 295 H HA 0.360 4.915 4.556 -0.000 0.000 0.327 295 H C -0.906 174.470 175.328 0.080 0.000 1.342 295 H CA -1.024 55.072 56.048 0.080 0.000 1.123 295 H CB 0.125 29.945 29.762 0.097 0.000 1.851 295 H HN 0.097 nan 8.280 nan 0.000 0.531 296 L N 1.243 122.528 121.223 0.103 0.000 2.473 296 L HA 0.137 4.476 4.340 -0.000 0.000 0.268 296 L C 1.198 178.164 176.870 0.160 0.000 1.215 296 L CA -0.376 54.506 54.840 0.071 0.000 0.823 296 L CB 0.372 42.487 42.059 0.093 0.000 1.099 296 L HN 0.517 nan 8.230 nan 0.000 0.483 297 M N 2.550 122.216 119.600 0.109 0.000 2.217 297 M HA 0.127 4.607 4.480 -0.000 0.000 0.354 297 M C -1.070 175.361 176.300 0.219 0.000 1.225 297 M CA -0.075 55.328 55.300 0.171 0.000 1.137 297 M CB 0.565 33.229 32.600 0.106 0.000 1.576 297 M HN 0.628 nan 8.290 nan 0.000 0.461 298 D N 4.281 124.843 120.400 0.271 0.000 2.547 298 D HA 0.547 5.186 4.640 -0.000 0.000 0.231 298 D C -1.101 175.287 176.300 0.147 0.000 1.099 298 D CA -0.573 53.562 54.000 0.226 0.000 0.901 298 D CB 1.116 42.146 40.800 0.384 0.000 1.478 298 D HN 0.575 nan 8.370 nan 0.000 0.471 299 I N 0.603 121.185 120.570 0.019 0.000 2.354 299 I HA 0.228 4.398 4.170 -0.000 0.000 0.292 299 I C -0.445 175.655 176.117 -0.029 0.000 0.989 299 I CA -1.262 60.009 61.300 -0.047 0.000 1.188 299 I CB 1.467 39.232 38.000 -0.392 0.000 1.342 299 I HN 0.299 nan 8.210 nan 0.000 0.457 300 L N 7.590 128.834 121.223 0.035 0.000 2.410 300 L HA 0.187 4.527 4.340 -0.000 0.000 0.273 300 L C 0.963 177.827 176.870 -0.010 0.000 1.144 300 L CA 0.694 55.545 54.840 0.017 0.000 0.863 300 L CB 0.092 42.175 42.059 0.039 0.000 1.140 300 L HN 0.569 nan 8.230 nan 0.000 0.463 301 N N 1.509 120.189 118.700 -0.034 0.000 2.482 301 N HA 0.096 4.835 4.740 -0.000 0.000 0.179 301 N C -0.286 175.187 175.510 -0.062 0.000 1.039 301 N CA 0.843 53.868 53.050 -0.041 0.000 0.884 301 N CB 0.422 38.883 38.487 -0.043 0.000 1.113 301 N HN 0.723 nan 8.380 nan 0.000 0.440 302 S N -0.257 115.404 115.700 -0.065 0.000 2.595 302 S HA 0.625 5.095 4.470 -0.000 0.000 0.270 302 S C -1.550 172.989 174.600 -0.101 0.000 1.145 302 S CA -0.919 57.225 58.200 -0.093 0.000 0.825 302 S CB 1.246 64.395 63.200 -0.085 0.000 1.107 302 S HN 0.035 nan 8.310 nan 0.000 0.461 303 I N 0.982 121.451 120.570 -0.168 0.000 2.569 303 I HA 0.454 4.624 4.170 -0.000 0.000 0.290 303 I C -0.872 175.102 176.117 -0.238 0.000 1.088 303 I CA -0.601 60.591 61.300 -0.180 0.000 1.047 303 I CB 2.558 40.366 38.000 -0.320 0.000 1.237 303 I HN 0.636 nan 8.210 nan 0.000 0.421 304 T N 6.654 121.082 114.554 -0.211 0.000 2.772 304 T HA 0.600 4.950 4.350 -0.000 0.000 0.288 304 T C -0.172 174.195 174.700 -0.555 0.000 0.994 304 T CA -0.238 61.651 62.100 -0.351 0.000 0.951 304 T CB 0.632 69.326 68.868 -0.289 0.000 0.933 304 T HN 0.274 nan 8.240 nan 0.000 0.447 305 I N 3.551 123.718 120.570 -0.671 0.000 2.385 305 I HA 0.407 4.577 4.170 -0.000 0.000 0.294 305 I C -0.819 174.854 176.117 -0.739 0.000 0.988 305 I CA -0.912 59.884 61.300 -0.840 0.000 1.265 305 I CB 1.035 38.229 38.000 -1.343 0.000 1.388 305 I HN 0.519 nan 8.210 nan 0.000 0.480 306 Y N 3.115 123.309 120.300 -0.177 0.000 2.352 306 Y HA 0.416 4.966 4.550 -0.000 0.000 0.339 306 Y C 0.315 176.236 175.900 0.035 0.000 0.992 306 Y CA -0.817 57.267 58.100 -0.026 0.000 1.100 306 Y CB 1.857 40.331 38.460 0.024 0.000 1.192 306 Y HN 0.403 nan 8.280 nan 0.000 0.458 307 T N 3.136 117.818 114.554 0.213 0.000 2.794 307 T HA 0.315 4.664 4.350 -0.000 0.000 0.280 307 T C -0.697 173.995 174.700 -0.013 0.000 0.987 307 T CA -0.643 61.538 62.100 0.134 0.000 0.993 307 T CB 1.512 70.467 68.868 0.145 0.000 0.939 307 T HN 0.496 nan 8.240 nan 0.000 0.449 308 D N 0.745 120.997 120.400 -0.248 0.000 2.666 308 D HA 0.741 5.381 4.640 -0.000 0.000 0.252 308 D C -0.808 175.262 176.300 -0.383 0.000 1.143 308 D CA -0.544 53.255 54.000 -0.334 0.000 1.096 308 D CB 1.835 42.362 40.800 -0.456 0.000 1.260 308 D HN 0.420 nan 8.370 nan 0.000 0.633 309 V N -1.706 118.087 119.914 -0.202 0.000 3.178 309 V HA 0.598 4.718 4.120 -0.000 0.000 0.302 309 V C -1.104 175.183 176.094 0.322 0.000 1.262 309 V CA -0.778 61.557 62.300 0.057 0.000 1.030 309 V CB 2.094 33.949 31.823 0.054 0.000 1.074 309 V HN 0.738 nan 8.190 nan 0.000 0.438 310 H N 2.593 121.832 119.070 0.282 0.000 3.155 310 H HA 0.370 4.925 4.556 -0.000 0.000 0.328 310 H C -0.322 175.150 175.328 0.239 0.000 1.059 310 H CA -0.500 55.707 56.048 0.264 0.000 1.378 310 H CB 1.540 31.504 29.762 0.337 0.000 1.998 310 H HN 0.827 nan 8.280 nan 0.000 0.480 311 R N 2.514 122.889 120.500 -0.209 0.000 3.405 311 R HA -0.177 4.163 4.340 -0.000 0.000 0.258 311 R C 0.946 177.053 176.300 -0.321 0.000 1.030 311 R CA 1.213 57.205 56.100 -0.179 0.000 0.691 311 R CB -2.384 27.894 30.300 -0.037 0.000 1.093 311 R HN 1.112 nan 8.270 nan 0.000 0.448 312 G N -1.324 107.318 108.800 -0.264 0.000 2.153 312 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.252 312 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.252 312 G C -0.246 174.343 174.900 -0.518 0.000 0.994 312 G CA 0.369 45.232 45.100 -0.396 0.000 0.698 312 G HN 0.320 nan 8.290 nan 0.000 0.521 313 F N 0.889 120.901 119.950 0.104 0.000 2.445 313 F HA 0.482 5.008 4.527 -0.000 0.000 0.348 313 F C 0.260 176.193 175.800 0.221 0.000 1.125 313 F CA -1.626 56.464 58.000 0.149 0.000 0.983 313 F CB 1.204 40.304 39.000 0.168 0.000 1.198 313 F HN -0.113 nan 8.300 nan 0.000 0.436 314 N N 2.741 121.626 118.700 0.308 0.000 2.483 314 N HA 0.397 5.137 4.740 -0.000 0.000 0.269 314 N C -0.935 174.774 175.510 0.332 0.000 1.209 314 N CA -0.005 53.156 53.050 0.185 0.000 0.969 314 N CB 1.332 39.870 38.487 0.084 0.000 1.173 314 N HN 0.666 nan 8.380 nan 0.000 0.475 315 Y N -2.373 118.068 120.300 0.235 0.000 2.677 315 Y HA 0.350 4.900 4.550 -0.000 0.000 0.334 315 Y C -1.392 174.764 175.900 0.426 0.000 1.196 315 Y CA -1.498 56.776 58.100 0.289 0.000 1.059 315 Y CB 0.445 39.024 38.460 0.198 0.000 1.315 315 Y HN 0.411 nan 8.280 nan 0.000 0.455 316 W N 4.393 125.969 121.300 0.461 0.000 2.546 316 W HA 0.400 5.060 4.660 -0.000 0.000 0.323 316 W C 0.474 177.185 176.519 0.321 0.000 1.272 316 W CA -0.047 57.465 57.345 0.279 0.000 1.404 316 W CB 0.931 30.472 29.460 0.135 0.000 1.411 316 W HN 0.828 nan 8.180 nan 0.000 0.480 317 S N 3.692 119.749 115.700 0.595 0.000 2.456 317 S HA 0.462 4.931 4.470 -0.000 0.000 0.224 317 S C 0.746 175.620 174.600 0.456 0.000 1.035 317 S CA 0.530 59.016 58.200 0.478 0.000 0.940 317 S CB 0.468 63.815 63.200 0.246 0.000 0.799 317 S HN 0.590 nan 8.310 nan 0.000 0.508 318 G N 0.688 109.836 108.800 0.580 0.000 2.559 318 G HA2 0.579 4.539 3.960 -0.000 0.000 0.291 318 G HA3 0.579 4.539 3.960 -0.000 0.000 0.291 318 G C -1.654 173.641 174.900 0.659 0.000 1.424 318 G CA -0.645 44.783 45.100 0.546 0.000 0.786 318 G HN 0.649 nan 8.290 nan 0.000 0.485 319 H N -1.446 117.898 119.070 0.455 0.000 2.967 319 H HA 0.664 5.220 4.556 -0.000 0.000 0.318 319 H C -1.893 173.631 175.328 0.326 0.000 1.375 319 H CA -0.780 55.437 56.048 0.283 0.000 1.132 319 H CB 1.738 31.584 29.762 0.141 0.000 1.848 319 H HN 0.608 nan 8.280 nan 0.000 0.524 320 Q N 1.512 121.436 119.800 0.206 0.000 2.323 320 Q HA 0.502 4.842 4.340 -0.000 0.000 0.271 320 Q C -1.142 174.962 176.000 0.174 0.000 1.048 320 Q CA -0.731 55.162 55.803 0.149 0.000 0.792 320 Q CB 2.439 31.264 28.738 0.146 0.000 1.280 320 Q HN 0.616 nan 8.270 nan 0.000 0.441 321 I N 1.832 122.546 120.570 0.240 0.000 2.607 321 I HA 0.468 4.638 4.170 -0.000 0.000 0.305 321 I C 0.006 176.269 176.117 0.244 0.000 0.995 321 I CA -0.682 60.737 61.300 0.199 0.000 1.148 321 I CB 2.189 40.273 38.000 0.141 0.000 1.323 321 I HN 0.594 nan 8.210 nan 0.000 0.461 322 T N 1.707 116.327 114.554 0.111 0.000 2.881 322 T HA 0.861 5.211 4.350 -0.000 0.000 0.290 322 T C -0.750 173.880 174.700 -0.116 0.000 1.000 322 T CA -0.742 61.361 62.100 0.004 0.000 0.978 322 T CB 1.844 70.692 68.868 -0.033 0.000 0.997 322 T HN 0.763 nan 8.240 nan 0.000 0.443 323 A N 2.262 124.819 122.820 -0.439 0.000 2.469 323 A HA 0.914 5.234 4.320 -0.000 0.000 0.299 323 A C -0.233 176.927 177.584 -0.706 0.000 1.098 323 A CA -0.904 50.840 52.037 -0.489 0.000 0.737 323 A CB 1.837 20.661 19.000 -0.292 0.000 1.312 323 A HN 0.845 nan 8.150 nan 0.000 0.414 324 S N 0.762 116.326 115.700 -0.227 0.000 2.664 324 S HA 0.754 5.224 4.470 -0.000 0.000 0.304 324 S C -2.709 171.953 174.600 0.104 0.000 1.099 324 S CA -1.084 57.119 58.200 0.005 0.000 1.003 324 S CB 1.532 64.785 63.200 0.089 0.000 1.092 324 S HN 0.543 nan 8.310 nan 0.000 0.525 325 P HA 0.216 nan 4.420 nan 0.000 0.274 325 P C -0.817 176.436 177.300 -0.078 0.000 1.237 325 P CA -0.537 62.633 63.100 0.117 0.000 0.793 325 P CB 0.370 32.139 31.700 0.114 0.000 0.977 326 V N 1.643 121.531 119.914 -0.043 0.000 2.814 326 V HA 0.109 4.229 4.120 -0.000 0.000 0.307 326 V C 1.775 177.780 176.094 -0.150 0.000 1.089 326 V CA 1.952 64.187 62.300 -0.107 0.000 1.212 326 V CB -0.779 31.043 31.823 -0.001 0.000 0.912 326 V HN 1.035 nan 8.190 nan 0.000 0.497 327 G N 3.973 112.630 108.800 -0.240 0.000 2.196 327 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.268 327 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.268 327 G C 0.322 175.279 174.900 0.095 0.000 0.975 327 G CA 0.344 45.421 45.100 -0.039 0.000 0.648 327 G HN 1.390 nan 8.290 nan 0.000 0.538 328 F N -0.733 119.236 119.950 0.031 0.000 3.074 328 F HA -0.264 4.263 4.527 -0.000 0.000 0.287 328 F C 1.808 177.629 175.800 0.035 0.000 0.932 328 F CA 1.295 59.307 58.000 0.020 0.000 0.995 328 F CB -2.424 36.567 39.000 -0.016 0.000 0.966 328 F HN 0.684 nan 8.300 nan 0.000 0.721 329 S N -1.624 114.151 115.700 0.125 0.000 2.561 329 S HA 0.437 4.907 4.470 -0.000 0.000 0.225 329 S C 1.177 175.835 174.600 0.096 0.000 0.977 329 S CA 0.295 58.556 58.200 0.103 0.000 0.926 329 S CB 0.562 63.806 63.200 0.073 0.000 0.769 329 S HN 0.791 nan 8.310 nan 0.000 0.533 330 G N 1.592 110.459 108.800 0.112 0.000 2.818 330 G HA2 0.672 4.631 3.960 -0.000 0.000 0.286 330 G HA3 0.672 4.631 3.960 -0.000 0.000 0.286 330 G C -3.257 171.726 174.900 0.137 0.000 1.364 330 G CA -1.806 43.358 45.100 0.107 0.000 0.938 330 G HN 0.146 nan 8.290 nan 0.000 0.490 331 P HA 0.258 nan 4.420 nan 0.000 0.284 331 P C -0.598 176.817 177.300 0.191 0.000 1.258 331 P CA -0.468 62.710 63.100 0.131 0.000 0.824 331 P CB 1.857 33.612 31.700 0.091 0.000 1.038 332 E N 2.156 122.436 120.200 0.134 0.000 2.406 332 E HA 0.089 4.439 4.350 -0.000 0.000 0.258 332 E C -0.594 176.071 176.600 0.109 0.000 1.043 332 E CA -0.352 56.095 56.400 0.077 0.000 0.929 332 E CB -0.248 29.464 29.700 0.019 0.000 0.969 332 E HN 0.281 nan 8.360 nan 0.000 0.462 333 F N 2.892 122.843 119.950 0.003 0.000 2.410 333 F HA 0.806 5.332 4.527 -0.000 0.000 0.324 333 F C -0.399 175.377 175.800 -0.040 0.000 1.093 333 F CA -1.179 56.787 58.000 -0.056 0.000 1.028 333 F CB 0.812 39.730 39.000 -0.136 0.000 1.309 333 F HN 0.312 nan 8.300 nan 0.000 0.499 334 A N 0.893 123.777 122.820 0.107 0.000 2.449 334 A HA 0.722 5.042 4.320 -0.000 0.000 0.302 334 A C -1.551 176.053 177.584 0.034 0.000 1.048 334 A CA -0.618 51.457 52.037 0.062 0.000 0.708 334 A CB 0.514 19.547 19.000 0.054 0.000 1.274 334 A HN 0.604 nan 8.150 nan 0.000 0.410 335 F N 1.433 121.435 119.950 0.086 0.000 2.370 335 F HA 0.525 5.052 4.527 -0.000 0.000 0.319 335 F C -1.742 173.944 175.800 -0.190 0.000 1.129 335 F CA -1.754 56.255 58.000 0.015 0.000 1.109 335 F CB 0.343 39.398 39.000 0.091 0.000 1.262 335 F HN 0.321 nan 8.300 nan 0.000 0.534 336 P HA 0.050 nan 4.420 nan 0.000 0.271 336 P C -0.831 176.189 177.300 -0.466 0.000 1.244 336 P CA -0.411 62.545 63.100 -0.240 0.000 0.793 336 P CB 0.444 32.008 31.700 -0.227 0.000 0.984 337 L N 1.379 122.419 121.223 -0.304 0.000 2.453 337 L HA 0.274 4.614 4.340 -0.000 0.000 0.272 337 L C -0.910 175.745 176.870 -0.359 0.000 1.182 337 L CA 0.489 55.177 54.840 -0.253 0.000 0.858 337 L CB -0.609 41.383 42.059 -0.111 0.000 1.120 337 L HN 0.085 nan 8.230 nan 0.000 0.474 338 F N 4.954 124.790 119.950 -0.191 0.000 2.420 338 F HA 0.684 5.211 4.527 -0.000 0.000 0.342 338 F C 1.116 176.848 175.800 -0.113 0.000 1.113 338 F CA 0.501 58.362 58.000 -0.231 0.000 1.059 338 F CB 1.100 39.787 39.000 -0.523 0.000 1.128 338 F HN 0.867 nan 8.300 nan 0.000 0.475 339 G N 3.382 112.259 108.800 0.129 0.000 2.509 339 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.259 339 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.259 339 G C -0.988 173.954 174.900 0.070 0.000 1.169 339 G CA -0.055 45.115 45.100 0.116 0.000 0.953 339 G HN 1.203 nan 8.290 nan 0.000 0.563 340 N N -0.464 118.291 118.700 0.092 0.000 2.229 340 N HA 0.725 5.464 4.740 -0.000 0.000 0.298 340 N C -0.411 175.090 175.510 -0.015 0.000 1.114 340 N CA 0.225 53.286 53.050 0.018 0.000 0.776 340 N CB 2.011 40.517 38.487 0.031 0.000 1.501 340 N HN 1.580 nan 8.380 nan 0.000 0.474 341 A N 1.094 123.794 122.820 -0.200 0.000 2.415 341 A HA 0.646 4.966 4.320 -0.000 0.000 0.309 341 A C 0.683 178.145 177.584 -0.203 0.000 1.356 341 A CA -0.289 51.464 52.037 -0.473 0.000 0.998 341 A CB -0.867 17.551 19.000 -0.971 0.000 1.145 341 A HN 0.843 nan 8.150 nan 0.000 0.545 342 G N 0.974 109.761 108.800 -0.022 0.000 2.507 342 G HA2 0.359 4.319 3.960 -0.000 0.000 0.271 342 G HA3 0.359 4.319 3.960 -0.000 0.000 0.271 342 G C 0.329 175.245 174.900 0.027 0.000 1.189 342 G CA -0.516 44.585 45.100 0.002 0.000 0.859 342 G HN 0.653 nan 8.290 nan 0.000 0.542 343 N N 0.333 119.038 118.700 0.010 0.000 2.250 343 N HA 0.006 4.746 4.740 -0.000 0.000 0.190 343 N C 2.267 177.791 175.510 0.023 0.000 1.116 343 N CA 0.532 53.594 53.050 0.021 0.000 0.881 343 N CB 0.482 38.971 38.487 0.004 0.000 1.006 343 N HN 0.538 nan 8.380 nan 0.000 0.491 344 A N 0.770 123.595 122.820 0.009 0.000 2.054 344 A HA 0.086 4.406 4.320 -0.000 0.000 0.223 344 A C 1.034 178.625 177.584 0.012 0.000 1.169 344 A CA 1.896 53.934 52.037 0.001 0.000 0.655 344 A CB -0.155 18.831 19.000 -0.023 0.000 0.812 344 A HN 0.344 nan 8.150 nan 0.000 0.462 345 A N -1.986 120.853 122.820 0.032 0.000 2.609 345 A HA 0.646 4.966 4.320 -0.000 0.000 0.291 345 A C -3.050 174.568 177.584 0.058 0.000 1.096 345 A CA -1.271 50.785 52.037 0.032 0.000 0.684 345 A CB 0.768 19.782 19.000 0.023 0.000 1.282 345 A HN 0.061 nan 8.150 nan 0.000 0.412 346 P HA 0.418 nan 4.420 nan 0.000 0.274 346 P C -2.672 174.663 177.300 0.059 0.000 1.231 346 P CA -0.958 62.178 63.100 0.058 0.000 0.790 346 P CB -0.539 31.181 31.700 0.034 0.000 0.951 347 P HA 0.059 nan 4.420 nan 0.000 0.266 347 P C -0.565 176.677 177.300 -0.096 0.000 1.195 347 P CA 0.218 63.270 63.100 -0.081 0.000 0.768 347 P CB 0.270 31.919 31.700 -0.085 0.000 0.838 348 V N 4.234 124.055 119.914 -0.155 0.000 2.435 348 V HA 0.267 4.386 4.120 -0.000 0.000 0.290 348 V C -0.000 175.995 176.094 -0.164 0.000 1.030 348 V CA -0.609 61.641 62.300 -0.083 0.000 0.881 348 V CB 1.482 33.344 31.823 0.064 0.000 0.983 348 V HN 0.353 nan 8.190 nan 0.000 0.445 349 L N 6.887 128.048 121.223 -0.103 0.000 2.262 349 L HA 0.561 4.901 4.340 -0.000 0.000 0.288 349 L C -0.398 176.411 176.870 -0.102 0.000 1.035 349 L CA 0.211 54.979 54.840 -0.119 0.000 0.820 349 L CB 1.357 43.365 42.059 -0.083 0.000 1.204 349 L HN 0.441 nan 8.230 nan 0.000 0.424 350 V N 4.652 124.462 119.914 -0.173 0.000 2.333 350 V HA 0.540 4.660 4.120 -0.000 0.000 0.274 350 V C -0.039 175.970 176.094 -0.143 0.000 1.028 350 V CA -0.297 61.892 62.300 -0.184 0.000 0.851 350 V CB 0.907 32.426 31.823 -0.507 0.000 1.000 350 V HN 0.904 nan 8.190 nan 0.000 0.456 351 S N 5.174 120.821 115.700 -0.089 0.000 2.502 351 S HA 0.700 5.170 4.470 -0.000 0.000 0.304 351 S C -0.695 173.764 174.600 -0.234 0.000 1.097 351 S CA -0.804 57.316 58.200 -0.133 0.000 1.045 351 S CB 1.896 65.019 63.200 -0.129 0.000 1.019 351 S HN 0.688 nan 8.310 nan 0.000 0.481 352 L N 2.436 123.550 121.223 -0.181 0.000 2.559 352 L HA 0.503 4.843 4.340 -0.000 0.000 0.282 352 L C 0.073 176.711 176.870 -0.387 0.000 1.232 352 L CA 1.470 56.178 54.840 -0.221 0.000 0.885 352 L CB 0.234 42.255 42.059 -0.062 0.000 1.131 352 L HN 0.955 nan 8.230 nan 0.000 0.498 353 T N 3.216 117.429 114.554 -0.568 0.000 2.853 353 T HA 0.680 5.029 4.350 -0.000 0.000 0.311 353 T C -0.090 174.506 174.700 -0.173 0.000 1.307 353 T CA 0.302 62.154 62.100 -0.414 0.000 1.019 353 T CB 0.703 69.243 68.868 -0.547 0.000 1.264 353 T HN 1.703 nan 8.240 nan 0.000 0.497 354 G N 1.901 110.685 108.800 -0.027 0.000 2.601 354 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.252 354 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.252 354 G C 0.155 175.165 174.900 0.183 0.000 1.294 354 G CA 0.083 45.241 45.100 0.096 0.000 0.912 354 G HN 0.935 nan 8.290 nan 0.000 0.574 355 L N 2.850 124.193 121.223 0.199 0.000 2.650 355 L HA 0.505 4.845 4.340 -0.000 0.000 0.235 355 L C 1.795 178.855 176.870 0.318 0.000 1.149 355 L CA 2.135 57.136 54.840 0.269 0.000 0.887 355 L CB -0.828 41.348 42.059 0.195 0.000 1.021 355 L HN 2.198 nan 8.230 nan 0.000 0.441 356 G N -0.989 108.006 108.800 0.325 0.000 2.384 356 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.668 356 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.668 356 G C -0.763 174.367 174.900 0.385 0.000 1.280 356 G CA -0.929 44.402 45.100 0.385 0.000 0.992 356 G HN -0.079 nan 8.290 nan 0.000 0.512 357 I N 1.797 122.578 120.570 0.352 0.000 2.291 357 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 357 I C 1.289 177.577 176.117 0.285 0.000 1.064 357 I CA -0.362 61.089 61.300 0.252 0.000 1.269 357 I CB 0.458 38.564 38.000 0.177 0.000 1.418 357 I HN 0.559 nan 8.210 nan 0.000 0.485 358 F N 5.849 125.842 119.950 0.072 0.000 2.749 358 F HA 0.417 4.944 4.527 -0.000 0.000 0.300 358 F C 0.645 176.582 175.800 0.228 0.000 1.103 358 F CA -0.355 57.724 58.000 0.131 0.000 1.342 358 F CB 0.151 39.030 39.000 -0.202 0.000 1.098 358 F HN 0.247 nan 8.300 nan 0.000 0.586 359 R N 0.906 121.090 120.500 -0.527 0.000 2.566 359 R HA 0.429 4.769 4.340 -0.000 0.000 0.271 359 R C -1.637 174.534 176.300 -0.216 0.000 1.071 359 R CA -0.241 55.571 56.100 -0.480 0.000 0.915 359 R CB 1.789 31.450 30.300 -1.065 0.000 1.228 359 R HN 0.232 nan 8.270 nan 0.000 0.449 360 T N 1.502 116.002 114.554 -0.090 0.000 2.881 360 T HA 0.425 4.775 4.350 -0.000 0.000 0.291 360 T C -0.407 174.151 174.700 -0.238 0.000 0.990 360 T CA -0.748 61.236 62.100 -0.194 0.000 0.976 360 T CB 1.155 69.889 68.868 -0.224 0.000 0.970 360 T HN 0.364 nan 8.240 nan 0.000 0.438 361 L N 3.257 124.323 121.223 -0.262 0.000 2.321 361 L HA 0.415 4.755 4.340 -0.000 0.000 0.272 361 L C 0.321 177.089 176.870 -0.170 0.000 1.050 361 L CA -0.408 54.319 54.840 -0.189 0.000 0.893 361 L CB 0.825 42.787 42.059 -0.161 0.000 1.272 361 L HN 0.751 nan 8.230 nan 0.000 0.435 362 S N 0.682 116.295 115.700 -0.145 0.000 2.601 362 S HA 0.325 4.795 4.470 -0.000 0.000 0.271 362 S C 0.138 174.716 174.600 -0.037 0.000 1.305 362 S CA -0.413 57.737 58.200 -0.082 0.000 1.022 362 S CB 1.622 64.772 63.200 -0.084 0.000 0.940 362 S HN 0.472 nan 8.310 nan 0.000 0.525 363 S N 3.431 119.132 115.700 0.001 0.000 2.542 363 S HA 0.438 4.908 4.470 -0.000 0.000 0.245 363 S C -2.749 171.831 174.600 -0.032 0.000 1.325 363 S CA -1.650 56.546 58.200 -0.006 0.000 1.176 363 S CB 0.416 63.621 63.200 0.010 0.000 1.045 363 S HN 0.427 nan 8.310 nan 0.000 0.481 364 P HA 0.314 nan 4.420 nan 0.000 0.281 364 P C -1.073 175.980 177.300 -0.412 0.000 1.249 364 P CA -0.773 62.165 63.100 -0.269 0.000 0.810 364 P CB 1.053 32.576 31.700 -0.296 0.000 1.008 365 L N 3.907 124.816 121.223 -0.523 0.000 2.372 365 L HA 0.421 4.761 4.340 -0.000 0.000 0.274 365 L C -1.544 174.987 176.870 -0.564 0.000 0.988 365 L CA -0.899 53.677 54.840 -0.441 0.000 0.833 365 L CB 0.907 42.803 42.059 -0.272 0.000 1.236 365 L HN 0.326 nan 8.230 nan 0.000 0.410 366 Y N 4.505 124.749 120.300 -0.094 0.000 2.464 366 Y HA 0.429 4.978 4.550 -0.000 0.000 0.326 366 Y C 0.193 175.974 175.900 -0.199 0.000 0.969 366 Y CA -0.767 57.288 58.100 -0.076 0.000 1.270 366 Y CB 0.981 39.540 38.460 0.164 0.000 1.103 366 Y HN 0.393 nan 8.280 nan 0.000 0.491 367 R N 4.701 125.042 120.500 -0.263 0.000 2.233 367 R HA 0.385 4.725 4.340 -0.000 0.000 0.334 367 R C -0.466 175.710 176.300 -0.207 0.000 1.037 367 R CA -0.411 55.524 56.100 -0.276 0.000 0.920 367 R CB 0.290 30.355 30.300 -0.392 0.000 1.137 367 R HN 0.670 nan 8.270 nan 0.000 0.492 368 R N 3.063 123.530 120.500 -0.055 0.000 2.596 368 R HA 0.559 4.899 4.340 -0.000 0.000 0.267 368 R C 0.053 176.369 176.300 0.026 0.000 1.026 368 R CA -0.894 55.213 56.100 0.012 0.000 1.087 368 R CB 1.074 31.426 30.300 0.087 0.000 1.132 368 R HN 0.515 nan 8.270 nan 0.000 0.531 369 I N 0.725 121.326 120.570 0.052 0.000 2.775 369 I HA 0.264 4.434 4.170 -0.000 0.000 0.295 369 I C -0.622 175.531 176.117 0.061 0.000 1.287 369 I CA -0.575 60.759 61.300 0.057 0.000 1.029 369 I CB 2.599 40.637 38.000 0.064 0.000 1.282 369 I HN 0.405 nan 8.210 nan 0.000 0.426 370 I N 7.081 127.682 120.570 0.052 0.000 2.278 370 I HA 0.163 4.333 4.170 -0.000 0.000 0.296 370 I C 0.282 176.428 176.117 0.048 0.000 1.121 370 I CA -0.447 60.880 61.300 0.046 0.000 1.267 370 I CB 0.112 38.134 38.000 0.036 0.000 1.447 370 I HN 0.360 nan 8.210 nan 0.000 0.509 371 L N 5.621 126.876 121.223 0.054 0.000 3.155 371 L HA -0.175 4.164 4.340 -0.000 0.000 0.368 371 L C 0.788 177.687 176.870 0.048 0.000 1.206 371 L CA 1.184 56.058 54.840 0.056 0.000 0.807 371 L CB -0.149 41.943 42.059 0.055 0.000 1.097 371 L HN 0.990 nan 8.230 nan 0.000 0.623 372 G N 1.740 110.572 108.800 0.052 0.000 2.733 372 G HA2 0.118 4.078 3.960 -0.000 0.000 0.223 372 G HA3 0.118 4.078 3.960 -0.000 0.000 0.223 372 G C -0.474 174.457 174.900 0.052 0.000 3.546 372 G CA -0.057 45.070 45.100 0.045 0.000 0.654 372 G HN 0.804 nan 8.290 nan 0.000 0.432 373 S N 0.598 116.331 115.700 0.056 0.000 2.667 373 S HA 0.782 5.252 4.470 -0.000 0.000 0.304 373 S C 0.666 175.298 174.600 0.053 0.000 1.135 373 S CA -0.084 58.154 58.200 0.063 0.000 1.125 373 S CB 1.607 64.854 63.200 0.078 0.000 0.996 373 S HN 1.469 nan 8.310 nan 0.000 0.474 374 G N 2.560 111.389 108.800 0.050 0.000 2.537 374 G HA2 0.563 4.523 3.960 -0.000 0.000 0.273 374 G HA3 0.563 4.523 3.960 -0.000 0.000 0.273 374 G C -2.585 172.345 174.900 0.051 0.000 1.189 374 G CA -2.033 43.092 45.100 0.042 0.000 0.881 374 G HN 0.560 nan 8.290 nan 0.000 0.535 375 P HA 0.140 nan 4.420 nan 0.000 0.252 375 P C -0.241 177.106 177.300 0.077 0.000 1.635 375 P CA 0.183 63.314 63.100 0.051 0.000 1.206 375 P CB 0.250 31.970 31.700 0.033 0.000 1.911 376 N N 0.739 119.505 118.700 0.110 0.000 2.451 376 N HA -0.020 4.719 4.740 -0.000 0.000 0.308 376 N C -0.167 175.479 175.510 0.228 0.000 0.699 376 N CA 0.131 53.268 53.050 0.146 0.000 1.060 376 N CB -0.428 38.104 38.487 0.075 0.000 1.865 376 N HN 0.137 nan 8.380 nan 0.000 1.333 377 N N 2.251 121.047 118.700 0.159 0.000 2.437 377 N HA 0.241 4.981 4.740 -0.000 0.000 0.243 377 N C -1.135 174.530 175.510 0.258 0.000 1.041 377 N CA 0.376 53.530 53.050 0.174 0.000 0.940 377 N CB 0.490 39.030 38.487 0.088 0.000 1.133 377 N HN 0.154 nan 8.380 nan 0.000 0.506 378 Q N 1.169 121.245 119.800 0.460 0.000 2.433 378 Q HA 0.350 4.690 4.340 -0.000 0.000 0.279 378 Q C -0.732 175.314 176.000 0.077 0.000 1.105 378 Q CA -0.882 55.025 55.803 0.172 0.000 0.815 378 Q CB 2.073 30.783 28.738 -0.046 0.000 1.403 378 Q HN 0.515 nan 8.270 nan 0.000 0.435 379 E N 1.147 121.337 120.200 -0.016 0.000 2.354 379 E HA 0.266 4.616 4.350 -0.000 0.000 0.269 379 E C -0.934 175.385 176.600 -0.468 0.000 1.036 379 E CA -0.026 56.233 56.400 -0.235 0.000 0.876 379 E CB 0.754 30.299 29.700 -0.258 0.000 1.009 379 E HN 0.261 nan 8.360 nan 0.000 0.416 380 L N 3.656 124.489 121.223 -0.651 0.000 2.325 380 L HA 0.425 4.764 4.340 -0.000 0.000 0.281 380 L C -1.009 175.368 176.870 -0.821 0.000 1.004 380 L CA -0.678 53.775 54.840 -0.646 0.000 0.823 380 L CB 0.645 42.427 42.059 -0.462 0.000 1.236 380 L HN 0.486 nan 8.230 nan 0.000 0.415 381 F N 4.144 123.984 119.950 -0.184 0.000 2.552 381 F HA 0.569 5.096 4.527 -0.000 0.000 0.369 381 F C 0.128 175.788 175.800 -0.234 0.000 1.112 381 F CA -0.762 57.148 58.000 -0.150 0.000 1.129 381 F CB 1.307 40.215 39.000 -0.152 0.000 1.360 381 F HN 0.198 nan 8.300 nan 0.000 0.473 382 V N -0.386 119.419 119.914 -0.182 0.000 3.096 382 V HA 0.667 4.787 4.120 -0.000 0.000 0.310 382 V C -1.529 174.475 176.094 -0.151 0.000 1.438 382 V CA -1.260 60.936 62.300 -0.173 0.000 1.042 382 V CB 2.468 34.142 31.823 -0.247 0.000 1.069 382 V HN 0.275 nan 8.190 nan 0.000 0.470 383 L N 1.003 122.211 121.223 -0.024 0.000 2.341 383 L HA 0.639 4.979 4.340 -0.000 0.000 0.278 383 L C -0.497 176.543 176.870 0.283 0.000 1.005 383 L CA -0.362 54.521 54.840 0.071 0.000 0.818 383 L CB 1.871 43.980 42.059 0.083 0.000 1.259 383 L HN 1.018 nan 8.230 nan 0.000 0.418 384 D N -0.016 120.517 120.400 0.222 0.000 2.395 384 D HA 0.351 4.991 4.640 -0.000 0.000 0.213 384 D C 0.354 176.774 176.300 0.200 0.000 1.110 384 D CA -0.165 53.993 54.000 0.265 0.000 0.835 384 D CB 1.068 41.966 40.800 0.163 0.000 0.965 384 D HN 0.520 nan 8.370 nan 0.000 0.505 385 G N -1.447 107.521 108.800 0.280 0.000 2.547 385 G HA2 0.549 4.509 3.960 -0.000 0.000 0.291 385 G HA3 0.549 4.509 3.960 -0.000 0.000 0.291 385 G C -1.417 173.633 174.900 0.249 0.000 1.471 385 G CA -0.750 44.469 45.100 0.198 0.000 0.798 385 G HN -0.021 nan 8.290 nan 0.000 0.504 386 T N 0.228 114.863 114.554 0.135 0.000 3.709 386 T HA 0.302 4.652 4.350 -0.000 0.000 0.378 386 T C -1.316 173.153 174.700 -0.385 0.000 1.352 386 T CA -0.697 61.318 62.100 -0.142 0.000 1.144 386 T CB 1.875 70.637 68.868 -0.177 0.000 1.289 386 T HN 0.682 nan 8.240 nan 0.000 0.476 387 E N 2.649 122.612 120.200 -0.395 0.000 2.175 387 E HA 0.564 4.914 4.350 -0.000 0.000 0.278 387 E C -1.205 175.104 176.600 -0.484 0.000 0.969 387 E CA -0.645 55.558 56.400 -0.327 0.000 0.796 387 E CB 0.703 30.293 29.700 -0.184 0.000 1.104 387 E HN 0.405 nan 8.360 nan 0.000 0.395 388 F N 2.012 121.857 119.950 -0.174 0.000 2.427 388 F HA 0.314 4.841 4.527 -0.000 0.000 0.346 388 F C 0.148 175.577 175.800 -0.618 0.000 1.120 388 F CA -0.579 57.223 58.000 -0.330 0.000 1.033 388 F CB 1.913 40.747 39.000 -0.275 0.000 1.126 388 F HN 0.188 nan 8.300 nan 0.000 0.462 389 S N 3.307 118.688 115.700 -0.531 0.000 2.472 389 S HA 0.655 5.125 4.470 -0.000 0.000 0.303 389 S C -0.973 173.257 174.600 -0.616 0.000 1.099 389 S CA -0.631 57.204 58.200 -0.608 0.000 1.077 389 S CB 0.817 63.702 63.200 -0.526 0.000 1.031 389 S HN 0.265 nan 8.310 nan 0.000 0.487 390 F N 1.720 121.763 119.950 0.156 0.000 2.404 390 F HA 0.622 5.149 4.527 -0.000 0.000 0.339 390 F C 0.800 176.780 175.800 0.299 0.000 1.105 390 F CA -1.055 57.069 58.000 0.207 0.000 1.087 390 F CB 0.600 39.673 39.000 0.123 0.000 1.143 390 F HN 0.639 nan 8.300 nan 0.000 0.491 391 A N 2.066 125.097 122.820 0.350 0.000 2.351 391 A HA 0.638 4.958 4.320 -0.000 0.000 0.257 391 A C 0.105 177.706 177.584 0.027 0.000 1.087 391 A CA -0.010 51.982 52.037 -0.076 0.000 0.798 391 A CB 0.672 19.194 19.000 -0.797 0.000 1.033 391 A HN 0.751 nan 8.150 nan 0.000 0.488 392 S N 0.125 115.829 115.700 0.006 0.000 2.586 392 S HA 0.436 4.906 4.470 -0.000 0.000 0.277 392 S C 0.001 174.644 174.600 0.071 0.000 1.131 392 S CA -0.591 57.654 58.200 0.075 0.000 0.848 392 S CB 0.371 63.625 63.200 0.090 0.000 1.091 392 S HN 0.620 nan 8.310 nan 0.000 0.453 393 L N 1.844 123.117 121.223 0.084 0.000 2.425 393 L HA 0.155 4.494 4.340 -0.000 0.000 0.215 393 L C 2.177 179.079 176.870 0.052 0.000 1.065 393 L CA 0.668 55.549 54.840 0.069 0.000 0.842 393 L CB -0.768 41.335 42.059 0.073 0.000 1.033 393 L HN 0.772 nan 8.230 nan 0.000 0.474 394 T N -1.394 113.193 114.554 0.055 0.000 2.697 394 T HA -0.029 4.321 4.350 -0.000 0.000 0.244 394 T C 1.011 175.739 174.700 0.047 0.000 1.090 394 T CA 1.069 63.197 62.100 0.047 0.000 1.255 394 T CB -0.674 68.222 68.868 0.047 0.000 0.931 394 T HN 0.349 nan 8.240 nan 0.000 0.406 395 T N 0.375 114.961 114.554 0.053 0.000 2.923 395 T HA 0.511 4.861 4.350 -0.000 0.000 0.281 395 T C -0.422 174.319 174.700 0.070 0.000 0.995 395 T CA -0.971 61.163 62.100 0.055 0.000 0.985 395 T CB 0.723 69.623 68.868 0.053 0.000 1.114 395 T HN 0.087 nan 8.240 nan 0.000 0.548 396 N N 0.720 119.462 118.700 0.071 0.000 2.406 396 N HA 0.417 5.157 4.740 -0.000 0.000 0.251 396 N C -1.229 174.345 175.510 0.107 0.000 1.069 396 N CA -0.449 52.654 53.050 0.088 0.000 0.947 396 N CB -0.065 38.467 38.487 0.074 0.000 1.111 396 N HN 0.405 nan 8.380 nan 0.000 0.497 397 L N 4.512 125.824 121.223 0.148 0.000 2.334 397 L HA 0.514 4.854 4.340 -0.000 0.000 0.277 397 L C -1.708 175.282 176.870 0.200 0.000 1.075 397 L CA -2.067 52.883 54.840 0.183 0.000 0.804 397 L CB 0.398 42.612 42.059 0.259 0.000 1.174 397 L HN 0.488 nan 8.230 nan 0.000 0.438 398 P HA 0.217 nan 4.420 nan 0.000 0.271 398 P C -0.602 176.844 177.300 0.243 0.000 1.220 398 P CA -0.295 62.907 63.100 0.170 0.000 0.768 398 P CB 0.634 32.417 31.700 0.137 0.000 0.848 399 S N 1.638 117.416 115.700 0.130 0.000 2.634 399 S HA 0.418 4.888 4.470 -0.000 0.000 0.261 399 S C -0.025 174.656 174.600 0.135 0.000 1.271 399 S CA -0.428 57.795 58.200 0.038 0.000 0.985 399 S CB 0.413 63.579 63.200 -0.057 0.000 0.968 399 S HN 0.327 nan 8.310 nan 0.000 0.568 400 T N 1.446 116.078 114.554 0.131 0.000 2.833 400 T HA 0.466 4.816 4.350 -0.000 0.000 0.297 400 T C -0.383 174.443 174.700 0.210 0.000 1.015 400 T CA -0.404 61.830 62.100 0.224 0.000 0.963 400 T CB 0.062 69.129 68.868 0.333 0.000 0.955 400 T HN 0.528 nan 8.240 nan 0.000 0.449 401 I N 3.759 124.407 120.570 0.130 0.000 2.331 401 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 401 I C -0.604 175.587 176.117 0.122 0.000 0.998 401 I CA -0.922 60.426 61.300 0.080 0.000 1.267 401 I CB 0.862 38.870 38.000 0.013 0.000 1.386 401 I HN 0.608 nan 8.210 nan 0.000 0.476 402 Y N 7.943 128.248 120.300 0.009 0.000 2.504 402 Y HA 0.355 4.905 4.550 -0.000 0.000 0.339 402 Y C 0.977 176.871 175.900 -0.010 0.000 0.974 402 Y CA -0.628 57.471 58.100 -0.002 0.000 1.232 402 Y CB -0.013 38.441 38.460 -0.011 0.000 1.108 402 Y HN 0.667 nan 8.280 nan 0.000 0.509 403 R N 1.489 121.696 120.500 -0.487 0.000 1.196 403 R HA -0.285 4.055 4.340 -0.000 0.000 0.018 403 R C -0.468 175.720 176.300 -0.187 0.000 0.961 403 R CA 2.065 57.922 56.100 -0.405 0.000 1.985 403 R CB -1.066 28.886 30.300 -0.580 0.000 0.134 403 R HN 0.795 nan 8.270 nan 0.000 0.731 404 Q N 0.544 120.259 119.800 -0.142 0.000 2.687 404 Q HA 0.535 4.875 4.340 -0.000 0.000 0.295 404 Q C -1.164 174.802 176.000 -0.057 0.000 0.920 404 Q CA -1.098 54.660 55.803 -0.075 0.000 0.766 404 Q CB 1.831 30.536 28.738 -0.055 0.000 1.467 404 Q HN 0.236 nan 8.270 nan 0.000 0.415 405 R N -0.496 119.974 120.500 -0.051 0.000 2.697 405 R HA 0.762 5.102 4.340 -0.000 0.000 0.262 405 R C 0.262 176.535 176.300 -0.045 0.000 1.255 405 R CA 0.278 56.342 56.100 -0.061 0.000 1.136 405 R CB 0.391 30.657 30.300 -0.058 0.000 1.169 405 R HN 0.804 nan 8.270 nan 0.000 0.594 406 G N -1.570 107.198 108.800 -0.053 0.000 2.749 406 G HA2 0.257 4.217 3.960 -0.000 0.000 0.300 406 G HA3 0.257 4.217 3.960 -0.000 0.000 0.300 406 G C -0.155 174.721 174.900 -0.041 0.000 1.352 406 G CA -0.233 44.844 45.100 -0.038 0.000 0.789 406 G HN 0.524 nan 8.290 nan 0.000 0.509 407 T N -2.395 112.141 114.554 -0.029 0.000 3.010 407 T HA 0.232 4.582 4.350 -0.000 0.000 0.257 407 T C 0.450 175.130 174.700 -0.033 0.000 1.020 407 T CA 0.143 62.226 62.100 -0.028 0.000 0.938 407 T CB 0.360 69.220 68.868 -0.013 0.000 1.049 407 T HN 0.398 nan 8.240 nan 0.000 0.522 408 V N 3.364 123.257 119.914 -0.035 0.000 2.338 408 V HA 0.317 4.437 4.120 -0.000 0.000 0.255 408 V C -0.180 175.866 176.094 -0.080 0.000 1.082 408 V CA -0.912 61.364 62.300 -0.039 0.000 0.951 408 V CB 0.199 32.012 31.823 -0.017 0.000 1.102 408 V HN 0.354 nan 8.190 nan 0.000 0.489 409 D N 3.365 123.714 120.400 -0.085 0.000 2.225 409 D HA 0.194 4.834 4.640 -0.000 0.000 0.248 409 D C 1.358 177.571 176.300 -0.146 0.000 1.096 409 D CA 0.114 54.045 54.000 -0.114 0.000 0.863 409 D CB 2.077 42.822 40.800 -0.093 0.000 1.156 409 D HN 0.512 nan 8.370 nan 0.000 0.450 410 S N 3.609 119.193 115.700 -0.193 0.000 2.402 410 S HA -0.138 4.331 4.470 -0.000 0.000 0.229 410 S C 2.227 176.635 174.600 -0.320 0.000 1.021 410 S CA 0.370 58.389 58.200 -0.301 0.000 0.974 410 S CB -0.355 62.592 63.200 -0.421 0.000 0.800 410 S HN 0.615 nan 8.310 nan 0.000 0.484 411 L N 1.541 122.635 121.223 -0.215 0.000 2.189 411 L HA -0.158 4.182 4.340 -0.000 0.000 0.214 411 L C 1.760 178.546 176.870 -0.139 0.000 1.097 411 L CA 1.494 56.248 54.840 -0.142 0.000 0.764 411 L CB -0.789 41.245 42.059 -0.042 0.000 0.900 411 L HN 0.282 nan 8.230 nan 0.000 0.436 412 D N -0.771 119.548 120.400 -0.135 0.000 2.371 412 D HA -0.071 4.568 4.640 -0.000 0.000 0.221 412 D C 1.745 177.963 176.300 -0.137 0.000 0.986 412 D CA 1.034 54.964 54.000 -0.116 0.000 0.899 412 D CB 0.339 41.083 40.800 -0.093 0.000 0.902 412 D HN 0.398 nan 8.370 nan 0.000 0.530 413 V N -2.864 116.937 119.914 -0.189 0.000 3.485 413 V HA 0.347 4.467 4.120 -0.000 0.000 0.280 413 V C 0.641 176.567 176.094 -0.281 0.000 1.495 413 V CA -0.192 61.988 62.300 -0.200 0.000 1.018 413 V CB 0.481 32.200 31.823 -0.173 0.000 0.818 413 V HN -0.065 nan 8.190 nan 0.000 0.436 414 I N 2.613 122.970 120.570 -0.354 0.000 2.796 414 I HA 0.422 4.591 4.170 -0.000 0.000 0.277 414 I C -2.849 173.090 176.117 -0.297 0.000 1.331 414 I CA -1.416 59.611 61.300 -0.455 0.000 0.983 414 I CB 1.858 39.379 38.000 -0.799 0.000 1.410 414 I HN 0.138 nan 8.210 nan 0.000 0.561 415 P HA 0.296 nan 4.420 nan 0.000 0.274 415 P C -2.505 174.781 177.300 -0.025 0.000 1.246 415 P CA -1.347 61.707 63.100 -0.076 0.000 0.795 415 P CB -0.106 31.561 31.700 -0.055 0.000 1.006 416 P HA 0.003 nan 4.420 nan 0.000 0.269 416 P C 0.570 177.860 177.300 -0.016 0.000 1.215 416 P CA 0.103 63.214 63.100 0.018 0.000 0.780 416 P CB 0.252 31.971 31.700 0.030 0.000 0.898 417 Q N 0.325 120.094 119.800 -0.051 0.000 2.376 417 Q HA 0.064 4.404 4.340 -0.000 0.000 0.206 417 Q C -0.142 175.822 176.000 -0.060 0.000 0.921 417 Q CA 0.718 56.491 55.803 -0.050 0.000 0.911 417 Q CB 0.205 28.906 28.738 -0.062 0.000 1.032 417 Q HN 0.243 nan 8.270 nan 0.000 0.510 418 D N 0.621 120.982 120.400 -0.065 0.000 2.505 418 D HA 0.195 4.834 4.640 -0.000 0.000 0.250 418 D C -0.769 175.508 176.300 -0.039 0.000 1.164 418 D CA -0.523 53.440 54.000 -0.062 0.000 0.870 418 D CB 0.888 41.651 40.800 -0.063 0.000 1.160 418 D HN 0.017 nan 8.370 nan 0.000 0.549 419 N N 1.560 120.233 118.700 -0.045 0.000 2.378 419 N HA 0.007 4.746 4.740 -0.000 0.000 0.243 419 N C 0.505 176.022 175.510 0.012 0.000 1.137 419 N CA 0.078 53.135 53.050 0.012 0.000 0.862 419 N CB 0.593 39.130 38.487 0.084 0.000 1.116 419 N HN 0.333 nan 8.380 nan 0.000 0.499 420 S N -1.759 113.935 115.700 -0.010 0.000 2.603 420 S HA 0.176 4.646 4.470 -0.000 0.000 0.232 420 S C 0.433 175.036 174.600 0.004 0.000 1.016 420 S CA -0.438 57.760 58.200 -0.002 0.000 0.976 420 S CB -0.071 63.120 63.200 -0.016 0.000 0.921 420 S HN -0.018 nan 8.310 nan 0.000 0.516 421 V N -1.886 118.029 119.914 0.003 0.000 3.007 421 V HA 0.727 4.847 4.120 -0.000 0.000 0.311 421 V C -3.044 173.053 176.094 0.006 0.000 1.120 421 V CA -2.777 59.525 62.300 0.004 0.000 0.980 421 V CB 1.244 33.065 31.823 -0.003 0.000 1.033 421 V HN -0.020 nan 8.190 nan 0.000 0.429 422 P HA 0.187 nan 4.420 nan 0.000 0.266 422 P C -2.337 174.947 177.300 -0.026 0.000 1.193 422 P CA -0.873 62.231 63.100 0.008 0.000 0.770 422 P CB 0.044 31.752 31.700 0.013 0.000 0.836 423 P HA -0.184 nan 4.420 nan 0.000 0.218 423 P C 1.520 178.542 177.300 -0.464 0.000 1.146 423 P CA 1.718 64.784 63.100 -0.057 0.000 0.813 423 P CB -0.220 31.575 31.700 0.158 0.000 0.778 424 R N -0.639 119.544 120.500 -0.527 0.000 2.193 424 R HA 0.032 4.372 4.340 -0.000 0.000 0.229 424 R C 1.780 177.885 176.300 -0.326 0.000 1.110 424 R CA 1.703 57.305 56.100 -0.829 0.000 0.988 424 R CB -0.972 29.183 30.300 -0.243 0.000 0.871 424 R HN 0.105 nan 8.270 nan 0.000 0.458 425 A N 0.435 123.200 122.820 -0.092 0.000 2.108 425 A HA 0.297 4.617 4.320 -0.000 0.000 0.206 425 A C 1.994 179.599 177.584 0.036 0.000 1.212 425 A CA 0.326 52.396 52.037 0.055 0.000 0.843 425 A CB 0.269 19.279 19.000 0.017 0.000 0.902 425 A HN 0.447 nan 8.150 nan 0.000 0.477 426 G N 0.080 108.871 108.800 -0.015 0.000 3.233 426 G HA2 0.359 4.319 3.960 -0.000 0.000 0.234 426 G HA3 0.359 4.319 3.960 -0.000 0.000 0.234 426 G C 0.408 175.242 174.900 -0.110 0.000 1.137 426 G CA -0.152 44.901 45.100 -0.078 0.000 0.763 426 G HN 0.497 nan 8.290 nan 0.000 0.549 427 F N 1.634 121.489 119.950 -0.159 0.000 2.628 427 F HA 0.312 4.839 4.527 -0.000 0.000 0.362 427 F C 1.292 177.080 175.800 -0.020 0.000 1.148 427 F CA -0.344 57.611 58.000 -0.075 0.000 1.352 427 F CB 0.611 39.552 39.000 -0.097 0.000 1.081 427 F HN -0.027 nan 8.300 nan 0.000 0.605 428 S N -0.376 115.333 115.700 0.015 0.000 2.497 428 S HA 0.243 4.712 4.470 -0.000 0.000 0.218 428 S C -0.115 174.419 174.600 -0.109 0.000 1.023 428 S CA 0.130 58.255 58.200 -0.125 0.000 0.913 428 S CB -0.485 62.724 63.200 0.015 0.000 0.800 428 S HN 0.836 nan 8.310 nan 0.000 0.505 429 H N 1.019 120.147 119.070 0.096 0.000 2.949 429 H HA 0.793 5.349 4.556 -0.000 0.000 0.356 429 H C -0.463 175.212 175.328 0.580 0.000 1.212 429 H CA -0.902 55.291 56.048 0.242 0.000 1.136 429 H CB 1.365 31.248 29.762 0.202 0.000 1.869 429 H HN 0.428 nan 8.280 nan 0.000 0.556 430 R N 0.688 121.602 120.500 0.690 0.000 2.651 430 R HA 0.521 4.861 4.340 -0.000 0.000 0.278 430 R C -1.531 175.052 176.300 0.471 0.000 1.010 430 R CA -1.161 55.297 56.100 0.596 0.000 0.896 430 R CB 1.460 32.013 30.300 0.422 0.000 1.211 430 R HN 0.335 nan 8.270 nan 0.000 0.456 431 L N 2.224 123.562 121.223 0.191 0.000 2.525 431 L HA 0.089 4.428 4.340 -0.000 0.000 0.278 431 L C 0.776 177.647 176.870 0.001 0.000 1.218 431 L CA 1.188 55.876 54.840 -0.254 0.000 0.878 431 L CB 1.292 43.137 42.059 -0.356 0.000 1.127 431 L HN 1.020 nan 8.230 nan 0.000 0.492 432 S N 1.972 117.659 115.700 -0.023 0.000 2.670 432 S HA 0.253 4.723 4.470 -0.000 0.000 0.241 432 S C 0.174 174.835 174.600 0.101 0.000 1.077 432 S CA 0.033 58.292 58.200 0.098 0.000 0.899 432 S CB -0.010 63.293 63.200 0.172 0.000 0.835 432 S HN 0.802 nan 8.310 nan 0.000 0.481 433 H N -0.445 118.551 119.070 -0.123 0.000 3.094 433 H HA 0.612 5.167 4.556 -0.000 0.000 0.346 433 H C -2.210 172.952 175.328 -0.277 0.000 1.238 433 H CA -0.452 55.470 56.048 -0.210 0.000 1.209 433 H CB 1.936 31.570 29.762 -0.214 0.000 1.911 433 H HN 0.100 nan 8.280 nan 0.000 0.540 434 V N 4.361 123.861 119.914 -0.691 0.000 2.443 434 V HA 0.372 4.492 4.120 -0.000 0.000 0.293 434 V C 0.604 176.172 176.094 -0.878 0.000 1.021 434 V CA -0.203 61.650 62.300 -0.745 0.000 0.848 434 V CB 1.034 32.389 31.823 -0.780 0.000 0.998 434 V HN 0.990 nan 8.190 nan 0.000 0.424 435 T N 1.796 115.905 114.554 -0.741 0.000 2.914 435 T HA 0.773 5.123 4.350 -0.000 0.000 0.313 435 T C -0.215 174.176 174.700 -0.516 0.000 1.137 435 T CA -0.602 61.009 62.100 -0.815 0.000 0.946 435 T CB 1.257 69.868 68.868 -0.428 0.000 1.558 435 T HN 0.569 nan 8.240 nan 0.000 0.565 436 M N 1.273 120.666 119.600 -0.345 0.000 2.272 436 M HA 0.537 5.017 4.480 -0.000 0.000 0.240 436 M C -2.109 174.112 176.300 -0.131 0.000 0.991 436 M CA -1.118 54.085 55.300 -0.163 0.000 1.008 436 M CB 1.033 33.648 32.600 0.025 0.000 2.221 436 M HN 0.731 nan 8.290 nan 0.000 0.469 437 L N 3.487 124.603 121.223 -0.179 0.000 2.312 437 L HA 0.892 5.232 4.340 -0.000 0.000 0.281 437 L C -0.716 176.069 176.870 -0.141 0.000 1.070 437 L CA 0.741 55.479 54.840 -0.170 0.000 0.805 437 L CB 1.543 43.459 42.059 -0.238 0.000 1.174 437 L HN 0.806 nan 8.230 nan 0.000 0.434 438 S N 2.279 117.910 115.700 -0.116 0.000 2.667 438 S HA 0.516 4.986 4.470 -0.000 0.000 0.292 438 S C -1.374 173.158 174.600 -0.115 0.000 1.126 438 S CA -0.753 57.391 58.200 -0.093 0.000 0.881 438 S CB 1.716 64.885 63.200 -0.050 0.000 1.132 438 S HN 0.700 nan 8.310 nan 0.000 0.492 439 Q N 1.194 120.929 119.800 -0.109 0.000 2.373 439 Q HA 0.515 4.855 4.340 -0.000 0.000 0.255 439 Q C 0.046 175.952 176.000 -0.157 0.000 0.980 439 Q CA -0.366 55.344 55.803 -0.155 0.000 0.882 439 Q CB 0.338 28.895 28.738 -0.301 0.000 1.249 439 Q HN 0.657 nan 8.270 nan 0.000 0.438 440 A N 2.124 124.852 122.820 -0.152 0.000 2.492 440 A HA 0.432 4.752 4.320 -0.000 0.000 0.236 440 A C 0.160 177.670 177.584 -0.123 0.000 1.078 440 A CA 0.247 52.217 52.037 -0.112 0.000 0.773 440 A CB -0.265 18.684 19.000 -0.086 0.000 1.023 440 A HN 0.992 nan 8.150 nan 0.000 0.504 441 A N 0.140 122.909 122.820 -0.084 0.000 2.488 441 A HA 0.510 4.830 4.320 -0.000 0.000 0.249 441 A C 1.514 179.049 177.584 -0.082 0.000 1.083 441 A CA 0.716 52.706 52.037 -0.077 0.000 0.768 441 A CB -0.733 18.237 19.000 -0.051 0.000 1.017 441 A HN 2.736 nan 8.150 nan 0.000 0.496 442 G N 0.753 109.497 108.800 -0.093 0.000 2.194 442 G HA2 0.169 4.129 3.960 -0.000 0.000 0.236 442 G HA3 0.169 4.129 3.960 -0.000 0.000 0.236 442 G C 0.572 175.398 174.900 -0.122 0.000 0.987 442 G CA 0.263 45.313 45.100 -0.083 0.000 0.635 442 G HN 2.117 nan 8.290 nan 0.000 0.520 443 A N 0.260 122.953 122.820 -0.213 0.000 2.371 443 A HA 0.682 5.002 4.320 -0.000 0.000 0.257 443 A C 1.584 178.939 177.584 -0.381 0.000 1.089 443 A CA 0.614 52.425 52.037 -0.378 0.000 0.794 443 A CB 0.948 19.534 19.000 -0.690 0.000 1.029 443 A HN 1.604 nan 8.150 nan 0.000 0.488 444 V N -0.535 119.190 119.914 -0.315 0.000 3.514 444 V HA 0.341 4.461 4.120 -0.000 0.000 0.301 444 V C 0.006 176.056 176.094 -0.073 0.000 1.346 444 V CA 0.373 62.595 62.300 -0.129 0.000 1.156 444 V CB -2.372 29.463 31.823 0.020 0.000 1.029 444 V HN 0.815 nan 8.190 nan 0.000 0.428 445 Y N -2.427 117.890 120.300 0.028 0.000 2.665 445 Y HA 0.868 5.418 4.550 -0.000 0.000 0.336 445 Y C -0.200 175.665 175.900 -0.058 0.000 1.085 445 Y CA -1.563 56.538 58.100 0.003 0.000 1.096 445 Y CB 0.804 39.354 38.460 0.149 0.000 1.301 445 Y HN -0.196 nan 8.280 nan 0.000 0.493 446 T N 3.248 117.872 114.554 0.116 0.000 2.801 446 T HA 0.449 4.799 4.350 -0.000 0.000 0.306 446 T C -1.306 173.427 174.700 0.055 0.000 1.020 446 T CA -0.290 61.796 62.100 -0.023 0.000 0.948 446 T CB 0.207 68.938 68.868 -0.229 0.000 0.962 446 T HN 0.629 nan 8.240 nan 0.000 0.465 447 L N 4.248 125.541 121.223 0.116 0.000 2.287 447 L HA 0.758 5.098 4.340 -0.000 0.000 0.287 447 L C -0.209 176.623 176.870 -0.064 0.000 1.022 447 L CA -0.485 54.381 54.840 0.043 0.000 0.814 447 L CB 0.974 43.026 42.059 -0.011 0.000 1.217 447 L HN 0.320 nan 8.230 nan 0.000 0.420 448 R N 4.538 124.978 120.500 -0.100 0.000 2.585 448 R HA 0.607 4.947 4.340 -0.000 0.000 0.278 448 R C -1.172 175.018 176.300 -0.184 0.000 1.663 448 R CA -0.034 56.004 56.100 -0.103 0.000 1.592 448 R CB 1.085 31.371 30.300 -0.023 0.000 1.200 448 R HN 0.641 nan 8.270 nan 0.000 0.611 449 A N 4.461 127.161 122.820 -0.201 0.000 2.690 449 A HA 0.474 4.794 4.320 -0.000 0.000 0.342 449 A C -2.373 175.047 177.584 -0.274 0.000 1.410 449 A CA -1.550 50.357 52.037 -0.217 0.000 0.958 449 A CB 0.100 18.987 19.000 -0.188 0.000 1.153 449 A HN 0.313 nan 8.150 nan 0.000 0.497 450 P HA 0.185 nan 4.420 nan 0.000 0.281 450 P C -0.225 176.862 177.300 -0.354 0.000 1.252 450 P CA 0.267 63.069 63.100 -0.497 0.000 0.778 450 P CB 1.083 32.237 31.700 -0.910 0.000 0.895 451 T N 4.504 118.883 114.554 -0.292 0.000 2.817 451 T HA 0.360 4.710 4.350 -0.000 0.000 0.293 451 T C 0.000 174.614 174.700 -0.144 0.000 0.964 451 T CA 0.219 62.277 62.100 -0.071 0.000 1.085 451 T CB -0.210 68.622 68.868 -0.060 0.000 0.921 451 T HN 0.137 nan 8.240 nan 0.000 0.502 452 F N 1.504 121.493 119.950 0.064 0.000 2.399 452 F HA 0.471 4.997 4.527 -0.000 0.000 0.334 452 F C 1.016 176.867 175.800 0.085 0.000 1.097 452 F CA -0.586 57.398 58.000 -0.027 0.000 1.076 452 F CB 1.491 40.484 39.000 -0.012 0.000 1.162 452 F HN 0.374 nan 8.300 nan 0.000 0.495 453 S N 2.085 117.831 115.700 0.077 0.000 2.472 453 S HA 0.517 4.987 4.470 -0.000 0.000 0.303 453 S C -1.541 173.006 174.600 -0.088 0.000 1.099 453 S CA -0.570 57.763 58.200 0.220 0.000 1.077 453 S CB 0.600 63.985 63.200 0.307 0.000 1.031 453 S HN 0.486 nan 8.310 nan 0.000 0.487 454 W N 1.778 123.205 121.300 0.212 0.000 2.656 454 W HA 0.566 5.226 4.660 -0.000 0.000 0.327 454 W C -0.028 176.645 176.519 0.256 0.000 1.041 454 W CA -0.671 56.812 57.345 0.230 0.000 1.229 454 W CB 1.124 30.681 29.460 0.162 0.000 1.397 454 W HN 0.447 nan 8.180 nan 0.000 0.479 455 Q N 2.376 122.459 119.800 0.472 0.000 2.282 455 Q HA 0.215 4.555 4.340 -0.000 0.000 0.260 455 Q C -0.119 175.955 176.000 0.123 0.000 0.964 455 Q CA -0.662 55.315 55.803 0.289 0.000 0.880 455 Q CB 0.956 29.841 28.738 0.245 0.000 1.286 455 Q HN 0.413 nan 8.270 nan 0.000 0.445 456 H N 3.294 122.278 119.070 -0.143 0.000 2.897 456 H HA 0.009 4.565 4.556 -0.000 0.000 0.347 456 H C 0.771 175.969 175.328 -0.216 0.000 1.068 456 H CA 0.883 56.657 56.048 -0.456 0.000 1.426 456 H CB 0.903 30.460 29.762 -0.343 0.000 1.410 456 H HN 0.801 nan 8.280 nan 0.000 0.597 457 R N 2.328 122.689 120.500 -0.233 0.000 2.159 457 R HA -0.154 4.186 4.340 -0.000 0.000 0.237 457 R C 1.917 178.235 176.300 0.030 0.000 1.131 457 R CA 1.571 57.628 56.100 -0.072 0.000 0.982 457 R CB 0.062 30.178 30.300 -0.307 0.000 0.868 457 R HN 0.697 nan 8.270 nan 0.000 0.453 458 S N 0.131 115.960 115.700 0.214 0.000 2.402 458 S HA -0.017 4.453 4.470 -0.000 0.000 0.229 458 S C 1.195 175.778 174.600 -0.028 0.000 1.021 458 S CA 0.630 58.835 58.200 0.009 0.000 0.974 458 S CB -0.133 62.984 63.200 -0.138 0.000 0.800 458 S HN 0.359 nan 8.310 nan 0.000 0.484 459 A N 2.791 125.608 122.820 -0.004 0.000 2.770 459 A HA 0.239 4.559 4.320 -0.000 0.000 0.292 459 A C 0.528 178.103 177.584 -0.016 0.000 1.604 459 A CA -0.181 51.856 52.037 0.001 0.000 1.271 459 A CB -0.376 18.647 19.000 0.038 0.000 1.075 459 A HN 0.305 nan 8.150 nan 0.000 0.573 460 E N 1.213 121.398 120.200 -0.026 0.000 2.398 460 E HA 0.104 4.454 4.350 -0.000 0.000 0.263 460 E C 0.371 177.017 176.600 0.077 0.000 1.046 460 E CA -0.321 56.053 56.400 -0.043 0.000 0.908 460 E CB 0.143 29.837 29.700 -0.010 0.000 0.963 460 E HN 0.533 nan 8.360 nan 0.000 0.431 461 F N 1.467 121.456 119.950 0.065 0.000 2.154 461 F HA -0.172 4.355 4.527 -0.000 0.000 0.301 461 F C 1.042 176.839 175.800 -0.005 0.000 1.087 461 F CA 1.028 59.046 58.000 0.031 0.000 1.274 461 F CB -0.426 38.655 39.000 0.135 0.000 1.009 461 F HN 0.340 nan 8.300 nan 0.000 0.485 462 N N -0.600 118.238 118.700 0.230 0.000 2.335 462 N HA 0.223 4.962 4.740 -0.000 0.000 0.304 462 N C -0.793 174.750 175.510 0.054 0.000 1.135 462 N CA -0.660 52.466 53.050 0.127 0.000 0.817 462 N CB 0.692 39.262 38.487 0.138 0.000 1.294 462 N HN -0.199 nan 8.380 nan 0.000 0.497 463 N N 1.443 120.149 118.700 0.009 0.000 2.558 463 N HA 0.309 5.049 4.740 -0.000 0.000 0.233 463 N C -1.059 174.392 175.510 -0.099 0.000 1.038 463 N CA -0.071 52.954 53.050 -0.042 0.000 0.934 463 N CB 0.334 38.790 38.487 -0.053 0.000 1.175 463 N HN 0.428 nan 8.380 nan 0.000 0.512 464 I N 2.931 123.447 120.570 -0.089 0.000 2.336 464 I HA 0.322 4.491 4.170 -0.000 0.000 0.292 464 I C 0.024 176.038 176.117 -0.172 0.000 0.991 464 I CA -0.577 60.650 61.300 -0.121 0.000 1.227 464 I CB 1.371 39.337 38.000 -0.055 0.000 1.366 464 I HN 0.120 nan 8.210 nan 0.000 0.466 465 I N 8.826 129.228 120.570 -0.280 0.000 2.371 465 I HA 0.393 4.563 4.170 -0.000 0.000 0.282 465 I C -2.315 173.694 176.117 -0.181 0.000 1.031 465 I CA -2.018 59.082 61.300 -0.333 0.000 1.180 465 I CB 0.692 38.251 38.000 -0.735 0.000 1.336 465 I HN 0.299 nan 8.210 nan 0.000 0.467 466 P HA 0.426 nan 4.420 nan 0.000 0.309 466 P C -0.566 176.843 177.300 0.183 0.000 1.302 466 P CA -0.451 62.683 63.100 0.058 0.000 0.835 466 P CB 1.746 33.470 31.700 0.039 0.000 1.324 467 S N -1.954 113.845 115.700 0.166 0.000 2.672 467 S HA 0.430 4.900 4.470 -0.000 0.000 0.276 467 S C 0.139 174.805 174.600 0.110 0.000 1.207 467 S CA -0.330 57.967 58.200 0.163 0.000 1.002 467 S CB -0.033 63.224 63.200 0.096 0.000 0.998 467 S HN 0.487 nan 8.310 nan 0.000 0.542 468 S N 0.085 115.836 115.700 0.085 0.000 3.748 468 S HA -0.132 4.338 4.470 -0.000 0.000 0.329 468 S C -0.367 174.286 174.600 0.088 0.000 1.104 468 S CA 1.162 59.405 58.200 0.070 0.000 0.954 468 S CB -2.433 60.802 63.200 0.057 0.000 0.910 468 S HN 1.132 nan 8.310 nan 0.000 0.494 469 Q N -1.282 118.588 119.800 0.117 0.000 2.617 469 Q HA 0.605 4.945 4.340 -0.000 0.000 0.270 469 Q C -1.368 174.725 176.000 0.156 0.000 0.967 469 Q CA -1.123 54.750 55.803 0.118 0.000 0.887 469 Q CB 0.793 29.588 28.738 0.094 0.000 1.516 469 Q HN 0.301 nan 8.270 nan 0.000 0.395 470 I N 2.688 123.346 120.570 0.148 0.000 2.269 470 I HA 0.187 4.356 4.170 -0.000 0.000 0.293 470 I C -0.351 175.856 176.117 0.149 0.000 1.106 470 I CA -0.267 61.141 61.300 0.180 0.000 1.248 470 I CB 0.967 39.096 38.000 0.214 0.000 1.444 470 I HN 0.613 nan 8.210 nan 0.000 0.497 471 T N 6.496 121.154 114.554 0.172 0.000 2.814 471 T HA 0.189 4.538 4.350 -0.000 0.000 0.297 471 T C 0.054 174.841 174.700 0.144 0.000 0.956 471 T CA -0.322 61.854 62.100 0.127 0.000 1.123 471 T CB 0.516 69.450 68.868 0.110 0.000 0.902 471 T HN 0.484 nan 8.240 nan 0.000 0.528 472 Q N 2.680 122.521 119.800 0.068 0.000 2.282 472 Q HA 0.536 4.875 4.340 -0.000 0.000 0.260 472 Q C -0.636 175.390 176.000 0.043 0.000 0.964 472 Q CA -0.744 55.090 55.803 0.051 0.000 0.880 472 Q CB 1.826 30.552 28.738 -0.019 0.000 1.286 472 Q HN 0.496 nan 8.270 nan 0.000 0.445 473 I N 3.692 124.299 120.570 0.062 0.000 2.493 473 I HA 0.299 4.468 4.170 -0.000 0.000 0.279 473 I C -2.481 173.653 176.117 0.028 0.000 1.045 473 I CA -2.206 59.123 61.300 0.049 0.000 1.106 473 I CB 1.323 39.381 38.000 0.097 0.000 1.216 473 I HN 0.259 nan 8.210 nan 0.000 0.459 474 P HA 0.171 nan 4.420 nan 0.000 0.269 474 P C 1.113 178.424 177.300 0.018 0.000 1.215 474 P CA -0.154 62.945 63.100 -0.001 0.000 0.780 474 P CB 1.075 32.761 31.700 -0.024 0.000 0.898 475 L N 1.032 122.270 121.223 0.026 0.000 2.465 475 L HA -0.082 4.258 4.340 -0.000 0.000 0.224 475 L C 1.873 178.765 176.870 0.038 0.000 1.145 475 L CA 1.204 56.069 54.840 0.043 0.000 0.834 475 L CB -0.965 41.127 42.059 0.054 0.000 0.944 475 L HN 0.496 nan 8.230 nan 0.000 0.451 476 T N -3.820 110.745 114.554 0.018 0.000 3.072 476 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 476 T C 1.407 176.121 174.700 0.024 0.000 1.127 476 T CA 0.516 62.620 62.100 0.006 0.000 1.107 476 T CB -0.171 68.678 68.868 -0.032 0.000 0.910 476 T HN 0.258 nan 8.240 nan 0.000 0.513 477 K N 1.696 122.115 120.400 0.031 0.000 2.551 477 K HA 0.285 4.605 4.320 -0.000 0.000 0.204 477 K C 0.050 176.681 176.600 0.051 0.000 1.033 477 K CA -0.254 56.058 56.287 0.041 0.000 1.187 477 K CB 0.249 32.770 32.500 0.034 0.000 0.900 477 K HN 0.202 nan 8.250 nan 0.000 0.499 478 S N 0.406 116.141 115.700 0.057 0.000 2.592 478 S HA 0.038 4.508 4.470 -0.000 0.000 0.271 478 S C 1.278 175.916 174.600 0.063 0.000 1.326 478 S CA -0.319 57.922 58.200 0.069 0.000 1.024 478 S CB 1.411 64.655 63.200 0.073 0.000 0.921 478 S HN 0.182 nan 8.310 nan 0.000 0.527 479 T N 2.530 117.124 114.554 0.066 0.000 2.985 479 T HA 0.025 4.375 4.350 -0.000 0.000 0.266 479 T C 0.366 175.092 174.700 0.043 0.000 1.076 479 T CA 0.945 63.079 62.100 0.057 0.000 1.135 479 T CB -0.383 68.521 68.868 0.060 0.000 0.890 479 T HN 0.880 nan 8.240 nan 0.000 0.480 480 N N -0.689 118.037 118.700 0.043 0.000 3.043 480 N HA 0.378 5.118 4.740 -0.000 0.000 0.243 480 N C -1.753 173.776 175.510 0.031 0.000 1.347 480 N CA -0.858 52.206 53.050 0.024 0.000 0.896 480 N CB 0.614 39.106 38.487 0.009 0.000 1.501 480 N HN -0.058 nan 8.380 nan 0.000 0.504 481 L N 0.142 121.376 121.223 0.018 0.000 2.375 481 L HA 0.748 5.088 4.340 -0.000 0.000 0.268 481 L C 1.127 178.004 176.870 0.013 0.000 1.058 481 L CA -1.067 53.785 54.840 0.021 0.000 0.803 481 L CB 1.249 43.318 42.059 0.017 0.000 1.212 481 L HN 0.859 nan 8.230 nan 0.000 0.451 482 G N -0.144 108.665 108.800 0.015 0.000 2.477 482 G HA2 0.233 4.193 3.960 -0.000 0.000 0.304 482 G HA3 0.233 4.193 3.960 -0.000 0.000 0.304 482 G C -0.335 174.563 174.900 -0.003 0.000 1.175 482 G CA -0.366 44.737 45.100 0.005 0.000 0.907 482 G HN 0.493 nan 8.290 nan 0.000 0.509 483 S N -0.390 115.303 115.700 -0.011 0.000 2.506 483 S HA 0.410 4.880 4.470 -0.000 0.000 0.291 483 S C 1.492 176.082 174.600 -0.016 0.000 1.230 483 S CA 1.017 59.209 58.200 -0.015 0.000 1.107 483 S CB -0.486 62.702 63.200 -0.019 0.000 0.942 483 S HN 2.161 nan 8.310 nan 0.000 0.502 484 G N 3.563 112.356 108.800 -0.011 0.000 2.184 484 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.206 484 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.206 484 G C 0.148 175.046 174.900 -0.003 0.000 0.995 484 G CA 0.021 45.115 45.100 -0.010 0.000 0.651 484 G HN 0.843 nan 8.290 nan 0.000 0.511 485 T N 1.780 116.336 114.554 0.003 0.000 2.889 485 T HA 0.616 4.966 4.350 -0.000 0.000 0.291 485 T C 0.216 174.927 174.700 0.018 0.000 0.995 485 T CA 0.518 62.625 62.100 0.012 0.000 1.092 485 T CB 1.682 70.562 68.868 0.022 0.000 0.954 485 T HN 0.364 nan 8.240 nan 0.000 0.506 486 S N 1.313 117.027 115.700 0.024 0.000 2.566 486 S HA 0.564 5.034 4.470 -0.000 0.000 0.298 486 S C -0.457 174.175 174.600 0.054 0.000 1.083 486 S CA -0.847 57.376 58.200 0.037 0.000 0.978 486 S CB 1.676 64.898 63.200 0.038 0.000 1.073 486 S HN 0.477 nan 8.310 nan 0.000 0.491 487 V N 2.607 122.557 119.914 0.060 0.000 2.348 487 V HA 0.404 4.524 4.120 -0.000 0.000 0.270 487 V C -0.006 176.134 176.094 0.076 0.000 1.037 487 V CA -0.413 61.924 62.300 0.061 0.000 0.872 487 V CB 1.144 32.994 31.823 0.044 0.000 1.002 487 V HN 0.668 nan 8.190 nan 0.000 0.464 488 V N 5.183 125.155 119.914 0.097 0.000 2.850 488 V HA 0.433 4.553 4.120 -0.000 0.000 0.315 488 V C 0.403 176.545 176.094 0.081 0.000 1.064 488 V CA -0.979 61.389 62.300 0.113 0.000 0.979 488 V CB 2.064 34.001 31.823 0.190 0.000 1.039 488 V HN 0.893 nan 8.190 nan 0.000 0.452 489 K N 2.288 122.730 120.400 0.069 0.000 2.448 489 K HA 0.285 4.605 4.320 -0.000 0.000 0.278 489 K C 0.425 177.022 176.600 -0.004 0.000 1.009 489 K CA 0.356 56.667 56.287 0.040 0.000 0.995 489 K CB 0.429 32.960 32.500 0.051 0.000 0.917 489 K HN 0.914 nan 8.250 nan 0.000 0.481 490 G N 3.587 112.357 108.800 -0.049 0.000 2.636 490 G HA2 0.065 4.025 3.960 -0.000 0.000 0.246 490 G HA3 0.065 4.025 3.960 -0.000 0.000 0.246 490 G C -1.317 173.471 174.900 -0.188 0.000 1.216 490 G CA -1.047 43.968 45.100 -0.141 0.000 0.854 490 G HN 0.603 nan 8.290 nan 0.000 0.572 491 P HA 0.092 nan 4.420 nan 0.000 0.227 491 P C 1.121 178.246 177.300 -0.291 0.000 1.161 491 P CA 1.404 64.314 63.100 -0.317 0.000 0.788 491 P CB 0.664 32.088 31.700 -0.461 0.000 0.822 492 G N 0.089 108.646 108.800 -0.406 0.000 2.617 492 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.197 492 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.197 492 G C 0.472 175.220 174.900 -0.254 0.000 1.017 492 G CA 0.112 45.057 45.100 -0.258 0.000 0.713 492 G HN 0.338 nan 8.290 nan 0.000 0.481 493 F N 1.931 121.787 119.950 -0.158 0.000 2.695 493 F HA 0.423 4.950 4.527 -0.000 0.000 0.303 493 F C 1.876 177.551 175.800 -0.207 0.000 1.091 493 F CA 0.966 58.865 58.000 -0.170 0.000 1.300 493 F CB -0.179 38.749 39.000 -0.119 0.000 1.071 493 F HN 0.171 nan 8.300 nan 0.000 0.578 494 T N -3.489 110.760 114.554 -0.507 0.000 3.086 494 T HA 0.407 4.756 4.350 -0.000 0.000 0.250 494 T C 1.728 176.292 174.700 -0.227 0.000 1.074 494 T CA 0.476 62.361 62.100 -0.358 0.000 0.988 494 T CB -0.300 68.281 68.868 -0.478 0.000 0.988 494 T HN 0.783 nan 8.240 nan 0.000 0.530 495 G N -0.122 108.555 108.800 -0.206 0.000 2.148 495 G HA2 0.186 4.146 3.960 -0.000 0.000 0.254 495 G HA3 0.186 4.146 3.960 -0.000 0.000 0.254 495 G C 0.532 175.351 174.900 -0.134 0.000 0.981 495 G CA -0.153 44.850 45.100 -0.161 0.000 0.670 495 G HN 1.545 nan 8.290 nan 0.000 0.528 496 G N -1.484 107.228 108.800 -0.146 0.000 2.335 496 G HA2 0.487 4.447 3.960 -0.000 0.000 0.291 496 G HA3 0.487 4.447 3.960 -0.000 0.000 0.291 496 G C -1.665 173.167 174.900 -0.113 0.000 1.261 496 G CA 0.131 45.168 45.100 -0.105 0.000 0.871 496 G HN 0.223 nan 8.290 nan 0.000 0.491 497 D N 0.002 120.354 120.400 -0.081 0.000 2.388 497 D HA 0.653 5.293 4.640 -0.000 0.000 0.254 497 D C 0.359 176.637 176.300 -0.036 0.000 1.111 497 D CA 0.147 54.112 54.000 -0.059 0.000 0.993 497 D CB 1.743 42.516 40.800 -0.045 0.000 1.118 497 D HN 0.680 nan 8.370 nan 0.000 0.502 498 I N -2.406 118.173 120.570 0.014 0.000 2.828 498 I HA 0.430 4.600 4.170 -0.000 0.000 0.302 498 I C -0.617 175.576 176.117 0.127 0.000 1.101 498 I CA -1.051 60.296 61.300 0.078 0.000 1.031 498 I CB 1.691 39.775 38.000 0.141 0.000 1.231 498 I HN 0.041 nan 8.210 nan 0.000 0.427 499 L N 3.572 124.872 121.223 0.129 0.000 2.453 499 L HA 0.567 4.907 4.340 -0.000 0.000 0.261 499 L C 0.150 177.100 176.870 0.133 0.000 1.179 499 L CA -0.440 54.466 54.840 0.111 0.000 0.813 499 L CB 0.851 42.960 42.059 0.084 0.000 1.110 499 L HN 0.748 nan 8.230 nan 0.000 0.466 500 R N 1.519 122.051 120.500 0.054 0.000 2.739 500 R HA 0.692 5.032 4.340 -0.000 0.000 0.271 500 R C -1.509 174.742 176.300 -0.083 0.000 1.010 500 R CA -0.835 55.213 56.100 -0.087 0.000 0.897 500 R CB 2.448 32.673 30.300 -0.126 0.000 1.236 500 R HN 0.751 nan 8.270 nan 0.000 0.466 501 R N 0.602 121.016 120.500 -0.143 0.000 2.604 501 R HA 0.187 4.527 4.340 -0.000 0.000 0.261 501 R C -0.976 175.295 176.300 -0.047 0.000 1.080 501 R CA -0.150 55.920 56.100 -0.050 0.000 0.917 501 R CB 1.775 32.082 30.300 0.012 0.000 1.252 501 R HN 0.842 nan 8.270 nan 0.000 0.456 502 T N -1.172 113.390 114.554 0.014 0.000 3.174 502 T HA 0.275 4.625 4.350 -0.000 0.000 0.269 502 T C -0.153 174.663 174.700 0.194 0.000 1.017 502 T CA 0.247 62.386 62.100 0.065 0.000 0.899 502 T CB -0.114 68.761 68.868 0.012 0.000 1.077 502 T HN 0.527 nan 8.240 nan 0.000 0.552 503 S N -0.532 115.295 115.700 0.212 0.000 2.587 503 S HA 0.645 5.115 4.470 -0.000 0.000 0.269 503 S C -3.509 170.872 174.600 -0.365 0.000 1.154 503 S CA -1.451 56.701 58.200 -0.079 0.000 0.824 503 S CB 0.981 64.109 63.200 -0.120 0.000 1.118 503 S HN -0.041 nan 8.310 nan 0.000 0.462 504 P HA 0.524 nan 4.420 nan 0.000 0.266 504 P C 0.388 177.469 177.300 -0.365 0.000 1.195 504 P CA 0.847 63.495 63.100 -0.753 0.000 0.768 504 P CB 0.320 31.634 31.700 -0.643 0.000 0.838 505 G N 0.904 109.482 108.800 -0.370 0.000 2.324 505 G HA2 0.159 4.119 3.960 -0.000 0.000 0.293 505 G HA3 0.159 4.119 3.960 -0.000 0.000 0.293 505 G C -1.919 172.859 174.900 -0.202 0.000 1.297 505 G CA -0.707 44.259 45.100 -0.224 0.000 0.853 505 G HN 0.533 nan 8.290 nan 0.000 0.535 506 Q N -0.331 119.414 119.800 -0.092 0.000 2.267 506 Q HA 0.530 4.870 4.340 -0.000 0.000 0.255 506 Q C 0.572 176.567 176.000 -0.009 0.000 0.923 506 Q CA -0.536 55.241 55.803 -0.042 0.000 0.925 506 Q CB 1.117 29.849 28.738 -0.011 0.000 1.195 506 Q HN 0.436 nan 8.270 nan 0.000 0.417 507 I N 1.878 122.461 120.570 0.022 0.000 2.188 507 I HA -0.098 4.072 4.170 -0.000 0.000 0.237 507 I C 0.792 176.941 176.117 0.052 0.000 1.073 507 I CA 0.977 62.306 61.300 0.048 0.000 1.359 507 I CB 0.136 38.186 38.000 0.083 0.000 1.083 507 I HN 0.776 nan 8.210 nan 0.000 0.412 508 S N -1.930 113.812 115.700 0.070 0.000 2.703 508 S HA 0.531 5.001 4.470 -0.000 0.000 0.273 508 S C -0.743 173.917 174.600 0.100 0.000 1.178 508 S CA -0.803 57.442 58.200 0.075 0.000 0.838 508 S CB 1.902 65.150 63.200 0.079 0.000 1.178 508 S HN 0.013 nan 8.310 nan 0.000 0.494 509 T N 1.569 116.186 114.554 0.105 0.000 2.952 509 T HA 0.677 5.027 4.350 -0.000 0.000 0.305 509 T C -1.125 173.659 174.700 0.140 0.000 1.064 509 T CA -0.736 61.440 62.100 0.127 0.000 1.008 509 T CB 1.009 69.926 68.868 0.082 0.000 1.078 509 T HN 1.028 nan 8.240 nan 0.000 0.459 510 L N 0.052 121.392 121.223 0.194 0.000 2.422 510 L HA 0.898 5.238 4.340 -0.000 0.000 0.264 510 L C -0.583 176.376 176.870 0.147 0.000 0.984 510 L CA -1.453 53.479 54.840 0.155 0.000 0.819 510 L CB 1.945 44.089 42.059 0.142 0.000 1.330 510 L HN 0.423 nan 8.230 nan 0.000 0.410 511 R N 1.521 122.075 120.500 0.089 0.000 2.441 511 R HA 0.748 5.088 4.340 -0.000 0.000 0.284 511 R C -1.433 174.873 176.300 0.011 0.000 1.070 511 R CA -0.164 55.974 56.100 0.063 0.000 1.047 511 R CB 1.479 31.811 30.300 0.053 0.000 1.016 511 R HN 0.609 nan 8.270 nan 0.000 0.477 512 V N 4.316 124.206 119.914 -0.040 0.000 2.808 512 V HA 0.361 4.481 4.120 -0.000 0.000 0.308 512 V C -1.166 174.794 176.094 -0.223 0.000 1.099 512 V CA -0.961 61.232 62.300 -0.179 0.000 0.920 512 V CB 2.426 34.062 31.823 -0.311 0.000 1.014 512 V HN 0.911 nan 8.190 nan 0.000 0.425 513 N N 3.632 122.193 118.700 -0.232 0.000 2.446 513 N HA 0.670 5.409 4.740 -0.000 0.000 0.265 513 N C -1.083 174.258 175.510 -0.281 0.000 0.975 513 N CA -0.387 52.546 53.050 -0.196 0.000 0.928 513 N CB 1.613 40.045 38.487 -0.092 0.000 1.160 513 N HN 0.517 nan 8.380 nan 0.000 0.495 514 I N 1.268 121.649 120.570 -0.314 0.000 2.304 514 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 514 I C 1.546 177.588 176.117 -0.126 0.000 1.018 514 I CA -0.250 60.862 61.300 -0.312 0.000 1.260 514 I CB 1.261 39.020 38.000 -0.401 0.000 1.390 514 I HN 0.647 nan 8.210 nan 0.000 0.475 515 T N 1.911 116.417 114.554 -0.079 0.000 3.037 515 T HA 0.391 4.741 4.350 -0.000 0.000 0.251 515 T C 0.836 175.551 174.700 0.025 0.000 1.079 515 T CA 0.052 62.142 62.100 -0.018 0.000 1.067 515 T CB 0.133 68.994 68.868 -0.011 0.000 0.948 515 T HN 0.517 nan 8.240 nan 0.000 0.496 516 A N 2.734 125.587 122.820 0.056 0.000 2.351 516 A HA 0.608 4.928 4.320 -0.000 0.000 0.257 516 A C -2.428 175.224 177.584 0.113 0.000 1.087 516 A CA -1.578 50.527 52.037 0.113 0.000 0.798 516 A CB -0.244 18.893 19.000 0.229 0.000 1.033 516 A HN 0.240 nan 8.150 nan 0.000 0.488 517 P HA -0.018 nan 4.420 nan 0.000 0.264 517 P C 0.806 178.184 177.300 0.131 0.000 1.183 517 P CA -0.257 62.896 63.100 0.088 0.000 0.763 517 P CB 0.320 32.057 31.700 0.062 0.000 0.807 518 L N 1.897 123.200 121.223 0.133 0.000 2.349 518 L HA -0.136 4.204 4.340 -0.000 0.000 0.220 518 L C 1.852 178.821 176.870 0.166 0.000 1.130 518 L CA 1.786 56.738 54.840 0.187 0.000 0.791 518 L CB -1.740 40.416 42.059 0.162 0.000 0.918 518 L HN 0.357 nan 8.230 nan 0.000 0.444 519 S N -1.323 114.440 115.700 0.105 0.000 2.419 519 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 519 S C 1.104 175.727 174.600 0.039 0.000 1.016 519 S CA 0.518 58.757 58.200 0.066 0.000 0.974 519 S CB -0.195 63.030 63.200 0.042 0.000 0.786 519 S HN 0.454 nan 8.310 nan 0.000 0.492 520 Q N 1.979 121.802 119.800 0.038 0.000 2.300 520 Q HA 0.101 4.441 4.340 -0.000 0.000 0.280 520 Q C -0.081 175.826 176.000 -0.154 0.000 1.033 520 Q CA 0.526 56.274 55.803 -0.091 0.000 0.903 520 Q CB 0.436 29.097 28.738 -0.129 0.000 1.195 520 Q HN 0.306 nan 8.270 nan 0.000 0.386 521 R N 3.015 123.350 120.500 -0.276 0.000 2.428 521 R HA 0.417 4.757 4.340 -0.000 0.000 0.294 521 R C -0.587 175.390 176.300 -0.538 0.000 1.000 521 R CA -0.319 55.614 56.100 -0.278 0.000 0.960 521 R CB 0.522 30.716 30.300 -0.176 0.000 1.076 521 R HN 0.482 nan 8.270 nan 0.000 0.475 522 Y N 0.081 120.101 120.300 -0.467 0.000 2.633 522 Y HA 0.550 5.099 4.550 -0.000 0.000 0.339 522 Y C 0.451 175.994 175.900 -0.594 0.000 1.045 522 Y CA -0.880 56.940 58.100 -0.467 0.000 1.098 522 Y CB 2.092 40.314 38.460 -0.397 0.000 1.296 522 Y HN 0.315 nan 8.280 nan 0.000 0.494 523 R N 0.374 120.854 120.500 -0.034 0.000 2.725 523 R HA 0.801 5.141 4.340 -0.000 0.000 0.277 523 R C -2.159 174.264 176.300 0.205 0.000 0.987 523 R CA -0.797 55.367 56.100 0.107 0.000 0.901 523 R CB 2.146 32.495 30.300 0.082 0.000 1.207 523 R HN 0.513 nan 8.270 nan 0.000 0.463 524 V N 3.617 123.729 119.914 0.330 0.000 2.555 524 V HA 0.577 4.697 4.120 -0.000 0.000 0.302 524 V C -0.176 175.965 176.094 0.077 0.000 1.038 524 V CA -0.731 61.654 62.300 0.141 0.000 0.887 524 V CB 1.896 33.871 31.823 0.254 0.000 0.991 524 V HN 0.718 nan 8.190 nan 0.000 0.434 525 R N 3.709 124.177 120.500 -0.054 0.000 2.873 525 R HA 0.779 5.119 4.340 -0.000 0.000 0.264 525 R C -1.402 174.845 176.300 -0.089 0.000 1.026 525 R CA -0.892 55.176 56.100 -0.055 0.000 1.002 525 R CB 2.491 32.776 30.300 -0.023 0.000 1.174 525 R HN 0.540 nan 8.270 nan 0.000 0.488 526 I N 1.489 122.027 120.570 -0.054 0.000 2.500 526 I HA 0.275 4.445 4.170 -0.000 0.000 0.286 526 I C -0.490 175.699 176.117 0.120 0.000 1.063 526 I CA -0.639 60.596 61.300 -0.109 0.000 1.062 526 I CB 2.140 39.841 38.000 -0.497 0.000 1.223 526 I HN 0.372 nan 8.210 nan 0.000 0.435 527 R N 6.845 127.429 120.500 0.140 0.000 2.234 527 R HA 0.510 4.850 4.340 -0.000 0.000 0.324 527 R C -1.499 175.022 176.300 0.369 0.000 1.054 527 R CA 0.040 56.291 56.100 0.252 0.000 0.912 527 R CB 0.558 30.973 30.300 0.192 0.000 1.030 527 R HN 0.565 nan 8.270 nan 0.000 0.455 528 Y N 1.154 121.608 120.300 0.258 0.000 2.725 528 Y HA 0.775 5.325 4.550 -0.000 0.000 0.333 528 Y C -1.972 173.906 175.900 -0.038 0.000 1.242 528 Y CA -1.250 56.959 58.100 0.181 0.000 1.059 528 Y CB 0.779 39.295 38.460 0.093 0.000 1.306 528 Y HN 0.634 nan 8.280 nan 0.000 0.454 529 A N 1.134 123.681 122.820 -0.455 0.000 2.498 529 A HA 0.867 5.187 4.320 -0.000 0.000 0.298 529 A C -1.092 176.451 177.584 -0.069 0.000 1.075 529 A CA -0.210 51.476 52.037 -0.584 0.000 0.714 529 A CB 1.665 20.127 19.000 -0.897 0.000 1.299 529 A HN 1.455 nan 8.150 nan 0.000 0.407 530 S N -0.497 115.175 115.700 -0.046 0.000 2.548 530 S HA 0.474 4.944 4.470 -0.000 0.000 0.278 530 S C 0.323 174.908 174.600 -0.026 0.000 1.150 530 S CA 0.312 58.520 58.200 0.013 0.000 0.907 530 S CB 1.039 64.310 63.200 0.117 0.000 1.108 530 S HN 1.571 nan 8.310 nan 0.000 0.459 531 T N 0.345 114.867 114.554 -0.053 0.000 3.169 531 T HA 0.309 4.659 4.350 -0.000 0.000 0.250 531 T C 0.710 175.385 174.700 -0.043 0.000 1.111 531 T CA 0.433 62.513 62.100 -0.033 0.000 1.010 531 T CB -0.094 68.762 68.868 -0.021 0.000 0.984 531 T HN 0.620 nan 8.240 nan 0.000 0.537 532 T N 1.101 115.606 114.554 -0.081 0.000 2.864 532 T HA 0.407 4.757 4.350 -0.000 0.000 0.299 532 T C -1.476 173.181 174.700 -0.072 0.000 1.166 532 T CA -0.930 61.122 62.100 -0.080 0.000 1.007 532 T CB 1.343 70.128 68.868 -0.138 0.000 1.219 532 T HN 0.104 nan 8.240 nan 0.000 0.506 533 N N 1.608 120.294 118.700 -0.023 0.000 2.515 533 N HA 0.694 5.433 4.740 -0.000 0.000 0.279 533 N C -0.564 174.924 175.510 -0.037 0.000 1.164 533 N CA -0.216 52.838 53.050 0.006 0.000 0.982 533 N CB 1.305 39.818 38.487 0.042 0.000 1.170 533 N HN 0.628 nan 8.380 nan 0.000 0.474 534 L N -1.912 119.281 121.223 -0.049 0.000 3.064 534 L HA 0.474 4.814 4.340 -0.000 0.000 0.282 534 L C -1.098 175.747 176.870 -0.040 0.000 1.045 534 L CA -0.950 53.850 54.840 -0.067 0.000 0.986 534 L CB 0.807 42.660 42.059 -0.343 0.000 1.571 534 L HN 0.359 nan 8.230 nan 0.000 0.377 535 Q N -0.029 119.765 119.800 -0.010 0.000 2.348 535 Q HA 0.745 5.084 4.340 -0.000 0.000 0.271 535 Q C -1.858 174.119 176.000 -0.038 0.000 1.067 535 Q CA -0.509 55.402 55.803 0.180 0.000 0.839 535 Q CB 2.760 31.765 28.738 0.444 0.000 1.354 535 Q HN 0.489 nan 8.270 nan 0.000 0.447 536 F N 0.805 120.964 119.950 0.348 0.000 2.507 536 F HA 0.418 4.945 4.527 -0.000 0.000 0.325 536 F C -0.109 176.070 175.800 0.632 0.000 1.116 536 F CA -0.384 57.719 58.000 0.171 0.000 0.930 536 F CB 1.472 40.219 39.000 -0.421 0.000 1.146 536 F HN 0.436 nan 8.300 nan 0.000 0.447 537 H N 0.335 119.645 119.070 0.400 0.000 2.622 537 H HA 0.671 5.226 4.556 -0.000 0.000 0.363 537 H C -0.643 174.734 175.328 0.083 0.000 1.151 537 H CA -1.072 55.096 56.048 0.200 0.000 1.184 537 H CB 2.468 32.319 29.762 0.149 0.000 1.643 537 H HN 0.570 nan 8.280 nan 0.000 0.531 538 T N -0.641 113.903 114.554 -0.017 0.000 2.906 538 T HA 0.586 4.936 4.350 -0.000 0.000 0.295 538 T C -0.452 174.023 174.700 -0.375 0.000 1.061 538 T CA -1.037 60.890 62.100 -0.288 0.000 1.000 538 T CB 1.898 70.544 68.868 -0.370 0.000 1.103 538 T HN 0.633 nan 8.240 nan 0.000 0.486 539 S N 1.068 116.461 115.700 -0.511 0.000 2.546 539 S HA 0.699 5.169 4.470 -0.000 0.000 0.272 539 S C -1.199 173.172 174.600 -0.383 0.000 1.140 539 S CA -1.001 56.986 58.200 -0.355 0.000 0.920 539 S CB 0.924 64.011 63.200 -0.189 0.000 1.083 539 S HN 0.830 nan 8.310 nan 0.000 0.476 540 I N 2.166 122.583 120.570 -0.255 0.000 2.378 540 I HA 0.376 4.546 4.170 -0.000 0.000 0.291 540 I C -0.542 175.555 176.117 -0.033 0.000 0.992 540 I CA -0.494 60.744 61.300 -0.105 0.000 1.154 540 I CB 1.385 39.343 38.000 -0.069 0.000 1.315 540 I HN 0.775 nan 8.210 nan 0.000 0.448 541 D N 5.616 126.028 120.400 0.020 0.000 2.689 541 D HA -0.203 4.437 4.640 -0.000 0.000 0.237 541 D C 1.134 177.434 176.300 -0.000 0.000 1.148 541 D CA 1.452 55.470 54.000 0.029 0.000 0.656 541 D CB -0.728 40.104 40.800 0.053 0.000 1.050 541 D HN 1.164 nan 8.370 nan 0.000 0.426 542 G N -0.266 108.521 108.800 -0.021 0.000 2.347 542 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.247 542 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.247 542 G C 0.456 175.329 174.900 -0.044 0.000 1.037 542 G CA 0.507 45.591 45.100 -0.027 0.000 0.622 542 G HN 0.519 nan 8.290 nan 0.000 0.521 543 R N 1.685 122.154 120.500 -0.051 0.000 2.347 543 R HA 0.428 4.768 4.340 -0.000 0.000 0.304 543 R C -2.545 173.691 176.300 -0.107 0.000 1.072 543 R CA -1.512 54.549 56.100 -0.065 0.000 0.980 543 R CB 0.534 30.802 30.300 -0.053 0.000 0.986 543 R HN 0.183 nan 8.270 nan 0.000 0.448 544 P HA -0.011 nan 4.420 nan 0.000 0.268 544 P C 0.046 177.242 177.300 -0.172 0.000 1.204 544 P CA 0.193 63.216 63.100 -0.128 0.000 0.768 544 P CB 0.668 32.310 31.700 -0.096 0.000 0.842 545 I N 0.755 121.176 120.570 -0.248 0.000 3.650 545 I HA 0.185 4.355 4.170 -0.000 0.000 0.261 545 I C 0.570 176.495 176.117 -0.320 0.000 1.154 545 I CA 1.066 62.192 61.300 -0.291 0.000 1.418 545 I CB -0.481 37.254 38.000 -0.443 0.000 1.539 545 I HN 0.312 nan 8.210 nan 0.000 0.449 546 N N 1.519 119.944 118.700 -0.459 0.000 2.312 546 N HA 0.483 5.222 4.740 -0.000 0.000 0.296 546 N C -0.969 174.130 175.510 -0.686 0.000 1.193 546 N CA -0.264 52.371 53.050 -0.691 0.000 0.773 546 N CB 3.157 40.835 38.487 -1.348 0.000 1.435 546 N HN 0.150 nan 8.380 nan 0.000 0.484 547 Q N -0.029 119.418 119.800 -0.589 0.000 2.386 547 Q HA 0.669 5.009 4.340 -0.000 0.000 0.274 547 Q C -1.691 174.354 176.000 0.075 0.000 1.011 547 Q CA -0.881 54.734 55.803 -0.313 0.000 0.867 547 Q CB 2.029 30.426 28.738 -0.569 0.000 1.409 547 Q HN 0.704 nan 8.270 nan 0.000 0.395 548 G N 1.701 110.769 108.800 0.447 0.000 2.523 548 G HA2 0.388 4.348 3.960 -0.000 0.000 0.291 548 G HA3 0.388 4.348 3.960 -0.000 0.000 0.291 548 G C -1.870 173.299 174.900 0.449 0.000 1.450 548 G CA -0.919 44.431 45.100 0.416 0.000 0.790 548 G HN 0.534 nan 8.290 nan 0.000 0.496 549 N N -0.332 118.474 118.700 0.176 0.000 2.438 549 N HA 0.725 5.465 4.740 -0.000 0.000 0.282 549 N C -1.272 174.267 175.510 0.049 0.000 1.037 549 N CA -0.184 52.976 53.050 0.184 0.000 0.942 549 N CB 1.146 39.685 38.487 0.088 0.000 1.136 549 N HN 0.261 nan 8.380 nan 0.000 0.481 550 F N -0.277 119.662 119.950 -0.019 0.000 2.546 550 F HA 0.506 5.033 4.527 -0.000 0.000 0.320 550 F C 0.945 176.752 175.800 0.011 0.000 1.076 550 F CA -0.968 57.024 58.000 -0.013 0.000 0.928 550 F CB 1.361 40.263 39.000 -0.164 0.000 1.189 550 F HN 0.330 nan 8.300 nan 0.000 0.465 551 S N 1.096 116.954 115.700 0.264 0.000 2.730 551 S HA 0.887 5.357 4.470 -0.000 0.000 0.284 551 S C -0.055 174.679 174.600 0.223 0.000 1.153 551 S CA -0.745 57.563 58.200 0.179 0.000 0.995 551 S CB 1.380 64.649 63.200 0.114 0.000 1.058 551 S HN 0.896 nan 8.310 nan 0.000 0.552 552 A N 0.450 123.340 122.820 0.117 0.000 2.409 552 A HA 0.498 4.818 4.320 -0.000 0.000 0.246 552 A C 1.208 178.827 177.584 0.057 0.000 1.099 552 A CA 0.264 52.349 52.037 0.080 0.000 0.789 552 A CB -0.406 18.613 19.000 0.031 0.000 1.053 552 A HN 1.536 nan 8.150 nan 0.000 0.503 553 T N -3.045 111.506 114.554 -0.005 0.000 3.080 553 T HA 0.430 4.780 4.350 -0.000 0.000 0.280 553 T C 0.014 174.679 174.700 -0.058 0.000 0.926 553 T CA 0.588 62.651 62.100 -0.061 0.000 0.883 553 T CB -0.669 68.086 68.868 -0.188 0.000 1.194 553 T HN 1.342 nan 8.240 nan 0.000 0.541 554 M N -0.422 119.155 119.600 -0.039 0.000 2.643 554 M HA 0.706 5.186 4.480 -0.000 0.000 0.276 554 M C -1.708 174.586 176.300 -0.010 0.000 1.200 554 M CA -0.771 54.513 55.300 -0.028 0.000 0.863 554 M CB 1.817 34.392 32.600 -0.042 0.000 1.711 554 M HN -0.194 nan 8.290 nan 0.000 0.492 555 S N 1.335 117.033 115.700 -0.002 0.000 2.603 555 S HA 0.391 4.861 4.470 -0.000 0.000 0.268 555 S C -0.030 174.577 174.600 0.011 0.000 1.317 555 S CA -0.540 57.663 58.200 0.005 0.000 1.012 555 S CB 1.121 64.325 63.200 0.006 0.000 0.926 555 S HN 0.644 nan 8.310 nan 0.000 0.539 556 S N 1.432 117.140 115.700 0.013 0.000 2.537 556 S HA 0.415 4.885 4.470 -0.000 0.000 0.286 556 S C 1.285 175.899 174.600 0.024 0.000 1.299 556 S CA 0.385 58.597 58.200 0.020 0.000 1.067 556 S CB 0.376 63.587 63.200 0.018 0.000 0.864 556 S HN 1.208 nan 8.310 nan 0.000 0.494 557 G N 2.649 111.470 108.800 0.035 0.000 2.136 557 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.242 557 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.242 557 G C 0.077 174.993 174.900 0.026 0.000 0.989 557 G CA 0.033 45.152 45.100 0.032 0.000 0.682 557 G HN 0.677 nan 8.290 nan 0.000 0.522 558 S N 0.870 116.585 115.700 0.025 0.000 2.585 558 S HA 0.560 5.030 4.470 -0.000 0.000 0.277 558 S C 0.318 174.926 174.600 0.012 0.000 1.241 558 S CA -0.373 57.836 58.200 0.015 0.000 1.041 558 S CB 1.094 64.299 63.200 0.008 0.000 0.987 558 S HN 0.710 nan 8.310 nan 0.000 0.512 559 N N 2.077 120.783 118.700 0.010 0.000 2.434 559 N HA 0.219 4.958 4.740 -0.000 0.000 0.272 559 N C -0.945 174.578 175.510 0.021 0.000 1.040 559 N CA -0.611 52.443 53.050 0.008 0.000 0.956 559 N CB 0.035 38.528 38.487 0.010 0.000 1.108 559 N HN 0.227 nan 8.380 nan 0.000 0.481 560 L N 1.308 122.536 121.223 0.008 0.000 2.578 560 L HA -0.012 4.328 4.340 -0.000 0.000 0.279 560 L C 0.948 177.961 176.870 0.237 0.000 1.227 560 L CA 1.129 56.027 54.840 0.097 0.000 0.900 560 L CB -0.528 41.579 42.059 0.079 0.000 1.144 560 L HN 0.581 nan 8.230 nan 0.000 0.496 561 Q N 0.363 120.339 119.800 0.292 0.000 2.626 561 Q HA 0.307 4.647 4.340 -0.000 0.000 0.300 561 Q C 0.838 176.889 176.000 0.086 0.000 0.988 561 Q CA -0.177 55.753 55.803 0.212 0.000 0.761 561 Q CB 1.766 30.545 28.738 0.068 0.000 1.494 561 Q HN 0.630 nan 8.270 nan 0.000 0.439 562 S N -0.688 114.725 115.700 -0.478 0.000 2.387 562 S HA -0.191 4.279 4.470 -0.000 0.000 0.230 562 S C 1.646 176.191 174.600 -0.092 0.000 1.035 562 S CA 1.502 59.310 58.200 -0.653 0.000 1.014 562 S CB -0.684 62.111 63.200 -0.674 0.000 0.836 562 S HN 0.870 nan 8.310 nan 0.000 0.466 563 G N 1.114 109.888 108.800 -0.043 0.000 2.443 563 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.219 563 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.219 563 G C 1.478 176.394 174.900 0.026 0.000 1.131 563 G CA 0.814 45.913 45.100 -0.002 0.000 0.775 563 G HN 0.587 nan 8.290 nan 0.000 0.547 564 S N 0.102 115.841 115.700 0.065 0.000 2.442 564 S HA 0.117 4.587 4.470 -0.000 0.000 0.236 564 S C 0.415 174.888 174.600 -0.211 0.000 1.007 564 S CA 0.368 58.532 58.200 -0.061 0.000 0.965 564 S CB -0.155 63.000 63.200 -0.075 0.000 0.773 564 S HN 0.245 nan 8.310 nan 0.000 0.504 565 F N 1.432 121.354 119.950 -0.046 0.000 2.399 565 F HA 0.599 5.126 4.527 -0.000 0.000 0.328 565 F C 0.855 176.574 175.800 -0.135 0.000 1.084 565 F CA -0.748 57.197 58.000 -0.091 0.000 1.053 565 F CB 0.745 39.770 39.000 0.042 0.000 1.209 565 F HN -0.270 nan 8.300 nan 0.000 0.502 566 R N 0.209 120.672 120.500 -0.062 0.000 2.698 566 R HA 0.479 4.819 4.340 -0.000 0.000 0.275 566 R C -1.474 174.881 176.300 0.090 0.000 1.001 566 R CA -0.881 55.201 56.100 -0.030 0.000 0.896 566 R CB 1.993 32.223 30.300 -0.116 0.000 1.218 566 R HN 0.538 nan 8.270 nan 0.000 0.462 567 T N 1.371 116.010 114.554 0.142 0.000 2.842 567 T HA 0.409 4.758 4.350 -0.000 0.000 0.308 567 T C -0.272 174.522 174.700 0.156 0.000 1.041 567 T CA -0.463 61.737 62.100 0.166 0.000 0.964 567 T CB 1.162 70.096 68.868 0.111 0.000 0.972 567 T HN 0.123 nan 8.240 nan 0.000 0.460 568 V N 2.552 122.620 119.914 0.255 0.000 2.581 568 V HA 0.857 4.977 4.120 -0.000 0.000 0.303 568 V C 0.760 176.887 176.094 0.055 0.000 1.041 568 V CA -0.640 61.765 62.300 0.175 0.000 0.907 568 V CB 2.080 34.089 31.823 0.311 0.000 0.994 568 V HN 0.936 nan 8.190 nan 0.000 0.442 569 G N 1.670 110.431 108.800 -0.065 0.000 2.552 569 G HA2 0.696 4.656 3.960 -0.000 0.000 0.324 569 G HA3 0.696 4.656 3.960 -0.000 0.000 0.324 569 G C -1.450 173.358 174.900 -0.152 0.000 1.217 569 G CA -0.441 44.606 45.100 -0.089 0.000 0.989 569 G HN 0.321 nan 8.290 nan 0.000 0.490 570 F N -0.523 119.482 119.950 0.093 0.000 2.458 570 F HA 0.374 4.901 4.527 -0.000 0.000 0.330 570 F C 1.859 177.687 175.800 0.046 0.000 1.082 570 F CA -0.568 57.480 58.000 0.081 0.000 0.995 570 F CB 2.216 41.316 39.000 0.166 0.000 1.170 570 F HN 0.525 nan 8.300 nan 0.000 0.478 571 T N -2.894 111.792 114.554 0.220 0.000 2.937 571 T HA -0.015 4.335 4.350 -0.000 0.000 0.260 571 T C 0.787 175.551 174.700 0.107 0.000 1.051 571 T CA 0.574 62.742 62.100 0.113 0.000 1.141 571 T CB -0.546 68.359 68.868 0.061 0.000 0.879 571 T HN 0.430 nan 8.240 nan 0.000 0.459 572 T N 5.330 119.957 114.554 0.121 0.000 2.779 572 T HA 0.347 4.697 4.350 -0.000 0.000 0.296 572 T C -2.166 172.617 174.700 0.138 0.000 0.938 572 T CA -1.081 61.075 62.100 0.092 0.000 1.119 572 T CB 1.072 69.972 68.868 0.054 0.000 0.891 572 T HN 0.334 nan 8.240 nan 0.000 0.526 573 P HA 0.524 nan 4.420 nan 0.000 0.279 573 P C -0.845 176.529 177.300 0.124 0.000 1.282 573 P CA -0.514 62.612 63.100 0.042 0.000 0.788 573 P CB 0.658 32.334 31.700 -0.040 0.000 1.139 574 F N -2.720 117.254 119.950 0.040 0.000 2.741 574 F HA 0.615 5.142 4.527 -0.000 0.000 0.313 574 F C -1.442 174.372 175.800 0.023 0.000 1.153 574 F CA -1.128 56.872 58.000 -0.000 0.000 0.931 574 F CB 0.662 39.629 39.000 -0.054 0.000 1.335 574 F HN 0.124 nan 8.300 nan 0.000 0.460 575 N N -0.335 118.519 118.700 0.257 0.000 2.381 575 N HA 0.669 5.409 4.740 -0.000 0.000 0.294 575 N C -1.938 173.745 175.510 0.289 0.000 1.216 575 N CA -0.586 52.599 53.050 0.225 0.000 0.803 575 N CB 1.780 40.370 38.487 0.172 0.000 1.372 575 N HN 0.468 nan 8.380 nan 0.000 0.500 576 F N -0.036 120.137 119.950 0.372 0.000 2.422 576 F HA 0.314 4.841 4.527 -0.000 0.000 0.333 576 F C 1.255 177.167 175.800 0.186 0.000 1.095 576 F CA -0.349 57.828 58.000 0.295 0.000 1.038 576 F CB 1.738 40.879 39.000 0.235 0.000 1.156 576 F HN 0.515 nan 8.300 nan 0.000 0.483 577 S N 0.826 116.718 115.700 0.320 0.000 2.470 577 S HA 0.143 4.613 4.470 -0.000 0.000 0.222 577 S C 0.155 174.859 174.600 0.173 0.000 1.024 577 S CA -0.009 58.311 58.200 0.201 0.000 0.931 577 S CB -0.138 63.147 63.200 0.141 0.000 0.791 577 S HN 0.575 nan 8.310 nan 0.000 0.513 578 N N -0.039 118.775 118.700 0.189 0.000 2.405 578 N HA 0.354 5.094 4.740 -0.000 0.000 0.285 578 N C 0.822 176.383 175.510 0.084 0.000 1.262 578 N CA -0.268 52.854 53.050 0.120 0.000 0.773 578 N CB 1.313 39.858 38.487 0.096 0.000 1.490 578 N HN 0.138 nan 8.380 nan 0.000 0.486 579 G N 0.334 109.156 108.800 0.038 0.000 2.418 579 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 579 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 579 G C 0.174 175.038 174.900 -0.059 0.000 1.158 579 G CA 0.740 45.830 45.100 -0.017 0.000 0.771 579 G HN 0.447 nan 8.290 nan 0.000 0.545 580 S N 0.141 115.832 115.700 -0.015 0.000 2.474 580 S HA 0.658 5.128 4.470 -0.000 0.000 0.321 580 S C -0.476 174.139 174.600 0.025 0.000 1.080 580 S CA -0.546 57.645 58.200 -0.015 0.000 1.106 580 S CB 1.789 64.996 63.200 0.011 0.000 0.984 580 S HN 0.243 nan 8.310 nan 0.000 0.464 581 S N 1.645 117.362 115.700 0.028 0.000 2.634 581 S HA 0.629 5.099 4.470 -0.000 0.000 0.296 581 S C -0.685 173.996 174.600 0.136 0.000 1.104 581 S CA -0.784 57.487 58.200 0.119 0.000 0.920 581 S CB 1.596 64.946 63.200 0.250 0.000 1.111 581 S HN 0.428 nan 8.310 nan 0.000 0.493 582 V N 2.556 122.563 119.914 0.156 0.000 2.328 582 V HA 0.443 4.563 4.120 -0.000 0.000 0.278 582 V C -0.983 175.241 176.094 0.217 0.000 1.021 582 V CA -0.506 61.888 62.300 0.157 0.000 0.838 582 V CB 0.361 32.243 31.823 0.098 0.000 0.999 582 V HN 0.779 nan 8.190 nan 0.000 0.447 583 F N 4.239 124.260 119.950 0.118 0.000 2.415 583 F HA 0.702 5.229 4.527 -0.000 0.000 0.348 583 F C 0.377 176.241 175.800 0.107 0.000 1.119 583 F CA 0.092 58.177 58.000 0.143 0.000 1.069 583 F CB 1.535 40.688 39.000 0.254 0.000 1.124 583 F HN 0.483 nan 8.300 nan 0.000 0.472 584 T N 7.122 121.529 114.554 -0.245 0.000 2.887 584 T HA 0.624 4.974 4.350 -0.000 0.000 0.288 584 T C -1.594 172.996 174.700 -0.183 0.000 1.021 584 T CA -0.580 61.469 62.100 -0.085 0.000 1.000 584 T CB 1.759 70.586 68.868 -0.069 0.000 1.034 584 T HN 0.574 nan 8.240 nan 0.000 0.467 585 L N 2.604 123.849 121.223 0.037 0.000 2.408 585 L HA 0.823 5.163 4.340 -0.000 0.000 0.268 585 L C -0.713 176.216 176.870 0.098 0.000 0.986 585 L CA -0.130 54.765 54.840 0.093 0.000 0.820 585 L CB 1.932 44.117 42.059 0.210 0.000 1.303 585 L HN 0.839 nan 8.230 nan 0.000 0.411 586 S N 2.898 118.679 115.700 0.134 0.000 2.618 586 S HA 1.002 5.472 4.470 -0.000 0.000 0.277 586 S C -0.883 173.724 174.600 0.010 0.000 1.138 586 S CA -0.430 57.788 58.200 0.029 0.000 0.844 586 S CB 1.612 64.789 63.200 -0.039 0.000 1.127 586 S HN 1.060 nan 8.310 nan 0.000 0.474 587 A N 1.372 124.043 122.820 -0.249 0.000 2.355 587 A HA 0.863 5.182 4.320 -0.000 0.000 0.317 587 A C -0.748 176.509 177.584 -0.544 0.000 1.094 587 A CA -0.598 51.279 52.037 -0.266 0.000 0.764 587 A CB 0.839 19.799 19.000 -0.067 0.000 1.230 587 A HN 0.877 nan 8.150 nan 0.000 0.448 588 H N -0.248 118.786 119.070 -0.060 0.000 2.959 588 H HA 0.496 5.052 4.556 -0.000 0.000 0.296 588 H C -0.462 174.902 175.328 0.059 0.000 1.421 588 H CA -0.053 55.918 56.048 -0.128 0.000 1.206 588 H CB 1.677 31.271 29.762 -0.279 0.000 1.891 588 H HN 0.866 nan 8.280 nan 0.000 0.573 589 V N 0.425 120.398 119.914 0.098 0.000 6.216 589 V HA -0.277 3.843 4.120 -0.000 0.000 0.313 589 V C -0.831 175.393 176.094 0.217 0.000 0.538 589 V CA 1.330 63.699 62.300 0.114 0.000 0.645 589 V CB -2.927 28.981 31.823 0.142 0.000 0.287 589 V HN 0.708 nan 8.190 nan 0.000 0.833 590 F N -1.369 118.561 119.950 -0.033 0.000 2.744 590 F HA 0.664 5.191 4.527 -0.000 0.000 0.311 590 F C -0.466 175.311 175.800 -0.039 0.000 1.144 590 F CA -1.332 56.643 58.000 -0.042 0.000 0.938 590 F CB 1.038 39.996 39.000 -0.070 0.000 1.292 590 F HN -0.069 nan 8.300 nan 0.000 0.444 591 N N 1.654 120.450 118.700 0.161 0.000 2.525 591 N HA 0.238 4.978 4.740 -0.000 0.000 0.271 591 N C -0.516 175.058 175.510 0.107 0.000 1.194 591 N CA -0.253 52.829 53.050 0.054 0.000 0.964 591 N CB 1.563 40.090 38.487 0.067 0.000 1.126 591 N HN 0.653 nan 8.380 nan 0.000 0.452 592 S N -0.182 115.515 115.700 -0.005 0.000 2.585 592 S HA 0.421 4.891 4.470 -0.000 0.000 0.273 592 S C 1.365 176.003 174.600 0.064 0.000 1.339 592 S CA 0.342 58.556 58.200 0.023 0.000 1.028 592 S CB 1.016 64.195 63.200 -0.035 0.000 0.906 592 S HN 0.845 nan 8.310 nan 0.000 0.528 593 G N 1.691 110.533 108.800 0.070 0.000 2.179 593 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.220 593 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.220 593 G C -0.180 174.749 174.900 0.049 0.000 0.990 593 G CA -0.536 44.592 45.100 0.047 0.000 0.646 593 G HN 0.589 nan 8.290 nan 0.000 0.517 594 N N 0.773 119.520 118.700 0.079 0.000 2.456 594 N HA 0.452 5.192 4.740 -0.000 0.000 0.296 594 N C -0.550 174.929 175.510 -0.051 0.000 1.102 594 N CA -0.311 52.748 53.050 0.015 0.000 0.924 594 N CB 1.231 39.716 38.487 -0.004 0.000 1.186 594 N HN 0.424 nan 8.380 nan 0.000 0.492 595 E N 0.581 120.719 120.200 -0.102 0.000 2.197 595 E HA 0.430 4.780 4.350 -0.000 0.000 0.281 595 E C -0.852 175.565 176.600 -0.305 0.000 0.995 595 E CA -0.644 55.623 56.400 -0.222 0.000 0.808 595 E CB 1.838 31.453 29.700 -0.141 0.000 1.093 595 E HN 0.139 nan 8.360 nan 0.000 0.394 596 V N 3.920 123.578 119.914 -0.428 0.000 2.483 596 V HA 0.305 4.425 4.120 -0.000 0.000 0.297 596 V C -1.319 174.553 176.094 -0.370 0.000 1.027 596 V CA -0.847 61.273 62.300 -0.302 0.000 0.855 596 V CB 0.638 32.295 31.823 -0.277 0.000 0.995 596 V HN 0.594 nan 8.190 nan 0.000 0.424 597 Y N 4.902 125.216 120.300 0.023 0.000 2.364 597 Y HA 0.750 5.300 4.550 -0.000 0.000 0.340 597 Y C -0.283 175.707 175.900 0.149 0.000 0.975 597 Y CA -0.890 57.244 58.100 0.057 0.000 1.089 597 Y CB 1.969 40.416 38.460 -0.022 0.000 1.192 597 Y HN 0.474 nan 8.280 nan 0.000 0.454 598 I N 2.364 123.117 120.570 0.306 0.000 2.447 598 I HA 0.242 4.412 4.170 -0.000 0.000 0.287 598 I C 0.315 176.573 176.117 0.235 0.000 1.023 598 I CA -0.365 61.086 61.300 0.251 0.000 1.083 598 I CB 1.690 39.752 38.000 0.104 0.000 1.245 598 I HN 0.608 nan 8.210 nan 0.000 0.434 599 D N 5.194 125.752 120.400 0.262 0.000 2.232 599 D HA 0.115 4.755 4.640 -0.000 0.000 0.220 599 D C 0.546 176.881 176.300 0.058 0.000 0.982 599 D CA 1.143 55.225 54.000 0.137 0.000 0.892 599 D CB 0.558 41.391 40.800 0.055 0.000 1.040 599 D HN 0.577 nan 8.370 nan 0.000 0.463 600 R N -0.584 119.947 120.500 0.052 0.000 2.766 600 R HA 0.539 4.879 4.340 -0.000 0.000 0.270 600 R C -0.901 175.392 176.300 -0.011 0.000 1.035 600 R CA -1.009 55.101 56.100 0.016 0.000 0.911 600 R CB 0.899 31.202 30.300 0.005 0.000 1.243 600 R HN 0.145 nan 8.270 nan 0.000 0.460 601 I N -1.988 118.561 120.570 -0.035 0.000 2.646 601 I HA 0.595 4.764 4.170 -0.000 0.000 0.299 601 I C -1.043 175.008 176.117 -0.110 0.000 1.036 601 I CA -1.025 60.205 61.300 -0.117 0.000 1.074 601 I CB 2.533 40.409 38.000 -0.207 0.000 1.258 601 I HN 0.650 nan 8.210 nan 0.000 0.430 602 E N 4.229 124.330 120.200 -0.165 0.000 2.222 602 E HA 0.450 4.800 4.350 -0.000 0.000 0.267 602 E C -1.798 174.677 176.600 -0.209 0.000 0.884 602 E CA -0.579 55.784 56.400 -0.062 0.000 0.764 602 E CB 2.613 32.346 29.700 0.054 0.000 1.169 602 E HN 0.463 nan 8.360 nan 0.000 0.413 603 F N 1.809 121.809 119.950 0.084 0.000 2.313 603 F HA 0.215 4.742 4.527 -0.000 0.000 0.369 603 F C -0.216 175.720 175.800 0.226 0.000 1.109 603 F CA -0.745 57.339 58.000 0.140 0.000 1.132 603 F CB 0.992 39.991 39.000 -0.002 0.000 1.291 603 F HN 0.147 nan 8.300 nan 0.000 0.496 604 V N 5.427 125.522 119.914 0.302 0.000 2.370 604 V HA 0.334 4.454 4.120 -0.000 0.000 0.279 604 V C -2.155 174.062 176.094 0.206 0.000 1.029 604 V CA -2.365 60.068 62.300 0.223 0.000 0.870 604 V CB 1.265 33.145 31.823 0.097 0.000 0.984 604 V HN 0.431 nan 8.190 nan 0.000 0.451 605 P HA 0.081 nan 4.420 nan 0.000 0.266 605 P C 0.654 177.887 177.300 -0.111 0.000 1.195 605 P CA 0.164 63.189 63.100 -0.125 0.000 0.768 605 P CB 0.841 32.493 31.700 -0.080 0.000 0.838 606 A N 3.703 126.411 122.820 -0.188 0.000 2.019 606 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 606 A C 1.569 179.106 177.584 -0.078 0.000 1.164 606 A CA 1.570 53.536 52.037 -0.117 0.000 0.644 606 A CB -0.928 17.990 19.000 -0.136 0.000 0.805 606 A HN 0.565 nan 8.150 nan 0.000 0.449 607 E N -0.291 119.859 120.200 -0.082 0.000 2.409 607 E HA 0.027 4.377 4.350 -0.000 0.000 0.198 607 E C 0.141 176.718 176.600 -0.037 0.000 1.024 607 E CA 0.399 56.767 56.400 -0.053 0.000 0.861 607 E CB -0.326 29.344 29.700 -0.049 0.000 0.788 607 E HN 0.301 nan 8.360 nan 0.000 0.521 608 V N 2.658 122.552 119.914 -0.034 0.000 2.356 608 V HA 0.148 4.268 4.120 -0.000 0.000 0.258 608 V C 0.351 176.426 176.094 -0.031 0.000 1.065 608 V CA -0.070 62.215 62.300 -0.025 0.000 0.935 608 V CB 0.061 31.878 31.823 -0.010 0.000 1.061 608 V HN 0.243 nan 8.190 nan 0.000 0.484 609 T N 0.000 114.533 114.554 -0.035 0.000 3.816 609 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 609 T CA 0.000 62.077 62.100 -0.039 0.000 1.349 609 T CB 0.000 68.847 68.868 -0.034 0.000 0.612 609 T HN 0.000 nan 8.240 nan 0.000 0.658