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 3euq_1_D DATA FIRST_RESID 10 DATA SEQUENCE LGLSITGLGV QYPPYSLGPD AIDILSKRYH PESPAMKKVL AINRYTGIDQ DATA SEQUENCE RSSIGNPDHP LVNKPNPPTV KELHEVFMSD GVPLAVEASR KAMAEARLVP DATA SEQUENCE AQITHMVSTT CTDSANPGYD HYVAKELGLS DRLEKVLLHG IGXSGGLAAL DATA SEQUENCE RTAANLCLGH TARGKPARIL VLALEVSTTM VRSELESIDA LQETRIGIAL DATA SEQUENCE FSDCASAVIL SNGIGEAPGK PAIYDLLGWE NRVIPDSEHD LGGDVDPMGW DATA SEQUENCE KVVLSPRVPV LAKASLQPTY ADLLSSLQDQ LPSSYQKPAD FDWAMHPGGA DATA SEQUENCE TILSGAESAM GLTPEHMRAS YDRYINHGNS SSATIFSVLN RLREKDMDAL DATA SEQUENCE APGGKVKEYV VGCAFGPGIN VEMCMLKRR 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 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.911 176.870 0.069 0.000 1.165 10 L CA 0.000 54.881 54.840 0.069 0.000 0.813 10 L CB 0.000 42.122 42.059 0.105 0.000 0.961 11 G N 2.271 111.104 108.800 0.056 0.000 2.198 11 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.260 11 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.260 11 G C -0.061 174.865 174.900 0.045 0.000 1.025 11 G CA 0.523 45.650 45.100 0.044 0.000 0.769 11 G HN 0.205 nan 8.290 nan 0.000 0.507 12 L N 1.298 122.559 121.223 0.062 0.000 2.272 12 L HA 0.694 5.032 4.340 -0.003 0.000 0.289 12 L C 0.526 177.424 176.870 0.046 0.000 1.032 12 L CA -0.158 54.713 54.840 0.053 0.000 0.810 12 L CB 1.821 43.931 42.059 0.084 0.000 1.205 12 L HN 0.423 nan 8.230 nan 0.000 0.422 13 S N 2.978 118.690 115.700 0.021 0.000 2.546 13 S HA 0.645 5.114 4.470 -0.003 0.000 0.274 13 S C -0.779 173.824 174.600 0.004 0.000 1.121 13 S CA -0.863 57.352 58.200 0.025 0.000 0.887 13 S CB 1.752 64.963 63.200 0.018 0.000 1.094 13 S HN 0.430 nan 8.310 nan 0.000 0.474 14 I N 2.932 123.519 120.570 0.028 0.000 2.337 14 I HA 0.223 4.391 4.170 -0.003 0.000 0.291 14 I C 1.318 177.437 176.117 0.005 0.000 1.046 14 I CA -0.337 60.967 61.300 0.007 0.000 1.324 14 I CB 1.453 39.487 38.000 0.057 0.000 1.409 14 I HN 1.020 nan 8.210 nan 0.000 0.494 15 T N 1.017 115.555 114.554 -0.028 0.000 3.040 15 T HA 0.342 4.690 4.350 -0.003 0.000 0.250 15 T C 0.588 175.265 174.700 -0.038 0.000 1.058 15 T CA -0.214 61.867 62.100 -0.032 0.000 0.988 15 T CB 0.430 69.279 68.868 -0.031 0.000 0.993 15 T HN 0.676 nan 8.240 nan 0.000 0.519 16 G N 0.647 109.420 108.800 -0.046 0.000 2.732 16 G HA2 0.588 4.546 3.960 -0.003 0.000 0.296 16 G HA3 0.588 4.546 3.960 -0.003 0.000 0.296 16 G C -2.217 172.644 174.900 -0.066 0.000 1.448 16 G CA -0.892 44.180 45.100 -0.048 0.000 0.911 16 G HN 0.245 nan 8.290 nan 0.000 0.528 17 L N 0.361 121.557 121.223 -0.044 0.000 2.422 17 L HA 0.885 5.223 4.340 -0.003 0.000 0.264 17 L C 0.362 177.217 176.870 -0.024 0.000 0.984 17 L CA -0.382 54.429 54.840 -0.049 0.000 0.819 17 L CB 2.715 44.780 42.059 0.009 0.000 1.330 17 L HN 0.941 nan 8.230 nan 0.000 0.410 18 G N 1.150 109.933 108.800 -0.028 0.000 2.719 18 G HA2 0.700 4.658 3.960 -0.003 0.000 0.298 18 G HA3 0.700 4.658 3.960 -0.003 0.000 0.298 18 G C -2.029 172.865 174.900 -0.009 0.000 1.411 18 G CA -0.537 44.556 45.100 -0.012 0.000 0.991 18 G HN 0.312 nan 8.290 nan 0.000 0.509 19 V N 1.196 121.100 119.914 -0.016 0.000 2.623 19 V HA 0.563 4.681 4.120 -0.003 0.000 0.304 19 V C -0.781 175.265 176.094 -0.080 0.000 1.054 19 V CA -0.689 61.569 62.300 -0.071 0.000 0.882 19 V CB 1.911 33.700 31.823 -0.056 0.000 1.002 19 V HN 0.747 nan 8.190 nan 0.000 0.424 20 Q N 3.781 123.493 119.800 -0.147 0.000 2.464 20 Q HA 0.475 4.814 4.340 -0.003 0.000 0.256 20 Q C -1.474 174.429 176.000 -0.160 0.000 1.020 20 Q CA -0.344 55.406 55.803 -0.090 0.000 0.716 20 Q CB 0.861 29.573 28.738 -0.045 0.000 1.230 20 Q HN 0.621 nan 8.270 nan 0.000 0.494 21 Y N 3.912 124.197 120.300 -0.026 0.000 2.397 21 Y HA 0.295 4.845 4.550 -0.001 0.000 0.335 21 Y C -1.579 174.344 175.900 0.038 0.000 1.213 21 Y CA -1.512 56.584 58.100 -0.007 0.000 1.391 21 Y CB 0.279 38.733 38.460 -0.011 0.000 1.293 21 Y HN 0.528 nan 8.280 nan 0.000 0.557 22 P HA 0.045 nan 4.420 nan 0.000 0.271 22 P C -2.258 175.209 177.300 0.279 0.000 1.233 22 P CA -1.366 61.856 63.100 0.202 0.000 0.789 22 P CB 0.498 32.280 31.700 0.136 0.000 0.951 23 P HA -0.015 nan 4.420 nan 0.000 0.223 23 P C -0.086 177.329 177.300 0.191 0.000 1.151 23 P CA 1.194 64.410 63.100 0.194 0.000 0.787 23 P CB -0.162 31.566 31.700 0.047 0.000 0.788 24 Y N -1.183 119.153 120.300 0.059 0.000 2.335 24 Y HA 0.467 5.016 4.550 -0.002 0.000 0.323 24 Y C 0.781 176.701 175.900 0.035 0.000 1.224 24 Y CA -1.090 57.036 58.100 0.044 0.000 1.241 24 Y CB 1.065 39.555 38.460 0.050 0.000 1.235 24 Y HN -0.356 nan 8.280 nan 0.000 0.492 25 S N 2.884 118.688 115.700 0.173 0.000 2.605 25 S HA 0.449 4.917 4.470 -0.003 0.000 0.308 25 S C -0.860 173.777 174.600 0.061 0.000 1.113 25 S CA -0.771 57.473 58.200 0.072 0.000 1.049 25 S CB 0.529 63.730 63.200 0.001 0.000 1.001 25 S HN 0.430 nan 8.310 nan 0.000 0.480 26 L N 3.335 124.584 121.223 0.043 0.000 2.260 26 L HA 0.532 4.870 4.340 -0.003 0.000 0.289 26 L C 1.097 177.964 176.870 -0.004 0.000 1.057 26 L CA -0.541 54.317 54.840 0.030 0.000 0.811 26 L CB 0.694 42.772 42.059 0.030 0.000 1.184 26 L HN 0.709 nan 8.230 nan 0.000 0.429 27 G N 2.931 111.728 108.800 -0.003 0.000 2.547 27 G HA2 0.327 4.285 3.960 -0.003 0.000 0.291 27 G HA3 0.327 4.285 3.960 -0.003 0.000 0.291 27 G C -1.490 173.399 174.900 -0.019 0.000 1.211 27 G CA -0.946 44.141 45.100 -0.021 0.000 0.950 27 G HN 0.473 nan 8.290 nan 0.000 0.504 28 P HA -0.139 nan 4.420 nan 0.000 0.217 28 P C 1.055 178.347 177.300 -0.014 0.000 1.148 28 P CA 1.577 64.660 63.100 -0.030 0.000 0.828 28 P CB 0.089 31.770 31.700 -0.032 0.000 0.783 29 D N 0.174 120.571 120.400 -0.005 0.000 2.348 29 D HA -0.059 4.579 4.640 -0.003 0.000 0.216 29 D C 1.761 178.071 176.300 0.016 0.000 0.970 29 D CA 0.918 54.921 54.000 0.005 0.000 0.889 29 D CB -0.736 40.068 40.800 0.007 0.000 0.912 29 D HN 0.121 nan 8.370 nan 0.000 0.524 30 A N 1.802 124.633 122.820 0.019 0.000 1.908 30 A HA -0.125 4.193 4.320 -0.003 0.000 0.218 30 A C 2.476 180.086 177.584 0.044 0.000 1.181 30 A CA 1.900 53.958 52.037 0.035 0.000 0.627 30 A CB -0.940 18.081 19.000 0.035 0.000 0.818 30 A HN 0.507 nan 8.150 nan 0.000 0.445 31 I N -2.910 117.681 120.570 0.034 0.000 2.546 31 I HA -0.104 4.064 4.170 -0.003 0.000 0.255 31 I C 1.447 177.594 176.117 0.050 0.000 1.163 31 I CA 1.917 63.245 61.300 0.046 0.000 1.457 31 I CB -0.492 37.527 38.000 0.032 0.000 1.092 31 I HN 0.029 nan 8.210 nan 0.000 0.434 32 D N 1.967 122.387 120.400 0.032 0.000 2.092 32 D HA -0.152 4.487 4.640 -0.003 0.000 0.193 32 D C 2.274 178.597 176.300 0.038 0.000 0.994 32 D CA 1.464 55.482 54.000 0.030 0.000 0.828 32 D CB -0.106 40.704 40.800 0.016 0.000 0.963 32 D HN 0.287 nan 8.370 nan 0.000 0.450 33 I N 0.447 121.040 120.570 0.038 0.000 2.127 33 I HA -0.211 3.957 4.170 -0.003 0.000 0.241 33 I C 2.453 178.604 176.117 0.057 0.000 1.075 33 I CA 1.072 62.394 61.300 0.037 0.000 1.334 33 I CB -1.080 36.944 38.000 0.041 0.000 1.040 33 I HN 0.108 nan 8.210 nan 0.000 0.405 34 L N 0.394 121.676 121.223 0.099 0.000 2.156 34 L HA -0.162 4.176 4.340 -0.003 0.000 0.208 34 L C 2.716 179.717 176.870 0.218 0.000 1.095 34 L CA 1.318 56.266 54.840 0.180 0.000 0.770 34 L CB -0.470 41.694 42.059 0.176 0.000 0.914 34 L HN 0.331 nan 8.230 nan 0.000 0.439 35 S N -0.391 115.407 115.700 0.164 0.000 2.368 35 S HA -0.241 4.227 4.470 -0.003 0.000 0.224 35 S C 2.033 176.718 174.600 0.142 0.000 1.029 35 S CA 0.973 59.293 58.200 0.200 0.000 0.988 35 S CB -0.304 62.978 63.200 0.138 0.000 0.838 35 S HN 0.313 nan 8.310 nan 0.000 0.462 36 K N 1.105 121.543 120.400 0.063 0.000 2.148 36 K HA 0.024 4.342 4.320 -0.003 0.000 0.204 36 K C 2.556 179.114 176.600 -0.070 0.000 1.050 36 K CA 0.666 56.959 56.287 0.010 0.000 0.942 36 K CB -0.159 32.340 32.500 -0.002 0.000 0.724 36 K HN 0.370 nan 8.250 nan 0.000 0.446 37 R N -0.838 119.580 120.500 -0.137 0.000 2.092 37 R HA -0.129 4.209 4.340 -0.003 0.000 0.231 37 R C 1.023 176.921 176.300 -0.670 0.000 1.119 37 R CA 1.534 57.385 56.100 -0.416 0.000 0.970 37 R CB 0.080 30.077 30.300 -0.505 0.000 0.864 37 R HN 0.221 nan 8.270 nan 0.000 0.440 38 Y N -2.372 117.856 120.300 -0.120 0.000 2.453 38 Y HA 0.282 4.830 4.550 -0.003 0.000 0.247 38 Y C -0.350 175.199 175.900 -0.584 0.000 1.124 38 Y CA -0.211 57.695 58.100 -0.324 0.000 1.243 38 Y CB 0.784 39.018 38.460 -0.376 0.000 1.213 38 Y HN 0.020 nan 8.280 nan 0.000 0.523 39 H N -0.679 118.450 119.070 0.098 0.000 2.930 39 H HA 0.354 4.908 4.556 -0.004 0.000 0.371 39 H C -2.451 172.896 175.328 0.031 0.000 1.169 39 H CA -2.202 53.886 56.048 0.067 0.000 1.157 39 H CB 1.796 31.601 29.762 0.072 0.000 1.789 39 H HN -0.205 nan 8.280 nan 0.000 0.547 40 P HA 0.033 nan 4.420 nan 0.000 0.272 40 P C -0.451 176.895 177.300 0.077 0.000 1.240 40 P CA -0.359 62.791 63.100 0.084 0.000 0.791 40 P CB 1.014 32.754 31.700 0.066 0.000 0.978 41 E N 0.111 120.339 120.200 0.048 0.000 2.414 41 E HA 0.239 4.587 4.350 -0.003 0.000 0.263 41 E C 0.057 176.675 176.600 0.030 0.000 1.000 41 E CA 0.468 56.889 56.400 0.036 0.000 0.914 41 E CB 0.272 29.987 29.700 0.025 0.000 0.948 41 E HN 0.482 nan 8.360 nan 0.000 0.444 42 S N 2.069 117.782 115.700 0.023 0.000 2.550 42 S HA 0.351 4.819 4.470 -0.003 0.000 0.270 42 S C -2.496 172.109 174.600 0.009 0.000 1.145 42 S CA -1.376 56.832 58.200 0.014 0.000 0.852 42 S CB 1.917 65.121 63.200 0.008 0.000 1.119 42 S HN 0.113 nan 8.310 nan 0.000 0.465 43 P HA -0.036 nan 4.420 nan 0.000 0.216 43 P C 1.606 178.909 177.300 0.005 0.000 1.153 43 P CA 2.222 65.327 63.100 0.008 0.000 0.858 43 P CB -0.145 31.560 31.700 0.009 0.000 0.789 44 A N -1.306 121.513 122.820 -0.001 0.000 1.930 44 A HA -0.180 4.138 4.320 -0.003 0.000 0.217 44 A C 2.225 179.803 177.584 -0.010 0.000 1.175 44 A CA 1.906 53.940 52.037 -0.005 0.000 0.627 44 A CB -1.367 17.626 19.000 -0.012 0.000 0.815 44 A HN 0.098 nan 8.150 nan 0.000 0.443 45 M N -0.234 119.358 119.600 -0.013 0.000 2.132 45 M HA -0.054 4.424 4.480 -0.003 0.000 0.263 45 M C 1.788 178.087 176.300 -0.001 0.000 1.065 45 M CA 1.825 57.119 55.300 -0.010 0.000 1.122 45 M CB -0.425 32.173 32.600 -0.003 0.000 1.365 45 M HN 0.308 nan 8.290 nan 0.000 0.411 46 K N -0.449 119.954 120.400 0.004 0.000 2.097 46 K HA -0.129 4.189 4.320 -0.003 0.000 0.206 46 K C 1.886 178.487 176.600 0.002 0.000 1.049 46 K CA 1.092 57.383 56.287 0.007 0.000 0.933 46 K CB -0.035 32.472 32.500 0.012 0.000 0.717 46 K HN 0.127 nan 8.250 nan 0.000 0.442 47 K N 0.321 120.723 120.400 0.003 0.000 2.025 47 K HA -0.072 4.246 4.320 -0.003 0.000 0.207 47 K C 2.093 178.680 176.600 -0.021 0.000 1.049 47 K CA 1.050 57.340 56.287 0.003 0.000 0.933 47 K CB -0.579 31.928 32.500 0.012 0.000 0.714 47 K HN -0.001 nan 8.250 nan 0.000 0.438 48 V N 1.922 121.822 119.914 -0.024 0.000 2.358 48 V HA -0.176 3.942 4.120 -0.003 0.000 0.246 48 V C 2.416 178.474 176.094 -0.060 0.000 1.047 48 V CA 1.318 63.593 62.300 -0.041 0.000 1.035 48 V CB -0.519 31.291 31.823 -0.023 0.000 0.658 48 V HN 0.181 nan 8.190 nan 0.000 0.452 49 L N 0.018 121.219 121.223 -0.037 0.000 2.261 49 L HA -0.162 4.176 4.340 -0.003 0.000 0.216 49 L C 2.543 179.375 176.870 -0.063 0.000 1.114 49 L CA 1.292 56.110 54.840 -0.037 0.000 0.777 49 L CB -0.641 41.412 42.059 -0.010 0.000 0.910 49 L HN 0.399 nan 8.230 nan 0.000 0.440 50 A N 0.168 122.945 122.820 -0.072 0.000 1.911 50 A HA -0.019 4.299 4.320 -0.003 0.000 0.212 50 A C 2.137 179.540 177.584 -0.303 0.000 1.189 50 A CA 0.604 52.589 52.037 -0.086 0.000 0.639 50 A CB -0.313 18.689 19.000 0.003 0.000 0.839 50 A HN 0.279 nan 8.150 nan 0.000 0.449 51 I N 0.386 120.720 120.570 -0.395 0.000 2.286 51 I HA -0.264 3.904 4.170 -0.003 0.000 0.248 51 I C 2.327 178.051 176.117 -0.655 0.000 1.115 51 I CA 1.601 62.420 61.300 -0.801 0.000 1.392 51 I CB -0.560 37.226 38.000 -0.357 0.000 1.065 51 I HN 0.412 nan 8.210 nan 0.000 0.418 52 N N 1.616 120.121 118.700 -0.325 0.000 2.182 52 N HA -0.243 4.495 4.740 -0.003 0.000 0.192 52 N C 1.809 177.202 175.510 -0.194 0.000 1.007 52 N CA 1.653 54.580 53.050 -0.206 0.000 0.873 52 N CB -0.134 38.281 38.487 -0.120 0.000 0.998 52 N HN 0.232 nan 8.380 nan 0.000 0.436 53 R N -1.289 119.080 120.500 -0.218 0.000 2.310 53 R HA 0.039 4.377 4.340 -0.003 0.000 0.202 53 R C 0.113 176.413 176.300 -0.001 0.000 0.933 53 R CA 0.544 56.589 56.100 -0.092 0.000 1.054 53 R CB 0.096 30.379 30.300 -0.028 0.000 0.985 53 R HN 0.566 nan 8.270 nan 0.000 0.489 54 Y N -2.789 117.515 120.300 0.007 0.000 2.672 54 Y HA 0.322 4.870 4.550 -0.004 0.000 0.272 54 Y C 0.994 176.914 175.900 0.034 0.000 1.055 54 Y CA -0.587 57.524 58.100 0.018 0.000 1.151 54 Y CB -0.296 38.175 38.460 0.019 0.000 1.190 54 Y HN -0.172 nan 8.280 nan 0.000 0.574 55 T N -3.640 110.948 114.554 0.057 0.000 3.023 55 T HA 0.245 4.594 4.350 -0.003 0.000 0.266 55 T C 1.857 176.675 174.700 0.197 0.000 1.093 55 T CA 0.928 63.082 62.100 0.090 0.000 1.129 55 T CB -0.350 68.500 68.868 -0.029 0.000 0.899 55 T HN 1.042 nan 8.240 nan 0.000 0.491 56 G N 1.408 110.292 108.800 0.140 0.000 2.175 56 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.244 56 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.244 56 G C 0.028 174.911 174.900 -0.028 0.000 0.982 56 G CA -0.023 45.181 45.100 0.173 0.000 0.641 56 G HN 0.659 nan 8.290 nan 0.000 0.527 57 I N 1.280 121.711 120.570 -0.231 0.000 2.342 57 I HA 0.317 4.485 4.170 -0.003 0.000 0.291 57 I C 1.284 177.291 176.117 -0.183 0.000 1.010 57 I CA -0.320 60.761 61.300 -0.366 0.000 1.308 57 I CB 1.370 39.082 38.000 -0.480 0.000 1.400 57 I HN 0.080 nan 8.210 nan 0.000 0.488 58 D N 4.230 124.535 120.400 -0.157 0.000 2.149 58 D HA -0.039 4.599 4.640 -0.003 0.000 0.206 58 D C 0.220 176.450 176.300 -0.118 0.000 0.967 58 D CA 1.526 55.460 54.000 -0.109 0.000 0.848 58 D CB 0.594 41.339 40.800 -0.092 0.000 0.998 58 D HN 0.392 nan 8.370 nan 0.000 0.474 59 Q N 0.258 119.964 119.800 -0.156 0.000 2.289 59 Q HA 0.385 4.723 4.340 -0.003 0.000 0.270 59 Q C -0.890 175.020 176.000 -0.150 0.000 1.038 59 Q CA -0.454 55.264 55.803 -0.141 0.000 0.812 59 Q CB 2.463 31.101 28.738 -0.167 0.000 1.300 59 Q HN 0.129 nan 8.270 nan 0.000 0.427 60 R N 0.768 121.218 120.500 -0.084 0.000 2.338 60 R HA 0.478 4.816 4.340 -0.003 0.000 0.317 60 R C -0.247 176.067 176.300 0.023 0.000 0.968 60 R CA -0.487 55.592 56.100 -0.036 0.000 0.849 60 R CB 1.541 31.831 30.300 -0.018 0.000 1.128 60 R HN 0.446 nan 8.270 nan 0.000 0.448 61 S N 1.222 116.972 115.700 0.083 0.000 2.533 61 S HA 0.131 4.600 4.470 -0.003 0.000 0.282 61 S C -0.117 174.566 174.600 0.138 0.000 1.304 61 S CA 0.180 58.476 58.200 0.160 0.000 1.063 61 S CB 0.947 64.335 63.200 0.315 0.000 0.881 61 S HN 0.518 nan 8.310 nan 0.000 0.493 62 S N 1.267 117.033 115.700 0.110 0.000 2.546 62 S HA 0.393 4.862 4.470 -0.003 0.000 0.274 62 S C 0.807 175.329 174.600 -0.130 0.000 1.121 62 S CA -0.878 57.321 58.200 -0.001 0.000 0.887 62 S CB 0.659 63.848 63.200 -0.019 0.000 1.094 62 S HN 0.644 nan 8.310 nan 0.000 0.474 63 I N 1.648 122.067 120.570 -0.253 0.000 3.176 63 I HA 0.451 4.620 4.170 -0.003 0.000 0.275 63 I C 0.834 176.349 176.117 -1.004 0.000 1.298 63 I CA 0.500 61.546 61.300 -0.424 0.000 1.445 63 I CB -0.485 37.349 38.000 -0.277 0.000 1.075 63 I HN 0.494 nan 8.210 nan 0.000 0.482 64 G N 0.824 109.061 108.800 -0.938 0.000 2.660 64 G HA2 0.462 4.420 3.960 -0.003 0.000 0.290 64 G HA3 0.462 4.420 3.960 -0.003 0.000 0.290 64 G C -1.463 173.334 174.900 -0.172 0.000 1.432 64 G CA -0.717 43.897 45.100 -0.811 0.000 0.807 64 G HN 0.400 nan 8.290 nan 0.000 0.485 65 N N -0.248 118.583 118.700 0.219 0.000 2.413 65 N HA 0.502 5.240 4.740 -0.003 0.000 0.266 65 N C -1.880 173.720 175.510 0.149 0.000 1.238 65 N CA -1.480 51.706 53.050 0.227 0.000 0.972 65 N CB 0.904 39.547 38.487 0.259 0.000 1.210 65 N HN 0.109 nan 8.380 nan 0.000 0.547 66 P HA -0.111 nan 4.420 nan 0.000 0.218 66 P C -0.269 177.108 177.300 0.129 0.000 1.146 66 P CA 1.318 64.483 63.100 0.109 0.000 0.813 66 P CB 0.077 31.831 31.700 0.090 0.000 0.778 67 D N -3.323 117.154 120.400 0.129 0.000 2.328 67 D HA -0.033 4.605 4.640 -0.003 0.000 0.221 67 D C 0.573 176.945 176.300 0.119 0.000 1.072 67 D CA 0.077 54.145 54.000 0.114 0.000 0.850 67 D CB -0.771 40.077 40.800 0.079 0.000 0.922 67 D HN 0.238 nan 8.370 nan 0.000 0.516 68 H N 1.691 120.793 119.070 0.053 0.000 3.094 68 H HA -0.030 4.523 4.556 -0.004 0.000 0.320 68 H C -1.391 173.952 175.328 0.026 0.000 1.000 68 H CA -0.682 55.384 56.048 0.029 0.000 1.413 68 H CB 1.410 31.165 29.762 -0.012 0.000 1.405 68 H HN -0.010 nan 8.280 nan 0.000 0.586 69 P HA -0.166 nan 4.420 nan 0.000 0.222 69 P C 1.770 179.156 177.300 0.143 0.000 1.147 69 P CA 0.461 63.593 63.100 0.054 0.000 0.790 69 P CB 0.314 31.991 31.700 -0.037 0.000 0.780 70 L N 0.957 122.381 121.223 0.334 0.000 2.083 70 L HA -0.089 4.249 4.340 -0.003 0.000 0.209 70 L C 2.067 178.965 176.870 0.047 0.000 1.083 70 L CA 1.689 56.626 54.840 0.163 0.000 0.752 70 L CB -0.928 41.195 42.059 0.106 0.000 0.899 70 L HN -0.095 nan 8.230 nan 0.000 0.433 71 V N -3.651 116.295 119.914 0.052 0.000 3.596 71 V HA 0.247 4.365 4.120 -0.003 0.000 0.289 71 V C 0.492 176.532 176.094 -0.090 0.000 1.336 71 V CA 0.517 62.796 62.300 -0.035 0.000 1.137 71 V CB -0.947 30.869 31.823 -0.013 0.000 0.966 71 V HN 0.493 nan 8.190 nan 0.000 0.428 72 N N 0.690 119.380 118.700 -0.017 0.000 2.433 72 N HA 0.253 4.992 4.740 -0.003 0.000 0.270 72 N C -0.175 175.360 175.510 0.042 0.000 1.354 72 N CA -0.325 52.761 53.050 0.061 0.000 0.889 72 N CB 0.646 39.245 38.487 0.188 0.000 1.285 72 N HN 0.437 nan 8.380 nan 0.000 0.503 73 K N 0.110 120.464 120.400 -0.078 0.000 2.090 73 K HA 0.298 4.616 4.320 -0.003 0.000 0.250 73 K C -1.694 174.874 176.600 -0.052 0.000 1.004 73 K CA -1.642 54.624 56.287 -0.035 0.000 0.919 73 K CB 0.576 33.051 32.500 -0.041 0.000 1.045 73 K HN -0.188 nan 8.250 nan 0.000 0.471 74 P HA -0.135 nan 4.420 nan 0.000 0.218 74 P C -0.310 176.969 177.300 -0.034 0.000 1.146 74 P CA 1.445 64.564 63.100 0.033 0.000 0.813 74 P CB 0.252 31.969 31.700 0.030 0.000 0.778 75 N N -2.023 116.634 118.700 -0.072 0.000 2.312 75 N HA 0.332 5.070 4.740 -0.003 0.000 0.296 75 N C -2.815 172.622 175.510 -0.121 0.000 1.193 75 N CA -2.055 50.946 53.050 -0.082 0.000 0.773 75 N CB 0.756 39.219 38.487 -0.039 0.000 1.435 75 N HN -0.228 nan 8.380 nan 0.000 0.484 76 P HA 0.096 nan 4.420 nan 0.000 0.267 76 P C -2.333 174.926 177.300 -0.068 0.000 1.201 76 P CA -0.423 62.620 63.100 -0.095 0.000 0.775 76 P CB -0.265 31.404 31.700 -0.052 0.000 0.854 77 P HA 0.031 nan 4.420 nan 0.000 0.272 77 P C -0.151 177.127 177.300 -0.037 0.000 1.223 77 P CA 0.020 63.098 63.100 -0.037 0.000 0.784 77 P CB 0.190 31.877 31.700 -0.022 0.000 0.923 78 T N -1.900 112.634 114.554 -0.034 0.000 2.828 78 T HA 0.057 4.405 4.350 -0.003 0.000 0.290 78 T C 1.274 175.944 174.700 -0.051 0.000 1.019 78 T CA -0.544 61.526 62.100 -0.050 0.000 1.031 78 T CB 0.557 69.397 68.868 -0.046 0.000 1.001 78 T HN 0.154 nan 8.240 nan 0.000 0.531 79 V N 1.303 121.157 119.914 -0.100 0.000 2.469 79 V HA -0.134 3.984 4.120 -0.003 0.000 0.251 79 V C 2.668 178.746 176.094 -0.025 0.000 1.064 79 V CA 2.534 64.761 62.300 -0.122 0.000 1.066 79 V CB -0.985 30.656 31.823 -0.302 0.000 0.667 79 V HN 1.041 nan 8.190 nan 0.000 0.461 80 K N -0.169 120.219 120.400 -0.020 0.000 2.026 80 K HA -0.223 4.095 4.320 -0.003 0.000 0.208 80 K C 2.006 178.653 176.600 0.079 0.000 1.048 80 K CA 2.134 58.442 56.287 0.034 0.000 0.929 80 K CB -0.277 32.228 32.500 0.009 0.000 0.713 80 K HN 0.662 nan 8.250 nan 0.000 0.439 81 E N 0.849 121.073 120.200 0.041 0.000 2.110 81 E HA -0.173 4.175 4.350 -0.003 0.000 0.193 81 E C 2.147 178.781 176.600 0.056 0.000 0.988 81 E CA 1.153 57.577 56.400 0.041 0.000 0.804 81 E CB -0.108 29.603 29.700 0.019 0.000 0.745 81 E HN 0.308 nan 8.360 nan 0.000 0.458 82 L N 0.741 122.003 121.223 0.064 0.000 2.042 82 L HA -0.231 4.107 4.340 -0.003 0.000 0.210 82 L C 2.827 179.787 176.870 0.151 0.000 1.076 82 L CA 1.390 56.288 54.840 0.096 0.000 0.749 82 L CB -0.684 41.442 42.059 0.112 0.000 0.893 82 L HN 0.357 nan 8.230 nan 0.000 0.432 83 H N 0.658 119.772 119.070 0.073 0.000 2.389 83 H HA -0.150 4.404 4.556 -0.003 0.000 0.299 83 H C 1.900 177.291 175.328 0.105 0.000 1.081 83 H CA 1.633 57.731 56.048 0.083 0.000 1.345 83 H CB 0.292 30.073 29.762 0.031 0.000 1.393 83 H HN 0.450 nan 8.280 nan 0.000 0.520 84 E N 0.030 120.194 120.200 -0.059 0.000 2.110 84 E HA -0.105 4.243 4.350 -0.003 0.000 0.193 84 E C 2.369 178.912 176.600 -0.095 0.000 0.988 84 E CA 1.231 57.564 56.400 -0.111 0.000 0.804 84 E CB 0.249 29.947 29.700 -0.003 0.000 0.745 84 E HN 0.259 nan 8.360 nan 0.000 0.458 85 V N 0.402 120.300 119.914 -0.025 0.000 2.788 85 V HA -0.127 3.991 4.120 -0.003 0.000 0.251 85 V C 1.704 177.781 176.094 -0.029 0.000 1.068 85 V CA 0.859 63.147 62.300 -0.019 0.000 1.090 85 V CB -0.313 31.505 31.823 -0.010 0.000 0.710 85 V HN 0.223 nan 8.190 nan 0.000 0.467 86 F N 0.287 120.145 119.950 -0.152 0.000 2.134 86 F HA -0.216 4.309 4.527 -0.003 0.000 0.299 86 F C 2.373 178.055 175.800 -0.197 0.000 1.097 86 F CA 1.773 59.678 58.000 -0.158 0.000 1.264 86 F CB -0.023 38.913 39.000 -0.108 0.000 1.001 86 F HN 0.051 nan 8.300 nan 0.000 0.479 87 M N 0.188 119.750 119.600 -0.064 0.000 2.099 87 M HA -0.150 4.328 4.480 -0.003 0.000 0.262 87 M C 2.635 178.849 176.300 -0.145 0.000 1.067 87 M CA 1.929 57.135 55.300 -0.157 0.000 1.124 87 M CB -1.889 30.517 32.600 -0.323 0.000 1.353 87 M HN 0.345 nan 8.290 nan 0.000 0.410 88 S N -0.589 115.039 115.700 -0.120 0.000 2.387 88 S HA -0.097 4.371 4.470 -0.003 0.000 0.226 88 S C 1.270 175.828 174.600 -0.071 0.000 1.026 88 S CA 1.520 59.674 58.200 -0.075 0.000 0.972 88 S CB -0.202 62.973 63.200 -0.042 0.000 0.814 88 S HN 0.389 nan 8.310 nan 0.000 0.477 89 D N 0.516 120.853 120.400 -0.104 0.000 2.455 89 D HA 0.296 4.935 4.640 -0.003 0.000 0.228 89 D C 1.974 178.158 176.300 -0.193 0.000 1.070 89 D CA 0.726 54.661 54.000 -0.109 0.000 0.881 89 D CB -0.254 40.490 40.800 -0.093 0.000 1.087 89 D HN 0.452 nan 8.370 nan 0.000 0.498 90 G N 0.459 109.058 108.800 -0.335 0.000 2.417 90 G HA2 -0.109 3.849 3.960 -0.003 0.000 0.212 90 G HA3 -0.109 3.849 3.960 -0.003 0.000 0.212 90 G C 1.679 176.313 174.900 -0.443 0.000 1.187 90 G CA 0.311 45.082 45.100 -0.549 0.000 0.804 90 G HN 0.143 nan 8.290 nan 0.000 0.534 91 V N 2.290 121.989 119.914 -0.358 0.000 2.324 91 V HA -0.130 3.988 4.120 -0.003 0.000 0.250 91 V C 0.230 176.284 176.094 -0.067 0.000 1.060 91 V CA 2.339 64.552 62.300 -0.145 0.000 1.042 91 V CB -1.023 30.796 31.823 -0.007 0.000 0.650 91 V HN 0.287 nan 8.190 nan 0.000 0.450 92 P HA -0.137 nan 4.420 nan 0.000 0.218 92 P C 1.856 179.133 177.300 -0.038 0.000 1.148 92 P CA 1.354 64.435 63.100 -0.032 0.000 0.822 92 P CB -0.065 31.619 31.700 -0.026 0.000 0.784 93 L N -0.938 120.239 121.223 -0.077 0.000 2.017 93 L HA -0.180 4.158 4.340 -0.003 0.000 0.208 93 L C 2.521 179.353 176.870 -0.063 0.000 1.073 93 L CA 1.787 56.581 54.840 -0.076 0.000 0.745 93 L CB -1.386 40.600 42.059 -0.121 0.000 0.894 93 L HN -0.039 nan 8.230 nan 0.000 0.432 94 A N -0.318 122.461 122.820 -0.068 0.000 1.933 94 A HA -0.142 4.176 4.320 -0.003 0.000 0.218 94 A C 2.350 179.953 177.584 0.031 0.000 1.175 94 A CA 1.729 53.767 52.037 0.002 0.000 0.628 94 A CB -0.800 18.244 19.000 0.074 0.000 0.814 94 A HN 0.205 nan 8.150 nan 0.000 0.444 95 V N -0.095 119.835 119.914 0.026 0.000 2.295 95 V HA -0.234 3.884 4.120 -0.003 0.000 0.246 95 V C 2.620 178.720 176.094 0.011 0.000 1.049 95 V CA 2.460 64.775 62.300 0.027 0.000 1.024 95 V CB -0.620 31.220 31.823 0.028 0.000 0.648 95 V HN 0.730 nan 8.190 nan 0.000 0.447 96 E N 0.537 120.738 120.200 0.002 0.000 2.107 96 E HA -0.103 4.245 4.350 -0.003 0.000 0.191 96 E C 2.115 178.713 176.600 -0.004 0.000 0.982 96 E CA 1.428 57.828 56.400 0.000 0.000 0.809 96 E CB -0.462 29.239 29.700 0.002 0.000 0.756 96 E HN 0.483 nan 8.360 nan 0.000 0.459 97 A N 0.152 122.965 122.820 -0.012 0.000 1.883 97 A HA -0.222 4.096 4.320 -0.003 0.000 0.217 97 A C 2.419 179.998 177.584 -0.008 0.000 1.186 97 A CA 2.222 54.250 52.037 -0.015 0.000 0.624 97 A CB -0.943 18.043 19.000 -0.022 0.000 0.822 97 A HN 0.331 nan 8.150 nan 0.000 0.444 98 S N -0.343 115.358 115.700 0.001 0.000 2.383 98 S HA -0.178 4.290 4.470 -0.003 0.000 0.229 98 S C 2.021 176.615 174.600 -0.011 0.000 1.030 98 S CA 1.331 59.529 58.200 -0.004 0.000 1.002 98 S CB -0.365 62.840 63.200 0.008 0.000 0.829 98 S HN 0.575 nan 8.310 nan 0.000 0.467 99 R N 1.225 121.721 120.500 -0.006 0.000 2.081 99 R HA -0.006 4.332 4.340 -0.003 0.000 0.235 99 R C 2.278 178.572 176.300 -0.010 0.000 1.131 99 R CA 1.106 57.202 56.100 -0.007 0.000 0.960 99 R CB -0.200 30.099 30.300 -0.002 0.000 0.856 99 R HN 0.415 nan 8.270 nan 0.000 0.436 100 K N 0.083 120.477 120.400 -0.009 0.000 2.103 100 K HA -0.018 4.300 4.320 -0.003 0.000 0.204 100 K C 2.152 178.741 176.600 -0.017 0.000 1.052 100 K CA 1.099 57.381 56.287 -0.009 0.000 0.945 100 K CB -0.063 32.435 32.500 -0.004 0.000 0.722 100 K HN 0.104 nan 8.250 nan 0.000 0.443 101 A N 1.616 124.420 122.820 -0.027 0.000 1.877 101 A HA -0.169 4.149 4.320 -0.003 0.000 0.216 101 A C 2.185 179.746 177.584 -0.039 0.000 1.186 101 A CA 1.546 53.558 52.037 -0.043 0.000 0.620 101 A CB -0.469 18.491 19.000 -0.067 0.000 0.822 101 A HN 0.165 nan 8.150 nan 0.000 0.443 102 M N -0.546 119.035 119.600 -0.032 0.000 2.117 102 M HA -0.116 4.362 4.480 -0.003 0.000 0.262 102 M C 2.543 178.830 176.300 -0.022 0.000 1.065 102 M CA 1.353 56.636 55.300 -0.027 0.000 1.114 102 M CB -0.439 32.147 32.600 -0.023 0.000 1.361 102 M HN 0.475 nan 8.290 nan 0.000 0.408 103 A N 0.180 122.990 122.820 -0.018 0.000 1.883 103 A HA -0.249 4.069 4.320 -0.003 0.000 0.217 103 A C 2.005 179.579 177.584 -0.016 0.000 1.186 103 A CA 2.164 54.193 52.037 -0.014 0.000 0.624 103 A CB -0.878 18.116 19.000 -0.010 0.000 0.822 103 A HN 0.569 nan 8.150 nan 0.000 0.444 104 E N -0.367 119.822 120.200 -0.019 0.000 2.077 104 E HA -0.118 4.230 4.350 -0.003 0.000 0.193 104 E C 2.068 178.653 176.600 -0.026 0.000 0.989 104 E CA 0.967 57.353 56.400 -0.022 0.000 0.800 104 E CB -0.250 29.436 29.700 -0.024 0.000 0.746 104 E HN 0.549 nan 8.360 nan 0.000 0.452 105 A N 0.639 123.441 122.820 -0.029 0.000 2.070 105 A HA -0.093 4.225 4.320 -0.003 0.000 0.220 105 A C 0.938 178.508 177.584 -0.023 0.000 1.159 105 A CA 1.111 53.131 52.037 -0.029 0.000 0.656 105 A CB -0.328 18.652 19.000 -0.033 0.000 0.800 105 A HN 0.378 nan 8.150 nan 0.000 0.453 106 R N -2.278 118.210 120.500 -0.020 0.000 3.418 106 R HA -0.129 4.209 4.340 -0.003 0.000 0.274 106 R C -1.158 175.133 176.300 -0.014 0.000 1.108 106 R CA 0.620 56.711 56.100 -0.016 0.000 0.741 106 R CB -2.293 27.998 30.300 -0.015 0.000 1.223 106 R HN 0.517 nan 8.270 nan 0.000 0.434 107 L N 0.150 121.363 121.223 -0.016 0.000 2.334 107 L HA 0.667 5.005 4.340 -0.003 0.000 0.273 107 L C 0.812 177.674 176.870 -0.014 0.000 1.013 107 L CA -1.314 53.517 54.840 -0.015 0.000 0.816 107 L CB 1.751 43.800 42.059 -0.017 0.000 1.278 107 L HN -0.074 nan 8.230 nan 0.000 0.431 108 V N -0.515 119.392 119.914 -0.012 0.000 2.716 108 V HA 0.388 4.506 4.120 -0.003 0.000 0.304 108 V C -1.926 174.158 176.094 -0.015 0.000 1.053 108 V CA -1.496 60.796 62.300 -0.012 0.000 0.984 108 V CB 0.941 32.758 31.823 -0.010 0.000 1.021 108 V HN 0.549 nan 8.190 nan 0.000 0.467 109 P HA -0.268 nan 4.420 nan 0.000 0.219 109 P C 1.577 178.863 177.300 -0.023 0.000 1.158 109 P CA 2.904 65.991 63.100 -0.022 0.000 0.895 109 P CB -0.053 31.634 31.700 -0.022 0.000 0.792 110 A N -0.897 121.911 122.820 -0.019 0.000 2.125 110 A HA -0.221 4.097 4.320 -0.003 0.000 0.219 110 A C 2.051 179.626 177.584 -0.015 0.000 1.156 110 A CA 1.360 53.386 52.037 -0.019 0.000 0.671 110 A CB -1.029 17.962 19.000 -0.015 0.000 0.794 110 A HN 0.309 nan 8.150 nan 0.000 0.459 111 Q N -0.610 119.182 119.800 -0.013 0.000 2.424 111 Q HA 0.137 4.475 4.340 -0.003 0.000 0.204 111 Q C -0.248 175.748 176.000 -0.007 0.000 0.933 111 Q CA -0.034 55.765 55.803 -0.006 0.000 0.929 111 Q CB 0.214 28.949 28.738 -0.005 0.000 1.037 111 Q HN 0.477 nan 8.270 nan 0.000 0.511 112 I N 1.737 122.297 120.570 -0.017 0.000 2.396 112 I HA -0.024 4.145 4.170 -0.003 0.000 0.289 112 I C 1.523 177.620 176.117 -0.033 0.000 1.056 112 I CA 0.520 61.807 61.300 -0.020 0.000 1.365 112 I CB 1.049 39.032 38.000 -0.027 0.000 1.407 112 I HN 0.151 nan 8.210 nan 0.000 0.509 113 T N 2.726 117.266 114.554 -0.023 0.000 3.042 113 T HA 0.129 4.477 4.350 -0.003 0.000 0.245 113 T C 0.523 175.039 174.700 -0.306 0.000 1.029 113 T CA 0.422 62.450 62.100 -0.121 0.000 1.120 113 T CB 0.117 68.937 68.868 -0.081 0.000 0.917 113 T HN 0.575 nan 8.240 nan 0.000 0.467 114 H N -0.371 118.616 119.070 -0.137 0.000 2.894 114 H HA 0.754 5.308 4.556 -0.003 0.000 0.368 114 H C -1.169 174.100 175.328 -0.098 0.000 1.181 114 H CA -1.092 54.882 56.048 -0.124 0.000 1.146 114 H CB 1.660 31.328 29.762 -0.156 0.000 1.839 114 H HN 0.157 nan 8.280 nan 0.000 0.557 115 M N 1.743 121.375 119.600 0.053 0.000 2.263 115 M HA 0.498 4.976 4.480 -0.003 0.000 0.295 115 M C -1.768 174.527 176.300 -0.009 0.000 1.028 115 M CA -0.891 54.408 55.300 -0.002 0.000 0.921 115 M CB 1.384 33.963 32.600 -0.036 0.000 1.601 115 M HN 0.357 nan 8.290 nan 0.000 0.440 116 V N 3.622 123.525 119.914 -0.019 0.000 2.378 116 V HA 0.592 4.710 4.120 -0.003 0.000 0.288 116 V C -0.492 175.604 176.094 0.003 0.000 1.016 116 V CA -0.411 61.877 62.300 -0.020 0.000 0.840 116 V CB 1.613 33.414 31.823 -0.036 0.000 0.994 116 V HN 0.942 nan 8.190 nan 0.000 0.431 117 S N 2.684 118.376 115.700 -0.013 0.000 2.638 117 S HA 0.845 5.313 4.470 -0.003 0.000 0.302 117 S C -0.311 174.327 174.600 0.063 0.000 1.096 117 S CA -0.672 57.540 58.200 0.021 0.000 0.953 117 S CB 2.306 65.422 63.200 -0.139 0.000 1.107 117 S HN 0.789 nan 8.310 nan 0.000 0.503 118 T N 0.363 115.017 114.554 0.168 0.000 2.894 118 T HA 0.740 5.088 4.350 -0.003 0.000 0.309 118 T C -1.509 173.336 174.700 0.241 0.000 1.208 118 T CA -0.265 61.920 62.100 0.143 0.000 1.016 118 T CB 1.922 70.801 68.868 0.020 0.000 1.192 118 T HN 0.704 nan 8.240 nan 0.000 0.491 119 T N 0.397 115.033 114.554 0.135 0.000 2.893 119 T HA 0.407 4.756 4.350 -0.003 0.000 0.337 119 T C 0.197 174.796 174.700 -0.168 0.000 1.587 119 T CA -0.052 62.060 62.100 0.020 0.000 1.066 119 T CB 0.292 69.218 68.868 0.097 0.000 1.414 119 T HN 1.041 nan 8.240 nan 0.000 0.488 120 C N 1.100 120.208 119.300 -0.320 0.000 3.385 120 C HA 0.472 4.931 4.460 -0.003 0.000 0.288 120 C C 1.556 176.028 174.990 -0.863 0.000 1.429 120 C CA 0.571 59.241 59.018 -0.580 0.000 1.778 120 C CB -1.584 25.858 27.740 -0.496 0.000 2.503 120 C HN 0.943 nan 8.230 nan 0.000 0.646 121 T N -3.624 110.551 114.554 -0.632 0.000 3.182 121 T HA 0.334 4.682 4.350 -0.003 0.000 0.277 121 T C -0.652 173.664 174.700 -0.640 0.000 1.013 121 T CA 0.215 61.967 62.100 -0.579 0.000 0.900 121 T CB 0.102 68.889 68.868 -0.135 0.000 1.098 121 T HN 0.451 nan 8.240 nan 0.000 0.543 122 D N 0.403 120.290 120.400 -0.855 0.000 2.661 122 D HA 0.595 5.233 4.640 -0.003 0.000 0.228 122 D C -1.611 174.584 176.300 -0.174 0.000 1.183 122 D CA -0.330 53.273 54.000 -0.662 0.000 0.844 122 D CB 2.483 42.359 40.800 -1.539 0.000 1.555 122 D HN 0.060 nan 8.370 nan 0.000 0.453 123 S N 0.989 116.767 115.700 0.129 0.000 2.594 123 S HA 0.887 5.355 4.470 -0.003 0.000 0.296 123 S C -1.569 172.984 174.600 -0.078 0.000 1.124 123 S CA -0.196 58.050 58.200 0.076 0.000 1.011 123 S CB 0.788 64.117 63.200 0.215 0.000 1.016 123 S HN 0.698 nan 8.310 nan 0.000 0.485 124 A N 4.090 126.864 122.820 -0.075 0.000 2.594 124 A HA 0.815 5.133 4.320 -0.003 0.000 0.295 124 A C -1.669 175.897 177.584 -0.030 0.000 1.071 124 A CA -1.014 50.958 52.037 -0.108 0.000 0.685 124 A CB 1.446 20.460 19.000 0.024 0.000 1.285 124 A HN 0.785 nan 8.150 nan 0.000 0.405 125 N N 1.465 120.150 118.700 -0.026 0.000 2.533 125 N HA 0.589 5.327 4.740 -0.003 0.000 0.289 125 N C -2.947 172.569 175.510 0.010 0.000 1.103 125 N CA -0.766 52.277 53.050 -0.012 0.000 0.877 125 N CB 1.413 39.876 38.487 -0.040 0.000 1.419 125 N HN 0.536 nan 8.380 nan 0.000 0.517 126 P HA 0.176 nan 4.420 nan 0.000 0.267 126 P C 0.593 177.983 177.300 0.151 0.000 1.200 126 P CA -0.307 62.783 63.100 -0.016 0.000 0.772 126 P CB 0.402 31.935 31.700 -0.278 0.000 0.855 127 G N 0.437 109.302 108.800 0.108 0.000 2.667 127 G HA2 0.104 4.062 3.960 -0.003 0.000 0.250 127 G HA3 0.104 4.062 3.960 -0.003 0.000 0.250 127 G C 0.507 175.593 174.900 0.310 0.000 1.212 127 G CA -0.373 44.821 45.100 0.156 0.000 0.874 127 G HN 0.688 nan 8.290 nan 0.000 0.561 128 Y N -0.599 119.890 120.300 0.315 0.000 2.403 128 Y HA -0.153 4.395 4.550 -0.002 0.000 0.291 128 Y C 2.084 178.194 175.900 0.350 0.000 1.143 128 Y CA 1.595 59.948 58.100 0.422 0.000 1.257 128 Y CB -0.238 38.515 38.460 0.489 0.000 0.984 128 Y HN 0.442 nan 8.280 nan 0.000 0.550 129 D N -0.343 119.805 120.400 -0.421 0.000 2.178 129 D HA -0.295 4.343 4.640 -0.003 0.000 0.201 129 D C 2.016 178.272 176.300 -0.073 0.000 0.980 129 D CA 1.812 55.601 54.000 -0.352 0.000 0.842 129 D CB -1.169 39.387 40.800 -0.406 0.000 0.948 129 D HN 0.655 nan 8.370 nan 0.000 0.472 130 H N 0.142 119.156 119.070 -0.094 0.000 2.319 130 H HA -0.209 4.345 4.556 -0.003 0.000 0.299 130 H C 1.453 176.675 175.328 -0.176 0.000 1.092 130 H CA 1.622 57.559 56.048 -0.185 0.000 1.302 130 H CB -0.331 29.223 29.762 -0.348 0.000 1.373 130 H HN 0.227 nan 8.280 nan 0.000 0.497 131 Y N -0.158 120.231 120.300 0.147 0.000 2.263 131 Y HA -0.108 4.440 4.550 -0.003 0.000 0.292 131 Y C 3.035 178.958 175.900 0.039 0.000 1.130 131 Y CA 0.900 59.076 58.100 0.127 0.000 1.179 131 Y CB -0.302 38.288 38.460 0.217 0.000 0.998 131 Y HN -0.015 nan 8.280 nan 0.000 0.532 132 V N -0.150 119.887 119.914 0.206 0.000 2.295 132 V HA -0.325 3.793 4.120 -0.003 0.000 0.246 132 V C 2.526 178.631 176.094 0.020 0.000 1.049 132 V CA 1.773 64.147 62.300 0.123 0.000 1.024 132 V CB -1.311 30.605 31.823 0.155 0.000 0.648 132 V HN 0.454 nan 8.190 nan 0.000 0.447 133 A N -0.316 122.473 122.820 -0.052 0.000 1.883 133 A HA -0.300 4.018 4.320 -0.003 0.000 0.217 133 A C 2.342 179.850 177.584 -0.127 0.000 1.186 133 A CA 2.365 54.340 52.037 -0.103 0.000 0.624 133 A CB -0.542 18.368 19.000 -0.151 0.000 0.822 133 A HN 0.522 nan 8.150 nan 0.000 0.444 134 K N -0.416 119.863 120.400 -0.203 0.000 2.032 134 K HA -0.190 4.128 4.320 -0.003 0.000 0.209 134 K C 2.017 178.581 176.600 -0.060 0.000 1.048 134 K CA 1.659 57.840 56.287 -0.177 0.000 0.927 134 K CB -0.199 32.150 32.500 -0.252 0.000 0.712 134 K HN 0.601 nan 8.250 nan 0.000 0.441 135 E N 0.405 120.600 120.200 -0.009 0.000 2.118 135 E HA -0.195 4.153 4.350 -0.003 0.000 0.195 135 E C 1.972 178.573 176.600 0.001 0.000 0.992 135 E CA 1.128 57.539 56.400 0.018 0.000 0.804 135 E CB -0.043 29.685 29.700 0.046 0.000 0.741 135 E HN 0.351 nan 8.360 nan 0.000 0.458 136 L N -0.556 120.661 121.223 -0.011 0.000 2.376 136 L HA -0.013 4.325 4.340 -0.003 0.000 0.219 136 L C 1.474 178.330 176.870 -0.023 0.000 1.133 136 L CA 0.595 55.427 54.840 -0.015 0.000 0.816 136 L CB -0.165 41.884 42.059 -0.018 0.000 0.933 136 L HN 0.299 nan 8.230 nan 0.000 0.449 137 G N 0.315 109.095 108.800 -0.034 0.000 2.147 137 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.244 137 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.244 137 G C 0.283 175.158 174.900 -0.043 0.000 1.005 137 G CA -0.133 44.946 45.100 -0.035 0.000 0.713 137 G HN 0.210 nan 8.290 nan 0.000 0.515 138 L N 0.411 121.601 121.223 -0.055 0.000 2.476 138 L HA 0.407 4.746 4.340 -0.003 0.000 0.264 138 L C 1.628 178.460 176.870 -0.063 0.000 1.224 138 L CA 0.278 55.084 54.840 -0.057 0.000 0.821 138 L CB 0.560 42.581 42.059 -0.064 0.000 1.101 138 L HN 0.330 nan 8.230 nan 0.000 0.488 139 S N 0.165 115.831 115.700 -0.057 0.000 2.568 139 S HA -0.056 4.412 4.470 -0.003 0.000 0.282 139 S C 0.915 175.479 174.600 -0.060 0.000 1.338 139 S CA -0.342 57.826 58.200 -0.052 0.000 1.045 139 S CB 0.588 63.759 63.200 -0.048 0.000 0.873 139 S HN 0.734 nan 8.310 nan 0.000 0.516 140 D N 3.442 123.813 120.400 -0.049 0.000 2.350 140 D HA -0.092 4.546 4.640 -0.003 0.000 0.216 140 D C 1.236 177.511 176.300 -0.042 0.000 0.968 140 D CA 0.879 54.852 54.000 -0.045 0.000 0.894 140 D CB -0.068 40.713 40.800 -0.031 0.000 0.909 140 D HN 0.541 nan 8.370 nan 0.000 0.520 141 R N -0.425 120.047 120.500 -0.046 0.000 2.362 141 R HA 0.193 4.531 4.340 -0.003 0.000 0.227 141 R C 0.407 176.665 176.300 -0.070 0.000 0.905 141 R CA -0.665 55.406 56.100 -0.049 0.000 1.067 141 R CB 0.050 30.325 30.300 -0.042 0.000 1.078 141 R HN 0.196 nan 8.270 nan 0.000 0.516 142 L N 2.655 123.832 121.223 -0.078 0.000 2.559 142 L HA -0.073 4.265 4.340 -0.003 0.000 0.282 142 L C -0.010 176.796 176.870 -0.106 0.000 1.232 142 L CA 0.882 55.661 54.840 -0.101 0.000 0.885 142 L CB 0.317 42.324 42.059 -0.087 0.000 1.131 142 L HN 0.043 nan 8.230 nan 0.000 0.498 143 E N 5.706 125.810 120.200 -0.161 0.000 2.167 143 E HA 0.294 4.642 4.350 -0.003 0.000 0.284 143 E C -0.801 175.771 176.600 -0.047 0.000 1.016 143 E CA -0.523 55.806 56.400 -0.117 0.000 0.817 143 E CB 0.980 30.566 29.700 -0.190 0.000 1.080 143 E HN 0.490 nan 8.360 nan 0.000 0.397 144 K N 1.730 122.114 120.400 -0.027 0.000 2.259 144 K HA 0.554 4.872 4.320 -0.003 0.000 0.252 144 K C -1.048 175.544 176.600 -0.013 0.000 0.936 144 K CA -0.862 55.411 56.287 -0.023 0.000 0.810 144 K CB 2.427 34.901 32.500 -0.043 0.000 1.143 144 K HN 0.164 nan 8.250 nan 0.000 0.427 145 V N 3.646 123.549 119.914 -0.018 0.000 2.482 145 V HA 0.257 4.375 4.120 -0.003 0.000 0.295 145 V C -1.293 174.781 176.094 -0.033 0.000 1.026 145 V CA -0.863 61.427 62.300 -0.018 0.000 0.856 145 V CB 1.604 33.420 31.823 -0.011 0.000 1.001 145 V HN 0.532 nan 8.190 nan 0.000 0.424 146 L N 7.153 128.357 121.223 -0.032 0.000 2.294 146 L HA 0.623 4.961 4.340 -0.003 0.000 0.283 146 L C -0.581 176.299 176.870 0.015 0.000 1.015 146 L CA 0.178 55.000 54.840 -0.031 0.000 0.831 146 L CB 1.053 43.077 42.059 -0.057 0.000 1.217 146 L HN 0.517 nan 8.230 nan 0.000 0.420 147 L N 5.167 126.409 121.223 0.031 0.000 2.375 147 L HA 0.474 4.812 4.340 -0.003 0.000 0.271 147 L C -0.019 176.911 176.870 0.100 0.000 1.107 147 L CA -0.372 54.494 54.840 0.043 0.000 0.806 147 L CB 0.885 42.947 42.059 0.005 0.000 1.146 147 L HN 0.621 nan 8.230 nan 0.000 0.447 148 H N 0.679 119.727 119.070 -0.037 0.000 2.946 148 H HA 0.333 4.887 4.556 -0.003 0.000 0.365 148 H C 0.568 175.863 175.328 -0.055 0.000 1.197 148 H CA 0.279 56.295 56.048 -0.054 0.000 1.131 148 H CB 2.459 32.199 29.762 -0.035 0.000 1.849 148 H HN 0.661 nan 8.280 nan 0.000 0.555 149 G N 1.936 110.436 108.800 -0.501 0.000 2.179 149 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.260 149 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.260 149 G C 0.822 175.608 174.900 -0.190 0.000 0.977 149 G CA 0.770 45.706 45.100 -0.272 0.000 0.641 149 G HN 0.673 nan 8.290 nan 0.000 0.533 150 I N -2.061 118.388 120.570 -0.203 0.000 4.227 150 I HA 0.560 4.728 4.170 -0.003 0.000 0.334 150 I C 1.349 177.368 176.117 -0.163 0.000 1.341 150 I CA 0.259 61.474 61.300 -0.142 0.000 1.123 150 I CB 0.186 38.123 38.000 -0.105 0.000 1.097 150 I HN 1.097 nan 8.210 nan 0.000 0.399 154 G N 1.969 110.638 108.800 -0.217 0.000 2.469 154 G HA2 0.087 4.045 3.960 -0.003 0.000 0.220 154 G HA3 0.087 4.045 3.960 -0.003 0.000 0.220 154 G C 1.375 176.146 174.900 -0.215 0.000 1.136 154 G CA 1.206 46.197 45.100 -0.182 0.000 0.759 154 G HN 0.910 nan 8.290 nan 0.000 0.562 155 G N 0.933 109.525 108.800 -0.347 0.000 2.480 155 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.216 155 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.216 155 G C 1.779 176.469 174.900 -0.351 0.000 1.200 155 G CA 0.824 45.577 45.100 -0.578 0.000 0.782 155 G HN 0.409 nan 8.290 nan 0.000 0.554 156 L N 0.627 121.695 121.223 -0.259 0.000 2.093 156 L HA -0.028 4.310 4.340 -0.003 0.000 0.208 156 L C 3.406 180.221 176.870 -0.092 0.000 1.085 156 L CA 0.896 55.664 54.840 -0.120 0.000 0.755 156 L CB -0.381 41.616 42.059 -0.104 0.000 0.904 156 L HN 0.348 nan 8.230 nan 0.000 0.435 157 A N 0.018 122.775 122.820 -0.105 0.000 1.930 157 A HA -0.123 4.196 4.320 -0.003 0.000 0.217 157 A C 2.524 180.054 177.584 -0.091 0.000 1.175 157 A CA 1.536 53.520 52.037 -0.090 0.000 0.627 157 A CB -0.532 18.421 19.000 -0.079 0.000 0.815 157 A HN 0.391 nan 8.150 nan 0.000 0.443 158 A N -0.484 122.297 122.820 -0.064 0.000 1.933 158 A HA -0.019 4.299 4.320 -0.003 0.000 0.218 158 A C 2.114 179.677 177.584 -0.035 0.000 1.175 158 A CA 1.683 53.703 52.037 -0.027 0.000 0.628 158 A CB -0.568 18.452 19.000 0.034 0.000 0.814 158 A HN 0.646 nan 8.150 nan 0.000 0.444 159 L N -0.033 121.193 121.223 0.006 0.000 2.046 159 L HA -0.108 4.230 4.340 -0.003 0.000 0.208 159 L C 2.468 179.187 176.870 -0.251 0.000 1.077 159 L CA 2.461 57.272 54.840 -0.048 0.000 0.747 159 L CB -0.584 41.507 42.059 0.053 0.000 0.896 159 L HN 0.496 nan 8.230 nan 0.000 0.432 160 R N -1.295 119.017 120.500 -0.313 0.000 2.066 160 R HA -0.146 4.192 4.340 -0.003 0.000 0.232 160 R C 2.023 178.012 176.300 -0.518 0.000 1.131 160 R CA 1.998 57.732 56.100 -0.610 0.000 0.955 160 R CB -0.565 29.456 30.300 -0.464 0.000 0.851 160 R HN 0.397 nan 8.270 nan 0.000 0.432 161 T N 0.913 115.295 114.554 -0.288 0.000 2.665 161 T HA -0.179 4.169 4.350 -0.003 0.000 0.268 161 T C 1.886 176.446 174.700 -0.234 0.000 1.035 161 T CA 1.600 63.576 62.100 -0.206 0.000 1.151 161 T CB -0.434 68.361 68.868 -0.123 0.000 0.862 161 T HN 0.499 nan 8.240 nan 0.000 0.438 162 A N 1.355 124.034 122.820 -0.234 0.000 1.940 162 A HA 0.124 4.442 4.320 -0.003 0.000 0.219 162 A C 2.636 180.038 177.584 -0.304 0.000 1.176 162 A CA 1.878 53.764 52.037 -0.251 0.000 0.631 162 A CB -1.047 17.836 19.000 -0.196 0.000 0.814 162 A HN 0.533 nan 8.150 nan 0.000 0.446 163 A N 0.273 122.858 122.820 -0.392 0.000 1.898 163 A HA -0.177 4.142 4.320 -0.003 0.000 0.216 163 A C 1.948 179.351 177.584 -0.302 0.000 1.181 163 A CA 1.685 53.457 52.037 -0.442 0.000 0.620 163 A CB -0.568 17.870 19.000 -0.938 0.000 0.819 163 A HN 0.548 nan 8.150 nan 0.000 0.442 164 N N 0.358 118.879 118.700 -0.298 0.000 2.084 164 N HA -0.097 4.642 4.740 -0.003 0.000 0.190 164 N C 1.719 177.164 175.510 -0.109 0.000 1.030 164 N CA 1.439 54.421 53.050 -0.113 0.000 0.849 164 N CB -0.566 37.873 38.487 -0.080 0.000 1.012 164 N HN 0.500 nan 8.380 nan 0.000 0.423 165 L N 0.291 121.399 121.223 -0.192 0.000 2.012 165 L HA -0.194 4.144 4.340 -0.003 0.000 0.210 165 L C 2.567 179.239 176.870 -0.330 0.000 1.073 165 L CA 0.911 55.588 54.840 -0.271 0.000 0.748 165 L CB -0.632 41.167 42.059 -0.432 0.000 0.891 165 L HN 0.209 nan 8.230 nan 0.000 0.431 166 C N 0.020 119.125 119.300 -0.325 0.000 2.398 166 C HA -0.199 4.259 4.460 -0.003 0.000 0.276 166 C C 2.781 177.744 174.990 -0.045 0.000 1.222 166 C CA 0.850 59.745 59.018 -0.205 0.000 1.746 166 C CB -0.813 26.835 27.740 -0.154 0.000 2.039 166 C HN 0.426 nan 8.230 nan 0.000 0.470 167 L N 0.270 121.480 121.223 -0.020 0.000 2.217 167 L HA 0.002 4.341 4.340 -0.003 0.000 0.211 167 L C 2.720 179.630 176.870 0.067 0.000 1.107 167 L CA 1.313 56.181 54.840 0.046 0.000 0.783 167 L CB -0.930 41.176 42.059 0.078 0.000 0.919 167 L HN 0.519 nan 8.230 nan 0.000 0.442 168 G N -1.212 107.626 108.800 0.063 0.000 2.440 168 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.218 168 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.218 168 G C 1.414 176.424 174.900 0.184 0.000 1.154 168 G CA 0.598 45.766 45.100 0.113 0.000 0.767 168 G HN 0.426 nan 8.290 nan 0.000 0.552 169 H N -0.068 119.028 119.070 0.043 0.000 2.357 169 H HA -0.060 4.494 4.556 -0.003 0.000 0.301 169 H C 2.981 178.331 175.328 0.037 0.000 1.082 169 H CA 1.331 57.416 56.048 0.061 0.000 1.342 169 H CB 0.083 29.908 29.762 0.105 0.000 1.389 169 H HN 0.291 nan 8.280 nan 0.000 0.511 170 T N 0.767 115.407 114.554 0.144 0.000 2.699 170 T HA -0.218 4.130 4.350 -0.003 0.000 0.268 170 T C 2.231 176.961 174.700 0.050 0.000 1.036 170 T CA 1.167 63.314 62.100 0.078 0.000 1.147 170 T CB -0.418 68.490 68.868 0.066 0.000 0.862 170 T HN 0.441 nan 8.240 nan 0.000 0.446 171 A N 1.319 124.170 122.820 0.051 0.000 2.019 171 A HA -0.076 4.242 4.320 -0.003 0.000 0.219 171 A C 2.196 179.786 177.584 0.011 0.000 1.164 171 A CA 1.125 53.181 52.037 0.032 0.000 0.644 171 A CB -0.304 18.718 19.000 0.037 0.000 0.805 171 A HN 0.447 nan 8.150 nan 0.000 0.449 172 R N -1.681 118.815 120.500 -0.006 0.000 2.432 172 R HA 0.258 4.596 4.340 -0.003 0.000 0.260 172 R C 1.040 177.314 176.300 -0.043 0.000 0.935 172 R CA 0.450 56.526 56.100 -0.041 0.000 1.080 172 R CB 0.146 30.389 30.300 -0.095 0.000 1.155 172 R HN 0.615 nan 8.270 nan 0.000 0.531 173 G N 2.171 110.962 108.800 -0.015 0.000 2.153 173 G HA2 -0.328 3.630 3.960 -0.003 0.000 0.252 173 G HA3 -0.328 3.630 3.960 -0.003 0.000 0.252 173 G C -0.226 174.671 174.900 -0.006 0.000 0.994 173 G CA 0.312 45.409 45.100 -0.005 0.000 0.698 173 G HN 0.269 nan 8.290 nan 0.000 0.521 174 K N 0.659 121.052 120.400 -0.011 0.000 2.159 174 K HA 0.517 4.835 4.320 -0.003 0.000 0.266 174 K C -2.591 174.077 176.600 0.114 0.000 0.975 174 K CA -2.231 54.058 56.287 0.004 0.000 0.865 174 K CB 1.707 34.112 32.500 -0.157 0.000 1.087 174 K HN -0.038 nan 8.250 nan 0.000 0.446 175 P HA -0.014 nan 4.420 nan 0.000 0.266 175 P C -1.355 176.065 177.300 0.199 0.000 1.195 175 P CA 0.001 63.171 63.100 0.117 0.000 0.768 175 P CB 0.757 32.501 31.700 0.073 0.000 0.838 176 A N 3.577 126.472 122.820 0.126 0.000 2.381 176 A HA 0.679 4.997 4.320 -0.003 0.000 0.299 176 A C -0.766 176.830 177.584 0.020 0.000 1.049 176 A CA -0.621 51.462 52.037 0.076 0.000 0.715 176 A CB 1.327 20.325 19.000 -0.004 0.000 1.222 176 A HN 0.324 nan 8.150 nan 0.000 0.428 177 R N 2.625 123.138 120.500 0.022 0.000 2.451 177 R HA 0.502 4.840 4.340 -0.003 0.000 0.307 177 R C -1.368 174.927 176.300 -0.007 0.000 0.965 177 R CA -0.315 55.781 56.100 -0.007 0.000 0.865 177 R CB 1.207 31.503 30.300 -0.006 0.000 1.174 177 R HN 0.696 nan 8.270 nan 0.000 0.455 178 I N 3.964 124.504 120.570 -0.049 0.000 2.362 178 I HA 0.217 4.386 4.170 -0.003 0.000 0.289 178 I C 0.011 176.087 176.117 -0.069 0.000 0.994 178 I CA -1.274 59.993 61.300 -0.056 0.000 1.158 178 I CB 1.849 39.768 38.000 -0.135 0.000 1.315 178 I HN 0.256 nan 8.210 nan 0.000 0.451 179 L N 9.083 130.279 121.223 -0.047 0.000 2.385 179 L HA 0.280 4.618 4.340 -0.003 0.000 0.281 179 L C -0.455 176.386 176.870 -0.049 0.000 1.106 179 L CA 0.216 55.024 54.840 -0.054 0.000 0.856 179 L CB 0.654 42.693 42.059 -0.034 0.000 1.186 179 L HN 0.306 nan 8.230 nan 0.000 0.453 180 V N 6.733 126.598 119.914 -0.083 0.000 2.370 180 V HA 0.497 4.615 4.120 -0.003 0.000 0.279 180 V C -0.219 175.918 176.094 0.073 0.000 1.029 180 V CA -0.555 61.729 62.300 -0.026 0.000 0.870 180 V CB 1.215 32.989 31.823 -0.082 0.000 0.984 180 V HN 0.686 nan 8.190 nan 0.000 0.451 181 L N 4.698 126.027 121.223 0.177 0.000 2.431 181 L HA 0.961 5.299 4.340 -0.003 0.000 0.266 181 L C -0.369 176.654 176.870 0.255 0.000 0.978 181 L CA -0.412 54.559 54.840 0.218 0.000 0.822 181 L CB 1.944 44.096 42.059 0.155 0.000 1.310 181 L HN 0.755 nan 8.230 nan 0.000 0.409 182 A N 4.595 127.551 122.820 0.227 0.000 2.374 182 A HA 0.801 5.119 4.320 -0.003 0.000 0.305 182 A C -2.045 175.568 177.584 0.050 0.000 1.053 182 A CA -0.432 51.670 52.037 0.109 0.000 0.726 182 A CB 1.444 20.405 19.000 -0.065 0.000 1.229 182 A HN 0.839 nan 8.150 nan 0.000 0.431 183 L N 1.842 123.068 121.223 0.006 0.000 2.438 183 L HA 0.753 5.091 4.340 -0.003 0.000 0.270 183 L C -1.183 175.611 176.870 -0.126 0.000 0.972 183 L CA -0.040 54.706 54.840 -0.157 0.000 0.831 183 L CB 1.875 43.693 42.059 -0.402 0.000 1.273 183 L HN 0.656 nan 8.230 nan 0.000 0.405 184 E N 4.692 124.819 120.200 -0.122 0.000 2.272 184 E HA 0.559 4.907 4.350 -0.003 0.000 0.269 184 E C -1.385 175.178 176.600 -0.060 0.000 0.877 184 E CA -0.619 55.755 56.400 -0.043 0.000 0.755 184 E CB 2.781 32.453 29.700 -0.046 0.000 1.192 184 E HN 0.387 nan 8.360 nan 0.000 0.422 185 V N 2.334 122.269 119.914 0.034 0.000 2.357 185 V HA 0.119 4.237 4.120 -0.003 0.000 0.281 185 V C 0.919 177.046 176.094 0.055 0.000 1.015 185 V CA -0.313 61.992 62.300 0.007 0.000 0.827 185 V CB 0.922 32.725 31.823 -0.034 0.000 1.018 185 V HN 0.783 nan 8.190 nan 0.000 0.432 186 S N 1.643 117.362 115.700 0.031 0.000 2.497 186 S HA -0.092 4.376 4.470 -0.003 0.000 0.221 186 S C 1.961 176.592 174.600 0.051 0.000 1.037 186 S CA 0.710 58.929 58.200 0.031 0.000 0.920 186 S CB -0.034 63.181 63.200 0.024 0.000 0.800 186 S HN 0.788 nan 8.310 nan 0.000 0.505 187 T N 1.615 116.191 114.554 0.037 0.000 2.849 187 T HA -0.161 4.187 4.350 -0.003 0.000 0.270 187 T C 1.985 176.678 174.700 -0.012 0.000 1.066 187 T CA 1.897 64.010 62.100 0.021 0.000 1.130 187 T CB -1.616 67.246 68.868 -0.010 0.000 0.864 187 T HN 0.630 nan 8.240 nan 0.000 0.481 188 T N -0.008 114.527 114.554 -0.031 0.000 2.977 188 T HA 0.081 4.429 4.350 -0.003 0.000 0.271 188 T C 1.665 176.362 174.700 -0.004 0.000 1.105 188 T CA 0.705 62.776 62.100 -0.049 0.000 1.116 188 T CB -0.682 68.159 68.868 -0.044 0.000 0.878 188 T HN 0.426 nan 8.240 nan 0.000 0.509 189 M N 0.786 120.405 119.600 0.031 0.000 2.505 189 M HA 0.276 4.754 4.480 -0.003 0.000 0.230 189 M C 2.079 178.406 176.300 0.043 0.000 1.153 189 M CA -0.130 55.197 55.300 0.045 0.000 0.997 189 M CB 0.065 32.711 32.600 0.076 0.000 1.606 189 M HN 0.160 nan 8.290 nan 0.000 0.481 190 V N 1.096 121.032 119.914 0.036 0.000 2.324 190 V HA -0.283 3.835 4.120 -0.003 0.000 0.250 190 V C 2.402 178.524 176.094 0.046 0.000 1.060 190 V CA 2.060 64.388 62.300 0.047 0.000 1.042 190 V CB -0.289 31.559 31.823 0.043 0.000 0.650 190 V HN 0.492 nan 8.190 nan 0.000 0.450 191 R N -0.396 120.113 120.500 0.014 0.000 2.119 191 R HA -0.030 4.309 4.340 -0.003 0.000 0.222 191 R C 2.600 178.923 176.300 0.037 0.000 1.088 191 R CA 1.386 57.490 56.100 0.007 0.000 0.984 191 R CB -1.033 29.206 30.300 -0.102 0.000 0.884 191 R HN 0.621 nan 8.270 nan 0.000 0.447 192 S N 1.096 116.808 115.700 0.019 0.000 2.353 192 S HA -0.154 4.315 4.470 -0.003 0.000 0.222 192 S C 1.721 176.340 174.600 0.031 0.000 1.035 192 S CA 1.207 59.419 58.200 0.019 0.000 1.025 192 S CB 0.047 63.254 63.200 0.012 0.000 0.902 192 S HN 0.199 nan 8.310 nan 0.000 0.440 193 E N 1.144 121.370 120.200 0.042 0.000 2.085 193 E HA -0.104 4.244 4.350 -0.003 0.000 0.194 193 E C 2.202 178.814 176.600 0.020 0.000 0.994 193 E CA 1.072 57.497 56.400 0.042 0.000 0.801 193 E CB -0.656 29.083 29.700 0.065 0.000 0.743 193 E HN 0.547 nan 8.360 nan 0.000 0.453 194 L N 0.689 121.939 121.223 0.044 0.000 2.042 194 L HA -0.226 4.112 4.340 -0.003 0.000 0.210 194 L C 2.685 179.461 176.870 -0.157 0.000 1.076 194 L CA 1.617 56.468 54.840 0.019 0.000 0.749 194 L CB -0.436 41.756 42.059 0.221 0.000 0.893 194 L HN 0.192 nan 8.230 nan 0.000 0.432 195 E N -0.019 120.187 120.200 0.010 0.000 2.058 195 E HA -0.219 4.129 4.350 -0.003 0.000 0.194 195 E C 2.194 178.748 176.600 -0.076 0.000 0.997 195 E CA 1.781 58.176 56.400 -0.007 0.000 0.801 195 E CB 0.035 29.785 29.700 0.084 0.000 0.746 195 E HN 0.331 nan 8.360 nan 0.000 0.450 196 S N 0.319 115.995 115.700 -0.040 0.000 2.368 196 S HA -0.138 4.330 4.470 -0.003 0.000 0.225 196 S C 1.949 176.518 174.600 -0.051 0.000 1.030 196 S CA 1.275 59.456 58.200 -0.031 0.000 0.999 196 S CB -0.304 62.893 63.200 -0.005 0.000 0.844 196 S HN 0.289 nan 8.310 nan 0.000 0.459 197 I N 1.582 122.110 120.570 -0.071 0.000 2.163 197 I HA -0.257 3.911 4.170 -0.003 0.000 0.243 197 I C 2.385 178.436 176.117 -0.110 0.000 1.085 197 I CA 1.763 63.017 61.300 -0.077 0.000 1.347 197 I CB -0.381 37.575 38.000 -0.073 0.000 1.044 197 I HN 0.278 nan 8.210 nan 0.000 0.408 198 D N 0.556 120.828 120.400 -0.213 0.000 2.097 198 D HA -0.141 4.497 4.640 -0.003 0.000 0.197 198 D C 2.172 178.416 176.300 -0.092 0.000 0.984 198 D CA 1.434 55.311 54.000 -0.204 0.000 0.826 198 D CB 0.015 40.561 40.800 -0.424 0.000 0.973 198 D HN 0.280 nan 8.370 nan 0.000 0.460 199 A N -0.010 122.765 122.820 -0.076 0.000 1.877 199 A HA -0.064 4.254 4.320 -0.003 0.000 0.216 199 A C 2.282 179.855 177.584 -0.018 0.000 1.186 199 A CA 1.355 53.376 52.037 -0.025 0.000 0.620 199 A CB -0.767 18.226 19.000 -0.011 0.000 0.822 199 A HN 0.382 nan 8.150 nan 0.000 0.443 200 L N -2.042 119.168 121.223 -0.022 0.000 2.477 200 L HA 0.059 4.397 4.340 -0.003 0.000 0.220 200 L C 0.340 177.204 176.870 -0.010 0.000 1.106 200 L CA 0.062 54.896 54.840 -0.011 0.000 0.851 200 L CB -0.081 41.974 42.059 -0.006 0.000 0.994 200 L HN 0.308 nan 8.230 nan 0.000 0.462 201 Q N 1.212 121.000 119.800 -0.019 0.000 2.478 201 Q HA -0.189 4.149 4.340 -0.003 0.000 0.286 201 Q C -0.215 175.782 176.000 -0.006 0.000 1.299 201 Q CA 1.048 56.843 55.803 -0.014 0.000 0.826 201 Q CB -1.743 26.991 28.738 -0.007 0.000 1.199 201 Q HN 0.793 nan 8.270 nan 0.000 0.451 202 E N -1.779 118.417 120.200 -0.007 0.000 2.227 202 E HA 0.587 4.935 4.350 -0.003 0.000 0.268 202 E C -0.011 176.590 176.600 0.003 0.000 0.907 202 E CA -0.696 55.706 56.400 0.003 0.000 0.786 202 E CB 1.204 30.910 29.700 0.009 0.000 1.191 202 E HN 0.134 nan 8.360 nan 0.000 0.411 203 T N 1.440 115.999 114.554 0.009 0.000 2.776 203 T HA 0.266 4.614 4.350 -0.003 0.000 0.292 203 T C -0.253 174.457 174.700 0.017 0.000 0.921 203 T CA -0.754 61.351 62.100 0.009 0.000 1.038 203 T CB -0.105 68.771 68.868 0.013 0.000 0.910 203 T HN 0.446 nan 8.240 nan 0.000 0.536 204 R N 4.024 124.535 120.500 0.017 0.000 2.288 204 R HA 0.417 4.755 4.340 -0.003 0.000 0.326 204 R C 1.229 177.550 176.300 0.035 0.000 0.959 204 R CA -0.624 55.497 56.100 0.036 0.000 0.834 204 R CB 1.116 31.440 30.300 0.041 0.000 1.157 204 R HN 0.858 nan 8.270 nan 0.000 0.470 205 I N -0.526 120.067 120.570 0.038 0.000 3.793 205 I HA 0.233 4.401 4.170 -0.003 0.000 0.315 205 I C 1.481 177.612 176.117 0.023 0.000 1.275 205 I CA 0.153 61.460 61.300 0.011 0.000 1.214 205 I CB 0.326 38.319 38.000 -0.011 0.000 1.018 205 I HN 0.630 nan 8.210 nan 0.000 0.439 206 G N 3.603 112.472 108.800 0.114 0.000 2.529 206 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.219 206 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.219 206 G C 1.586 176.617 174.900 0.218 0.000 1.177 206 G CA 1.703 46.963 45.100 0.267 0.000 0.773 206 G HN 0.730 nan 8.290 nan 0.000 0.573 207 I N -0.910 119.744 120.570 0.140 0.000 2.530 207 I HA 0.055 4.223 4.170 -0.003 0.000 0.257 207 I C 2.631 178.771 176.117 0.039 0.000 1.179 207 I CA 1.446 62.808 61.300 0.103 0.000 1.440 207 I CB -0.289 37.754 38.000 0.071 0.000 1.087 207 I HN 0.147 nan 8.210 nan 0.000 0.440 208 A N 1.109 123.920 122.820 -0.015 0.000 2.123 208 A HA 0.270 4.588 4.320 -0.003 0.000 0.214 208 A C 2.210 179.720 177.584 -0.123 0.000 1.152 208 A CA 0.698 52.693 52.037 -0.069 0.000 0.728 208 A CB -0.276 18.670 19.000 -0.090 0.000 0.814 208 A HN 0.523 nan 8.150 nan 0.000 0.464 209 L N -2.397 118.707 121.223 -0.199 0.000 2.467 209 L HA 0.304 4.642 4.340 -0.003 0.000 0.213 209 L C -0.072 176.607 176.870 -0.318 0.000 1.053 209 L CA -0.162 54.466 54.840 -0.354 0.000 0.847 209 L CB -0.087 41.596 42.059 -0.626 0.000 1.075 209 L HN 0.206 nan 8.230 nan 0.000 0.479 210 F N 0.911 120.885 119.950 0.040 0.000 2.384 210 F HA 0.381 4.907 4.527 -0.003 0.000 0.338 210 F C 0.789 176.614 175.800 0.041 0.000 1.103 210 F CA -0.661 57.369 58.000 0.051 0.000 1.157 210 F CB 1.356 40.387 39.000 0.051 0.000 1.167 210 F HN -0.088 nan 8.300 nan 0.000 0.529 211 S N 0.365 116.233 115.700 0.281 0.000 2.685 211 S HA 0.640 5.108 4.470 -0.003 0.000 0.282 211 S C -1.753 172.942 174.600 0.158 0.000 1.159 211 S CA -1.145 57.163 58.200 0.181 0.000 0.833 211 S CB 2.114 65.416 63.200 0.170 0.000 1.151 211 S HN 0.375 nan 8.310 nan 0.000 0.485 212 D N 0.412 120.889 120.400 0.129 0.000 2.168 212 D HA 0.678 5.316 4.640 -0.003 0.000 0.246 212 D C -0.715 175.637 176.300 0.087 0.000 1.050 212 D CA -0.085 53.954 54.000 0.065 0.000 0.857 212 D CB 1.400 42.203 40.800 0.005 0.000 1.169 212 D HN 0.744 nan 8.370 nan 0.000 0.453 213 C N 1.475 120.748 119.300 -0.046 0.000 3.283 213 C HA 0.738 5.196 4.460 -0.003 0.000 0.359 213 C C -1.573 173.283 174.990 -0.223 0.000 1.160 213 C CA -0.367 58.523 59.018 -0.213 0.000 1.232 213 C CB 0.815 28.332 27.740 -0.372 0.000 1.571 213 C HN 0.729 nan 8.230 nan 0.000 0.522 214 A N 3.219 125.887 122.820 -0.253 0.000 2.355 214 A HA 0.963 5.281 4.320 -0.003 0.000 0.317 214 A C -0.309 177.186 177.584 -0.147 0.000 1.094 214 A CA 0.193 52.129 52.037 -0.168 0.000 0.764 214 A CB 1.355 20.275 19.000 -0.134 0.000 1.230 214 A HN 2.007 nan 8.150 nan 0.000 0.448 215 S N 0.337 116.018 115.700 -0.032 0.000 2.588 215 S HA 0.935 5.404 4.470 -0.003 0.000 0.275 215 S C -0.615 174.120 174.600 0.225 0.000 1.130 215 S CA -0.147 58.095 58.200 0.070 0.000 0.855 215 S CB 1.825 65.090 63.200 0.108 0.000 1.116 215 S HN 2.328 nan 8.310 nan 0.000 0.472 216 A N 0.744 123.639 122.820 0.125 0.000 2.547 216 A HA 0.838 5.156 4.320 -0.003 0.000 0.297 216 A C -0.611 176.804 177.584 -0.282 0.000 1.056 216 A CA -0.434 51.591 52.037 -0.021 0.000 0.688 216 A CB 1.302 20.297 19.000 -0.008 0.000 1.282 216 A HN 2.154 nan 8.150 nan 0.000 0.400 217 V N -0.397 119.200 119.914 -0.529 0.000 3.001 217 V HA 0.807 4.925 4.120 -0.003 0.000 0.314 217 V C -0.901 175.022 176.094 -0.286 0.000 1.099 217 V CA -1.020 60.995 62.300 -0.475 0.000 0.989 217 V CB 1.857 33.235 31.823 -0.742 0.000 1.040 217 V HN 0.688 nan 8.190 nan 0.000 0.434 218 I N 3.858 124.315 120.570 -0.188 0.000 2.312 218 I HA 0.463 4.631 4.170 -0.003 0.000 0.290 218 I C -0.426 175.619 176.117 -0.120 0.000 1.008 218 I CA -0.282 60.941 61.300 -0.128 0.000 1.226 218 I CB 1.178 39.129 38.000 -0.081 0.000 1.371 218 I HN 0.658 nan 8.210 nan 0.000 0.468 219 L N 6.537 127.687 121.223 -0.122 0.000 2.296 219 L HA 0.493 4.831 4.340 -0.003 0.000 0.286 219 L C 0.012 176.832 176.870 -0.083 0.000 1.023 219 L CA 0.310 55.086 54.840 -0.107 0.000 0.812 219 L CB 1.556 43.532 42.059 -0.137 0.000 1.223 219 L HN 0.610 nan 8.230 nan 0.000 0.421 220 S N 2.658 118.325 115.700 -0.055 0.000 2.532 220 S HA 0.422 4.890 4.470 -0.003 0.000 0.301 220 S C 0.528 175.116 174.600 -0.021 0.000 1.083 220 S CA -0.628 57.551 58.200 -0.034 0.000 1.025 220 S CB 0.996 64.183 63.200 -0.021 0.000 1.056 220 S HN 0.794 nan 8.310 nan 0.000 0.494 221 N N 2.693 121.388 118.700 -0.008 0.000 2.336 221 N HA 0.158 4.896 4.740 -0.003 0.000 0.189 221 N C 1.078 176.602 175.510 0.024 0.000 1.113 221 N CA 0.785 53.842 53.050 0.012 0.000 0.858 221 N CB -0.267 38.234 38.487 0.024 0.000 0.970 221 N HN 1.142 nan 8.380 nan 0.000 0.471 222 G N 0.267 109.078 108.800 0.018 0.000 2.143 222 G HA2 -0.249 3.710 3.960 -0.003 0.000 0.248 222 G HA3 -0.249 3.710 3.960 -0.003 0.000 0.248 222 G C -0.322 174.590 174.900 0.021 0.000 0.991 222 G CA 0.310 45.420 45.100 0.017 0.000 0.689 222 G HN 0.424 nan 8.290 nan 0.000 0.522 223 I N 0.010 120.597 120.570 0.028 0.000 2.377 223 I HA 0.517 4.685 4.170 -0.003 0.000 0.293 223 I C 1.463 177.596 176.117 0.026 0.000 0.987 223 I CA 0.184 61.501 61.300 0.029 0.000 1.185 223 I CB 1.531 39.554 38.000 0.039 0.000 1.341 223 I HN 0.711 nan 8.210 nan 0.000 0.455 224 G N 3.782 112.593 108.800 0.019 0.000 2.153 224 G HA2 -0.197 3.762 3.960 -0.003 0.000 0.252 224 G HA3 -0.197 3.762 3.960 -0.003 0.000 0.252 224 G C 0.032 174.939 174.900 0.010 0.000 0.994 224 G CA -0.348 44.761 45.100 0.015 0.000 0.698 224 G HN 0.653 nan 8.290 nan 0.000 0.521 225 E N 0.255 120.460 120.200 0.009 0.000 2.313 225 E HA 0.522 4.871 4.350 -0.003 0.000 0.276 225 E C 0.634 177.236 176.600 0.003 0.000 1.031 225 E CA 0.127 56.529 56.400 0.003 0.000 0.857 225 E CB 1.369 31.069 29.700 0.001 0.000 1.040 225 E HN 0.719 nan 8.360 nan 0.000 0.408 226 A N 5.042 127.862 122.820 0.001 0.000 2.484 226 A HA 0.198 4.516 4.320 -0.003 0.000 0.268 226 A C -1.843 175.741 177.584 -0.000 0.000 1.114 226 A CA -1.181 50.856 52.037 0.000 0.000 0.780 226 A CB -0.519 18.481 19.000 -0.001 0.000 1.061 226 A HN 0.320 nan 8.150 nan 0.000 0.505 227 P HA 0.004 nan 4.420 nan 0.000 0.113 227 P C 0.485 177.785 177.300 -0.001 0.000 0.708 227 P CA 2.089 65.190 63.100 0.001 0.000 1.193 227 P CB -0.671 31.030 31.700 0.002 0.000 1.567 228 G N 0.228 109.027 108.800 -0.002 0.000 2.243 228 G HA2 0.103 4.061 3.960 -0.003 0.000 0.231 228 G HA3 0.103 4.061 3.960 -0.003 0.000 0.231 228 G C -0.819 174.076 174.900 -0.008 0.000 2.559 228 G CA -0.882 44.215 45.100 -0.005 0.000 1.110 228 G HN 0.336 nan 8.290 nan 0.000 0.618 229 K N 1.202 121.596 120.400 -0.009 0.000 2.469 229 K HA 0.792 5.110 4.320 -0.003 0.000 0.254 229 K C -1.874 174.715 176.600 -0.018 0.000 0.939 229 K CA -1.456 54.823 56.287 -0.013 0.000 0.812 229 K CB 2.379 34.873 32.500 -0.010 0.000 1.301 229 K HN 0.300 nan 8.250 nan 0.000 0.433 230 P HA 0.541 nan 4.420 nan 0.000 0.274 230 P C -1.380 175.899 177.300 -0.035 0.000 1.256 230 P CA -0.650 62.430 63.100 -0.033 0.000 0.795 230 P CB 1.198 32.877 31.700 -0.035 0.000 1.038 231 A N -0.120 122.671 122.820 -0.050 0.000 2.601 231 A HA 0.488 4.806 4.320 -0.003 0.000 0.291 231 A C 0.203 177.730 177.584 -0.096 0.000 1.075 231 A CA -0.546 51.460 52.037 -0.052 0.000 0.671 231 A CB 0.370 19.352 19.000 -0.031 0.000 1.277 231 A HN 0.271 nan 8.150 nan 0.000 0.417 232 I N -0.546 119.955 120.570 -0.115 0.000 2.628 232 I HA 0.204 4.372 4.170 -0.003 0.000 0.255 232 I C -0.159 175.687 176.117 -0.453 0.000 1.119 232 I CA 1.101 62.234 61.300 -0.278 0.000 1.448 232 I CB -0.195 37.654 38.000 -0.252 0.000 1.133 232 I HN 0.559 nan 8.210 nan 0.000 0.438 233 Y N -0.157 120.115 120.300 -0.046 0.000 2.553 233 Y HA 0.453 5.001 4.550 -0.004 0.000 0.347 233 Y C -0.621 175.256 175.900 -0.039 0.000 1.019 233 Y CA -1.560 56.512 58.100 -0.047 0.000 1.032 233 Y CB 1.218 39.660 38.460 -0.029 0.000 1.284 233 Y HN -0.141 nan 8.280 nan 0.000 0.466 234 D N 2.087 122.564 120.400 0.128 0.000 2.168 234 D HA 0.258 4.896 4.640 -0.003 0.000 0.246 234 D C -1.099 175.270 176.300 0.114 0.000 1.050 234 D CA -0.480 53.573 54.000 0.089 0.000 0.857 234 D CB 2.623 43.454 40.800 0.051 0.000 1.169 234 D HN 0.276 nan 8.370 nan 0.000 0.453 235 L N 3.086 124.377 121.223 0.114 0.000 2.268 235 L HA 0.190 4.528 4.340 -0.003 0.000 0.289 235 L C 0.418 177.411 176.870 0.205 0.000 1.064 235 L CA 0.059 54.992 54.840 0.155 0.000 0.824 235 L CB 0.394 42.536 42.059 0.138 0.000 1.202 235 L HN 0.415 nan 8.230 nan 0.000 0.433 236 L N 4.307 125.631 121.223 0.168 0.000 2.408 236 L HA 0.502 4.840 4.340 -0.003 0.000 0.215 236 L C 1.006 177.872 176.870 -0.008 0.000 1.081 236 L CA 0.432 55.330 54.840 0.096 0.000 0.840 236 L CB -0.166 41.947 42.059 0.090 0.000 1.002 236 L HN 0.769 nan 8.230 nan 0.000 0.468 237 G N -0.936 107.883 108.800 0.033 0.000 2.466 237 G HA2 0.409 4.367 3.960 -0.003 0.000 0.291 237 G HA3 0.409 4.367 3.960 -0.003 0.000 0.291 237 G C -2.616 172.312 174.900 0.046 0.000 1.460 237 G CA -0.526 44.413 45.100 -0.268 0.000 0.791 237 G HN 0.101 nan 8.290 nan 0.000 0.505 238 W N -0.515 120.757 121.300 -0.048 0.000 3.213 238 W HA 0.844 5.502 4.660 -0.003 0.000 0.318 238 W C -0.976 175.519 176.519 -0.040 0.000 1.248 238 W CA -1.089 56.228 57.345 -0.046 0.000 1.187 238 W CB 1.448 30.888 29.460 -0.034 0.000 1.403 238 W HN 0.480 nan 8.180 nan 0.000 0.556 239 E N 2.544 122.843 120.200 0.164 0.000 2.317 239 E HA 0.350 4.698 4.350 -0.003 0.000 0.270 239 E C -1.114 175.567 176.600 0.135 0.000 0.885 239 E CA -0.932 55.528 56.400 0.100 0.000 0.760 239 E CB 2.398 32.117 29.700 0.031 0.000 1.227 239 E HN 0.561 nan 8.360 nan 0.000 0.434 240 N N 1.438 120.209 118.700 0.118 0.000 2.371 240 N HA 0.420 5.158 4.740 -0.003 0.000 0.291 240 N C -0.690 174.862 175.510 0.071 0.000 1.053 240 N CA -0.693 52.414 53.050 0.096 0.000 0.870 240 N CB 2.381 40.926 38.487 0.097 0.000 1.503 240 N HN 0.207 nan 8.380 nan 0.000 0.485 241 R N 1.031 121.570 120.500 0.065 0.000 2.795 241 R HA 0.539 4.877 4.340 -0.003 0.000 0.275 241 R C -1.035 175.292 176.300 0.046 0.000 0.981 241 R CA -0.849 55.282 56.100 0.052 0.000 0.917 241 R CB 2.526 32.857 30.300 0.050 0.000 1.202 241 R HN 0.406 nan 8.270 nan 0.000 0.469 242 V N 3.644 123.579 119.914 0.035 0.000 2.435 242 V HA 0.430 4.548 4.120 -0.003 0.000 0.290 242 V C 0.424 176.531 176.094 0.022 0.000 1.030 242 V CA -0.719 61.598 62.300 0.028 0.000 0.881 242 V CB 1.758 33.596 31.823 0.024 0.000 0.983 242 V HN 0.553 nan 8.190 nan 0.000 0.445 243 I N 7.228 127.808 120.570 0.015 0.000 2.322 243 I HA 0.256 4.424 4.170 -0.003 0.000 0.292 243 I C -2.104 174.016 176.117 0.006 0.000 1.060 243 I CA -1.618 59.685 61.300 0.005 0.000 1.309 243 I CB 1.106 39.099 38.000 -0.011 0.000 1.415 243 I HN 0.418 nan 8.210 nan 0.000 0.492 244 P HA -0.043 nan 4.420 nan 0.000 0.265 244 P C -0.459 176.856 177.300 0.026 0.000 1.187 244 P CA 0.263 63.375 63.100 0.020 0.000 0.766 244 P CB 0.273 31.985 31.700 0.020 0.000 0.820 245 D N 0.616 121.042 120.400 0.044 0.000 2.723 245 D HA -0.129 4.509 4.640 -0.003 0.000 0.236 245 D C 0.069 176.416 176.300 0.080 0.000 1.138 245 D CA 1.537 55.589 54.000 0.087 0.000 0.676 245 D CB -1.659 39.196 40.800 0.091 0.000 1.069 245 D HN 0.520 nan 8.370 nan 0.000 0.430 246 S N -2.443 113.254 115.700 -0.005 0.000 2.819 246 S HA 0.218 4.686 4.470 -0.003 0.000 0.249 246 S C 1.273 175.763 174.600 -0.183 0.000 1.030 246 S CA -0.492 57.611 58.200 -0.161 0.000 1.052 246 S CB 0.700 63.835 63.200 -0.109 0.000 1.017 246 S HN 0.057 nan 8.310 nan 0.000 0.576 247 E N 2.604 122.786 120.200 -0.031 0.000 2.118 247 E HA -0.194 4.154 4.350 -0.003 0.000 0.195 247 E C 1.837 178.443 176.600 0.011 0.000 0.992 247 E CA 1.801 58.211 56.400 0.016 0.000 0.804 247 E CB -0.485 29.263 29.700 0.080 0.000 0.741 247 E HN 0.891 nan 8.360 nan 0.000 0.458 248 H N -0.405 118.676 119.070 0.017 0.000 2.555 248 H HA 0.102 4.656 4.556 -0.003 0.000 0.269 248 H C 0.471 175.812 175.328 0.022 0.000 0.988 248 H CA 0.857 56.916 56.048 0.019 0.000 1.178 248 H CB 0.159 29.930 29.762 0.016 0.000 1.373 248 H HN 0.130 nan 8.280 nan 0.000 0.588 249 D N 0.620 120.795 120.400 -0.377 0.000 2.305 249 D HA 0.087 4.725 4.640 -0.003 0.000 0.206 249 D C 0.088 176.342 176.300 -0.077 0.000 0.974 249 D CA 0.291 54.147 54.000 -0.240 0.000 0.871 249 D CB 0.752 41.378 40.800 -0.290 0.000 0.947 249 D HN 0.235 nan 8.370 nan 0.000 0.516 250 L N -0.636 120.558 121.223 -0.048 0.000 2.565 250 L HA 0.562 4.900 4.340 -0.003 0.000 0.261 250 L C -0.501 176.376 176.870 0.012 0.000 0.932 250 L CA -0.132 54.710 54.840 0.005 0.000 0.878 250 L CB 2.012 44.078 42.059 0.012 0.000 1.333 250 L HN 0.048 nan 8.230 nan 0.000 0.409 251 G N 1.785 110.601 108.800 0.026 0.000 2.340 251 G HA2 0.584 4.542 3.960 -0.003 0.000 0.299 251 G HA3 0.584 4.542 3.960 -0.003 0.000 0.299 251 G C -1.209 173.702 174.900 0.018 0.000 1.291 251 G CA -0.066 45.044 45.100 0.016 0.000 0.841 251 G HN 1.015 nan 8.290 nan 0.000 0.500 252 G N 0.429 109.250 108.800 0.035 0.000 2.562 252 G HA2 0.491 4.449 3.960 -0.003 0.000 0.298 252 G HA3 0.491 4.449 3.960 -0.003 0.000 0.298 252 G C -1.639 173.396 174.900 0.225 0.000 1.499 252 G CA -0.510 44.646 45.100 0.092 0.000 1.036 252 G HN 0.380 nan 8.290 nan 0.000 0.543 253 D N 1.546 122.055 120.400 0.182 0.000 2.316 253 D HA 0.207 4.846 4.640 -0.003 0.000 0.245 253 D C 0.810 177.152 176.300 0.070 0.000 1.171 253 D CA -0.135 53.946 54.000 0.135 0.000 0.856 253 D CB 2.357 43.194 40.800 0.062 0.000 1.090 253 D HN 0.223 nan 8.370 nan 0.000 0.476 254 V N 2.537 122.470 119.914 0.031 0.000 2.788 254 V HA -0.004 4.114 4.120 -0.003 0.000 0.307 254 V C 0.060 175.962 176.094 -0.319 0.000 1.069 254 V CA 0.813 62.887 62.300 -0.375 0.000 1.173 254 V CB 1.077 32.783 31.823 -0.194 0.000 0.925 254 V HN 0.627 nan 8.190 nan 0.000 0.492 255 D N 4.721 124.842 120.400 -0.463 0.000 2.661 255 D HA 0.535 5.173 4.640 -0.003 0.000 0.228 255 D C -2.021 174.105 176.300 -0.290 0.000 1.210 255 D CA -1.050 52.783 54.000 -0.277 0.000 0.826 255 D CB 2.324 43.005 40.800 -0.197 0.000 1.542 255 D HN 0.261 nan 8.370 nan 0.000 0.447 256 P HA -0.131 nan 4.420 nan 0.000 0.218 256 P C 0.966 178.168 177.300 -0.163 0.000 1.146 256 P CA 1.274 64.278 63.100 -0.160 0.000 0.813 256 P CB 0.076 31.714 31.700 -0.103 0.000 0.778 257 M N -1.821 117.686 119.600 -0.155 0.000 2.505 257 M HA 0.253 4.732 4.480 -0.003 0.000 0.230 257 M C 1.092 177.306 176.300 -0.145 0.000 1.153 257 M CA 0.418 55.647 55.300 -0.118 0.000 0.997 257 M CB 0.237 32.795 32.600 -0.070 0.000 1.606 257 M HN 0.062 nan 8.290 nan 0.000 0.481 258 G N 0.388 109.008 108.800 -0.301 0.000 2.637 258 G HA2 -0.151 3.808 3.960 -0.003 0.000 0.211 258 G HA3 -0.151 3.808 3.960 -0.003 0.000 0.211 258 G C -1.669 172.834 174.900 -0.661 0.000 1.213 258 G CA -0.848 44.003 45.100 -0.416 0.000 1.207 258 G HN 0.357 nan 8.290 nan 0.000 0.559 259 W N 1.780 123.054 121.300 -0.043 0.000 2.619 259 W HA 0.579 5.237 4.660 -0.004 0.000 0.327 259 W C -0.360 176.132 176.519 -0.045 0.000 1.027 259 W CA -0.841 56.475 57.345 -0.049 0.000 1.233 259 W CB 1.958 31.374 29.460 -0.074 0.000 1.370 259 W HN 0.189 nan 8.180 nan 0.000 0.453 260 K N 2.840 123.308 120.400 0.114 0.000 2.276 260 K HA 0.278 4.596 4.320 -0.003 0.000 0.285 260 K C -0.042 176.612 176.600 0.089 0.000 1.062 260 K CA -0.586 55.746 56.287 0.075 0.000 0.918 260 K CB 1.762 34.282 32.500 0.033 0.000 1.055 260 K HN 0.164 nan 8.250 nan 0.000 0.477 261 V N 3.719 123.680 119.914 0.079 0.000 2.655 261 V HA 0.040 4.158 4.120 -0.003 0.000 0.300 261 V C 0.375 176.516 176.094 0.079 0.000 1.044 261 V CA -0.377 61.968 62.300 0.075 0.000 1.095 261 V CB 1.112 33.001 31.823 0.111 0.000 0.952 261 V HN 0.356 nan 8.190 nan 0.000 0.485 262 V N 6.413 126.371 119.914 0.073 0.000 2.459 262 V HA 0.613 4.731 4.120 -0.003 0.000 0.295 262 V C -0.429 175.710 176.094 0.074 0.000 1.029 262 V CA -0.589 61.752 62.300 0.069 0.000 0.874 262 V CB 1.561 33.420 31.823 0.060 0.000 0.985 262 V HN 0.654 nan 8.190 nan 0.000 0.438 263 L N 5.146 126.411 121.223 0.070 0.000 2.676 263 L HA 0.548 4.886 4.340 -0.003 0.000 0.262 263 L C -0.038 176.860 176.870 0.047 0.000 0.965 263 L CA 0.135 55.014 54.840 0.067 0.000 0.920 263 L CB 1.892 44.010 42.059 0.098 0.000 1.260 263 L HN 0.776 nan 8.230 nan 0.000 0.422 264 S N 4.425 120.140 115.700 0.025 0.000 2.693 264 S HA 0.692 5.160 4.470 -0.003 0.000 0.276 264 S C -1.707 172.902 174.600 0.015 0.000 1.192 264 S CA -0.768 57.446 58.200 0.024 0.000 0.994 264 S CB 1.005 64.212 63.200 0.011 0.000 1.012 264 S HN 0.604 nan 8.310 nan 0.000 0.550 265 P HA -0.085 nan 4.420 nan 0.000 0.219 265 P C 0.875 178.171 177.300 -0.006 0.000 1.146 265 P CA 1.102 64.208 63.100 0.011 0.000 0.808 265 P CB -0.067 31.643 31.700 0.017 0.000 0.779 266 R N -0.623 119.868 120.500 -0.015 0.000 2.236 266 R HA 0.029 4.367 4.340 -0.003 0.000 0.208 266 R C 2.186 178.451 176.300 -0.058 0.000 1.036 266 R CA 0.371 56.451 56.100 -0.033 0.000 1.001 266 R CB -0.908 29.371 30.300 -0.035 0.000 0.896 266 R HN 0.071 nan 8.270 nan 0.000 0.464 267 V N 2.061 121.942 119.914 -0.055 0.000 2.252 267 V HA -0.196 3.922 4.120 -0.003 0.000 0.249 267 V C -0.760 175.264 176.094 -0.117 0.000 1.056 267 V CA 1.983 64.239 62.300 -0.074 0.000 1.022 267 V CB -1.089 30.715 31.823 -0.032 0.000 0.641 267 V HN 0.236 nan 8.190 nan 0.000 0.445 268 P HA -0.082 nan 4.420 nan 0.000 0.217 268 P C 1.871 179.084 177.300 -0.145 0.000 1.150 268 P CA 1.134 64.159 63.100 -0.123 0.000 0.832 268 P CB -0.072 31.585 31.700 -0.072 0.000 0.787 269 V N -0.293 119.558 119.914 -0.106 0.000 2.270 269 V HA -0.218 3.900 4.120 -0.003 0.000 0.245 269 V C 2.502 178.524 176.094 -0.119 0.000 1.043 269 V CA 1.568 63.811 62.300 -0.096 0.000 1.014 269 V CB -1.305 30.480 31.823 -0.063 0.000 0.645 269 V HN 0.046 nan 8.190 nan 0.000 0.447 270 L N 0.213 121.363 121.223 -0.122 0.000 2.013 270 L HA -0.247 4.091 4.340 -0.003 0.000 0.212 270 L C 2.748 179.500 176.870 -0.197 0.000 1.073 270 L CA 1.910 56.673 54.840 -0.129 0.000 0.753 270 L CB -0.880 41.110 42.059 -0.115 0.000 0.890 270 L HN 0.399 nan 8.230 nan 0.000 0.432 271 A N -0.141 122.485 122.820 -0.324 0.000 1.898 271 A HA -0.241 4.077 4.320 -0.003 0.000 0.216 271 A C 2.423 179.741 177.584 -0.445 0.000 1.181 271 A CA 1.911 53.579 52.037 -0.614 0.000 0.620 271 A CB -0.445 17.873 19.000 -1.137 0.000 0.819 271 A HN 0.357 nan 8.150 nan 0.000 0.442 272 K N -0.252 119.971 120.400 -0.294 0.000 2.057 272 K HA -0.050 4.268 4.320 -0.003 0.000 0.206 272 K C 2.004 178.531 176.600 -0.122 0.000 1.050 272 K CA 1.238 57.416 56.287 -0.182 0.000 0.935 272 K CB -0.302 32.114 32.500 -0.140 0.000 0.715 272 K HN 0.341 nan 8.250 nan 0.000 0.439 273 A N 0.820 123.573 122.820 -0.111 0.000 2.119 273 A HA -0.074 4.244 4.320 -0.003 0.000 0.217 273 A C 1.963 179.520 177.584 -0.044 0.000 1.153 273 A CA 1.533 53.529 52.037 -0.068 0.000 0.692 273 A CB -0.423 18.541 19.000 -0.059 0.000 0.799 273 A HN 0.545 nan 8.150 nan 0.000 0.458 274 S N -0.332 115.335 115.700 -0.055 0.000 2.489 274 S HA 0.036 4.504 4.470 -0.003 0.000 0.228 274 S C 1.768 176.396 174.600 0.047 0.000 0.995 274 S CA 0.752 58.948 58.200 -0.007 0.000 0.934 274 S CB -0.578 62.614 63.200 -0.014 0.000 0.771 274 S HN 0.461 nan 8.310 nan 0.000 0.522 275 L N 0.769 122.016 121.223 0.039 0.000 1.976 275 L HA -0.182 4.157 4.340 -0.003 0.000 0.209 275 L C 3.051 180.001 176.870 0.134 0.000 1.071 275 L CA 1.832 56.736 54.840 0.106 0.000 0.746 275 L CB -0.860 41.222 42.059 0.039 0.000 0.890 275 L HN 0.325 nan 8.230 nan 0.000 0.432 276 Q N -0.013 119.829 119.800 0.069 0.000 2.029 276 Q HA -0.198 4.140 4.340 -0.003 0.000 0.209 276 Q C -0.534 175.551 176.000 0.141 0.000 0.999 276 Q CA 2.222 58.078 55.803 0.089 0.000 0.857 276 Q CB -1.558 27.200 28.738 0.033 0.000 0.926 276 Q HN 0.451 nan 8.270 nan 0.000 0.415 277 P HA -0.037 nan 4.420 nan 0.000 0.222 277 P C 0.702 178.057 177.300 0.090 0.000 1.153 277 P CA 1.293 64.442 63.100 0.082 0.000 0.798 277 P CB 0.071 31.801 31.700 0.050 0.000 0.796 278 T N -0.726 113.897 114.554 0.114 0.000 2.737 278 T HA -0.184 4.164 4.350 -0.003 0.000 0.265 278 T C 1.764 176.535 174.700 0.118 0.000 1.038 278 T CA 1.213 63.379 62.100 0.110 0.000 1.144 278 T CB -1.196 67.754 68.868 0.136 0.000 0.866 278 T HN 0.093 nan 8.240 nan 0.000 0.434 279 Y N 2.109 122.445 120.300 0.059 0.000 2.242 279 Y HA 0.022 4.570 4.550 -0.003 0.000 0.291 279 Y C 2.520 178.419 175.900 -0.001 0.000 1.137 279 Y CA 0.915 59.036 58.100 0.035 0.000 1.181 279 Y CB -0.566 37.977 38.460 0.138 0.000 0.989 279 Y HN 0.174 nan 8.280 nan 0.000 0.527 280 A N 0.340 123.228 122.820 0.115 0.000 1.877 280 A HA -0.190 4.128 4.320 -0.003 0.000 0.216 280 A C 1.888 179.420 177.584 -0.088 0.000 1.186 280 A CA 2.003 54.044 52.037 0.006 0.000 0.620 280 A CB -0.889 18.167 19.000 0.093 0.000 0.822 280 A HN 0.540 nan 8.150 nan 0.000 0.443 281 D N -0.378 119.993 120.400 -0.049 0.000 2.104 281 D HA -0.150 4.488 4.640 -0.003 0.000 0.194 281 D C 1.853 178.077 176.300 -0.128 0.000 0.994 281 D CA 1.385 55.345 54.000 -0.067 0.000 0.830 281 D CB -0.567 40.215 40.800 -0.030 0.000 0.959 281 D HN 0.315 nan 8.370 nan 0.000 0.452 282 L N 0.227 121.354 121.223 -0.160 0.000 2.021 282 L HA -0.187 4.151 4.340 -0.003 0.000 0.215 282 L C 2.031 178.736 176.870 -0.275 0.000 1.074 282 L CA 1.559 56.267 54.840 -0.221 0.000 0.760 282 L CB -0.523 41.387 42.059 -0.249 0.000 0.889 282 L HN 0.008 nan 8.230 nan 0.000 0.433 283 L N -1.019 119.989 121.223 -0.359 0.000 2.240 283 L HA -0.063 4.275 4.340 -0.003 0.000 0.211 283 L C 2.530 179.292 176.870 -0.181 0.000 1.106 283 L CA 1.370 56.017 54.840 -0.321 0.000 0.793 283 L CB -0.473 41.320 42.059 -0.444 0.000 0.927 283 L HN 0.431 nan 8.230 nan 0.000 0.446 284 S N -1.713 113.898 115.700 -0.147 0.000 2.406 284 S HA -0.143 4.325 4.470 -0.003 0.000 0.228 284 S C 1.997 176.537 174.600 -0.099 0.000 1.020 284 S CA 0.920 59.062 58.200 -0.097 0.000 0.965 284 S CB -0.751 62.406 63.200 -0.071 0.000 0.798 284 S HN 0.522 nan 8.310 nan 0.000 0.488 285 S N 1.859 117.483 115.700 -0.127 0.000 2.547 285 S HA 0.071 4.539 4.470 -0.003 0.000 0.235 285 S C 0.744 175.265 174.600 -0.132 0.000 0.980 285 S CA 0.364 58.483 58.200 -0.136 0.000 0.941 285 S CB -0.762 62.330 63.200 -0.181 0.000 0.763 285 S HN 0.613 nan 8.310 nan 0.000 0.532 286 L N -0.342 120.808 121.223 -0.123 0.000 2.980 286 L HA 0.452 4.790 4.340 -0.003 0.000 0.314 286 L C 0.957 177.781 176.870 -0.076 0.000 1.303 286 L CA -0.534 54.246 54.840 -0.100 0.000 0.785 286 L CB -0.383 41.612 42.059 -0.108 0.000 1.190 286 L HN 0.187 nan 8.230 nan 0.000 0.567 287 Q N -1.531 118.231 119.800 -0.063 0.000 2.389 287 Q HA -0.015 4.324 4.340 -0.003 0.000 0.204 287 Q C 0.302 176.285 176.000 -0.029 0.000 0.944 287 Q CA 1.068 56.846 55.803 -0.042 0.000 0.908 287 Q CB 0.110 28.828 28.738 -0.034 0.000 1.002 287 Q HN 0.520 nan 8.270 nan 0.000 0.493 288 D N 1.494 121.877 120.400 -0.030 0.000 2.162 288 D HA -0.092 4.546 4.640 -0.003 0.000 0.203 288 D C 1.807 178.098 176.300 -0.015 0.000 0.967 288 D CA 0.974 54.963 54.000 -0.018 0.000 0.840 288 D CB 0.091 40.881 40.800 -0.017 0.000 0.972 288 D HN 0.462 nan 8.370 nan 0.000 0.482 289 Q N 0.042 119.827 119.800 -0.024 0.000 2.187 289 Q HA 0.088 4.427 4.340 -0.003 0.000 0.199 289 Q C 0.719 176.702 176.000 -0.028 0.000 0.957 289 Q CA 0.377 56.172 55.803 -0.013 0.000 0.857 289 Q CB 0.470 29.201 28.738 -0.012 0.000 0.929 289 Q HN 0.231 nan 8.270 nan 0.000 0.453 290 L N 2.394 123.572 121.223 -0.075 0.000 2.350 290 L HA 0.297 4.635 4.340 -0.003 0.000 0.275 290 L C -2.075 174.751 176.870 -0.072 0.000 1.099 290 L CA -2.177 52.562 54.840 -0.169 0.000 0.808 290 L CB 0.271 42.220 42.059 -0.184 0.000 1.149 290 L HN -0.059 nan 8.230 nan 0.000 0.442 291 P HA 0.074 nan 4.420 nan 0.000 0.274 291 P C 0.410 177.739 177.300 0.048 0.000 1.246 291 P CA -0.524 62.604 63.100 0.047 0.000 0.795 291 P CB 0.635 32.419 31.700 0.141 0.000 1.006 292 S N -1.064 114.657 115.700 0.036 0.000 2.507 292 S HA -0.116 4.352 4.470 -0.003 0.000 0.235 292 S C 1.466 176.055 174.600 -0.019 0.000 0.988 292 S CA 1.054 59.264 58.200 0.016 0.000 0.944 292 S CB -1.292 61.915 63.200 0.012 0.000 0.762 292 S HN 0.499 nan 8.310 nan 0.000 0.526 293 S N -0.520 115.153 115.700 -0.044 0.000 2.562 293 S HA 0.154 4.622 4.470 -0.003 0.000 0.221 293 S C -0.124 174.167 174.600 -0.515 0.000 0.975 293 S CA -0.323 57.738 58.200 -0.231 0.000 0.918 293 S CB -0.647 62.403 63.200 -0.249 0.000 0.772 293 S HN 0.613 nan 8.310 nan 0.000 0.531 294 Y N 1.567 121.748 120.300 -0.198 0.000 2.787 294 Y HA 0.489 5.037 4.550 -0.003 0.000 0.352 294 Y C 1.018 176.871 175.900 -0.079 0.000 1.027 294 Y CA -0.709 57.141 58.100 -0.416 0.000 1.219 294 Y CB 0.818 38.837 38.460 -0.735 0.000 1.110 294 Y HN 0.169 nan 8.280 nan 0.000 0.614 295 Q N 0.980 120.888 119.800 0.179 0.000 2.577 295 Q HA 0.132 4.470 4.340 -0.003 0.000 0.242 295 Q C 0.198 176.483 176.000 0.475 0.000 0.818 295 Q CA -0.093 55.885 55.803 0.292 0.000 0.962 295 Q CB 0.918 29.742 28.738 0.143 0.000 1.272 295 Q HN 0.429 nan 8.270 nan 0.000 0.593 296 K N 0.649 121.291 120.400 0.404 0.000 2.123 296 K HA 0.354 4.672 4.320 -0.003 0.000 0.248 296 K C -2.450 174.458 176.600 0.515 0.000 0.969 296 K CA -1.836 54.683 56.287 0.386 0.000 0.882 296 K CB 1.715 34.326 32.500 0.186 0.000 1.080 296 K HN -0.315 nan 8.250 nan 0.000 0.441 297 P HA -0.222 nan 4.420 nan 0.000 0.216 297 P C 1.018 178.659 177.300 0.568 0.000 1.150 297 P CA 1.894 65.180 63.100 0.309 0.000 0.843 297 P CB -0.005 31.580 31.700 -0.192 0.000 0.787 298 A N -0.250 122.712 122.820 0.236 0.000 2.067 298 A HA -0.184 4.134 4.320 -0.003 0.000 0.219 298 A C 1.740 179.593 177.584 0.448 0.000 1.158 298 A CA 1.656 53.801 52.037 0.181 0.000 0.661 298 A CB -1.205 17.813 19.000 0.031 0.000 0.801 298 A HN 0.110 nan 8.150 nan 0.000 0.452 299 D N -0.969 119.631 120.400 0.333 0.000 2.310 299 D HA 0.022 4.660 4.640 -0.003 0.000 0.212 299 D C 0.050 176.406 176.300 0.094 0.000 0.965 299 D CA 0.658 54.688 54.000 0.050 0.000 0.879 299 D CB -0.120 40.532 40.800 -0.247 0.000 0.921 299 D HN 0.487 nan 8.370 nan 0.000 0.510 300 F N 0.797 121.045 119.950 0.497 0.000 2.440 300 F HA 0.266 4.791 4.527 -0.004 0.000 0.328 300 F C 0.959 177.061 175.800 0.503 0.000 1.070 300 F CA -1.122 57.157 58.000 0.465 0.000 1.011 300 F CB 1.014 40.148 39.000 0.223 0.000 1.226 300 F HN -0.393 nan 8.300 nan 0.000 0.491 301 D N 0.449 121.158 120.400 0.515 0.000 2.264 301 D HA 0.170 4.808 4.640 -0.003 0.000 0.249 301 D C -1.294 175.218 176.300 0.353 0.000 1.070 301 D CA 0.053 54.317 54.000 0.440 0.000 0.912 301 D CB 0.941 41.915 40.800 0.291 0.000 1.193 301 D HN 0.303 nan 8.370 nan 0.000 0.427 302 W N 0.824 122.281 121.300 0.261 0.000 2.475 302 W HA 0.533 5.191 4.660 -0.004 0.000 0.320 302 W C -0.364 176.239 176.519 0.140 0.000 1.022 302 W CA -0.850 56.613 57.345 0.197 0.000 1.240 302 W CB 1.352 30.923 29.460 0.184 0.000 1.328 302 W HN 0.323 nan 8.180 nan 0.000 0.439 303 A N 5.509 128.463 122.820 0.223 0.000 2.774 303 A HA 0.570 4.888 4.320 -0.003 0.000 0.326 303 A C -0.510 177.156 177.584 0.136 0.000 1.478 303 A CA -0.492 51.633 52.037 0.147 0.000 1.099 303 A CB -0.149 18.883 19.000 0.053 0.000 1.148 303 A HN 0.695 nan 8.150 nan 0.000 0.519 304 M N 2.655 122.350 119.600 0.159 0.000 2.300 304 M HA 0.240 4.718 4.480 -0.003 0.000 0.348 304 M C 0.207 176.499 176.300 -0.012 0.000 1.151 304 M CA -0.468 54.890 55.300 0.096 0.000 1.046 304 M CB 0.746 33.427 32.600 0.134 0.000 1.647 304 M HN 0.722 nan 8.290 nan 0.000 0.451 305 H N 6.372 125.321 119.070 -0.201 0.000 3.091 305 H HA 0.153 4.708 4.556 -0.003 0.000 0.289 305 H C -2.254 172.940 175.328 -0.223 0.000 0.995 305 H CA -1.068 54.839 56.048 -0.235 0.000 1.461 305 H CB 0.674 30.227 29.762 -0.349 0.000 1.510 305 H HN 0.406 nan 8.280 nan 0.000 0.546 306 P HA 0.095 nan 4.420 nan 0.000 0.238 306 P C 0.981 177.896 177.300 -0.643 0.000 1.794 306 P CA -0.104 62.647 63.100 -0.582 0.000 1.088 306 P CB 0.128 31.566 31.700 -0.437 0.000 1.923 307 G N 1.906 110.431 108.800 -0.458 0.000 2.422 307 G HA2 0.110 4.068 3.960 -0.003 0.000 0.218 307 G HA3 0.110 4.068 3.960 -0.003 0.000 0.218 307 G C 0.673 175.495 174.900 -0.131 0.000 1.146 307 G CA 0.667 45.685 45.100 -0.138 0.000 0.769 307 G HN 0.640 nan 8.290 nan 0.000 0.547 308 G N -2.831 105.819 108.800 -0.249 0.000 2.600 308 G HA2 0.559 4.518 3.960 -0.003 0.000 0.293 308 G HA3 0.559 4.518 3.960 -0.003 0.000 0.293 308 G C 0.640 175.244 174.900 -0.494 0.000 1.408 308 G CA 0.163 45.101 45.100 -0.270 0.000 0.782 308 G HN 0.517 nan 8.290 nan 0.000 0.482 309 A N -0.683 121.962 122.820 -0.291 0.000 1.902 309 A HA 0.027 4.346 4.320 -0.003 0.000 0.217 309 A C 2.502 180.004 177.584 -0.137 0.000 1.181 309 A CA 3.227 55.143 52.037 -0.201 0.000 0.623 309 A CB -1.153 17.881 19.000 0.057 0.000 0.818 309 A HN 1.537 nan 8.150 nan 0.000 0.443 310 T N -2.544 111.962 114.554 -0.079 0.000 3.055 310 T HA 0.025 4.373 4.350 -0.003 0.000 0.265 310 T C 1.612 176.268 174.700 -0.073 0.000 1.111 310 T CA 0.924 62.993 62.100 -0.053 0.000 1.118 310 T CB -0.243 68.608 68.868 -0.028 0.000 0.909 310 T HN 0.159 nan 8.240 nan 0.000 0.501 311 I N 1.363 121.878 120.570 -0.090 0.000 2.286 311 I HA 0.073 4.241 4.170 -0.003 0.000 0.245 311 I C 2.352 178.432 176.117 -0.061 0.000 1.104 311 I CA 0.609 61.887 61.300 -0.037 0.000 1.397 311 I CB -1.075 36.972 38.000 0.080 0.000 1.072 311 I HN 0.323 nan 8.210 nan 0.000 0.417 312 L N 0.278 121.397 121.223 -0.172 0.000 2.095 312 L HA -0.141 4.197 4.340 -0.003 0.000 0.204 312 L C 2.659 179.488 176.870 -0.068 0.000 1.080 312 L CA 1.426 56.151 54.840 -0.192 0.000 0.759 312 L CB -0.614 41.144 42.059 -0.501 0.000 0.914 312 L HN 0.271 nan 8.230 nan 0.000 0.439 313 S N -0.211 115.467 115.700 -0.036 0.000 2.406 313 S HA -0.076 4.393 4.470 -0.003 0.000 0.228 313 S C 2.053 176.625 174.600 -0.047 0.000 1.020 313 S CA 0.818 59.017 58.200 -0.002 0.000 0.965 313 S CB -0.808 62.401 63.200 0.014 0.000 0.798 313 S HN 0.400 nan 8.310 nan 0.000 0.488 314 G N 1.474 110.235 108.800 -0.064 0.000 2.402 314 G HA2 0.112 4.070 3.960 -0.003 0.000 0.216 314 G HA3 0.112 4.070 3.960 -0.003 0.000 0.216 314 G C 1.664 176.501 174.900 -0.105 0.000 1.162 314 G CA 0.715 45.766 45.100 -0.081 0.000 0.777 314 G HN 0.755 nan 8.290 nan 0.000 0.539 315 A N 1.002 123.757 122.820 -0.109 0.000 1.873 315 A HA 0.002 4.320 4.320 -0.003 0.000 0.215 315 A C 2.131 179.563 177.584 -0.253 0.000 1.186 315 A CA 1.932 53.862 52.037 -0.177 0.000 0.616 315 A CB -0.439 18.469 19.000 -0.153 0.000 0.823 315 A HN 0.424 nan 8.150 nan 0.000 0.442 316 E N -0.543 119.547 120.200 -0.183 0.000 2.097 316 E HA -0.177 4.171 4.350 -0.003 0.000 0.196 316 E C 2.289 178.788 176.600 -0.169 0.000 1.000 316 E CA 1.449 57.743 56.400 -0.177 0.000 0.804 316 E CB -0.168 29.491 29.700 -0.069 0.000 0.740 316 E HN 0.595 nan 8.360 nan 0.000 0.454 317 S N -0.212 115.411 115.700 -0.128 0.000 2.357 317 S HA -0.064 4.404 4.470 -0.003 0.000 0.221 317 S C 2.039 176.565 174.600 -0.123 0.000 1.031 317 S CA 0.986 59.122 58.200 -0.106 0.000 0.982 317 S CB -0.113 63.040 63.200 -0.079 0.000 0.853 317 S HN 0.322 nan 8.310 nan 0.000 0.458 318 A N 0.999 123.735 122.820 -0.140 0.000 1.969 318 A HA 0.133 4.451 4.320 -0.003 0.000 0.218 318 A C 1.950 179.432 177.584 -0.169 0.000 1.169 318 A CA 1.259 53.215 52.037 -0.134 0.000 0.635 318 A CB -0.273 18.652 19.000 -0.126 0.000 0.810 318 A HN 0.562 nan 8.150 nan 0.000 0.445 319 M N -1.811 117.637 119.600 -0.254 0.000 2.313 319 M HA 0.225 4.703 4.480 -0.003 0.000 0.273 319 M C 1.121 177.234 176.300 -0.311 0.000 1.049 319 M CA 0.691 55.790 55.300 -0.334 0.000 1.004 319 M CB -0.296 31.960 32.600 -0.573 0.000 1.461 319 M HN 0.749 nan 8.290 nan 0.000 0.514 320 G N 2.353 111.001 108.800 -0.254 0.000 2.256 320 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.272 320 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.272 320 G C -0.282 174.443 174.900 -0.292 0.000 1.076 320 G CA -0.040 44.935 45.100 -0.209 0.000 0.882 320 G HN 0.414 nan 8.290 nan 0.000 0.497 321 L N 0.011 121.016 121.223 -0.362 0.000 2.332 321 L HA 0.812 5.150 4.340 -0.003 0.000 0.269 321 L C 1.212 177.945 176.870 -0.228 0.000 1.016 321 L CA -0.591 53.940 54.840 -0.516 0.000 0.809 321 L CB 1.720 43.416 42.059 -0.604 0.000 1.280 321 L HN 0.382 nan 8.230 nan 0.000 0.447 322 T N -3.152 111.376 114.554 -0.043 0.000 2.912 322 T HA 0.344 4.692 4.350 -0.003 0.000 0.280 322 T C -2.103 172.696 174.700 0.164 0.000 0.989 322 T CA -1.868 60.311 62.100 0.132 0.000 0.995 322 T CB 1.635 70.638 68.868 0.224 0.000 1.077 322 T HN 0.297 nan 8.240 nan 0.000 0.531 323 P HA -0.043 nan 4.420 nan 0.000 0.218 323 P C 1.079 178.447 177.300 0.113 0.000 1.148 323 P CA 0.965 64.097 63.100 0.054 0.000 0.822 323 P CB 0.014 31.544 31.700 -0.283 0.000 0.784 324 E N -1.906 118.346 120.200 0.087 0.000 2.268 324 E HA -0.178 4.170 4.350 -0.003 0.000 0.195 324 E C 1.740 178.411 176.600 0.118 0.000 0.995 324 E CA 0.936 57.382 56.400 0.076 0.000 0.836 324 E CB -0.919 28.790 29.700 0.015 0.000 0.763 324 E HN 0.458 nan 8.360 nan 0.000 0.491 325 H N -0.753 118.401 119.070 0.140 0.000 2.421 325 H HA 0.026 4.580 4.556 -0.003 0.000 0.298 325 H C 0.807 176.302 175.328 0.279 0.000 1.087 325 H CA 1.212 57.389 56.048 0.215 0.000 1.330 325 H CB 0.057 29.920 29.762 0.169 0.000 1.388 325 H HN 0.103 nan 8.280 nan 0.000 0.526 326 M N 1.035 120.859 119.600 0.373 0.000 2.869 326 M HA 0.147 4.625 4.480 -0.003 0.000 0.338 326 M C 1.280 177.801 176.300 0.367 0.000 1.227 326 M CA -0.169 55.339 55.300 0.346 0.000 0.946 326 M CB 0.579 33.341 32.600 0.271 0.000 1.299 326 M HN 0.280 nan 8.290 nan 0.000 0.518 327 R N 0.243 120.917 120.500 0.290 0.000 2.105 327 R HA -0.089 4.249 4.340 -0.003 0.000 0.239 327 R C 1.756 178.203 176.300 0.244 0.000 1.135 327 R CA 1.855 58.102 56.100 0.245 0.000 0.967 327 R CB -0.664 29.724 30.300 0.146 0.000 0.861 327 R HN 0.368 nan 8.270 nan 0.000 0.442 328 A N 1.113 124.062 122.820 0.215 0.000 1.970 328 A HA 0.009 4.328 4.320 -0.003 0.000 0.216 328 A C 2.209 179.905 177.584 0.185 0.000 1.170 328 A CA 1.172 53.324 52.037 0.190 0.000 0.645 328 A CB -0.228 18.878 19.000 0.176 0.000 0.816 328 A HN 0.406 nan 8.150 nan 0.000 0.447 329 S N -1.003 114.797 115.700 0.167 0.000 2.356 329 S HA -0.170 4.298 4.470 -0.003 0.000 0.223 329 S C 1.797 176.441 174.600 0.074 0.000 1.032 329 S CA 1.586 59.832 58.200 0.076 0.000 1.005 329 S CB -0.620 62.572 63.200 -0.013 0.000 0.867 329 S HN 0.666 nan 8.310 nan 0.000 0.449 330 Y N 1.619 121.986 120.300 0.112 0.000 2.128 330 Y HA -0.218 4.330 4.550 -0.004 0.000 0.284 330 Y C 2.494 178.486 175.900 0.153 0.000 1.154 330 Y CA 1.615 59.796 58.100 0.135 0.000 1.149 330 Y CB -0.507 38.013 38.460 0.100 0.000 0.976 330 Y HN 0.298 nan 8.280 nan 0.000 0.505 331 D N -0.602 119.970 120.400 0.287 0.000 2.133 331 D HA -0.210 4.428 4.640 -0.003 0.000 0.195 331 D C 2.138 178.557 176.300 0.199 0.000 0.997 331 D CA 1.375 55.496 54.000 0.202 0.000 0.840 331 D CB 0.121 41.026 40.800 0.176 0.000 0.947 331 D HN -0.041 nan 8.370 nan 0.000 0.452 332 R N -0.772 119.865 120.500 0.230 0.000 2.062 332 R HA -0.089 4.249 4.340 -0.003 0.000 0.231 332 R C 2.100 178.537 176.300 0.228 0.000 1.136 332 R CA 1.266 57.529 56.100 0.271 0.000 0.948 332 R CB -1.444 29.001 30.300 0.242 0.000 0.845 332 R HN 0.373 nan 8.270 nan 0.000 0.430 333 Y N 1.003 121.337 120.300 0.056 0.000 2.081 333 Y HA -0.222 4.327 4.550 -0.001 0.000 0.280 333 Y C 1.957 177.859 175.900 0.002 0.000 1.163 333 Y CA 1.765 59.862 58.100 -0.006 0.000 1.135 333 Y CB -0.404 38.001 38.460 -0.091 0.000 0.970 333 Y HN -0.011 nan 8.280 nan 0.000 0.498 334 I N 0.097 120.679 120.570 0.020 0.000 2.179 334 I HA -0.355 3.813 4.170 -0.003 0.000 0.242 334 I C 1.519 177.538 176.117 -0.164 0.000 1.088 334 I CA 2.198 63.456 61.300 -0.069 0.000 1.357 334 I CB -0.460 37.583 38.000 0.072 0.000 1.051 334 I HN 0.297 nan 8.210 nan 0.000 0.409 335 N N -1.466 117.128 118.700 -0.177 0.000 2.392 335 N HA -0.004 4.734 4.740 -0.003 0.000 0.177 335 N C 1.236 176.309 175.510 -0.729 0.000 1.066 335 N CA 0.543 53.346 53.050 -0.412 0.000 0.895 335 N CB 0.320 38.544 38.487 -0.438 0.000 0.988 335 N HN 0.359 nan 8.380 nan 0.000 0.457 336 H N -1.471 117.485 119.070 -0.190 0.000 3.771 336 H HA 0.278 4.833 4.556 -0.001 0.000 0.260 336 H C 1.136 176.407 175.328 -0.094 0.000 1.158 336 H CA 0.545 56.459 56.048 -0.223 0.000 1.170 336 H CB 0.958 30.462 29.762 -0.431 0.000 1.539 336 H HN 0.170 nan 8.280 nan 0.000 0.634 337 G N 2.118 110.881 108.800 -0.062 0.000 2.693 337 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.226 337 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.226 337 G C -0.290 174.644 174.900 0.057 0.000 1.354 337 G CA -0.224 44.800 45.100 -0.128 0.000 0.873 337 G HN 0.357 nan 8.290 nan 0.000 0.562 338 N N 0.477 119.215 118.700 0.064 0.000 2.437 338 N HA 0.473 5.212 4.740 -0.003 0.000 0.243 338 N C 0.523 176.215 175.510 0.305 0.000 1.041 338 N CA 0.310 53.459 53.050 0.166 0.000 0.940 338 N CB 0.680 39.186 38.487 0.031 0.000 1.133 338 N HN 0.501 nan 8.380 nan 0.000 0.506 339 S N 1.702 117.579 115.700 0.296 0.000 2.582 339 S HA 0.080 4.548 4.470 -0.003 0.000 0.249 339 S C 0.843 175.562 174.600 0.199 0.000 1.072 339 S CA -0.238 58.108 58.200 0.244 0.000 1.115 339 S CB -0.590 62.718 63.200 0.181 0.000 0.790 339 S HN 0.736 nan 8.310 nan 0.000 0.459 340 S N 2.545 118.437 115.700 0.321 0.000 4.046 340 S HA -0.337 4.131 4.470 -0.003 0.000 0.572 340 S C 1.946 176.507 174.600 -0.065 0.000 2.022 340 S CA 2.134 60.420 58.200 0.143 0.000 4.201 340 S CB -1.632 61.546 63.200 -0.037 0.000 0.438 340 S HN 0.925 nan 8.310 nan 0.000 0.618 341 S N 1.378 116.978 115.700 -0.167 0.000 2.481 341 S HA 0.279 4.747 4.470 -0.003 0.000 0.231 341 S C 1.787 176.218 174.600 -0.282 0.000 0.996 341 S CA 1.319 59.359 58.200 -0.266 0.000 0.942 341 S CB -0.589 62.477 63.200 -0.222 0.000 0.768 341 S HN 1.402 nan 8.310 nan 0.000 0.520 342 A N 1.395 124.112 122.820 -0.172 0.000 2.169 342 A HA 0.149 4.468 4.320 -0.003 0.000 0.212 342 A C 2.171 179.672 177.584 -0.139 0.000 1.153 342 A CA 1.161 53.095 52.037 -0.172 0.000 0.756 342 A CB -1.042 17.881 19.000 -0.129 0.000 0.813 342 A HN 0.553 nan 8.150 nan 0.000 0.471 343 T N 0.168 114.697 114.554 -0.042 0.000 2.777 343 T HA -0.115 4.233 4.350 -0.003 0.000 0.266 343 T C 1.778 176.501 174.700 0.039 0.000 1.040 343 T CA 1.419 63.567 62.100 0.080 0.000 1.141 343 T CB -0.298 68.722 68.868 0.253 0.000 0.868 343 T HN 0.370 nan 8.240 nan 0.000 0.444 344 I N 0.823 121.347 120.570 -0.078 0.000 2.226 344 I HA -0.129 4.040 4.170 -0.003 0.000 0.245 344 I C 1.555 177.686 176.117 0.024 0.000 1.100 344 I CA 1.347 62.596 61.300 -0.085 0.000 1.374 344 I CB -0.330 37.544 38.000 -0.210 0.000 1.057 344 I HN 0.085 nan 8.210 nan 0.000 0.413 345 F N -0.413 119.524 119.950 -0.022 0.000 2.259 345 F HA -0.066 4.459 4.527 -0.004 0.000 0.298 345 F C 2.874 178.672 175.800 -0.003 0.000 1.088 345 F CA 1.146 59.130 58.000 -0.027 0.000 1.358 345 F CB -1.693 37.282 39.000 -0.041 0.000 1.040 345 F HN 0.089 nan 8.300 nan 0.000 0.505 346 S N 0.169 115.960 115.700 0.153 0.000 2.356 346 S HA -0.130 4.338 4.470 -0.003 0.000 0.223 346 S C 2.319 177.011 174.600 0.154 0.000 1.032 346 S CA 1.422 59.691 58.200 0.115 0.000 1.005 346 S CB -0.529 62.718 63.200 0.078 0.000 0.867 346 S HN 0.079 nan 8.310 nan 0.000 0.449 347 V N 2.278 122.280 119.914 0.146 0.000 2.255 347 V HA -0.186 3.932 4.120 -0.003 0.000 0.247 347 V C 2.452 178.636 176.094 0.151 0.000 1.051 347 V CA 2.022 64.409 62.300 0.145 0.000 1.018 347 V CB -0.755 31.139 31.823 0.119 0.000 0.641 347 V HN 0.480 nan 8.190 nan 0.000 0.445 348 L N 0.143 121.451 121.223 0.142 0.000 2.079 348 L HA -0.221 4.118 4.340 -0.003 0.000 0.210 348 L C 2.463 179.477 176.870 0.241 0.000 1.081 348 L CA 2.077 56.998 54.840 0.134 0.000 0.752 348 L CB -0.665 41.414 42.059 0.034 0.000 0.896 348 L HN 0.452 nan 8.230 nan 0.000 0.433 349 N N 0.243 119.062 118.700 0.198 0.000 2.106 349 N HA -0.222 4.516 4.740 -0.003 0.000 0.188 349 N C 1.921 177.522 175.510 0.152 0.000 1.029 349 N CA 1.128 54.280 53.050 0.169 0.000 0.848 349 N CB -0.024 38.538 38.487 0.125 0.000 1.007 349 N HN -0.015 nan 8.380 nan 0.000 0.423 350 R N 0.317 120.909 120.500 0.154 0.000 2.091 350 R HA -0.024 4.314 4.340 -0.003 0.000 0.238 350 R C 1.964 178.350 176.300 0.143 0.000 1.136 350 R CA 0.948 57.135 56.100 0.145 0.000 0.959 350 R CB -1.113 29.282 30.300 0.158 0.000 0.856 350 R HN 0.364 nan 8.270 nan 0.000 0.437 351 L N 1.103 122.428 121.223 0.169 0.000 2.127 351 L HA -0.128 4.210 4.340 -0.003 0.000 0.211 351 L C 1.544 178.502 176.870 0.147 0.000 1.089 351 L CA 1.945 56.889 54.840 0.174 0.000 0.757 351 L CB -0.366 41.822 42.059 0.216 0.000 0.899 351 L HN 0.281 nan 8.230 nan 0.000 0.434 352 R N -0.560 120.022 120.500 0.137 0.000 2.334 352 R HA 0.220 4.558 4.340 -0.003 0.000 0.220 352 R C 0.210 176.532 176.300 0.037 0.000 0.917 352 R CA -0.018 56.117 56.100 0.059 0.000 1.073 352 R CB -1.031 29.255 30.300 -0.024 0.000 1.056 352 R HN 0.366 nan 8.270 nan 0.000 0.506 353 E N 1.299 121.535 120.200 0.060 0.000 2.349 353 E HA 0.141 4.489 4.350 -0.003 0.000 0.265 353 E C 0.159 176.785 176.600 0.042 0.000 1.064 353 E CA -0.706 55.722 56.400 0.048 0.000 0.886 353 E CB 0.848 30.585 29.700 0.062 0.000 1.036 353 E HN -0.049 nan 8.360 nan 0.000 0.413 354 K N 1.716 122.135 120.400 0.031 0.000 2.063 354 K HA -0.174 4.144 4.320 -0.003 0.000 0.208 354 K C 1.338 177.957 176.600 0.032 0.000 1.048 354 K CA 1.753 58.056 56.287 0.026 0.000 0.928 354 K CB -0.256 32.255 32.500 0.019 0.000 0.713 354 K HN 0.587 nan 8.250 nan 0.000 0.442 355 D N -0.176 120.246 120.400 0.038 0.000 2.312 355 D HA -0.113 4.525 4.640 -0.003 0.000 0.211 355 D C 1.642 177.970 176.300 0.047 0.000 0.964 355 D CA 0.643 54.666 54.000 0.039 0.000 0.877 355 D CB -0.074 40.749 40.800 0.038 0.000 0.924 355 D HN -0.005 nan 8.370 nan 0.000 0.515 356 M N 0.701 120.337 119.600 0.059 0.000 2.288 356 M HA -0.023 4.455 4.480 -0.003 0.000 0.266 356 M C 0.933 177.268 176.300 0.059 0.000 1.072 356 M CA 0.839 56.181 55.300 0.070 0.000 1.132 356 M CB -0.461 32.195 32.600 0.093 0.000 1.386 356 M HN -0.049 nan 8.290 nan 0.000 0.432 357 D N 1.017 121.446 120.400 0.049 0.000 2.133 357 D HA -0.116 4.522 4.640 -0.003 0.000 0.195 357 D C 1.865 178.183 176.300 0.030 0.000 0.997 357 D CA 1.664 55.688 54.000 0.039 0.000 0.840 357 D CB -0.141 40.676 40.800 0.029 0.000 0.947 357 D HN 0.332 nan 8.370 nan 0.000 0.452 358 A N -0.129 122.707 122.820 0.027 0.000 2.121 358 A HA -0.029 4.289 4.320 -0.003 0.000 0.218 358 A C 1.997 179.591 177.584 0.017 0.000 1.154 358 A CA 0.628 52.676 52.037 0.020 0.000 0.679 358 A CB -0.353 18.658 19.000 0.018 0.000 0.795 358 A HN 0.251 nan 8.150 nan 0.000 0.458 359 L N -0.626 120.612 121.223 0.024 0.000 2.667 359 L HA 0.286 4.624 4.340 -0.003 0.000 0.232 359 L C 1.115 177.992 176.870 0.013 0.000 1.138 359 L CA -0.276 54.576 54.840 0.019 0.000 0.921 359 L CB -0.067 42.009 42.059 0.029 0.000 1.180 359 L HN 0.322 nan 8.230 nan 0.000 0.487 360 A N 0.964 123.791 122.820 0.011 0.000 2.498 360 A HA 0.308 4.626 4.320 -0.003 0.000 0.239 360 A C -2.181 175.378 177.584 -0.041 0.000 1.068 360 A CA -0.877 51.156 52.037 -0.007 0.000 0.766 360 A CB -0.478 18.528 19.000 0.009 0.000 1.003 360 A HN -0.032 nan 8.150 nan 0.000 0.497 361 P HA 0.220 nan 4.420 nan 0.000 0.261 361 P C 0.944 178.211 177.300 -0.056 0.000 1.203 361 P CA 1.878 64.903 63.100 -0.125 0.000 0.767 361 P CB 0.352 31.830 31.700 -0.370 0.000 0.785 362 G N 3.471 112.259 108.800 -0.021 0.000 2.148 362 G HA2 -0.153 3.805 3.960 -0.003 0.000 0.254 362 G HA3 -0.153 3.805 3.960 -0.003 0.000 0.254 362 G C 0.857 175.754 174.900 -0.005 0.000 0.981 362 G CA 0.362 45.458 45.100 -0.007 0.000 0.670 362 G HN 1.003 nan 8.290 nan 0.000 0.528 363 G N -1.289 107.507 108.800 -0.006 0.000 2.143 363 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.248 363 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.248 363 G C 0.222 175.124 174.900 0.004 0.000 0.991 363 G CA 0.928 46.029 45.100 0.001 0.000 0.689 363 G HN 1.012 nan 8.290 nan 0.000 0.522 364 K N 1.125 121.525 120.400 -0.000 0.000 2.354 364 K HA 0.474 4.793 4.320 -0.003 0.000 0.257 364 K C 0.448 177.063 176.600 0.025 0.000 1.062 364 K CA -0.573 55.721 56.287 0.010 0.000 0.971 364 K CB 1.731 34.232 32.500 0.001 0.000 1.305 364 K HN 0.141 nan 8.250 nan 0.000 0.449 365 V N 4.246 124.183 119.914 0.039 0.000 2.485 365 V HA -0.013 4.105 4.120 -0.003 0.000 0.287 365 V C 0.740 176.894 176.094 0.100 0.000 1.022 365 V CA 0.005 62.341 62.300 0.061 0.000 1.067 365 V CB 0.014 31.865 31.823 0.047 0.000 0.967 365 V HN 0.351 nan 8.190 nan 0.000 0.479 366 K N 3.917 124.403 120.400 0.143 0.000 2.174 366 K HA 0.258 4.576 4.320 -0.003 0.000 0.275 366 K C 0.961 177.665 176.600 0.172 0.000 1.015 366 K CA -0.299 56.134 56.287 0.243 0.000 0.933 366 K CB 1.287 33.987 32.500 0.334 0.000 1.025 366 K HN 0.707 nan 8.250 nan 0.000 0.463 367 E N 1.094 121.387 120.200 0.154 0.000 2.285 367 E HA -0.050 4.298 4.350 -0.003 0.000 0.194 367 E C -0.520 175.801 176.600 -0.464 0.000 0.997 367 E CA 0.749 57.035 56.400 -0.190 0.000 0.845 367 E CB 0.326 29.865 29.700 -0.269 0.000 0.782 367 E HN 0.411 nan 8.360 nan 0.000 0.491 368 Y N -0.866 119.296 120.300 -0.230 0.000 2.446 368 Y HA 0.448 4.996 4.550 -0.003 0.000 0.345 368 Y C -0.674 175.348 175.900 0.203 0.000 0.984 368 Y CA -1.117 56.931 58.100 -0.087 0.000 1.058 368 Y CB 2.063 40.351 38.460 -0.287 0.000 1.220 368 Y HN -0.350 nan 8.280 nan 0.000 0.455 369 V N 3.843 123.943 119.914 0.310 0.000 2.483 369 V HA 0.364 4.482 4.120 -0.003 0.000 0.297 369 V C -0.768 175.306 176.094 -0.034 0.000 1.027 369 V CA -0.971 61.423 62.300 0.157 0.000 0.855 369 V CB 1.766 33.652 31.823 0.105 0.000 0.995 369 V HN 0.523 nan 8.190 nan 0.000 0.424 370 V N 4.259 123.987 119.914 -0.309 0.000 2.385 370 V HA 0.590 4.708 4.120 -0.003 0.000 0.269 370 V C 0.942 176.835 176.094 -0.335 0.000 1.043 370 V CA -0.065 61.908 62.300 -0.545 0.000 0.906 370 V CB 1.354 32.404 31.823 -1.288 0.000 0.995 370 V HN 0.963 nan 8.190 nan 0.000 0.467 371 G N 3.075 111.771 108.800 -0.173 0.000 2.377 371 G HA2 0.502 4.460 3.960 -0.003 0.000 0.299 371 G HA3 0.502 4.460 3.960 -0.003 0.000 0.299 371 G C -0.801 174.084 174.900 -0.025 0.000 1.150 371 G CA -0.280 44.779 45.100 -0.069 0.000 0.847 371 G HN 0.844 nan 8.290 nan 0.000 0.501 372 C N 1.232 120.547 119.300 0.026 0.000 2.782 372 C HA 0.912 5.370 4.460 -0.003 0.000 0.328 372 C C -0.140 174.770 174.990 -0.133 0.000 1.145 372 C CA 0.332 59.376 59.018 0.043 0.000 1.358 372 C CB 0.452 28.337 27.740 0.243 0.000 1.841 372 C HN 1.345 nan 8.230 nan 0.000 0.477 373 A N 3.590 126.276 122.820 -0.223 0.000 2.606 373 A HA 0.971 5.289 4.320 -0.003 0.000 0.293 373 A C -1.636 175.718 177.584 -0.384 0.000 1.082 373 A CA -0.439 51.297 52.037 -0.501 0.000 0.685 373 A CB 0.986 19.777 19.000 -0.348 0.000 1.284 373 A HN 1.030 nan 8.150 nan 0.000 0.408 374 F N -0.397 119.567 119.950 0.024 0.000 2.588 374 F HA 0.899 5.424 4.527 -0.003 0.000 0.310 374 F C 0.546 176.334 175.800 -0.020 0.000 1.082 374 F CA -0.500 57.506 58.000 0.011 0.000 0.929 374 F CB 1.884 40.907 39.000 0.037 0.000 1.254 374 F HN 0.990 nan 8.300 nan 0.000 0.455 375 G N -0.128 108.759 108.800 0.145 0.000 2.721 375 G HA2 0.675 4.633 3.960 -0.003 0.000 0.296 375 G HA3 0.675 4.633 3.960 -0.003 0.000 0.296 375 G C -3.435 171.491 174.900 0.043 0.000 1.383 375 G CA -2.100 43.031 45.100 0.052 0.000 0.788 375 G HN 0.317 nan 8.290 nan 0.000 0.500 376 P HA 0.272 nan 4.420 nan 0.000 0.263 376 P C 0.797 178.093 177.300 -0.007 0.000 1.175 376 P CA 1.869 64.963 63.100 -0.009 0.000 0.761 376 P CB 1.102 32.778 31.700 -0.040 0.000 0.794 377 G N 2.804 111.602 108.800 -0.003 0.000 4.278 377 G HA2 -0.103 3.855 3.960 -0.003 0.000 0.160 377 G HA3 -0.103 3.855 3.960 -0.003 0.000 0.160 377 G C -0.255 174.643 174.900 -0.004 0.000 2.002 377 G CA -0.475 44.626 45.100 0.002 0.000 1.013 377 G HN 0.445 nan 8.290 nan 0.000 0.315 378 I N 3.120 123.683 120.570 -0.012 0.000 2.517 378 I HA 0.212 4.380 4.170 -0.003 0.000 0.285 378 I C -0.418 175.716 176.117 0.028 0.000 1.106 378 I CA -0.424 60.879 61.300 0.006 0.000 1.402 378 I CB 0.668 38.663 38.000 -0.009 0.000 1.399 378 I HN 0.131 nan 8.210 nan 0.000 0.535 379 N N 5.745 124.470 118.700 0.041 0.000 2.499 379 N HA 0.407 5.145 4.740 -0.003 0.000 0.281 379 N C -0.773 174.795 175.510 0.097 0.000 1.098 379 N CA -0.315 52.765 53.050 0.050 0.000 0.979 379 N CB 1.923 40.424 38.487 0.024 0.000 1.121 379 N HN 0.194 nan 8.380 nan 0.000 0.466 380 V N 1.939 121.915 119.914 0.103 0.000 2.555 380 V HA 0.387 4.505 4.120 -0.003 0.000 0.302 380 V C -0.302 175.860 176.094 0.114 0.000 1.038 380 V CA -0.668 61.729 62.300 0.161 0.000 0.887 380 V CB 1.851 33.774 31.823 0.166 0.000 0.991 380 V HN 0.517 nan 8.190 nan 0.000 0.434 381 E N 4.522 124.785 120.200 0.104 0.000 2.248 381 E HA 0.639 4.987 4.350 -0.003 0.000 0.267 381 E C -1.002 175.642 176.600 0.074 0.000 0.877 381 E CA -0.570 55.868 56.400 0.064 0.000 0.759 381 E CB 3.021 32.721 29.700 0.001 0.000 1.182 381 E HN 0.593 nan 8.360 nan 0.000 0.418 382 M N 1.913 121.562 119.600 0.081 0.000 2.433 382 M HA 0.438 4.916 4.480 -0.003 0.000 0.290 382 M C -1.456 174.885 176.300 0.068 0.000 1.173 382 M CA -0.576 54.762 55.300 0.063 0.000 0.905 382 M CB 1.748 34.394 32.600 0.077 0.000 1.692 382 M HN 0.838 nan 8.290 nan 0.000 0.462 383 C N 2.286 121.601 119.300 0.024 0.000 2.994 383 C HA 0.913 5.371 4.460 -0.003 0.000 0.304 383 C C -0.852 174.120 174.990 -0.029 0.000 1.273 383 C CA -0.986 58.069 59.018 0.062 0.000 1.537 383 C CB 1.629 29.420 27.740 0.085 0.000 2.001 383 C HN 0.996 nan 8.230 nan 0.000 0.471 384 M N 2.819 122.421 119.600 0.003 0.000 2.227 384 M HA 0.772 5.250 4.480 -0.003 0.000 0.335 384 M C -1.413 174.924 176.300 0.062 0.000 1.053 384 M CA -0.788 54.501 55.300 -0.019 0.000 0.973 384 M CB 0.693 33.266 32.600 -0.046 0.000 1.623 384 M HN 0.798 nan 8.290 nan 0.000 0.434 385 L N 3.901 125.166 121.223 0.070 0.000 2.342 385 L HA 0.631 4.969 4.340 -0.003 0.000 0.271 385 L C -0.538 176.418 176.870 0.143 0.000 1.008 385 L CA -0.847 54.047 54.840 0.089 0.000 0.818 385 L CB 2.076 44.113 42.059 -0.036 0.000 1.296 385 L HN 0.627 nan 8.230 nan 0.000 0.427 386 K N 2.722 123.168 120.400 0.078 0.000 2.235 386 K HA 0.415 4.734 4.320 -0.003 0.000 0.266 386 K C -0.714 175.847 176.600 -0.066 0.000 0.980 386 K CA -0.732 55.440 56.287 -0.191 0.000 0.849 386 K CB 1.481 33.802 32.500 -0.299 0.000 1.098 386 K HN 0.526 nan 8.250 nan 0.000 0.445 387 R N 4.227 124.645 120.500 -0.137 0.000 2.254 387 R HA 0.198 4.536 4.340 -0.003 0.000 0.318 387 R C -0.063 176.104 176.300 -0.221 0.000 1.031 387 R CA -0.572 55.442 56.100 -0.144 0.000 0.905 387 R CB 0.659 30.916 30.300 -0.072 0.000 1.050 387 R HN 0.599 nan 8.270 nan 0.000 0.456 388 R N 0.000 120.360 120.500 -0.234 0.000 2.786 388 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 388 R CA 0.000 55.996 56.100 -0.174 0.000 0.921 388 R CB 0.000 30.208 30.300 -0.154 0.000 0.687 388 R HN 0.000 nan 8.270 nan 0.000 0.535