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 3ei6_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 RRFKQLYKHH H 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 0.000 176.641 176.600 0.069 0.000 1.382 19 E CA 0.000 56.433 56.400 0.056 0.000 0.976 19 E CB 0.000 29.724 29.700 0.039 0.000 0.812 20 Y N 2.471 122.770 120.300 -0.002 0.000 2.511 20 Y HA 0.298 4.847 4.550 -0.001 0.000 0.332 20 Y C -0.544 175.355 175.900 -0.002 0.000 1.177 20 Y CA 0.676 58.776 58.100 -0.002 0.000 1.422 20 Y CB 0.795 39.254 38.460 -0.001 0.000 1.271 20 Y HN 0.425 nan 8.280 nan 0.000 0.550 21 K N 3.789 123.799 120.400 -0.651 0.000 2.375 21 K HA 0.337 4.656 4.320 -0.001 0.000 0.249 21 K C -0.201 175.971 176.600 -0.713 0.000 0.942 21 K CA -0.922 55.103 56.287 -0.437 0.000 0.806 21 K CB 1.669 34.020 32.500 -0.248 0.000 1.227 21 K HN 0.747 nan 8.250 nan 0.000 0.430 22 T N -1.207 113.194 114.554 -0.255 0.000 2.698 22 T HA 0.142 4.491 4.350 -0.001 0.000 0.295 22 T C 0.607 175.229 174.700 -0.129 0.000 1.007 22 T CA -0.264 61.770 62.100 -0.111 0.000 0.980 22 T CB 0.472 69.366 68.868 0.045 0.000 1.036 22 T HN 0.514 nan 8.240 nan 0.000 0.526 23 K N 0.023 120.389 120.400 -0.057 0.000 2.437 23 K HA 0.336 4.655 4.320 -0.001 0.000 0.205 23 K C -0.485 176.101 176.600 -0.023 0.000 1.026 23 K CA -0.268 55.991 56.287 -0.047 0.000 1.153 23 K CB 0.485 32.967 32.500 -0.030 0.000 0.863 23 K HN 0.325 nan 8.250 nan 0.000 0.502 24 V N 1.950 121.856 119.914 -0.014 0.000 2.488 24 V HA 0.051 4.170 4.120 -0.001 0.000 0.277 24 V C 0.322 176.409 176.094 -0.012 0.000 1.046 24 V CA -0.329 61.967 62.300 -0.005 0.000 0.986 24 V CB 1.300 33.126 31.823 0.005 0.000 0.989 24 V HN 0.170 nan 8.190 nan 0.000 0.475 25 S N 5.280 120.974 115.700 -0.010 0.000 2.505 25 S HA 0.251 4.720 4.470 -0.001 0.000 0.276 25 S C 0.448 175.044 174.600 -0.008 0.000 1.274 25 S CA -0.378 57.816 58.200 -0.010 0.000 1.053 25 S CB 0.190 63.386 63.200 -0.008 0.000 0.919 25 S HN 0.725 nan 8.310 nan 0.000 0.490 26 R N 2.804 123.299 120.500 -0.009 0.000 2.583 26 R HA -0.058 4.281 4.340 -0.001 0.000 0.274 26 R C 0.268 176.565 176.300 -0.005 0.000 0.998 26 R CA -0.194 55.902 56.100 -0.007 0.000 1.081 26 R CB 0.226 30.521 30.300 -0.008 0.000 0.940 26 R HN 0.550 nan 8.270 nan 0.000 0.413 27 N N 1.971 120.668 118.700 -0.005 0.000 2.414 27 N HA -0.096 4.643 4.740 -0.001 0.000 0.268 27 N C 0.580 176.089 175.510 -0.002 0.000 1.286 27 N CA 0.723 53.770 53.050 -0.005 0.000 0.896 27 N CB 0.891 39.373 38.487 -0.008 0.000 1.093 27 N HN 0.648 nan 8.380 nan 0.000 0.480 28 S N 3.173 118.874 115.700 0.001 0.000 2.447 28 S HA -0.085 4.385 4.470 -0.001 0.000 0.233 28 S C 1.249 175.855 174.600 0.010 0.000 1.006 28 S CA 0.456 58.661 58.200 0.008 0.000 0.957 28 S CB -0.053 63.154 63.200 0.011 0.000 0.773 28 S HN 0.574 nan 8.310 nan 0.000 0.507 29 N N 1.512 120.212 118.700 0.001 0.000 2.270 29 N HA 0.081 4.820 4.740 -0.001 0.000 0.181 29 N C 1.527 177.028 175.510 -0.016 0.000 1.016 29 N CA 1.120 54.166 53.050 -0.007 0.000 0.870 29 N CB -0.372 38.105 38.487 -0.017 0.000 0.979 29 N HN 0.378 nan 8.380 nan 0.000 0.431 30 M N 0.592 120.183 119.600 -0.015 0.000 2.200 30 M HA 0.041 4.520 4.480 -0.001 0.000 0.265 30 M C 1.911 178.207 176.300 -0.006 0.000 1.066 30 M CA 0.865 56.154 55.300 -0.019 0.000 1.127 30 M CB -1.152 31.436 32.600 -0.019 0.000 1.379 30 M HN -0.034 nan 8.290 nan 0.000 0.420 31 S N 0.629 116.331 115.700 0.005 0.000 2.419 31 S HA -0.099 4.370 4.470 -0.001 0.000 0.233 31 S C 1.838 176.461 174.600 0.038 0.000 1.016 31 S CA 0.983 59.192 58.200 0.015 0.000 0.974 31 S CB -0.246 62.964 63.200 0.016 0.000 0.786 31 S HN 0.484 nan 8.310 nan 0.000 0.492 32 K N 0.811 121.244 120.400 0.055 0.000 2.147 32 K HA 0.023 4.342 4.320 -0.001 0.000 0.205 32 K C 0.232 176.947 176.600 0.192 0.000 1.049 32 K CA 0.476 56.839 56.287 0.126 0.000 0.936 32 K CB -0.406 32.166 32.500 0.119 0.000 0.722 32 K HN 0.336 nan 8.250 nan 0.000 0.446 33 L N 1.937 123.216 121.223 0.093 0.000 2.499 33 L HA -0.078 4.261 4.340 -0.001 0.000 0.273 33 L C 1.592 178.484 176.870 0.036 0.000 1.195 33 L CA -0.239 54.656 54.840 0.092 0.000 0.882 33 L CB 0.464 42.520 42.059 -0.005 0.000 1.133 33 L HN 0.094 nan 8.230 nan 0.000 0.483 34 Q N 3.307 123.079 119.800 -0.047 0.000 2.187 34 Q HA 0.118 4.457 4.340 -0.001 0.000 0.199 34 Q C 0.242 176.099 176.000 -0.238 0.000 0.957 34 Q CA 1.315 56.931 55.803 -0.311 0.000 0.857 34 Q CB 0.436 28.543 28.738 -1.051 0.000 0.929 34 Q HN 0.793 nan 8.270 nan 0.000 0.453 35 A N -1.805 120.902 122.820 -0.188 0.000 2.534 35 A HA 0.728 5.048 4.320 -0.001 0.000 0.300 35 A C -0.009 177.516 177.584 -0.098 0.000 1.223 35 A CA -0.558 51.386 52.037 -0.156 0.000 0.666 35 A CB 0.054 18.930 19.000 -0.207 0.000 1.316 35 A HN 0.263 nan 8.150 nan 0.000 0.468 36 G N -1.411 107.336 108.800 -0.088 0.000 2.684 36 G HA2 0.420 4.379 3.960 -0.001 0.000 0.255 36 G HA3 0.420 4.379 3.960 -0.001 0.000 0.255 36 G C -0.287 174.605 174.900 -0.013 0.000 1.219 36 G CA -0.049 45.030 45.100 -0.036 0.000 0.901 36 G HN 0.907 nan 8.290 nan 0.000 0.548 37 Y N 0.443 120.675 120.300 -0.114 0.000 2.497 37 Y HA 0.129 4.678 4.550 -0.001 0.000 0.334 37 Y C 1.449 177.232 175.900 -0.196 0.000 1.199 37 Y CA -0.564 57.449 58.100 -0.146 0.000 1.425 37 Y CB 1.161 39.567 38.460 -0.090 0.000 1.291 37 Y HN 0.358 nan 8.280 nan 0.000 0.562 38 L N 5.194 125.886 121.223 -0.885 0.000 1.990 38 L HA -0.236 4.103 4.340 -0.001 0.000 0.213 38 L C 1.675 178.062 176.870 -0.806 0.000 1.072 38 L CA 2.013 56.296 54.840 -0.929 0.000 0.755 38 L CB -0.995 40.206 42.059 -1.429 0.000 0.889 38 L HN 0.744 nan 8.230 nan 0.000 0.432 39 F N -0.264 119.332 119.950 -0.589 0.000 2.146 39 F HA -0.023 4.503 4.527 -0.001 0.000 0.298 39 F C -0.176 175.572 175.800 -0.086 0.000 1.096 39 F CA 1.223 59.064 58.000 -0.264 0.000 1.275 39 F CB -2.482 36.405 39.000 -0.188 0.000 1.008 39 F HN 0.193 nan 8.300 nan 0.000 0.480 40 P HA -0.188 nan 4.420 nan 0.000 0.218 40 P C 1.390 178.720 177.300 0.049 0.000 1.148 40 P CA 1.525 64.689 63.100 0.106 0.000 0.822 40 P CB 0.009 31.785 31.700 0.126 0.000 0.784 41 E N 0.001 120.191 120.200 -0.016 0.000 2.077 41 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 41 E C 1.899 178.520 176.600 0.035 0.000 0.989 41 E CA 1.209 57.598 56.400 -0.019 0.000 0.800 41 E CB -1.003 28.654 29.700 -0.070 0.000 0.746 41 E HN 0.025 nan 8.360 nan 0.000 0.452 42 I N 0.905 121.485 120.570 0.016 0.000 2.226 42 I HA -0.215 3.954 4.170 -0.001 0.000 0.245 42 I C 2.370 178.591 176.117 0.174 0.000 1.100 42 I CA 1.403 62.750 61.300 0.077 0.000 1.374 42 I CB -1.707 36.314 38.000 0.035 0.000 1.057 42 I HN 0.210 nan 8.210 nan 0.000 0.413 43 A N 0.609 123.514 122.820 0.141 0.000 1.933 43 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 43 A C 2.526 180.189 177.584 0.132 0.000 1.175 43 A CA 1.708 53.830 52.037 0.141 0.000 0.628 43 A CB -0.616 18.457 19.000 0.123 0.000 0.814 43 A HN 0.299 nan 8.150 nan 0.000 0.444 44 R N -0.748 119.817 120.500 0.109 0.000 2.075 44 R HA -0.067 4.272 4.340 -0.001 0.000 0.232 44 R C 2.434 178.809 176.300 0.126 0.000 1.126 44 R CA 1.242 57.397 56.100 0.093 0.000 0.963 44 R CB -0.156 30.176 30.300 0.054 0.000 0.858 44 R HN 0.373 nan 8.270 nan 0.000 0.435 45 R N 0.101 120.707 120.500 0.176 0.000 2.091 45 R HA -0.171 4.169 4.340 -0.001 0.000 0.238 45 R C 2.256 178.713 176.300 0.262 0.000 1.136 45 R CA 1.547 57.804 56.100 0.262 0.000 0.959 45 R CB -0.643 29.939 30.300 0.470 0.000 0.856 45 R HN 0.313 nan 8.270 nan 0.000 0.437 46 R N 0.697 121.347 120.500 0.250 0.000 2.073 46 R HA -0.090 4.250 4.340 -0.001 0.000 0.234 46 R C 2.228 178.649 176.300 0.203 0.000 1.134 46 R CA 1.981 58.208 56.100 0.211 0.000 0.952 46 R CB -0.094 30.316 30.300 0.184 0.000 0.850 46 R HN 0.084 nan 8.270 nan 0.000 0.433 47 S N 0.428 116.222 115.700 0.157 0.000 2.370 47 S HA -0.146 4.324 4.470 -0.001 0.000 0.226 47 S C 1.979 176.645 174.600 0.110 0.000 1.033 47 S CA 1.242 59.514 58.200 0.120 0.000 1.011 47 S CB -0.239 63.015 63.200 0.091 0.000 0.852 47 S HN 0.586 nan 8.310 nan 0.000 0.457 48 A N 0.885 123.774 122.820 0.115 0.000 1.930 48 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 48 A C 1.849 179.482 177.584 0.082 0.000 1.175 48 A CA 1.988 54.073 52.037 0.079 0.000 0.627 48 A CB -0.920 18.125 19.000 0.076 0.000 0.815 48 A HN 0.652 nan 8.150 nan 0.000 0.443 49 H N -0.372 118.735 119.070 0.062 0.000 2.353 49 H HA 0.024 4.579 4.556 -0.001 0.000 0.300 49 H C 1.696 177.078 175.328 0.090 0.000 1.090 49 H CA 1.856 57.953 56.048 0.083 0.000 1.327 49 H CB -0.188 29.661 29.762 0.146 0.000 1.383 49 H HN 0.365 nan 8.280 nan 0.000 0.508 50 L N -0.574 120.743 121.223 0.156 0.000 2.217 50 L HA -0.111 4.228 4.340 -0.001 0.000 0.211 50 L C 1.874 178.748 176.870 0.006 0.000 1.107 50 L CA 0.142 55.037 54.840 0.092 0.000 0.783 50 L CB -0.114 42.021 42.059 0.127 0.000 0.919 50 L HN 0.301 nan 8.230 nan 0.000 0.442 51 L N -0.080 121.134 121.223 -0.015 0.000 2.056 51 L HA -0.198 4.141 4.340 -0.001 0.000 0.207 51 L C 2.487 179.282 176.870 -0.126 0.000 1.078 51 L CA 1.662 56.474 54.840 -0.048 0.000 0.749 51 L CB -0.731 41.309 42.059 -0.032 0.000 0.901 51 L HN 0.163 nan 8.230 nan 0.000 0.433 52 K N -1.158 119.097 120.400 -0.241 0.000 2.057 52 K HA -0.151 4.168 4.320 -0.001 0.000 0.206 52 K C -0.265 175.997 176.600 -0.563 0.000 1.050 52 K CA 1.204 57.197 56.287 -0.489 0.000 0.935 52 K CB 0.089 32.151 32.500 -0.730 0.000 0.715 52 K HN 0.200 nan 8.250 nan 0.000 0.439 53 Y N -0.204 119.988 120.300 -0.180 0.000 2.787 53 Y HA 0.293 4.842 4.550 -0.001 0.000 0.352 53 Y C -2.190 173.644 175.900 -0.111 0.000 1.027 53 Y CA -2.783 55.221 58.100 -0.159 0.000 1.219 53 Y CB 1.429 39.753 38.460 -0.227 0.000 1.110 53 Y HN 0.109 nan 8.280 nan 0.000 0.614 54 P HA -0.121 nan 4.420 nan 0.000 0.221 54 P C 0.507 177.824 177.300 0.028 0.000 1.145 54 P CA 1.619 64.737 63.100 0.031 0.000 0.795 54 P CB 0.461 32.172 31.700 0.018 0.000 0.775 55 D N -1.444 118.967 120.400 0.018 0.000 2.402 55 D HA 0.172 4.811 4.640 -0.001 0.000 0.216 55 D C 0.568 176.829 176.300 -0.065 0.000 1.128 55 D CA -0.066 53.926 54.000 -0.013 0.000 0.833 55 D CB 0.006 40.797 40.800 -0.015 0.000 0.971 55 D HN 0.049 nan 8.370 nan 0.000 0.503 56 A N 1.136 123.906 122.820 -0.084 0.000 2.546 56 A HA 0.019 4.339 4.320 -0.001 0.000 0.243 56 A C 0.702 178.216 177.584 -0.116 0.000 1.063 56 A CA 0.132 52.028 52.037 -0.236 0.000 0.757 56 A CB 0.315 19.237 19.000 -0.129 0.000 0.991 56 A HN -0.063 nan 8.150 nan 0.000 0.503 57 Q N 2.437 122.142 119.800 -0.158 0.000 2.681 57 Q HA 0.224 4.564 4.340 -0.001 0.000 0.222 57 Q C -0.440 175.563 176.000 0.006 0.000 1.258 57 Q CA -0.100 55.675 55.803 -0.046 0.000 1.014 57 Q CB 0.343 29.055 28.738 -0.042 0.000 1.384 57 Q HN 0.488 nan 8.270 nan 0.000 0.570 58 V N 3.483 123.432 119.914 0.059 0.000 2.555 58 V HA 0.205 4.324 4.120 -0.001 0.000 0.286 58 V C 0.614 176.749 176.094 0.068 0.000 1.044 58 V CA -0.002 62.358 62.300 0.099 0.000 1.026 58 V CB 0.683 32.589 31.823 0.139 0.000 0.981 58 V HN 0.487 nan 8.190 nan 0.000 0.480 59 I N 3.885 124.485 120.570 0.050 0.000 2.378 59 I HA 0.310 4.479 4.170 -0.001 0.000 0.291 59 I C 0.210 176.365 176.117 0.064 0.000 0.992 59 I CA -0.056 61.272 61.300 0.046 0.000 1.154 59 I CB 1.848 39.855 38.000 0.012 0.000 1.315 59 I HN 0.588 nan 8.210 nan 0.000 0.448 60 S N 7.339 123.090 115.700 0.086 0.000 2.410 60 S HA 0.502 4.971 4.470 -0.001 0.000 0.304 60 S C 0.060 174.747 174.600 0.145 0.000 1.095 60 S CA -0.531 57.739 58.200 0.116 0.000 1.089 60 S CB 0.186 63.456 63.200 0.117 0.000 0.968 60 S HN 0.584 nan 8.310 nan 0.000 0.480 61 L N 4.939 126.269 121.223 0.180 0.000 3.141 61 L HA 0.403 4.743 4.340 -0.001 0.000 0.267 61 L C 1.418 178.438 176.870 0.250 0.000 1.281 61 L CA -0.417 54.554 54.840 0.219 0.000 1.037 61 L CB -0.028 42.182 42.059 0.251 0.000 1.407 61 L HN 0.801 nan 8.230 nan 0.000 0.566 62 G N 0.474 109.424 108.800 0.249 0.000 2.548 62 G HA2 0.246 4.205 3.960 -0.001 0.000 0.221 62 G HA3 0.246 4.205 3.960 -0.001 0.000 0.221 62 G C 0.567 175.645 174.900 0.298 0.000 1.796 62 G CA -0.396 44.873 45.100 0.280 0.000 0.889 62 G HN 0.084 nan 8.290 nan 0.000 0.599 63 I N 2.672 123.405 120.570 0.273 0.000 2.741 63 I HA 0.131 4.300 4.170 -0.001 0.000 0.288 63 I C 1.245 177.471 176.117 0.181 0.000 1.192 63 I CA 0.075 61.501 61.300 0.209 0.000 1.426 63 I CB 0.599 38.684 38.000 0.141 0.000 1.367 63 I HN 0.206 nan 8.210 nan 0.000 0.563 64 G N 5.330 114.244 108.800 0.190 0.000 2.690 64 G HA2 0.112 4.071 3.960 -0.001 0.000 0.294 64 G HA3 0.112 4.071 3.960 -0.001 0.000 0.294 64 G C -0.480 174.381 174.900 -0.064 0.000 0.793 64 G CA -0.127 45.185 45.100 0.354 0.000 1.818 64 G HN 0.635 nan 8.290 nan 0.000 0.515 65 D N 1.892 122.202 120.400 -0.150 0.000 2.502 65 D HA 0.396 5.035 4.640 -0.001 0.000 0.249 65 D C 0.862 176.875 176.300 -0.479 0.000 1.092 65 D CA -0.419 53.397 54.000 -0.307 0.000 0.839 65 D CB 1.443 42.182 40.800 -0.102 0.000 1.264 65 D HN 0.318 nan 8.370 nan 0.000 0.511 66 T N 0.356 114.528 114.554 -0.636 0.000 2.937 66 T HA 0.251 4.600 4.350 -0.001 0.000 0.316 66 T C 1.185 175.879 174.700 -0.010 0.000 1.079 66 T CA 0.243 62.109 62.100 -0.389 0.000 1.131 66 T CB 0.886 69.663 68.868 -0.152 0.000 1.000 66 T HN 0.472 nan 8.240 nan 0.000 0.549 67 T N -2.573 112.115 114.554 0.224 0.000 2.966 67 T HA 0.211 4.561 4.350 -0.001 0.000 0.254 67 T C 0.181 175.057 174.700 0.294 0.000 0.961 67 T CA -0.468 61.740 62.100 0.180 0.000 0.915 67 T CB 0.308 69.209 68.868 0.054 0.000 1.186 67 T HN 0.557 nan 8.240 nan 0.000 0.505 68 E N 3.012 123.448 120.200 0.393 0.000 2.313 68 E HA 0.494 4.844 4.350 -0.001 0.000 0.272 68 E C -2.508 174.191 176.600 0.164 0.000 1.038 68 E CA -2.516 54.017 56.400 0.222 0.000 0.863 68 E CB 0.341 30.035 29.700 -0.010 0.000 1.060 68 E HN 0.252 nan 8.360 nan 0.000 0.402 69 P HA 0.079 nan 4.420 nan 0.000 0.268 69 P C -0.021 177.339 177.300 0.100 0.000 1.208 69 P CA 0.047 63.199 63.100 0.086 0.000 0.777 69 P CB 0.411 32.137 31.700 0.043 0.000 0.875 70 I N 3.342 123.986 120.570 0.122 0.000 2.588 70 I HA 0.078 4.247 4.170 -0.001 0.000 0.283 70 I C -1.767 174.416 176.117 0.110 0.000 1.119 70 I CA -1.789 59.607 61.300 0.160 0.000 1.419 70 I CB 0.019 38.141 38.000 0.203 0.000 1.394 70 I HN 0.215 nan 8.210 nan 0.000 0.562 71 P HA 0.003 nan 4.420 nan 0.000 0.265 71 P C 0.440 177.780 177.300 0.067 0.000 1.193 71 P CA 0.029 63.170 63.100 0.069 0.000 0.765 71 P CB 0.503 32.243 31.700 0.066 0.000 0.823 72 E N 1.211 121.438 120.200 0.045 0.000 2.147 72 E HA -0.199 4.150 4.350 -0.001 0.000 0.199 72 E C 1.673 178.298 176.600 0.043 0.000 1.005 72 E CA 1.130 57.554 56.400 0.040 0.000 0.810 72 E CB -0.218 29.498 29.700 0.027 0.000 0.736 72 E HN 0.238 nan 8.360 nan 0.000 0.460 73 V N 0.896 120.834 119.914 0.041 0.000 2.490 73 V HA -0.237 3.883 4.120 -0.001 0.000 0.250 73 V C 1.876 177.999 176.094 0.048 0.000 1.061 73 V CA 1.544 63.867 62.300 0.037 0.000 1.064 73 V CB -0.147 31.694 31.823 0.030 0.000 0.670 73 V HN 0.215 nan 8.190 nan 0.000 0.461 74 I N 0.354 120.966 120.570 0.070 0.000 2.339 74 I HA -0.133 4.036 4.170 -0.001 0.000 0.245 74 I C 2.694 178.873 176.117 0.103 0.000 1.096 74 I CA 1.673 63.035 61.300 0.103 0.000 1.408 74 I CB -0.630 37.463 38.000 0.155 0.000 1.092 74 I HN 0.482 nan 8.210 nan 0.000 0.423 75 T N -2.166 112.441 114.554 0.087 0.000 2.788 75 T HA -0.122 4.227 4.350 -0.001 0.000 0.268 75 T C 2.015 176.732 174.700 0.028 0.000 1.044 75 T CA 1.547 63.676 62.100 0.048 0.000 1.139 75 T CB -0.537 68.354 68.868 0.038 0.000 0.867 75 T HN 0.146 nan 8.240 nan 0.000 0.454 76 S N 1.864 117.586 115.700 0.036 0.000 2.383 76 S HA 0.019 4.488 4.470 -0.001 0.000 0.229 76 S C 2.597 177.216 174.600 0.031 0.000 1.030 76 S CA 1.104 59.325 58.200 0.035 0.000 1.002 76 S CB -0.858 62.364 63.200 0.037 0.000 0.829 76 S HN 0.797 nan 8.310 nan 0.000 0.467 77 A N 1.328 124.167 122.820 0.032 0.000 1.898 77 A HA -0.034 4.285 4.320 -0.001 0.000 0.216 77 A C 2.147 179.738 177.584 0.012 0.000 1.181 77 A CA 1.355 53.408 52.037 0.027 0.000 0.620 77 A CB -0.542 18.477 19.000 0.032 0.000 0.819 77 A HN 0.465 nan 8.150 nan 0.000 0.442 78 M N -0.676 118.928 119.600 0.006 0.000 2.099 78 M HA -0.128 4.351 4.480 -0.001 0.000 0.262 78 M C 2.586 178.848 176.300 -0.063 0.000 1.067 78 M CA 1.416 56.699 55.300 -0.028 0.000 1.124 78 M CB -0.479 32.094 32.600 -0.046 0.000 1.353 78 M HN 0.485 nan 8.290 nan 0.000 0.410 79 A N 0.570 123.350 122.820 -0.066 0.000 1.902 79 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 79 A C 2.120 179.619 177.584 -0.142 0.000 1.181 79 A CA 2.114 54.065 52.037 -0.143 0.000 0.623 79 A CB -0.678 18.276 19.000 -0.076 0.000 0.818 79 A HN 0.472 nan 8.150 nan 0.000 0.443 80 K N -0.219 120.183 120.400 0.004 0.000 2.057 80 K HA -0.231 4.088 4.320 -0.001 0.000 0.207 80 K C 2.105 178.727 176.600 0.038 0.000 1.049 80 K CA 1.937 58.268 56.287 0.074 0.000 0.931 80 K CB -0.141 32.397 32.500 0.064 0.000 0.714 80 K HN 0.262 nan 8.250 nan 0.000 0.440 81 K N 0.679 121.076 120.400 -0.005 0.000 2.057 81 K HA -0.052 4.267 4.320 -0.001 0.000 0.207 81 K C 1.777 178.362 176.600 -0.025 0.000 1.049 81 K CA 1.569 57.849 56.287 -0.011 0.000 0.931 81 K CB -0.538 31.948 32.500 -0.023 0.000 0.714 81 K HN 0.268 nan 8.250 nan 0.000 0.440 82 A N 0.646 123.415 122.820 -0.085 0.000 1.865 82 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 82 A C 2.024 179.568 177.584 -0.067 0.000 1.191 82 A CA 1.911 53.879 52.037 -0.115 0.000 0.623 82 A CB -1.035 17.834 19.000 -0.218 0.000 0.826 82 A HN 0.493 nan 8.150 nan 0.000 0.444 83 H N -0.219 118.860 119.070 0.014 0.000 2.319 83 H HA -0.120 4.436 4.556 -0.001 0.000 0.299 83 H C 2.041 177.385 175.328 0.025 0.000 1.092 83 H CA 1.756 57.814 56.048 0.017 0.000 1.302 83 H CB -0.511 29.258 29.762 0.012 0.000 1.373 83 H HN 0.689 nan 8.280 nan 0.000 0.497 84 E N 0.452 120.736 120.200 0.140 0.000 2.160 84 E HA -0.128 4.221 4.350 -0.001 0.000 0.195 84 E C 2.290 178.952 176.600 0.104 0.000 0.991 84 E CA 0.488 56.945 56.400 0.094 0.000 0.810 84 E CB -0.108 29.627 29.700 0.058 0.000 0.742 84 E HN 0.359 nan 8.360 nan 0.000 0.466 85 L N 0.814 122.099 121.223 0.104 0.000 2.353 85 L HA -0.112 4.228 4.340 -0.001 0.000 0.220 85 L C 2.261 179.255 176.870 0.207 0.000 1.133 85 L CA 0.942 55.891 54.840 0.181 0.000 0.798 85 L CB -0.297 41.843 42.059 0.134 0.000 0.922 85 L HN 0.154 nan 8.230 nan 0.000 0.445 86 S N -2.070 113.706 115.700 0.126 0.000 2.605 86 S HA 0.033 4.502 4.470 -0.001 0.000 0.217 86 S C 0.788 175.422 174.600 0.058 0.000 0.958 86 S CA -0.128 58.118 58.200 0.078 0.000 0.919 86 S CB -0.569 62.676 63.200 0.075 0.000 0.780 86 S HN 0.411 nan 8.310 nan 0.000 0.507 87 T N -1.256 113.347 114.554 0.082 0.000 2.912 87 T HA 0.596 4.946 4.350 -0.001 0.000 0.288 87 T C 1.162 175.905 174.700 0.073 0.000 1.030 87 T CA -0.994 61.142 62.100 0.059 0.000 1.020 87 T CB 0.849 69.750 68.868 0.055 0.000 1.056 87 T HN -0.064 nan 8.240 nan 0.000 0.480 88 I N 1.508 122.105 120.570 0.045 0.000 2.226 88 I HA -0.121 4.048 4.170 -0.001 0.000 0.245 88 I C 2.738 178.900 176.117 0.075 0.000 1.100 88 I CA 1.607 62.935 61.300 0.048 0.000 1.374 88 I CB -1.072 36.941 38.000 0.022 0.000 1.057 88 I HN 0.877 nan 8.210 nan 0.000 0.413 89 E N 1.088 121.323 120.200 0.058 0.000 2.152 89 E HA -0.110 4.239 4.350 -0.001 0.000 0.192 89 E C 2.065 178.701 176.600 0.059 0.000 0.983 89 E CA 1.448 57.879 56.400 0.052 0.000 0.818 89 E CB -0.708 29.012 29.700 0.034 0.000 0.758 89 E HN 0.422 nan 8.360 nan 0.000 0.467 90 G N 0.190 109.033 108.800 0.072 0.000 2.880 90 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.209 90 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.209 90 G C 0.165 175.107 174.900 0.070 0.000 1.157 90 G CA -0.331 44.806 45.100 0.061 0.000 0.779 90 G HN 0.268 nan 8.290 nan 0.000 0.539 91 Y N 3.031 123.331 120.300 -0.001 0.000 2.425 91 Y HA 0.415 4.965 4.550 -0.000 0.000 0.331 91 Y C 0.309 176.202 175.900 -0.012 0.000 1.157 91 Y CA -0.879 57.216 58.100 -0.009 0.000 1.372 91 Y CB 0.876 39.328 38.460 -0.013 0.000 1.253 91 Y HN 0.091 nan 8.280 nan 0.000 0.536 92 S N 3.585 118.703 115.700 -0.969 0.000 2.549 92 S HA 0.841 5.310 4.470 -0.001 0.000 0.280 92 S C -0.073 173.890 174.600 -1.062 0.000 1.109 92 S CA -0.416 57.315 58.200 -0.782 0.000 0.905 92 S CB 1.628 64.628 63.200 -0.333 0.000 1.081 92 S HN 0.998 nan 8.310 nan 0.000 0.477 93 G N 0.322 108.782 108.800 -0.565 0.000 3.365 93 G HA2 0.446 4.406 3.960 -0.001 0.000 0.185 93 G HA3 0.446 4.406 3.960 -0.001 0.000 0.185 93 G C -0.880 173.882 174.900 -0.230 0.000 1.565 93 G CA -0.769 44.124 45.100 -0.345 0.000 0.984 93 G HN 0.632 nan 8.290 nan 0.000 0.604 94 Y N 1.312 121.571 120.300 -0.068 0.000 2.810 94 Y HA 0.347 4.896 4.550 -0.001 0.000 0.332 94 Y C 1.245 177.099 175.900 -0.078 0.000 1.243 94 Y CA 0.559 58.618 58.100 -0.069 0.000 1.537 94 Y CB 0.258 38.691 38.460 -0.045 0.000 1.265 94 Y HN 0.408 nan 8.280 nan 0.000 0.572 95 G N 1.272 110.128 108.800 0.093 0.000 2.462 95 G HA2 0.572 4.531 3.960 -0.001 0.000 0.319 95 G HA3 0.572 4.531 3.960 -0.001 0.000 0.319 95 G C -0.798 174.124 174.900 0.038 0.000 1.171 95 G CA -0.646 44.475 45.100 0.036 0.000 0.920 95 G HN 0.904 nan 8.290 nan 0.000 0.499 96 A N 0.119 122.955 122.820 0.026 0.000 2.567 96 A HA 0.264 4.583 4.320 -0.001 0.000 0.240 96 A C 1.217 178.821 177.584 0.035 0.000 1.053 96 A CA 0.335 52.387 52.037 0.025 0.000 0.755 96 A CB 0.059 19.076 19.000 0.027 0.000 0.978 96 A HN 0.741 nan 8.150 nan 0.000 0.507 97 E N 1.461 121.680 120.200 0.031 0.000 2.160 97 E HA -0.214 4.136 4.350 -0.001 0.000 0.195 97 E C 1.676 178.399 176.600 0.206 0.000 0.991 97 E CA 1.941 58.374 56.400 0.057 0.000 0.810 97 E CB -0.122 29.619 29.700 0.069 0.000 0.742 97 E HN 0.835 nan 8.360 nan 0.000 0.466 98 Q N -0.516 119.399 119.800 0.191 0.000 2.436 98 Q HA 0.174 4.513 4.340 -0.001 0.000 0.209 98 Q C 0.474 176.587 176.000 0.187 0.000 0.965 98 Q CA 0.733 56.675 55.803 0.232 0.000 0.910 98 Q CB 0.551 29.334 28.738 0.074 0.000 0.980 98 Q HN 0.229 nan 8.270 nan 0.000 0.491 99 G N -0.454 108.434 108.800 0.147 0.000 2.617 99 G HA2 0.140 4.100 3.960 -0.001 0.000 0.686 99 G HA3 0.140 4.100 3.960 -0.001 0.000 0.686 99 G C -0.731 174.210 174.900 0.069 0.000 1.214 99 G CA -0.870 44.308 45.100 0.129 0.000 0.796 99 G HN 0.419 nan 8.290 nan 0.000 0.654 100 A N 0.954 123.810 122.820 0.060 0.000 2.540 100 A HA 0.499 4.818 4.320 -0.001 0.000 0.239 100 A C 1.610 179.207 177.584 0.022 0.000 1.061 100 A CA 1.471 53.528 52.037 0.032 0.000 0.758 100 A CB 0.344 19.361 19.000 0.027 0.000 0.991 100 A HN 1.432 nan 8.150 nan 0.000 0.502 101 K N 2.311 122.715 120.400 0.006 0.000 2.063 101 K HA -0.112 4.207 4.320 -0.001 0.000 0.208 101 K C -0.993 175.605 176.600 -0.004 0.000 1.048 101 K CA 1.995 58.279 56.287 -0.006 0.000 0.928 101 K CB -0.746 31.746 32.500 -0.012 0.000 0.713 101 K HN 0.567 nan 8.250 nan 0.000 0.442 102 P HA -0.154 nan 4.420 nan 0.000 0.218 102 P C 1.144 178.447 177.300 0.004 0.000 1.149 102 P CA 0.800 63.898 63.100 -0.002 0.000 0.817 102 P CB 0.068 31.767 31.700 -0.001 0.000 0.785 103 L N -0.242 120.992 121.223 0.019 0.000 2.044 103 L HA -0.054 4.285 4.340 -0.001 0.000 0.205 103 L C 2.292 179.179 176.870 0.029 0.000 1.075 103 L CA 1.749 56.611 54.840 0.037 0.000 0.747 103 L CB -0.882 41.219 42.059 0.070 0.000 0.903 103 L HN -0.225 nan 8.230 nan 0.000 0.435 104 R N -0.392 120.122 120.500 0.022 0.000 2.091 104 R HA -0.155 4.185 4.340 -0.001 0.000 0.238 104 R C 2.223 178.512 176.300 -0.019 0.000 1.136 104 R CA 1.398 57.496 56.100 -0.003 0.000 0.959 104 R CB -0.736 29.549 30.300 -0.026 0.000 0.856 104 R HN 0.534 nan 8.270 nan 0.000 0.437 105 A N 1.225 124.035 122.820 -0.017 0.000 1.898 105 A HA -0.083 4.236 4.320 -0.001 0.000 0.216 105 A C 2.387 179.959 177.584 -0.021 0.000 1.181 105 A CA 1.595 53.620 52.037 -0.019 0.000 0.620 105 A CB -0.600 18.388 19.000 -0.020 0.000 0.819 105 A HN 0.397 nan 8.150 nan 0.000 0.442 106 A N -0.061 122.747 122.820 -0.021 0.000 1.902 106 A HA -0.077 4.242 4.320 -0.001 0.000 0.217 106 A C 2.124 179.675 177.584 -0.054 0.000 1.181 106 A CA 1.531 53.547 52.037 -0.036 0.000 0.623 106 A CB -0.608 18.382 19.000 -0.017 0.000 0.818 106 A HN 0.490 nan 8.150 nan 0.000 0.443 107 I N -0.222 120.325 120.570 -0.038 0.000 2.142 107 I HA -0.290 3.879 4.170 -0.001 0.000 0.240 107 I C 3.006 179.168 176.117 0.074 0.000 1.078 107 I CA 1.125 62.386 61.300 -0.066 0.000 1.343 107 I CB -0.374 37.411 38.000 -0.357 0.000 1.046 107 I HN 0.352 nan 8.210 nan 0.000 0.405 108 A N 0.824 123.694 122.820 0.083 0.000 1.908 108 A HA -0.251 4.069 4.320 -0.001 0.000 0.218 108 A C 2.312 179.976 177.584 0.134 0.000 1.181 108 A CA 1.906 54.050 52.037 0.178 0.000 0.627 108 A CB -0.474 18.559 19.000 0.056 0.000 0.818 108 A HN 0.374 nan 8.150 nan 0.000 0.445 109 K N -1.264 119.146 120.400 0.017 0.000 2.076 109 K HA -0.032 4.287 4.320 -0.001 0.000 0.204 109 K C 2.118 178.649 176.600 -0.114 0.000 1.051 109 K CA 1.549 57.817 56.287 -0.032 0.000 0.949 109 K CB -0.344 32.126 32.500 -0.051 0.000 0.726 109 K HN 0.445 nan 8.250 nan 0.000 0.443 110 T N 0.799 115.216 114.554 -0.229 0.000 2.737 110 T HA -0.065 4.285 4.350 -0.001 0.000 0.265 110 T C 1.451 175.782 174.700 -0.614 0.000 1.038 110 T CA 1.314 63.124 62.100 -0.484 0.000 1.144 110 T CB -0.166 68.252 68.868 -0.750 0.000 0.866 110 T HN 0.068 nan 8.240 nan 0.000 0.434 111 F N -0.871 118.906 119.950 -0.289 0.000 2.656 111 F HA 0.285 4.812 4.527 -0.001 0.000 0.291 111 F C 0.932 176.303 175.800 -0.714 0.000 1.122 111 F CA -0.136 57.528 58.000 -0.560 0.000 1.427 111 F CB 0.109 38.618 39.000 -0.817 0.000 1.125 111 F HN 0.160 nan 8.300 nan 0.000 0.583 112 Y N -0.712 119.701 120.300 0.188 0.000 2.675 112 Y HA 0.414 4.963 4.550 -0.001 0.000 0.248 112 Y C 1.289 177.226 175.900 0.062 0.000 1.161 112 Y CA -1.211 56.983 58.100 0.156 0.000 1.203 112 Y CB -0.325 38.231 38.460 0.159 0.000 1.262 112 Y HN -0.129 nan 8.280 nan 0.000 0.544 113 G N 0.309 109.164 108.800 0.092 0.000 2.313 113 G HA2 0.354 4.314 3.960 -0.001 0.000 0.250 113 G HA3 0.354 4.314 3.960 -0.001 0.000 0.250 113 G C 1.113 176.041 174.900 0.048 0.000 1.281 113 G CA 0.629 45.755 45.100 0.044 0.000 0.917 113 G HN 0.739 nan 8.290 nan 0.000 0.501 114 G N 1.261 110.085 108.800 0.040 0.000 2.195 114 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.246 114 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.246 114 G C 0.992 175.924 174.900 0.053 0.000 0.984 114 G CA 0.460 45.582 45.100 0.035 0.000 0.633 114 G HN 0.814 nan 8.290 nan 0.000 0.525 115 L N 0.410 121.684 121.223 0.084 0.000 2.640 115 L HA 0.461 4.801 4.340 -0.001 0.000 0.230 115 L C 1.952 178.832 176.870 0.016 0.000 1.123 115 L CA 0.480 55.379 54.840 0.097 0.000 0.900 115 L CB 0.071 42.263 42.059 0.221 0.000 1.146 115 L HN 0.965 nan 8.230 nan 0.000 0.484 116 G N 1.289 110.085 108.800 -0.007 0.000 2.176 116 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.252 116 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.252 116 G C 0.036 174.866 174.900 -0.116 0.000 1.024 116 G CA -0.289 44.779 45.100 -0.053 0.000 0.755 116 G HN 0.163 nan 8.290 nan 0.000 0.507 117 I N 1.389 121.892 120.570 -0.111 0.000 2.315 117 I HA 0.518 4.687 4.170 -0.001 0.000 0.291 117 I C 1.205 177.266 176.117 -0.094 0.000 1.006 117 I CA -0.368 60.825 61.300 -0.178 0.000 1.265 117 I CB 0.717 38.580 38.000 -0.229 0.000 1.387 117 I HN 0.158 nan 8.210 nan 0.000 0.475 118 G N 4.122 112.857 108.800 -0.108 0.000 2.477 118 G HA2 0.272 4.231 3.960 -0.001 0.000 0.304 118 G HA3 0.272 4.231 3.960 -0.001 0.000 0.304 118 G C 0.497 175.348 174.900 -0.081 0.000 1.175 118 G CA -0.360 44.694 45.100 -0.077 0.000 0.907 118 G HN 0.592 nan 8.290 nan 0.000 0.509 119 D N 0.342 120.702 120.400 -0.066 0.000 2.158 119 D HA -0.144 4.496 4.640 -0.001 0.000 0.197 119 D C 1.964 178.191 176.300 -0.121 0.000 0.995 119 D CA 1.606 55.563 54.000 -0.072 0.000 0.846 119 D CB 0.021 40.788 40.800 -0.055 0.000 0.941 119 D HN 0.595 nan 8.370 nan 0.000 0.456 120 D N 0.246 120.570 120.400 -0.127 0.000 2.371 120 D HA -0.114 4.525 4.640 -0.001 0.000 0.221 120 D C 0.786 176.932 176.300 -0.257 0.000 0.986 120 D CA 0.474 54.366 54.000 -0.180 0.000 0.899 120 D CB -0.268 40.464 40.800 -0.112 0.000 0.902 120 D HN 0.084 nan 8.370 nan 0.000 0.530 121 D N 0.187 120.475 120.400 -0.187 0.000 2.348 121 D HA 0.034 4.673 4.640 -0.001 0.000 0.211 121 D C 0.293 176.528 176.300 -0.109 0.000 0.998 121 D CA 0.124 54.053 54.000 -0.120 0.000 0.873 121 D CB 0.759 41.483 40.800 -0.128 0.000 0.925 121 D HN 0.122 nan 8.370 nan 0.000 0.524 122 V N 1.316 121.104 119.914 -0.209 0.000 2.439 122 V HA 0.284 4.403 4.120 -0.001 0.000 0.282 122 V C -0.472 175.506 176.094 -0.194 0.000 1.039 122 V CA -0.542 61.735 62.300 -0.038 0.000 0.913 122 V CB 1.076 32.893 31.823 -0.009 0.000 0.983 122 V HN -0.136 nan 8.190 nan 0.000 0.460 123 F N 3.198 123.314 119.950 0.277 0.000 2.445 123 F HA 0.498 5.024 4.527 -0.001 0.000 0.348 123 F C 0.072 176.101 175.800 0.381 0.000 1.125 123 F CA -0.789 57.410 58.000 0.332 0.000 0.983 123 F CB 1.727 41.014 39.000 0.478 0.000 1.198 123 F HN 0.172 nan 8.300 nan 0.000 0.436 124 V N 3.363 123.558 119.914 0.469 0.000 2.555 124 V HA 0.461 4.580 4.120 -0.001 0.000 0.286 124 V C 0.197 176.585 176.094 0.490 0.000 1.044 124 V CA -0.237 62.344 62.300 0.470 0.000 1.026 124 V CB 1.036 33.076 31.823 0.360 0.000 0.981 124 V HN 0.867 nan 8.190 nan 0.000 0.480 125 S N 2.068 118.026 115.700 0.429 0.000 2.745 125 S HA 0.438 4.907 4.470 -0.001 0.000 0.306 125 S C 0.177 174.986 174.600 0.348 0.000 1.137 125 S CA -0.484 57.897 58.200 0.302 0.000 0.900 125 S CB 1.802 65.065 63.200 0.104 0.000 1.176 125 S HN 0.773 nan 8.310 nan 0.000 0.520 126 D N -0.480 120.101 120.400 0.300 0.000 2.352 126 D HA 0.383 5.022 4.640 -0.001 0.000 0.236 126 D C 0.740 177.133 176.300 0.155 0.000 1.148 126 D CA 0.362 54.520 54.000 0.263 0.000 0.844 126 D CB -0.592 40.388 40.800 0.300 0.000 0.933 126 D HN 1.186 nan 8.370 nan 0.000 0.507 127 G N -1.316 107.554 108.800 0.118 0.000 2.334 127 G HA2 0.242 4.201 3.960 -0.001 0.000 0.566 127 G HA3 0.242 4.201 3.960 -0.001 0.000 0.566 127 G C 0.418 175.311 174.900 -0.011 0.000 1.413 127 G CA -0.230 44.902 45.100 0.053 0.000 0.993 127 G HN 0.289 nan 8.290 nan 0.000 0.642 128 A N 0.236 123.012 122.820 -0.074 0.000 1.969 128 A HA 0.085 4.404 4.320 -0.001 0.000 0.218 128 A C 2.176 179.767 177.584 0.012 0.000 1.169 128 A CA 2.365 54.353 52.037 -0.082 0.000 0.635 128 A CB -0.346 18.546 19.000 -0.181 0.000 0.810 128 A HN 0.918 nan 8.150 nan 0.000 0.445 129 K N -0.380 120.041 120.400 0.036 0.000 2.057 129 K HA -0.179 4.140 4.320 -0.001 0.000 0.207 129 K C 1.931 178.552 176.600 0.036 0.000 1.049 129 K CA 1.869 58.212 56.287 0.093 0.000 0.931 129 K CB -0.426 32.133 32.500 0.099 0.000 0.714 129 K HN 0.576 nan 8.250 nan 0.000 0.440 130 C N 1.196 120.497 119.300 0.001 0.000 2.440 130 C HA -0.043 4.416 4.460 -0.001 0.000 0.278 130 C C 2.159 177.123 174.990 -0.044 0.000 1.295 130 C CA 0.376 59.369 59.018 -0.040 0.000 1.738 130 C CB -0.795 26.901 27.740 -0.074 0.000 1.987 130 C HN 0.540 nan 8.230 nan 0.000 0.492 131 D N 1.120 121.511 120.400 -0.015 0.000 2.117 131 D HA -0.072 4.567 4.640 -0.001 0.000 0.197 131 D C 1.922 178.268 176.300 0.077 0.000 0.987 131 D CA 1.067 55.094 54.000 0.045 0.000 0.829 131 D CB -0.372 40.452 40.800 0.039 0.000 0.961 131 D HN 0.459 nan 8.370 nan 0.000 0.460 132 I N 0.541 121.171 120.570 0.101 0.000 2.151 132 I HA -0.281 3.888 4.170 -0.001 0.000 0.243 132 I C 2.359 178.555 176.117 0.132 0.000 1.080 132 I CA 1.000 62.406 61.300 0.178 0.000 1.339 132 I CB -0.105 38.042 38.000 0.245 0.000 1.039 132 I HN -0.107 nan 8.210 nan 0.000 0.409 133 S N -0.119 115.617 115.700 0.060 0.000 2.406 133 S HA -0.055 4.414 4.470 -0.001 0.000 0.228 133 S C 2.025 176.642 174.600 0.027 0.000 1.020 133 S CA 0.825 59.042 58.200 0.028 0.000 0.965 133 S CB -0.146 63.041 63.200 -0.022 0.000 0.798 133 S HN 0.338 nan 8.310 nan 0.000 0.488 134 R N 0.702 121.216 120.500 0.023 0.000 2.092 134 R HA 0.072 4.411 4.340 -0.001 0.000 0.231 134 R C 2.101 178.451 176.300 0.084 0.000 1.119 134 R CA 0.876 56.987 56.100 0.018 0.000 0.970 134 R CB -0.457 29.810 30.300 -0.054 0.000 0.864 134 R HN 0.354 nan 8.270 nan 0.000 0.440 135 L N 0.696 121.984 121.223 0.109 0.000 2.083 135 L HA -0.216 4.124 4.340 -0.001 0.000 0.209 135 L C 2.607 179.352 176.870 -0.209 0.000 1.083 135 L CA 1.199 55.951 54.840 -0.147 0.000 0.752 135 L CB -0.382 41.552 42.059 -0.209 0.000 0.899 135 L HN 0.202 nan 8.230 nan 0.000 0.433 136 Q N -0.483 119.367 119.800 0.083 0.000 2.119 136 Q HA -0.132 4.207 4.340 -0.001 0.000 0.201 136 Q C 2.441 178.516 176.000 0.124 0.000 0.972 136 Q CA 1.278 57.209 55.803 0.212 0.000 0.847 136 Q CB -0.333 28.523 28.738 0.198 0.000 0.903 136 Q HN 0.400 nan 8.270 nan 0.000 0.433 137 V N 1.472 121.415 119.914 0.049 0.000 2.287 137 V HA -0.290 3.829 4.120 -0.001 0.000 0.248 137 V C 2.417 178.524 176.094 0.022 0.000 1.053 137 V CA 1.914 64.229 62.300 0.026 0.000 1.027 137 V CB -0.635 31.186 31.823 -0.005 0.000 0.646 137 V HN 0.382 nan 8.190 nan 0.000 0.447 138 M N -0.778 118.808 119.600 -0.023 0.000 2.067 138 M HA -0.198 4.281 4.480 -0.001 0.000 0.260 138 M C 2.170 178.504 176.300 0.056 0.000 1.069 138 M CA 2.256 57.538 55.300 -0.030 0.000 1.117 138 M CB -0.243 32.300 32.600 -0.095 0.000 1.334 138 M HN 0.315 nan 8.290 nan 0.000 0.407 139 F N 0.779 120.813 119.950 0.139 0.000 2.134 139 F HA 0.137 4.664 4.527 -0.001 0.000 0.299 139 F C 1.907 177.743 175.800 0.060 0.000 1.097 139 F CA 1.148 59.224 58.000 0.127 0.000 1.264 139 F CB -1.404 37.670 39.000 0.124 0.000 1.001 139 F HN 0.427 nan 8.300 nan 0.000 0.479 140 G N -0.535 108.406 108.800 0.235 0.000 2.698 140 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.225 140 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.225 140 G C 0.756 175.720 174.900 0.106 0.000 1.345 140 G CA 0.019 45.191 45.100 0.119 0.000 0.871 140 G HN 0.541 nan 8.290 nan 0.000 0.540 141 S N -1.112 114.622 115.700 0.058 0.000 2.496 141 S HA 0.017 4.486 4.470 -0.001 0.000 0.224 141 S C 1.358 175.980 174.600 0.036 0.000 0.996 141 S CA 1.325 59.551 58.200 0.043 0.000 0.927 141 S CB -0.089 63.126 63.200 0.024 0.000 0.774 141 S HN 0.684 nan 8.310 nan 0.000 0.524 142 N N 1.419 120.137 118.700 0.031 0.000 2.322 142 N HA 0.174 4.913 4.740 -0.001 0.000 0.194 142 N C 0.115 175.632 175.510 0.012 0.000 1.126 142 N CA 0.071 53.130 53.050 0.015 0.000 0.845 142 N CB 0.729 39.215 38.487 -0.001 0.000 0.976 142 N HN 0.486 nan 8.380 nan 0.000 0.475 143 V N -1.282 118.646 119.914 0.023 0.000 2.837 143 V HA 0.585 4.704 4.120 -0.001 0.000 0.310 143 V C 0.441 176.534 176.094 -0.002 0.000 1.059 143 V CA -0.818 61.479 62.300 -0.006 0.000 1.004 143 V CB 1.417 33.211 31.823 -0.049 0.000 1.045 143 V HN 0.042 nan 8.190 nan 0.000 0.465 144 T N 1.962 116.504 114.554 -0.020 0.000 2.895 144 T HA 0.799 5.148 4.350 -0.001 0.000 0.283 144 T C -0.316 174.379 174.700 -0.009 0.000 1.014 144 T CA -0.464 61.636 62.100 0.000 0.000 1.037 144 T CB 1.542 70.413 68.868 0.005 0.000 1.006 144 T HN 1.364 nan 8.240 nan 0.000 0.468 145 I N -0.788 119.800 120.570 0.029 0.000 2.846 145 I HA 0.934 5.103 4.170 -0.001 0.000 0.307 145 I C -0.702 175.447 176.117 0.053 0.000 1.053 145 I CA -1.648 59.691 61.300 0.066 0.000 1.050 145 I CB 1.875 40.006 38.000 0.218 0.000 1.239 145 I HN 0.906 nan 8.210 nan 0.000 0.439 146 A N 4.284 127.151 122.820 0.078 0.000 2.350 146 A HA 0.880 5.200 4.320 -0.001 0.000 0.324 146 A C -0.582 177.061 177.584 0.097 0.000 1.118 146 A CA -0.458 51.613 52.037 0.057 0.000 0.783 146 A CB 1.626 20.676 19.000 0.083 0.000 1.236 146 A HN 1.336 nan 8.150 nan 0.000 0.457 147 V N -0.154 119.765 119.914 0.007 0.000 3.078 147 V HA 0.623 4.742 4.120 -0.001 0.000 0.311 147 V C -0.544 175.563 176.094 0.021 0.000 1.138 147 V CA -1.024 61.300 62.300 0.039 0.000 1.007 147 V CB 1.223 33.037 31.823 -0.016 0.000 1.045 147 V HN 0.945 nan 8.190 nan 0.000 0.432 148 Q N 1.327 121.139 119.800 0.020 0.000 2.392 148 Q HA 0.383 4.722 4.340 -0.001 0.000 0.262 148 Q C -0.933 175.092 176.000 0.041 0.000 1.003 148 Q CA 0.375 56.161 55.803 -0.029 0.000 0.888 148 Q CB 0.686 29.323 28.738 -0.169 0.000 1.260 148 Q HN 0.863 nan 8.270 nan 0.000 0.435 149 D N 2.812 123.252 120.400 0.066 0.000 2.469 149 D HA 0.298 4.937 4.640 -0.001 0.000 0.251 149 D C -2.582 173.755 176.300 0.062 0.000 1.173 149 D CA -2.088 52.000 54.000 0.147 0.000 0.882 149 D CB 1.237 42.195 40.800 0.263 0.000 1.129 149 D HN 0.157 nan 8.370 nan 0.000 0.549 150 P HA 0.364 nan 4.420 nan 0.000 0.278 150 P C -0.895 176.360 177.300 -0.075 0.000 1.258 150 P CA -0.444 62.660 63.100 0.007 0.000 0.811 150 P CB 1.381 33.038 31.700 -0.072 0.000 1.063 151 S N -0.601 115.125 115.700 0.043 0.000 2.611 151 S HA 0.270 4.739 4.470 -0.001 0.000 0.268 151 S C -1.042 173.664 174.600 0.177 0.000 1.156 151 S CA -0.828 57.400 58.200 0.047 0.000 0.817 151 S CB 0.187 63.477 63.200 0.151 0.000 1.122 151 S HN 0.395 nan 8.310 nan 0.000 0.466 152 Y N 3.900 124.167 120.300 -0.054 0.000 2.865 152 Y HA 0.191 4.740 4.550 -0.001 0.000 0.338 152 Y C -1.532 174.188 175.900 -0.301 0.000 1.269 152 Y CA -0.894 57.136 58.100 -0.116 0.000 1.585 152 Y CB 0.459 38.715 38.460 -0.340 0.000 1.224 152 Y HN 0.519 nan 8.280 nan 0.000 0.554 153 P HA -0.106 nan 4.420 nan 0.000 0.230 153 P C 0.938 178.000 177.300 -0.397 0.000 1.158 153 P CA 1.589 64.459 63.100 -0.383 0.000 0.769 153 P CB -0.051 31.390 31.700 -0.432 0.000 0.807 154 A N -0.632 121.738 122.820 -0.750 0.000 1.972 154 A HA -0.201 4.118 4.320 -0.001 0.000 0.219 154 A C 1.922 179.287 177.584 -0.364 0.000 1.169 154 A CA 1.164 52.895 52.037 -0.510 0.000 0.635 154 A CB -1.548 17.102 19.000 -0.584 0.000 0.810 154 A HN 0.077 nan 8.150 nan 0.000 0.446 155 Y N -0.312 119.778 120.300 -0.349 0.000 2.114 155 Y HA -0.138 4.411 4.550 -0.001 0.000 0.284 155 Y C 2.598 178.211 175.900 -0.479 0.000 1.143 155 Y CA 0.775 58.520 58.100 -0.592 0.000 1.135 155 Y CB -1.372 36.645 38.460 -0.738 0.000 0.980 155 Y HN 0.066 nan 8.280 nan 0.000 0.499 156 V N 0.469 120.283 119.914 -0.167 0.000 2.295 156 V HA -0.261 3.859 4.120 -0.001 0.000 0.246 156 V C 1.910 177.882 176.094 -0.203 0.000 1.049 156 V CA 2.259 64.474 62.300 -0.141 0.000 1.024 156 V CB -0.631 31.191 31.823 -0.001 0.000 0.648 156 V HN 0.296 nan 8.190 nan 0.000 0.447 157 D N 0.283 120.574 120.400 -0.182 0.000 2.144 157 D HA -0.130 4.509 4.640 -0.001 0.000 0.199 157 D C 2.429 178.609 176.300 -0.200 0.000 0.984 157 D CA 1.726 55.606 54.000 -0.200 0.000 0.834 157 D CB -0.348 40.381 40.800 -0.117 0.000 0.955 157 D HN 0.588 nan 8.370 nan 0.000 0.465 158 S N -0.414 115.178 115.700 -0.179 0.000 2.383 158 S HA -0.155 4.314 4.470 -0.001 0.000 0.227 158 S C 2.082 176.627 174.600 -0.091 0.000 1.026 158 S CA 1.440 59.564 58.200 -0.126 0.000 0.981 158 S CB -0.393 62.753 63.200 -0.090 0.000 0.818 158 S HN 0.134 nan 8.310 nan 0.000 0.472 159 S N 0.967 116.599 115.700 -0.112 0.000 2.368 159 S HA -0.080 4.389 4.470 -0.001 0.000 0.225 159 S C 1.848 176.386 174.600 -0.103 0.000 1.030 159 S CA 1.435 59.595 58.200 -0.068 0.000 0.999 159 S CB -0.722 62.432 63.200 -0.077 0.000 0.844 159 S HN 0.455 nan 8.310 nan 0.000 0.459 160 V N 1.999 121.787 119.914 -0.210 0.000 2.295 160 V HA -0.136 3.983 4.120 -0.001 0.000 0.246 160 V C 2.304 178.315 176.094 -0.139 0.000 1.049 160 V CA 1.961 64.111 62.300 -0.250 0.000 1.024 160 V CB -0.700 30.816 31.823 -0.512 0.000 0.648 160 V HN 0.506 nan 8.190 nan 0.000 0.447 161 I N -0.560 119.933 120.570 -0.128 0.000 2.248 161 I HA -0.288 3.882 4.170 -0.001 0.000 0.248 161 I C 2.314 178.405 176.117 -0.044 0.000 1.107 161 I CA 1.483 62.735 61.300 -0.080 0.000 1.373 161 I CB -0.291 37.658 38.000 -0.086 0.000 1.055 161 I HN 0.276 nan 8.210 nan 0.000 0.418 162 M N -0.126 119.456 119.600 -0.029 0.000 2.618 162 M HA 0.129 4.608 4.480 -0.001 0.000 0.240 162 M C 1.536 177.841 176.300 0.009 0.000 1.123 162 M CA 0.773 56.076 55.300 0.004 0.000 1.060 162 M CB -0.879 31.746 32.600 0.041 0.000 1.535 162 M HN 0.455 nan 8.290 nan 0.000 0.507 163 G N 0.504 109.301 108.800 -0.006 0.000 2.132 163 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.234 163 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.234 163 G C 0.685 175.594 174.900 0.015 0.000 0.989 163 G CA 0.311 45.413 45.100 0.004 0.000 0.676 163 G HN 0.505 nan 8.290 nan 0.000 0.522 164 Q N 0.023 119.832 119.800 0.014 0.000 2.444 164 Q HA 0.210 4.549 4.340 -0.001 0.000 0.206 164 Q C 1.415 177.433 176.000 0.029 0.000 0.948 164 Q CA 1.147 56.966 55.803 0.028 0.000 0.946 164 Q CB 0.412 29.175 28.738 0.042 0.000 1.027 164 Q HN 0.778 nan 8.270 nan 0.000 0.513 165 T N -4.238 110.332 114.554 0.027 0.000 2.887 165 T HA 0.689 5.039 4.350 -0.001 0.000 0.292 165 T C 0.352 175.103 174.700 0.085 0.000 1.087 165 T CA -0.503 61.634 62.100 0.061 0.000 1.009 165 T CB 1.845 70.743 68.868 0.049 0.000 1.203 165 T HN 0.068 nan 8.240 nan 0.000 0.518 166 G N -0.061 108.816 108.800 0.129 0.000 2.543 166 G HA2 0.539 4.498 3.960 -0.001 0.000 0.267 166 G HA3 0.539 4.498 3.960 -0.001 0.000 0.267 166 G C -0.440 174.588 174.900 0.214 0.000 1.406 166 G CA -0.687 44.492 45.100 0.133 0.000 1.048 166 G HN 0.768 nan 8.290 nan 0.000 0.548 167 Q N -1.073 118.837 119.800 0.185 0.000 2.396 167 Q HA 0.212 4.551 4.340 -0.001 0.000 0.221 167 Q C -0.884 175.275 176.000 0.264 0.000 1.025 167 Q CA -0.537 55.408 55.803 0.236 0.000 0.946 167 Q CB 1.301 30.122 28.738 0.138 0.000 1.224 167 Q HN 0.326 nan 8.270 nan 0.000 0.539 168 F N 2.420 122.390 119.950 0.034 0.000 2.504 168 F HA 0.038 4.565 4.527 -0.001 0.000 0.369 168 F C 0.488 176.192 175.800 -0.160 0.000 1.082 168 F CA -0.282 57.547 58.000 -0.285 0.000 1.216 168 F CB 0.368 39.097 39.000 -0.452 0.000 1.108 168 F HN 0.305 nan 8.300 nan 0.000 0.554 169 N N 3.941 122.254 118.700 -0.646 0.000 2.439 169 N HA 0.052 4.791 4.740 -0.001 0.000 0.249 169 N C 0.742 175.864 175.510 -0.647 0.000 1.003 169 N CA 0.219 52.994 53.050 -0.458 0.000 0.942 169 N CB 1.255 39.550 38.487 -0.320 0.000 1.115 169 N HN 0.773 nan 8.380 nan 0.000 0.505 170 T N -0.012 114.341 114.554 -0.335 0.000 3.055 170 T HA -0.017 4.332 4.350 -0.001 0.000 0.265 170 T C 0.903 175.498 174.700 -0.176 0.000 1.111 170 T CA 0.608 62.580 62.100 -0.213 0.000 1.118 170 T CB 0.151 69.013 68.868 -0.010 0.000 0.909 170 T HN 0.279 nan 8.240 nan 0.000 0.501 171 D N 1.862 122.159 120.400 -0.171 0.000 2.117 171 D HA -0.070 4.570 4.640 -0.001 0.000 0.197 171 D C 2.223 178.431 176.300 -0.154 0.000 0.987 171 D CA 1.697 55.620 54.000 -0.128 0.000 0.829 171 D CB -0.084 40.652 40.800 -0.106 0.000 0.961 171 D HN 0.568 nan 8.370 nan 0.000 0.460 172 V N -3.151 116.622 119.914 -0.234 0.000 3.643 172 V HA 0.170 4.290 4.120 -0.001 0.000 0.280 172 V C 0.256 176.150 176.094 -0.333 0.000 1.351 172 V CA -0.201 61.953 62.300 -0.243 0.000 1.073 172 V CB 0.297 31.980 31.823 -0.233 0.000 0.863 172 V HN -0.041 nan 8.190 nan 0.000 0.436 173 Q N 0.506 120.024 119.800 -0.471 0.000 2.478 173 Q HA -0.188 4.151 4.340 -0.001 0.000 0.286 173 Q C -0.265 175.324 176.000 -0.685 0.000 1.299 173 Q CA 1.195 56.666 55.803 -0.554 0.000 0.826 173 Q CB -1.648 27.030 28.738 -0.100 0.000 1.199 173 Q HN 0.866 nan 8.270 nan 0.000 0.451 174 K N -0.178 119.664 120.400 -0.929 0.000 2.426 174 K HA 0.521 4.840 4.320 -0.001 0.000 0.251 174 K C -0.738 175.608 176.600 -0.424 0.000 0.941 174 K CA -0.754 55.161 56.287 -0.621 0.000 0.808 174 K CB 1.237 33.352 32.500 -0.641 0.000 1.265 174 K HN -0.072 nan 8.250 nan 0.000 0.432 175 Y N 0.350 120.789 120.300 0.232 0.000 2.346 175 Y HA 0.190 4.739 4.550 -0.001 0.000 0.330 175 Y C 1.387 177.397 175.900 0.184 0.000 1.178 175 Y CA 0.082 58.327 58.100 0.241 0.000 1.331 175 Y CB 0.758 39.395 38.460 0.294 0.000 1.253 175 Y HN 0.710 nan 8.280 nan 0.000 0.529 176 G N 1.830 110.780 108.800 0.251 0.000 2.484 176 G HA2 0.085 4.044 3.960 -0.001 0.000 0.235 176 G HA3 0.085 4.044 3.960 -0.001 0.000 0.235 176 G C 0.386 175.392 174.900 0.177 0.000 1.282 176 G CA 0.139 45.338 45.100 0.165 0.000 0.857 176 G HN 0.947 nan 8.290 nan 0.000 0.571 177 N N -1.411 117.370 118.700 0.135 0.000 2.948 177 N HA -0.193 4.546 4.740 -0.001 0.000 0.239 177 N C -0.039 175.532 175.510 0.102 0.000 0.954 177 N CA 1.001 54.113 53.050 0.103 0.000 0.941 177 N CB -1.420 37.115 38.487 0.080 0.000 1.101 177 N HN 0.544 nan 8.380 nan 0.000 0.579 178 I N 0.959 121.616 120.570 0.145 0.000 2.336 178 I HA 0.181 4.350 4.170 -0.001 0.000 0.292 178 I C 0.535 176.701 176.117 0.081 0.000 0.991 178 I CA -0.731 60.598 61.300 0.048 0.000 1.227 178 I CB 1.472 39.419 38.000 -0.088 0.000 1.366 178 I HN 0.078 nan 8.210 nan 0.000 0.466 179 E N 6.084 126.299 120.200 0.025 0.000 2.070 179 E HA 0.143 4.492 4.350 -0.001 0.000 0.282 179 E C -1.524 175.094 176.600 0.029 0.000 1.104 179 E CA -0.098 56.349 56.400 0.079 0.000 0.876 179 E CB 0.178 29.923 29.700 0.075 0.000 1.055 179 E HN 0.207 nan 8.360 nan 0.000 0.401 180 Y N 4.628 124.962 120.300 0.057 0.000 2.425 180 Y HA 0.219 4.768 4.550 -0.001 0.000 0.347 180 Y C 0.274 176.186 175.900 0.021 0.000 0.976 180 Y CA -0.423 57.707 58.100 0.051 0.000 1.190 180 Y CB 0.716 39.206 38.460 0.049 0.000 1.136 180 Y HN 0.381 nan 8.280 nan 0.000 0.517 181 M N 4.598 124.264 119.600 0.110 0.000 2.108 181 M HA 0.284 4.763 4.480 -0.001 0.000 0.347 181 M C 0.116 176.425 176.300 0.016 0.000 1.326 181 M CA -0.134 55.180 55.300 0.024 0.000 1.126 181 M CB 0.637 33.212 32.600 -0.042 0.000 1.606 181 M HN 0.516 nan 8.290 nan 0.000 0.462 182 R N 2.422 122.927 120.500 0.008 0.000 2.370 182 R HA 0.236 4.575 4.340 -0.001 0.000 0.309 182 R C -1.371 174.910 176.300 -0.031 0.000 1.059 182 R CA 0.049 56.153 56.100 0.007 0.000 0.981 182 R CB 0.317 30.619 30.300 0.003 0.000 0.972 182 R HN 0.770 nan 8.270 nan 0.000 0.437 183 C N 4.262 123.557 119.300 -0.008 0.000 2.293 183 C HA 0.486 4.945 4.460 -0.001 0.000 0.323 183 C C 0.082 175.060 174.990 -0.019 0.000 1.240 183 C CA -0.637 58.386 59.018 0.010 0.000 1.497 183 C CB 0.501 28.281 27.740 0.066 0.000 2.171 183 C HN 0.890 nan 8.230 nan 0.000 0.465 184 T N 0.518 114.904 114.554 -0.280 0.000 2.916 184 T HA 0.498 4.847 4.350 -0.001 0.000 0.292 184 T C -2.332 171.655 174.700 -1.189 0.000 1.055 184 T CA -1.661 60.128 62.100 -0.518 0.000 1.009 184 T CB 1.940 70.654 68.868 -0.258 0.000 1.118 184 T HN 0.126 nan 8.240 nan 0.000 0.497 185 P HA -0.114 nan 4.420 nan 0.000 0.216 185 P C 1.153 178.147 177.300 -0.511 0.000 1.154 185 P CA 1.244 63.706 63.100 -1.063 0.000 0.865 185 P CB 0.077 31.401 31.700 -0.627 0.000 0.789 186 E N -0.450 119.550 120.200 -0.334 0.000 2.110 186 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 186 E C 1.320 177.832 176.600 -0.147 0.000 0.988 186 E CA 1.425 57.721 56.400 -0.172 0.000 0.804 186 E CB -0.935 28.694 29.700 -0.118 0.000 0.745 186 E HN 0.450 nan 8.360 nan 0.000 0.458 187 N N -0.717 117.869 118.700 -0.189 0.000 2.314 187 N HA 0.091 4.830 4.740 -0.001 0.000 0.200 187 N C 0.727 176.198 175.510 -0.065 0.000 1.135 187 N CA 0.620 53.613 53.050 -0.095 0.000 0.835 187 N CB 0.482 38.934 38.487 -0.057 0.000 0.989 187 N HN 0.119 nan 8.380 nan 0.000 0.478 188 G N -0.061 108.639 108.800 -0.166 0.000 2.198 188 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.260 188 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.260 188 G C 0.055 175.017 174.900 0.103 0.000 1.025 188 G CA -0.022 45.053 45.100 -0.043 0.000 0.769 188 G HN 0.347 nan 8.290 nan 0.000 0.507 189 F N -3.223 116.732 119.950 0.008 0.000 3.093 189 F HA -0.165 4.361 4.527 -0.001 0.000 0.287 189 F C 0.559 176.419 175.800 0.100 0.000 0.882 189 F CA 1.357 59.343 58.000 -0.023 0.000 1.063 189 F CB -1.999 36.941 39.000 -0.099 0.000 1.097 189 F HN 0.586 nan 8.300 nan 0.000 0.604 190 F N 2.863 122.864 119.950 0.085 0.000 2.529 190 F HA 0.672 5.198 4.527 -0.001 0.000 0.320 190 F C -2.425 173.400 175.800 0.042 0.000 1.118 190 F CA -2.749 55.315 58.000 0.107 0.000 0.915 190 F CB 1.663 40.729 39.000 0.111 0.000 1.161 190 F HN -0.294 nan 8.300 nan 0.000 0.445 191 P HA 0.051 nan 4.420 nan 0.000 0.274 191 P C -1.080 176.042 177.300 -0.297 0.000 1.237 191 P CA -0.140 62.746 63.100 -0.357 0.000 0.793 191 P CB 0.845 32.307 31.700 -0.397 0.000 0.977 192 D N 1.732 122.041 120.400 -0.152 0.000 2.374 192 D HA 0.076 4.715 4.640 -0.001 0.000 0.240 192 D C 1.205 177.413 176.300 -0.154 0.000 1.229 192 D CA -0.106 53.841 54.000 -0.088 0.000 0.895 192 D CB -0.095 40.681 40.800 -0.040 0.000 1.046 192 D HN 0.205 nan 8.370 nan 0.000 0.498 193 L N 2.741 123.838 121.223 -0.209 0.000 2.275 193 L HA -0.159 4.180 4.340 -0.001 0.000 0.215 193 L C 2.423 179.210 176.870 -0.140 0.000 1.119 193 L CA 0.871 55.479 54.840 -0.387 0.000 0.790 193 L CB -0.391 41.324 42.059 -0.574 0.000 0.919 193 L HN 0.387 nan 8.230 nan 0.000 0.443 194 S N -1.285 114.401 115.700 -0.024 0.000 2.442 194 S HA -0.162 4.307 4.470 -0.001 0.000 0.236 194 S C 1.818 176.444 174.600 0.044 0.000 1.007 194 S CA 1.374 59.602 58.200 0.045 0.000 0.965 194 S CB -0.648 62.574 63.200 0.037 0.000 0.773 194 S HN 0.571 nan 8.310 nan 0.000 0.504 195 T N -1.148 113.409 114.554 0.005 0.000 3.069 195 T HA 0.403 4.752 4.350 -0.001 0.000 0.252 195 T C 0.189 174.904 174.700 0.025 0.000 1.053 195 T CA -0.362 61.746 62.100 0.014 0.000 0.964 195 T CB -0.090 68.776 68.868 -0.003 0.000 1.005 195 T HN 0.140 nan 8.240 nan 0.000 0.532 196 V N 2.182 122.111 119.914 0.025 0.000 2.407 196 V HA 0.670 4.789 4.120 -0.001 0.000 0.278 196 V C 1.232 177.450 176.094 0.206 0.000 1.037 196 V CA -0.871 61.465 62.300 0.060 0.000 0.900 196 V CB 0.905 32.671 31.823 -0.095 0.000 0.983 196 V HN 0.568 nan 8.190 nan 0.000 0.459 197 G N 3.816 112.708 108.800 0.153 0.000 2.569 197 G HA2 0.262 4.221 3.960 -0.001 0.000 0.249 197 G HA3 0.262 4.221 3.960 -0.001 0.000 0.249 197 G C 0.045 175.037 174.900 0.153 0.000 1.216 197 G CA -0.450 44.730 45.100 0.134 0.000 0.845 197 G HN 0.612 nan 8.290 nan 0.000 0.568 198 R N 0.116 120.652 120.500 0.061 0.000 2.442 198 R HA 0.257 4.596 4.340 -0.001 0.000 0.291 198 R C 0.175 176.473 176.300 -0.003 0.000 1.069 198 R CA 0.392 56.477 56.100 -0.025 0.000 1.022 198 R CB 0.200 30.447 30.300 -0.089 0.000 0.976 198 R HN 0.704 nan 8.270 nan 0.000 0.443 199 T N -0.789 113.756 114.554 -0.017 0.000 2.864 199 T HA 0.259 4.609 4.350 -0.001 0.000 0.289 199 T C 0.502 175.161 174.700 -0.069 0.000 1.082 199 T CA -0.936 61.151 62.100 -0.021 0.000 1.009 199 T CB 1.583 70.455 68.868 0.008 0.000 1.234 199 T HN 0.427 nan 8.240 nan 0.000 0.526 200 D N -0.031 120.318 120.400 -0.085 0.000 2.103 200 D HA 0.074 4.713 4.640 -0.001 0.000 0.199 200 D C 0.652 176.824 176.300 -0.213 0.000 0.978 200 D CA 1.178 55.098 54.000 -0.133 0.000 0.829 200 D CB 0.178 40.897 40.800 -0.136 0.000 0.981 200 D HN 0.396 nan 8.370 nan 0.000 0.464 201 I N 0.969 121.393 120.570 -0.243 0.000 2.530 201 I HA 0.366 4.535 4.170 -0.001 0.000 0.297 201 I C -0.019 175.961 176.117 -0.228 0.000 1.011 201 I CA -0.766 60.309 61.300 -0.376 0.000 1.107 201 I CB 2.010 39.654 38.000 -0.593 0.000 1.285 201 I HN -0.189 nan 8.210 nan 0.000 0.436 202 I N 5.035 125.448 120.570 -0.261 0.000 2.439 202 I HA 0.303 4.472 4.170 -0.001 0.000 0.283 202 I C -0.838 175.151 176.117 -0.213 0.000 1.023 202 I CA -0.377 60.863 61.300 -0.101 0.000 1.100 202 I CB 1.228 39.249 38.000 0.036 0.000 1.238 202 I HN 0.230 nan 8.210 nan 0.000 0.445 203 F N 6.307 126.205 119.950 -0.087 0.000 2.438 203 F HA 0.383 4.909 4.527 -0.001 0.000 0.356 203 F C -0.207 175.521 175.800 -0.120 0.000 1.099 203 F CA -0.113 57.740 58.000 -0.244 0.000 1.185 203 F CB 0.695 39.358 39.000 -0.561 0.000 1.115 203 F HN 0.274 nan 8.300 nan 0.000 0.526 204 F N 4.250 124.133 119.950 -0.112 0.000 2.562 204 F HA 0.455 4.981 4.527 -0.001 0.000 0.319 204 F C -1.078 174.614 175.800 -0.179 0.000 1.154 204 F CA -1.114 56.850 58.000 -0.059 0.000 0.931 204 F CB 0.963 39.998 39.000 0.059 0.000 1.198 204 F HN 0.486 nan 8.300 nan 0.000 0.444 205 C N 5.073 124.085 119.300 -0.479 0.000 2.298 205 C HA 0.848 5.307 4.460 -0.001 0.000 0.323 205 C C -0.676 174.062 174.990 -0.420 0.000 1.284 205 C CA -0.089 58.727 59.018 -0.335 0.000 1.577 205 C CB -0.082 27.630 27.740 -0.046 0.000 2.249 205 C HN 0.813 nan 8.230 nan 0.000 0.497 206 S N 6.700 122.202 115.700 -0.330 0.000 2.603 206 S HA 0.591 5.060 4.470 -0.001 0.000 0.274 206 S C -3.004 171.595 174.600 -0.003 0.000 1.168 206 S CA -0.655 57.492 58.200 -0.088 0.000 0.963 206 S CB 1.609 64.947 63.200 0.230 0.000 1.078 206 S HN 0.667 nan 8.310 nan 0.000 0.477 207 P HA 0.063 nan 4.420 nan 0.000 0.264 207 P C -0.553 176.695 177.300 -0.087 0.000 1.183 207 P CA -0.007 63.098 63.100 0.009 0.000 0.763 207 P CB 0.289 32.018 31.700 0.049 0.000 0.807 208 N N 3.347 121.923 118.700 -0.207 0.000 2.530 208 N HA 0.009 4.748 4.740 -0.001 0.000 0.273 208 N C -0.493 174.775 175.510 -0.402 0.000 1.173 208 N CA -0.083 52.781 53.050 -0.310 0.000 0.967 208 N CB 0.261 38.506 38.487 -0.403 0.000 1.109 208 N HN 0.254 nan 8.380 nan 0.000 0.453 209 N N 3.576 122.051 118.700 -0.376 0.000 2.444 209 N HA 0.326 5.065 4.740 -0.001 0.000 0.262 209 N C -2.149 172.969 175.510 -0.655 0.000 0.974 209 N CA -2.103 50.609 53.050 -0.564 0.000 0.933 209 N CB 1.564 39.839 38.487 -0.352 0.000 1.137 209 N HN 0.408 nan 8.380 nan 0.000 0.498 210 P HA 0.128 nan 4.420 nan 0.000 0.275 210 P C 0.659 177.118 177.300 -1.401 0.000 1.310 210 P CA 0.296 62.503 63.100 -1.489 0.000 0.904 210 P CB 0.289 30.663 31.700 -2.210 0.000 1.381 211 T N -4.708 108.999 114.554 -1.413 0.000 3.043 211 T HA 0.227 4.577 4.350 -0.001 0.000 0.263 211 T C 1.693 175.881 174.700 -0.854 0.000 1.094 211 T CA 1.094 62.263 62.100 -1.551 0.000 1.127 211 T CB -1.097 66.734 68.868 -1.729 0.000 0.905 211 T HN 0.171 nan 8.240 nan 0.000 0.490 212 G N 1.430 109.868 108.800 -0.604 0.000 2.179 212 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.260 212 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.260 212 G C 0.300 175.034 174.900 -0.277 0.000 0.977 212 G CA 0.008 44.896 45.100 -0.354 0.000 0.641 212 G HN 1.266 nan 8.290 nan 0.000 0.533 213 A N 0.114 122.716 122.820 -0.364 0.000 2.454 213 A HA 0.769 5.089 4.320 -0.001 0.000 0.260 213 A C 0.713 178.265 177.584 -0.053 0.000 1.106 213 A CA 1.032 52.963 52.037 -0.177 0.000 0.780 213 A CB 0.554 19.455 19.000 -0.165 0.000 1.044 213 A HN 2.048 nan 8.150 nan 0.000 0.498 214 A N 2.714 125.554 122.820 0.033 0.000 2.271 214 A HA 0.674 4.994 4.320 -0.001 0.000 0.317 214 A C 0.603 178.271 177.584 0.140 0.000 1.245 214 A CA 0.062 52.155 52.037 0.094 0.000 0.857 214 A CB 0.320 19.375 19.000 0.092 0.000 1.175 214 A HN 2.046 nan 8.150 nan 0.000 0.512 215 A N 2.706 125.661 122.820 0.226 0.000 2.511 215 A HA 0.516 4.836 4.320 -0.001 0.000 0.242 215 A C 1.061 178.681 177.584 0.060 0.000 1.069 215 A CA 0.552 52.697 52.037 0.180 0.000 0.763 215 A CB -0.376 18.829 19.000 0.342 0.000 1.001 215 A HN 1.492 nan 8.150 nan 0.000 0.498 216 T N -0.061 114.461 114.554 -0.054 0.000 2.788 216 T HA 0.272 4.621 4.350 -0.001 0.000 0.287 216 T C 1.256 175.911 174.700 -0.076 0.000 1.007 216 T CA 0.008 62.077 62.100 -0.052 0.000 1.005 216 T CB 0.644 69.465 68.868 -0.077 0.000 1.012 216 T HN 0.711 nan 8.240 nan 0.000 0.530 217 R N 0.221 120.692 120.500 -0.049 0.000 2.091 217 R HA -0.148 4.191 4.340 -0.001 0.000 0.238 217 R C 2.056 178.302 176.300 -0.089 0.000 1.136 217 R CA 1.875 57.943 56.100 -0.054 0.000 0.959 217 R CB -0.368 29.914 30.300 -0.029 0.000 0.856 217 R HN 0.766 nan 8.270 nan 0.000 0.437 218 E N 0.416 120.555 120.200 -0.102 0.000 2.077 218 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 218 E C 2.059 178.542 176.600 -0.196 0.000 0.989 218 E CA 1.488 57.818 56.400 -0.117 0.000 0.800 218 E CB -0.103 29.536 29.700 -0.101 0.000 0.746 218 E HN 0.468 nan 8.360 nan 0.000 0.452 219 Q N -0.154 119.442 119.800 -0.340 0.000 2.083 219 Q HA -0.011 4.329 4.340 -0.001 0.000 0.198 219 Q C 2.257 177.993 176.000 -0.440 0.000 0.969 219 Q CA 0.876 56.252 55.803 -0.711 0.000 0.838 219 Q CB -0.095 27.891 28.738 -1.253 0.000 0.900 219 Q HN 0.270 nan 8.270 nan 0.000 0.436 220 L N 0.072 121.138 121.223 -0.261 0.000 2.131 220 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 220 L C 2.321 179.117 176.870 -0.123 0.000 1.092 220 L CA 1.058 55.795 54.840 -0.170 0.000 0.759 220 L CB -0.617 41.360 42.059 -0.136 0.000 0.903 220 L HN 0.266 nan 8.230 nan 0.000 0.435 221 T N -0.929 113.564 114.554 -0.102 0.000 2.746 221 T HA -0.231 4.118 4.350 -0.001 0.000 0.267 221 T C 1.907 176.594 174.700 -0.023 0.000 1.039 221 T CA 1.273 63.338 62.100 -0.058 0.000 1.142 221 T CB -0.156 68.683 68.868 -0.048 0.000 0.866 221 T HN 0.381 nan 8.240 nan 0.000 0.444 222 Q N 0.076 119.865 119.800 -0.019 0.000 2.084 222 Q HA -0.077 4.263 4.340 -0.001 0.000 0.202 222 Q C 2.363 178.426 176.000 0.104 0.000 0.978 222 Q CA 1.120 56.956 55.803 0.055 0.000 0.844 222 Q CB -0.368 28.423 28.738 0.088 0.000 0.898 222 Q HN 0.320 nan 8.270 nan 0.000 0.426 223 L N 0.155 121.426 121.223 0.081 0.000 1.989 223 L HA -0.187 4.152 4.340 -0.001 0.000 0.211 223 L C 2.159 179.067 176.870 0.063 0.000 1.071 223 L CA 1.535 56.398 54.840 0.039 0.000 0.749 223 L CB -0.538 41.431 42.059 -0.149 0.000 0.890 223 L HN 0.003 nan 8.230 nan 0.000 0.431 224 V N -0.341 119.570 119.914 -0.005 0.000 2.343 224 V HA -0.294 3.825 4.120 -0.001 0.000 0.247 224 V C 2.491 178.603 176.094 0.030 0.000 1.051 224 V CA 2.074 64.368 62.300 -0.009 0.000 1.036 224 V CB -0.659 31.137 31.823 -0.044 0.000 0.654 224 V HN 0.514 nan 8.190 nan 0.000 0.451 225 E N -0.698 119.532 120.200 0.052 0.000 2.110 225 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 225 E C 2.014 178.670 176.600 0.094 0.000 0.988 225 E CA 1.505 57.940 56.400 0.058 0.000 0.804 225 E CB -0.219 29.516 29.700 0.058 0.000 0.745 225 E HN 0.650 nan 8.360 nan 0.000 0.458 226 F N 1.446 121.385 119.950 -0.019 0.000 2.113 226 F HA -0.149 4.377 4.527 -0.001 0.000 0.297 226 F C 2.201 177.982 175.800 -0.032 0.000 1.103 226 F CA 1.446 59.434 58.000 -0.019 0.000 1.248 226 F CB -0.283 38.708 39.000 -0.015 0.000 0.999 226 F HN -0.058 nan 8.300 nan 0.000 0.475 227 A N 0.184 123.025 122.820 0.036 0.000 1.902 227 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 227 A C 2.296 179.806 177.584 -0.124 0.000 1.181 227 A CA 1.878 53.860 52.037 -0.092 0.000 0.623 227 A CB -0.860 18.133 19.000 -0.011 0.000 0.818 227 A HN 0.480 nan 8.150 nan 0.000 0.443 228 K N 0.262 120.619 120.400 -0.070 0.000 2.026 228 K HA -0.216 4.103 4.320 -0.001 0.000 0.208 228 K C 2.164 178.711 176.600 -0.089 0.000 1.048 228 K CA 1.895 58.144 56.287 -0.063 0.000 0.929 228 K CB -0.178 32.303 32.500 -0.032 0.000 0.713 228 K HN 0.583 nan 8.250 nan 0.000 0.439 229 K N -0.195 120.139 120.400 -0.110 0.000 2.097 229 K HA -0.085 4.234 4.320 -0.001 0.000 0.205 229 K C 1.356 177.852 176.600 -0.174 0.000 1.050 229 K CA 1.725 57.940 56.287 -0.120 0.000 0.938 229 K CB -0.033 32.410 32.500 -0.095 0.000 0.718 229 K HN 0.018 nan 8.250 nan 0.000 0.442 230 N N 0.412 118.941 118.700 -0.285 0.000 2.467 230 N HA 0.050 4.790 4.740 -0.001 0.000 0.184 230 N C 0.369 175.766 175.510 -0.188 0.000 1.106 230 N CA 1.045 53.917 53.050 -0.298 0.000 0.892 230 N CB 0.596 38.765 38.487 -0.529 0.000 0.969 230 N HN 0.536 nan 8.380 nan 0.000 0.454 231 G N 0.276 108.989 108.800 -0.145 0.000 2.246 231 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.273 231 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.273 231 G C -0.201 174.640 174.900 -0.098 0.000 1.055 231 G CA 0.480 45.524 45.100 -0.094 0.000 0.851 231 G HN 0.302 nan 8.290 nan 0.000 0.500 232 S N -0.980 114.644 115.700 -0.128 0.000 2.687 232 S HA 0.749 5.218 4.470 -0.001 0.000 0.283 232 S C 0.491 175.021 174.600 -0.116 0.000 1.170 232 S CA -0.567 57.556 58.200 -0.128 0.000 1.008 232 S CB 1.586 64.704 63.200 -0.136 0.000 1.026 232 S HN 0.377 nan 8.310 nan 0.000 0.541 233 I N 1.884 122.360 120.570 -0.156 0.000 2.339 233 I HA 0.361 4.530 4.170 -0.001 0.000 0.290 233 I C -0.692 175.314 176.117 -0.186 0.000 0.994 233 I CA -0.392 60.813 61.300 -0.157 0.000 1.191 233 I CB 0.943 38.833 38.000 -0.184 0.000 1.343 233 I HN 0.419 nan 8.210 nan 0.000 0.458 234 I N 6.757 127.253 120.570 -0.123 0.000 2.395 234 I HA 0.193 4.363 4.170 -0.001 0.000 0.289 234 I C -0.240 175.798 176.117 -0.132 0.000 1.023 234 I CA -0.570 60.660 61.300 -0.116 0.000 1.350 234 I CB 1.326 39.292 38.000 -0.056 0.000 1.409 234 I HN 0.206 nan 8.210 nan 0.000 0.507 235 V N 7.449 127.220 119.914 -0.237 0.000 2.311 235 V HA 0.154 4.273 4.120 -0.001 0.000 0.275 235 V C -0.628 175.445 176.094 -0.035 0.000 1.022 235 V CA -0.600 61.582 62.300 -0.197 0.000 0.830 235 V CB 0.508 32.047 31.823 -0.474 0.000 1.012 235 V HN 0.442 nan 8.190 nan 0.000 0.452 236 Y N 3.871 124.111 120.300 -0.099 0.000 2.341 236 Y HA 0.471 5.020 4.550 -0.001 0.000 0.340 236 Y C 0.106 175.994 175.900 -0.021 0.000 0.997 236 Y CA -0.692 57.393 58.100 -0.026 0.000 1.149 236 Y CB 1.126 39.533 38.460 -0.088 0.000 1.171 236 Y HN 0.640 nan 8.280 nan 0.000 0.494 237 D N 3.541 123.777 120.400 -0.274 0.000 2.373 237 D HA 0.134 4.774 4.640 -0.001 0.000 0.227 237 D C -0.196 175.907 176.300 -0.328 0.000 1.091 237 D CA -0.154 53.731 54.000 -0.191 0.000 0.840 237 D CB 1.027 41.820 40.800 -0.013 0.000 1.060 237 D HN 0.557 nan 8.370 nan 0.000 0.502 238 S N 2.204 117.774 115.700 -0.217 0.000 2.588 238 S HA 0.324 4.794 4.470 -0.001 0.000 0.245 238 S C 1.622 176.127 174.600 -0.157 0.000 1.021 238 S CA -0.012 58.119 58.200 -0.116 0.000 1.006 238 S CB 0.597 63.872 63.200 0.125 0.000 0.830 238 S HN 0.388 nan 8.310 nan 0.000 0.468 239 A N 1.137 123.763 122.820 -0.323 0.000 1.997 239 A HA -0.104 4.215 4.320 -0.001 0.000 0.221 239 A C 1.279 178.471 177.584 -0.654 0.000 1.172 239 A CA 1.435 53.095 52.037 -0.627 0.000 0.645 239 A CB -0.843 17.677 19.000 -0.800 0.000 0.813 239 A HN 0.739 nan 8.150 nan 0.000 0.454 240 Y N -1.601 118.706 120.300 0.011 0.000 2.584 240 Y HA 0.486 5.036 4.550 -0.001 0.000 0.254 240 Y C 2.155 178.275 175.900 0.367 0.000 1.177 240 Y CA -0.281 57.944 58.100 0.209 0.000 1.216 240 Y CB -0.315 38.133 38.460 -0.019 0.000 1.172 240 Y HN 0.278 nan 8.280 nan 0.000 0.529 241 A N 0.329 123.382 122.820 0.389 0.000 1.940 241 A HA -0.228 4.091 4.320 -0.001 0.000 0.219 241 A C 2.065 179.810 177.584 0.268 0.000 1.176 241 A CA 1.652 53.874 52.037 0.308 0.000 0.631 241 A CB -0.491 18.663 19.000 0.257 0.000 0.814 241 A HN 0.480 nan 8.150 nan 0.000 0.446 242 M N -1.709 118.026 119.600 0.225 0.000 2.630 242 M HA -0.054 4.425 4.480 -0.001 0.000 0.254 242 M C 0.898 177.156 176.300 -0.070 0.000 1.092 242 M CA 0.765 56.010 55.300 -0.092 0.000 1.087 242 M CB -0.146 32.044 32.600 -0.684 0.000 1.453 242 M HN 0.563 nan 8.290 nan 0.000 0.509 243 Y N -0.759 119.630 120.300 0.148 0.000 2.529 243 Y HA 0.100 4.649 4.550 -0.001 0.000 0.290 243 Y C 0.888 176.832 175.900 0.073 0.000 1.177 243 Y CA -0.180 57.988 58.100 0.114 0.000 1.305 243 Y CB -0.255 38.289 38.460 0.140 0.000 1.047 243 Y HN 0.155 nan 8.280 nan 0.000 0.522 244 M N -0.333 119.381 119.600 0.190 0.000 2.260 244 M HA -0.063 4.417 4.480 -0.001 0.000 0.348 244 M C 1.057 177.413 176.300 0.094 0.000 1.342 244 M CA 0.748 56.129 55.300 0.136 0.000 1.040 244 M CB 0.593 33.268 32.600 0.125 0.000 1.810 244 M HN 0.005 nan 8.290 nan 0.000 0.453 245 S N 1.490 117.239 115.700 0.082 0.000 2.641 245 S HA 0.157 4.627 4.470 -0.001 0.000 0.239 245 S C -0.028 174.605 174.600 0.056 0.000 1.081 245 S CA -0.244 57.993 58.200 0.062 0.000 0.904 245 S CB 0.213 63.445 63.200 0.054 0.000 0.803 245 S HN 0.738 nan 8.310 nan 0.000 0.510 246 D N 2.378 122.812 120.400 0.057 0.000 2.361 246 D HA 0.103 4.742 4.640 -0.001 0.000 0.239 246 D C -0.316 176.015 176.300 0.051 0.000 1.200 246 D CA 0.207 54.238 54.000 0.051 0.000 0.915 246 D CB 0.316 41.147 40.800 0.052 0.000 1.170 246 D HN 0.039 nan 8.370 nan 0.000 0.444 247 D N 0.861 121.286 120.400 0.041 0.000 2.619 247 D HA 0.083 4.722 4.640 -0.001 0.000 0.224 247 D C -0.895 175.428 176.300 0.040 0.000 1.133 247 D CA -0.197 53.826 54.000 0.038 0.000 1.017 247 D CB -0.864 39.953 40.800 0.028 0.000 1.077 247 D HN 0.221 nan 8.370 nan 0.000 0.503 248 N N 1.780 120.512 118.700 0.054 0.000 2.335 248 N HA 0.467 5.206 4.740 -0.001 0.000 0.304 248 N C -2.585 172.970 175.510 0.074 0.000 1.135 248 N CA -1.820 51.265 53.050 0.060 0.000 0.817 248 N CB 1.623 40.156 38.487 0.077 0.000 1.294 248 N HN 0.054 nan 8.380 nan 0.000 0.497 249 P HA 0.066 nan 4.420 nan 0.000 0.266 249 P C -0.153 177.228 177.300 0.135 0.000 1.195 249 P CA 0.166 63.312 63.100 0.077 0.000 0.768 249 P CB 0.798 32.520 31.700 0.037 0.000 0.838 250 R N 0.352 120.938 120.500 0.143 0.000 2.265 250 R HA 0.177 4.516 4.340 -0.001 0.000 0.194 250 R C 0.644 177.097 176.300 0.256 0.000 0.931 250 R CA 0.386 56.606 56.100 0.200 0.000 1.032 250 R CB 0.362 30.763 30.300 0.168 0.000 0.980 250 R HN 0.390 nan 8.270 nan 0.000 0.497 251 S N -0.281 115.526 115.700 0.177 0.000 2.526 251 S HA 0.210 4.679 4.470 -0.001 0.000 0.293 251 S C 0.530 175.007 174.600 -0.205 0.000 1.092 251 S CA -0.712 57.570 58.200 0.136 0.000 0.980 251 S CB 1.576 64.981 63.200 0.342 0.000 1.048 251 S HN 0.096 nan 8.310 nan 0.000 0.483 252 I N 3.907 124.028 120.570 -0.749 0.000 2.423 252 I HA 0.020 4.189 4.170 -0.001 0.000 0.254 252 I C 0.915 176.733 176.117 -0.498 0.000 1.151 252 I CA 1.576 62.313 61.300 -0.938 0.000 1.421 252 I CB -0.360 36.827 38.000 -1.355 0.000 1.079 252 I HN 0.734 nan 8.210 nan 0.000 0.431 253 F N 0.725 120.633 119.950 -0.070 0.000 2.699 253 F HA -0.005 4.522 4.527 -0.001 0.000 0.298 253 F C 2.215 178.022 175.800 0.011 0.000 1.154 253 F CA 0.537 58.532 58.000 -0.009 0.000 1.457 253 F CB -1.015 38.017 39.000 0.054 0.000 1.106 253 F HN 0.198 nan 8.300 nan 0.000 0.585 254 E N 0.080 120.355 120.200 0.124 0.000 2.338 254 E HA -0.086 4.264 4.350 -0.001 0.000 0.197 254 E C 0.400 177.019 176.600 0.031 0.000 1.007 254 E CA 0.401 56.848 56.400 0.078 0.000 0.849 254 E CB 0.127 29.858 29.700 0.052 0.000 0.774 254 E HN 0.170 nan 8.360 nan 0.000 0.506 255 I N 2.609 123.176 120.570 -0.006 0.000 2.312 255 I HA 0.177 4.346 4.170 -0.001 0.000 0.291 255 I C -2.302 173.822 176.117 0.011 0.000 1.031 255 I CA -3.107 58.179 61.300 -0.022 0.000 1.293 255 I CB 0.157 38.112 38.000 -0.075 0.000 1.403 255 I HN -0.312 nan 8.210 nan 0.000 0.484 256 P HA 0.186 nan 4.420 nan 0.000 0.265 256 P C 0.940 178.248 177.300 0.014 0.000 1.193 256 P CA 0.662 63.774 63.100 0.020 0.000 0.765 256 P CB 0.697 32.404 31.700 0.012 0.000 0.823 257 G N 2.678 111.491 108.800 0.022 0.000 2.234 257 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.235 257 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.235 257 G C 1.258 176.173 174.900 0.025 0.000 0.997 257 G CA 0.448 45.557 45.100 0.016 0.000 0.623 257 G HN 0.652 nan 8.290 nan 0.000 0.514 258 A N 1.203 124.048 122.820 0.042 0.000 1.986 258 A HA -0.025 4.295 4.320 -0.001 0.000 0.220 258 A C 2.126 179.802 177.584 0.154 0.000 1.171 258 A CA 2.434 54.506 52.037 0.058 0.000 0.640 258 A CB -0.429 18.596 19.000 0.042 0.000 0.811 258 A HN 1.072 nan 8.150 nan 0.000 0.451 259 E N 0.568 120.863 120.200 0.158 0.000 2.338 259 E HA -0.198 4.151 4.350 -0.001 0.000 0.197 259 E C 1.137 177.762 176.600 0.041 0.000 1.007 259 E CA 1.454 57.914 56.400 0.101 0.000 0.849 259 E CB -0.433 29.265 29.700 -0.004 0.000 0.774 259 E HN 0.783 nan 8.360 nan 0.000 0.506 260 E N 0.360 120.577 120.200 0.028 0.000 2.447 260 E HA 0.004 4.354 4.350 -0.001 0.000 0.195 260 E C 1.563 178.159 176.600 -0.007 0.000 1.028 260 E CA 0.815 57.215 56.400 0.001 0.000 0.876 260 E CB 0.763 30.460 29.700 -0.006 0.000 0.885 260 E HN 0.313 nan 8.360 nan 0.000 0.500 261 V N -4.121 115.796 119.914 0.005 0.000 3.392 261 V HA 0.559 4.678 4.120 -0.001 0.000 0.294 261 V C 0.151 176.233 176.094 -0.020 0.000 1.561 261 V CA -0.192 62.096 62.300 -0.021 0.000 1.056 261 V CB 0.646 32.449 31.823 -0.034 0.000 0.882 261 V HN 0.034 nan 8.190 nan 0.000 0.440 262 A N 2.141 124.978 122.820 0.029 0.000 2.435 262 A HA 0.978 5.297 4.320 -0.001 0.000 0.304 262 A C -0.631 177.021 177.584 0.115 0.000 1.064 262 A CA -0.604 51.436 52.037 0.005 0.000 0.727 262 A CB 1.984 20.906 19.000 -0.131 0.000 1.284 262 A HN 0.726 nan 8.150 nan 0.000 0.415 263 M N 0.233 119.859 119.600 0.045 0.000 2.761 263 M HA 0.863 5.342 4.480 -0.001 0.000 0.305 263 M C -0.656 175.663 176.300 0.031 0.000 1.235 263 M CA -0.506 54.867 55.300 0.121 0.000 0.850 263 M CB 2.031 34.637 32.600 0.011 0.000 1.744 263 M HN 0.676 nan 8.290 nan 0.000 0.480 264 E N 0.374 120.634 120.200 0.100 0.000 2.293 264 E HA 0.506 4.855 4.350 -0.001 0.000 0.270 264 E C -1.804 174.819 176.600 0.038 0.000 0.879 264 E CA -0.544 55.905 56.400 0.082 0.000 0.756 264 E CB 2.585 32.348 29.700 0.104 0.000 1.208 264 E HN 0.810 nan 8.360 nan 0.000 0.428 265 T N 1.791 116.319 114.554 -0.044 0.000 2.863 265 T HA 0.844 5.193 4.350 -0.001 0.000 0.285 265 T C -1.330 173.151 174.700 -0.365 0.000 1.009 265 T CA -0.035 61.953 62.100 -0.186 0.000 0.989 265 T CB 1.289 70.095 68.868 -0.103 0.000 1.004 265 T HN 0.602 nan 8.240 nan 0.000 0.455 266 A N 2.580 124.958 122.820 -0.736 0.000 2.568 266 A HA 0.928 5.247 4.320 -0.001 0.000 0.291 266 A C -0.760 176.121 177.584 -1.172 0.000 1.159 266 A CA -0.646 50.771 52.037 -1.033 0.000 0.679 266 A CB 1.511 19.666 19.000 -1.408 0.000 1.285 266 A HN 1.089 nan 8.150 nan 0.000 0.428 267 S N -1.795 113.215 115.700 -1.150 0.000 2.547 267 S HA 0.598 5.067 4.470 -0.001 0.000 0.270 267 S C -0.975 173.221 174.600 -0.673 0.000 1.150 267 S CA -0.416 57.371 58.200 -0.687 0.000 0.850 267 S CB 0.558 63.482 63.200 -0.460 0.000 1.118 267 S HN 0.766 nan 8.310 nan 0.000 0.461 268 F N 1.962 121.833 119.950 -0.130 0.000 2.811 268 F HA 0.169 4.695 4.527 -0.001 0.000 0.301 268 F C 2.440 178.163 175.800 -0.129 0.000 1.151 268 F CA 0.391 58.323 58.000 -0.112 0.000 1.412 268 F CB -0.054 38.830 39.000 -0.195 0.000 1.113 268 F HN 0.536 nan 8.300 nan 0.000 0.579 269 S N 0.206 115.906 115.700 0.000 0.000 2.368 269 S HA -0.207 4.262 4.470 -0.001 0.000 0.226 269 S C 1.936 176.523 174.600 -0.022 0.000 1.044 269 S CA 1.488 59.697 58.200 0.016 0.000 1.062 269 S CB -0.138 62.994 63.200 -0.113 0.000 0.931 269 S HN 0.199 nan 8.310 nan 0.000 0.440 270 K N -0.139 120.162 120.400 -0.165 0.000 2.404 270 K HA 0.205 4.524 4.320 -0.001 0.000 0.194 270 K C 0.779 177.652 176.600 0.455 0.000 1.023 270 K CA 0.294 56.618 56.287 0.062 0.000 1.094 270 K CB -0.007 32.501 32.500 0.014 0.000 0.841 270 K HN 0.448 nan 8.250 nan 0.000 0.523 271 Y N -0.240 120.183 120.300 0.205 0.000 2.464 271 Y HA 0.257 4.807 4.550 -0.001 0.000 0.288 271 Y C 1.826 177.844 175.900 0.198 0.000 1.133 271 Y CA -0.062 58.154 58.100 0.193 0.000 1.223 271 Y CB -0.248 38.297 38.460 0.142 0.000 1.187 271 Y HN -0.041 nan 8.280 nan 0.000 0.539 272 A N -1.014 122.002 122.820 0.327 0.000 2.508 272 A HA 0.536 4.855 4.320 -0.001 0.000 0.257 272 A C 1.583 179.365 177.584 0.330 0.000 1.226 272 A CA 0.408 52.566 52.037 0.202 0.000 0.947 272 A CB -0.548 18.351 19.000 -0.167 0.000 1.079 272 A HN 0.503 nan 8.150 nan 0.000 0.531 273 G N -1.095 107.907 108.800 0.337 0.000 2.176 273 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.252 273 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.252 273 G C 0.141 175.275 174.900 0.390 0.000 1.024 273 G CA 0.339 45.624 45.100 0.308 0.000 0.755 273 G HN 0.347 nan 8.290 nan 0.000 0.507 274 F N 1.650 121.662 119.950 0.102 0.000 2.693 274 F HA 0.133 4.660 4.527 -0.001 0.000 0.303 274 F C 2.631 178.454 175.800 0.038 0.000 1.143 274 F CA 0.775 58.826 58.000 0.084 0.000 1.389 274 F CB -0.520 38.568 39.000 0.146 0.000 1.060 274 F HN 0.335 nan 8.300 nan 0.000 0.535 275 T N -3.200 111.441 114.554 0.145 0.000 2.721 275 T HA -0.197 4.152 4.350 -0.001 0.000 0.268 275 T C 2.337 177.052 174.700 0.024 0.000 1.038 275 T CA 1.593 63.713 62.100 0.033 0.000 1.145 275 T CB -0.716 68.124 68.868 -0.046 0.000 0.858 275 T HN 0.337 nan 8.240 nan 0.000 0.459 276 G N -0.131 108.677 108.800 0.012 0.000 2.662 276 G HA2 0.212 4.171 3.960 -0.001 0.000 0.212 276 G HA3 0.212 4.171 3.960 -0.001 0.000 0.212 276 G C 1.510 176.376 174.900 -0.056 0.000 1.141 276 G CA 0.372 45.463 45.100 -0.015 0.000 0.797 276 G HN 0.480 nan 8.290 nan 0.000 0.531 277 V N 0.103 119.939 119.914 -0.129 0.000 2.535 277 V HA 0.125 4.244 4.120 -0.001 0.000 0.246 277 V C 0.792 176.806 176.094 -0.135 0.000 1.045 277 V CA 0.428 62.552 62.300 -0.292 0.000 1.058 277 V CB -0.498 30.783 31.823 -0.902 0.000 0.689 277 V HN 0.425 nan 8.190 nan 0.000 0.461 278 R N 0.318 120.832 120.500 0.023 0.000 2.011 278 R HA -0.064 4.276 4.340 -0.001 0.000 0.379 278 R C -1.179 175.265 176.300 0.240 0.000 1.107 278 R CA 0.226 56.405 56.100 0.131 0.000 0.754 278 R CB -1.762 28.593 30.300 0.092 0.000 2.460 278 R HN 0.296 nan 8.270 nan 0.000 0.482 279 L N 0.917 122.365 121.223 0.376 0.000 2.639 279 L HA 0.727 5.066 4.340 -0.001 0.000 0.264 279 L C 0.174 177.347 176.870 0.505 0.000 0.948 279 L CA 0.485 55.608 54.840 0.471 0.000 0.912 279 L CB 2.009 44.412 42.059 0.574 0.000 1.294 279 L HN 0.739 nan 8.230 nan 0.000 0.412 280 G N 3.027 112.069 108.800 0.403 0.000 3.021 280 G HA2 0.775 4.734 3.960 -0.001 0.000 0.290 280 G HA3 0.775 4.734 3.960 -0.001 0.000 0.290 280 G C -2.127 173.056 174.900 0.472 0.000 1.291 280 G CA -0.169 45.100 45.100 0.281 0.000 0.834 280 G HN 0.710 nan 8.290 nan 0.000 0.564 281 W N -1.871 119.508 121.300 0.132 0.000 3.066 281 W HA 0.737 5.396 4.660 -0.001 0.000 0.330 281 W C -1.299 175.307 176.519 0.146 0.000 1.253 281 W CA -1.068 56.389 57.345 0.187 0.000 1.187 281 W CB 0.897 30.488 29.460 0.218 0.000 1.434 281 W HN 0.582 nan 8.180 nan 0.000 0.572 282 T N 1.912 116.686 114.554 0.366 0.000 2.876 282 T HA 0.599 4.948 4.350 -0.001 0.000 0.289 282 T C -1.285 173.642 174.700 0.379 0.000 1.014 282 T CA -0.628 61.583 62.100 0.186 0.000 0.986 282 T CB 1.806 70.626 68.868 -0.080 0.000 1.021 282 T HN 0.432 nan 8.240 nan 0.000 0.458 283 V N 4.264 124.343 119.914 0.274 0.000 2.417 283 V HA 0.557 4.676 4.120 -0.001 0.000 0.291 283 V C -0.424 175.766 176.094 0.161 0.000 1.024 283 V CA -0.719 61.707 62.300 0.210 0.000 0.861 283 V CB 1.221 33.073 31.823 0.049 0.000 0.985 283 V HN 0.765 nan 8.190 nan 0.000 0.436 284 I N 7.347 128.007 120.570 0.149 0.000 2.439 284 I HA 0.403 4.573 4.170 -0.001 0.000 0.283 284 I C -2.407 173.721 176.117 0.018 0.000 1.023 284 I CA -1.876 59.469 61.300 0.074 0.000 1.100 284 I CB 2.645 40.654 38.000 0.016 0.000 1.238 284 I HN 0.434 nan 8.210 nan 0.000 0.445 285 P HA 0.217 nan 4.420 nan 0.000 0.276 285 P C 0.013 177.266 177.300 -0.080 0.000 1.244 285 P CA -0.469 62.538 63.100 -0.156 0.000 0.801 285 P CB 1.325 32.880 31.700 -0.240 0.000 1.006 286 K N 0.686 121.033 120.400 -0.088 0.000 2.147 286 K HA -0.114 4.205 4.320 -0.001 0.000 0.205 286 K C 1.552 178.113 176.600 -0.064 0.000 1.049 286 K CA 1.500 57.747 56.287 -0.066 0.000 0.936 286 K CB -0.127 32.332 32.500 -0.067 0.000 0.722 286 K HN 0.427 nan 8.250 nan 0.000 0.446 287 K N 0.612 120.974 120.400 -0.063 0.000 2.444 287 K HA 0.027 4.346 4.320 -0.001 0.000 0.193 287 K C -0.124 176.449 176.600 -0.045 0.000 1.024 287 K CA -0.135 56.123 56.287 -0.048 0.000 1.077 287 K CB 0.180 32.656 32.500 -0.039 0.000 0.833 287 K HN -0.037 nan 8.250 nan 0.000 0.517 288 L N 2.207 123.398 121.223 -0.054 0.000 2.325 288 L HA 0.240 4.579 4.340 -0.001 0.000 0.284 288 L C -0.958 175.847 176.870 -0.109 0.000 1.089 288 L CA 0.189 54.988 54.840 -0.069 0.000 0.836 288 L CB 0.114 42.135 42.059 -0.064 0.000 1.184 288 L HN -0.036 nan 8.230 nan 0.000 0.444 289 L N 4.904 126.072 121.223 -0.092 0.000 2.370 289 L HA 0.463 4.802 4.340 -0.001 0.000 0.266 289 L C -0.685 176.167 176.870 -0.030 0.000 1.002 289 L CA -1.018 53.786 54.840 -0.060 0.000 0.818 289 L CB 1.517 43.580 42.059 0.007 0.000 1.325 289 L HN 0.331 nan 8.230 nan 0.000 0.418 290 Y N 0.155 120.527 120.300 0.120 0.000 2.258 290 Y HA -0.044 4.505 4.550 -0.001 0.000 0.345 290 Y C 1.845 177.792 175.900 0.079 0.000 1.303 290 Y CA 0.389 58.556 58.100 0.111 0.000 1.537 290 Y CB 0.743 39.299 38.460 0.159 0.000 1.383 290 Y HN 0.724 nan 8.280 nan 0.000 0.606 291 S N -0.755 115.097 115.700 0.253 0.000 2.469 291 S HA -0.172 4.297 4.470 -0.001 0.000 0.238 291 S C 0.864 175.533 174.600 0.116 0.000 0.998 291 S CA 1.296 59.575 58.200 0.131 0.000 0.957 291 S CB -0.513 62.737 63.200 0.084 0.000 0.764 291 S HN 0.774 nan 8.310 nan 0.000 0.514 292 D N -0.123 120.369 120.400 0.154 0.000 2.328 292 D HA 0.284 4.923 4.640 -0.001 0.000 0.221 292 D C 1.387 177.785 176.300 0.164 0.000 1.072 292 D CA 0.483 54.561 54.000 0.130 0.000 0.850 292 D CB -0.523 40.338 40.800 0.102 0.000 0.922 292 D HN 0.548 nan 8.370 nan 0.000 0.516 293 G N -0.113 108.794 108.800 0.178 0.000 2.176 293 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.253 293 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.253 293 G C -0.081 174.927 174.900 0.180 0.000 0.979 293 G CA -0.029 45.156 45.100 0.143 0.000 0.641 293 G HN 0.400 nan 8.290 nan 0.000 0.530 294 F N 3.170 123.206 119.950 0.144 0.000 2.456 294 F HA 0.551 5.077 4.527 -0.001 0.000 0.358 294 F C -1.764 174.131 175.800 0.158 0.000 1.095 294 F CA -2.158 55.943 58.000 0.168 0.000 1.216 294 F CB 1.097 40.228 39.000 0.218 0.000 1.125 294 F HN -0.074 nan 8.300 nan 0.000 0.549 295 P HA 0.021 nan 4.420 nan 0.000 0.271 295 P C 0.710 177.950 177.300 -0.101 0.000 1.233 295 P CA 0.049 63.005 63.100 -0.239 0.000 0.764 295 P CB 1.006 32.525 31.700 -0.300 0.000 0.825 296 V N 3.874 123.698 119.914 -0.150 0.000 2.332 296 V HA -0.311 3.809 4.120 -0.001 0.000 0.248 296 V C 2.389 178.495 176.094 0.022 0.000 1.055 296 V CA 2.698 64.887 62.300 -0.185 0.000 1.038 296 V CB -1.531 30.058 31.823 -0.390 0.000 0.651 296 V HN 0.627 nan 8.190 nan 0.000 0.450 297 A N -0.576 122.251 122.820 0.010 0.000 1.978 297 A HA -0.258 4.061 4.320 -0.001 0.000 0.220 297 A C 2.309 180.004 177.584 0.184 0.000 1.170 297 A CA 1.989 54.095 52.037 0.114 0.000 0.636 297 A CB -0.424 18.699 19.000 0.204 0.000 0.810 297 A HN 0.568 nan 8.150 nan 0.000 0.448 298 K N -0.700 119.772 120.400 0.121 0.000 2.103 298 K HA -0.112 4.207 4.320 -0.001 0.000 0.204 298 K C 1.389 178.165 176.600 0.292 0.000 1.052 298 K CA 1.291 57.672 56.287 0.156 0.000 0.945 298 K CB -0.162 32.300 32.500 -0.064 0.000 0.722 298 K HN 0.344 nan 8.250 nan 0.000 0.443 299 D N 0.304 120.952 120.400 0.414 0.000 2.144 299 D HA -0.136 4.504 4.640 -0.001 0.000 0.200 299 D C 1.557 177.956 176.300 0.164 0.000 0.978 299 D CA 0.767 54.967 54.000 0.333 0.000 0.833 299 D CB -0.131 40.923 40.800 0.424 0.000 0.961 299 D HN 0.029 nan 8.370 nan 0.000 0.470 300 F N 1.715 121.628 119.950 -0.062 0.000 2.171 300 F HA -0.139 4.388 4.527 -0.001 0.000 0.300 300 F C 1.957 177.625 175.800 -0.220 0.000 1.090 300 F CA 1.157 59.000 58.000 -0.261 0.000 1.293 300 F CB -0.300 38.377 39.000 -0.538 0.000 1.013 300 F HN -0.061 nan 8.300 nan 0.000 0.486 301 N N 0.275 118.953 118.700 -0.037 0.000 2.166 301 N HA -0.259 4.480 4.740 -0.001 0.000 0.186 301 N C 2.146 177.659 175.510 0.006 0.000 1.019 301 N CA 1.140 54.243 53.050 0.088 0.000 0.856 301 N CB -0.191 38.477 38.487 0.303 0.000 0.993 301 N HN 0.170 nan 8.380 nan 0.000 0.426 302 R N 1.156 121.669 120.500 0.022 0.000 2.081 302 R HA 0.022 4.361 4.340 -0.001 0.000 0.235 302 R C 2.206 178.469 176.300 -0.062 0.000 1.131 302 R CA 0.894 56.998 56.100 0.008 0.000 0.960 302 R CB -0.642 29.686 30.300 0.047 0.000 0.856 302 R HN 0.244 nan 8.270 nan 0.000 0.436 303 I N 1.212 121.698 120.570 -0.139 0.000 2.163 303 I HA -0.252 3.917 4.170 -0.001 0.000 0.243 303 I C 2.208 178.190 176.117 -0.225 0.000 1.085 303 I CA 1.499 62.680 61.300 -0.198 0.000 1.347 303 I CB -1.100 36.731 38.000 -0.282 0.000 1.044 303 I HN 0.312 nan 8.210 nan 0.000 0.408 304 I N -1.568 118.788 120.570 -0.357 0.000 2.546 304 I HA -0.142 4.028 4.170 -0.001 0.000 0.255 304 I C 2.455 178.595 176.117 0.039 0.000 1.163 304 I CA 1.200 62.397 61.300 -0.173 0.000 1.457 304 I CB -1.139 36.717 38.000 -0.239 0.000 1.092 304 I HN 0.008 nan 8.210 nan 0.000 0.434 305 C N 0.845 120.142 119.300 -0.004 0.000 2.468 305 C HA 0.063 4.522 4.460 -0.001 0.000 0.277 305 C C 2.579 177.562 174.990 -0.011 0.000 1.400 305 C CA 1.247 60.270 59.018 0.008 0.000 1.770 305 C CB -1.316 26.431 27.740 0.012 0.000 1.905 305 C HN 0.623 nan 8.230 nan 0.000 0.519 306 T N -1.631 112.916 114.554 -0.013 0.000 3.034 306 T HA 0.003 4.352 4.350 -0.001 0.000 0.248 306 T C 1.277 175.979 174.700 0.004 0.000 1.040 306 T CA 0.829 62.921 62.100 -0.014 0.000 1.107 306 T CB -0.034 68.822 68.868 -0.020 0.000 0.932 306 T HN 0.513 nan 8.240 nan 0.000 0.474 307 C N 1.174 120.488 119.300 0.023 0.000 3.183 307 C HA 0.607 5.066 4.460 -0.001 0.000 0.285 307 C C -0.210 174.878 174.990 0.163 0.000 1.313 307 C CA -0.979 58.069 59.018 0.049 0.000 1.711 307 C CB -1.215 26.526 27.740 0.001 0.000 2.135 307 C HN 0.454 nan 8.230 nan 0.000 0.651 308 F N 0.841 120.763 119.950 -0.047 0.000 2.654 308 F HA 0.463 4.989 4.527 -0.001 0.000 0.308 308 F C -0.334 175.462 175.800 -0.007 0.000 1.108 308 F CA -0.808 57.179 58.000 -0.020 0.000 0.957 308 F CB 1.106 40.086 39.000 -0.035 0.000 1.309 308 F HN -0.244 nan 8.300 nan 0.000 0.446 309 N N 1.772 120.158 118.700 -0.523 0.000 2.238 309 N HA 0.417 5.156 4.740 -0.001 0.000 0.235 309 N C -0.346 174.820 175.510 -0.573 0.000 1.209 309 N CA 0.761 53.575 53.050 -0.394 0.000 0.879 309 N CB 1.080 39.499 38.487 -0.113 0.000 1.136 309 N HN 1.051 nan 8.380 nan 0.000 0.517 310 G N 0.021 108.010 108.800 -1.352 0.000 2.650 310 G HA2 0.154 4.113 3.960 -0.001 0.000 0.686 310 G HA3 0.154 4.113 3.960 -0.001 0.000 0.686 310 G C -0.518 174.029 174.900 -0.588 0.000 1.205 310 G CA -0.532 44.104 45.100 -0.773 0.000 0.781 310 G HN 0.320 nan 8.290 nan 0.000 0.648 311 A N 0.819 123.640 122.820 0.002 0.000 2.366 311 A HA 0.795 5.115 4.320 -0.001 0.000 0.249 311 A C 1.344 178.964 177.584 0.061 0.000 1.084 311 A CA 1.143 53.293 52.037 0.188 0.000 0.794 311 A CB 0.598 19.784 19.000 0.310 0.000 1.034 311 A HN 2.470 nan 8.150 nan 0.000 0.491 312 S N 0.451 116.192 115.700 0.068 0.000 2.546 312 S HA -0.027 4.442 4.470 -0.001 0.000 0.290 312 S C 1.420 176.028 174.600 0.014 0.000 1.290 312 S CA 0.087 58.298 58.200 0.018 0.000 1.069 312 S CB -0.124 63.081 63.200 0.008 0.000 0.846 312 S HN 0.863 nan 8.310 nan 0.000 0.495 313 N N 6.010 124.698 118.700 -0.020 0.000 2.205 313 N HA -0.160 4.579 4.740 -0.001 0.000 0.186 313 N C 1.428 176.926 175.510 -0.020 0.000 1.015 313 N CA 1.919 54.953 53.050 -0.027 0.000 0.862 313 N CB -0.654 37.790 38.487 -0.071 0.000 0.986 313 N HN 0.714 nan 8.380 nan 0.000 0.429 314 I N 0.255 120.806 120.570 -0.031 0.000 2.286 314 I HA -0.148 4.022 4.170 -0.001 0.000 0.245 314 I C 1.936 178.036 176.117 -0.028 0.000 1.104 314 I CA 0.840 62.117 61.300 -0.038 0.000 1.397 314 I CB -0.267 37.697 38.000 -0.061 0.000 1.072 314 I HN 0.083 nan 8.210 nan 0.000 0.417 315 S N 0.257 115.943 115.700 -0.022 0.000 2.382 315 S HA -0.224 4.245 4.470 -0.001 0.000 0.228 315 S C 1.952 176.619 174.600 0.113 0.000 1.027 315 S CA 1.242 59.446 58.200 0.005 0.000 0.991 315 S CB -0.294 62.923 63.200 0.030 0.000 0.823 315 S HN 0.472 nan 8.310 nan 0.000 0.469 316 Q N 0.702 120.556 119.800 0.089 0.000 2.124 316 Q HA -0.043 4.296 4.340 -0.001 0.000 0.202 316 Q C 2.536 178.567 176.000 0.051 0.000 0.977 316 Q CA 1.320 57.176 55.803 0.089 0.000 0.850 316 Q CB -0.369 28.416 28.738 0.078 0.000 0.901 316 Q HN 0.612 nan 8.270 nan 0.000 0.429 317 A N 0.988 123.828 122.820 0.033 0.000 1.902 317 A HA -0.110 4.210 4.320 -0.001 0.000 0.217 317 A C 2.278 179.883 177.584 0.035 0.000 1.181 317 A CA 1.629 53.679 52.037 0.021 0.000 0.623 317 A CB -1.125 17.878 19.000 0.006 0.000 0.818 317 A HN 0.476 nan 8.150 nan 0.000 0.443 318 G N -0.440 108.408 108.800 0.079 0.000 2.421 318 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.216 318 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.216 318 G C 1.780 176.721 174.900 0.068 0.000 1.171 318 G CA 1.524 46.734 45.100 0.183 0.000 0.775 318 G HN 0.801 nan 8.290 nan 0.000 0.543 319 A N 0.425 123.218 122.820 -0.046 0.000 1.908 319 A HA -0.000 4.319 4.320 -0.001 0.000 0.218 319 A C 2.387 179.805 177.584 -0.276 0.000 1.181 319 A CA 1.739 53.452 52.037 -0.540 0.000 0.627 319 A CB -0.542 18.199 19.000 -0.432 0.000 0.818 319 A HN 0.406 nan 8.150 nan 0.000 0.445 320 L N -0.301 120.870 121.223 -0.086 0.000 2.042 320 L HA -0.151 4.188 4.340 -0.001 0.000 0.210 320 L C 2.710 179.562 176.870 -0.030 0.000 1.076 320 L CA 2.200 57.022 54.840 -0.031 0.000 0.749 320 L CB -0.546 41.510 42.059 -0.004 0.000 0.893 320 L HN 0.363 nan 8.230 nan 0.000 0.432 321 A N -2.018 120.785 122.820 -0.028 0.000 2.067 321 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 321 A C 2.342 179.915 177.584 -0.018 0.000 1.158 321 A CA 1.409 53.440 52.037 -0.011 0.000 0.661 321 A CB -1.312 17.696 19.000 0.013 0.000 0.801 321 A HN 0.621 nan 8.150 nan 0.000 0.452 322 C N -0.690 118.571 119.300 -0.065 0.000 2.422 322 C HA 0.006 4.466 4.460 -0.001 0.000 0.279 322 C C 1.477 176.497 174.990 0.049 0.000 1.305 322 C CA 0.355 59.361 59.018 -0.021 0.000 1.757 322 C CB -1.284 26.398 27.740 -0.097 0.000 1.962 322 C HN 0.529 nan 8.230 nan 0.000 0.499 323 L N 2.023 123.265 121.223 0.033 0.000 2.865 323 L HA 0.226 4.565 4.340 -0.001 0.000 0.233 323 L C 0.484 177.334 176.870 -0.034 0.000 1.320 323 L CA 0.137 54.980 54.840 0.005 0.000 1.225 323 L CB -1.028 41.039 42.059 0.013 0.000 1.542 323 L HN 0.461 nan 8.230 nan 0.000 0.432 324 T N -4.953 109.585 114.554 -0.027 0.000 2.883 324 T HA 0.446 4.796 4.350 -0.001 0.000 0.296 324 T C -2.314 172.365 174.700 -0.034 0.000 1.117 324 T CA -1.767 60.314 62.100 -0.031 0.000 1.006 324 T CB 2.259 71.117 68.868 -0.017 0.000 1.191 324 T HN -0.231 nan 8.240 nan 0.000 0.508 325 P HA -0.105 nan 4.420 nan 0.000 0.215 325 P C 1.374 178.660 177.300 -0.024 0.000 1.157 325 P CA 1.202 64.279 63.100 -0.038 0.000 0.874 325 P CB 0.178 31.857 31.700 -0.035 0.000 0.790 326 E N -0.844 119.349 120.200 -0.013 0.000 2.072 326 E HA -0.119 4.230 4.350 -0.001 0.000 0.191 326 E C 2.211 178.818 176.600 0.011 0.000 0.985 326 E CA 1.283 57.682 56.400 -0.001 0.000 0.801 326 E CB -0.854 28.848 29.700 0.003 0.000 0.750 326 E HN 0.147 nan 8.360 nan 0.000 0.452 327 G N 0.912 109.718 108.800 0.011 0.000 2.418 327 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.217 327 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.217 327 G C 1.533 176.457 174.900 0.040 0.000 1.158 327 G CA 0.653 45.770 45.100 0.027 0.000 0.771 327 G HN 0.178 nan 8.290 nan 0.000 0.545 328 L N 0.070 121.303 121.223 0.017 0.000 2.093 328 L HA -0.009 4.331 4.340 -0.001 0.000 0.208 328 L C 2.732 179.618 176.870 0.028 0.000 1.085 328 L CA 1.407 56.254 54.840 0.012 0.000 0.755 328 L CB -0.367 41.663 42.059 -0.047 0.000 0.904 328 L HN 0.345 nan 8.230 nan 0.000 0.435 329 E N 0.541 120.748 120.200 0.011 0.000 2.051 329 E HA -0.264 4.085 4.350 -0.001 0.000 0.192 329 E C 2.229 178.872 176.600 0.072 0.000 0.991 329 E CA 1.322 57.738 56.400 0.027 0.000 0.799 329 E CB -0.008 29.695 29.700 0.005 0.000 0.748 329 E HN 0.451 nan 8.360 nan 0.000 0.449 330 A N 0.873 123.726 122.820 0.055 0.000 1.902 330 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 330 A C 2.230 179.856 177.584 0.070 0.000 1.181 330 A CA 1.696 53.767 52.037 0.055 0.000 0.623 330 A CB -0.505 18.525 19.000 0.049 0.000 0.818 330 A HN 0.308 nan 8.150 nan 0.000 0.443 331 M N -1.618 118.034 119.600 0.088 0.000 2.117 331 M HA -0.158 4.322 4.480 -0.001 0.000 0.262 331 M C 2.318 178.655 176.300 0.061 0.000 1.065 331 M CA 1.793 57.153 55.300 0.100 0.000 1.114 331 M CB -0.691 31.984 32.600 0.126 0.000 1.361 331 M HN 0.667 nan 8.290 nan 0.000 0.408 332 H N 0.814 119.867 119.070 -0.028 0.000 2.352 332 H HA -0.194 4.361 4.556 -0.001 0.000 0.299 332 H C 2.043 177.352 175.328 -0.031 0.000 1.097 332 H CA 2.033 58.049 56.048 -0.054 0.000 1.311 332 H CB 0.005 29.737 29.762 -0.049 0.000 1.377 332 H HN 0.313 nan 8.280 nan 0.000 0.504 333 K N 0.145 120.563 120.400 0.030 0.000 2.026 333 K HA -0.085 4.234 4.320 -0.001 0.000 0.208 333 K C 2.322 178.894 176.600 -0.047 0.000 1.048 333 K CA 1.370 57.653 56.287 -0.007 0.000 0.929 333 K CB 0.026 32.548 32.500 0.036 0.000 0.713 333 K HN 0.076 nan 8.250 nan 0.000 0.439 334 V N 1.492 121.383 119.914 -0.039 0.000 2.295 334 V HA -0.265 3.855 4.120 -0.001 0.000 0.246 334 V C 2.256 178.316 176.094 -0.057 0.000 1.049 334 V CA 1.846 64.100 62.300 -0.076 0.000 1.024 334 V CB -0.366 31.468 31.823 0.019 0.000 0.648 334 V HN 0.325 nan 8.190 nan 0.000 0.447 335 I N 0.800 121.353 120.570 -0.029 0.000 2.163 335 I HA -0.202 3.967 4.170 -0.001 0.000 0.243 335 I C 2.595 178.653 176.117 -0.097 0.000 1.085 335 I CA 1.839 63.072 61.300 -0.111 0.000 1.347 335 I CB -0.915 36.820 38.000 -0.441 0.000 1.044 335 I HN 0.412 nan 8.210 nan 0.000 0.408 336 G N 0.357 109.042 108.800 -0.191 0.000 2.422 336 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.218 336 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.218 336 G C 1.599 176.491 174.900 -0.013 0.000 1.146 336 G CA 0.520 45.533 45.100 -0.145 0.000 0.769 336 G HN 0.362 nan 8.290 nan 0.000 0.547 337 F N 0.737 120.603 119.950 -0.140 0.000 2.075 337 F HA -0.089 4.437 4.527 -0.001 0.000 0.297 337 F C 2.434 178.215 175.800 -0.031 0.000 1.113 337 F CA 1.235 59.157 58.000 -0.129 0.000 1.218 337 F CB -0.242 38.610 39.000 -0.247 0.000 0.984 337 F HN 0.166 nan 8.300 nan 0.000 0.472 338 Y N 0.884 121.240 120.300 0.093 0.000 2.274 338 Y HA -0.124 4.425 4.550 -0.001 0.000 0.290 338 Y C 2.353 178.191 175.900 -0.103 0.000 1.145 338 Y CA 1.259 59.343 58.100 -0.027 0.000 1.203 338 Y CB -1.056 37.539 38.460 0.225 0.000 0.984 338 Y HN 0.096 nan 8.280 nan 0.000 0.533 339 K N -0.200 120.275 120.400 0.126 0.000 2.097 339 K HA -0.209 4.110 4.320 -0.001 0.000 0.205 339 K C 2.025 178.606 176.600 -0.032 0.000 1.050 339 K CA 1.475 57.792 56.287 0.050 0.000 0.938 339 K CB -0.078 32.453 32.500 0.051 0.000 0.718 339 K HN 0.118 nan 8.250 nan 0.000 0.442 340 E N 1.533 121.684 120.200 -0.082 0.000 2.077 340 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 340 E C 1.494 178.013 176.600 -0.136 0.000 0.989 340 E CA 1.465 57.800 56.400 -0.107 0.000 0.800 340 E CB -0.147 29.480 29.700 -0.123 0.000 0.746 340 E HN 0.167 nan 8.360 nan 0.000 0.452 341 N N -0.242 118.323 118.700 -0.226 0.000 2.061 341 N HA -0.152 4.587 4.740 -0.001 0.000 0.193 341 N C 1.735 177.199 175.510 -0.077 0.000 1.030 341 N CA 2.078 55.029 53.050 -0.165 0.000 0.856 341 N CB -0.957 37.426 38.487 -0.173 0.000 1.023 341 N HN 0.261 nan 8.380 nan 0.000 0.424 342 T N 1.536 116.041 114.554 -0.083 0.000 2.746 342 T HA -0.070 4.279 4.350 -0.001 0.000 0.267 342 T C 1.511 176.202 174.700 -0.015 0.000 1.039 342 T CA 1.076 63.139 62.100 -0.063 0.000 1.142 342 T CB -0.260 68.550 68.868 -0.097 0.000 0.866 342 T HN 0.270 nan 8.240 nan 0.000 0.444 343 N N 1.310 120.000 118.700 -0.017 0.000 2.120 343 N HA 0.012 4.751 4.740 -0.001 0.000 0.188 343 N C 1.881 177.401 175.510 0.016 0.000 1.024 343 N CA 0.895 53.946 53.050 0.002 0.000 0.852 343 N CB -0.492 37.992 38.487 -0.005 0.000 1.003 343 N HN 0.408 nan 8.380 nan 0.000 0.424 344 I N 0.895 121.470 120.570 0.008 0.000 2.208 344 I HA -0.235 3.934 4.170 -0.001 0.000 0.245 344 I C 1.978 178.132 176.117 0.063 0.000 1.097 344 I CA 1.011 62.325 61.300 0.024 0.000 1.363 344 I CB -0.221 37.785 38.000 0.011 0.000 1.051 344 I HN 0.042 nan 8.210 nan 0.000 0.413 345 I N 0.455 121.080 120.570 0.092 0.000 2.233 345 I HA -0.259 3.910 4.170 -0.001 0.000 0.243 345 I C 2.467 178.720 176.117 0.226 0.000 1.093 345 I CA 1.431 62.845 61.300 0.190 0.000 1.380 345 I CB -0.250 37.876 38.000 0.211 0.000 1.067 345 I HN 0.109 nan 8.210 nan 0.000 0.413 346 I N 0.906 121.558 120.570 0.137 0.000 2.118 346 I HA -0.353 3.817 4.170 -0.001 0.000 0.241 346 I C 2.107 178.287 176.117 0.105 0.000 1.070 346 I CA 1.575 62.944 61.300 0.115 0.000 1.327 346 I CB -0.513 37.519 38.000 0.054 0.000 1.034 346 I HN 0.250 nan 8.210 nan 0.000 0.405 347 D N 0.245 120.686 120.400 0.067 0.000 2.144 347 D HA -0.145 4.494 4.640 -0.001 0.000 0.199 347 D C 2.220 178.540 176.300 0.034 0.000 0.984 347 D CA 1.544 55.570 54.000 0.043 0.000 0.834 347 D CB -0.434 40.382 40.800 0.027 0.000 0.955 347 D HN 0.299 nan 8.370 nan 0.000 0.465 348 T N 0.291 114.857 114.554 0.021 0.000 2.674 348 T HA -0.141 4.209 4.350 -0.001 0.000 0.265 348 T C 1.809 176.426 174.700 -0.138 0.000 1.039 348 T CA 0.934 62.990 62.100 -0.074 0.000 1.150 348 T CB -0.470 68.325 68.868 -0.122 0.000 0.864 348 T HN 0.090 nan 8.240 nan 0.000 0.427 349 F N 1.621 121.573 119.950 0.002 0.000 2.206 349 F HA -0.062 4.464 4.527 -0.001 0.000 0.298 349 F C 2.947 178.768 175.800 0.035 0.000 1.090 349 F CA 1.313 59.294 58.000 -0.030 0.000 1.323 349 F CB -1.119 37.765 39.000 -0.194 0.000 1.028 349 F HN 0.248 nan 8.300 nan 0.000 0.492 350 T N -2.529 112.119 114.554 0.158 0.000 2.821 350 T HA -0.197 4.152 4.350 -0.001 0.000 0.267 350 T C 2.231 176.965 174.700 0.057 0.000 1.046 350 T CA 1.357 63.506 62.100 0.082 0.000 1.139 350 T CB -0.969 67.922 68.868 0.039 0.000 0.871 350 T HN 0.313 nan 8.240 nan 0.000 0.454 351 S N 1.834 117.560 115.700 0.043 0.000 2.399 351 S HA 0.061 4.530 4.470 -0.001 0.000 0.231 351 S C 1.974 176.592 174.600 0.031 0.000 1.022 351 S CA 0.748 58.962 58.200 0.023 0.000 0.983 351 S CB -0.935 62.270 63.200 0.008 0.000 0.803 351 S HN 0.569 nan 8.310 nan 0.000 0.480 352 L N 1.036 122.295 121.223 0.060 0.000 2.599 352 L HA 0.282 4.621 4.340 -0.001 0.000 0.230 352 L C 1.807 178.716 176.870 0.064 0.000 1.141 352 L CA 0.394 55.286 54.840 0.087 0.000 0.877 352 L CB -0.659 41.498 42.059 0.162 0.000 1.009 352 L HN 0.642 nan 8.230 nan 0.000 0.447 353 G N -1.281 107.546 108.800 0.044 0.000 2.132 353 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.234 353 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.234 353 G C -0.085 174.764 174.900 -0.085 0.000 0.989 353 G CA -0.469 44.630 45.100 -0.001 0.000 0.676 353 G HN 0.234 nan 8.290 nan 0.000 0.522 354 Y N 0.926 121.191 120.300 -0.057 0.000 2.307 354 Y HA 0.444 4.994 4.550 -0.001 0.000 0.324 354 Y C 0.794 176.608 175.900 -0.143 0.000 1.238 354 Y CA -0.556 57.431 58.100 -0.187 0.000 1.280 354 Y CB 0.692 38.919 38.460 -0.388 0.000 1.248 354 Y HN 0.046 nan 8.280 nan 0.000 0.508 355 D N 1.979 122.390 120.400 0.018 0.000 2.343 355 D HA 0.255 4.895 4.640 -0.001 0.000 0.255 355 D C -0.908 175.276 176.300 -0.192 0.000 1.187 355 D CA 0.280 54.225 54.000 -0.092 0.000 0.875 355 D CB 1.006 41.838 40.800 0.053 0.000 1.136 355 D HN 0.123 nan 8.370 nan 0.000 0.469 356 V N 3.778 123.452 119.914 -0.401 0.000 2.588 356 V HA 0.390 4.509 4.120 -0.001 0.000 0.304 356 V C -0.736 175.079 176.094 -0.465 0.000 1.042 356 V CA -0.798 61.331 62.300 -0.285 0.000 0.877 356 V CB 1.093 32.848 31.823 -0.112 0.000 0.996 356 V HN 0.365 nan 8.190 nan 0.000 0.425 357 Y N 1.596 121.995 120.300 0.165 0.000 2.630 357 Y HA 0.858 5.407 4.550 -0.001 0.000 0.337 357 Y C 0.913 176.853 175.900 0.066 0.000 1.051 357 Y CA 0.251 58.463 58.100 0.186 0.000 1.121 357 Y CB 1.934 40.612 38.460 0.363 0.000 1.299 357 Y HN 1.001 nan 8.280 nan 0.000 0.498 358 G N 0.282 109.165 108.800 0.138 0.000 2.593 358 G HA2 0.182 4.141 3.960 -0.001 0.000 0.237 358 G HA3 0.182 4.141 3.960 -0.001 0.000 0.237 358 G C 0.817 175.715 174.900 -0.002 0.000 1.312 358 G CA 0.161 45.251 45.100 -0.017 0.000 0.896 358 G HN 1.958 nan 8.290 nan 0.000 0.574 359 G N -1.331 107.440 108.800 -0.048 0.000 2.196 359 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.268 359 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.268 359 G C 1.144 176.031 174.900 -0.022 0.000 0.975 359 G CA 2.025 47.096 45.100 -0.049 0.000 0.648 359 G HN 1.676 nan 8.290 nan 0.000 0.538 360 K N 0.032 120.429 120.400 -0.006 0.000 2.190 360 K HA 0.199 4.518 4.320 -0.001 0.000 0.202 360 K C 1.620 178.241 176.600 0.034 0.000 1.045 360 K CA 1.231 57.530 56.287 0.020 0.000 0.976 360 K CB -0.004 32.517 32.500 0.034 0.000 0.849 360 K HN 0.226 nan 8.250 nan 0.000 0.468 361 N N 0.112 118.827 118.700 0.025 0.000 2.204 361 N HA 0.279 5.018 4.740 -0.001 0.000 0.219 361 N C -1.146 174.401 175.510 0.061 0.000 1.151 361 N CA 0.368 53.455 53.050 0.062 0.000 0.867 361 N CB 1.620 40.142 38.487 0.059 0.000 1.043 361 N HN 0.210 nan 8.380 nan 0.000 0.516 362 A N 0.685 123.483 122.820 -0.037 0.000 2.608 362 A HA 0.509 4.828 4.320 -0.001 0.000 0.292 362 A C -2.631 174.693 177.584 -0.434 0.000 1.066 362 A CA -0.844 51.038 52.037 -0.258 0.000 0.676 362 A CB 1.500 20.308 19.000 -0.320 0.000 1.277 362 A HN -0.172 nan 8.150 nan 0.000 0.413 363 P HA 0.262 nan 4.420 nan 0.000 0.249 363 P C -1.054 175.588 177.300 -1.097 0.000 1.544 363 P CA 0.462 62.950 63.100 -1.020 0.000 0.932 363 P CB -0.500 30.242 31.700 -1.596 0.000 1.524 364 Y N -1.143 118.888 120.300 -0.448 0.000 2.446 364 Y HA 0.420 4.969 4.550 -0.001 0.000 0.345 364 Y C 0.305 176.079 175.900 -0.210 0.000 0.984 364 Y CA -1.397 56.504 58.100 -0.331 0.000 1.058 364 Y CB 2.002 40.219 38.460 -0.405 0.000 1.220 364 Y HN -0.349 nan 8.280 nan 0.000 0.455 365 V N 2.455 122.403 119.914 0.056 0.000 2.495 365 V HA 0.257 4.377 4.120 -0.001 0.000 0.298 365 V C -1.034 175.129 176.094 0.115 0.000 1.031 365 V CA -1.131 61.194 62.300 0.043 0.000 0.871 365 V CB 1.946 33.770 31.823 0.002 0.000 0.988 365 V HN 0.866 nan 8.190 nan 0.000 0.432 366 W N 5.747 126.983 121.300 -0.107 0.000 2.338 366 W HA 0.653 5.313 4.660 -0.001 0.000 0.315 366 W C -1.593 175.007 176.519 0.135 0.000 1.005 366 W CA -0.667 56.647 57.345 -0.052 0.000 1.380 366 W CB 1.748 31.110 29.460 -0.163 0.000 1.235 366 W HN 0.390 nan 8.180 nan 0.000 0.409 367 V N 5.660 125.495 119.914 -0.133 0.000 2.370 367 V HA 0.068 4.187 4.120 -0.001 0.000 0.283 367 V C -0.080 175.878 176.094 -0.227 0.000 1.023 367 V CA -0.566 61.557 62.300 -0.296 0.000 0.857 367 V CB 1.162 32.516 31.823 -0.781 0.000 0.985 367 V HN 0.381 nan 8.190 nan 0.000 0.443 368 H N 4.686 123.551 119.070 -0.341 0.000 2.742 368 H HA 0.440 4.995 4.556 -0.001 0.000 0.302 368 H C -1.138 173.890 175.328 -0.501 0.000 1.069 368 H CA -0.777 54.895 56.048 -0.627 0.000 1.446 368 H CB 0.432 29.915 29.762 -0.465 0.000 1.462 368 H HN 0.460 nan 8.280 nan 0.000 0.499 369 F N 7.784 127.267 119.950 -0.780 0.000 2.310 369 F HA 0.277 4.803 4.527 -0.001 0.000 0.365 369 F C -2.003 173.395 175.800 -0.671 0.000 1.080 369 F CA -2.341 55.340 58.000 -0.531 0.000 1.187 369 F CB 0.900 39.679 39.000 -0.367 0.000 1.465 369 F HN 0.499 nan 8.300 nan 0.000 0.496 370 P HA -0.040 nan 4.420 nan 0.000 0.271 370 P C 0.154 177.358 177.300 -0.161 0.000 1.218 370 P CA 0.231 63.059 63.100 -0.454 0.000 0.780 370 P CB 0.747 32.292 31.700 -0.259 0.000 0.901 371 N N 0.017 118.658 118.700 -0.098 0.000 2.741 371 N HA -0.192 4.548 4.740 -0.001 0.000 0.250 371 N C -0.752 174.747 175.510 -0.018 0.000 1.115 371 N CA 0.920 53.949 53.050 -0.036 0.000 0.724 371 N CB -0.520 37.956 38.487 -0.018 0.000 1.090 371 N HN 0.632 nan 8.380 nan 0.000 0.558 372 Q N -0.305 119.476 119.800 -0.032 0.000 2.379 372 Q HA 0.385 4.724 4.340 -0.001 0.000 0.278 372 Q C -0.423 175.564 176.000 -0.023 0.000 1.068 372 Q CA -0.700 55.096 55.803 -0.012 0.000 0.816 372 Q CB 1.786 30.526 28.738 0.005 0.000 1.387 372 Q HN 0.232 nan 8.270 nan 0.000 0.413 373 S N -0.032 115.671 115.700 0.006 0.000 2.565 373 S HA 0.120 4.589 4.470 -0.001 0.000 0.276 373 S C 1.000 175.597 174.600 -0.005 0.000 1.326 373 S CA 0.132 58.350 58.200 0.029 0.000 1.045 373 S CB 1.119 64.368 63.200 0.083 0.000 0.918 373 S HN 0.769 nan 8.310 nan 0.000 0.505 374 S N 2.593 118.273 115.700 -0.033 0.000 2.402 374 S HA -0.127 4.342 4.470 -0.001 0.000 0.229 374 S C 1.331 175.862 174.600 -0.115 0.000 1.021 374 S CA 0.611 58.728 58.200 -0.139 0.000 0.974 374 S CB -1.040 62.055 63.200 -0.175 0.000 0.800 374 S HN 0.898 nan 8.310 nan 0.000 0.484 375 W N 2.310 123.596 121.300 -0.023 0.000 2.363 375 W HA -0.035 4.624 4.660 -0.001 0.000 0.296 375 W C 2.026 178.588 176.519 0.071 0.000 1.212 375 W CA 0.856 58.204 57.345 0.004 0.000 1.260 375 W CB -0.218 29.216 29.460 -0.042 0.000 1.131 375 W HN 0.294 nan 8.180 nan 0.000 0.530 376 D N -0.508 120.028 120.400 0.227 0.000 2.149 376 D HA -0.142 4.498 4.640 -0.001 0.000 0.201 376 D C 2.274 178.606 176.300 0.053 0.000 0.972 376 D CA 1.279 55.359 54.000 0.134 0.000 0.835 376 D CB -0.703 40.143 40.800 0.077 0.000 0.966 376 D HN -0.013 nan 8.370 nan 0.000 0.476 377 V N 1.108 120.991 119.914 -0.053 0.000 2.295 377 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 377 V C 2.185 178.187 176.094 -0.153 0.000 1.049 377 V CA 1.308 63.472 62.300 -0.227 0.000 1.024 377 V CB -0.646 30.806 31.823 -0.619 0.000 0.648 377 V HN 0.109 nan 8.190 nan 0.000 0.447 378 F N 1.831 121.661 119.950 -0.200 0.000 2.065 378 F HA -0.269 4.257 4.527 -0.001 0.000 0.298 378 F C 2.279 178.065 175.800 -0.023 0.000 1.112 378 F CA 1.973 59.897 58.000 -0.127 0.000 1.212 378 F CB -0.597 38.314 39.000 -0.149 0.000 0.975 378 F HN 0.073 nan 8.300 nan 0.000 0.476 379 A N -0.182 122.694 122.820 0.094 0.000 1.902 379 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 379 A C 2.266 179.796 177.584 -0.091 0.000 1.181 379 A CA 1.767 53.816 52.037 0.021 0.000 0.623 379 A CB -1.076 18.049 19.000 0.208 0.000 0.818 379 A HN 0.644 nan 8.150 nan 0.000 0.443 380 E N -0.172 119.991 120.200 -0.061 0.000 2.047 380 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 380 E C 1.891 178.423 176.600 -0.114 0.000 0.987 380 E CA 1.212 57.574 56.400 -0.063 0.000 0.799 380 E CB -0.225 29.459 29.700 -0.026 0.000 0.752 380 E HN 0.652 nan 8.360 nan 0.000 0.449 381 I N 0.794 121.283 120.570 -0.136 0.000 2.226 381 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 381 I C 2.530 178.518 176.117 -0.215 0.000 1.100 381 I CA 0.547 61.785 61.300 -0.104 0.000 1.374 381 I CB -0.211 37.788 38.000 -0.001 0.000 1.057 381 I HN 0.259 nan 8.210 nan 0.000 0.413 382 L N 1.040 122.040 121.223 -0.371 0.000 2.027 382 L HA -0.201 4.138 4.340 -0.001 0.000 0.206 382 L C 2.422 179.058 176.870 -0.390 0.000 1.074 382 L CA 1.969 56.523 54.840 -0.476 0.000 0.745 382 L CB -0.727 40.937 42.059 -0.658 0.000 0.898 382 L HN 0.168 nan 8.230 nan 0.000 0.433 383 E N 0.042 120.134 120.200 -0.180 0.000 2.058 383 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 383 E C 2.110 178.597 176.600 -0.188 0.000 0.997 383 E CA 1.917 58.323 56.400 0.010 0.000 0.801 383 E CB -0.105 29.628 29.700 0.055 0.000 0.746 383 E HN 0.527 nan 8.360 nan 0.000 0.450 384 K N -1.242 119.019 120.400 -0.232 0.000 2.211 384 K HA 0.044 4.363 4.320 -0.001 0.000 0.201 384 K C 1.849 178.237 176.600 -0.352 0.000 1.052 384 K CA 1.444 57.577 56.287 -0.256 0.000 0.973 384 K CB 0.264 32.664 32.500 -0.166 0.000 0.766 384 K HN 0.314 nan 8.250 nan 0.000 0.466 385 T N -3.270 111.072 114.554 -0.352 0.000 3.003 385 T HA 0.048 4.398 4.350 -0.001 0.000 0.261 385 T C 0.153 174.742 174.700 -0.184 0.000 1.003 385 T CA -0.363 61.590 62.100 -0.245 0.000 0.917 385 T CB 0.011 68.776 68.868 -0.171 0.000 1.084 385 T HN 0.190 nan 8.240 nan 0.000 0.522 386 H N 0.018 119.019 119.070 -0.116 0.000 2.791 386 H HA -0.102 4.453 4.556 -0.001 0.000 0.302 386 H C -0.602 174.634 175.328 -0.152 0.000 1.198 386 H CA 0.602 56.566 56.048 -0.141 0.000 1.145 386 H CB -2.482 27.300 29.762 0.033 0.000 1.385 386 H HN 0.382 nan 8.280 nan 0.000 0.409 387 V N 1.209 121.056 119.914 -0.111 0.000 2.459 387 V HA 0.325 4.445 4.120 -0.001 0.000 0.295 387 V C 0.777 176.832 176.094 -0.065 0.000 1.029 387 V CA -0.868 61.396 62.300 -0.060 0.000 0.874 387 V CB 2.427 34.196 31.823 -0.090 0.000 0.985 387 V HN 0.094 nan 8.190 nan 0.000 0.438 388 V N 4.786 124.702 119.914 0.004 0.000 2.432 388 V HA 0.542 4.661 4.120 -0.001 0.000 0.275 388 V C 0.675 176.877 176.094 0.181 0.000 1.043 388 V CA -0.049 62.279 62.300 0.048 0.000 0.925 388 V CB 1.145 33.057 31.823 0.149 0.000 0.985 388 V HN 1.095 nan 8.190 nan 0.000 0.466 389 T N 1.227 115.920 114.554 0.230 0.000 2.718 389 T HA 0.632 4.982 4.350 -0.001 0.000 0.267 389 T C -0.238 174.679 174.700 0.361 0.000 0.957 389 T CA -0.739 61.526 62.100 0.275 0.000 1.025 389 T CB 1.971 70.942 68.868 0.172 0.000 1.355 389 T HN 0.498 nan 8.240 nan 0.000 0.572 390 T N 2.991 117.674 114.554 0.216 0.000 2.841 390 T HA 0.568 4.917 4.350 -0.001 0.000 0.285 390 T C -2.899 171.767 174.700 -0.057 0.000 0.991 390 T CA -1.152 60.985 62.100 0.062 0.000 0.966 390 T CB 1.620 70.620 68.868 0.220 0.000 0.962 390 T HN 0.537 nan 8.240 nan 0.000 0.438 391 P HA 0.177 nan 4.420 nan 0.000 0.271 391 P C 1.068 178.251 177.300 -0.195 0.000 1.216 391 P CA -0.122 62.671 63.100 -0.513 0.000 0.771 391 P CB 0.840 31.755 31.700 -1.309 0.000 0.864 392 G N 2.819 111.631 108.800 0.021 0.000 2.432 392 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.219 392 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.219 392 G C 1.547 176.653 174.900 0.344 0.000 1.135 392 G CA 0.947 46.289 45.100 0.404 0.000 0.767 392 G HN 0.596 nan 8.290 nan 0.000 0.550 393 S N 0.515 116.254 115.700 0.066 0.000 2.469 393 S HA 0.061 4.530 4.470 -0.001 0.000 0.238 393 S C 2.358 176.961 174.600 0.006 0.000 0.998 393 S CA 1.268 59.513 58.200 0.076 0.000 0.957 393 S CB -0.512 62.739 63.200 0.085 0.000 0.764 393 S HN 0.396 nan 8.310 nan 0.000 0.514 394 G N 0.218 108.886 108.800 -0.220 0.000 2.498 394 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.219 394 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.219 394 G C 0.688 175.258 174.900 -0.550 0.000 1.119 394 G CA 0.333 45.165 45.100 -0.447 0.000 0.766 394 G HN 0.632 nan 8.290 nan 0.000 0.552 395 F N 0.793 120.687 119.950 -0.094 0.000 2.641 395 F HA 0.459 4.985 4.527 -0.001 0.000 0.302 395 F C 1.388 177.203 175.800 0.026 0.000 1.098 395 F CA 0.297 58.253 58.000 -0.072 0.000 1.318 395 F CB 0.512 39.442 39.000 -0.116 0.000 1.035 395 F HN 0.317 nan 8.300 nan 0.000 0.551 396 G N 0.761 109.680 108.800 0.198 0.000 2.423 396 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.684 396 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.684 396 G C -2.347 172.658 174.900 0.175 0.000 1.309 396 G CA -0.706 44.529 45.100 0.225 0.000 0.950 396 G HN -0.162 nan 8.290 nan 0.000 0.587 397 P HA -0.010 nan 4.420 nan 0.000 0.219 397 P C 1.898 179.264 177.300 0.111 0.000 1.150 397 P CA 1.902 65.033 63.100 0.051 0.000 0.814 397 P CB -0.183 31.464 31.700 -0.088 0.000 0.787 398 G N -0.050 108.827 108.800 0.128 0.000 2.535 398 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.218 398 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.218 398 G C 1.581 176.649 174.900 0.281 0.000 1.122 398 G CA 0.678 45.880 45.100 0.170 0.000 0.769 398 G HN 0.422 nan 8.290 nan 0.000 0.549 399 G N -0.364 108.633 108.800 0.329 0.000 2.838 399 G HA2 0.159 4.118 3.960 -0.001 0.000 0.210 399 G HA3 0.159 4.118 3.960 -0.001 0.000 0.210 399 G C 0.545 175.696 174.900 0.418 0.000 1.153 399 G CA -0.067 45.342 45.100 0.514 0.000 0.778 399 G HN 0.401 nan 8.290 nan 0.000 0.539 400 E N 0.490 120.865 120.200 0.292 0.000 2.452 400 E HA 0.368 4.717 4.350 -0.001 0.000 0.261 400 E C 1.359 178.081 176.600 0.204 0.000 0.987 400 E CA 0.929 57.446 56.400 0.194 0.000 0.926 400 E CB 0.198 29.979 29.700 0.135 0.000 0.934 400 E HN 0.424 nan 8.360 nan 0.000 0.452 401 G N 2.928 111.756 108.800 0.047 0.000 2.176 401 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.253 401 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.253 401 G C -0.072 174.615 174.900 -0.355 0.000 0.979 401 G CA 0.138 45.157 45.100 -0.136 0.000 0.641 401 G HN 0.368 nan 8.290 nan 0.000 0.530 402 F N -0.610 119.198 119.950 -0.238 0.000 2.556 402 F HA 0.771 5.297 4.527 -0.001 0.000 0.327 402 F C 0.313 175.805 175.800 -0.514 0.000 1.059 402 F CA -1.156 56.496 58.000 -0.579 0.000 0.953 402 F CB 2.380 40.436 39.000 -1.573 0.000 1.227 402 F HN -0.004 nan 8.300 nan 0.000 0.478 403 V N 2.066 121.813 119.914 -0.279 0.000 2.588 403 V HA 0.455 4.574 4.120 -0.001 0.000 0.304 403 V C -0.456 175.586 176.094 -0.086 0.000 1.042 403 V CA -1.019 61.169 62.300 -0.187 0.000 0.877 403 V CB 1.941 33.601 31.823 -0.272 0.000 0.996 403 V HN 0.653 nan 8.190 nan 0.000 0.425 404 R N 2.987 123.558 120.500 0.120 0.000 2.308 404 R HA 0.682 5.022 4.340 -0.001 0.000 0.305 404 R C -1.417 174.947 176.300 0.107 0.000 1.053 404 R CA -0.268 55.943 56.100 0.185 0.000 0.957 404 R CB 1.429 31.795 30.300 0.110 0.000 1.022 404 R HN 0.546 nan 8.270 nan 0.000 0.461 405 V N 3.434 123.399 119.914 0.085 0.000 2.409 405 V HA 0.191 4.310 4.120 -0.001 0.000 0.291 405 V C 0.102 176.305 176.094 0.182 0.000 1.020 405 V CA -0.696 61.678 62.300 0.123 0.000 0.848 405 V CB 1.512 33.366 31.823 0.051 0.000 0.990 405 V HN 0.840 nan 8.190 nan 0.000 0.430 406 S N 3.746 119.586 115.700 0.233 0.000 2.565 406 S HA 0.536 5.005 4.470 -0.001 0.000 0.274 406 S C 1.062 175.654 174.600 -0.014 0.000 1.309 406 S CA 0.189 58.492 58.200 0.173 0.000 1.043 406 S CB 1.525 64.924 63.200 0.331 0.000 0.939 406 S HN 1.043 nan 8.310 nan 0.000 0.504 407 A N 4.355 126.985 122.820 -0.317 0.000 2.308 407 A HA 0.358 4.677 4.320 -0.001 0.000 0.217 407 A C 0.062 177.495 177.584 -0.251 0.000 1.216 407 A CA -0.330 51.547 52.037 -0.267 0.000 0.864 407 A CB -0.339 18.471 19.000 -0.317 0.000 0.902 407 A HN 0.712 nan 8.150 nan 0.000 0.499 408 F N 0.836 120.697 119.950 -0.148 0.000 2.502 408 F HA 0.478 5.004 4.527 -0.001 0.000 0.371 408 F C 1.105 176.927 175.800 0.037 0.000 1.083 408 F CA 0.590 58.461 58.000 -0.215 0.000 1.174 408 F CB 0.438 39.233 39.000 -0.342 0.000 1.096 408 F HN 0.227 nan 8.300 nan 0.000 0.545 409 G N 1.989 111.031 108.800 0.404 0.000 2.355 409 G HA2 0.188 4.148 3.960 -0.001 0.000 0.296 409 G HA3 0.188 4.148 3.960 -0.001 0.000 0.296 409 G C -1.671 173.483 174.900 0.424 0.000 1.507 409 G CA -1.141 44.117 45.100 0.263 0.000 0.823 409 G HN 0.435 nan 8.290 nan 0.000 0.569 410 H N 0.230 119.518 119.070 0.364 0.000 2.948 410 H HA 0.166 4.722 4.556 -0.001 0.000 0.351 410 H C 1.712 177.240 175.328 0.334 0.000 1.079 410 H CA 0.216 56.483 56.048 0.365 0.000 1.407 410 H CB 1.314 31.204 29.762 0.213 0.000 1.373 410 H HN 0.644 nan 8.280 nan 0.000 0.605 411 R N 1.662 122.485 120.500 0.538 0.000 2.091 411 R HA -0.131 4.208 4.340 -0.001 0.000 0.238 411 R C 1.494 177.906 176.300 0.187 0.000 1.136 411 R CA 1.494 57.770 56.100 0.293 0.000 0.959 411 R CB -0.092 30.393 30.300 0.309 0.000 0.856 411 R HN 0.575 nan 8.270 nan 0.000 0.437 412 E N 0.324 120.640 120.200 0.193 0.000 2.150 412 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 412 E C 1.535 178.202 176.600 0.112 0.000 0.985 412 E CA 0.902 57.378 56.400 0.126 0.000 0.814 412 E CB -0.306 29.458 29.700 0.107 0.000 0.752 412 E HN 0.394 nan 8.360 nan 0.000 0.466 413 N N 0.681 119.474 118.700 0.155 0.000 2.188 413 N HA -0.086 4.653 4.740 -0.001 0.000 0.184 413 N C 1.811 177.365 175.510 0.073 0.000 1.018 413 N CA 0.555 53.671 53.050 0.111 0.000 0.858 413 N CB -0.127 38.440 38.487 0.134 0.000 0.989 413 N HN 0.148 nan 8.380 nan 0.000 0.426 414 I N 1.339 121.967 120.570 0.097 0.000 2.179 414 I HA -0.170 3.999 4.170 -0.001 0.000 0.242 414 I C 2.246 178.388 176.117 0.041 0.000 1.088 414 I CA 0.770 62.114 61.300 0.072 0.000 1.357 414 I CB -1.179 36.859 38.000 0.063 0.000 1.051 414 I HN 0.088 nan 8.210 nan 0.000 0.409 415 L N 0.276 121.523 121.223 0.040 0.000 2.012 415 L HA -0.239 4.100 4.340 -0.001 0.000 0.210 415 L C 2.617 179.481 176.870 -0.010 0.000 1.073 415 L CA 1.523 56.376 54.840 0.020 0.000 0.748 415 L CB -0.576 41.501 42.059 0.030 0.000 0.891 415 L HN 0.214 nan 8.230 nan 0.000 0.431 416 E N 0.548 120.741 120.200 -0.011 0.000 2.077 416 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 416 E C 2.098 178.624 176.600 -0.123 0.000 0.989 416 E CA 1.585 57.959 56.400 -0.043 0.000 0.800 416 E CB -0.167 29.523 29.700 -0.017 0.000 0.746 416 E HN 0.354 nan 8.360 nan 0.000 0.452 417 A N -0.023 122.703 122.820 -0.156 0.000 1.908 417 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 417 A C 2.617 179.862 177.584 -0.565 0.000 1.181 417 A CA 1.644 53.444 52.037 -0.394 0.000 0.627 417 A CB -1.106 17.722 19.000 -0.287 0.000 0.818 417 A HN 0.513 nan 8.150 nan 0.000 0.445 418 C N -0.599 118.588 119.300 -0.188 0.000 2.440 418 C HA -0.053 4.406 4.460 -0.001 0.000 0.278 418 C C 2.902 177.854 174.990 -0.062 0.000 1.295 418 C CA 1.154 60.161 59.018 -0.019 0.000 1.738 418 C CB -1.311 26.460 27.740 0.052 0.000 1.987 418 C HN 0.847 nan 8.230 nan 0.000 0.492 419 R N 1.542 121.993 120.500 -0.081 0.000 2.096 419 R HA -0.085 4.254 4.340 -0.001 0.000 0.235 419 R C 2.077 178.327 176.300 -0.082 0.000 1.127 419 R CA 1.586 57.650 56.100 -0.060 0.000 0.968 419 R CB -0.568 29.708 30.300 -0.040 0.000 0.861 419 R HN 0.450 nan 8.270 nan 0.000 0.440 420 R N -0.335 120.067 120.500 -0.164 0.000 2.081 420 R HA -0.068 4.271 4.340 -0.001 0.000 0.235 420 R C 2.028 178.253 176.300 -0.126 0.000 1.131 420 R CA 1.688 57.679 56.100 -0.181 0.000 0.960 420 R CB -0.437 29.703 30.300 -0.267 0.000 0.856 420 R HN 0.217 nan 8.270 nan 0.000 0.436 421 F N 1.386 121.298 119.950 -0.064 0.000 2.134 421 F HA -0.138 4.388 4.527 -0.001 0.000 0.299 421 F C 2.203 177.984 175.800 -0.032 0.000 1.097 421 F CA 1.180 59.148 58.000 -0.053 0.000 1.264 421 F CB -0.478 38.422 39.000 -0.167 0.000 1.001 421 F HN -0.092 nan 8.300 nan 0.000 0.479 422 K N -0.330 120.138 120.400 0.113 0.000 2.026 422 K HA -0.229 4.090 4.320 -0.001 0.000 0.208 422 K C 2.122 178.737 176.600 0.025 0.000 1.048 422 K CA 1.483 57.804 56.287 0.056 0.000 0.929 422 K CB -0.356 32.146 32.500 0.002 0.000 0.713 422 K HN 0.113 nan 8.250 nan 0.000 0.439 423 Q N 1.296 121.094 119.800 -0.002 0.000 2.061 423 Q HA -0.172 4.167 4.340 -0.001 0.000 0.204 423 Q C 1.963 177.965 176.000 0.003 0.000 0.984 423 Q CA 1.345 57.143 55.803 -0.008 0.000 0.846 423 Q CB -0.326 28.406 28.738 -0.009 0.000 0.902 423 Q HN 0.198 nan 8.270 nan 0.000 0.421 424 L N -0.914 120.276 121.223 -0.054 0.000 2.042 424 L HA -0.163 4.177 4.340 -0.001 0.000 0.210 424 L C 1.329 178.154 176.870 -0.075 0.000 1.076 424 L CA 1.924 56.661 54.840 -0.171 0.000 0.749 424 L CB -0.442 41.339 42.059 -0.464 0.000 0.893 424 L HN 0.347 nan 8.230 nan 0.000 0.432 425 Y N -0.761 119.652 120.300 0.188 0.000 2.442 425 Y HA 0.108 4.657 4.550 -0.001 0.000 0.250 425 Y C 2.143 178.145 175.900 0.171 0.000 1.113 425 Y CA 0.335 58.583 58.100 0.247 0.000 1.273 425 Y CB -0.391 38.225 38.460 0.259 0.000 1.138 425 Y HN 0.267 nan 8.280 nan 0.000 0.522 426 K N -0.545 119.930 120.400 0.125 0.000 2.147 426 K HA -0.156 4.163 4.320 -0.001 0.000 0.205 426 K C 0.664 177.154 176.600 -0.183 0.000 1.049 426 K CA 1.828 58.064 56.287 -0.086 0.000 0.936 426 K CB -0.390 31.953 32.500 -0.261 0.000 0.722 426 K HN 0.314 nan 8.250 nan 0.000 0.446 427 H N -0.213 118.869 119.070 0.020 0.000 2.526 427 H HA 0.130 4.686 4.556 -0.001 0.000 0.274 427 H C 0.804 175.923 175.328 -0.349 0.000 0.999 427 H CA 0.397 56.340 56.048 -0.176 0.000 1.157 427 H CB 0.282 29.892 29.762 -0.253 0.000 1.407 427 H HN 0.431 nan 8.280 nan 0.000 0.568 428 H N -1.857 117.330 119.070 0.195 0.000 3.091 428 H HA 0.149 4.704 4.556 -0.001 0.000 0.249 428 H C 0.502 175.894 175.328 0.108 0.000 0.985 428 H CA 0.070 56.221 56.048 0.172 0.000 1.177 428 H CB 1.685 31.595 29.762 0.246 0.000 1.456 428 H HN 0.274 nan 8.280 nan 0.000 0.467 429 H N 0.000 119.133 119.070 0.105 0.000 2.539 429 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 429 H CA 0.000 56.013 56.048 -0.058 0.000 1.023 429 H CB 0.000 29.652 29.762 -0.183 0.000 1.292 429 H HN 0.000 nan 8.280 nan 0.000 0.496