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 3ei7_1_B DATA FIRST_RESID 19 DATA SEQUENCE EYKTKVSRNS NMSKLQAGYL FPEIARRRSA HLLKYPDAQV ISLGIGDTTE DATA SEQUENCE PIPEVITSAM AKKAHELSTI EGYSGYGAEQ GAKPLRAAIA KTFYGGLGIG DATA SEQUENCE DDDVFVSDGA KCDISRLQVM FGSNVTIAVQ DPSYPAYVDS SVIMGQTGQF DATA SEQUENCE NTDVQKYGNI EYMRCTPENG FFPDLSTVGR TDIIFFCSPN NPTGAAATRE DATA SEQUENCE QLTQLVEFAK KNGSIIVYDS AYAMYMSDDN PRSIFEIPGA EEVAMETASF DATA SEQUENCE SKYAGFTGVR LGWTVIPKKL LYSDGFPVAK DFNRIICTCF NGASNISQAG DATA SEQUENCE ALACLTPEGL EAMHKVIGFY KENTNIIIDT FTSLGYDVYG GKNAPYVWVH DATA SEQUENCE FPNQSSWDVF AEILEKTHVV TTPGSGFGPG GEGFVRVSAF GHRENILEAC DATA SEQUENCE RRFKQLYKH 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 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.644 176.600 0.074 0.000 1.382 19 E CA 0.000 56.436 56.400 0.060 0.000 0.976 19 E CB 0.000 29.726 29.700 0.044 0.000 0.812 20 Y N 2.267 122.567 120.300 -0.001 0.000 2.411 20 Y HA 0.368 4.918 4.550 -0.001 0.000 0.333 20 Y C -0.547 175.352 175.900 -0.001 0.000 1.186 20 Y CA 0.651 58.750 58.100 -0.001 0.000 1.381 20 Y CB 0.883 39.343 38.460 -0.000 0.000 1.273 20 Y HN 0.466 nan 8.280 nan 0.000 0.546 21 K N 3.244 123.129 120.400 -0.859 0.000 2.426 21 K HA 0.321 4.640 4.320 -0.001 0.000 0.251 21 K C -0.456 175.672 176.600 -0.786 0.000 0.941 21 K CA -0.918 55.055 56.287 -0.525 0.000 0.808 21 K CB 1.823 34.150 32.500 -0.288 0.000 1.265 21 K HN 0.765 nan 8.250 nan 0.000 0.432 22 T N -1.382 113.006 114.554 -0.276 0.000 2.732 22 T HA 0.183 4.532 4.350 -0.001 0.000 0.287 22 T C 0.637 175.260 174.700 -0.127 0.000 0.993 22 T CA -0.357 61.677 62.100 -0.110 0.000 0.966 22 T CB 0.562 69.456 68.868 0.043 0.000 1.047 22 T HN 0.498 nan 8.240 nan 0.000 0.527 23 K N 0.096 120.464 120.400 -0.053 0.000 2.446 23 K HA 0.301 4.621 4.320 -0.001 0.000 0.203 23 K C -0.398 176.189 176.600 -0.021 0.000 1.027 23 K CA -0.228 56.033 56.287 -0.043 0.000 1.166 23 K CB 0.353 32.839 32.500 -0.022 0.000 0.869 23 K HN 0.325 nan 8.250 nan 0.000 0.504 24 V N 2.052 121.958 119.914 -0.014 0.000 2.455 24 V HA 0.042 4.161 4.120 -0.001 0.000 0.273 24 V C 0.301 176.388 176.094 -0.011 0.000 1.045 24 V CA -0.339 61.959 62.300 -0.004 0.000 0.976 24 V CB 1.282 33.109 31.823 0.006 0.000 0.993 24 V HN 0.164 nan 8.190 nan 0.000 0.475 25 S N 5.431 121.126 115.700 -0.009 0.000 2.510 25 S HA 0.217 4.686 4.470 -0.001 0.000 0.279 25 S C 0.492 175.088 174.600 -0.007 0.000 1.284 25 S CA -0.317 57.877 58.200 -0.010 0.000 1.059 25 S CB 0.091 63.287 63.200 -0.007 0.000 0.901 25 S HN 0.721 nan 8.310 nan 0.000 0.491 26 R N 2.762 123.257 120.500 -0.009 0.000 2.619 26 R HA -0.083 4.256 4.340 -0.001 0.000 0.268 26 R C 0.302 176.599 176.300 -0.005 0.000 0.990 26 R CA -0.104 55.992 56.100 -0.007 0.000 1.092 26 R CB 0.216 30.511 30.300 -0.009 0.000 0.935 26 R HN 0.547 nan 8.270 nan 0.000 0.415 27 N N 1.878 120.575 118.700 -0.005 0.000 2.414 27 N HA -0.092 4.648 4.740 -0.001 0.000 0.268 27 N C 0.578 176.086 175.510 -0.003 0.000 1.286 27 N CA 0.703 53.751 53.050 -0.004 0.000 0.896 27 N CB 0.847 39.330 38.487 -0.007 0.000 1.093 27 N HN 0.634 nan 8.380 nan 0.000 0.480 28 S N 3.173 118.874 115.700 0.001 0.000 2.442 28 S HA -0.100 4.369 4.470 -0.001 0.000 0.236 28 S C 1.275 175.881 174.600 0.009 0.000 1.007 28 S CA 0.493 58.697 58.200 0.007 0.000 0.965 28 S CB -0.060 63.147 63.200 0.011 0.000 0.773 28 S HN 0.570 nan 8.310 nan 0.000 0.504 29 N N 1.579 120.279 118.700 -0.000 0.000 2.244 29 N HA 0.063 4.803 4.740 -0.001 0.000 0.183 29 N C 1.567 177.063 175.510 -0.024 0.000 1.016 29 N CA 1.211 54.254 53.050 -0.011 0.000 0.866 29 N CB -0.375 38.100 38.487 -0.020 0.000 0.980 29 N HN 0.389 nan 8.380 nan 0.000 0.430 30 M N 0.599 120.185 119.600 -0.023 0.000 2.200 30 M HA 0.041 4.520 4.480 -0.001 0.000 0.265 30 M C 1.987 178.276 176.300 -0.019 0.000 1.066 30 M CA 0.826 56.107 55.300 -0.032 0.000 1.127 30 M CB -1.164 31.419 32.600 -0.028 0.000 1.379 30 M HN -0.038 nan 8.290 nan 0.000 0.420 31 S N 0.720 116.417 115.700 -0.004 0.000 2.400 31 S HA -0.134 4.335 4.470 -0.001 0.000 0.232 31 S C 1.891 176.508 174.600 0.029 0.000 1.025 31 S CA 1.167 59.371 58.200 0.007 0.000 0.993 31 S CB -0.250 62.956 63.200 0.011 0.000 0.808 31 S HN 0.463 nan 8.310 nan 0.000 0.478 32 K N 0.664 121.094 120.400 0.049 0.000 2.097 32 K HA 0.002 4.321 4.320 -0.001 0.000 0.206 32 K C 0.330 177.043 176.600 0.188 0.000 1.049 32 K CA 0.513 56.873 56.287 0.123 0.000 0.933 32 K CB -0.391 32.184 32.500 0.126 0.000 0.717 32 K HN 0.326 nan 8.250 nan 0.000 0.442 33 L N 2.475 123.753 121.223 0.092 0.000 2.525 33 L HA -0.076 4.263 4.340 -0.001 0.000 0.278 33 L C 0.786 177.662 176.870 0.010 0.000 1.218 33 L CA -0.061 54.828 54.840 0.081 0.000 0.878 33 L CB 0.155 42.175 42.059 -0.066 0.000 1.127 33 L HN 0.197 nan 8.230 nan 0.000 0.492 34 Q N 1.806 121.556 119.800 -0.084 0.000 2.394 34 Q HA 0.337 4.676 4.340 -0.001 0.000 0.248 34 Q C 0.014 175.906 176.000 -0.180 0.000 0.992 34 Q CA -0.247 55.383 55.803 -0.289 0.000 0.888 34 Q CB 1.391 29.696 28.738 -0.721 0.000 1.257 34 Q HN 0.718 nan 8.270 nan 0.000 0.462 35 A N 0.272 122.988 122.820 -0.173 0.000 2.445 35 A HA 0.468 4.787 4.320 -0.001 0.000 0.242 35 A C 0.842 178.332 177.584 -0.157 0.000 1.075 35 A CA 0.606 52.564 52.037 -0.133 0.000 0.777 35 A CB -0.173 18.752 19.000 -0.125 0.000 1.013 35 A HN 0.976 nan 8.150 nan 0.000 0.493 36 G N -0.393 108.332 108.800 -0.124 0.000 2.248 36 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.263 36 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.263 36 G C -0.125 174.727 174.900 -0.080 0.000 1.082 36 G CA 0.234 45.233 45.100 -0.168 0.000 0.863 36 G HN 1.506 nan 8.290 nan 0.000 0.495 37 Y N 0.092 120.294 120.300 -0.164 0.000 2.597 37 Y HA 0.335 4.884 4.550 -0.001 0.000 0.336 37 Y C 1.645 177.409 175.900 -0.225 0.000 1.216 37 Y CA -0.244 57.747 58.100 -0.180 0.000 1.463 37 Y CB 0.517 38.901 38.460 -0.126 0.000 1.303 37 Y HN 0.252 nan 8.280 nan 0.000 0.576 38 L N 5.163 125.836 121.223 -0.917 0.000 1.965 38 L HA -0.332 4.008 4.340 -0.001 0.000 0.226 38 L C 1.882 178.301 176.870 -0.751 0.000 1.083 38 L CA 2.172 56.435 54.840 -0.962 0.000 0.790 38 L CB -1.273 39.821 42.059 -1.609 0.000 0.898 38 L HN 0.781 nan 8.230 nan 0.000 0.439 39 F N 0.088 119.710 119.950 -0.547 0.000 2.046 39 F HA -0.109 4.418 4.527 -0.001 0.000 0.297 39 F C -0.010 175.720 175.800 -0.116 0.000 1.123 39 F CA 1.514 59.352 58.000 -0.271 0.000 1.199 39 F CB -2.974 35.881 39.000 -0.241 0.000 0.972 39 F HN 0.209 nan 8.300 nan 0.000 0.474 40 P HA -0.218 nan 4.420 nan 0.000 0.215 40 P C 1.470 178.781 177.300 0.019 0.000 1.157 40 P CA 1.911 65.057 63.100 0.076 0.000 0.874 40 P CB -0.018 31.739 31.700 0.095 0.000 0.790 41 E N -0.030 120.147 120.200 -0.039 0.000 2.058 41 E HA -0.164 4.185 4.350 -0.001 0.000 0.194 41 E C 2.096 178.702 176.600 0.010 0.000 0.997 41 E CA 1.127 57.482 56.400 -0.074 0.000 0.801 41 E CB -1.001 28.598 29.700 -0.168 0.000 0.746 41 E HN 0.059 nan 8.360 nan 0.000 0.450 42 I N 0.650 121.247 120.570 0.045 0.000 2.226 42 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 42 I C 2.323 178.522 176.117 0.137 0.000 1.100 42 I CA 1.362 62.712 61.300 0.083 0.000 1.374 42 I CB -1.651 36.365 38.000 0.025 0.000 1.057 42 I HN 0.167 nan 8.210 nan 0.000 0.413 43 A N 0.968 123.849 122.820 0.101 0.000 1.865 43 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 43 A C 2.513 180.154 177.584 0.095 0.000 1.191 43 A CA 1.726 53.825 52.037 0.102 0.000 0.623 43 A CB -0.691 18.362 19.000 0.087 0.000 0.826 43 A HN 0.312 nan 8.150 nan 0.000 0.444 44 R N -0.948 119.592 120.500 0.066 0.000 2.094 44 R HA -0.152 4.187 4.340 -0.001 0.000 0.239 44 R C 2.549 178.904 176.300 0.091 0.000 1.137 44 R CA 1.971 58.102 56.100 0.052 0.000 0.943 44 R CB -0.313 29.990 30.300 0.006 0.000 0.850 44 R HN 0.508 nan 8.270 nan 0.000 0.433 45 R N -0.226 120.354 120.500 0.133 0.000 2.092 45 R HA -0.091 4.248 4.340 -0.001 0.000 0.231 45 R C 2.426 178.874 176.300 0.246 0.000 1.119 45 R CA 1.170 57.400 56.100 0.218 0.000 0.970 45 R CB -0.231 30.292 30.300 0.370 0.000 0.864 45 R HN 0.176 nan 8.270 nan 0.000 0.440 46 R N 0.353 120.997 120.500 0.240 0.000 2.073 46 R HA -0.089 4.250 4.340 -0.001 0.000 0.234 46 R C 2.035 178.452 176.300 0.195 0.000 1.134 46 R CA 1.860 58.092 56.100 0.220 0.000 0.952 46 R CB -0.052 30.364 30.300 0.194 0.000 0.850 46 R HN 0.116 nan 8.270 nan 0.000 0.433 47 S N 0.665 116.451 115.700 0.144 0.000 2.348 47 S HA -0.152 4.317 4.470 -0.001 0.000 0.221 47 S C 2.049 176.705 174.600 0.093 0.000 1.033 47 S CA 1.276 59.539 58.200 0.105 0.000 1.010 47 S CB -0.335 62.910 63.200 0.075 0.000 0.891 47 S HN 0.563 nan 8.310 nan 0.000 0.442 48 A N 1.020 123.894 122.820 0.090 0.000 1.978 48 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 48 A C 1.882 179.497 177.584 0.051 0.000 1.170 48 A CA 2.227 54.297 52.037 0.055 0.000 0.636 48 A CB -0.943 18.090 19.000 0.055 0.000 0.810 48 A HN 0.655 nan 8.150 nan 0.000 0.448 49 H N -0.425 118.671 119.070 0.043 0.000 2.357 49 H HA 0.061 4.616 4.556 -0.001 0.000 0.301 49 H C 1.712 177.077 175.328 0.061 0.000 1.082 49 H CA 1.809 57.891 56.048 0.058 0.000 1.342 49 H CB -0.181 29.664 29.762 0.138 0.000 1.389 49 H HN 0.376 nan 8.280 nan 0.000 0.511 50 L N -0.211 121.086 121.223 0.123 0.000 2.201 50 L HA -0.122 4.217 4.340 -0.001 0.000 0.212 50 L C 2.306 179.168 176.870 -0.012 0.000 1.105 50 L CA 0.498 55.379 54.840 0.068 0.000 0.775 50 L CB -0.234 41.892 42.059 0.110 0.000 0.913 50 L HN 0.347 nan 8.230 nan 0.000 0.440 51 L N -0.208 120.995 121.223 -0.034 0.000 2.017 51 L HA -0.250 4.089 4.340 -0.001 0.000 0.208 51 L C 2.677 179.461 176.870 -0.143 0.000 1.073 51 L CA 1.487 56.289 54.840 -0.063 0.000 0.745 51 L CB -0.436 41.593 42.059 -0.051 0.000 0.894 51 L HN 0.262 nan 8.230 nan 0.000 0.432 52 K N -0.388 119.847 120.400 -0.276 0.000 2.057 52 K HA -0.161 4.158 4.320 -0.001 0.000 0.207 52 K C -0.225 176.036 176.600 -0.565 0.000 1.049 52 K CA 1.298 57.263 56.287 -0.536 0.000 0.931 52 K CB 0.163 32.154 32.500 -0.850 0.000 0.714 52 K HN 0.141 nan 8.250 nan 0.000 0.440 53 Y N 0.033 120.224 120.300 -0.182 0.000 2.662 53 Y HA 0.260 4.809 4.550 -0.001 0.000 0.358 53 Y C -2.069 173.765 175.900 -0.110 0.000 1.041 53 Y CA -2.930 55.073 58.100 -0.162 0.000 1.184 53 Y CB 1.174 39.496 38.460 -0.230 0.000 1.114 53 Y HN 0.097 nan 8.280 nan 0.000 0.650 54 P HA -0.179 nan 4.420 nan 0.000 0.218 54 P C 0.408 177.725 177.300 0.029 0.000 1.146 54 P CA 1.686 64.805 63.100 0.033 0.000 0.813 54 P CB 0.605 32.317 31.700 0.020 0.000 0.778 55 D N -0.872 119.539 120.400 0.018 0.000 2.349 55 D HA 0.172 4.812 4.640 -0.001 0.000 0.214 55 D C 0.721 176.980 176.300 -0.070 0.000 1.063 55 D CA -0.041 53.949 54.000 -0.016 0.000 0.847 55 D CB 0.140 40.929 40.800 -0.019 0.000 0.933 55 D HN 0.083 nan 8.370 nan 0.000 0.513 56 A N 1.328 124.089 122.820 -0.099 0.000 2.546 56 A HA -0.004 4.315 4.320 -0.001 0.000 0.243 56 A C 0.765 178.269 177.584 -0.132 0.000 1.063 56 A CA 0.049 51.918 52.037 -0.280 0.000 0.757 56 A CB 0.264 19.097 19.000 -0.279 0.000 0.991 56 A HN -0.042 nan 8.150 nan 0.000 0.503 57 Q N 2.428 122.133 119.800 -0.158 0.000 2.641 57 Q HA 0.149 4.488 4.340 -0.001 0.000 0.225 57 Q C -0.318 175.695 176.000 0.021 0.000 1.309 57 Q CA 0.044 55.822 55.803 -0.042 0.000 0.935 57 Q CB -0.111 28.605 28.738 -0.037 0.000 1.557 57 Q HN 0.486 nan 8.270 nan 0.000 0.563 58 V N 3.814 123.769 119.914 0.069 0.000 2.572 58 V HA 0.161 4.280 4.120 -0.001 0.000 0.291 58 V C 0.645 176.786 176.094 0.080 0.000 1.039 58 V CA 0.025 62.392 62.300 0.112 0.000 1.055 58 V CB 0.547 32.454 31.823 0.141 0.000 0.969 58 V HN 0.489 nan 8.190 nan 0.000 0.482 59 I N 3.955 124.565 120.570 0.065 0.000 2.362 59 I HA 0.297 4.466 4.170 -0.001 0.000 0.289 59 I C 0.268 176.427 176.117 0.071 0.000 0.994 59 I CA 0.031 61.363 61.300 0.053 0.000 1.158 59 I CB 1.779 39.789 38.000 0.017 0.000 1.315 59 I HN 0.570 nan 8.210 nan 0.000 0.451 60 S N 7.118 122.870 115.700 0.086 0.000 2.410 60 S HA 0.510 4.980 4.470 -0.001 0.000 0.304 60 S C 0.113 174.792 174.600 0.133 0.000 1.095 60 S CA -0.528 57.740 58.200 0.112 0.000 1.089 60 S CB 0.242 63.513 63.200 0.117 0.000 0.968 60 S HN 0.549 nan 8.310 nan 0.000 0.480 61 L N 5.025 126.341 121.223 0.156 0.000 3.154 61 L HA 0.404 4.744 4.340 -0.001 0.000 0.266 61 L C 1.276 178.250 176.870 0.174 0.000 1.300 61 L CA -0.564 54.380 54.840 0.173 0.000 1.028 61 L CB -0.076 42.109 42.059 0.210 0.000 1.412 61 L HN 0.760 nan 8.230 nan 0.000 0.564 62 G N 0.284 109.191 108.800 0.178 0.000 3.137 62 G HA2 0.194 4.154 3.960 -0.001 0.000 0.163 62 G HA3 0.194 4.154 3.960 -0.001 0.000 0.163 62 G C 0.354 175.363 174.900 0.181 0.000 1.602 62 G CA -0.672 44.534 45.100 0.178 0.000 1.067 62 G HN 0.127 nan 8.290 nan 0.000 0.568 63 I N 2.240 122.923 120.570 0.189 0.000 3.252 63 I HA -0.009 4.161 4.170 -0.001 0.000 0.331 63 I C 1.141 177.401 176.117 0.239 0.000 1.237 63 I CA 0.290 61.725 61.300 0.225 0.000 1.436 63 I CB -0.357 37.764 38.000 0.203 0.000 1.338 63 I HN 0.410 nan 8.210 nan 0.000 0.512 64 G N 6.485 115.456 108.800 0.285 0.000 2.279 64 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.285 64 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.285 64 G C -0.247 174.805 174.900 0.253 0.000 0.910 64 G CA 0.399 45.752 45.100 0.422 0.000 1.477 64 G HN 0.967 nan 8.290 nan 0.000 0.385 65 D N 1.430 121.935 120.400 0.176 0.000 2.616 65 D HA 0.355 4.994 4.640 -0.001 0.000 0.238 65 D C 0.387 176.558 176.300 -0.215 0.000 1.354 65 D CA -0.570 53.399 54.000 -0.051 0.000 0.970 65 D CB 0.822 41.641 40.800 0.031 0.000 1.369 65 D HN 0.286 nan 8.370 nan 0.000 0.585 66 T N 0.377 114.637 114.554 -0.490 0.000 2.918 66 T HA 0.369 4.719 4.350 -0.001 0.000 0.302 66 T C 1.230 175.901 174.700 -0.047 0.000 1.045 66 T CA 0.302 62.088 62.100 -0.523 0.000 1.114 66 T CB 1.405 69.966 68.868 -0.512 0.000 0.965 66 T HN 0.505 nan 8.240 nan 0.000 0.540 67 T N -1.868 112.771 114.554 0.142 0.000 2.971 67 T HA 0.228 4.577 4.350 -0.001 0.000 0.252 67 T C 0.298 175.153 174.700 0.257 0.000 1.022 67 T CA -0.373 61.825 62.100 0.164 0.000 0.980 67 T CB 0.201 69.123 68.868 0.090 0.000 1.044 67 T HN 0.555 nan 8.240 nan 0.000 0.501 68 E N 2.804 123.197 120.200 0.322 0.000 2.319 68 E HA 0.465 4.815 4.350 -0.001 0.000 0.268 68 E C -2.541 174.137 176.600 0.129 0.000 1.050 68 E CA -2.811 53.708 56.400 0.197 0.000 0.878 68 E CB 0.313 30.029 29.700 0.027 0.000 1.066 68 E HN 0.207 nan 8.360 nan 0.000 0.406 69 P HA 0.025 nan 4.420 nan 0.000 0.265 69 P C -0.043 177.227 177.300 -0.051 0.000 1.187 69 P CA 0.266 63.368 63.100 0.004 0.000 0.766 69 P CB 0.271 31.951 31.700 -0.032 0.000 0.820 70 I N 4.718 125.231 120.570 -0.095 0.000 2.710 70 I HA 0.009 4.179 4.170 -0.001 0.000 0.286 70 I C -1.685 174.233 176.117 -0.333 0.000 1.181 70 I CA -1.553 59.554 61.300 -0.322 0.000 1.430 70 I CB -0.301 37.526 38.000 -0.288 0.000 1.367 70 I HN 0.229 nan 8.210 nan 0.000 0.577 71 P HA -0.021 nan 4.420 nan 0.000 0.265 71 P C 0.472 177.655 177.300 -0.195 0.000 1.187 71 P CA 0.015 62.958 63.100 -0.261 0.000 0.766 71 P CB 0.497 32.056 31.700 -0.235 0.000 0.820 72 E N 1.193 121.325 120.200 -0.112 0.000 2.160 72 E HA -0.159 4.190 4.350 -0.001 0.000 0.195 72 E C 1.715 178.281 176.600 -0.056 0.000 0.991 72 E CA 1.032 57.388 56.400 -0.074 0.000 0.810 72 E CB -0.205 29.467 29.700 -0.047 0.000 0.742 72 E HN 0.245 nan 8.360 nan 0.000 0.466 73 V N 1.299 121.184 119.914 -0.048 0.000 2.392 73 V HA -0.258 3.862 4.120 -0.001 0.000 0.249 73 V C 1.941 178.024 176.094 -0.018 0.000 1.059 73 V CA 1.617 63.906 62.300 -0.018 0.000 1.051 73 V CB -0.211 31.616 31.823 0.007 0.000 0.658 73 V HN 0.199 nan 8.190 nan 0.000 0.455 74 I N 0.601 121.138 120.570 -0.055 0.000 2.277 74 I HA -0.133 4.036 4.170 -0.001 0.000 0.243 74 I C 2.698 178.789 176.117 -0.043 0.000 1.094 74 I CA 1.727 63.003 61.300 -0.040 0.000 1.393 74 I CB -0.873 37.067 38.000 -0.100 0.000 1.078 74 I HN 0.487 nan 8.210 nan 0.000 0.417 75 T N -2.063 112.448 114.554 -0.072 0.000 2.821 75 T HA -0.080 4.270 4.350 -0.001 0.000 0.267 75 T C 2.010 176.693 174.700 -0.029 0.000 1.046 75 T CA 1.376 63.446 62.100 -0.050 0.000 1.139 75 T CB -0.489 68.344 68.868 -0.059 0.000 0.871 75 T HN 0.157 nan 8.240 nan 0.000 0.454 76 S N 2.029 117.716 115.700 -0.021 0.000 2.370 76 S HA 0.006 4.476 4.470 -0.001 0.000 0.226 76 S C 2.606 177.209 174.600 0.006 0.000 1.033 76 S CA 1.152 59.352 58.200 -0.001 0.000 1.011 76 S CB -0.862 62.340 63.200 0.003 0.000 0.852 76 S HN 0.789 nan 8.310 nan 0.000 0.457 77 A N 1.254 124.075 122.820 0.002 0.000 1.930 77 A HA -0.011 4.308 4.320 -0.001 0.000 0.217 77 A C 2.141 179.723 177.584 -0.004 0.000 1.175 77 A CA 1.303 53.344 52.037 0.006 0.000 0.627 77 A CB -0.543 18.462 19.000 0.010 0.000 0.815 77 A HN 0.466 nan 8.150 nan 0.000 0.443 78 M N -0.655 118.937 119.600 -0.014 0.000 2.099 78 M HA -0.122 4.358 4.480 -0.001 0.000 0.262 78 M C 2.567 178.837 176.300 -0.052 0.000 1.067 78 M CA 1.436 56.719 55.300 -0.027 0.000 1.124 78 M CB -0.425 32.160 32.600 -0.024 0.000 1.353 78 M HN 0.475 nan 8.290 nan 0.000 0.410 79 A N 0.373 123.158 122.820 -0.059 0.000 1.933 79 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 79 A C 2.133 179.648 177.584 -0.115 0.000 1.175 79 A CA 1.930 53.890 52.037 -0.129 0.000 0.628 79 A CB -0.633 18.324 19.000 -0.072 0.000 0.814 79 A HN 0.453 nan 8.150 nan 0.000 0.444 80 K N -0.383 120.027 120.400 0.016 0.000 2.057 80 K HA -0.221 4.099 4.320 -0.001 0.000 0.207 80 K C 2.141 178.772 176.600 0.052 0.000 1.049 80 K CA 1.809 58.147 56.287 0.086 0.000 0.931 80 K CB -0.118 32.422 32.500 0.066 0.000 0.714 80 K HN 0.227 nan 8.250 nan 0.000 0.440 81 K N 0.945 121.350 120.400 0.009 0.000 2.026 81 K HA -0.057 4.262 4.320 -0.001 0.000 0.208 81 K C 1.774 178.372 176.600 -0.003 0.000 1.048 81 K CA 1.690 57.980 56.287 0.005 0.000 0.929 81 K CB -0.709 31.785 32.500 -0.010 0.000 0.713 81 K HN 0.249 nan 8.250 nan 0.000 0.439 82 A N 0.946 123.729 122.820 -0.061 0.000 1.884 82 A HA -0.253 4.066 4.320 -0.001 0.000 0.219 82 A C 2.110 179.657 177.584 -0.061 0.000 1.197 82 A CA 2.092 54.072 52.037 -0.096 0.000 0.637 82 A CB -1.126 17.758 19.000 -0.193 0.000 0.827 82 A HN 0.532 nan 8.150 nan 0.000 0.450 83 H N -0.104 118.981 119.070 0.026 0.000 2.319 83 H HA -0.133 4.422 4.556 -0.001 0.000 0.299 83 H C 2.060 177.411 175.328 0.038 0.000 1.092 83 H CA 1.808 57.873 56.048 0.027 0.000 1.302 83 H CB -0.514 29.259 29.762 0.018 0.000 1.373 83 H HN 0.716 nan 8.280 nan 0.000 0.497 84 E N 0.640 120.934 120.200 0.157 0.000 2.160 84 E HA -0.116 4.233 4.350 -0.001 0.000 0.195 84 E C 2.246 178.925 176.600 0.132 0.000 0.991 84 E CA 0.480 56.949 56.400 0.115 0.000 0.810 84 E CB -0.152 29.596 29.700 0.079 0.000 0.742 84 E HN 0.384 nan 8.360 nan 0.000 0.466 85 L N 0.664 121.970 121.223 0.137 0.000 2.450 85 L HA -0.092 4.247 4.340 -0.001 0.000 0.224 85 L C 1.899 178.907 176.870 0.230 0.000 1.149 85 L CA 0.429 55.412 54.840 0.238 0.000 0.816 85 L CB -0.075 42.105 42.059 0.202 0.000 0.932 85 L HN -0.012 nan 8.230 nan 0.000 0.449 86 S N -1.236 114.546 115.700 0.135 0.000 2.575 86 S HA 0.031 4.500 4.470 -0.001 0.000 0.215 86 S C 0.831 175.465 174.600 0.057 0.000 0.966 86 S CA 0.118 58.362 58.200 0.074 0.000 0.911 86 S CB -0.055 63.189 63.200 0.074 0.000 0.780 86 S HN 0.558 nan 8.310 nan 0.000 0.514 87 T N -1.092 113.517 114.554 0.091 0.000 2.918 87 T HA 0.516 4.865 4.350 -0.001 0.000 0.286 87 T C 1.245 176.001 174.700 0.094 0.000 1.026 87 T CA -0.797 61.346 62.100 0.071 0.000 1.031 87 T CB 0.823 69.732 68.868 0.068 0.000 1.046 87 T HN -0.151 nan 8.240 nan 0.000 0.479 88 I N 1.600 122.208 120.570 0.063 0.000 2.179 88 I HA -0.127 4.043 4.170 -0.001 0.000 0.242 88 I C 2.826 179.001 176.117 0.097 0.000 1.088 88 I CA 1.701 63.046 61.300 0.074 0.000 1.357 88 I CB -0.978 37.046 38.000 0.040 0.000 1.051 88 I HN 0.909 nan 8.210 nan 0.000 0.409 89 E N 1.069 121.311 120.200 0.069 0.000 2.153 89 E HA -0.159 4.191 4.350 -0.001 0.000 0.194 89 E C 1.969 178.607 176.600 0.063 0.000 0.988 89 E CA 1.646 58.080 56.400 0.057 0.000 0.811 89 E CB -0.611 29.112 29.700 0.038 0.000 0.746 89 E HN 0.451 nan 8.360 nan 0.000 0.466 90 G N -0.058 108.792 108.800 0.083 0.000 2.986 90 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.213 90 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.213 90 G C -0.026 174.928 174.900 0.090 0.000 1.156 90 G CA -0.363 44.782 45.100 0.074 0.000 0.763 90 G HN 0.278 nan 8.290 nan 0.000 0.547 91 Y N 3.616 123.928 120.300 0.021 0.000 2.531 91 Y HA 0.438 4.988 4.550 0.000 0.000 0.347 91 Y C 0.431 176.346 175.900 0.026 0.000 1.024 91 Y CA -1.194 56.920 58.100 0.023 0.000 1.306 91 Y CB 0.377 38.851 38.460 0.023 0.000 1.149 91 Y HN 0.106 nan 8.280 nan 0.000 0.527 92 S N 2.601 117.863 115.700 -0.731 0.000 2.677 92 S HA 0.901 5.371 4.470 -0.001 0.000 0.304 92 S C 0.274 174.318 174.600 -0.926 0.000 1.108 92 S CA -0.311 57.460 58.200 -0.714 0.000 0.944 92 S CB 1.917 64.947 63.200 -0.282 0.000 1.127 92 S HN 0.808 nan 8.310 nan 0.000 0.511 93 G N -0.761 107.761 108.800 -0.462 0.000 2.917 93 G HA2 0.222 4.181 3.960 -0.001 0.000 0.202 93 G HA3 0.222 4.181 3.960 -0.001 0.000 0.202 93 G C -0.953 173.922 174.900 -0.042 0.000 1.302 93 G CA -0.288 44.695 45.100 -0.195 0.000 0.685 93 G HN 0.562 nan 8.290 nan 0.000 0.914 94 Y N 2.515 122.754 120.300 -0.101 0.000 2.465 94 Y HA 0.467 5.017 4.550 -0.001 0.000 0.331 94 Y C 1.284 177.142 175.900 -0.070 0.000 1.102 94 Y CA 0.124 58.181 58.100 -0.071 0.000 1.358 94 Y CB 0.976 39.408 38.460 -0.046 0.000 1.213 94 Y HN 0.240 nan 8.280 nan 0.000 0.525 95 G N 1.984 110.797 108.800 0.023 0.000 2.539 95 G HA2 0.436 4.395 3.960 -0.001 0.000 0.258 95 G HA3 0.436 4.395 3.960 -0.001 0.000 0.258 95 G C -0.514 174.432 174.900 0.077 0.000 1.202 95 G CA -0.479 44.640 45.100 0.031 0.000 0.851 95 G HN 0.919 nan 8.290 nan 0.000 0.556 96 A N 0.765 123.626 122.820 0.067 0.000 2.548 96 A HA 0.216 4.536 4.320 -0.001 0.000 0.247 96 A C 1.305 178.959 177.584 0.115 0.000 1.067 96 A CA 0.209 52.292 52.037 0.077 0.000 0.757 96 A CB 0.088 19.119 19.000 0.052 0.000 0.996 96 A HN 0.812 nan 8.150 nan 0.000 0.504 97 E N 1.434 121.713 120.200 0.131 0.000 2.118 97 E HA -0.248 4.102 4.350 -0.001 0.000 0.195 97 E C 1.672 178.410 176.600 0.231 0.000 0.992 97 E CA 1.555 58.068 56.400 0.187 0.000 0.804 97 E CB 0.082 29.877 29.700 0.159 0.000 0.741 97 E HN 0.929 nan 8.360 nan 0.000 0.458 98 Q N 0.382 120.291 119.800 0.182 0.000 2.403 98 Q HA 0.100 4.439 4.340 -0.001 0.000 0.203 98 Q C -0.043 176.046 176.000 0.149 0.000 0.932 98 Q CA 0.446 56.371 55.803 0.203 0.000 0.945 98 Q CB 0.380 29.210 28.738 0.153 0.000 1.045 98 Q HN 0.185 nan 8.270 nan 0.000 0.511 99 G N 0.060 108.944 108.800 0.141 0.000 2.697 99 G HA2 0.004 3.964 3.960 -0.001 0.000 0.686 99 G HA3 0.004 3.964 3.960 -0.001 0.000 0.686 99 G C -0.590 174.344 174.900 0.056 0.000 1.179 99 G CA -0.570 44.597 45.100 0.112 0.000 0.765 99 G HN 0.460 nan 8.290 nan 0.000 0.649 100 A N 1.991 124.837 122.820 0.043 0.000 2.531 100 A HA 0.529 4.849 4.320 -0.001 0.000 0.236 100 A C 1.671 179.255 177.584 -0.000 0.000 1.062 100 A CA 1.207 53.254 52.037 0.017 0.000 0.760 100 A CB 0.521 19.526 19.000 0.008 0.000 0.995 100 A HN 1.057 nan 8.150 nan 0.000 0.501 101 K N 2.064 122.457 120.400 -0.012 0.000 2.074 101 K HA -0.143 4.176 4.320 -0.001 0.000 0.209 101 K C -0.812 175.771 176.600 -0.028 0.000 1.048 101 K CA 2.184 58.454 56.287 -0.027 0.000 0.926 101 K CB -0.983 31.501 32.500 -0.028 0.000 0.713 101 K HN 0.625 nan 8.250 nan 0.000 0.444 102 P HA -0.161 nan 4.420 nan 0.000 0.217 102 P C 1.621 178.910 177.300 -0.019 0.000 1.150 102 P CA 0.872 63.960 63.100 -0.020 0.000 0.832 102 P CB -0.073 31.618 31.700 -0.014 0.000 0.787 103 L N 0.202 121.418 121.223 -0.011 0.000 2.056 103 L HA -0.060 4.280 4.340 -0.001 0.000 0.207 103 L C 2.646 179.503 176.870 -0.021 0.000 1.078 103 L CA 1.723 56.562 54.840 -0.002 0.000 0.749 103 L CB -1.035 41.034 42.059 0.016 0.000 0.901 103 L HN -0.227 nan 8.230 nan 0.000 0.433 104 R N -0.599 119.882 120.500 -0.032 0.000 2.091 104 R HA -0.155 4.185 4.340 -0.001 0.000 0.238 104 R C 2.185 178.437 176.300 -0.079 0.000 1.136 104 R CA 1.390 57.450 56.100 -0.067 0.000 0.959 104 R CB -0.686 29.563 30.300 -0.084 0.000 0.856 104 R HN 0.520 nan 8.270 nan 0.000 0.437 105 A N 1.094 123.876 122.820 -0.063 0.000 1.929 105 A HA -0.020 4.300 4.320 -0.001 0.000 0.216 105 A C 2.348 179.893 177.584 -0.065 0.000 1.176 105 A CA 1.436 53.437 52.037 -0.060 0.000 0.628 105 A CB -0.469 18.502 19.000 -0.049 0.000 0.816 105 A HN 0.382 nan 8.150 nan 0.000 0.444 106 A N -0.170 122.612 122.820 -0.064 0.000 1.930 106 A HA -0.009 4.310 4.320 -0.001 0.000 0.217 106 A C 2.089 179.589 177.584 -0.140 0.000 1.175 106 A CA 1.385 53.372 52.037 -0.083 0.000 0.627 106 A CB -0.530 18.442 19.000 -0.046 0.000 0.815 106 A HN 0.479 nan 8.150 nan 0.000 0.443 107 I N -0.291 120.201 120.570 -0.130 0.000 2.163 107 I HA -0.253 3.916 4.170 -0.001 0.000 0.240 107 I C 3.001 179.094 176.117 -0.039 0.000 1.081 107 I CA 1.036 62.221 61.300 -0.191 0.000 1.353 107 I CB -0.344 37.387 38.000 -0.448 0.000 1.054 107 I HN 0.339 nan 8.210 nan 0.000 0.407 108 A N 1.658 124.480 122.820 0.004 0.000 1.883 108 A HA -0.289 4.030 4.320 -0.001 0.000 0.217 108 A C 2.339 179.975 177.584 0.087 0.000 1.186 108 A CA 2.460 54.571 52.037 0.123 0.000 0.624 108 A CB -0.670 18.328 19.000 -0.003 0.000 0.822 108 A HN 0.568 nan 8.150 nan 0.000 0.444 109 K N -1.545 118.835 120.400 -0.033 0.000 2.076 109 K HA -0.051 4.268 4.320 -0.001 0.000 0.204 109 K C 1.784 178.293 176.600 -0.152 0.000 1.051 109 K CA 1.776 58.023 56.287 -0.067 0.000 0.949 109 K CB -0.758 31.698 32.500 -0.073 0.000 0.726 109 K HN 0.244 nan 8.250 nan 0.000 0.443 110 T N 0.370 114.742 114.554 -0.304 0.000 2.777 110 T HA -0.031 4.319 4.350 -0.001 0.000 0.266 110 T C 1.103 175.427 174.700 -0.626 0.000 1.040 110 T CA 1.320 63.086 62.100 -0.556 0.000 1.141 110 T CB -0.167 68.148 68.868 -0.922 0.000 0.868 110 T HN 0.202 nan 8.240 nan 0.000 0.444 111 F N -1.167 118.651 119.950 -0.219 0.000 2.717 111 F HA 0.344 4.871 4.527 -0.001 0.000 0.297 111 F C 0.761 176.157 175.800 -0.675 0.000 1.113 111 F CA -0.598 57.129 58.000 -0.455 0.000 1.319 111 F CB 0.195 38.829 39.000 -0.610 0.000 1.097 111 F HN 0.145 nan 8.300 nan 0.000 0.595 112 Y N -0.602 119.798 120.300 0.167 0.000 2.675 112 Y HA 0.432 4.982 4.550 -0.001 0.000 0.248 112 Y C 1.347 177.281 175.900 0.056 0.000 1.161 112 Y CA -1.192 56.993 58.100 0.143 0.000 1.203 112 Y CB -0.200 38.334 38.460 0.125 0.000 1.262 112 Y HN -0.113 nan 8.280 nan 0.000 0.544 113 G N 0.220 109.071 108.800 0.084 0.000 2.313 113 G HA2 0.363 4.322 3.960 -0.001 0.000 0.250 113 G HA3 0.363 4.322 3.960 -0.001 0.000 0.250 113 G C 1.103 176.035 174.900 0.053 0.000 1.281 113 G CA 0.574 45.700 45.100 0.042 0.000 0.917 113 G HN 0.712 nan 8.290 nan 0.000 0.501 114 G N 1.235 110.062 108.800 0.044 0.000 2.176 114 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.253 114 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.253 114 G C 0.952 175.888 174.900 0.060 0.000 0.979 114 G CA 0.426 45.550 45.100 0.041 0.000 0.641 114 G HN 0.791 nan 8.290 nan 0.000 0.530 115 L N 0.506 121.785 121.223 0.093 0.000 2.700 115 L HA 0.438 4.778 4.340 -0.001 0.000 0.234 115 L C 1.919 178.810 176.870 0.036 0.000 1.156 115 L CA 0.466 55.377 54.840 0.118 0.000 0.946 115 L CB -0.074 42.139 42.059 0.256 0.000 1.216 115 L HN 0.940 nan 8.230 nan 0.000 0.493 116 G N 1.281 110.080 108.800 -0.000 0.000 2.198 116 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.257 116 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.257 116 G C 0.011 174.837 174.900 -0.124 0.000 1.042 116 G CA -0.213 44.855 45.100 -0.052 0.000 0.791 116 G HN 0.187 nan 8.290 nan 0.000 0.502 117 I N 1.176 121.675 120.570 -0.119 0.000 2.339 117 I HA 0.541 4.710 4.170 -0.001 0.000 0.290 117 I C 1.146 177.189 176.117 -0.124 0.000 0.994 117 I CA -0.468 60.713 61.300 -0.198 0.000 1.191 117 I CB 0.878 38.731 38.000 -0.245 0.000 1.343 117 I HN 0.153 nan 8.210 nan 0.000 0.458 118 G N 3.910 112.627 108.800 -0.139 0.000 2.477 118 G HA2 0.267 4.226 3.960 -0.001 0.000 0.304 118 G HA3 0.267 4.226 3.960 -0.001 0.000 0.304 118 G C 0.436 175.260 174.900 -0.126 0.000 1.175 118 G CA -0.321 44.714 45.100 -0.109 0.000 0.907 118 G HN 0.587 nan 8.290 nan 0.000 0.509 119 D N 0.130 120.466 120.400 -0.107 0.000 2.149 119 D HA -0.131 4.509 4.640 -0.001 0.000 0.198 119 D C 2.020 178.215 176.300 -0.175 0.000 0.990 119 D CA 1.553 55.481 54.000 -0.119 0.000 0.839 119 D CB 0.065 40.810 40.800 -0.091 0.000 0.948 119 D HN 0.592 nan 8.370 nan 0.000 0.460 120 D N 0.122 120.419 120.400 -0.172 0.000 2.363 120 D HA -0.111 4.528 4.640 -0.001 0.000 0.220 120 D C 0.697 176.799 176.300 -0.331 0.000 0.994 120 D CA 0.439 54.303 54.000 -0.226 0.000 0.890 120 D CB -0.235 40.482 40.800 -0.139 0.000 0.906 120 D HN 0.086 nan 8.370 nan 0.000 0.530 121 D N 0.258 120.500 120.400 -0.264 0.000 2.355 121 D HA 0.028 4.667 4.640 -0.001 0.000 0.218 121 D C 0.220 176.363 176.300 -0.261 0.000 1.004 121 D CA 0.139 54.009 54.000 -0.215 0.000 0.880 121 D CB 0.827 41.516 40.800 -0.184 0.000 0.911 121 D HN 0.123 nan 8.370 nan 0.000 0.528 122 V N 1.623 121.315 119.914 -0.371 0.000 2.370 122 V HA 0.256 4.376 4.120 -0.001 0.000 0.279 122 V C -0.465 175.447 176.094 -0.303 0.000 1.029 122 V CA -0.589 61.597 62.300 -0.191 0.000 0.870 122 V CB 0.834 32.570 31.823 -0.146 0.000 0.984 122 V HN -0.140 nan 8.190 nan 0.000 0.451 123 F N 3.773 123.838 119.950 0.192 0.000 2.402 123 F HA 0.525 5.052 4.527 -0.001 0.000 0.355 123 F C 0.134 176.097 175.800 0.272 0.000 1.123 123 F CA -0.796 57.352 58.000 0.246 0.000 1.021 123 F CB 1.621 40.872 39.000 0.417 0.000 1.160 123 F HN 0.169 nan 8.300 nan 0.000 0.451 124 V N 3.291 123.402 119.914 0.329 0.000 2.546 124 V HA 0.572 4.692 4.120 -0.001 0.000 0.284 124 V C 0.056 176.285 176.094 0.225 0.000 1.050 124 V CA -0.335 62.148 62.300 0.305 0.000 0.981 124 V CB 1.422 33.384 31.823 0.230 0.000 0.990 124 V HN 0.876 nan 8.190 nan 0.000 0.474 125 S N 1.961 117.760 115.700 0.165 0.000 2.704 125 S HA 0.437 4.906 4.470 -0.001 0.000 0.296 125 S C 0.380 175.046 174.600 0.110 0.000 1.138 125 S CA -0.745 57.405 58.200 -0.083 0.000 0.875 125 S CB 1.817 64.864 63.200 -0.257 0.000 1.151 125 S HN 0.545 nan 8.310 nan 0.000 0.500 126 D N 0.739 121.272 120.400 0.221 0.000 2.218 126 D HA 0.220 4.860 4.640 -0.001 0.000 0.204 126 D C 0.811 177.199 176.300 0.146 0.000 0.976 126 D CA 1.701 55.896 54.000 0.325 0.000 0.853 126 D CB -0.203 40.920 40.800 0.538 0.000 0.939 126 D HN 0.813 nan 8.370 nan 0.000 0.481 127 G N -2.036 106.799 108.800 0.059 0.000 2.576 127 G HA2 0.465 4.424 3.960 -0.001 0.000 0.290 127 G HA3 0.465 4.424 3.960 -0.001 0.000 0.290 127 G C 0.002 174.895 174.900 -0.011 0.000 1.442 127 G CA 0.095 45.214 45.100 0.031 0.000 0.792 127 G HN -0.008 nan 8.290 nan 0.000 0.491 128 A N -0.142 122.654 122.820 -0.039 0.000 1.997 128 A HA 0.258 4.577 4.320 -0.001 0.000 0.212 128 A C 1.960 179.527 177.584 -0.028 0.000 1.178 128 A CA 1.671 53.668 52.037 -0.066 0.000 0.698 128 A CB -0.194 18.716 19.000 -0.150 0.000 0.842 128 A HN 0.539 nan 8.150 nan 0.000 0.458 129 K N 0.253 120.638 120.400 -0.024 0.000 2.097 129 K HA -0.159 4.161 4.320 -0.001 0.000 0.205 129 K C 1.881 178.501 176.600 0.034 0.000 1.050 129 K CA 1.794 58.090 56.287 0.014 0.000 0.938 129 K CB -0.354 32.149 32.500 0.006 0.000 0.718 129 K HN 0.722 nan 8.250 nan 0.000 0.442 130 C N 0.072 119.385 119.300 0.021 0.000 2.481 130 C HA 0.094 4.554 4.460 -0.001 0.000 0.275 130 C C 1.883 176.890 174.990 0.029 0.000 1.419 130 C CA -0.199 58.833 59.018 0.024 0.000 1.773 130 C CB -0.639 27.112 27.740 0.019 0.000 1.862 130 C HN 0.337 nan 8.230 nan 0.000 0.530 131 D N 1.869 122.289 120.400 0.033 0.000 2.117 131 D HA -0.025 4.614 4.640 -0.001 0.000 0.198 131 D C 2.007 178.379 176.300 0.120 0.000 0.982 131 D CA 1.050 55.097 54.000 0.080 0.000 0.828 131 D CB -0.316 40.520 40.800 0.061 0.000 0.967 131 D HN 0.511 nan 8.370 nan 0.000 0.464 132 I N 0.665 121.311 120.570 0.126 0.000 2.151 132 I HA -0.326 3.843 4.170 -0.001 0.000 0.243 132 I C 2.345 178.550 176.117 0.146 0.000 1.080 132 I CA 1.030 62.438 61.300 0.181 0.000 1.339 132 I CB -0.286 37.823 38.000 0.181 0.000 1.039 132 I HN -0.079 nan 8.210 nan 0.000 0.409 133 S N 0.404 116.160 115.700 0.094 0.000 2.359 133 S HA -0.197 4.272 4.470 -0.001 0.000 0.224 133 S C 2.039 176.683 174.600 0.073 0.000 1.035 133 S CA 1.396 59.637 58.200 0.070 0.000 1.018 133 S CB -0.349 62.877 63.200 0.043 0.000 0.876 133 S HN 0.397 nan 8.310 nan 0.000 0.448 134 R N 0.732 121.279 120.500 0.078 0.000 2.075 134 R HA 0.066 4.405 4.340 -0.001 0.000 0.232 134 R C 2.320 178.691 176.300 0.118 0.000 1.126 134 R CA 1.022 57.164 56.100 0.070 0.000 0.963 134 R CB -0.621 29.703 30.300 0.041 0.000 0.858 134 R HN 0.324 nan 8.270 nan 0.000 0.435 135 L N 0.878 122.193 121.223 0.154 0.000 2.043 135 L HA -0.246 4.094 4.340 -0.001 0.000 0.212 135 L C 2.674 179.462 176.870 -0.136 0.000 1.075 135 L CA 1.317 56.102 54.840 -0.091 0.000 0.752 135 L CB -0.432 41.567 42.059 -0.099 0.000 0.891 135 L HN 0.235 nan 8.230 nan 0.000 0.432 136 Q N -0.605 119.274 119.800 0.131 0.000 2.167 136 Q HA -0.117 4.222 4.340 -0.001 0.000 0.202 136 Q C 2.434 178.523 176.000 0.149 0.000 0.970 136 Q CA 1.232 57.181 55.803 0.242 0.000 0.855 136 Q CB -0.239 28.634 28.738 0.226 0.000 0.911 136 Q HN 0.415 nan 8.270 nan 0.000 0.438 137 V N 1.397 121.357 119.914 0.076 0.000 2.343 137 V HA -0.271 3.849 4.120 -0.001 0.000 0.247 137 V C 2.388 178.507 176.094 0.041 0.000 1.051 137 V CA 1.756 64.086 62.300 0.050 0.000 1.036 137 V CB -0.610 31.227 31.823 0.023 0.000 0.654 137 V HN 0.376 nan 8.190 nan 0.000 0.451 138 M N -0.690 118.909 119.600 -0.002 0.000 2.086 138 M HA -0.188 4.292 4.480 -0.001 0.000 0.261 138 M C 2.158 178.494 176.300 0.060 0.000 1.067 138 M CA 2.235 57.524 55.300 -0.018 0.000 1.116 138 M CB -0.229 32.328 32.600 -0.072 0.000 1.348 138 M HN 0.312 nan 8.290 nan 0.000 0.407 139 F N 0.894 120.938 119.950 0.156 0.000 2.134 139 F HA 0.148 4.675 4.527 -0.001 0.000 0.299 139 F C 1.887 177.732 175.800 0.075 0.000 1.097 139 F CA 1.133 59.220 58.000 0.144 0.000 1.264 139 F CB -1.382 37.705 39.000 0.144 0.000 1.001 139 F HN 0.427 nan 8.300 nan 0.000 0.479 140 G N -0.507 108.436 108.800 0.239 0.000 2.728 140 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.294 140 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.294 140 G C 0.776 175.745 174.900 0.114 0.000 1.342 140 G CA -0.004 45.173 45.100 0.128 0.000 0.866 140 G HN 0.527 nan 8.290 nan 0.000 0.534 141 S N -1.147 114.592 115.700 0.065 0.000 2.489 141 S HA -0.006 4.463 4.470 -0.001 0.000 0.228 141 S C 1.286 175.912 174.600 0.042 0.000 0.995 141 S CA 1.424 59.654 58.200 0.050 0.000 0.934 141 S CB -0.107 63.110 63.200 0.029 0.000 0.771 141 S HN 0.695 nan 8.310 nan 0.000 0.522 142 N N 1.443 120.165 118.700 0.038 0.000 2.276 142 N HA 0.224 4.963 4.740 -0.001 0.000 0.212 142 N C -0.140 175.382 175.510 0.020 0.000 1.127 142 N CA -0.114 52.949 53.050 0.021 0.000 0.834 142 N CB 0.938 39.428 38.487 0.005 0.000 1.014 142 N HN 0.455 nan 8.380 nan 0.000 0.491 143 V N -1.705 118.228 119.914 0.033 0.000 2.834 143 V HA 0.625 4.745 4.120 -0.001 0.000 0.313 143 V C 0.492 176.589 176.094 0.004 0.000 1.060 143 V CA -0.836 61.465 62.300 0.002 0.000 0.989 143 V CB 1.421 33.224 31.823 -0.034 0.000 1.041 143 V HN 0.049 nan 8.190 nan 0.000 0.459 144 T N 1.403 115.946 114.554 -0.018 0.000 2.925 144 T HA 0.824 5.173 4.350 -0.001 0.000 0.285 144 T C -0.308 174.385 174.700 -0.013 0.000 1.021 144 T CA -0.483 61.617 62.100 -0.001 0.000 1.042 144 T CB 1.644 70.512 68.868 -0.001 0.000 1.037 144 T HN 1.363 nan 8.240 nan 0.000 0.481 145 I N -1.289 119.296 120.570 0.024 0.000 2.934 145 I HA 0.935 5.104 4.170 -0.001 0.000 0.306 145 I C -0.857 175.285 176.117 0.042 0.000 1.110 145 I CA -1.709 59.624 61.300 0.055 0.000 1.019 145 I CB 1.917 40.058 38.000 0.235 0.000 1.227 145 I HN 0.925 nan 8.210 nan 0.000 0.434 146 A N 3.757 126.613 122.820 0.060 0.000 2.374 146 A HA 0.899 5.218 4.320 -0.001 0.000 0.317 146 A C -0.662 176.971 177.584 0.082 0.000 1.094 146 A CA -0.472 51.589 52.037 0.040 0.000 0.765 146 A CB 1.752 20.790 19.000 0.064 0.000 1.268 146 A HN 1.385 nan 8.150 nan 0.000 0.438 147 V N -0.408 119.508 119.914 0.002 0.000 3.007 147 V HA 0.619 4.738 4.120 -0.001 0.000 0.311 147 V C -0.517 175.586 176.094 0.015 0.000 1.120 147 V CA -1.011 61.309 62.300 0.033 0.000 0.980 147 V CB 1.188 33.015 31.823 0.007 0.000 1.033 147 V HN 0.958 nan 8.190 nan 0.000 0.429 148 Q N 1.332 121.134 119.800 0.003 0.000 2.395 148 Q HA 0.341 4.680 4.340 -0.001 0.000 0.271 148 Q C -0.898 175.130 176.000 0.046 0.000 1.026 148 Q CA 0.601 56.383 55.803 -0.035 0.000 0.900 148 Q CB 0.535 29.171 28.738 -0.170 0.000 1.266 148 Q HN 0.864 nan 8.270 nan 0.000 0.430 149 D N 2.649 123.089 120.400 0.067 0.000 2.469 149 D HA 0.300 4.940 4.640 -0.001 0.000 0.251 149 D C -2.589 173.748 176.300 0.060 0.000 1.173 149 D CA -2.065 52.020 54.000 0.143 0.000 0.882 149 D CB 1.243 42.197 40.800 0.257 0.000 1.129 149 D HN 0.143 nan 8.370 nan 0.000 0.549 150 P HA 0.322 nan 4.420 nan 0.000 0.276 150 P C -0.851 176.404 177.300 -0.075 0.000 1.244 150 P CA -0.413 62.680 63.100 -0.012 0.000 0.801 150 P CB 1.305 32.898 31.700 -0.179 0.000 1.006 151 S N -0.325 115.409 115.700 0.057 0.000 2.615 151 S HA 0.294 4.764 4.470 -0.001 0.000 0.269 151 S C -1.033 173.704 174.600 0.227 0.000 1.161 151 S CA -0.827 57.421 58.200 0.081 0.000 0.817 151 S CB 0.207 63.518 63.200 0.184 0.000 1.131 151 S HN 0.362 nan 8.310 nan 0.000 0.467 152 Y N 3.630 123.955 120.300 0.042 0.000 2.881 152 Y HA 0.187 4.737 4.550 -0.001 0.000 0.335 152 Y C -1.510 174.249 175.900 -0.235 0.000 1.263 152 Y CA -0.709 57.356 58.100 -0.060 0.000 1.572 152 Y CB 0.581 38.889 38.460 -0.254 0.000 1.237 152 Y HN 0.493 nan 8.280 nan 0.000 0.568 153 P HA -0.060 nan 4.420 nan 0.000 0.237 153 P C 0.846 178.025 177.300 -0.202 0.000 1.178 153 P CA 1.422 64.333 63.100 -0.316 0.000 0.766 153 P CB -0.005 31.482 31.700 -0.356 0.000 0.876 154 A N -0.710 121.894 122.820 -0.360 0.000 2.019 154 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 154 A C 1.873 179.352 177.584 -0.174 0.000 1.164 154 A CA 1.142 53.096 52.037 -0.139 0.000 0.644 154 A CB -1.526 17.481 19.000 0.011 0.000 0.805 154 A HN 0.064 nan 8.150 nan 0.000 0.449 155 Y N -0.298 119.919 120.300 -0.139 0.000 2.089 155 Y HA -0.162 4.387 4.550 -0.001 0.000 0.282 155 Y C 2.627 178.312 175.900 -0.359 0.000 1.139 155 Y CA 0.903 58.736 58.100 -0.445 0.000 1.123 155 Y CB -1.362 36.781 38.460 -0.528 0.000 0.980 155 Y HN 0.062 nan 8.280 nan 0.000 0.493 156 V N 0.365 120.246 119.914 -0.056 0.000 2.287 156 V HA -0.309 3.810 4.120 -0.001 0.000 0.248 156 V C 2.011 177.997 176.094 -0.180 0.000 1.053 156 V CA 2.338 64.589 62.300 -0.082 0.000 1.027 156 V CB -0.699 31.160 31.823 0.060 0.000 0.646 156 V HN 0.325 nan 8.190 nan 0.000 0.447 157 D N -0.070 120.229 120.400 -0.167 0.000 2.117 157 D HA -0.163 4.476 4.640 -0.001 0.000 0.197 157 D C 2.355 178.522 176.300 -0.222 0.000 0.987 157 D CA 1.620 55.460 54.000 -0.267 0.000 0.829 157 D CB -0.106 40.504 40.800 -0.316 0.000 0.961 157 D HN 0.555 nan 8.370 nan 0.000 0.460 158 S N -1.017 114.596 115.700 -0.146 0.000 2.382 158 S HA -0.184 4.285 4.470 -0.001 0.000 0.228 158 S C 2.099 176.657 174.600 -0.071 0.000 1.027 158 S CA 1.481 59.629 58.200 -0.087 0.000 0.991 158 S CB -0.534 62.640 63.200 -0.042 0.000 0.823 158 S HN 0.164 nan 8.310 nan 0.000 0.469 159 S N 0.821 116.464 115.700 -0.094 0.000 2.356 159 S HA -0.062 4.408 4.470 -0.001 0.000 0.223 159 S C 1.867 176.406 174.600 -0.102 0.000 1.032 159 S CA 1.351 59.520 58.200 -0.051 0.000 1.005 159 S CB -0.748 62.422 63.200 -0.051 0.000 0.867 159 S HN 0.455 nan 8.310 nan 0.000 0.449 160 V N 2.131 121.911 119.914 -0.223 0.000 2.287 160 V HA -0.174 3.946 4.120 -0.001 0.000 0.248 160 V C 2.304 178.309 176.094 -0.149 0.000 1.053 160 V CA 2.077 64.214 62.300 -0.271 0.000 1.027 160 V CB -0.687 30.811 31.823 -0.541 0.000 0.646 160 V HN 0.513 nan 8.190 nan 0.000 0.447 161 I N -0.715 119.771 120.570 -0.141 0.000 2.208 161 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 161 I C 2.285 178.376 176.117 -0.042 0.000 1.097 161 I CA 1.401 62.648 61.300 -0.088 0.000 1.363 161 I CB -0.281 37.664 38.000 -0.091 0.000 1.051 161 I HN 0.274 nan 8.210 nan 0.000 0.413 162 M N 0.089 119.676 119.600 -0.023 0.000 2.659 162 M HA 0.110 4.590 4.480 -0.001 0.000 0.243 162 M C 1.471 177.779 176.300 0.013 0.000 1.111 162 M CA 0.724 56.031 55.300 0.012 0.000 1.070 162 M CB -0.999 31.631 32.600 0.050 0.000 1.525 162 M HN 0.459 nan 8.290 nan 0.000 0.517 163 G N 0.653 109.451 108.800 -0.005 0.000 2.137 163 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.237 163 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.237 163 G C 0.670 175.580 174.900 0.016 0.000 1.002 163 G CA 0.344 45.447 45.100 0.005 0.000 0.702 163 G HN 0.518 nan 8.290 nan 0.000 0.515 164 Q N -0.132 119.677 119.800 0.015 0.000 2.403 164 Q HA 0.198 4.538 4.340 -0.001 0.000 0.203 164 Q C 1.493 177.510 176.000 0.029 0.000 0.932 164 Q CA 1.148 56.968 55.803 0.029 0.000 0.945 164 Q CB 0.410 29.175 28.738 0.044 0.000 1.045 164 Q HN 0.785 nan 8.270 nan 0.000 0.511 165 T N -4.129 110.439 114.554 0.024 0.000 2.888 165 T HA 0.689 5.038 4.350 -0.001 0.000 0.288 165 T C 0.381 175.132 174.700 0.085 0.000 1.063 165 T CA -0.500 61.635 62.100 0.057 0.000 1.010 165 T CB 1.779 70.672 68.868 0.043 0.000 1.214 165 T HN 0.068 nan 8.240 nan 0.000 0.533 166 G N -0.139 108.740 108.800 0.131 0.000 2.531 166 G HA2 0.529 4.488 3.960 -0.001 0.000 0.281 166 G HA3 0.529 4.488 3.960 -0.001 0.000 0.281 166 G C -0.386 174.648 174.900 0.223 0.000 1.382 166 G CA -0.718 44.465 45.100 0.138 0.000 1.045 166 G HN 0.770 nan 8.290 nan 0.000 0.533 167 Q N -1.059 118.852 119.800 0.185 0.000 2.535 167 Q HA 0.147 4.486 4.340 -0.001 0.000 0.228 167 Q C -0.762 175.389 176.000 0.252 0.000 1.062 167 Q CA -0.354 55.585 55.803 0.226 0.000 0.967 167 Q CB 1.064 29.880 28.738 0.130 0.000 1.273 167 Q HN 0.345 nan 8.270 nan 0.000 0.554 168 F N 2.217 122.159 119.950 -0.014 0.000 2.456 168 F HA 0.050 4.576 4.527 -0.001 0.000 0.358 168 F C 0.506 176.205 175.800 -0.169 0.000 1.095 168 F CA -0.257 57.547 58.000 -0.327 0.000 1.216 168 F CB 0.477 39.150 39.000 -0.546 0.000 1.125 168 F HN 0.321 nan 8.300 nan 0.000 0.549 169 N N 3.833 122.185 118.700 -0.580 0.000 2.426 169 N HA 0.082 4.821 4.740 -0.001 0.000 0.257 169 N C 0.686 175.888 175.510 -0.514 0.000 1.002 169 N CA 0.130 52.948 53.050 -0.386 0.000 0.942 169 N CB 1.348 39.657 38.487 -0.296 0.000 1.112 169 N HN 0.777 nan 8.380 nan 0.000 0.499 170 T N 0.222 114.659 114.554 -0.195 0.000 2.942 170 T HA -0.054 4.296 4.350 -0.001 0.000 0.265 170 T C 0.915 175.554 174.700 -0.102 0.000 1.062 170 T CA 0.724 62.781 62.100 -0.072 0.000 1.139 170 T CB 0.048 68.951 68.868 0.059 0.000 0.883 170 T HN 0.337 nan 8.240 nan 0.000 0.468 171 D N 1.981 122.314 120.400 -0.111 0.000 2.133 171 D HA -0.097 4.543 4.640 -0.001 0.000 0.195 171 D C 2.234 178.459 176.300 -0.124 0.000 0.997 171 D CA 1.759 55.704 54.000 -0.092 0.000 0.840 171 D CB -0.287 40.466 40.800 -0.078 0.000 0.947 171 D HN 0.581 nan 8.370 nan 0.000 0.452 172 V N -3.200 116.592 119.914 -0.205 0.000 3.660 172 V HA 0.148 4.268 4.120 -0.001 0.000 0.276 172 V C 0.257 176.155 176.094 -0.327 0.000 1.317 172 V CA -0.217 61.945 62.300 -0.230 0.000 1.097 172 V CB 0.145 31.831 31.823 -0.228 0.000 0.863 172 V HN -0.048 nan 8.190 nan 0.000 0.438 173 Q N 0.506 120.037 119.800 -0.449 0.000 2.463 173 Q HA -0.185 4.154 4.340 -0.001 0.000 0.299 173 Q C -0.265 175.241 176.000 -0.824 0.000 1.353 173 Q CA 1.179 56.653 55.803 -0.548 0.000 0.828 173 Q CB -1.617 27.087 28.738 -0.057 0.000 1.157 173 Q HN 0.867 nan 8.270 nan 0.000 0.436 174 K N -0.232 119.465 120.400 -1.171 0.000 2.469 174 K HA 0.518 4.838 4.320 -0.001 0.000 0.254 174 K C -0.833 175.421 176.600 -0.576 0.000 0.939 174 K CA -0.736 55.116 56.287 -0.724 0.000 0.812 174 K CB 1.302 33.433 32.500 -0.615 0.000 1.301 174 K HN -0.054 nan 8.250 nan 0.000 0.433 175 Y N 0.200 120.583 120.300 0.138 0.000 2.309 175 Y HA 0.214 4.764 4.550 -0.001 0.000 0.327 175 Y C 1.359 177.346 175.900 0.144 0.000 1.172 175 Y CA 0.031 58.237 58.100 0.176 0.000 1.280 175 Y CB 0.873 39.491 38.460 0.264 0.000 1.234 175 Y HN 0.698 nan 8.280 nan 0.000 0.512 176 G N 1.967 110.903 108.800 0.227 0.000 2.353 176 G HA2 0.108 4.068 3.960 -0.001 0.000 0.239 176 G HA3 0.108 4.068 3.960 -0.001 0.000 0.239 176 G C 0.385 175.384 174.900 0.165 0.000 1.295 176 G CA 0.174 45.365 45.100 0.152 0.000 0.884 176 G HN 0.937 nan 8.290 nan 0.000 0.537 177 N N -0.898 117.879 118.700 0.130 0.000 2.979 177 N HA -0.194 4.546 4.740 -0.001 0.000 0.234 177 N C -0.030 175.534 175.510 0.090 0.000 0.938 177 N CA 0.889 53.997 53.050 0.096 0.000 0.961 177 N CB -1.519 37.013 38.487 0.075 0.000 1.089 177 N HN 0.552 nan 8.380 nan 0.000 0.576 178 I N 1.059 121.703 120.570 0.124 0.000 2.353 178 I HA 0.182 4.352 4.170 -0.001 0.000 0.293 178 I C 0.572 176.708 176.117 0.032 0.000 0.992 178 I CA -0.682 60.625 61.300 0.012 0.000 1.268 178 I CB 1.426 39.343 38.000 -0.138 0.000 1.387 178 I HN 0.073 nan 8.210 nan 0.000 0.478 179 E N 6.043 126.234 120.200 -0.015 0.000 1.996 179 E HA 0.155 4.504 4.350 -0.001 0.000 0.280 179 E C -1.539 175.056 176.600 -0.010 0.000 1.092 179 E CA -0.149 56.278 56.400 0.045 0.000 0.862 179 E CB 0.145 29.880 29.700 0.057 0.000 1.066 179 E HN 0.204 nan 8.360 nan 0.000 0.396 180 Y N 4.550 124.884 120.300 0.056 0.000 2.425 180 Y HA 0.222 4.771 4.550 -0.001 0.000 0.347 180 Y C 0.307 176.219 175.900 0.020 0.000 0.976 180 Y CA -0.416 57.715 58.100 0.051 0.000 1.190 180 Y CB 0.698 39.187 38.460 0.049 0.000 1.136 180 Y HN 0.369 nan 8.280 nan 0.000 0.517 181 M N 4.489 124.153 119.600 0.107 0.000 2.077 181 M HA 0.288 4.768 4.480 -0.001 0.000 0.348 181 M C 0.093 176.400 176.300 0.013 0.000 1.252 181 M CA -0.177 55.135 55.300 0.020 0.000 1.096 181 M CB 0.681 33.250 32.600 -0.051 0.000 1.568 181 M HN 0.511 nan 8.290 nan 0.000 0.456 182 R N 2.369 122.872 120.500 0.006 0.000 2.351 182 R HA 0.229 4.569 4.340 -0.001 0.000 0.318 182 R C -1.384 174.902 176.300 -0.023 0.000 1.055 182 R CA 0.099 56.205 56.100 0.010 0.000 0.968 182 R CB 0.246 30.548 30.300 0.003 0.000 0.974 182 R HN 0.759 nan 8.270 nan 0.000 0.439 183 C N 4.069 123.373 119.300 0.006 0.000 2.301 183 C HA 0.518 4.977 4.460 -0.001 0.000 0.323 183 C C 0.120 175.133 174.990 0.040 0.000 1.265 183 C CA -0.615 58.421 59.018 0.030 0.000 1.503 183 C CB 0.636 28.424 27.740 0.080 0.000 2.195 183 C HN 0.899 nan 8.230 nan 0.000 0.477 184 T N 0.517 114.939 114.554 -0.221 0.000 2.901 184 T HA 0.505 4.855 4.350 -0.001 0.000 0.293 184 T C -2.360 171.607 174.700 -1.221 0.000 1.084 184 T CA -1.625 60.198 62.100 -0.462 0.000 1.008 184 T CB 1.861 70.582 68.868 -0.244 0.000 1.170 184 T HN 0.133 nan 8.240 nan 0.000 0.509 185 P HA -0.103 nan 4.420 nan 0.000 0.216 185 P C 1.081 178.032 177.300 -0.581 0.000 1.154 185 P CA 1.237 63.645 63.100 -1.153 0.000 0.865 185 P CB 0.064 31.369 31.700 -0.658 0.000 0.789 186 E N -0.704 119.269 120.200 -0.378 0.000 2.204 186 E HA -0.131 4.219 4.350 -0.001 0.000 0.194 186 E C 1.148 177.642 176.600 -0.177 0.000 0.989 186 E CA 1.122 57.400 56.400 -0.203 0.000 0.824 186 E CB -0.821 28.797 29.700 -0.136 0.000 0.756 186 E HN 0.450 nan 8.360 nan 0.000 0.477 187 N N -0.922 117.642 118.700 -0.228 0.000 2.251 187 N HA 0.116 4.855 4.740 -0.001 0.000 0.217 187 N C 0.766 176.214 175.510 -0.104 0.000 1.124 187 N CA 0.475 53.452 53.050 -0.122 0.000 0.843 187 N CB 0.451 38.898 38.487 -0.067 0.000 1.024 187 N HN 0.072 nan 8.380 nan 0.000 0.501 188 G N 0.081 108.741 108.800 -0.232 0.000 2.233 188 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.270 188 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.270 188 G C 0.062 174.976 174.900 0.023 0.000 1.011 188 G CA 0.237 45.260 45.100 -0.129 0.000 0.762 188 G HN 0.379 nan 8.290 nan 0.000 0.511 189 F N -3.543 116.404 119.950 -0.004 0.000 3.018 189 F HA -0.154 4.373 4.527 -0.001 0.000 0.287 189 F C 0.551 176.399 175.800 0.081 0.000 0.813 189 F CA 1.019 58.998 58.000 -0.036 0.000 1.209 189 F CB -2.071 36.866 39.000 -0.105 0.000 1.321 189 F HN 0.561 nan 8.300 nan 0.000 0.477 190 F N 3.514 123.508 119.950 0.074 0.000 2.507 190 F HA 0.693 5.220 4.527 -0.001 0.000 0.325 190 F C -2.334 173.488 175.800 0.037 0.000 1.116 190 F CA -2.671 55.388 58.000 0.098 0.000 0.930 190 F CB 1.578 40.640 39.000 0.103 0.000 1.146 190 F HN -0.280 nan 8.300 nan 0.000 0.447 191 P HA 0.042 nan 4.420 nan 0.000 0.274 191 P C -1.068 176.068 177.300 -0.274 0.000 1.237 191 P CA -0.177 62.710 63.100 -0.355 0.000 0.793 191 P CB 0.837 32.308 31.700 -0.382 0.000 0.977 192 D N 1.648 121.968 120.400 -0.134 0.000 2.359 192 D HA 0.055 4.695 4.640 -0.001 0.000 0.250 192 D C 1.125 177.339 176.300 -0.144 0.000 1.264 192 D CA -0.007 53.947 54.000 -0.077 0.000 0.911 192 D CB -0.243 40.537 40.800 -0.033 0.000 1.056 192 D HN 0.207 nan 8.370 nan 0.000 0.499 193 L N 2.744 123.852 121.223 -0.192 0.000 2.456 193 L HA -0.130 4.209 4.340 -0.001 0.000 0.224 193 L C 2.317 179.098 176.870 -0.147 0.000 1.148 193 L CA 0.788 55.398 54.840 -0.383 0.000 0.825 193 L CB -0.310 41.414 42.059 -0.557 0.000 0.937 193 L HN 0.389 nan 8.230 nan 0.000 0.450 194 S N -1.744 113.941 115.700 -0.026 0.000 2.481 194 S HA -0.118 4.351 4.470 -0.001 0.000 0.231 194 S C 1.811 176.438 174.600 0.044 0.000 0.996 194 S CA 1.030 59.258 58.200 0.048 0.000 0.942 194 S CB -0.540 62.685 63.200 0.041 0.000 0.768 194 S HN 0.540 nan 8.310 nan 0.000 0.520 195 T N -1.034 113.523 114.554 0.004 0.000 3.086 195 T HA 0.360 4.710 4.350 -0.001 0.000 0.250 195 T C 0.270 174.986 174.700 0.027 0.000 1.074 195 T CA -0.298 61.810 62.100 0.014 0.000 0.988 195 T CB -0.149 68.716 68.868 -0.005 0.000 0.988 195 T HN 0.145 nan 8.240 nan 0.000 0.530 196 V N 2.291 122.221 119.914 0.027 0.000 2.383 196 V HA 0.658 4.777 4.120 -0.001 0.000 0.275 196 V C 1.191 177.415 176.094 0.217 0.000 1.036 196 V CA -0.948 61.390 62.300 0.063 0.000 0.889 196 V CB 0.797 32.556 31.823 -0.106 0.000 0.985 196 V HN 0.561 nan 8.190 nan 0.000 0.459 197 G N 3.987 112.880 108.800 0.154 0.000 2.527 197 G HA2 0.248 4.208 3.960 -0.001 0.000 0.248 197 G HA3 0.248 4.208 3.960 -0.001 0.000 0.248 197 G C 0.088 175.078 174.900 0.150 0.000 1.231 197 G CA -0.439 44.740 45.100 0.131 0.000 0.838 197 G HN 0.613 nan 8.290 nan 0.000 0.570 198 R N 0.073 120.607 120.500 0.057 0.000 2.537 198 R HA 0.238 4.577 4.340 -0.001 0.000 0.280 198 R C 0.182 176.477 176.300 -0.009 0.000 1.058 198 R CA 0.537 56.620 56.100 -0.028 0.000 1.057 198 R CB 0.149 30.394 30.300 -0.092 0.000 0.973 198 R HN 0.713 nan 8.270 nan 0.000 0.438 199 T N -0.868 113.669 114.554 -0.028 0.000 2.838 199 T HA 0.249 4.598 4.350 -0.001 0.000 0.292 199 T C 0.470 175.121 174.700 -0.082 0.000 1.113 199 T CA -0.949 61.131 62.100 -0.035 0.000 1.008 199 T CB 1.546 70.409 68.868 -0.010 0.000 1.259 199 T HN 0.430 nan 8.240 nan 0.000 0.520 200 D N -0.014 120.328 120.400 -0.097 0.000 2.103 200 D HA 0.063 4.702 4.640 -0.001 0.000 0.199 200 D C 0.622 176.782 176.300 -0.234 0.000 0.978 200 D CA 1.214 55.127 54.000 -0.145 0.000 0.829 200 D CB 0.170 40.885 40.800 -0.142 0.000 0.981 200 D HN 0.389 nan 8.370 nan 0.000 0.464 201 I N 0.997 121.404 120.570 -0.271 0.000 2.530 201 I HA 0.358 4.527 4.170 -0.001 0.000 0.297 201 I C -0.060 175.879 176.117 -0.297 0.000 1.011 201 I CA -0.779 60.258 61.300 -0.439 0.000 1.107 201 I CB 2.016 39.611 38.000 -0.676 0.000 1.285 201 I HN -0.191 nan 8.210 nan 0.000 0.436 202 I N 5.302 125.678 120.570 -0.324 0.000 2.420 202 I HA 0.304 4.473 4.170 -0.001 0.000 0.282 202 I C -0.847 175.114 176.117 -0.261 0.000 1.019 202 I CA -0.395 60.812 61.300 -0.155 0.000 1.130 202 I CB 1.109 39.115 38.000 0.010 0.000 1.262 202 I HN 0.223 nan 8.210 nan 0.000 0.454 203 F N 6.415 126.303 119.950 -0.104 0.000 2.445 203 F HA 0.384 4.910 4.527 -0.001 0.000 0.359 203 F C -0.211 175.484 175.800 -0.175 0.000 1.101 203 F CA -0.169 57.669 58.000 -0.269 0.000 1.177 203 F CB 0.661 39.303 39.000 -0.596 0.000 1.110 203 F HN 0.271 nan 8.300 nan 0.000 0.522 204 F N 4.361 124.227 119.950 -0.141 0.000 2.562 204 F HA 0.482 5.008 4.527 -0.001 0.000 0.319 204 F C -1.131 174.548 175.800 -0.202 0.000 1.154 204 F CA -1.140 56.803 58.000 -0.094 0.000 0.931 204 F CB 0.963 39.980 39.000 0.028 0.000 1.198 204 F HN 0.481 nan 8.300 nan 0.000 0.444 205 C N 4.999 123.969 119.300 -0.550 0.000 2.322 205 C HA 0.840 5.300 4.460 -0.001 0.000 0.324 205 C C -0.711 174.006 174.990 -0.454 0.000 1.284 205 C CA -0.121 58.672 59.018 -0.376 0.000 1.606 205 C CB 0.055 27.735 27.740 -0.101 0.000 2.251 205 C HN 0.814 nan 8.230 nan 0.000 0.502 206 S N 6.774 122.268 115.700 -0.342 0.000 2.668 206 S HA 0.611 5.080 4.470 -0.001 0.000 0.277 206 S C -2.966 171.617 174.600 -0.028 0.000 1.170 206 S CA -0.698 57.445 58.200 -0.095 0.000 0.994 206 S CB 1.550 64.887 63.200 0.228 0.000 1.051 206 S HN 0.681 nan 8.310 nan 0.000 0.484 207 P HA 0.112 nan 4.420 nan 0.000 0.268 207 P C -0.593 176.684 177.300 -0.038 0.000 1.205 207 P CA -0.250 62.845 63.100 -0.009 0.000 0.771 207 P CB 0.353 32.038 31.700 -0.025 0.000 0.858 208 N N 3.126 121.741 118.700 -0.143 0.000 2.520 208 N HA 0.008 4.747 4.740 -0.001 0.000 0.273 208 N C -0.589 174.791 175.510 -0.217 0.000 1.155 208 N CA -0.033 52.881 53.050 -0.225 0.000 0.967 208 N CB 0.180 38.455 38.487 -0.354 0.000 1.092 208 N HN 0.257 nan 8.380 nan 0.000 0.457 209 N N 3.898 122.453 118.700 -0.241 0.000 2.444 209 N HA 0.334 5.073 4.740 -0.001 0.000 0.262 209 N C -2.129 172.988 175.510 -0.656 0.000 0.974 209 N CA -2.097 50.625 53.050 -0.546 0.000 0.933 209 N CB 1.579 39.884 38.487 -0.304 0.000 1.137 209 N HN 0.418 nan 8.380 nan 0.000 0.498 210 P HA 0.124 nan 4.420 nan 0.000 0.275 210 P C 0.649 177.121 177.300 -1.379 0.000 1.310 210 P CA 0.294 62.403 63.100 -1.651 0.000 0.904 210 P CB 0.322 30.513 31.700 -2.516 0.000 1.381 211 T N -4.568 109.186 114.554 -1.334 0.000 3.067 211 T HA 0.213 4.563 4.350 -0.001 0.000 0.261 211 T C 1.703 176.005 174.700 -0.664 0.000 1.110 211 T CA 1.096 62.348 62.100 -1.413 0.000 1.113 211 T CB -1.118 66.750 68.868 -1.667 0.000 0.917 211 T HN 0.172 nan 8.240 nan 0.000 0.499 212 G N 1.413 110.013 108.800 -0.334 0.000 2.184 212 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.264 212 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.264 212 G C 0.315 175.078 174.900 -0.228 0.000 0.975 212 G CA 0.030 44.975 45.100 -0.258 0.000 0.642 212 G HN 1.273 nan 8.290 nan 0.000 0.536 213 A N 0.073 122.738 122.820 -0.258 0.000 2.450 213 A HA 0.771 5.091 4.320 -0.001 0.000 0.255 213 A C 0.686 178.257 177.584 -0.022 0.000 1.096 213 A CA 1.037 53.020 52.037 -0.090 0.000 0.778 213 A CB 0.606 19.596 19.000 -0.015 0.000 1.031 213 A HN 2.054 nan 8.150 nan 0.000 0.494 214 A N 2.563 125.408 122.820 0.042 0.000 2.271 214 A HA 0.680 4.999 4.320 -0.001 0.000 0.317 214 A C 0.538 178.207 177.584 0.143 0.000 1.245 214 A CA 0.058 52.148 52.037 0.088 0.000 0.857 214 A CB 0.376 19.415 19.000 0.065 0.000 1.175 214 A HN 2.053 nan 8.150 nan 0.000 0.512 215 A N 2.642 125.607 122.820 0.242 0.000 2.477 215 A HA 0.526 4.845 4.320 -0.001 0.000 0.246 215 A C 1.056 178.688 177.584 0.079 0.000 1.078 215 A CA 0.538 52.707 52.037 0.221 0.000 0.770 215 A CB -0.347 18.909 19.000 0.427 0.000 1.011 215 A HN 1.540 nan 8.150 nan 0.000 0.494 216 T N -0.090 114.441 114.554 -0.039 0.000 2.788 216 T HA 0.237 4.587 4.350 -0.001 0.000 0.287 216 T C 1.262 175.918 174.700 -0.073 0.000 1.007 216 T CA 0.075 62.144 62.100 -0.052 0.000 1.005 216 T CB 0.599 69.416 68.868 -0.086 0.000 1.012 216 T HN 0.723 nan 8.240 nan 0.000 0.530 217 R N 0.258 120.728 120.500 -0.050 0.000 2.091 217 R HA -0.151 4.189 4.340 -0.001 0.000 0.238 217 R C 2.033 178.279 176.300 -0.089 0.000 1.136 217 R CA 1.939 58.006 56.100 -0.055 0.000 0.959 217 R CB -0.347 29.934 30.300 -0.032 0.000 0.856 217 R HN 0.782 nan 8.270 nan 0.000 0.437 218 E N 0.314 120.451 120.200 -0.106 0.000 2.106 218 E HA -0.172 4.177 4.350 -0.001 0.000 0.192 218 E C 2.054 178.536 176.600 -0.197 0.000 0.984 218 E CA 1.295 57.622 56.400 -0.121 0.000 0.806 218 E CB -0.054 29.581 29.700 -0.107 0.000 0.750 218 E HN 0.443 nan 8.360 nan 0.000 0.458 219 Q N -0.056 119.548 119.800 -0.327 0.000 2.046 219 Q HA -0.063 4.277 4.340 -0.001 0.000 0.200 219 Q C 2.214 177.999 176.000 -0.358 0.000 0.975 219 Q CA 1.022 56.431 55.803 -0.658 0.000 0.836 219 Q CB -0.118 27.954 28.738 -1.110 0.000 0.896 219 Q HN 0.283 nan 8.270 nan 0.000 0.428 220 L N -0.052 121.042 121.223 -0.216 0.000 2.093 220 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 220 L C 2.386 179.182 176.870 -0.123 0.000 1.085 220 L CA 1.100 55.845 54.840 -0.158 0.000 0.755 220 L CB -0.711 41.267 42.059 -0.136 0.000 0.904 220 L HN 0.279 nan 8.230 nan 0.000 0.435 221 T N -0.697 113.797 114.554 -0.101 0.000 2.684 221 T HA -0.271 4.078 4.350 -0.001 0.000 0.267 221 T C 1.899 176.581 174.700 -0.029 0.000 1.036 221 T CA 1.474 63.537 62.100 -0.062 0.000 1.148 221 T CB -0.226 68.611 68.868 -0.052 0.000 0.863 221 T HN 0.391 nan 8.240 nan 0.000 0.436 222 Q N 0.017 119.801 119.800 -0.025 0.000 2.096 222 Q HA -0.093 4.246 4.340 -0.001 0.000 0.204 222 Q C 2.372 178.427 176.000 0.092 0.000 0.982 222 Q CA 1.154 56.984 55.803 0.044 0.000 0.850 222 Q CB -0.357 28.424 28.738 0.073 0.000 0.901 222 Q HN 0.337 nan 8.270 nan 0.000 0.422 223 L N 0.029 121.286 121.223 0.057 0.000 2.017 223 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 223 L C 2.135 179.033 176.870 0.047 0.000 1.073 223 L CA 1.379 56.231 54.840 0.019 0.000 0.745 223 L CB -0.438 41.516 42.059 -0.175 0.000 0.894 223 L HN -0.019 nan 8.230 nan 0.000 0.432 224 V N -0.029 119.875 119.914 -0.017 0.000 2.287 224 V HA -0.301 3.819 4.120 -0.001 0.000 0.248 224 V C 2.504 178.612 176.094 0.024 0.000 1.053 224 V CA 2.144 64.434 62.300 -0.016 0.000 1.027 224 V CB -0.724 31.069 31.823 -0.049 0.000 0.646 224 V HN 0.522 nan 8.190 nan 0.000 0.447 225 E N -0.600 119.627 120.200 0.045 0.000 2.077 225 E HA -0.246 4.104 4.350 -0.001 0.000 0.193 225 E C 2.077 178.728 176.600 0.084 0.000 0.989 225 E CA 1.588 58.018 56.400 0.051 0.000 0.800 225 E CB -0.276 29.457 29.700 0.055 0.000 0.746 225 E HN 0.633 nan 8.360 nan 0.000 0.452 226 F N 1.817 121.752 119.950 -0.025 0.000 2.102 226 F HA -0.193 4.333 4.527 -0.001 0.000 0.298 226 F C 2.304 178.082 175.800 -0.038 0.000 1.105 226 F CA 1.558 59.543 58.000 -0.025 0.000 1.239 226 F CB -0.350 38.637 39.000 -0.021 0.000 0.991 226 F HN -0.061 nan 8.300 nan 0.000 0.474 227 A N 0.128 122.968 122.820 0.032 0.000 1.902 227 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 227 A C 2.302 179.807 177.584 -0.131 0.000 1.181 227 A CA 1.931 53.912 52.037 -0.093 0.000 0.623 227 A CB -0.912 18.080 19.000 -0.014 0.000 0.818 227 A HN 0.480 nan 8.150 nan 0.000 0.443 228 K N 0.344 120.700 120.400 -0.074 0.000 2.063 228 K HA -0.233 4.086 4.320 -0.001 0.000 0.208 228 K C 2.110 178.653 176.600 -0.095 0.000 1.048 228 K CA 1.988 58.235 56.287 -0.067 0.000 0.928 228 K CB -0.174 32.305 32.500 -0.035 0.000 0.713 228 K HN 0.631 nan 8.250 nan 0.000 0.442 229 K N -0.555 119.774 120.400 -0.118 0.000 2.155 229 K HA -0.031 4.289 4.320 -0.001 0.000 0.203 229 K C 1.415 177.907 176.600 -0.180 0.000 1.052 229 K CA 1.545 57.758 56.287 -0.124 0.000 0.948 229 K CB -0.036 32.406 32.500 -0.097 0.000 0.728 229 K HN -0.008 nan 8.250 nan 0.000 0.448 230 N N 0.776 119.298 118.700 -0.296 0.000 2.494 230 N HA 0.031 4.771 4.740 -0.001 0.000 0.182 230 N C 0.489 175.881 175.510 -0.197 0.000 1.076 230 N CA 1.090 53.953 53.050 -0.312 0.000 0.908 230 N CB 0.373 38.525 38.487 -0.558 0.000 0.967 230 N HN 0.550 nan 8.380 nan 0.000 0.449 231 G N 0.150 108.859 108.800 -0.151 0.000 2.273 231 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.280 231 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.280 231 G C -0.184 174.651 174.900 -0.107 0.000 1.047 231 G CA 0.527 45.567 45.100 -0.100 0.000 0.869 231 G HN 0.310 nan 8.290 nan 0.000 0.502 232 S N -0.955 114.662 115.700 -0.138 0.000 2.687 232 S HA 0.739 5.209 4.470 -0.001 0.000 0.283 232 S C 0.546 175.067 174.600 -0.131 0.000 1.170 232 S CA -0.567 57.548 58.200 -0.141 0.000 1.008 232 S CB 1.522 64.632 63.200 -0.150 0.000 1.026 232 S HN 0.375 nan 8.310 nan 0.000 0.541 233 I N 1.926 122.389 120.570 -0.178 0.000 2.354 233 I HA 0.361 4.530 4.170 -0.001 0.000 0.292 233 I C -0.687 175.305 176.117 -0.208 0.000 0.989 233 I CA -0.432 60.759 61.300 -0.181 0.000 1.188 233 I CB 0.971 38.836 38.000 -0.224 0.000 1.342 233 I HN 0.419 nan 8.210 nan 0.000 0.457 234 I N 6.667 127.156 120.570 -0.134 0.000 2.395 234 I HA 0.190 4.359 4.170 -0.001 0.000 0.289 234 I C -0.223 175.824 176.117 -0.116 0.000 1.023 234 I CA -0.540 60.689 61.300 -0.118 0.000 1.350 234 I CB 1.359 39.326 38.000 -0.055 0.000 1.409 234 I HN 0.211 nan 8.210 nan 0.000 0.507 235 V N 7.403 127.201 119.914 -0.193 0.000 2.311 235 V HA 0.164 4.283 4.120 -0.001 0.000 0.275 235 V C -0.648 175.473 176.094 0.044 0.000 1.022 235 V CA -0.618 61.618 62.300 -0.106 0.000 0.830 235 V CB 0.546 32.211 31.823 -0.263 0.000 1.012 235 V HN 0.446 nan 8.190 nan 0.000 0.452 236 Y N 3.859 124.134 120.300 -0.041 0.000 2.341 236 Y HA 0.497 5.047 4.550 -0.001 0.000 0.340 236 Y C 0.048 175.973 175.900 0.042 0.000 0.997 236 Y CA -0.734 57.381 58.100 0.025 0.000 1.149 236 Y CB 1.227 39.657 38.460 -0.051 0.000 1.171 236 Y HN 0.642 nan 8.280 nan 0.000 0.494 237 D N 3.602 123.849 120.400 -0.255 0.000 2.412 237 D HA 0.132 4.771 4.640 -0.001 0.000 0.224 237 D C -0.120 176.013 176.300 -0.279 0.000 1.093 237 D CA -0.174 53.734 54.000 -0.154 0.000 0.850 237 D CB 0.947 41.742 40.800 -0.008 0.000 1.046 237 D HN 0.571 nan 8.370 nan 0.000 0.507 238 S N 2.137 117.770 115.700 -0.111 0.000 2.583 238 S HA 0.294 4.763 4.470 -0.001 0.000 0.239 238 S C 1.742 176.381 174.600 0.067 0.000 0.966 238 S CA 0.028 58.236 58.200 0.014 0.000 0.973 238 S CB 0.558 63.948 63.200 0.316 0.000 0.794 238 S HN 0.389 nan 8.310 nan 0.000 0.463 239 A N 1.443 124.207 122.820 -0.094 0.000 1.940 239 A HA -0.142 4.178 4.320 -0.001 0.000 0.221 239 A C 1.404 178.767 177.584 -0.369 0.000 1.190 239 A CA 1.527 53.412 52.037 -0.254 0.000 0.647 239 A CB -1.009 17.662 19.000 -0.549 0.000 0.821 239 A HN 0.693 nan 8.150 nan 0.000 0.457 240 Y N -0.773 119.516 120.300 -0.018 0.000 2.532 240 Y HA 0.446 4.995 4.550 -0.001 0.000 0.283 240 Y C 2.210 178.099 175.900 -0.019 0.000 1.181 240 Y CA -0.279 57.830 58.100 0.015 0.000 1.256 240 Y CB -0.533 37.890 38.460 -0.061 0.000 1.112 240 Y HN 0.324 nan 8.280 nan 0.000 0.521 241 A N -0.024 122.725 122.820 -0.118 0.000 2.019 241 A HA -0.152 4.168 4.320 -0.001 0.000 0.219 241 A C 2.050 179.517 177.584 -0.194 0.000 1.164 241 A CA 1.251 53.216 52.037 -0.121 0.000 0.644 241 A CB -0.331 18.614 19.000 -0.091 0.000 0.805 241 A HN 0.256 nan 8.150 nan 0.000 0.449 242 M N -1.401 117.948 119.600 -0.418 0.000 2.460 242 M HA -0.048 4.431 4.480 -0.001 0.000 0.263 242 M C 1.050 177.199 176.300 -0.252 0.000 1.071 242 M CA 0.839 55.934 55.300 -0.342 0.000 1.096 242 M CB -1.347 30.982 32.600 -0.451 0.000 1.408 242 M HN 0.573 nan 8.290 nan 0.000 0.463 243 Y N -0.826 119.426 120.300 -0.080 0.000 2.529 243 Y HA 0.129 4.678 4.550 -0.001 0.000 0.290 243 Y C 1.056 176.925 175.900 -0.051 0.000 1.177 243 Y CA -0.478 57.594 58.100 -0.047 0.000 1.305 243 Y CB -0.475 37.950 38.460 -0.060 0.000 1.047 243 Y HN 0.116 nan 8.280 nan 0.000 0.522 244 M N -0.115 119.530 119.600 0.075 0.000 2.327 244 M HA -0.052 4.427 4.480 -0.001 0.000 0.353 244 M C 0.999 177.324 176.300 0.042 0.000 1.539 244 M CA 0.704 56.035 55.300 0.053 0.000 1.039 244 M CB 0.564 33.192 32.600 0.046 0.000 1.967 244 M HN 0.022 nan 8.290 nan 0.000 0.459 245 S N 1.957 117.679 115.700 0.036 0.000 2.510 245 S HA 0.126 4.595 4.470 -0.001 0.000 0.230 245 S C -0.011 174.608 174.600 0.032 0.000 1.066 245 S CA -0.146 58.074 58.200 0.033 0.000 0.941 245 S CB 0.154 63.369 63.200 0.025 0.000 0.829 245 S HN 0.756 nan 8.310 nan 0.000 0.530 246 D N 2.417 122.835 120.400 0.030 0.000 2.390 246 D HA 0.052 4.691 4.640 -0.001 0.000 0.236 246 D C -0.292 176.028 176.300 0.033 0.000 1.189 246 D CA 0.335 54.353 54.000 0.030 0.000 0.887 246 D CB 0.253 41.071 40.800 0.031 0.000 1.198 246 D HN 0.084 nan 8.370 nan 0.000 0.444 247 D N 0.877 121.294 120.400 0.029 0.000 2.558 247 D HA 0.089 4.728 4.640 -0.001 0.000 0.221 247 D C -0.882 175.436 176.300 0.030 0.000 1.143 247 D CA -0.195 53.823 54.000 0.029 0.000 1.010 247 D CB -0.803 40.011 40.800 0.023 0.000 1.068 247 D HN 0.215 nan 8.370 nan 0.000 0.511 248 N N 1.921 120.645 118.700 0.040 0.000 2.292 248 N HA 0.469 5.209 4.740 -0.001 0.000 0.303 248 N C -2.584 172.962 175.510 0.060 0.000 1.140 248 N CA -1.877 51.201 53.050 0.046 0.000 0.788 248 N CB 1.682 40.205 38.487 0.060 0.000 1.361 248 N HN 0.071 nan 8.380 nan 0.000 0.489 249 P HA 0.062 nan 4.420 nan 0.000 0.266 249 P C -0.153 177.220 177.300 0.121 0.000 1.195 249 P CA 0.174 63.315 63.100 0.069 0.000 0.768 249 P CB 0.789 32.508 31.700 0.031 0.000 0.838 250 R N 0.303 120.880 120.500 0.127 0.000 2.265 250 R HA 0.168 4.507 4.340 -0.001 0.000 0.194 250 R C 0.658 177.114 176.300 0.259 0.000 0.931 250 R CA 0.404 56.607 56.100 0.172 0.000 1.032 250 R CB 0.325 30.698 30.300 0.120 0.000 0.980 250 R HN 0.394 nan 8.270 nan 0.000 0.497 251 S N -0.133 115.675 115.700 0.180 0.000 2.521 251 S HA 0.206 4.675 4.470 -0.001 0.000 0.295 251 S C 0.594 175.065 174.600 -0.215 0.000 1.098 251 S CA -0.704 57.585 58.200 0.149 0.000 0.999 251 S CB 1.588 64.997 63.200 0.348 0.000 1.034 251 S HN 0.093 nan 8.310 nan 0.000 0.483 252 I N 4.088 124.190 120.570 -0.781 0.000 2.423 252 I HA -0.023 4.146 4.170 -0.001 0.000 0.254 252 I C 0.978 176.769 176.117 -0.544 0.000 1.151 252 I CA 1.647 62.353 61.300 -0.991 0.000 1.421 252 I CB -0.376 36.823 38.000 -1.336 0.000 1.079 252 I HN 0.753 nan 8.210 nan 0.000 0.431 253 F N 0.711 120.626 119.950 -0.059 0.000 2.699 253 F HA -0.019 4.508 4.527 -0.001 0.000 0.298 253 F C 2.204 178.013 175.800 0.015 0.000 1.154 253 F CA 0.549 58.552 58.000 0.004 0.000 1.457 253 F CB -1.042 38.003 39.000 0.074 0.000 1.106 253 F HN 0.198 nan 8.300 nan 0.000 0.585 254 E N 0.130 120.395 120.200 0.108 0.000 2.338 254 E HA -0.089 4.260 4.350 -0.001 0.000 0.197 254 E C 0.378 176.993 176.600 0.026 0.000 1.007 254 E CA 0.396 56.838 56.400 0.070 0.000 0.849 254 E CB 0.099 29.826 29.700 0.044 0.000 0.774 254 E HN 0.177 nan 8.360 nan 0.000 0.506 255 I N 2.688 123.249 120.570 -0.014 0.000 2.301 255 I HA 0.173 4.342 4.170 -0.001 0.000 0.292 255 I C -2.306 173.817 176.117 0.010 0.000 1.046 255 I CA -3.225 58.059 61.300 -0.027 0.000 1.282 255 I CB 0.024 37.974 38.000 -0.084 0.000 1.409 255 I HN -0.311 nan 8.210 nan 0.000 0.484 256 P HA 0.188 nan 4.420 nan 0.000 0.265 256 P C 0.961 178.271 177.300 0.017 0.000 1.193 256 P CA 0.658 63.772 63.100 0.023 0.000 0.765 256 P CB 0.712 32.420 31.700 0.013 0.000 0.823 257 G N 2.567 111.383 108.800 0.027 0.000 2.234 257 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.235 257 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.235 257 G C 1.208 176.127 174.900 0.031 0.000 0.997 257 G CA 0.397 45.509 45.100 0.020 0.000 0.623 257 G HN 0.659 nan 8.290 nan 0.000 0.514 258 A N 1.145 123.994 122.820 0.050 0.000 2.019 258 A HA 0.081 4.401 4.320 -0.001 0.000 0.219 258 A C 2.100 179.786 177.584 0.169 0.000 1.164 258 A CA 2.252 54.324 52.037 0.058 0.000 0.644 258 A CB -0.394 18.613 19.000 0.012 0.000 0.805 258 A HN 1.001 nan 8.150 nan 0.000 0.449 259 E N 0.732 121.044 120.200 0.187 0.000 2.401 259 E HA -0.206 4.144 4.350 -0.001 0.000 0.199 259 E C 1.048 177.685 176.600 0.061 0.000 1.023 259 E CA 1.451 57.931 56.400 0.133 0.000 0.859 259 E CB -0.402 29.312 29.700 0.023 0.000 0.780 259 E HN 0.781 nan 8.360 nan 0.000 0.523 260 E N 0.305 120.530 120.200 0.041 0.000 2.400 260 E HA 0.012 4.362 4.350 -0.001 0.000 0.195 260 E C 1.605 178.203 176.600 -0.002 0.000 1.012 260 E CA 0.812 57.217 56.400 0.008 0.000 0.875 260 E CB 0.834 30.533 29.700 -0.002 0.000 0.859 260 E HN 0.308 nan 8.360 nan 0.000 0.498 261 V N -3.965 115.954 119.914 0.008 0.000 3.392 261 V HA 0.564 4.683 4.120 -0.001 0.000 0.294 261 V C 0.159 176.239 176.094 -0.022 0.000 1.561 261 V CA -0.162 62.125 62.300 -0.022 0.000 1.056 261 V CB 0.688 32.489 31.823 -0.036 0.000 0.882 261 V HN 0.036 nan 8.190 nan 0.000 0.440 262 A N 2.064 124.901 122.820 0.029 0.000 2.435 262 A HA 0.977 5.297 4.320 -0.001 0.000 0.304 262 A C -0.631 177.027 177.584 0.122 0.000 1.064 262 A CA -0.599 51.442 52.037 0.007 0.000 0.727 262 A CB 2.009 20.931 19.000 -0.129 0.000 1.284 262 A HN 0.727 nan 8.150 nan 0.000 0.415 263 M N 0.155 119.798 119.600 0.072 0.000 2.761 263 M HA 0.866 5.345 4.480 -0.001 0.000 0.305 263 M C -0.592 175.767 176.300 0.099 0.000 1.235 263 M CA -0.514 54.891 55.300 0.175 0.000 0.850 263 M CB 1.941 34.573 32.600 0.054 0.000 1.744 263 M HN 0.699 nan 8.290 nan 0.000 0.480 264 E N 0.177 120.493 120.200 0.194 0.000 2.288 264 E HA 0.575 4.924 4.350 -0.001 0.000 0.268 264 E C -1.780 174.900 176.600 0.132 0.000 0.885 264 E CA -0.585 55.919 56.400 0.173 0.000 0.767 264 E CB 2.633 32.474 29.700 0.234 0.000 1.220 264 E HN 0.805 nan 8.360 nan 0.000 0.427 265 T N 1.406 115.993 114.554 0.056 0.000 2.900 265 T HA 0.824 5.173 4.350 -0.001 0.000 0.295 265 T C -1.711 172.828 174.700 -0.269 0.000 1.044 265 T CA -0.158 61.885 62.100 -0.094 0.000 0.995 265 T CB 1.373 70.216 68.868 -0.041 0.000 1.072 265 T HN 0.609 nan 8.240 nan 0.000 0.473 266 A N 2.047 124.478 122.820 -0.648 0.000 2.594 266 A HA 0.758 5.077 4.320 -0.001 0.000 0.295 266 A C -0.722 176.300 177.584 -0.937 0.000 1.071 266 A CA -0.698 50.821 52.037 -0.863 0.000 0.685 266 A CB 1.749 19.965 19.000 -1.306 0.000 1.285 266 A HN 0.784 nan 8.150 nan 0.000 0.405 267 S N 0.422 115.739 115.700 -0.639 0.000 2.442 267 S HA 0.523 4.992 4.470 -0.001 0.000 0.297 267 S C 0.497 174.889 174.600 -0.347 0.000 1.131 267 S CA -0.470 57.500 58.200 -0.383 0.000 1.092 267 S CB 0.030 63.079 63.200 -0.253 0.000 0.998 267 S HN 0.695 nan 8.310 nan 0.000 0.478 268 F N 3.909 123.725 119.950 -0.224 0.000 2.161 268 F HA -0.104 4.423 4.527 -0.001 0.000 0.300 268 F C 2.610 178.367 175.800 -0.072 0.000 1.089 268 F CA 2.033 60.020 58.000 -0.022 0.000 1.282 268 F CB -0.336 38.751 39.000 0.145 0.000 1.010 268 F HN 0.631 nan 8.300 nan 0.000 0.485 269 S N -0.206 115.553 115.700 0.098 0.000 2.356 269 S HA -0.183 4.286 4.470 -0.001 0.000 0.223 269 S C 1.994 176.533 174.600 -0.101 0.000 1.032 269 S CA 1.163 59.349 58.200 -0.024 0.000 1.005 269 S CB -0.204 62.991 63.200 -0.009 0.000 0.867 269 S HN 0.226 nan 8.310 nan 0.000 0.449 270 K N 0.475 120.807 120.400 -0.113 0.000 2.097 270 K HA -0.010 4.310 4.320 -0.001 0.000 0.206 270 K C 1.768 178.369 176.600 0.003 0.000 1.049 270 K CA 1.206 57.422 56.287 -0.120 0.000 0.933 270 K CB -0.664 31.579 32.500 -0.428 0.000 0.717 270 K HN 0.416 nan 8.250 nan 0.000 0.442 271 Y N 0.984 121.120 120.300 -0.273 0.000 2.220 271 Y HA -0.079 4.470 4.550 -0.001 0.000 0.291 271 Y C 2.360 178.119 175.900 -0.235 0.000 1.129 271 Y CA 1.170 59.099 58.100 -0.284 0.000 1.161 271 Y CB -0.400 37.772 38.460 -0.479 0.000 0.997 271 Y HN 0.066 nan 8.280 nan 0.000 0.522 272 A N -1.161 121.562 122.820 -0.163 0.000 2.072 272 A HA 0.289 4.609 4.320 -0.001 0.000 0.216 272 A C 2.053 179.383 177.584 -0.423 0.000 1.156 272 A CA 1.083 52.886 52.037 -0.390 0.000 0.701 272 A CB -0.980 17.492 19.000 -0.879 0.000 0.816 272 A HN 0.628 nan 8.150 nan 0.000 0.458 273 G N -1.792 106.887 108.800 -0.201 0.000 2.143 273 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.249 273 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.249 273 G C -0.013 175.002 174.900 0.190 0.000 0.981 273 G CA 0.464 45.653 45.100 0.147 0.000 0.665 273 G HN 1.393 nan 8.290 nan 0.000 0.528 274 F N -0.590 119.466 119.950 0.177 0.000 2.596 274 F HA 0.733 5.260 4.527 -0.001 0.000 0.311 274 F C 0.038 175.885 175.800 0.078 0.000 1.116 274 F CA -1.160 56.911 58.000 0.118 0.000 0.957 274 F CB 0.575 39.659 39.000 0.139 0.000 1.250 274 F HN 0.347 nan 8.300 nan 0.000 0.444 275 T N -0.759 113.929 114.554 0.224 0.000 2.869 275 T HA 0.622 4.972 4.350 -0.001 0.000 0.295 275 T C 0.573 175.407 174.700 0.223 0.000 0.987 275 T CA 0.322 62.512 62.100 0.150 0.000 1.109 275 T CB 1.127 70.034 68.868 0.065 0.000 0.932 275 T HN 1.844 nan 8.240 nan 0.000 0.518 276 G N 1.547 110.461 108.800 0.191 0.000 3.675 276 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.206 276 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.206 276 G C -0.163 174.825 174.900 0.147 0.000 1.086 276 G CA -0.215 44.984 45.100 0.165 0.000 0.894 276 G HN 0.919 nan 8.290 nan 0.000 0.412 277 V N 3.199 123.235 119.914 0.203 0.000 2.322 277 V HA 0.410 4.530 4.120 -0.001 0.000 0.258 277 V C 0.605 176.759 176.094 0.099 0.000 1.074 277 V CA -0.270 62.097 62.300 0.111 0.000 0.909 277 V CB 0.679 32.547 31.823 0.075 0.000 1.090 277 V HN 0.300 nan 8.190 nan 0.000 0.486 278 R N 5.041 125.586 120.500 0.075 0.000 2.608 278 R HA 0.440 4.780 4.340 -0.001 0.000 0.277 278 R C -0.986 175.376 176.300 0.102 0.000 1.341 278 R CA -0.240 55.910 56.100 0.084 0.000 1.199 278 R CB 0.305 30.648 30.300 0.071 0.000 1.156 278 R HN 0.395 nan 8.270 nan 0.000 0.558 279 L N 1.147 122.448 121.223 0.130 0.000 2.565 279 L HA 0.598 4.938 4.340 -0.001 0.000 0.261 279 L C -0.872 176.141 176.870 0.239 0.000 0.932 279 L CA -0.231 54.714 54.840 0.175 0.000 0.878 279 L CB 1.996 44.110 42.059 0.091 0.000 1.333 279 L HN 0.607 nan 8.230 nan 0.000 0.409 280 G N 2.352 111.284 108.800 0.221 0.000 2.798 280 G HA2 0.779 4.739 3.960 -0.001 0.000 0.286 280 G HA3 0.779 4.739 3.960 -0.001 0.000 0.286 280 G C -2.229 172.868 174.900 0.329 0.000 1.389 280 G CA -0.376 44.805 45.100 0.135 0.000 0.894 280 G HN 0.764 nan 8.290 nan 0.000 0.488 281 W N -1.340 120.014 121.300 0.090 0.000 3.118 281 W HA 0.779 5.439 4.660 -0.001 0.000 0.328 281 W C -1.199 175.385 176.519 0.107 0.000 1.239 281 W CA -1.252 56.170 57.345 0.128 0.000 1.176 281 W CB 1.106 30.654 29.460 0.147 0.000 1.433 281 W HN 0.587 nan 8.180 nan 0.000 0.562 282 T N 1.953 116.748 114.554 0.402 0.000 2.886 282 T HA 0.542 4.892 4.350 -0.001 0.000 0.292 282 T C -1.393 173.518 174.700 0.352 0.000 1.012 282 T CA -0.624 61.604 62.100 0.213 0.000 0.982 282 T CB 1.744 70.560 68.868 -0.086 0.000 1.018 282 T HN 0.424 nan 8.240 nan 0.000 0.451 283 V N 4.596 124.669 119.914 0.266 0.000 2.370 283 V HA 0.537 4.657 4.120 -0.001 0.000 0.283 283 V C -0.367 175.824 176.094 0.162 0.000 1.023 283 V CA -0.686 61.720 62.300 0.177 0.000 0.857 283 V CB 1.050 32.864 31.823 -0.014 0.000 0.985 283 V HN 0.773 nan 8.190 nan 0.000 0.443 284 I N 7.699 128.366 120.570 0.161 0.000 2.411 284 I HA 0.397 4.566 4.170 -0.001 0.000 0.284 284 I C -2.351 173.780 176.117 0.024 0.000 1.012 284 I CA -1.875 59.477 61.300 0.087 0.000 1.119 284 I CB 2.515 40.523 38.000 0.012 0.000 1.261 284 I HN 0.429 nan 8.210 nan 0.000 0.448 285 P HA 0.214 nan 4.420 nan 0.000 0.276 285 P C 0.038 177.291 177.300 -0.077 0.000 1.252 285 P CA -0.473 62.531 63.100 -0.160 0.000 0.802 285 P CB 1.343 32.904 31.700 -0.232 0.000 1.035 286 K N 0.497 120.845 120.400 -0.087 0.000 2.209 286 K HA -0.098 4.221 4.320 -0.001 0.000 0.204 286 K C 1.529 178.093 176.600 -0.060 0.000 1.048 286 K CA 1.400 57.650 56.287 -0.063 0.000 0.940 286 K CB -0.104 32.356 32.500 -0.066 0.000 0.729 286 K HN 0.409 nan 8.250 nan 0.000 0.451 287 K N 0.618 120.984 120.400 -0.057 0.000 2.458 287 K HA 0.039 4.359 4.320 -0.001 0.000 0.194 287 K C -0.290 176.287 176.600 -0.038 0.000 1.024 287 K CA -0.149 56.113 56.287 -0.042 0.000 1.108 287 K CB 0.224 32.704 32.500 -0.032 0.000 0.846 287 K HN -0.038 nan 8.250 nan 0.000 0.518 288 L N 2.122 123.317 121.223 -0.047 0.000 2.283 288 L HA 0.288 4.628 4.340 -0.001 0.000 0.287 288 L C -1.026 175.784 176.870 -0.100 0.000 1.073 288 L CA -0.003 54.800 54.840 -0.061 0.000 0.822 288 L CB 0.219 42.246 42.059 -0.054 0.000 1.186 288 L HN -0.046 nan 8.230 nan 0.000 0.436 289 L N 4.881 126.053 121.223 -0.085 0.000 2.381 289 L HA 0.465 4.804 4.340 -0.001 0.000 0.268 289 L C -0.699 176.155 176.870 -0.027 0.000 0.997 289 L CA -1.019 53.790 54.840 -0.053 0.000 0.818 289 L CB 1.558 43.623 42.059 0.010 0.000 1.310 289 L HN 0.338 nan 8.230 nan 0.000 0.416 290 Y N 0.192 120.561 120.300 0.117 0.000 2.335 290 Y HA -0.076 4.473 4.550 -0.001 0.000 0.348 290 Y C 1.871 177.817 175.900 0.075 0.000 1.280 290 Y CA 0.521 58.685 58.100 0.108 0.000 1.504 290 Y CB 0.696 39.249 38.460 0.154 0.000 1.366 290 Y HN 0.738 nan 8.280 nan 0.000 0.621 291 S N -0.642 115.208 115.700 0.250 0.000 2.465 291 S HA -0.203 4.266 4.470 -0.001 0.000 0.241 291 S C 0.871 175.538 174.600 0.112 0.000 1.000 291 S CA 1.446 59.723 58.200 0.128 0.000 0.964 291 S CB -0.514 62.735 63.200 0.082 0.000 0.763 291 S HN 0.791 nan 8.310 nan 0.000 0.512 292 D N -0.239 120.250 120.400 0.147 0.000 2.340 292 D HA 0.299 4.938 4.640 -0.001 0.000 0.217 292 D C 1.373 177.766 176.300 0.155 0.000 1.081 292 D CA 0.432 54.505 54.000 0.122 0.000 0.842 292 D CB -0.504 40.355 40.800 0.097 0.000 0.934 292 D HN 0.544 nan 8.370 nan 0.000 0.511 293 G N 0.004 108.906 108.800 0.170 0.000 2.176 293 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.253 293 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.253 293 G C -0.045 174.966 174.900 0.185 0.000 0.979 293 G CA 0.028 45.212 45.100 0.141 0.000 0.641 293 G HN 0.419 nan 8.290 nan 0.000 0.530 294 F N 4.077 124.112 119.950 0.142 0.000 2.495 294 F HA 0.523 5.050 4.527 -0.001 0.000 0.365 294 F C -1.490 174.410 175.800 0.167 0.000 1.090 294 F CA -1.946 56.152 58.000 0.163 0.000 1.235 294 F CB 1.033 40.150 39.000 0.196 0.000 1.119 294 F HN -0.029 nan 8.300 nan 0.000 0.562 295 P HA 0.017 nan 4.420 nan 0.000 0.276 295 P C 0.674 177.922 177.300 -0.086 0.000 1.243 295 P CA 0.037 63.007 63.100 -0.217 0.000 0.768 295 P CB 1.475 33.005 31.700 -0.283 0.000 0.856 296 V N 3.970 123.811 119.914 -0.121 0.000 2.332 296 V HA -0.290 3.829 4.120 -0.001 0.000 0.248 296 V C 2.609 178.704 176.094 0.002 0.000 1.055 296 V CA 2.754 64.965 62.300 -0.148 0.000 1.038 296 V CB -1.566 30.033 31.823 -0.373 0.000 0.651 296 V HN 0.621 nan 8.190 nan 0.000 0.450 297 A N -0.766 122.038 122.820 -0.027 0.000 1.978 297 A HA -0.277 4.043 4.320 -0.001 0.000 0.220 297 A C 2.338 179.973 177.584 0.084 0.000 1.170 297 A CA 2.057 54.105 52.037 0.018 0.000 0.636 297 A CB -0.460 18.645 19.000 0.175 0.000 0.810 297 A HN 0.525 nan 8.150 nan 0.000 0.448 298 K N -0.839 119.609 120.400 0.080 0.000 2.097 298 K HA -0.126 4.193 4.320 -0.001 0.000 0.205 298 K C 1.215 177.978 176.600 0.273 0.000 1.050 298 K CA 1.313 57.678 56.287 0.130 0.000 0.938 298 K CB -0.124 32.328 32.500 -0.081 0.000 0.718 298 K HN 0.375 nan 8.250 nan 0.000 0.442 299 D N -0.013 120.620 120.400 0.389 0.000 2.183 299 D HA -0.118 4.522 4.640 -0.001 0.000 0.203 299 D C 1.544 177.933 176.300 0.147 0.000 0.969 299 D CA 0.622 54.806 54.000 0.307 0.000 0.842 299 D CB -0.079 40.944 40.800 0.371 0.000 0.957 299 D HN 0.039 nan 8.370 nan 0.000 0.484 300 F N 1.750 121.633 119.950 -0.110 0.000 2.102 300 F HA -0.179 4.348 4.527 -0.001 0.000 0.298 300 F C 2.099 177.755 175.800 -0.241 0.000 1.105 300 F CA 1.257 59.084 58.000 -0.288 0.000 1.239 300 F CB -0.496 38.156 39.000 -0.580 0.000 0.991 300 F HN -0.125 nan 8.300 nan 0.000 0.474 301 N N 0.135 118.757 118.700 -0.130 0.000 2.104 301 N HA -0.259 4.480 4.740 -0.001 0.000 0.190 301 N C 1.996 177.496 175.510 -0.017 0.000 1.024 301 N CA 1.478 54.530 53.050 0.005 0.000 0.853 301 N CB -0.240 38.387 38.487 0.234 0.000 1.008 301 N HN 0.076 nan 8.380 nan 0.000 0.424 302 R N 0.347 120.859 120.500 0.021 0.000 2.120 302 R HA 0.067 4.407 4.340 -0.001 0.000 0.234 302 R C 1.844 178.125 176.300 -0.032 0.000 1.123 302 R CA 0.962 57.079 56.100 0.028 0.000 0.975 302 R CB -0.565 29.779 30.300 0.073 0.000 0.866 302 R HN 0.302 nan 8.270 nan 0.000 0.446 303 I N 0.915 121.422 120.570 -0.106 0.000 2.202 303 I HA -0.207 3.962 4.170 -0.001 0.000 0.242 303 I C 2.009 178.013 176.117 -0.188 0.000 1.091 303 I CA 1.283 62.491 61.300 -0.154 0.000 1.368 303 I CB -0.802 37.068 38.000 -0.216 0.000 1.058 303 I HN 0.242 nan 8.210 nan 0.000 0.410 304 I N -1.265 119.118 120.570 -0.312 0.000 2.916 304 I HA -0.137 4.032 4.170 -0.001 0.000 0.267 304 I C 1.911 178.030 176.117 0.004 0.000 1.263 304 I CA 0.976 62.150 61.300 -0.211 0.000 1.471 304 I CB -1.253 36.543 38.000 -0.339 0.000 1.089 304 I HN 0.029 nan 8.210 nan 0.000 0.468 305 C N 0.733 120.031 119.300 -0.003 0.000 2.480 305 C HA 0.298 4.758 4.460 -0.001 0.000 0.317 305 C C 1.917 176.929 174.990 0.037 0.000 1.300 305 C CA 0.478 59.522 59.018 0.043 0.000 1.706 305 C CB -2.027 25.741 27.740 0.046 0.000 1.840 305 C HN 0.625 nan 8.230 nan 0.000 0.596 306 T N -1.772 112.798 114.554 0.027 0.000 3.177 306 T HA 0.027 4.377 4.350 -0.001 0.000 0.262 306 T C 1.664 176.388 174.700 0.040 0.000 0.959 306 T CA 0.481 62.597 62.100 0.027 0.000 0.996 306 T CB -0.029 68.845 68.868 0.010 0.000 1.185 306 T HN 0.497 nan 8.240 nan 0.000 0.486 307 C N 0.982 120.313 119.300 0.053 0.000 2.631 307 C HA 0.400 4.860 4.460 -0.001 0.000 0.283 307 C C 1.309 176.389 174.990 0.150 0.000 1.295 307 C CA -0.499 58.574 59.018 0.092 0.000 1.697 307 C CB -0.851 26.949 27.740 0.099 0.000 2.128 307 C HN 0.402 nan 8.230 nan 0.000 0.503 308 F N 1.689 121.617 119.950 -0.037 0.000 2.390 308 F HA 0.249 4.776 4.527 -0.000 0.000 0.307 308 F C 1.308 177.104 175.800 -0.006 0.000 1.227 308 F CA 0.130 58.115 58.000 -0.025 0.000 1.179 308 F CB 0.398 39.378 39.000 -0.033 0.000 1.280 308 F HN 0.122 nan 8.300 nan 0.000 0.548 309 N N -0.626 117.853 118.700 -0.368 0.000 2.324 309 N HA 0.272 5.011 4.740 -0.001 0.000 0.235 309 N C -0.358 175.060 175.510 -0.154 0.000 1.162 309 N CA 0.732 53.662 53.050 -0.199 0.000 0.834 309 N CB 1.274 39.592 38.487 -0.283 0.000 1.354 309 N HN 0.669 nan 8.380 nan 0.000 0.471 310 G N -0.116 108.444 108.800 -0.400 0.000 2.358 310 G HA2 0.465 4.425 3.960 -0.001 0.000 0.303 310 G HA3 0.465 4.425 3.960 -0.001 0.000 0.303 310 G C -1.609 173.230 174.900 -0.102 0.000 1.537 310 G CA -0.290 44.783 45.100 -0.045 0.000 0.928 310 G HN 0.241 nan 8.290 nan 0.000 0.656 311 A N 0.673 123.649 122.820 0.259 0.000 2.388 311 A HA 0.726 5.046 4.320 -0.001 0.000 0.257 311 A C 1.277 178.883 177.584 0.036 0.000 1.095 311 A CA 0.730 52.883 52.037 0.194 0.000 0.791 311 A CB 0.222 19.366 19.000 0.240 0.000 1.029 311 A HN 2.424 nan 8.150 nan 0.000 0.489 312 S N 2.077 117.776 115.700 -0.002 0.000 2.558 312 S HA -0.054 4.415 4.470 -0.001 0.000 0.287 312 S C 0.791 175.374 174.600 -0.027 0.000 1.321 312 S CA 0.455 58.632 58.200 -0.038 0.000 1.048 312 S CB -0.062 63.116 63.200 -0.036 0.000 0.844 312 S HN 0.712 nan 8.310 nan 0.000 0.512 313 N N 2.746 121.420 118.700 -0.043 0.000 2.205 313 N HA -0.078 4.661 4.740 -0.001 0.000 0.186 313 N C 1.385 176.877 175.510 -0.031 0.000 1.015 313 N CA 1.696 54.722 53.050 -0.040 0.000 0.862 313 N CB -0.575 37.877 38.487 -0.058 0.000 0.986 313 N HN 0.671 nan 8.380 nan 0.000 0.429 314 I N -0.208 120.344 120.570 -0.029 0.000 2.333 314 I HA -0.127 4.042 4.170 -0.001 0.000 0.246 314 I C 1.957 178.059 176.117 -0.025 0.000 1.106 314 I CA 0.724 62.009 61.300 -0.026 0.000 1.411 314 I CB -0.139 37.846 38.000 -0.026 0.000 1.082 314 I HN 0.089 nan 8.210 nan 0.000 0.420 315 S N 0.136 115.823 115.700 -0.022 0.000 2.368 315 S HA -0.196 4.274 4.470 -0.001 0.000 0.225 315 S C 1.970 176.527 174.600 -0.072 0.000 1.030 315 S CA 1.214 59.396 58.200 -0.031 0.000 0.999 315 S CB -0.184 63.012 63.200 -0.007 0.000 0.844 315 S HN 0.424 nan 8.310 nan 0.000 0.459 316 Q N 0.566 120.336 119.800 -0.050 0.000 2.084 316 Q HA -0.102 4.237 4.340 -0.001 0.000 0.202 316 Q C 2.513 178.478 176.000 -0.058 0.000 0.978 316 Q CA 1.423 57.192 55.803 -0.057 0.000 0.844 316 Q CB -0.371 28.355 28.738 -0.020 0.000 0.898 316 Q HN 0.599 nan 8.270 nan 0.000 0.426 317 A N 1.050 123.847 122.820 -0.038 0.000 1.902 317 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 317 A C 2.297 179.868 177.584 -0.022 0.000 1.181 317 A CA 1.736 53.759 52.037 -0.024 0.000 0.623 317 A CB -1.127 17.864 19.000 -0.016 0.000 0.818 317 A HN 0.483 nan 8.150 nan 0.000 0.443 318 G N -0.611 108.170 108.800 -0.032 0.000 2.421 318 G HA2 0.022 3.982 3.960 -0.001 0.000 0.216 318 G HA3 0.022 3.982 3.960 -0.001 0.000 0.216 318 G C 1.766 176.647 174.900 -0.031 0.000 1.171 318 G CA 1.451 46.545 45.100 -0.009 0.000 0.775 318 G HN 0.794 nan 8.290 nan 0.000 0.543 319 A N 0.460 123.163 122.820 -0.196 0.000 1.877 319 A HA 0.067 4.387 4.320 -0.001 0.000 0.216 319 A C 2.345 179.901 177.584 -0.047 0.000 1.186 319 A CA 1.370 53.151 52.037 -0.427 0.000 0.620 319 A CB -0.471 18.055 19.000 -0.790 0.000 0.822 319 A HN 0.291 nan 8.150 nan 0.000 0.443 320 L N -0.383 120.824 121.223 -0.026 0.000 2.079 320 L HA -0.157 4.183 4.340 -0.001 0.000 0.210 320 L C 2.875 179.781 176.870 0.061 0.000 1.081 320 L CA 1.974 56.831 54.840 0.029 0.000 0.752 320 L CB -1.368 40.695 42.059 0.006 0.000 0.896 320 L HN 0.440 nan 8.230 nan 0.000 0.433 321 A N -1.994 120.862 122.820 0.060 0.000 1.968 321 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 321 A C 2.448 180.116 177.584 0.140 0.000 1.169 321 A CA 1.422 53.507 52.037 0.079 0.000 0.638 321 A CB -0.997 18.036 19.000 0.056 0.000 0.812 321 A HN 0.538 nan 8.150 nan 0.000 0.446 322 C N -0.585 118.852 119.300 0.228 0.000 2.435 322 C HA 0.059 4.518 4.460 -0.001 0.000 0.279 322 C C 1.475 176.628 174.990 0.272 0.000 1.321 322 C CA 0.158 59.384 59.018 0.347 0.000 1.752 322 C CB -1.311 26.804 27.740 0.625 0.000 1.959 322 C HN 0.509 nan 8.230 nan 0.000 0.500 323 L N 2.275 123.628 121.223 0.218 0.000 2.796 323 L HA 0.211 4.550 4.340 -0.001 0.000 0.235 323 L C 0.562 177.457 176.870 0.041 0.000 1.344 323 L CA 0.214 55.117 54.840 0.105 0.000 1.245 323 L CB -1.200 40.903 42.059 0.073 0.000 1.556 323 L HN 0.502 nan 8.230 nan 0.000 0.423 324 T N -4.987 109.601 114.554 0.057 0.000 2.841 324 T HA 0.432 4.781 4.350 -0.001 0.000 0.296 324 T C -2.383 172.337 174.700 0.034 0.000 1.166 324 T CA -1.636 60.484 62.100 0.032 0.000 1.007 324 T CB 2.265 71.158 68.868 0.041 0.000 1.253 324 T HN -0.249 nan 8.240 nan 0.000 0.511 325 P HA -0.066 nan 4.420 nan 0.000 0.215 325 P C 1.363 178.685 177.300 0.037 0.000 1.153 325 P CA 1.157 64.268 63.100 0.018 0.000 0.853 325 P CB 0.162 31.867 31.700 0.007 0.000 0.788 326 E N -0.619 119.605 120.200 0.040 0.000 2.106 326 E HA -0.107 4.242 4.350 -0.001 0.000 0.192 326 E C 2.112 178.759 176.600 0.078 0.000 0.984 326 E CA 1.318 57.747 56.400 0.048 0.000 0.806 326 E CB -0.851 28.871 29.700 0.037 0.000 0.750 326 E HN 0.137 nan 8.360 nan 0.000 0.458 327 G N 0.814 109.673 108.800 0.099 0.000 2.403 327 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.216 327 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.216 327 G C 1.530 176.549 174.900 0.197 0.000 1.154 327 G CA 0.343 45.538 45.100 0.160 0.000 0.784 327 G HN 0.188 nan 8.290 nan 0.000 0.538 328 L N 0.073 121.387 121.223 0.151 0.000 2.109 328 L HA 0.020 4.359 4.340 -0.001 0.000 0.207 328 L C 2.714 179.678 176.870 0.157 0.000 1.086 328 L CA 1.218 56.151 54.840 0.155 0.000 0.760 328 L CB -0.284 41.827 42.059 0.087 0.000 0.910 328 L HN 0.346 nan 8.230 nan 0.000 0.437 329 E N 0.632 120.901 120.200 0.115 0.000 2.058 329 E HA -0.266 4.083 4.350 -0.001 0.000 0.194 329 E C 2.203 178.900 176.600 0.161 0.000 0.997 329 E CA 1.356 57.825 56.400 0.115 0.000 0.801 329 E CB 0.018 29.760 29.700 0.069 0.000 0.746 329 E HN 0.450 nan 8.360 nan 0.000 0.450 330 A N 0.965 123.875 122.820 0.151 0.000 1.877 330 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 330 A C 2.240 179.960 177.584 0.227 0.000 1.186 330 A CA 1.782 53.909 52.037 0.150 0.000 0.620 330 A CB -0.548 18.522 19.000 0.117 0.000 0.822 330 A HN 0.313 nan 8.150 nan 0.000 0.443 331 M N -1.564 118.216 119.600 0.300 0.000 2.080 331 M HA -0.188 4.292 4.480 -0.001 0.000 0.260 331 M C 2.330 178.742 176.300 0.188 0.000 1.068 331 M CA 1.913 57.399 55.300 0.309 0.000 1.109 331 M CB -0.728 32.044 32.600 0.286 0.000 1.342 331 M HN 0.631 nan 8.290 nan 0.000 0.405 332 H N 0.798 119.925 119.070 0.096 0.000 2.353 332 H HA -0.146 4.409 4.556 -0.001 0.000 0.300 332 H C 2.112 177.474 175.328 0.056 0.000 1.090 332 H CA 1.744 57.821 56.048 0.049 0.000 1.327 332 H CB 0.023 29.812 29.762 0.044 0.000 1.383 332 H HN 0.328 nan 8.280 nan 0.000 0.508 333 K N 0.422 120.896 120.400 0.123 0.000 2.026 333 K HA -0.095 4.225 4.320 -0.001 0.000 0.208 333 K C 2.222 178.843 176.600 0.034 0.000 1.048 333 K CA 1.428 57.757 56.287 0.070 0.000 0.929 333 K CB 0.008 32.562 32.500 0.090 0.000 0.713 333 K HN 0.098 nan 8.250 nan 0.000 0.439 334 V N 1.800 121.753 119.914 0.066 0.000 2.295 334 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 334 V C 2.338 178.478 176.094 0.076 0.000 1.049 334 V CA 1.720 64.052 62.300 0.054 0.000 1.024 334 V CB -0.329 31.627 31.823 0.222 0.000 0.648 334 V HN 0.327 nan 8.190 nan 0.000 0.447 335 I N 0.755 121.357 120.570 0.053 0.000 2.208 335 I HA -0.194 3.975 4.170 -0.001 0.000 0.245 335 I C 2.569 178.684 176.117 -0.003 0.000 1.097 335 I CA 1.756 63.036 61.300 -0.033 0.000 1.363 335 I CB -0.899 36.862 38.000 -0.398 0.000 1.051 335 I HN 0.426 nan 8.210 nan 0.000 0.413 336 G N 0.499 109.236 108.800 -0.105 0.000 2.422 336 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.218 336 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.218 336 G C 1.585 176.508 174.900 0.039 0.000 1.146 336 G CA 0.424 45.480 45.100 -0.074 0.000 0.769 336 G HN 0.352 nan 8.290 nan 0.000 0.547 337 F N 0.737 120.631 119.950 -0.094 0.000 2.069 337 F HA -0.094 4.432 4.527 -0.001 0.000 0.298 337 F C 2.450 178.236 175.800 -0.023 0.000 1.113 337 F CA 1.262 59.195 58.000 -0.111 0.000 1.214 337 F CB -0.252 38.599 39.000 -0.247 0.000 0.978 337 F HN 0.161 nan 8.300 nan 0.000 0.474 338 Y N 1.022 121.440 120.300 0.196 0.000 2.274 338 Y HA -0.149 4.401 4.550 -0.001 0.000 0.290 338 Y C 2.340 178.238 175.900 -0.003 0.000 1.145 338 Y CA 1.392 59.564 58.100 0.120 0.000 1.203 338 Y CB -1.053 37.680 38.460 0.455 0.000 0.984 338 Y HN 0.108 nan 8.280 nan 0.000 0.533 339 K N -0.337 120.176 120.400 0.187 0.000 2.097 339 K HA -0.204 4.115 4.320 -0.001 0.000 0.206 339 K C 1.992 178.582 176.600 -0.018 0.000 1.049 339 K CA 1.476 57.808 56.287 0.074 0.000 0.933 339 K CB -0.073 32.469 32.500 0.071 0.000 0.717 339 K HN 0.105 nan 8.250 nan 0.000 0.442 340 E N 1.545 121.702 120.200 -0.071 0.000 2.072 340 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 340 E C 1.515 178.036 176.600 -0.132 0.000 0.985 340 E CA 1.308 57.647 56.400 -0.102 0.000 0.801 340 E CB -0.176 29.453 29.700 -0.119 0.000 0.750 340 E HN 0.150 nan 8.360 nan 0.000 0.452 341 N N -0.218 118.348 118.700 -0.222 0.000 2.060 341 N HA -0.157 4.583 4.740 -0.001 0.000 0.195 341 N C 1.729 177.206 175.510 -0.055 0.000 1.028 341 N CA 2.099 55.059 53.050 -0.150 0.000 0.861 341 N CB -0.951 37.461 38.487 -0.125 0.000 1.029 341 N HN 0.234 nan 8.380 nan 0.000 0.428 342 T N 1.510 116.030 114.554 -0.057 0.000 2.684 342 T HA -0.082 4.267 4.350 -0.001 0.000 0.267 342 T C 1.530 176.217 174.700 -0.022 0.000 1.036 342 T CA 1.167 63.231 62.100 -0.060 0.000 1.148 342 T CB -0.300 68.499 68.868 -0.115 0.000 0.863 342 T HN 0.274 nan 8.240 nan 0.000 0.436 343 N N 1.181 119.867 118.700 -0.024 0.000 2.166 343 N HA 0.017 4.756 4.740 -0.001 0.000 0.186 343 N C 1.887 177.404 175.510 0.012 0.000 1.019 343 N CA 0.860 53.907 53.050 -0.006 0.000 0.856 343 N CB -0.478 38.002 38.487 -0.012 0.000 0.993 343 N HN 0.408 nan 8.380 nan 0.000 0.426 344 I N 0.910 121.484 120.570 0.006 0.000 2.208 344 I HA -0.238 3.931 4.170 -0.001 0.000 0.245 344 I C 1.992 178.148 176.117 0.065 0.000 1.097 344 I CA 0.977 62.290 61.300 0.022 0.000 1.363 344 I CB -0.216 37.788 38.000 0.006 0.000 1.051 344 I HN 0.041 nan 8.210 nan 0.000 0.413 345 I N 0.545 121.174 120.570 0.099 0.000 2.202 345 I HA -0.282 3.887 4.170 -0.001 0.000 0.242 345 I C 2.470 178.729 176.117 0.237 0.000 1.091 345 I CA 1.556 62.983 61.300 0.211 0.000 1.368 345 I CB -0.294 37.844 38.000 0.229 0.000 1.058 345 I HN 0.117 nan 8.210 nan 0.000 0.410 346 I N 0.852 121.501 120.570 0.133 0.000 2.118 346 I HA -0.352 3.818 4.170 -0.001 0.000 0.241 346 I C 2.122 178.301 176.117 0.104 0.000 1.070 346 I CA 1.580 62.945 61.300 0.107 0.000 1.327 346 I CB -0.554 37.468 38.000 0.037 0.000 1.034 346 I HN 0.247 nan 8.210 nan 0.000 0.405 347 D N 0.357 120.796 120.400 0.065 0.000 2.117 347 D HA -0.144 4.495 4.640 -0.001 0.000 0.197 347 D C 2.225 178.544 176.300 0.033 0.000 0.987 347 D CA 1.652 55.675 54.000 0.038 0.000 0.829 347 D CB -0.554 40.259 40.800 0.021 0.000 0.961 347 D HN 0.286 nan 8.370 nan 0.000 0.460 348 T N 0.534 115.103 114.554 0.025 0.000 2.580 348 T HA -0.193 4.156 4.350 -0.001 0.000 0.265 348 T C 1.848 176.479 174.700 -0.115 0.000 1.063 348 T CA 1.174 63.237 62.100 -0.062 0.000 1.170 348 T CB -0.652 68.156 68.868 -0.099 0.000 0.863 348 T HN 0.093 nan 8.240 nan 0.000 0.418 349 F N 1.421 121.379 119.950 0.013 0.000 2.234 349 F HA -0.068 4.458 4.527 -0.001 0.000 0.299 349 F C 2.844 178.663 175.800 0.031 0.000 1.087 349 F CA 0.907 58.889 58.000 -0.030 0.000 1.340 349 F CB -1.079 37.815 39.000 -0.178 0.000 1.031 349 F HN 0.131 nan 8.300 nan 0.000 0.500 350 T N -0.809 113.837 114.554 0.153 0.000 2.737 350 T HA -0.184 4.165 4.350 -0.001 0.000 0.265 350 T C 2.303 177.024 174.700 0.036 0.000 1.038 350 T CA 1.693 63.833 62.100 0.066 0.000 1.144 350 T CB -0.597 68.287 68.868 0.026 0.000 0.866 350 T HN 0.390 nan 8.240 nan 0.000 0.434 351 S N 1.782 117.497 115.700 0.024 0.000 2.419 351 S HA 0.006 4.475 4.470 -0.001 0.000 0.233 351 S C 1.894 176.493 174.600 -0.003 0.000 1.016 351 S CA 0.797 58.998 58.200 0.000 0.000 0.974 351 S CB -0.790 62.406 63.200 -0.008 0.000 0.786 351 S HN 0.455 nan 8.310 nan 0.000 0.492 352 L N 1.043 122.286 121.223 0.035 0.000 2.610 352 L HA 0.273 4.612 4.340 -0.001 0.000 0.232 352 L C 1.859 178.691 176.870 -0.063 0.000 1.149 352 L CA 0.405 55.276 54.840 0.051 0.000 0.872 352 L CB -0.697 41.485 42.059 0.204 0.000 0.992 352 L HN 0.620 nan 8.230 nan 0.000 0.447 353 G N -1.334 107.424 108.800 -0.070 0.000 2.132 353 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.234 353 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.234 353 G C -0.070 174.630 174.900 -0.333 0.000 0.989 353 G CA -0.455 44.530 45.100 -0.191 0.000 0.676 353 G HN 0.242 nan 8.290 nan 0.000 0.522 354 Y N 1.127 121.326 120.300 -0.168 0.000 2.304 354 Y HA 0.424 4.973 4.550 -0.001 0.000 0.327 354 Y C 0.807 176.574 175.900 -0.221 0.000 1.209 354 Y CA -0.617 57.328 58.100 -0.259 0.000 1.299 354 Y CB 0.672 38.917 38.460 -0.358 0.000 1.249 354 Y HN 0.051 nan 8.280 nan 0.000 0.519 355 D N 2.276 122.622 120.400 -0.089 0.000 2.371 355 D HA 0.198 4.838 4.640 -0.001 0.000 0.256 355 D C -0.818 175.294 176.300 -0.313 0.000 1.193 355 D CA 0.320 54.201 54.000 -0.199 0.000 0.881 355 D CB 0.930 41.701 40.800 -0.049 0.000 1.143 355 D HN 0.128 nan 8.370 nan 0.000 0.473 356 V N 3.886 123.524 119.914 -0.458 0.000 2.540 356 V HA 0.354 4.473 4.120 -0.001 0.000 0.302 356 V C -0.658 175.134 176.094 -0.504 0.000 1.035 356 V CA -0.787 61.310 62.300 -0.338 0.000 0.873 356 V CB 0.956 32.697 31.823 -0.138 0.000 0.992 356 V HN 0.348 nan 8.190 nan 0.000 0.428 357 Y N 1.747 122.145 120.300 0.162 0.000 2.598 357 Y HA 0.859 5.408 4.550 -0.001 0.000 0.340 357 Y C 0.890 176.833 175.900 0.073 0.000 1.038 357 Y CA 0.235 58.449 58.100 0.190 0.000 1.100 357 Y CB 1.878 40.561 38.460 0.372 0.000 1.281 357 Y HN 0.996 nan 8.280 nan 0.000 0.488 358 G N 0.219 109.104 108.800 0.143 0.000 2.642 358 G HA2 0.240 4.199 3.960 -0.001 0.000 0.231 358 G HA3 0.240 4.199 3.960 -0.001 0.000 0.231 358 G C 0.785 175.643 174.900 -0.070 0.000 1.338 358 G CA 0.221 45.299 45.100 -0.035 0.000 0.883 358 G HN 1.909 nan 8.290 nan 0.000 0.570 359 G N -1.529 107.157 108.800 -0.190 0.000 2.267 359 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.257 359 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.257 359 G C 1.310 176.128 174.900 -0.137 0.000 0.998 359 G CA 1.838 46.833 45.100 -0.176 0.000 0.620 359 G HN 1.720 nan 8.290 nan 0.000 0.529 360 K N 0.584 120.923 120.400 -0.102 0.000 2.128 360 K HA 0.177 4.497 4.320 -0.001 0.000 0.202 360 K C 1.590 178.156 176.600 -0.056 0.000 1.050 360 K CA 1.539 57.794 56.287 -0.053 0.000 0.966 360 K CB -0.088 32.402 32.500 -0.016 0.000 0.759 360 K HN 0.324 nan 8.250 nan 0.000 0.454 361 N N -0.113 118.528 118.700 -0.099 0.000 2.235 361 N HA 0.271 5.011 4.740 -0.001 0.000 0.231 361 N C -1.219 174.198 175.510 -0.154 0.000 1.177 361 N CA 0.364 53.372 53.050 -0.070 0.000 0.874 361 N CB 1.585 40.049 38.487 -0.039 0.000 1.097 361 N HN 0.191 nan 8.380 nan 0.000 0.518 362 A N 0.716 123.309 122.820 -0.378 0.000 2.608 362 A HA 0.486 4.806 4.320 -0.001 0.000 0.292 362 A C -2.763 174.158 177.584 -1.104 0.000 1.066 362 A CA -0.836 50.671 52.037 -0.884 0.000 0.676 362 A CB 1.496 19.743 19.000 -1.256 0.000 1.277 362 A HN -0.163 nan 8.150 nan 0.000 0.413 363 P HA 0.339 nan 4.420 nan 0.000 0.228 363 P C -1.251 175.495 177.300 -0.924 0.000 1.764 363 P CA 0.413 62.866 63.100 -1.079 0.000 0.929 363 P CB -1.034 29.898 31.700 -1.279 0.000 1.675 364 Y N -2.202 117.776 120.300 -0.538 0.000 2.656 364 Y HA 0.627 5.176 4.550 -0.001 0.000 0.334 364 Y C -0.831 174.917 175.900 -0.253 0.000 1.179 364 Y CA -2.119 55.750 58.100 -0.386 0.000 1.050 364 Y CB 0.711 38.923 38.460 -0.413 0.000 1.308 364 Y HN -0.127 nan 8.280 nan 0.000 0.456 365 V N -1.714 118.236 119.914 0.060 0.000 2.864 365 V HA 0.601 4.721 4.120 -0.001 0.000 0.314 365 V C -1.553 174.635 176.094 0.157 0.000 1.073 365 V CA -1.039 61.292 62.300 0.052 0.000 0.956 365 V CB 2.611 34.427 31.823 -0.012 0.000 1.023 365 V HN 1.087 nan 8.190 nan 0.000 0.435 366 W N 4.095 125.348 121.300 -0.079 0.000 2.393 366 W HA 0.719 5.379 4.660 -0.001 0.000 0.315 366 W C -1.884 174.704 176.519 0.115 0.000 1.009 366 W CA -0.750 56.572 57.345 -0.038 0.000 1.313 366 W CB 1.947 31.331 29.460 -0.126 0.000 1.269 366 W HN 0.624 nan 8.180 nan 0.000 0.420 367 V N 5.784 125.624 119.914 -0.123 0.000 2.398 367 V HA 0.161 4.281 4.120 -0.001 0.000 0.286 367 V C 0.299 176.240 176.094 -0.255 0.000 1.026 367 V CA -0.625 61.495 62.300 -0.300 0.000 0.868 367 V CB 1.381 32.731 31.823 -0.788 0.000 0.982 367 V HN 0.433 nan 8.190 nan 0.000 0.443 368 H N 4.728 123.570 119.070 -0.380 0.000 2.690 368 H HA 0.328 4.884 4.556 -0.001 0.000 0.314 368 H C -1.448 173.536 175.328 -0.573 0.000 1.069 368 H CA -0.292 55.352 56.048 -0.673 0.000 1.436 368 H CB 0.623 30.061 29.762 -0.540 0.000 1.462 368 H HN 0.531 nan 8.280 nan 0.000 0.511 369 F N 7.319 126.753 119.950 -0.859 0.000 2.363 369 F HA 0.236 4.762 4.527 -0.001 0.000 0.366 369 F C -1.963 173.378 175.800 -0.764 0.000 1.083 369 F CA -2.121 55.524 58.000 -0.593 0.000 1.176 369 F CB 1.052 39.817 39.000 -0.393 0.000 1.432 369 F HN 0.468 nan 8.300 nan 0.000 0.482 370 P HA 0.012 nan 4.420 nan 0.000 0.271 370 P C 0.014 177.195 177.300 -0.198 0.000 1.218 370 P CA 0.127 62.918 63.100 -0.514 0.000 0.780 370 P CB 0.761 32.291 31.700 -0.284 0.000 0.901 371 N N -0.012 118.621 118.700 -0.111 0.000 2.708 371 N HA -0.209 4.530 4.740 -0.001 0.000 0.249 371 N C -1.006 174.485 175.510 -0.032 0.000 1.097 371 N CA 1.279 54.300 53.050 -0.048 0.000 0.710 371 N CB -1.048 37.418 38.487 -0.034 0.000 1.032 371 N HN 0.566 nan 8.380 nan 0.000 0.551 372 Q N -1.552 118.222 119.800 -0.043 0.000 2.377 372 Q HA 0.451 4.791 4.340 -0.001 0.000 0.279 372 Q C -0.611 175.374 176.000 -0.025 0.000 1.049 372 Q CA -0.848 54.945 55.803 -0.017 0.000 0.825 372 Q CB 1.578 30.316 28.738 -0.001 0.000 1.401 372 Q HN 0.184 nan 8.270 nan 0.000 0.404 373 S N 0.294 115.996 115.700 0.004 0.000 2.549 373 S HA 0.093 4.562 4.470 -0.001 0.000 0.279 373 S C 0.982 175.575 174.600 -0.012 0.000 1.321 373 S CA 0.227 58.444 58.200 0.028 0.000 1.054 373 S CB 0.887 64.135 63.200 0.080 0.000 0.899 373 S HN 0.760 nan 8.310 nan 0.000 0.497 374 S N 3.497 119.175 115.700 -0.036 0.000 2.402 374 S HA -0.096 4.374 4.470 -0.001 0.000 0.229 374 S C 1.372 175.878 174.600 -0.155 0.000 1.021 374 S CA 0.519 58.626 58.200 -0.154 0.000 0.974 374 S CB -0.929 62.163 63.200 -0.180 0.000 0.800 374 S HN 0.903 nan 8.310 nan 0.000 0.484 375 W N 2.344 123.632 121.300 -0.020 0.000 2.363 375 W HA -0.013 4.646 4.660 -0.001 0.000 0.296 375 W C 1.969 178.534 176.519 0.077 0.000 1.212 375 W CA 0.858 58.209 57.345 0.010 0.000 1.260 375 W CB -0.246 29.193 29.460 -0.035 0.000 1.131 375 W HN 0.289 nan 8.180 nan 0.000 0.530 376 D N -0.495 120.038 120.400 0.223 0.000 2.144 376 D HA -0.141 4.498 4.640 -0.001 0.000 0.200 376 D C 2.274 178.603 176.300 0.049 0.000 0.978 376 D CA 1.244 55.324 54.000 0.132 0.000 0.833 376 D CB -0.700 40.145 40.800 0.076 0.000 0.961 376 D HN -0.010 nan 8.370 nan 0.000 0.470 377 V N 0.942 120.820 119.914 -0.061 0.000 2.358 377 V HA -0.209 3.910 4.120 -0.001 0.000 0.246 377 V C 2.142 178.133 176.094 -0.172 0.000 1.047 377 V CA 1.210 63.368 62.300 -0.238 0.000 1.035 377 V CB -0.590 30.849 31.823 -0.641 0.000 0.658 377 V HN 0.105 nan 8.190 nan 0.000 0.452 378 F N 1.846 121.661 119.950 -0.226 0.000 2.065 378 F HA -0.242 4.284 4.527 -0.001 0.000 0.298 378 F C 2.299 178.076 175.800 -0.038 0.000 1.112 378 F CA 1.869 59.775 58.000 -0.156 0.000 1.212 378 F CB -0.664 38.224 39.000 -0.186 0.000 0.975 378 F HN 0.072 nan 8.300 nan 0.000 0.476 379 A N -0.095 122.802 122.820 0.129 0.000 1.908 379 A HA -0.272 4.048 4.320 -0.001 0.000 0.218 379 A C 2.272 179.795 177.584 -0.101 0.000 1.181 379 A CA 1.948 54.008 52.037 0.038 0.000 0.627 379 A CB -1.154 17.976 19.000 0.216 0.000 0.818 379 A HN 0.648 nan 8.150 nan 0.000 0.445 380 E N -0.220 119.940 120.200 -0.066 0.000 2.047 380 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 380 E C 1.917 178.442 176.600 -0.125 0.000 0.987 380 E CA 1.282 57.645 56.400 -0.063 0.000 0.799 380 E CB -0.237 29.454 29.700 -0.014 0.000 0.752 380 E HN 0.661 nan 8.360 nan 0.000 0.449 381 I N 0.860 121.337 120.570 -0.154 0.000 2.208 381 I HA -0.260 3.910 4.170 -0.001 0.000 0.245 381 I C 2.564 178.536 176.117 -0.242 0.000 1.097 381 I CA 0.549 61.767 61.300 -0.138 0.000 1.363 381 I CB -0.253 37.706 38.000 -0.069 0.000 1.051 381 I HN 0.264 nan 8.210 nan 0.000 0.413 382 L N 1.148 122.124 121.223 -0.412 0.000 2.027 382 L HA -0.192 4.148 4.340 -0.001 0.000 0.206 382 L C 2.424 179.034 176.870 -0.433 0.000 1.074 382 L CA 1.969 56.501 54.840 -0.514 0.000 0.745 382 L CB -0.690 40.931 42.059 -0.729 0.000 0.898 382 L HN 0.171 nan 8.230 nan 0.000 0.433 383 E N 0.024 120.105 120.200 -0.198 0.000 2.051 383 E HA -0.240 4.110 4.350 -0.001 0.000 0.192 383 E C 2.134 178.632 176.600 -0.169 0.000 0.991 383 E CA 1.898 58.319 56.400 0.035 0.000 0.799 383 E CB -0.110 29.636 29.700 0.076 0.000 0.748 383 E HN 0.519 nan 8.360 nan 0.000 0.449 384 K N -1.246 119.019 120.400 -0.225 0.000 2.186 384 K HA 0.041 4.360 4.320 -0.001 0.000 0.202 384 K C 1.797 178.193 176.600 -0.340 0.000 1.052 384 K CA 1.451 57.590 56.287 -0.247 0.000 0.965 384 K CB 0.270 32.672 32.500 -0.164 0.000 0.746 384 K HN 0.316 nan 8.250 nan 0.000 0.457 385 T N -3.193 111.155 114.554 -0.343 0.000 3.003 385 T HA 0.060 4.409 4.350 -0.001 0.000 0.261 385 T C 0.080 174.677 174.700 -0.172 0.000 1.003 385 T CA -0.372 61.596 62.100 -0.219 0.000 0.917 385 T CB 0.047 68.849 68.868 -0.110 0.000 1.084 385 T HN 0.189 nan 8.240 nan 0.000 0.522 386 H N -0.116 118.905 119.070 -0.081 0.000 2.820 386 H HA -0.106 4.449 4.556 -0.001 0.000 0.295 386 H C -0.501 174.762 175.328 -0.108 0.000 1.187 386 H CA 0.617 56.607 56.048 -0.098 0.000 1.144 386 H CB -2.495 27.296 29.762 0.049 0.000 1.354 386 H HN 0.386 nan 8.280 nan 0.000 0.395 387 V N 1.315 121.187 119.914 -0.070 0.000 2.435 387 V HA 0.287 4.407 4.120 -0.001 0.000 0.290 387 V C 0.873 176.942 176.094 -0.042 0.000 1.030 387 V CA -0.811 61.483 62.300 -0.009 0.000 0.881 387 V CB 2.337 34.191 31.823 0.052 0.000 0.983 387 V HN 0.075 nan 8.190 nan 0.000 0.445 388 V N 5.177 125.104 119.914 0.021 0.000 2.432 388 V HA 0.423 4.543 4.120 -0.001 0.000 0.271 388 V C 0.746 176.943 176.094 0.172 0.000 1.046 388 V CA -0.032 62.309 62.300 0.068 0.000 0.945 388 V CB 1.071 32.989 31.823 0.158 0.000 0.992 388 V HN 1.103 nan 8.190 nan 0.000 0.471 389 T N 1.501 116.183 114.554 0.213 0.000 2.844 389 T HA 0.588 4.937 4.350 -0.001 0.000 0.274 389 T C -0.133 174.740 174.700 0.289 0.000 0.991 389 T CA -0.719 61.521 62.100 0.232 0.000 0.983 389 T CB 1.858 70.803 68.868 0.129 0.000 1.310 389 T HN 0.479 nan 8.240 nan 0.000 0.596 390 T N 3.122 117.760 114.554 0.139 0.000 2.809 390 T HA 0.529 4.878 4.350 -0.001 0.000 0.284 390 T C -2.812 171.825 174.700 -0.104 0.000 0.992 390 T CA -1.136 60.954 62.100 -0.018 0.000 0.957 390 T CB 1.462 70.392 68.868 0.103 0.000 0.942 390 T HN 0.544 nan 8.240 nan 0.000 0.439 391 P HA 0.137 nan 4.420 nan 0.000 0.271 391 P C 1.119 178.281 177.300 -0.231 0.000 1.216 391 P CA -0.057 62.705 63.100 -0.563 0.000 0.771 391 P CB 0.838 31.681 31.700 -1.429 0.000 0.864 392 G N 3.096 111.898 108.800 0.003 0.000 2.442 392 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.219 392 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.219 392 G C 1.570 176.686 174.900 0.361 0.000 1.141 392 G CA 1.016 46.353 45.100 0.396 0.000 0.763 392 G HN 0.604 nan 8.290 nan 0.000 0.554 393 S N 0.542 116.290 115.700 0.081 0.000 2.465 393 S HA 0.026 4.495 4.470 -0.001 0.000 0.241 393 S C 2.345 176.959 174.600 0.024 0.000 1.000 393 S CA 1.289 59.544 58.200 0.092 0.000 0.964 393 S CB -0.596 62.666 63.200 0.103 0.000 0.763 393 S HN 0.440 nan 8.310 nan 0.000 0.512 394 G N 0.150 108.831 108.800 -0.198 0.000 2.509 394 G HA2 0.020 3.980 3.960 -0.001 0.000 0.218 394 G HA3 0.020 3.980 3.960 -0.001 0.000 0.218 394 G C 0.580 175.152 174.900 -0.547 0.000 1.124 394 G CA 0.208 45.046 45.100 -0.436 0.000 0.776 394 G HN 0.625 nan 8.290 nan 0.000 0.547 395 F N 0.958 120.849 119.950 -0.097 0.000 2.668 395 F HA 0.471 4.998 4.527 -0.001 0.000 0.297 395 F C 1.342 177.158 175.800 0.027 0.000 1.124 395 F CA 0.164 58.110 58.000 -0.090 0.000 1.353 395 F CB 0.413 39.318 39.000 -0.157 0.000 0.992 395 F HN 0.302 nan 8.300 nan 0.000 0.524 396 G N 1.082 110.004 108.800 0.204 0.000 2.603 396 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.686 396 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.686 396 G C -2.171 172.842 174.900 0.188 0.000 1.286 396 G CA -0.725 44.521 45.100 0.244 0.000 0.871 396 G HN -0.072 nan 8.290 nan 0.000 0.568 397 P HA -0.057 nan 4.420 nan 0.000 0.218 397 P C 1.927 179.294 177.300 0.113 0.000 1.149 397 P CA 2.087 65.218 63.100 0.053 0.000 0.817 397 P CB -0.254 31.382 31.700 -0.108 0.000 0.785 398 G N -0.120 108.757 108.800 0.129 0.000 2.535 398 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.218 398 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.218 398 G C 1.642 176.704 174.900 0.271 0.000 1.122 398 G CA 0.681 45.881 45.100 0.167 0.000 0.769 398 G HN 0.418 nan 8.290 nan 0.000 0.549 399 G N -0.264 108.731 108.800 0.324 0.000 2.712 399 G HA2 0.111 4.070 3.960 -0.001 0.000 0.212 399 G HA3 0.111 4.070 3.960 -0.001 0.000 0.212 399 G C 0.613 175.771 174.900 0.430 0.000 1.142 399 G CA -0.004 45.407 45.100 0.519 0.000 0.789 399 G HN 0.401 nan 8.290 nan 0.000 0.535 400 E N 0.532 120.915 120.200 0.304 0.000 2.465 400 E HA 0.368 4.717 4.350 -0.001 0.000 0.260 400 E C 1.293 178.033 176.600 0.234 0.000 0.980 400 E CA 0.733 57.258 56.400 0.209 0.000 0.927 400 E CB 0.208 30.000 29.700 0.152 0.000 0.934 400 E HN 0.433 nan 8.360 nan 0.000 0.459 401 G N 2.934 111.781 108.800 0.078 0.000 2.175 401 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.244 401 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.244 401 G C -0.136 174.566 174.900 -0.330 0.000 0.982 401 G CA 0.095 45.141 45.100 -0.090 0.000 0.641 401 G HN 0.350 nan 8.290 nan 0.000 0.527 402 F N -0.738 119.059 119.950 -0.255 0.000 2.593 402 F HA 0.778 5.304 4.527 -0.001 0.000 0.320 402 F C 0.208 175.682 175.800 -0.543 0.000 1.060 402 F CA -1.206 56.425 58.000 -0.614 0.000 0.940 402 F CB 2.401 40.360 39.000 -1.734 0.000 1.268 402 F HN 0.017 nan 8.300 nan 0.000 0.475 403 V N 1.865 121.608 119.914 -0.286 0.000 2.656 403 V HA 0.499 4.618 4.120 -0.001 0.000 0.307 403 V C -0.503 175.554 176.094 -0.063 0.000 1.051 403 V CA -1.029 61.162 62.300 -0.181 0.000 0.893 403 V CB 2.022 33.682 31.823 -0.272 0.000 0.999 403 V HN 0.669 nan 8.190 nan 0.000 0.426 404 R N 2.540 123.126 120.500 0.143 0.000 2.297 404 R HA 0.727 5.066 4.340 -0.001 0.000 0.308 404 R C -1.461 174.876 176.300 0.062 0.000 1.029 404 R CA -0.302 55.899 56.100 0.168 0.000 0.929 404 R CB 1.580 31.936 30.300 0.093 0.000 1.046 404 R HN 0.564 nan 8.270 nan 0.000 0.461 405 V N 2.936 122.870 119.914 0.033 0.000 2.448 405 V HA 0.224 4.343 4.120 -0.001 0.000 0.295 405 V C 0.107 176.246 176.094 0.075 0.000 1.025 405 V CA -0.705 61.638 62.300 0.071 0.000 0.859 405 V CB 1.612 33.479 31.823 0.074 0.000 0.988 405 V HN 0.812 nan 8.190 nan 0.000 0.431 406 S N 3.171 118.915 115.700 0.075 0.000 2.584 406 S HA 0.558 5.027 4.470 -0.001 0.000 0.273 406 S C 1.052 175.615 174.600 -0.062 0.000 1.311 406 S CA 0.188 58.373 58.200 -0.025 0.000 1.034 406 S CB 1.507 64.728 63.200 0.035 0.000 0.939 406 S HN 1.038 nan 8.310 nan 0.000 0.513 407 A N 4.212 126.867 122.820 -0.276 0.000 2.275 407 A HA 0.349 4.669 4.320 -0.001 0.000 0.212 407 A C -0.033 177.501 177.584 -0.083 0.000 1.201 407 A CA -0.225 51.706 52.037 -0.176 0.000 0.843 407 A CB -0.274 18.604 19.000 -0.204 0.000 0.873 407 A HN 0.665 nan 8.150 nan 0.000 0.492 408 F N 0.942 120.863 119.950 -0.048 0.000 2.494 408 F HA 0.502 5.029 4.527 -0.001 0.000 0.369 408 F C 1.045 176.906 175.800 0.101 0.000 1.098 408 F CA -0.028 57.915 58.000 -0.095 0.000 1.154 408 F CB 0.279 39.164 39.000 -0.192 0.000 1.103 408 F HN 0.216 nan 8.300 nan 0.000 0.549 409 G N 2.166 111.245 108.800 0.466 0.000 2.377 409 G HA2 0.180 4.140 3.960 -0.001 0.000 0.297 409 G HA3 0.180 4.140 3.960 -0.001 0.000 0.297 409 G C -1.538 173.595 174.900 0.389 0.000 1.547 409 G CA -1.180 44.063 45.100 0.240 0.000 0.833 409 G HN 0.462 nan 8.290 nan 0.000 0.583 410 H N 0.487 119.780 119.070 0.371 0.000 3.073 410 H HA 0.048 4.604 4.556 -0.001 0.000 0.340 410 H C 1.774 177.316 175.328 0.356 0.000 1.054 410 H CA 0.521 56.784 56.048 0.358 0.000 1.372 410 H CB 0.906 30.789 29.762 0.201 0.000 1.314 410 H HN 0.681 nan 8.280 nan 0.000 0.603 411 R N 1.783 122.620 120.500 0.562 0.000 2.103 411 R HA -0.180 4.159 4.340 -0.001 0.000 0.242 411 R C 1.795 178.210 176.300 0.192 0.000 1.142 411 R CA 1.839 58.126 56.100 0.312 0.000 0.960 411 R CB -0.225 30.271 30.300 0.326 0.000 0.858 411 R HN 0.624 nan 8.270 nan 0.000 0.439 412 E N 0.217 120.538 120.200 0.202 0.000 2.106 412 E HA -0.100 4.249 4.350 -0.001 0.000 0.192 412 E C 1.361 178.027 176.600 0.111 0.000 0.984 412 E CA 1.334 57.811 56.400 0.129 0.000 0.806 412 E CB -0.358 29.409 29.700 0.111 0.000 0.750 412 E HN 0.366 nan 8.360 nan 0.000 0.458 413 N N 0.228 119.022 118.700 0.157 0.000 2.142 413 N HA -0.111 4.628 4.740 -0.001 0.000 0.186 413 N C 1.635 177.176 175.510 0.053 0.000 1.023 413 N CA 1.025 54.137 53.050 0.102 0.000 0.852 413 N CB -0.188 38.368 38.487 0.116 0.000 0.998 413 N HN 0.215 nan 8.380 nan 0.000 0.424 414 I N 1.254 121.873 120.570 0.081 0.000 2.179 414 I HA -0.195 3.975 4.170 -0.001 0.000 0.242 414 I C 2.273 178.391 176.117 0.003 0.000 1.088 414 I CA 0.809 62.139 61.300 0.050 0.000 1.357 414 I CB -1.236 36.799 38.000 0.059 0.000 1.051 414 I HN 0.102 nan 8.210 nan 0.000 0.409 415 L N 0.254 121.486 121.223 0.015 0.000 2.012 415 L HA -0.240 4.099 4.340 -0.001 0.000 0.210 415 L C 2.645 179.486 176.870 -0.048 0.000 1.073 415 L CA 1.512 56.347 54.840 -0.008 0.000 0.748 415 L CB -0.576 41.491 42.059 0.013 0.000 0.891 415 L HN 0.208 nan 8.230 nan 0.000 0.431 416 E N 0.565 120.740 120.200 -0.042 0.000 2.058 416 E HA -0.233 4.116 4.350 -0.001 0.000 0.194 416 E C 2.096 178.591 176.600 -0.175 0.000 0.997 416 E CA 1.736 58.091 56.400 -0.075 0.000 0.801 416 E CB -0.241 29.437 29.700 -0.036 0.000 0.746 416 E HN 0.359 nan 8.360 nan 0.000 0.450 417 A N 0.019 122.704 122.820 -0.226 0.000 1.892 417 A HA -0.253 4.067 4.320 -0.001 0.000 0.218 417 A C 2.661 179.750 177.584 -0.824 0.000 1.188 417 A CA 1.789 53.517 52.037 -0.514 0.000 0.631 417 A CB -1.189 17.553 19.000 -0.429 0.000 0.822 417 A HN 0.524 nan 8.150 nan 0.000 0.447 418 C N -0.590 118.459 119.300 -0.418 0.000 2.425 418 C HA -0.065 4.394 4.460 -0.001 0.000 0.277 418 C C 2.885 177.774 174.990 -0.169 0.000 1.280 418 C CA 1.185 60.075 59.018 -0.212 0.000 1.744 418 C CB -1.366 26.363 27.740 -0.020 0.000 1.989 418 C HN 0.839 nan 8.230 nan 0.000 0.491 419 R N 1.460 121.866 120.500 -0.156 0.000 2.115 419 R HA -0.040 4.299 4.340 -0.001 0.000 0.230 419 R C 2.059 178.289 176.300 -0.117 0.000 1.111 419 R CA 1.344 57.383 56.100 -0.102 0.000 0.976 419 R CB -0.523 29.735 30.300 -0.070 0.000 0.870 419 R HN 0.458 nan 8.270 nan 0.000 0.445 420 R N -0.059 120.321 120.500 -0.200 0.000 2.073 420 R HA -0.064 4.275 4.340 -0.001 0.000 0.234 420 R C 1.993 178.233 176.300 -0.099 0.000 1.134 420 R CA 1.659 57.653 56.100 -0.177 0.000 0.952 420 R CB -0.502 29.663 30.300 -0.225 0.000 0.850 420 R HN 0.185 nan 8.270 nan 0.000 0.433 421 F N 1.537 121.425 119.950 -0.104 0.000 2.095 421 F HA -0.181 4.346 4.527 -0.001 0.000 0.298 421 F C 2.253 177.991 175.800 -0.104 0.000 1.104 421 F CA 1.147 59.077 58.000 -0.117 0.000 1.232 421 F CB -0.685 38.169 39.000 -0.243 0.000 0.987 421 F HN -0.071 nan 8.300 nan 0.000 0.475 422 K N -0.131 120.314 120.400 0.076 0.000 2.026 422 K HA -0.236 4.083 4.320 -0.001 0.000 0.208 422 K C 2.171 178.768 176.600 -0.004 0.000 1.048 422 K CA 1.548 57.847 56.287 0.020 0.000 0.929 422 K CB -0.384 32.101 32.500 -0.024 0.000 0.713 422 K HN 0.301 nan 8.250 nan 0.000 0.439 423 Q N 0.871 120.656 119.800 -0.026 0.000 2.084 423 Q HA -0.201 4.138 4.340 -0.001 0.000 0.202 423 Q C 2.139 178.114 176.000 -0.042 0.000 0.978 423 Q CA 1.312 57.096 55.803 -0.031 0.000 0.844 423 Q CB -0.053 28.667 28.738 -0.030 0.000 0.898 423 Q HN 0.202 nan 8.270 nan 0.000 0.426 424 L N -0.340 120.822 121.223 -0.103 0.000 2.017 424 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 424 L C 1.295 178.043 176.870 -0.204 0.000 1.073 424 L CA 1.820 56.517 54.840 -0.238 0.000 0.745 424 L CB -0.432 41.341 42.059 -0.477 0.000 0.894 424 L HN 0.279 nan 8.230 nan 0.000 0.432 425 Y N -0.974 119.371 120.300 0.075 0.000 2.458 425 Y HA 0.148 4.697 4.550 -0.001 0.000 0.256 425 Y C 2.233 178.147 175.900 0.023 0.000 1.159 425 Y CA 0.005 58.167 58.100 0.103 0.000 1.261 425 Y CB -0.390 38.193 38.460 0.204 0.000 1.119 425 Y HN 0.185 nan 8.280 nan 0.000 0.524 426 K N -0.241 120.179 120.400 0.034 0.000 2.020 426 K HA -0.149 4.171 4.320 -0.001 0.000 0.212 426 K C 0.405 176.860 176.600 -0.242 0.000 1.050 426 K CA 1.437 57.609 56.287 -0.192 0.000 0.929 426 K CB -0.027 32.196 32.500 -0.461 0.000 0.714 426 K HN 0.273 nan 8.250 nan 0.000 0.443 427 H N 0.000 119.109 119.070 0.064 0.000 2.539 427 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 427 H CA 0.000 56.072 56.048 0.041 0.000 1.023 427 H CB 0.000 29.778 29.762 0.026 0.000 1.292 427 H HN 0.000 nan 8.280 nan 0.000 0.496