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 3m76_1_A DATA FIRST_RESID 8 DATA SEQUENCE PLPTGYFDIP LGLAALSLAW FHLENLFPAA RMVSDVLGIV ASAVWILFIL DATA SEQUENCE MYAYKLRYYF EEVRAEYHSP VRFSFIALIP ITTMLVGDIL YRWNPLIAEV DATA SEQUENCE LIWIGTIGQL LFSTLRVSEL WQGGVFEQKS THPSFYLPAV AANFTSASSL DATA SEQUENCE ALLGYHDLGY LFFGAGMIAW IIFEPVLLQH LRISSLEPQF RATMGIVLAP DATA SEQUENCE AFVCVSAYLS INHGEVDTLA KILWGYGFLQ LFFLLRLFPW IVEKGLNIGL DATA SEQUENCE WAFSFGLASM ANSATAFYHG NVLQGVSIFA FVFSNVMIGL LVLMTIYKLT DATA SEQUENCE KGQFFL 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.099 177.300 -0.336 0.000 1.155 8 P CA 0.000 62.824 63.100 -0.460 0.000 0.800 8 P CB 0.000 31.116 31.700 -0.973 0.000 0.726 9 L N 2.010 123.069 121.223 -0.273 0.000 2.516 9 L HA 0.260 4.602 4.340 0.002 0.000 0.288 9 L C -2.169 174.505 176.870 -0.327 0.000 1.246 9 L CA -0.902 53.748 54.840 -0.316 0.000 0.844 9 L CB -0.298 41.547 42.059 -0.357 0.000 1.106 9 L HN -0.023 nan 8.230 nan 0.000 0.509 10 P HA 0.184 nan 4.420 nan 0.000 0.271 10 P C 0.422 177.598 177.300 -0.207 0.000 1.216 10 P CA -0.118 62.743 63.100 -0.399 0.000 0.771 10 P CB 0.408 31.753 31.700 -0.592 0.000 0.864 11 T N 1.745 116.301 114.554 0.002 0.000 2.833 11 T HA -0.115 4.236 4.350 0.002 0.000 0.269 11 T C 1.996 176.831 174.700 0.225 0.000 1.054 11 T CA 1.858 64.078 62.100 0.201 0.000 1.135 11 T CB -0.784 68.218 68.868 0.224 0.000 0.869 11 T HN 0.633 nan 8.240 nan 0.000 0.466 12 G N -0.136 108.687 108.800 0.040 0.000 2.498 12 G HA2 -0.178 3.784 3.960 0.002 0.000 0.219 12 G HA3 -0.178 3.784 3.960 0.002 0.000 0.219 12 G C 1.025 176.091 174.900 0.276 0.000 1.119 12 G CA 0.163 45.324 45.100 0.101 0.000 0.766 12 G HN 0.441 nan 8.290 nan 0.000 0.552 13 Y N -0.121 120.136 120.300 -0.071 0.000 2.574 13 Y HA 0.096 4.647 4.550 0.003 0.000 0.294 13 Y C 2.048 177.966 175.900 0.029 0.000 1.142 13 Y CA -0.774 57.236 58.100 -0.150 0.000 1.314 13 Y CB -0.623 37.551 38.460 -0.476 0.000 0.991 13 Y HN 0.255 nan 8.280 nan 0.000 0.555 14 F N 0.385 120.474 119.950 0.231 0.000 2.373 14 F HA -0.214 4.315 4.527 0.003 0.000 0.300 14 F C 1.889 177.773 175.800 0.140 0.000 1.080 14 F CA 1.090 59.243 58.000 0.255 0.000 1.417 14 F CB -0.242 38.855 39.000 0.163 0.000 1.070 14 F HN 0.030 nan 8.300 nan 0.000 0.546 15 D N 0.436 120.995 120.400 0.265 0.000 2.182 15 D HA -0.189 4.453 4.640 0.002 0.000 0.201 15 D C 2.355 178.683 176.300 0.046 0.000 0.986 15 D CA 1.231 55.350 54.000 0.198 0.000 0.847 15 D CB -0.251 40.722 40.800 0.289 0.000 0.942 15 D HN 0.287 nan 8.370 nan 0.000 0.467 16 I N 1.469 121.904 120.570 -0.226 0.000 2.133 16 I HA -0.179 3.993 4.170 0.002 0.000 0.238 16 I C -0.593 175.285 176.117 -0.398 0.000 1.074 16 I CA 1.048 61.886 61.300 -0.771 0.000 1.342 16 I CB -1.416 36.020 38.000 -0.940 0.000 1.053 16 I HN 0.024 nan 8.210 nan 0.000 0.404 17 P HA -0.169 nan 4.420 nan 0.000 0.220 17 P C 2.045 179.320 177.300 -0.042 0.000 1.148 17 P CA 1.421 64.449 63.100 -0.119 0.000 0.803 17 P CB 0.017 31.693 31.700 -0.040 0.000 0.782 18 L N 0.012 121.230 121.223 -0.009 0.000 1.989 18 L HA -0.119 4.222 4.340 0.002 0.000 0.211 18 L C 2.592 179.416 176.870 -0.076 0.000 1.071 18 L CA 2.350 57.132 54.840 -0.096 0.000 0.749 18 L CB -1.304 40.662 42.059 -0.156 0.000 0.890 18 L HN 0.007 nan 8.230 nan 0.000 0.431 19 G N -0.419 108.415 108.800 0.056 0.000 2.418 19 G HA2 -0.233 3.729 3.960 0.002 0.000 0.217 19 G HA3 -0.233 3.729 3.960 0.002 0.000 0.217 19 G C 1.540 176.545 174.900 0.175 0.000 1.158 19 G CA 0.862 46.083 45.100 0.200 0.000 0.771 19 G HN 0.370 nan 8.290 nan 0.000 0.545 20 L N 0.582 121.889 121.223 0.139 0.000 2.083 20 L HA -0.036 4.305 4.340 0.002 0.000 0.209 20 L C 3.387 180.283 176.870 0.044 0.000 1.083 20 L CA 0.949 55.847 54.840 0.097 0.000 0.752 20 L CB -0.382 41.698 42.059 0.034 0.000 0.899 20 L HN 0.315 nan 8.230 nan 0.000 0.433 21 A N 0.100 122.917 122.820 -0.005 0.000 1.873 21 A HA -0.122 4.200 4.320 0.002 0.000 0.215 21 A C 2.550 180.123 177.584 -0.019 0.000 1.186 21 A CA 1.576 53.587 52.037 -0.042 0.000 0.616 21 A CB -0.697 18.241 19.000 -0.102 0.000 0.823 21 A HN 0.372 nan 8.150 nan 0.000 0.442 22 A N -0.648 122.174 122.820 0.004 0.000 1.940 22 A HA -0.062 4.259 4.320 0.002 0.000 0.219 22 A C 2.126 179.772 177.584 0.102 0.000 1.176 22 A CA 1.778 53.850 52.037 0.060 0.000 0.631 22 A CB -0.571 18.497 19.000 0.112 0.000 0.814 22 A HN 0.610 nan 8.150 nan 0.000 0.446 23 L N -0.321 120.975 121.223 0.122 0.000 2.093 23 L HA -0.065 4.276 4.340 0.002 0.000 0.208 23 L C 2.631 179.660 176.870 0.265 0.000 1.085 23 L CA 2.275 57.226 54.840 0.184 0.000 0.755 23 L CB -0.669 41.497 42.059 0.178 0.000 0.904 23 L HN 0.376 nan 8.230 nan 0.000 0.435 24 S N -0.786 115.005 115.700 0.152 0.000 2.374 24 S HA -0.215 4.256 4.470 0.002 0.000 0.227 24 S C 2.038 176.709 174.600 0.118 0.000 1.037 24 S CA 1.861 60.137 58.200 0.126 0.000 1.024 24 S CB -0.399 62.810 63.200 0.016 0.000 0.861 24 S HN 0.495 nan 8.310 nan 0.000 0.456 25 L N 0.926 122.157 121.223 0.014 0.000 2.093 25 L HA -0.013 4.329 4.340 0.002 0.000 0.208 25 L C 2.982 179.776 176.870 -0.126 0.000 1.085 25 L CA 1.045 55.807 54.840 -0.130 0.000 0.755 25 L CB -0.739 41.248 42.059 -0.119 0.000 0.904 25 L HN 0.419 nan 8.230 nan 0.000 0.435 26 A N -0.277 122.605 122.820 0.103 0.000 1.883 26 A HA -0.246 4.076 4.320 0.002 0.000 0.217 26 A C 1.919 179.644 177.584 0.234 0.000 1.186 26 A CA 1.714 53.870 52.037 0.198 0.000 0.624 26 A CB -1.050 18.067 19.000 0.195 0.000 0.822 26 A HN 0.505 nan 8.150 nan 0.000 0.444 27 W N -1.536 119.896 121.300 0.220 0.000 2.402 27 W HA -0.072 4.589 4.660 0.002 0.000 0.286 27 W C 1.964 178.562 176.519 0.132 0.000 1.221 27 W CA 0.995 58.484 57.345 0.240 0.000 1.257 27 W CB -0.562 29.020 29.460 0.204 0.000 1.120 27 W HN 0.423 nan 8.180 nan 0.000 0.551 28 F N 0.212 120.223 119.950 0.103 0.000 2.161 28 F HA -0.254 4.274 4.527 0.001 0.000 0.300 28 F C 2.096 177.892 175.800 -0.007 0.000 1.089 28 F CA 2.123 60.095 58.000 -0.047 0.000 1.282 28 F CB -0.705 38.153 39.000 -0.236 0.000 1.010 28 F HN -0.004 nan 8.300 nan 0.000 0.485 29 H N -0.932 118.224 119.070 0.144 0.000 2.556 29 H HA 0.091 4.648 4.556 0.002 0.000 0.268 29 H C 1.780 177.078 175.328 -0.050 0.000 0.996 29 H CA 0.247 56.301 56.048 0.009 0.000 1.157 29 H CB 0.053 29.854 29.762 0.065 0.000 1.355 29 H HN 0.293 nan 8.280 nan 0.000 0.597 30 L N 0.745 122.003 121.223 0.058 0.000 2.585 30 L HA -0.014 4.327 4.340 0.002 0.000 0.226 30 L C 2.211 179.105 176.870 0.039 0.000 1.113 30 L CA 0.198 55.043 54.840 0.009 0.000 0.876 30 L CB 0.027 42.044 42.059 -0.069 0.000 1.072 30 L HN 0.464 nan 8.230 nan 0.000 0.468 31 E N -0.093 120.084 120.200 -0.039 0.000 2.118 31 E HA -0.261 4.090 4.350 0.002 0.000 0.195 31 E C 1.406 177.984 176.600 -0.036 0.000 0.992 31 E CA 1.399 57.752 56.400 -0.078 0.000 0.804 31 E CB -0.189 29.376 29.700 -0.225 0.000 0.741 31 E HN 0.363 nan 8.360 nan 0.000 0.458 32 N N 0.319 119.004 118.700 -0.026 0.000 2.381 32 N HA -0.032 4.710 4.740 0.002 0.000 0.182 32 N C 1.712 177.276 175.510 0.090 0.000 1.025 32 N CA 0.817 53.883 53.050 0.027 0.000 0.888 32 N CB 0.081 38.591 38.487 0.038 0.000 0.965 32 N HN 0.336 nan 8.380 nan 0.000 0.438 33 L N -1.788 119.507 121.223 0.120 0.000 2.316 33 L HA 0.158 4.500 4.340 0.002 0.000 0.207 33 L C -0.066 176.922 176.870 0.196 0.000 1.070 33 L CA 0.311 55.239 54.840 0.146 0.000 0.820 33 L CB 0.241 42.383 42.059 0.138 0.000 0.992 33 L HN -0.036 nan 8.230 nan 0.000 0.466 34 F N 1.017 120.961 119.950 -0.009 0.000 2.824 34 F HA 0.425 4.952 4.527 -0.000 0.000 0.375 34 F C -2.267 173.550 175.800 0.027 0.000 1.190 34 F CA -3.154 54.848 58.000 0.003 0.000 1.180 34 F CB 0.881 39.867 39.000 -0.022 0.000 1.477 34 F HN -0.216 nan 8.300 nan 0.000 0.542 35 P HA -0.166 nan 4.420 nan 0.000 0.217 35 P C 1.475 178.591 177.300 -0.306 0.000 1.148 35 P CA 1.923 64.929 63.100 -0.157 0.000 0.828 35 P CB 0.177 31.829 31.700 -0.078 0.000 0.783 36 A N -0.095 122.353 122.820 -0.620 0.000 2.121 36 A HA -0.029 4.292 4.320 0.002 0.000 0.218 36 A C 2.247 179.540 177.584 -0.485 0.000 1.154 36 A CA 1.547 53.225 52.037 -0.598 0.000 0.679 36 A CB -1.374 17.190 19.000 -0.726 0.000 0.795 36 A HN 0.203 nan 8.150 nan 0.000 0.458 37 A N 0.094 122.617 122.820 -0.495 0.000 2.024 37 A HA -0.159 4.162 4.320 0.002 0.000 0.220 37 A C 2.116 179.766 177.584 0.110 0.000 1.164 37 A CA 1.983 54.094 52.037 0.123 0.000 0.643 37 A CB -0.410 18.809 19.000 0.365 0.000 0.806 37 A HN 0.467 nan 8.150 nan 0.000 0.451 38 R N -0.355 120.137 120.500 -0.014 0.000 2.081 38 R HA -0.107 4.234 4.340 0.002 0.000 0.235 38 R C 2.096 178.419 176.300 0.039 0.000 1.131 38 R CA 2.034 58.151 56.100 0.028 0.000 0.960 38 R CB -0.586 29.706 30.300 -0.014 0.000 0.856 38 R HN 0.507 nan 8.270 nan 0.000 0.436 39 M N -0.044 119.541 119.600 -0.024 0.000 2.117 39 M HA -0.114 4.367 4.480 0.002 0.000 0.262 39 M C 1.713 177.970 176.300 -0.071 0.000 1.065 39 M CA 1.730 57.014 55.300 -0.027 0.000 1.114 39 M CB -0.307 32.260 32.600 -0.056 0.000 1.361 39 M HN 0.116 nan 8.290 nan 0.000 0.408 40 V N -0.013 119.800 119.914 -0.168 0.000 2.295 40 V HA -0.248 3.873 4.120 0.002 0.000 0.246 40 V C 2.643 178.578 176.094 -0.266 0.000 1.049 40 V CA 2.091 64.169 62.300 -0.370 0.000 1.024 40 V CB -1.226 30.079 31.823 -0.864 0.000 0.648 40 V HN 0.621 nan 8.190 nan 0.000 0.447 41 S N -0.228 115.437 115.700 -0.058 0.000 2.359 41 S HA -0.264 4.207 4.470 0.002 0.000 0.224 41 S C 1.782 176.422 174.600 0.068 0.000 1.035 41 S CA 2.063 60.319 58.200 0.093 0.000 1.018 41 S CB -0.490 62.871 63.200 0.268 0.000 0.876 41 S HN 0.653 nan 8.310 nan 0.000 0.448 42 D N 0.535 120.998 120.400 0.106 0.000 2.117 42 D HA -0.056 4.585 4.640 0.002 0.000 0.197 42 D C 2.096 178.489 176.300 0.155 0.000 0.987 42 D CA 1.121 55.247 54.000 0.211 0.000 0.829 42 D CB -0.620 40.352 40.800 0.286 0.000 0.961 42 D HN 0.307 nan 8.370 nan 0.000 0.460 43 V N 0.887 120.827 119.914 0.043 0.000 2.295 43 V HA -0.210 3.911 4.120 0.002 0.000 0.246 43 V C 2.643 178.731 176.094 -0.010 0.000 1.049 43 V CA 1.141 63.439 62.300 -0.002 0.000 1.024 43 V CB -0.471 31.317 31.823 -0.058 0.000 0.648 43 V HN 0.198 nan 8.190 nan 0.000 0.447 44 L N 0.336 121.535 121.223 -0.040 0.000 2.042 44 L HA -0.120 4.221 4.340 0.002 0.000 0.210 44 L C 2.599 179.475 176.870 0.010 0.000 1.076 44 L CA 1.810 56.634 54.840 -0.028 0.000 0.749 44 L CB -1.061 40.973 42.059 -0.041 0.000 0.893 44 L HN 0.482 nan 8.230 nan 0.000 0.432 45 G N -0.070 108.755 108.800 0.042 0.000 2.408 45 G HA2 -0.176 3.785 3.960 0.002 0.000 0.217 45 G HA3 -0.176 3.785 3.960 0.002 0.000 0.217 45 G C 1.588 176.553 174.900 0.108 0.000 1.150 45 G CA 0.497 45.632 45.100 0.058 0.000 0.776 45 G HN 0.269 nan 8.290 nan 0.000 0.542 46 I N 0.365 121.018 120.570 0.138 0.000 2.202 46 I HA -0.146 4.025 4.170 0.002 0.000 0.242 46 I C 2.766 178.896 176.117 0.021 0.000 1.091 46 I CA 0.489 61.836 61.300 0.078 0.000 1.368 46 I CB -0.208 37.810 38.000 0.030 0.000 1.058 46 I HN 0.018 nan 8.210 nan 0.000 0.410 47 V N 1.021 120.934 119.914 -0.001 0.000 2.295 47 V HA -0.302 3.819 4.120 0.002 0.000 0.246 47 V C 2.722 178.786 176.094 -0.049 0.000 1.049 47 V CA 2.025 64.304 62.300 -0.036 0.000 1.024 47 V CB -1.066 30.730 31.823 -0.044 0.000 0.648 47 V HN 0.497 nan 8.190 nan 0.000 0.447 48 A N -0.314 122.487 122.820 -0.031 0.000 1.908 48 A HA -0.222 4.100 4.320 0.002 0.000 0.218 48 A C 2.487 180.073 177.584 0.005 0.000 1.181 48 A CA 2.358 54.369 52.037 -0.043 0.000 0.627 48 A CB -0.746 18.232 19.000 -0.037 0.000 0.818 48 A HN 0.515 nan 8.150 nan 0.000 0.445 49 S N -0.149 115.575 115.700 0.039 0.000 2.368 49 S HA -0.030 4.441 4.470 0.002 0.000 0.225 49 S C 2.303 177.015 174.600 0.186 0.000 1.030 49 S CA 1.163 59.440 58.200 0.128 0.000 0.999 49 S CB -0.475 62.790 63.200 0.109 0.000 0.844 49 S HN 0.805 nan 8.310 nan 0.000 0.459 50 A N 1.151 124.009 122.820 0.062 0.000 1.902 50 A HA -0.047 4.274 4.320 0.002 0.000 0.217 50 A C 2.338 179.885 177.584 -0.062 0.000 1.181 50 A CA 1.533 53.576 52.037 0.011 0.000 0.623 50 A CB -0.885 18.096 19.000 -0.031 0.000 0.818 50 A HN 0.347 nan 8.150 nan 0.000 0.443 51 V N -2.037 117.786 119.914 -0.152 0.000 2.358 51 V HA -0.247 3.874 4.120 0.002 0.000 0.246 51 V C 2.176 177.997 176.094 -0.455 0.000 1.047 51 V CA 1.790 63.834 62.300 -0.428 0.000 1.035 51 V CB -1.007 30.484 31.823 -0.553 0.000 0.658 51 V HN 0.870 nan 8.190 nan 0.000 0.452 52 W N 0.807 121.917 121.300 -0.315 0.000 2.335 52 W HA -0.218 4.442 4.660 0.001 0.000 0.311 52 W C 2.149 178.667 176.519 -0.002 0.000 1.213 52 W CA 1.933 59.209 57.345 -0.115 0.000 1.274 52 W CB -0.299 29.158 29.460 -0.006 0.000 1.148 52 W HN 0.193 nan 8.180 nan 0.000 0.498 53 I N 0.278 120.819 120.570 -0.048 0.000 2.163 53 I HA -0.329 3.842 4.170 0.002 0.000 0.243 53 I C 2.462 178.464 176.117 -0.192 0.000 1.085 53 I CA 1.557 62.706 61.300 -0.250 0.000 1.347 53 I CB -0.939 37.048 38.000 -0.022 0.000 1.044 53 I HN 0.110 nan 8.210 nan 0.000 0.408 54 L N 0.220 121.380 121.223 -0.105 0.000 2.017 54 L HA -0.219 4.122 4.340 0.002 0.000 0.208 54 L C 2.185 179.134 176.870 0.132 0.000 1.073 54 L CA 2.050 56.890 54.840 -0.001 0.000 0.745 54 L CB -0.673 41.399 42.059 0.021 0.000 0.894 54 L HN 0.043 nan 8.230 nan 0.000 0.432 55 F N -0.581 119.255 119.950 -0.190 0.000 2.259 55 F HA -0.081 4.447 4.527 0.002 0.000 0.298 55 F C 2.465 178.215 175.800 -0.084 0.000 1.088 55 F CA 0.328 58.158 58.000 -0.285 0.000 1.358 55 F CB -0.828 37.697 39.000 -0.792 0.000 1.040 55 F HN 0.050 nan 8.300 nan 0.000 0.505 56 I N -0.174 120.427 120.570 0.052 0.000 2.226 56 I HA -0.282 3.889 4.170 0.002 0.000 0.245 56 I C 2.467 178.624 176.117 0.067 0.000 1.100 56 I CA 1.300 62.613 61.300 0.023 0.000 1.374 56 I CB -1.236 36.472 38.000 -0.486 0.000 1.057 56 I HN 0.137 nan 8.210 nan 0.000 0.413 57 L N -0.384 120.841 121.223 0.002 0.000 2.046 57 L HA -0.219 4.122 4.340 0.002 0.000 0.208 57 L C 2.724 179.657 176.870 0.106 0.000 1.077 57 L CA 1.283 56.149 54.840 0.044 0.000 0.747 57 L CB -0.429 41.635 42.059 0.009 0.000 0.896 57 L HN 0.198 nan 8.230 nan 0.000 0.432 58 M N -1.789 117.866 119.600 0.092 0.000 2.117 58 M HA -0.260 4.222 4.480 0.002 0.000 0.262 58 M C 2.347 178.728 176.300 0.136 0.000 1.065 58 M CA 1.913 57.246 55.300 0.055 0.000 1.114 58 M CB -0.522 32.057 32.600 -0.035 0.000 1.361 58 M HN 0.144 nan 8.290 nan 0.000 0.408 59 Y N 0.700 121.065 120.300 0.109 0.000 2.314 59 Y HA -0.104 4.448 4.550 0.002 0.000 0.293 59 Y C 2.445 178.416 175.900 0.118 0.000 1.129 59 Y CA 1.308 59.489 58.100 0.133 0.000 1.201 59 Y CB -0.189 38.407 38.460 0.227 0.000 0.999 59 Y HN 0.176 nan 8.280 nan 0.000 0.541 60 A N -0.859 122.092 122.820 0.217 0.000 1.933 60 A HA -0.260 4.061 4.320 0.002 0.000 0.218 60 A C 2.043 179.687 177.584 0.101 0.000 1.175 60 A CA 1.697 53.814 52.037 0.133 0.000 0.628 60 A CB -1.388 17.680 19.000 0.113 0.000 0.814 60 A HN 0.680 nan 8.150 nan 0.000 0.444 61 Y N 0.349 120.672 120.300 0.038 0.000 2.200 61 Y HA -0.184 4.368 4.550 0.003 0.000 0.290 61 Y C 2.416 178.391 175.900 0.124 0.000 1.137 61 Y CA 2.251 60.423 58.100 0.120 0.000 1.163 61 Y CB -0.113 38.419 38.460 0.120 0.000 0.988 61 Y HN 0.298 nan 8.280 nan 0.000 0.518 62 K N 0.154 120.620 120.400 0.110 0.000 2.063 62 K HA -0.201 4.120 4.320 0.002 0.000 0.208 62 K C 1.987 178.566 176.600 -0.034 0.000 1.048 62 K CA 1.819 58.074 56.287 -0.054 0.000 0.928 62 K CB -0.380 31.882 32.500 -0.397 0.000 0.713 62 K HN 0.400 nan 8.250 nan 0.000 0.442 63 L N 0.404 121.557 121.223 -0.117 0.000 2.083 63 L HA -0.167 4.174 4.340 0.002 0.000 0.209 63 L C 2.711 179.608 176.870 0.044 0.000 1.083 63 L CA 1.001 55.861 54.840 0.033 0.000 0.752 63 L CB -0.300 41.791 42.059 0.054 0.000 0.899 63 L HN 0.149 nan 8.230 nan 0.000 0.433 64 R N -0.415 119.986 120.500 -0.165 0.000 2.073 64 R HA -0.140 4.201 4.340 0.002 0.000 0.229 64 R C 1.428 177.408 176.300 -0.534 0.000 1.120 64 R CA 1.825 57.640 56.100 -0.475 0.000 0.967 64 R CB -0.322 29.484 30.300 -0.823 0.000 0.862 64 R HN 0.316 nan 8.270 nan 0.000 0.436 65 Y N -2.635 117.598 120.300 -0.111 0.000 2.426 65 Y HA 0.289 4.840 4.550 0.002 0.000 0.249 65 Y C -0.035 175.778 175.900 -0.144 0.000 1.103 65 Y CA -0.312 57.684 58.100 -0.173 0.000 1.256 65 Y CB 0.534 38.758 38.460 -0.393 0.000 1.208 65 Y HN -0.042 nan 8.280 nan 0.000 0.519 66 Y N -1.636 118.694 120.300 0.051 0.000 2.666 66 Y HA 0.141 4.692 4.550 0.003 0.000 0.264 66 Y C 1.111 177.026 175.900 0.025 0.000 1.054 66 Y CA -0.840 57.283 58.100 0.038 0.000 1.121 66 Y CB -0.189 38.277 38.460 0.010 0.000 1.190 66 Y HN 0.033 nan 8.280 nan 0.000 0.587 67 F N 1.372 121.342 119.950 0.033 0.000 2.161 67 F HA -0.191 4.337 4.527 0.002 0.000 0.300 67 F C 1.960 177.781 175.800 0.035 0.000 1.089 67 F CA 1.811 59.811 58.000 0.001 0.000 1.282 67 F CB 0.316 39.296 39.000 -0.034 0.000 1.010 67 F HN 0.093 nan 8.300 nan 0.000 0.485 68 E N 0.525 120.767 120.200 0.070 0.000 2.204 68 E HA -0.202 4.149 4.350 0.002 0.000 0.195 68 E C 2.038 178.613 176.600 -0.041 0.000 0.990 68 E CA 1.327 57.730 56.400 0.005 0.000 0.821 68 E CB -0.394 29.352 29.700 0.076 0.000 0.750 68 E HN 0.637 nan 8.360 nan 0.000 0.477 69 E N 0.247 120.444 120.200 -0.006 0.000 2.106 69 E HA -0.098 4.254 4.350 0.002 0.000 0.192 69 E C 2.199 178.770 176.600 -0.049 0.000 0.984 69 E CA 0.920 57.327 56.400 0.011 0.000 0.806 69 E CB 0.073 29.816 29.700 0.071 0.000 0.750 69 E HN 0.030 nan 8.360 nan 0.000 0.458 70 V N 1.359 121.170 119.914 -0.172 0.000 2.358 70 V HA -0.241 3.880 4.120 0.002 0.000 0.246 70 V C 2.439 178.412 176.094 -0.202 0.000 1.047 70 V CA 1.695 63.879 62.300 -0.195 0.000 1.035 70 V CB -0.510 31.108 31.823 -0.342 0.000 0.658 70 V HN 0.214 nan 8.190 nan 0.000 0.452 71 R N 0.254 120.505 120.500 -0.415 0.000 2.091 71 R HA -0.189 4.153 4.340 0.002 0.000 0.238 71 R C 2.285 178.637 176.300 0.086 0.000 1.136 71 R CA 1.802 57.774 56.100 -0.213 0.000 0.959 71 R CB -0.418 29.775 30.300 -0.179 0.000 0.856 71 R HN 0.498 nan 8.270 nan 0.000 0.437 72 A N 1.614 124.479 122.820 0.076 0.000 1.930 72 A HA -0.207 4.114 4.320 0.002 0.000 0.217 72 A C 1.950 179.630 177.584 0.159 0.000 1.175 72 A CA 1.648 53.768 52.037 0.139 0.000 0.627 72 A CB -0.484 18.575 19.000 0.098 0.000 0.815 72 A HN 0.705 nan 8.150 nan 0.000 0.443 73 E N -1.701 118.586 120.200 0.145 0.000 2.106 73 E HA -0.263 4.088 4.350 0.002 0.000 0.192 73 E C 1.943 178.690 176.600 0.245 0.000 0.984 73 E CA 1.428 57.947 56.400 0.197 0.000 0.806 73 E CB -0.644 29.177 29.700 0.202 0.000 0.750 73 E HN 0.658 nan 8.360 nan 0.000 0.458 74 Y N 1.647 121.998 120.300 0.086 0.000 2.145 74 Y HA -0.232 4.319 4.550 0.002 0.000 0.286 74 Y C 2.131 178.005 175.900 -0.044 0.000 1.145 74 Y CA 2.187 60.309 58.100 0.036 0.000 1.148 74 Y CB -0.139 38.227 38.460 -0.157 0.000 0.981 74 Y HN 0.138 nan 8.280 nan 0.000 0.507 75 H N -0.932 118.201 119.070 0.104 0.000 2.548 75 H HA 0.094 4.651 4.556 0.002 0.000 0.268 75 H C 0.999 176.311 175.328 -0.027 0.000 0.975 75 H CA 0.808 56.843 56.048 -0.022 0.000 1.195 75 H CB -0.255 29.555 29.762 0.080 0.000 1.397 75 H HN 0.145 nan 8.280 nan 0.000 0.572 76 S N 2.890 118.683 115.700 0.156 0.000 2.533 76 S HA 0.024 4.496 4.470 0.002 0.000 0.282 76 S C -1.287 173.423 174.600 0.184 0.000 1.304 76 S CA -1.240 57.050 58.200 0.150 0.000 1.063 76 S CB 1.121 64.426 63.200 0.174 0.000 0.881 76 S HN 0.128 nan 8.310 nan 0.000 0.493 77 P HA 0.041 nan 4.420 nan 0.000 0.241 77 P C 0.943 178.447 177.300 0.340 0.000 1.191 77 P CA 0.325 63.556 63.100 0.219 0.000 0.771 77 P CB 0.145 31.922 31.700 0.129 0.000 0.929 78 V N 0.228 120.236 119.914 0.156 0.000 2.743 78 V HA 0.112 4.233 4.120 0.002 0.000 0.237 78 V C 2.539 178.677 176.094 0.073 0.000 1.113 78 V CA 0.816 63.119 62.300 0.005 0.000 1.141 78 V CB -0.611 31.064 31.823 -0.247 0.000 0.873 78 V HN -0.040 nan 8.190 nan 0.000 0.486 79 R N 0.559 121.181 120.500 0.203 0.000 2.235 79 R HA -0.062 4.279 4.340 0.002 0.000 0.213 79 R C 2.249 178.710 176.300 0.268 0.000 1.059 79 R CA 1.460 57.751 56.100 0.317 0.000 0.997 79 R CB -0.437 30.045 30.300 0.304 0.000 0.884 79 R HN 0.721 nan 8.270 nan 0.000 0.462 80 F N 0.182 120.200 119.950 0.113 0.000 2.202 80 F HA -0.090 4.438 4.527 0.003 0.000 0.301 80 F C 1.935 177.849 175.800 0.190 0.000 1.082 80 F CA 0.887 58.961 58.000 0.124 0.000 1.313 80 F CB -0.572 38.379 39.000 -0.081 0.000 1.024 80 F HN -0.226 nan 8.300 nan 0.000 0.495 81 S N 0.800 115.876 115.700 -1.040 0.000 2.400 81 S HA -0.146 4.326 4.470 0.002 0.000 0.232 81 S C 1.565 175.865 174.600 -0.500 0.000 1.025 81 S CA 1.521 59.118 58.200 -1.005 0.000 0.993 81 S CB -0.779 61.757 63.200 -1.106 0.000 0.808 81 S HN 0.443 nan 8.310 nan 0.000 0.478 82 F N 1.416 121.287 119.950 -0.132 0.000 2.365 82 F HA 0.064 4.592 4.527 0.002 0.000 0.300 82 F C 1.868 177.582 175.800 -0.145 0.000 1.090 82 F CA 0.225 58.189 58.000 -0.060 0.000 1.408 82 F CB -0.748 38.269 39.000 0.029 0.000 1.060 82 F HN 0.168 nan 8.300 nan 0.000 0.534 83 I N 0.068 120.609 120.570 -0.048 0.000 2.335 83 I HA -0.329 3.842 4.170 0.002 0.000 0.251 83 I C 2.556 178.338 176.117 -0.558 0.000 1.129 83 I CA 1.124 62.231 61.300 -0.322 0.000 1.402 83 I CB -0.707 37.129 38.000 -0.274 0.000 1.069 83 I HN 0.126 nan 8.210 nan 0.000 0.424 84 A N 0.783 123.311 122.820 -0.486 0.000 2.070 84 A HA -0.114 4.208 4.320 0.002 0.000 0.220 84 A C 2.240 179.677 177.584 -0.246 0.000 1.159 84 A CA 1.052 52.855 52.037 -0.390 0.000 0.656 84 A CB -0.706 18.187 19.000 -0.178 0.000 0.800 84 A HN 0.428 nan 8.150 nan 0.000 0.453 85 L N -0.644 120.464 121.223 -0.191 0.000 2.187 85 L HA -0.208 4.133 4.340 0.002 0.000 0.213 85 L C 2.293 178.991 176.870 -0.285 0.000 1.100 85 L CA 0.998 55.765 54.840 -0.122 0.000 0.765 85 L CB -0.570 41.514 42.059 0.043 0.000 0.904 85 L HN 0.425 nan 8.230 nan 0.000 0.437 86 I N 0.124 120.365 120.570 -0.549 0.000 2.133 86 I HA -0.160 4.011 4.170 0.002 0.000 0.238 86 I C -0.195 175.776 176.117 -0.244 0.000 1.074 86 I CA 1.236 62.136 61.300 -0.667 0.000 1.342 86 I CB -1.583 35.890 38.000 -0.878 0.000 1.053 86 I HN 0.196 nan 8.210 nan 0.000 0.404 87 P HA -0.118 nan 4.420 nan 0.000 0.219 87 P C 1.902 179.151 177.300 -0.085 0.000 1.150 87 P CA 1.578 64.617 63.100 -0.102 0.000 0.814 87 P CB -0.029 31.608 31.700 -0.105 0.000 0.787 88 I N 0.045 120.557 120.570 -0.096 0.000 2.142 88 I HA -0.221 3.950 4.170 0.002 0.000 0.240 88 I C 2.306 178.358 176.117 -0.109 0.000 1.078 88 I CA 1.952 63.206 61.300 -0.076 0.000 1.343 88 I CB -1.337 36.634 38.000 -0.048 0.000 1.046 88 I HN -0.014 nan 8.210 nan 0.000 0.405 89 T N -0.204 114.307 114.554 -0.071 0.000 2.788 89 T HA -0.160 4.192 4.350 0.002 0.000 0.268 89 T C 1.882 176.432 174.700 -0.250 0.000 1.044 89 T CA 1.904 63.968 62.100 -0.060 0.000 1.139 89 T CB -0.421 68.600 68.868 0.255 0.000 0.867 89 T HN 0.369 nan 8.240 nan 0.000 0.454 90 T N 2.344 116.830 114.554 -0.113 0.000 2.720 90 T HA -0.037 4.314 4.350 0.002 0.000 0.268 90 T C 2.051 176.564 174.700 -0.312 0.000 1.037 90 T CA 1.200 63.171 62.100 -0.214 0.000 1.144 90 T CB -0.355 68.597 68.868 0.140 0.000 0.864 90 T HN 0.345 nan 8.240 nan 0.000 0.444 91 M N 0.341 119.818 119.600 -0.205 0.000 2.132 91 M HA 0.020 4.501 4.480 0.002 0.000 0.263 91 M C 2.241 178.401 176.300 -0.234 0.000 1.065 91 M CA 1.471 56.646 55.300 -0.207 0.000 1.122 91 M CB -0.563 31.933 32.600 -0.173 0.000 1.365 91 M HN 0.196 nan 8.290 nan 0.000 0.411 92 L N -0.694 120.389 121.223 -0.232 0.000 2.093 92 L HA -0.161 4.181 4.340 0.002 0.000 0.208 92 L C 2.427 179.130 176.870 -0.277 0.000 1.085 92 L CA 0.729 55.438 54.840 -0.218 0.000 0.755 92 L CB -0.680 41.268 42.059 -0.185 0.000 0.904 92 L HN 0.117 nan 8.230 nan 0.000 0.435 93 V N 0.321 119.987 119.914 -0.415 0.000 2.343 93 V HA -0.215 3.906 4.120 0.002 0.000 0.247 93 V C 2.654 178.540 176.094 -0.348 0.000 1.051 93 V CA 1.989 64.004 62.300 -0.475 0.000 1.036 93 V CB -1.248 30.002 31.823 -0.954 0.000 0.654 93 V HN 0.574 nan 8.190 nan 0.000 0.451 94 G N -0.140 108.464 108.800 -0.327 0.000 2.440 94 G HA2 -0.281 3.680 3.960 0.002 0.000 0.218 94 G HA3 -0.281 3.680 3.960 0.002 0.000 0.218 94 G C 1.226 176.037 174.900 -0.148 0.000 1.154 94 G CA 1.142 46.128 45.100 -0.190 0.000 0.767 94 G HN 0.513 nan 8.290 nan 0.000 0.552 95 D N 0.607 120.888 120.400 -0.199 0.000 2.117 95 D HA -0.080 4.561 4.640 0.002 0.000 0.197 95 D C 2.536 178.681 176.300 -0.258 0.000 0.987 95 D CA 0.502 54.373 54.000 -0.215 0.000 0.829 95 D CB -0.216 40.456 40.800 -0.213 0.000 0.961 95 D HN 0.394 nan 8.370 nan 0.000 0.460 96 I N 0.606 121.013 120.570 -0.272 0.000 2.142 96 I HA -0.245 3.926 4.170 0.002 0.000 0.240 96 I C 2.357 178.262 176.117 -0.354 0.000 1.078 96 I CA 0.857 61.948 61.300 -0.349 0.000 1.343 96 I CB -0.206 37.660 38.000 -0.224 0.000 1.046 96 I HN -0.031 nan 8.210 nan 0.000 0.405 97 L N -0.749 120.389 121.223 -0.141 0.000 2.275 97 L HA -0.230 4.112 4.340 0.002 0.000 0.215 97 L C 2.548 179.398 176.870 -0.033 0.000 1.119 97 L CA 0.942 55.794 54.840 0.020 0.000 0.790 97 L CB -0.727 41.380 42.059 0.081 0.000 0.919 97 L HN 0.277 nan 8.230 nan 0.000 0.443 98 Y N 1.903 122.078 120.300 -0.207 0.000 2.241 98 Y HA -0.317 4.234 4.550 0.002 0.000 0.286 98 Y C 2.799 178.572 175.900 -0.211 0.000 1.166 98 Y CA 1.856 59.852 58.100 -0.174 0.000 1.203 98 Y CB -0.167 38.179 38.460 -0.190 0.000 0.977 98 Y HN 0.209 nan 8.280 nan 0.000 0.529 99 R N -1.507 118.788 120.500 -0.342 0.000 2.189 99 R HA -0.158 4.183 4.340 0.002 0.000 0.223 99 R C 1.310 177.373 176.300 -0.395 0.000 1.092 99 R CA 1.583 57.410 56.100 -0.454 0.000 0.989 99 R CB -0.760 29.069 30.300 -0.786 0.000 0.876 99 R HN 0.377 nan 8.270 nan 0.000 0.457 100 W N -0.051 121.200 121.300 -0.081 0.000 2.792 100 W HA 0.319 4.980 4.660 0.001 0.000 0.262 100 W C 0.349 176.813 176.519 -0.093 0.000 1.212 100 W CA -0.432 56.873 57.345 -0.067 0.000 1.433 100 W CB 0.092 29.525 29.460 -0.045 0.000 1.004 100 W HN 0.038 nan 8.180 nan 0.000 0.608 101 N N 0.156 118.902 118.700 0.076 0.000 2.827 101 N HA 0.149 4.891 4.740 0.002 0.000 0.240 101 N C -2.478 172.979 175.510 -0.089 0.000 1.352 101 N CA -1.153 51.902 53.050 0.008 0.000 0.760 101 N CB 1.502 40.033 38.487 0.074 0.000 1.426 101 N HN -0.332 nan 8.380 nan 0.000 0.561 102 P HA -0.042 nan 4.420 nan 0.000 0.219 102 P C 1.580 178.867 177.300 -0.021 0.000 1.146 102 P CA 0.835 63.726 63.100 -0.350 0.000 0.808 102 P CB 0.608 31.983 31.700 -0.542 0.000 0.779 103 L N -1.527 119.699 121.223 0.005 0.000 2.044 103 L HA -0.115 4.226 4.340 0.002 0.000 0.205 103 L C 2.428 179.351 176.870 0.088 0.000 1.075 103 L CA 1.353 56.233 54.840 0.066 0.000 0.747 103 L CB -0.804 41.286 42.059 0.051 0.000 0.903 103 L HN -0.080 nan 8.230 nan 0.000 0.435 104 I N 0.093 120.705 120.570 0.070 0.000 2.226 104 I HA -0.272 3.899 4.170 0.002 0.000 0.245 104 I C 2.856 179.023 176.117 0.083 0.000 1.100 104 I CA 1.066 62.414 61.300 0.081 0.000 1.374 104 I CB -0.468 37.579 38.000 0.078 0.000 1.057 104 I HN 0.203 nan 8.210 nan 0.000 0.413 105 A N 0.613 123.481 122.820 0.080 0.000 1.892 105 A HA -0.314 4.007 4.320 0.002 0.000 0.218 105 A C 2.291 179.924 177.584 0.083 0.000 1.188 105 A CA 2.305 54.391 52.037 0.082 0.000 0.631 105 A CB -0.748 18.363 19.000 0.186 0.000 0.822 105 A HN 0.523 nan 8.150 nan 0.000 0.447 106 E N -0.409 119.880 120.200 0.148 0.000 2.110 106 E HA -0.122 4.229 4.350 0.002 0.000 0.193 106 E C 1.820 178.545 176.600 0.209 0.000 0.988 106 E CA 1.326 57.824 56.400 0.164 0.000 0.804 106 E CB -0.159 29.706 29.700 0.276 0.000 0.745 106 E HN 0.310 nan 8.360 nan 0.000 0.458 107 V N 1.220 121.251 119.914 0.195 0.000 2.295 107 V HA -0.283 3.839 4.120 0.002 0.000 0.246 107 V C 2.450 178.637 176.094 0.155 0.000 1.049 107 V CA 1.678 64.098 62.300 0.200 0.000 1.024 107 V CB -0.487 31.424 31.823 0.146 0.000 0.648 107 V HN 0.367 nan 8.190 nan 0.000 0.447 108 L N -0.784 120.491 121.223 0.086 0.000 2.046 108 L HA -0.191 4.151 4.340 0.002 0.000 0.208 108 L C 2.378 179.234 176.870 -0.023 0.000 1.077 108 L CA 1.676 56.537 54.840 0.036 0.000 0.747 108 L CB -0.512 41.519 42.059 -0.046 0.000 0.896 108 L HN 0.276 nan 8.230 nan 0.000 0.432 109 I N -1.522 118.994 120.570 -0.090 0.000 2.226 109 I HA -0.293 3.878 4.170 0.002 0.000 0.245 109 I C 2.252 178.219 176.117 -0.250 0.000 1.100 109 I CA 1.754 62.913 61.300 -0.236 0.000 1.374 109 I CB -0.268 37.513 38.000 -0.365 0.000 1.057 109 I HN 0.299 nan 8.210 nan 0.000 0.413 110 W N 0.663 121.933 121.300 -0.051 0.000 2.418 110 W HA -0.071 4.590 4.660 0.003 0.000 0.292 110 W C 2.423 178.922 176.519 -0.034 0.000 1.213 110 W CA 0.477 57.788 57.345 -0.057 0.000 1.283 110 W CB -0.219 29.218 29.460 -0.038 0.000 1.119 110 W HN 0.001 nan 8.180 nan 0.000 0.542 111 I N 0.115 120.809 120.570 0.208 0.000 2.163 111 I HA -0.235 3.937 4.170 0.002 0.000 0.243 111 I C 2.660 178.828 176.117 0.084 0.000 1.085 111 I CA 1.686 63.069 61.300 0.139 0.000 1.347 111 I CB -1.112 36.965 38.000 0.129 0.000 1.044 111 I HN 0.081 nan 8.210 nan 0.000 0.408 112 G N -0.297 108.522 108.800 0.031 0.000 2.408 112 G HA2 -0.187 3.774 3.960 0.002 0.000 0.217 112 G HA3 -0.187 3.774 3.960 0.002 0.000 0.217 112 G C 1.653 176.531 174.900 -0.037 0.000 1.150 112 G CA 1.225 46.315 45.100 -0.018 0.000 0.776 112 G HN 0.272 nan 8.290 nan 0.000 0.542 113 T N 1.294 115.807 114.554 -0.068 0.000 2.737 113 T HA -0.008 4.344 4.350 0.002 0.000 0.265 113 T C 2.414 177.147 174.700 0.056 0.000 1.038 113 T CA 0.890 62.921 62.100 -0.114 0.000 1.144 113 T CB -0.149 68.549 68.868 -0.284 0.000 0.866 113 T HN 0.229 nan 8.240 nan 0.000 0.434 114 I N 1.189 121.844 120.570 0.142 0.000 2.226 114 I HA -0.096 4.075 4.170 0.002 0.000 0.245 114 I C 2.861 179.054 176.117 0.126 0.000 1.100 114 I CA 1.265 62.661 61.300 0.160 0.000 1.374 114 I CB -0.695 37.398 38.000 0.155 0.000 1.057 114 I HN 0.308 nan 8.210 nan 0.000 0.413 115 G N 1.012 109.870 108.800 0.097 0.000 2.421 115 G HA2 -0.303 3.659 3.960 0.002 0.000 0.216 115 G HA3 -0.303 3.659 3.960 0.002 0.000 0.216 115 G C 1.537 176.505 174.900 0.114 0.000 1.171 115 G CA 1.060 46.214 45.100 0.089 0.000 0.775 115 G HN 0.516 nan 8.290 nan 0.000 0.543 116 Q N -0.016 119.835 119.800 0.084 0.000 2.119 116 Q HA 0.083 4.424 4.340 0.002 0.000 0.201 116 Q C 2.251 178.365 176.000 0.189 0.000 0.972 116 Q CA 1.288 57.162 55.803 0.119 0.000 0.847 116 Q CB -0.656 28.111 28.738 0.050 0.000 0.903 116 Q HN 0.358 nan 8.270 nan 0.000 0.433 117 L N -0.125 121.206 121.223 0.180 0.000 2.056 117 L HA -0.004 4.338 4.340 0.002 0.000 0.207 117 L C 2.066 179.016 176.870 0.134 0.000 1.078 117 L CA 1.513 56.465 54.840 0.186 0.000 0.749 117 L CB -0.830 41.384 42.059 0.258 0.000 0.901 117 L HN 0.447 nan 8.230 nan 0.000 0.433 118 L N -1.210 120.099 121.223 0.142 0.000 2.046 118 L HA -0.210 4.131 4.340 0.002 0.000 0.208 118 L C 2.332 179.285 176.870 0.139 0.000 1.077 118 L CA 1.863 56.773 54.840 0.116 0.000 0.747 118 L CB -0.998 41.132 42.059 0.118 0.000 0.896 118 L HN 0.346 nan 8.230 nan 0.000 0.432 119 F N -0.376 119.608 119.950 0.056 0.000 2.069 119 F HA -0.273 4.255 4.527 0.002 0.000 0.298 119 F C 2.861 178.687 175.800 0.044 0.000 1.113 119 F CA 2.043 60.093 58.000 0.082 0.000 1.214 119 F CB -0.779 38.271 39.000 0.083 0.000 0.978 119 F HN 0.261 nan 8.300 nan 0.000 0.474 120 S N -1.162 114.556 115.700 0.031 0.000 2.371 120 S HA -0.164 4.308 4.470 0.002 0.000 0.224 120 S C 2.043 176.525 174.600 -0.197 0.000 1.029 120 S CA 1.844 59.970 58.200 -0.123 0.000 0.978 120 S CB -0.746 62.439 63.200 -0.025 0.000 0.833 120 S HN 0.512 nan 8.310 nan 0.000 0.466 121 T N 2.634 117.118 114.554 -0.115 0.000 2.759 121 T HA 0.007 4.358 4.350 0.002 0.000 0.269 121 T C 1.661 176.256 174.700 -0.176 0.000 1.042 121 T CA 1.493 63.509 62.100 -0.141 0.000 1.140 121 T CB -0.317 68.511 68.868 -0.067 0.000 0.864 121 T HN 0.322 nan 8.240 nan 0.000 0.455 122 L N -0.286 120.847 121.223 -0.150 0.000 2.068 122 L HA 0.088 4.429 4.340 0.002 0.000 0.204 122 L C 2.768 179.483 176.870 -0.258 0.000 1.076 122 L CA 1.047 55.805 54.840 -0.137 0.000 0.753 122 L CB -0.189 41.857 42.059 -0.023 0.000 0.910 122 L HN 0.054 nan 8.230 nan 0.000 0.439 123 R N -0.711 119.521 120.500 -0.447 0.000 2.123 123 R HA 0.037 4.379 4.340 0.002 0.000 0.209 123 R C 1.970 177.862 176.300 -0.680 0.000 1.078 123 R CA 0.748 56.431 56.100 -0.695 0.000 1.028 123 R CB -0.389 29.222 30.300 -1.148 0.000 0.939 123 R HN -0.019 nan 8.270 nan 0.000 0.463 124 V N 1.065 120.661 119.914 -0.529 0.000 2.307 124 V HA -0.229 3.892 4.120 0.002 0.000 0.245 124 V C 2.229 178.018 176.094 -0.509 0.000 1.045 124 V CA 2.108 64.177 62.300 -0.385 0.000 1.024 124 V CB -0.641 31.026 31.823 -0.260 0.000 0.651 124 V HN 0.589 nan 8.190 nan 0.000 0.449 125 S N 0.010 115.339 115.700 -0.619 0.000 2.382 125 S HA -0.290 4.181 4.470 0.002 0.000 0.228 125 S C 1.941 176.184 174.600 -0.595 0.000 1.027 125 S CA 1.792 59.456 58.200 -0.892 0.000 0.991 125 S CB -0.544 62.256 63.200 -0.667 0.000 0.823 125 S HN 0.718 nan 8.310 nan 0.000 0.469 126 E N 1.188 121.154 120.200 -0.390 0.000 2.204 126 E HA -0.102 4.249 4.350 0.002 0.000 0.195 126 E C 1.918 178.417 176.600 -0.169 0.000 0.990 126 E CA 1.081 57.337 56.400 -0.239 0.000 0.821 126 E CB -0.362 29.202 29.700 -0.226 0.000 0.750 126 E HN 0.652 nan 8.360 nan 0.000 0.477 127 L N -0.327 120.768 121.223 -0.212 0.000 2.127 127 L HA -0.187 4.155 4.340 0.002 0.000 0.211 127 L C 1.907 178.827 176.870 0.083 0.000 1.089 127 L CA 0.791 55.584 54.840 -0.078 0.000 0.757 127 L CB -0.513 41.481 42.059 -0.109 0.000 0.899 127 L HN 0.336 nan 8.230 nan 0.000 0.434 128 W N 0.596 121.820 121.300 -0.127 0.000 2.721 128 W HA -0.079 4.582 4.660 0.002 0.000 0.245 128 W C 2.356 178.832 176.519 -0.072 0.000 1.276 128 W CA 0.160 57.443 57.345 -0.103 0.000 1.342 128 W CB -0.940 28.470 29.460 -0.083 0.000 1.135 128 W HN 0.345 nan 8.180 nan 0.000 0.654 129 Q N -0.046 119.833 119.800 0.132 0.000 2.369 129 Q HA 0.201 4.542 4.340 0.002 0.000 0.206 129 Q C 1.346 177.378 176.000 0.054 0.000 0.963 129 Q CA 0.889 56.735 55.803 0.071 0.000 0.894 129 Q CB -0.220 28.536 28.738 0.030 0.000 0.965 129 Q HN 0.139 nan 8.270 nan 0.000 0.475 130 G N -0.960 107.876 108.800 0.060 0.000 2.787 130 G HA2 -0.045 3.917 3.960 0.002 0.000 0.685 130 G HA3 -0.045 3.917 3.960 0.002 0.000 0.685 130 G C 0.499 175.430 174.900 0.052 0.000 1.437 130 G CA -0.395 44.737 45.100 0.053 0.000 0.872 130 G HN 0.653 nan 8.290 nan 0.000 0.566 131 G N -2.316 106.520 108.800 0.061 0.000 2.205 131 G HA2 -0.084 3.877 3.960 0.002 0.000 0.261 131 G HA3 -0.084 3.877 3.960 0.002 0.000 0.261 131 G C 1.227 176.156 174.900 0.049 0.000 0.980 131 G CA 1.553 46.681 45.100 0.047 0.000 0.632 131 G HN 1.930 nan 8.290 nan 0.000 0.533 132 V N -0.368 119.590 119.914 0.072 0.000 2.870 132 V HA 0.459 4.580 4.120 0.002 0.000 0.232 132 V C 1.306 177.457 176.094 0.096 0.000 1.161 132 V CA 0.747 63.086 62.300 0.065 0.000 1.204 132 V CB -0.485 31.366 31.823 0.046 0.000 1.003 132 V HN 0.344 nan 8.190 nan 0.000 0.499 133 F N 2.016 121.951 119.950 -0.024 0.000 2.572 133 F HA 0.227 4.755 4.527 0.002 0.000 0.370 133 F C 0.568 176.348 175.800 -0.032 0.000 1.103 133 F CA 0.482 58.465 58.000 -0.027 0.000 1.286 133 F CB 0.294 39.284 39.000 -0.017 0.000 1.105 133 F HN 0.209 nan 8.300 nan 0.000 0.583 134 E N 2.778 122.811 120.200 -0.278 0.000 2.339 134 E HA 0.089 4.440 4.350 0.002 0.000 0.262 134 E C 0.134 176.564 176.600 -0.283 0.000 0.934 134 E CA -0.854 55.455 56.400 -0.151 0.000 0.802 134 E CB 1.639 31.260 29.700 -0.132 0.000 1.275 134 E HN 0.603 nan 8.360 nan 0.000 0.427 135 Q N 1.612 121.346 119.800 -0.110 0.000 2.112 135 Q HA -0.223 4.119 4.340 0.002 0.000 0.206 135 Q C 1.647 177.443 176.000 -0.340 0.000 0.987 135 Q CA 2.209 57.931 55.803 -0.135 0.000 0.858 135 Q CB -0.121 28.617 28.738 0.000 0.000 0.905 135 Q HN 0.475 nan 8.270 nan 0.000 0.420 136 K N -1.088 119.194 120.400 -0.197 0.000 2.515 136 K HA 0.028 4.349 4.320 0.002 0.000 0.196 136 K C 1.271 177.663 176.600 -0.348 0.000 1.038 136 K CA 1.264 57.475 56.287 -0.128 0.000 0.967 136 K CB 0.021 32.525 32.500 0.006 0.000 0.780 136 K HN -0.014 nan 8.250 nan 0.000 0.483 137 S N 0.895 116.193 115.700 -0.670 0.000 2.603 137 S HA -0.005 4.466 4.470 0.002 0.000 0.220 137 S C 0.124 174.273 174.600 -0.753 0.000 0.967 137 S CA 0.213 57.848 58.200 -0.942 0.000 0.920 137 S CB 0.170 62.494 63.200 -1.461 0.000 0.773 137 S HN 0.308 nan 8.310 nan 0.000 0.529 138 T N 3.243 117.496 114.554 -0.502 0.000 3.185 138 T HA 0.190 4.541 4.350 0.002 0.000 0.287 138 T C -0.214 174.609 174.700 0.204 0.000 1.051 138 T CA 0.172 62.219 62.100 -0.087 0.000 1.051 138 T CB -0.307 68.369 68.868 -0.321 0.000 1.034 138 T HN 0.418 nan 8.240 nan 0.000 0.685 139 H N 2.132 121.263 119.070 0.101 0.000 2.621 139 H HA 0.206 4.763 4.556 0.002 0.000 0.360 139 H C -1.727 173.702 175.328 0.167 0.000 1.163 139 H CA -2.793 53.313 56.048 0.096 0.000 1.194 139 H CB 2.375 32.124 29.762 -0.023 0.000 1.649 139 H HN 0.126 nan 8.280 nan 0.000 0.532 140 P HA -0.188 nan 4.420 nan 0.000 0.219 140 P C 1.403 178.788 177.300 0.143 0.000 1.146 140 P CA 1.453 64.672 63.100 0.199 0.000 0.808 140 P CB 0.166 32.021 31.700 0.258 0.000 0.779 141 S N -1.292 114.459 115.700 0.084 0.000 2.440 141 S HA -0.215 4.257 4.470 0.002 0.000 0.238 141 S C 1.777 176.229 174.600 -0.246 0.000 1.010 141 S CA 0.731 58.825 58.200 -0.176 0.000 0.972 141 S CB -1.864 60.991 63.200 -0.574 0.000 0.774 141 S HN 0.110 nan 8.310 nan 0.000 0.501 142 F N 1.854 121.599 119.950 -0.341 0.000 2.250 142 F HA -0.101 4.427 4.527 0.002 0.000 0.301 142 F C 1.789 177.344 175.800 -0.409 0.000 1.077 142 F CA 0.954 58.658 58.000 -0.493 0.000 1.348 142 F CB -0.422 38.136 39.000 -0.736 0.000 1.040 142 F HN 0.089 nan 8.300 nan 0.000 0.509 143 Y N 0.339 120.595 120.300 -0.073 0.000 2.315 143 Y HA -0.234 4.317 4.550 0.002 0.000 0.288 143 Y C 2.169 177.962 175.900 -0.179 0.000 1.154 143 Y CA 1.230 59.283 58.100 -0.078 0.000 1.229 143 Y CB -1.051 37.441 38.460 0.054 0.000 0.980 143 Y HN 0.116 nan 8.280 nan 0.000 0.540 144 L N 0.247 121.438 121.223 -0.052 0.000 1.976 144 L HA -0.172 4.169 4.340 0.002 0.000 0.209 144 L C -0.122 176.686 176.870 -0.103 0.000 1.071 144 L CA 1.482 56.294 54.840 -0.047 0.000 0.746 144 L CB -1.926 40.083 42.059 -0.083 0.000 0.890 144 L HN 0.144 nan 8.230 nan 0.000 0.432 145 P HA -0.070 nan 4.420 nan 0.000 0.220 145 P C 1.192 178.384 177.300 -0.180 0.000 1.152 145 P CA 1.629 64.665 63.100 -0.106 0.000 0.812 145 P CB 0.170 31.859 31.700 -0.018 0.000 0.792 146 A N -0.764 121.830 122.820 -0.376 0.000 2.021 146 A HA 0.104 4.425 4.320 0.002 0.000 0.216 146 A C 2.092 179.566 177.584 -0.183 0.000 1.163 146 A CA 1.317 53.146 52.037 -0.347 0.000 0.676 146 A CB -0.682 17.935 19.000 -0.638 0.000 0.818 146 A HN 0.085 nan 8.150 nan 0.000 0.453 147 V N -2.104 117.707 119.914 -0.171 0.000 3.278 147 V HA 0.195 4.316 4.120 0.002 0.000 0.215 147 V C 2.657 178.522 176.094 -0.383 0.000 1.287 147 V CA 0.677 62.797 62.300 -0.301 0.000 1.302 147 V CB -0.780 30.978 31.823 -0.108 0.000 1.228 147 V HN 0.386 nan 8.190 nan 0.000 0.523 148 A N 0.582 123.323 122.820 -0.132 0.000 1.908 148 A HA -0.129 4.192 4.320 0.002 0.000 0.218 148 A C 2.286 179.940 177.584 0.116 0.000 1.181 148 A CA 2.526 54.585 52.037 0.035 0.000 0.627 148 A CB -0.831 18.253 19.000 0.139 0.000 0.818 148 A HN 0.673 nan 8.150 nan 0.000 0.445 149 A N 0.185 123.034 122.820 0.049 0.000 1.902 149 A HA -0.203 4.118 4.320 0.002 0.000 0.217 149 A C 1.960 179.572 177.584 0.047 0.000 1.181 149 A CA 1.726 53.794 52.037 0.052 0.000 0.623 149 A CB -0.600 18.418 19.000 0.029 0.000 0.818 149 A HN 0.586 nan 8.150 nan 0.000 0.443 150 N N -0.695 118.008 118.700 0.006 0.000 2.142 150 N HA -0.099 4.643 4.740 0.002 0.000 0.186 150 N C 1.394 177.003 175.510 0.164 0.000 1.023 150 N CA 1.314 54.419 53.050 0.092 0.000 0.852 150 N CB -0.519 37.967 38.487 -0.000 0.000 0.998 150 N HN 0.434 nan 8.380 nan 0.000 0.424 151 F N 1.821 121.833 119.950 0.103 0.000 2.134 151 F HA -0.082 4.447 4.527 0.002 0.000 0.299 151 F C 2.577 178.436 175.800 0.097 0.000 1.097 151 F CA 0.833 58.908 58.000 0.124 0.000 1.264 151 F CB -1.296 37.747 39.000 0.072 0.000 1.001 151 F HN 0.004 nan 8.300 nan 0.000 0.479 152 T N -1.096 113.614 114.554 0.259 0.000 2.777 152 T HA -0.144 4.207 4.350 0.002 0.000 0.266 152 T C 2.308 176.992 174.700 -0.026 0.000 1.040 152 T CA 1.589 63.767 62.100 0.130 0.000 1.141 152 T CB -0.469 68.474 68.868 0.125 0.000 0.868 152 T HN 0.148 nan 8.240 nan 0.000 0.444 153 S N 1.373 117.007 115.700 -0.110 0.000 2.370 153 S HA -0.079 4.393 4.470 0.002 0.000 0.226 153 S C 2.567 176.988 174.600 -0.298 0.000 1.033 153 S CA 1.003 58.979 58.200 -0.374 0.000 1.011 153 S CB -0.580 62.141 63.200 -0.799 0.000 0.852 153 S HN 0.597 nan 8.310 nan 0.000 0.457 154 A N 1.406 124.211 122.820 -0.025 0.000 1.865 154 A HA -0.118 4.203 4.320 0.002 0.000 0.217 154 A C 2.367 179.923 177.584 -0.047 0.000 1.191 154 A CA 2.073 54.165 52.037 0.092 0.000 0.623 154 A CB -1.055 18.163 19.000 0.363 0.000 0.826 154 A HN 0.463 nan 8.150 nan 0.000 0.444 155 S N 0.114 115.799 115.700 -0.025 0.000 2.356 155 S HA -0.123 4.348 4.470 0.002 0.000 0.223 155 S C 2.293 176.786 174.600 -0.179 0.000 1.032 155 S CA 1.577 59.722 58.200 -0.090 0.000 1.005 155 S CB -0.340 62.848 63.200 -0.020 0.000 0.867 155 S HN 0.635 nan 8.310 nan 0.000 0.449 156 S N 1.580 117.159 115.700 -0.203 0.000 2.387 156 S HA 0.118 4.589 4.470 0.002 0.000 0.226 156 S C 1.809 176.200 174.600 -0.348 0.000 1.026 156 S CA 0.711 58.742 58.200 -0.282 0.000 0.972 156 S CB -0.354 62.668 63.200 -0.296 0.000 0.814 156 S HN 0.334 nan 8.310 nan 0.000 0.477 157 L N 1.114 122.122 121.223 -0.359 0.000 2.093 157 L HA -0.089 4.252 4.340 0.002 0.000 0.208 157 L C 2.751 179.472 176.870 -0.250 0.000 1.085 157 L CA 1.072 55.719 54.840 -0.322 0.000 0.755 157 L CB -0.630 41.244 42.059 -0.308 0.000 0.904 157 L HN 0.324 nan 8.230 nan 0.000 0.435 158 A N -0.005 122.615 122.820 -0.333 0.000 1.933 158 A HA -0.219 4.102 4.320 0.002 0.000 0.218 158 A C 2.194 179.459 177.584 -0.531 0.000 1.175 158 A CA 1.457 53.160 52.037 -0.556 0.000 0.628 158 A CB -0.621 18.099 19.000 -0.467 0.000 0.814 158 A HN 0.327 nan 8.150 nan 0.000 0.444 159 L N -0.203 120.779 121.223 -0.400 0.000 2.079 159 L HA -0.091 4.250 4.340 0.002 0.000 0.210 159 L C 1.970 178.544 176.870 -0.493 0.000 1.081 159 L CA 1.697 56.273 54.840 -0.442 0.000 0.752 159 L CB -0.389 41.375 42.059 -0.492 0.000 0.896 159 L HN 0.398 nan 8.230 nan 0.000 0.433 160 L N -0.733 120.266 121.223 -0.372 0.000 2.610 160 L HA 0.179 4.520 4.340 0.002 0.000 0.232 160 L C 1.591 178.307 176.870 -0.257 0.000 1.149 160 L CA 0.616 55.337 54.840 -0.199 0.000 0.872 160 L CB -0.701 41.379 42.059 0.034 0.000 0.992 160 L HN 0.585 nan 8.230 nan 0.000 0.447 161 G N -1.165 107.418 108.800 -0.362 0.000 2.176 161 G HA2 -0.309 3.653 3.960 0.002 0.000 0.232 161 G HA3 -0.309 3.653 3.960 0.002 0.000 0.232 161 G C -0.043 174.605 174.900 -0.420 0.000 0.986 161 G CA -0.470 44.407 45.100 -0.370 0.000 0.643 161 G HN 0.308 nan 8.290 nan 0.000 0.522 162 Y N 1.563 121.731 120.300 -0.220 0.000 2.812 162 Y HA 0.494 5.045 4.550 0.002 0.000 0.354 162 Y C 1.714 177.539 175.900 -0.126 0.000 1.276 162 Y CA -0.230 57.832 58.100 -0.063 0.000 1.639 162 Y CB -0.200 38.269 38.460 0.016 0.000 1.741 162 Y HN 0.364 nan 8.280 nan 0.000 0.479 163 H N -0.892 118.222 119.070 0.072 0.000 2.357 163 H HA -0.135 4.422 4.556 0.002 0.000 0.301 163 H C 1.367 176.758 175.328 0.105 0.000 1.082 163 H CA 1.975 58.013 56.048 -0.017 0.000 1.342 163 H CB 0.321 30.061 29.762 -0.037 0.000 1.389 163 H HN 0.413 nan 8.280 nan 0.000 0.511 164 D N 0.262 120.872 120.400 0.351 0.000 2.117 164 D HA -0.118 4.523 4.640 0.002 0.000 0.198 164 D C 2.270 178.769 176.300 0.332 0.000 0.982 164 D CA 0.454 54.681 54.000 0.378 0.000 0.828 164 D CB -0.275 40.697 40.800 0.287 0.000 0.967 164 D HN 0.265 nan 8.370 nan 0.000 0.464 165 L N 0.728 122.134 121.223 0.304 0.000 2.046 165 L HA -0.118 4.223 4.340 0.002 0.000 0.208 165 L C 2.331 179.420 176.870 0.366 0.000 1.077 165 L CA 1.564 56.593 54.840 0.316 0.000 0.747 165 L CB -0.627 41.624 42.059 0.319 0.000 0.896 165 L HN 0.092 nan 8.230 nan 0.000 0.432 166 G N -1.267 107.679 108.800 0.244 0.000 2.440 166 G HA2 -0.323 3.638 3.960 0.002 0.000 0.218 166 G HA3 -0.323 3.638 3.960 0.002 0.000 0.218 166 G C 1.317 176.377 174.900 0.267 0.000 1.154 166 G CA 0.804 46.007 45.100 0.171 0.000 0.767 166 G HN 0.388 nan 8.290 nan 0.000 0.552 167 Y N 0.480 120.940 120.300 0.266 0.000 2.274 167 Y HA -0.028 4.523 4.550 0.002 0.000 0.290 167 Y C 2.798 178.889 175.900 0.319 0.000 1.145 167 Y CA 0.518 58.799 58.100 0.302 0.000 1.203 167 Y CB -0.061 38.530 38.460 0.218 0.000 0.984 167 Y HN 0.093 nan 8.280 nan 0.000 0.533 168 L N -1.748 119.698 121.223 0.372 0.000 2.017 168 L HA -0.235 4.106 4.340 0.002 0.000 0.208 168 L C 2.049 178.982 176.870 0.106 0.000 1.073 168 L CA 1.362 56.304 54.840 0.170 0.000 0.745 168 L CB -0.769 41.298 42.059 0.015 0.000 0.894 168 L HN 0.177 nan 8.230 nan 0.000 0.432 169 F N -0.645 119.419 119.950 0.190 0.000 2.134 169 F HA -0.259 4.269 4.527 0.002 0.000 0.299 169 F C 2.397 178.317 175.800 0.201 0.000 1.097 169 F CA 1.577 59.665 58.000 0.147 0.000 1.264 169 F CB -0.640 38.427 39.000 0.112 0.000 1.001 169 F HN -0.056 nan 8.300 nan 0.000 0.479 170 F N 0.877 121.055 119.950 0.379 0.000 2.095 170 F HA -0.105 4.423 4.527 0.002 0.000 0.298 170 F C 2.380 178.413 175.800 0.389 0.000 1.104 170 F CA 1.776 60.039 58.000 0.438 0.000 1.232 170 F CB -1.002 38.242 39.000 0.405 0.000 0.987 170 F HN -0.066 nan 8.300 nan 0.000 0.475 171 G N -0.487 108.482 108.800 0.281 0.000 2.408 171 G HA2 -0.179 3.783 3.960 0.002 0.000 0.217 171 G HA3 -0.179 3.783 3.960 0.002 0.000 0.217 171 G C 1.828 176.735 174.900 0.011 0.000 1.150 171 G CA 0.756 45.929 45.100 0.122 0.000 0.776 171 G HN 0.631 nan 8.290 nan 0.000 0.542 172 A N 0.960 123.785 122.820 0.009 0.000 1.883 172 A HA 0.104 4.426 4.320 0.002 0.000 0.217 172 A C 2.704 180.225 177.584 -0.104 0.000 1.186 172 A CA 2.235 54.249 52.037 -0.038 0.000 0.624 172 A CB -1.109 17.856 19.000 -0.060 0.000 0.822 172 A HN 0.524 nan 8.150 nan 0.000 0.444 173 G N -1.059 107.601 108.800 -0.233 0.000 2.402 173 G HA2 -0.185 3.776 3.960 0.002 0.000 0.216 173 G HA3 -0.185 3.776 3.960 0.002 0.000 0.216 173 G C 1.667 176.305 174.900 -0.437 0.000 1.162 173 G CA 1.141 45.873 45.100 -0.612 0.000 0.777 173 G HN 0.495 nan 8.290 nan 0.000 0.539 174 M N -0.056 119.447 119.600 -0.162 0.000 2.099 174 M HA 0.090 4.571 4.480 0.002 0.000 0.262 174 M C 2.419 178.798 176.300 0.132 0.000 1.067 174 M CA 1.374 56.775 55.300 0.168 0.000 1.124 174 M CB -0.148 32.417 32.600 -0.060 0.000 1.353 174 M HN 0.220 nan 8.290 nan 0.000 0.410 175 I N 0.215 120.803 120.570 0.030 0.000 2.353 175 I HA -0.180 3.991 4.170 0.002 0.000 0.248 175 I C 2.622 178.782 176.117 0.071 0.000 1.119 175 I CA 0.939 62.253 61.300 0.024 0.000 1.417 175 I CB -0.669 37.340 38.000 0.015 0.000 1.078 175 I HN 0.354 nan 8.210 nan 0.000 0.421 176 A N 0.685 123.557 122.820 0.087 0.000 1.940 176 A HA -0.272 4.049 4.320 0.002 0.000 0.219 176 A C 2.100 179.873 177.584 0.316 0.000 1.176 176 A CA 1.706 53.841 52.037 0.164 0.000 0.631 176 A CB -1.085 17.973 19.000 0.096 0.000 0.814 176 A HN 0.695 nan 8.150 nan 0.000 0.446 177 W N 1.766 123.128 121.300 0.102 0.000 2.354 177 W HA -0.199 4.463 4.660 0.003 0.000 0.315 177 W C 1.900 178.553 176.519 0.223 0.000 1.206 177 W CA 1.904 59.377 57.345 0.213 0.000 1.290 177 W CB -0.753 28.772 29.460 0.108 0.000 1.152 177 W HN 0.475 nan 8.180 nan 0.000 0.489 178 I N -1.234 119.216 120.570 -0.201 0.000 2.830 178 I HA -0.102 4.069 4.170 0.002 0.000 0.263 178 I C 2.067 178.111 176.117 -0.123 0.000 1.230 178 I CA 1.428 62.468 61.300 -0.433 0.000 1.480 178 I CB -0.746 36.940 38.000 -0.524 0.000 1.095 178 I HN 0.022 nan 8.210 nan 0.000 0.455 179 I N 0.026 120.618 120.570 0.036 0.000 2.617 179 I HA -0.142 4.029 4.170 0.002 0.000 0.256 179 I C 2.194 178.410 176.117 0.166 0.000 1.167 179 I CA 1.012 62.358 61.300 0.076 0.000 1.469 179 I CB -0.065 37.987 38.000 0.087 0.000 1.098 179 I HN 0.249 nan 8.210 nan 0.000 0.436 180 F N 1.296 121.328 119.950 0.136 0.000 2.220 180 F HA -0.061 4.467 4.527 0.002 0.000 0.290 180 F C 2.400 178.281 175.800 0.136 0.000 1.080 180 F CA 1.323 59.403 58.000 0.134 0.000 1.318 180 F CB -0.204 38.958 39.000 0.270 0.000 1.063 180 F HN -0.036 nan 8.300 nan 0.000 0.498 181 E N 0.392 120.727 120.200 0.226 0.000 2.130 181 E HA -0.220 4.131 4.350 0.002 0.000 0.196 181 E C -0.704 175.868 176.600 -0.047 0.000 0.998 181 E CA 1.701 58.203 56.400 0.170 0.000 0.806 181 E CB -0.982 28.968 29.700 0.416 0.000 0.738 181 E HN 0.266 nan 8.360 nan 0.000 0.459 182 P HA -0.194 nan 4.420 nan 0.000 0.215 182 P C 1.616 178.847 177.300 -0.115 0.000 1.157 182 P CA 2.060 65.114 63.100 -0.076 0.000 0.874 182 P CB -0.173 31.480 31.700 -0.078 0.000 0.790 183 V N -3.126 116.659 119.914 -0.216 0.000 2.719 183 V HA -0.110 4.011 4.120 0.002 0.000 0.252 183 V C 2.141 178.082 176.094 -0.254 0.000 1.065 183 V CA 1.108 63.279 62.300 -0.215 0.000 1.086 183 V CB -1.723 29.971 31.823 -0.215 0.000 0.700 183 V HN -0.046 nan 8.190 nan 0.000 0.467 184 L N 0.351 121.290 121.223 -0.473 0.000 1.994 184 L HA -0.015 4.327 4.340 0.002 0.000 0.208 184 L C 2.337 179.196 176.870 -0.019 0.000 1.071 184 L CA 2.082 56.736 54.840 -0.310 0.000 0.745 184 L CB -0.607 41.194 42.059 -0.430 0.000 0.892 184 L HN 0.295 nan 8.230 nan 0.000 0.431 185 L N -0.959 120.269 121.223 0.008 0.000 2.141 185 L HA -0.171 4.170 4.340 0.002 0.000 0.209 185 L C 2.597 179.493 176.870 0.044 0.000 1.094 185 L CA 1.207 56.090 54.840 0.072 0.000 0.763 185 L CB -0.641 41.487 42.059 0.117 0.000 0.908 185 L HN 0.399 nan 8.230 nan 0.000 0.437 186 Q N 0.004 119.818 119.800 0.024 0.000 2.084 186 Q HA -0.267 4.075 4.340 0.002 0.000 0.202 186 Q C 2.157 178.186 176.000 0.048 0.000 0.978 186 Q CA 1.865 57.682 55.803 0.023 0.000 0.844 186 Q CB -0.209 28.535 28.738 0.011 0.000 0.898 186 Q HN 0.493 nan 8.270 nan 0.000 0.426 187 H N -0.422 118.635 119.070 -0.022 0.000 2.321 187 H HA -0.061 4.496 4.556 0.002 0.000 0.300 187 H C 1.636 176.979 175.328 0.025 0.000 1.087 187 H CA 2.029 58.078 56.048 0.002 0.000 1.319 187 H CB -0.208 29.555 29.762 0.002 0.000 1.379 187 H HN 0.305 nan 8.280 nan 0.000 0.501 188 L N -0.198 121.013 121.223 -0.019 0.000 2.046 188 L HA -0.173 4.168 4.340 0.002 0.000 0.208 188 L C 2.762 179.578 176.870 -0.090 0.000 1.077 188 L CA 1.452 56.262 54.840 -0.049 0.000 0.747 188 L CB -0.408 41.686 42.059 0.058 0.000 0.896 188 L HN 0.287 nan 8.230 nan 0.000 0.432 189 R N 0.020 120.481 120.500 -0.065 0.000 2.081 189 R HA -0.126 4.216 4.340 0.002 0.000 0.235 189 R C 2.233 178.481 176.300 -0.086 0.000 1.131 189 R CA 1.418 57.472 56.100 -0.077 0.000 0.960 189 R CB -0.259 30.013 30.300 -0.048 0.000 0.856 189 R HN 0.376 nan 8.270 nan 0.000 0.436 190 I N -1.171 119.343 120.570 -0.092 0.000 2.400 190 I HA -0.135 4.036 4.170 0.002 0.000 0.248 190 I C 2.338 178.393 176.117 -0.104 0.000 1.109 190 I CA 1.003 62.256 61.300 -0.079 0.000 1.425 190 I CB 0.050 38.023 38.000 -0.046 0.000 1.094 190 I HN 0.097 nan 8.210 nan 0.000 0.425 191 S N -1.728 113.846 115.700 -0.211 0.000 2.670 191 S HA 0.138 4.609 4.470 0.002 0.000 0.241 191 S C 0.954 175.471 174.600 -0.138 0.000 1.077 191 S CA 0.519 58.606 58.200 -0.189 0.000 0.899 191 S CB 0.097 63.123 63.200 -0.289 0.000 0.835 191 S HN 0.366 nan 8.310 nan 0.000 0.481 192 S N -0.469 115.102 115.700 -0.215 0.000 3.525 192 S HA -0.193 4.279 4.470 0.002 0.000 0.629 192 S C -0.812 173.834 174.600 0.077 0.000 2.621 192 S CA 1.201 59.393 58.200 -0.014 0.000 3.752 192 S CB -1.402 61.886 63.200 0.146 0.000 0.260 192 S HN 0.598 nan 8.310 nan 0.000 1.214 193 L N 1.150 122.514 121.223 0.235 0.000 2.408 193 L HA 0.510 4.851 4.340 0.002 0.000 0.268 193 L C -0.113 176.861 176.870 0.174 0.000 0.986 193 L CA -0.725 54.234 54.840 0.197 0.000 0.820 193 L CB 1.861 44.004 42.059 0.141 0.000 1.303 193 L HN 0.648 nan 8.230 nan 0.000 0.411 194 E N 2.851 123.181 120.200 0.216 0.000 2.404 194 E HA 0.039 4.390 4.350 0.002 0.000 0.261 194 E C -1.698 174.867 176.600 -0.059 0.000 1.074 194 E CA -1.353 55.101 56.400 0.090 0.000 0.917 194 E CB 0.597 30.367 29.700 0.118 0.000 0.965 194 E HN 0.335 nan 8.360 nan 0.000 0.433 195 P HA -0.276 nan 4.420 nan 0.000 0.216 195 P C 1.239 178.400 177.300 -0.231 0.000 1.150 195 P CA 1.319 64.277 63.100 -0.236 0.000 0.843 195 P CB 0.086 31.665 31.700 -0.202 0.000 0.787 196 Q N -1.241 118.373 119.800 -0.310 0.000 2.291 196 Q HA -0.130 4.211 4.340 0.002 0.000 0.206 196 Q C 1.022 176.767 176.000 -0.425 0.000 0.976 196 Q CA 1.641 57.193 55.803 -0.420 0.000 0.875 196 Q CB -1.003 27.387 28.738 -0.579 0.000 0.927 196 Q HN 0.290 nan 8.270 nan 0.000 0.450 197 F N 0.209 120.142 119.950 -0.029 0.000 2.678 197 F HA 0.379 4.907 4.527 0.002 0.000 0.305 197 F C 2.130 177.898 175.800 -0.054 0.000 1.090 197 F CA -0.599 57.394 58.000 -0.013 0.000 1.272 197 F CB 0.151 39.121 39.000 -0.050 0.000 1.060 197 F HN -0.074 nan 8.300 nan 0.000 0.576 198 R N 0.454 120.955 120.500 0.001 0.000 2.148 198 R HA -0.067 4.275 4.340 0.002 0.000 0.227 198 R C 2.319 178.616 176.300 -0.006 0.000 1.103 198 R CA 0.992 57.034 56.100 -0.096 0.000 0.983 198 R CB -0.362 29.700 30.300 -0.397 0.000 0.874 198 R HN 0.253 nan 8.270 nan 0.000 0.451 199 A N 0.604 123.446 122.820 0.036 0.000 2.070 199 A HA -0.162 4.160 4.320 0.002 0.000 0.220 199 A C 2.088 179.746 177.584 0.122 0.000 1.159 199 A CA 1.897 54.005 52.037 0.119 0.000 0.656 199 A CB -0.745 18.335 19.000 0.133 0.000 0.800 199 A HN 0.495 nan 8.150 nan 0.000 0.453 200 T N -3.079 111.564 114.554 0.148 0.000 3.051 200 T HA -0.080 4.271 4.350 0.002 0.000 0.269 200 T C 1.647 176.402 174.700 0.092 0.000 1.127 200 T CA 1.163 63.367 62.100 0.173 0.000 1.107 200 T CB -0.448 68.586 68.868 0.277 0.000 0.898 200 T HN 0.249 nan 8.240 nan 0.000 0.517 201 M N 1.504 121.146 119.600 0.069 0.000 2.267 201 M HA 0.033 4.515 4.480 0.002 0.000 0.263 201 M C 2.592 178.779 176.300 -0.188 0.000 1.063 201 M CA 1.316 56.659 55.300 0.071 0.000 1.090 201 M CB -1.730 30.997 32.600 0.211 0.000 1.392 201 M HN 0.571 nan 8.290 nan 0.000 0.422 202 G N 0.397 108.814 108.800 -0.638 0.000 2.462 202 G HA2 -0.175 3.786 3.960 0.002 0.000 0.220 202 G HA3 -0.175 3.786 3.960 0.002 0.000 0.220 202 G C 1.579 176.216 174.900 -0.439 0.000 1.121 202 G CA 0.473 44.714 45.100 -1.431 0.000 0.758 202 G HN 0.515 nan 8.290 nan 0.000 0.559 203 I N 0.610 121.122 120.570 -0.097 0.000 2.614 203 I HA -0.106 4.065 4.170 0.002 0.000 0.258 203 I C 2.455 178.635 176.117 0.105 0.000 1.189 203 I CA 0.166 61.519 61.300 0.088 0.000 1.462 203 I CB -0.112 38.027 38.000 0.232 0.000 1.092 203 I HN -0.006 nan 8.210 nan 0.000 0.442 204 V N 0.951 120.949 119.914 0.140 0.000 2.720 204 V HA -0.239 3.882 4.120 0.002 0.000 0.256 204 V C 2.346 178.471 176.094 0.052 0.000 1.082 204 V CA 1.290 63.705 62.300 0.190 0.000 1.101 204 V CB -0.490 31.491 31.823 0.262 0.000 0.693 204 V HN 0.389 nan 8.190 nan 0.000 0.479 205 L N 0.785 122.029 121.223 0.037 0.000 2.201 205 L HA 0.007 4.349 4.340 0.002 0.000 0.212 205 L C 2.391 179.270 176.870 0.015 0.000 1.105 205 L CA 1.999 56.889 54.840 0.084 0.000 0.775 205 L CB -0.736 41.441 42.059 0.196 0.000 0.913 205 L HN 0.209 nan 8.230 nan 0.000 0.440 206 A N 0.031 122.787 122.820 -0.106 0.000 1.873 206 A HA -0.029 4.292 4.320 0.002 0.000 0.215 206 A C 0.062 177.398 177.584 -0.414 0.000 1.186 206 A CA 1.462 53.355 52.037 -0.241 0.000 0.616 206 A CB -1.890 16.889 19.000 -0.369 0.000 0.823 206 A HN 0.391 nan 8.150 nan 0.000 0.442 207 P HA -0.209 nan 4.420 nan 0.000 0.215 207 P C 1.802 178.460 177.300 -1.069 0.000 1.163 207 P CA 2.323 64.800 63.100 -1.038 0.000 0.894 207 P CB -0.145 30.465 31.700 -1.816 0.000 0.791 208 A N -1.870 120.396 122.820 -0.923 0.000 1.933 208 A HA -0.171 4.151 4.320 0.002 0.000 0.218 208 A C 1.955 179.240 177.584 -0.498 0.000 1.175 208 A CA 1.500 53.137 52.037 -0.667 0.000 0.628 208 A CB -1.701 17.066 19.000 -0.388 0.000 0.814 208 A HN 0.074 nan 8.150 nan 0.000 0.444 209 F N -0.333 119.460 119.950 -0.261 0.000 2.187 209 F HA -0.057 4.472 4.527 0.003 0.000 0.295 209 F C 2.427 178.127 175.800 -0.167 0.000 1.091 209 F CA 1.088 59.000 58.000 -0.145 0.000 1.308 209 F CB -0.715 38.198 39.000 -0.146 0.000 1.030 209 F HN 0.007 nan 8.300 nan 0.000 0.487 210 V N -1.145 118.684 119.914 -0.141 0.000 2.343 210 V HA -0.329 3.792 4.120 0.002 0.000 0.247 210 V C 2.586 178.402 176.094 -0.464 0.000 1.051 210 V CA 1.727 63.891 62.300 -0.226 0.000 1.036 210 V CB -1.007 30.618 31.823 -0.330 0.000 0.654 210 V HN 0.631 nan 8.190 nan 0.000 0.451 211 C N -0.554 118.265 119.300 -0.801 0.000 2.436 211 C HA -0.136 4.325 4.460 0.002 0.000 0.277 211 C C 2.824 177.670 174.990 -0.240 0.000 1.241 211 C CA 1.625 59.975 59.018 -1.114 0.000 1.721 211 C CB -0.744 26.553 27.740 -0.738 0.000 2.043 211 C HN 0.405 nan 8.230 nan 0.000 0.472 212 V N 0.307 120.188 119.914 -0.055 0.000 2.427 212 V HA -0.103 4.018 4.120 0.002 0.000 0.248 212 V C 2.727 178.902 176.094 0.136 0.000 1.051 212 V CA 2.631 65.017 62.300 0.142 0.000 1.048 212 V CB -0.674 31.279 31.823 0.217 0.000 0.666 212 V HN 0.755 nan 8.190 nan 0.000 0.456 213 S N -0.237 115.522 115.700 0.099 0.000 2.353 213 S HA -0.208 4.263 4.470 0.002 0.000 0.222 213 S C 2.156 176.773 174.600 0.027 0.000 1.035 213 S CA 1.994 60.250 58.200 0.093 0.000 1.025 213 S CB -0.517 62.756 63.200 0.122 0.000 0.902 213 S HN 0.830 nan 8.310 nan 0.000 0.440 214 A N 0.076 122.903 122.820 0.012 0.000 1.902 214 A HA -0.071 4.251 4.320 0.002 0.000 0.217 214 A C 2.052 179.590 177.584 -0.077 0.000 1.181 214 A CA 1.800 53.857 52.037 0.033 0.000 0.623 214 A CB -1.240 17.865 19.000 0.175 0.000 0.818 214 A HN 0.742 nan 8.150 nan 0.000 0.443 215 Y N 0.578 120.731 120.300 -0.246 0.000 2.128 215 Y HA -0.170 4.381 4.550 0.002 0.000 0.284 215 Y C 1.935 177.640 175.900 -0.325 0.000 1.154 215 Y CA 1.841 59.625 58.100 -0.527 0.000 1.149 215 Y CB -0.427 37.806 38.460 -0.377 0.000 0.976 215 Y HN 0.215 nan 8.280 nan 0.000 0.505 216 L N -1.005 120.054 121.223 -0.274 0.000 2.201 216 L HA -0.202 4.140 4.340 0.002 0.000 0.212 216 L C 2.433 179.098 176.870 -0.340 0.000 1.105 216 L CA 1.309 55.948 54.840 -0.335 0.000 0.775 216 L CB -0.589 41.368 42.059 -0.169 0.000 0.913 216 L HN 0.114 nan 8.230 nan 0.000 0.440 217 S N 0.048 115.580 115.700 -0.281 0.000 2.383 217 S HA -0.069 4.403 4.470 0.002 0.000 0.227 217 S C 1.899 176.288 174.600 -0.351 0.000 1.026 217 S CA 1.150 59.183 58.200 -0.278 0.000 0.981 217 S CB -0.128 62.959 63.200 -0.187 0.000 0.818 217 S HN 0.333 nan 8.310 nan 0.000 0.472 218 I N 2.281 122.588 120.570 -0.439 0.000 2.584 218 I HA -0.048 4.124 4.170 0.002 0.000 0.255 218 I C 1.611 177.402 176.117 -0.544 0.000 1.145 218 I CA 0.677 61.673 61.300 -0.508 0.000 1.462 218 I CB -0.276 37.235 38.000 -0.814 0.000 1.102 218 I HN 0.278 nan 8.210 nan 0.000 0.433 219 N N 0.258 118.612 118.700 -0.577 0.000 2.295 219 N HA -0.127 4.615 4.740 0.002 0.000 0.221 219 N C 0.173 175.532 175.510 -0.252 0.000 1.129 219 N CA 0.017 52.823 53.050 -0.407 0.000 0.836 219 N CB -0.521 37.617 38.487 -0.582 0.000 1.040 219 N HN 0.363 nan 8.380 nan 0.000 0.494 220 H N -0.969 117.960 119.070 -0.235 0.000 2.936 220 H HA -0.136 4.421 4.556 0.002 0.000 0.276 220 H C 1.129 176.334 175.328 -0.205 0.000 1.216 220 H CA 0.950 56.882 56.048 -0.194 0.000 1.132 220 H CB -1.665 27.993 29.762 -0.172 0.000 1.303 220 H HN 0.639 nan 8.280 nan 0.000 0.370 221 G N 0.635 109.317 108.800 -0.197 0.000 2.143 221 G HA2 -0.328 3.633 3.960 0.002 0.000 0.248 221 G HA3 -0.328 3.633 3.960 0.002 0.000 0.248 221 G C 0.015 174.806 174.900 -0.182 0.000 0.991 221 G CA 0.586 45.565 45.100 -0.203 0.000 0.689 221 G HN 0.695 nan 8.290 nan 0.000 0.522 222 E N 0.551 120.639 120.200 -0.187 0.000 2.129 222 E HA 0.390 4.741 4.350 0.002 0.000 0.283 222 E C 0.347 176.829 176.600 -0.198 0.000 1.080 222 E CA -0.567 55.739 56.400 -0.157 0.000 0.867 222 E CB 0.571 30.205 29.700 -0.111 0.000 1.056 222 E HN 0.114 nan 8.360 nan 0.000 0.404 223 V N 6.933 126.695 119.914 -0.253 0.000 2.338 223 V HA 0.045 4.166 4.120 0.002 0.000 0.255 223 V C 0.194 176.153 176.094 -0.226 0.000 1.082 223 V CA -0.183 61.880 62.300 -0.394 0.000 0.951 223 V CB -0.093 31.316 31.823 -0.690 0.000 1.102 223 V HN 0.680 nan 8.190 nan 0.000 0.489 224 D N 2.555 122.898 120.400 -0.095 0.000 2.627 224 D HA 0.256 4.898 4.640 0.002 0.000 0.259 224 D C 1.168 177.483 176.300 0.026 0.000 1.164 224 D CA -0.494 53.502 54.000 -0.007 0.000 1.087 224 D CB 0.683 41.521 40.800 0.063 0.000 1.217 224 D HN 0.114 nan 8.370 nan 0.000 0.630 225 T N -0.315 114.265 114.554 0.042 0.000 2.708 225 T HA -0.128 4.224 4.350 0.002 0.000 0.266 225 T C 1.691 176.425 174.700 0.057 0.000 1.037 225 T CA 1.332 63.463 62.100 0.051 0.000 1.146 225 T CB -0.371 68.521 68.868 0.039 0.000 0.865 225 T HN 0.325 nan 8.240 nan 0.000 0.435 226 L N 1.565 122.804 121.223 0.027 0.000 2.012 226 L HA 0.001 4.343 4.340 0.002 0.000 0.210 226 L C 2.603 179.482 176.870 0.015 0.000 1.073 226 L CA 2.035 56.853 54.840 -0.038 0.000 0.748 226 L CB -1.123 40.796 42.059 -0.233 0.000 0.891 226 L HN 0.227 nan 8.230 nan 0.000 0.431 227 A N -0.569 122.300 122.820 0.080 0.000 1.908 227 A HA -0.260 4.061 4.320 0.002 0.000 0.218 227 A C 2.321 180.086 177.584 0.301 0.000 1.181 227 A CA 2.148 54.286 52.037 0.167 0.000 0.627 227 A CB -0.549 18.479 19.000 0.047 0.000 0.818 227 A HN 0.551 nan 8.150 nan 0.000 0.445 228 K N -0.528 120.034 120.400 0.269 0.000 2.097 228 K HA -0.004 4.317 4.320 0.002 0.000 0.205 228 K C 1.792 178.584 176.600 0.320 0.000 1.050 228 K CA 1.386 57.907 56.287 0.389 0.000 0.938 228 K CB -0.337 32.332 32.500 0.282 0.000 0.718 228 K HN 0.519 nan 8.250 nan 0.000 0.442 229 I N 1.158 121.852 120.570 0.206 0.000 2.226 229 I HA -0.307 3.864 4.170 0.002 0.000 0.245 229 I C 2.142 178.371 176.117 0.188 0.000 1.100 229 I CA 1.295 62.692 61.300 0.162 0.000 1.374 229 I CB -0.202 37.852 38.000 0.091 0.000 1.057 229 I HN 0.129 nan 8.210 nan 0.000 0.413 230 L N -1.137 120.202 121.223 0.193 0.000 2.046 230 L HA -0.225 4.116 4.340 0.002 0.000 0.208 230 L C 2.419 179.380 176.870 0.151 0.000 1.077 230 L CA 1.290 56.242 54.840 0.187 0.000 0.747 230 L CB -0.661 41.496 42.059 0.164 0.000 0.896 230 L HN 0.355 nan 8.230 nan 0.000 0.432 231 W N 0.882 122.167 121.300 -0.024 0.000 2.342 231 W HA -0.107 4.554 4.660 0.002 0.000 0.297 231 W C 2.443 178.900 176.519 -0.103 0.000 1.213 231 W CA 1.424 58.667 57.345 -0.171 0.000 1.251 231 W CB -1.001 28.414 29.460 -0.075 0.000 1.136 231 W HN 0.124 nan 8.180 nan 0.000 0.526 232 G N -1.501 107.455 108.800 0.261 0.000 2.421 232 G HA2 -0.362 3.599 3.960 0.002 0.000 0.216 232 G HA3 -0.362 3.599 3.960 0.002 0.000 0.216 232 G C 1.399 176.328 174.900 0.048 0.000 1.171 232 G CA 1.159 46.372 45.100 0.188 0.000 0.775 232 G HN 0.308 nan 8.290 nan 0.000 0.543 233 Y N 2.075 122.335 120.300 -0.066 0.000 2.242 233 Y HA 0.007 4.558 4.550 0.002 0.000 0.291 233 Y C 2.768 178.496 175.900 -0.287 0.000 1.137 233 Y CA 1.268 59.295 58.100 -0.120 0.000 1.181 233 Y CB -0.469 37.986 38.460 -0.009 0.000 0.989 233 Y HN 0.137 nan 8.280 nan 0.000 0.527 234 G N -0.552 107.963 108.800 -0.475 0.000 2.446 234 G HA2 -0.298 3.663 3.960 0.002 0.000 0.217 234 G HA3 -0.298 3.663 3.960 0.002 0.000 0.217 234 G C 1.469 175.914 174.900 -0.759 0.000 1.168 234 G CA 1.109 45.563 45.100 -1.076 0.000 0.771 234 G HN 0.397 nan 8.290 nan 0.000 0.551 235 F N 0.204 119.854 119.950 -0.501 0.000 2.186 235 F HA 0.070 4.598 4.527 0.002 0.000 0.299 235 F C 2.429 177.617 175.800 -1.021 0.000 1.090 235 F CA 0.660 58.248 58.000 -0.686 0.000 1.307 235 F CB -0.790 37.798 39.000 -0.687 0.000 1.019 235 F HN 0.111 nan 8.300 nan 0.000 0.489 236 L N 0.107 120.971 121.223 -0.599 0.000 2.013 236 L HA -0.244 4.097 4.340 0.002 0.000 0.212 236 L C 2.421 178.770 176.870 -0.869 0.000 1.073 236 L CA 1.862 56.278 54.840 -0.706 0.000 0.753 236 L CB -0.785 40.859 42.059 -0.693 0.000 0.890 236 L HN 0.079 nan 8.230 nan 0.000 0.432 237 Q N -0.764 118.591 119.800 -0.742 0.000 2.124 237 Q HA -0.193 4.148 4.340 0.002 0.000 0.202 237 Q C 2.279 178.208 176.000 -0.117 0.000 0.977 237 Q CA 1.743 57.285 55.803 -0.435 0.000 0.850 237 Q CB -0.752 27.787 28.738 -0.331 0.000 0.901 237 Q HN 0.518 nan 8.270 nan 0.000 0.429 238 L N 0.217 121.355 121.223 -0.141 0.000 2.012 238 L HA -0.157 4.184 4.340 0.002 0.000 0.210 238 L C 2.044 179.022 176.870 0.181 0.000 1.073 238 L CA 1.705 56.574 54.840 0.048 0.000 0.748 238 L CB -0.699 41.354 42.059 -0.009 0.000 0.891 238 L HN -0.012 nan 8.230 nan 0.000 0.431 239 F N -0.819 119.173 119.950 0.071 0.000 2.134 239 F HA -0.188 4.340 4.527 0.002 0.000 0.299 239 F C 2.377 178.346 175.800 0.282 0.000 1.097 239 F CA 0.775 58.844 58.000 0.115 0.000 1.264 239 F CB -1.489 37.546 39.000 0.059 0.000 1.001 239 F HN 0.056 nan 8.300 nan 0.000 0.479 240 F N 0.206 120.289 119.950 0.222 0.000 2.102 240 F HA -0.162 4.366 4.527 0.002 0.000 0.298 240 F C 2.420 178.341 175.800 0.202 0.000 1.105 240 F CA 0.821 58.916 58.000 0.159 0.000 1.239 240 F CB -1.539 37.517 39.000 0.094 0.000 0.991 240 F HN -0.047 nan 8.300 nan 0.000 0.474 241 L N -0.929 120.561 121.223 0.445 0.000 2.141 241 L HA -0.189 4.152 4.340 0.002 0.000 0.209 241 L C 2.449 179.595 176.870 0.460 0.000 1.094 241 L CA 0.644 55.763 54.840 0.465 0.000 0.763 241 L CB -0.647 41.728 42.059 0.526 0.000 0.908 241 L HN 0.103 nan 8.230 nan 0.000 0.437 242 L N -0.600 120.851 121.223 0.379 0.000 2.017 242 L HA -0.215 4.126 4.340 0.002 0.000 0.208 242 L C 2.912 179.957 176.870 0.291 0.000 1.073 242 L CA 1.063 56.083 54.840 0.300 0.000 0.745 242 L CB -0.560 41.650 42.059 0.252 0.000 0.894 242 L HN 0.272 nan 8.230 nan 0.000 0.432 243 R N 0.886 121.547 120.500 0.267 0.000 2.096 243 R HA -0.142 4.200 4.340 0.002 0.000 0.235 243 R C 2.030 178.460 176.300 0.215 0.000 1.127 243 R CA 1.529 57.747 56.100 0.196 0.000 0.968 243 R CB -0.449 29.937 30.300 0.143 0.000 0.861 243 R HN 0.380 nan 8.270 nan 0.000 0.440 244 L N 0.061 121.447 121.223 0.272 0.000 2.552 244 L HA -0.045 4.297 4.340 0.002 0.000 0.227 244 L C 2.042 179.168 176.870 0.426 0.000 1.146 244 L CA 0.010 55.040 54.840 0.316 0.000 0.858 244 L CB -0.364 41.894 42.059 0.332 0.000 0.969 244 L HN 0.074 nan 8.230 nan 0.000 0.451 245 F N 2.007 122.109 119.950 0.253 0.000 2.126 245 F HA -0.131 4.397 4.527 0.002 0.000 0.299 245 F C -0.422 175.482 175.800 0.174 0.000 1.096 245 F CA 1.563 59.686 58.000 0.205 0.000 1.255 245 F CB -1.090 37.973 39.000 0.105 0.000 0.997 245 F HN 0.082 nan 8.300 nan 0.000 0.479 246 P HA -0.217 nan 4.420 nan 0.000 0.216 246 P C 1.155 178.511 177.300 0.094 0.000 1.150 246 P CA 1.929 65.108 63.100 0.131 0.000 0.837 246 P CB -0.416 31.383 31.700 0.166 0.000 0.786 247 W N 0.388 121.678 121.300 -0.017 0.000 2.381 247 W HA -0.122 4.539 4.660 0.002 0.000 0.301 247 W C 1.916 178.399 176.519 -0.060 0.000 1.205 247 W CA 1.199 58.530 57.345 -0.022 0.000 1.285 247 W CB -0.857 28.609 29.460 0.010 0.000 1.133 247 W HN -0.215 nan 8.180 nan 0.000 0.521 248 I N 0.946 121.473 120.570 -0.071 0.000 2.208 248 I HA -0.268 3.903 4.170 0.002 0.000 0.245 248 I C 1.861 177.725 176.117 -0.422 0.000 1.097 248 I CA 1.794 62.895 61.300 -0.333 0.000 1.363 248 I CB -0.759 37.175 38.000 -0.108 0.000 1.051 248 I HN 0.028 nan 8.210 nan 0.000 0.413 249 V N -2.441 117.211 119.914 -0.437 0.000 3.170 249 V HA 0.148 4.269 4.120 0.002 0.000 0.354 249 V C 1.616 177.581 176.094 -0.215 0.000 1.350 249 V CA -0.011 62.080 62.300 -0.349 0.000 1.244 249 V CB -0.246 31.326 31.823 -0.419 0.000 1.222 249 V HN 0.376 nan 8.190 nan 0.000 0.478 250 E N 1.383 121.449 120.200 -0.224 0.000 2.086 250 E HA -0.254 4.097 4.350 0.002 0.000 0.200 250 E C 1.298 177.830 176.600 -0.114 0.000 1.012 250 E CA 1.637 57.951 56.400 -0.144 0.000 0.812 250 E CB 0.155 29.746 29.700 -0.181 0.000 0.743 250 E HN 0.531 nan 8.360 nan 0.000 0.453 251 K N -0.044 120.272 120.400 -0.139 0.000 2.410 251 K HA 0.221 4.542 4.320 0.002 0.000 0.200 251 K C 0.123 176.677 176.600 -0.077 0.000 1.023 251 K CA 0.677 56.905 56.287 -0.099 0.000 1.149 251 K CB 0.865 33.299 32.500 -0.110 0.000 0.859 251 K HN 0.303 nan 8.250 nan 0.000 0.514 252 G N 0.726 109.477 108.800 -0.081 0.000 2.484 252 G HA2 -0.140 3.821 3.960 0.002 0.000 0.685 252 G HA3 -0.140 3.821 3.960 0.002 0.000 0.685 252 G C -0.967 173.900 174.900 -0.055 0.000 1.294 252 G CA -1.130 43.938 45.100 -0.053 0.000 0.879 252 G HN 0.074 nan 8.290 nan 0.000 0.646 253 L N 1.457 122.664 121.223 -0.028 0.000 2.453 253 L HA 0.442 4.784 4.340 0.002 0.000 0.272 253 L C 0.705 177.585 176.870 0.016 0.000 1.182 253 L CA -0.187 54.650 54.840 -0.006 0.000 0.858 253 L CB 0.581 42.645 42.059 0.008 0.000 1.120 253 L HN 0.924 nan 8.230 nan 0.000 0.474 254 N N 1.446 120.165 118.700 0.030 0.000 2.610 254 N HA 0.230 4.971 4.740 0.002 0.000 0.264 254 N C 0.125 175.687 175.510 0.087 0.000 1.348 254 N CA -0.878 52.204 53.050 0.053 0.000 0.819 254 N CB 0.944 39.449 38.487 0.031 0.000 1.521 254 N HN 0.376 nan 8.380 nan 0.000 0.497 255 I N 0.378 121.003 120.570 0.091 0.000 2.530 255 I HA 0.048 4.219 4.170 0.002 0.000 0.257 255 I C 1.918 178.139 176.117 0.173 0.000 1.179 255 I CA 1.571 62.941 61.300 0.116 0.000 1.440 255 I CB -0.613 37.309 38.000 -0.130 0.000 1.087 255 I HN 0.877 nan 8.210 nan 0.000 0.440 256 G N 0.119 109.002 108.800 0.137 0.000 2.501 256 G HA2 -0.215 3.746 3.960 0.002 0.000 0.220 256 G HA3 -0.215 3.746 3.960 0.002 0.000 0.220 256 G C 1.595 176.644 174.900 0.249 0.000 1.114 256 G CA 0.598 45.803 45.100 0.174 0.000 0.757 256 G HN 0.463 nan 8.290 nan 0.000 0.559 257 L N -1.379 119.986 121.223 0.237 0.000 2.353 257 L HA -0.024 4.317 4.340 0.002 0.000 0.220 257 L C 2.379 179.440 176.870 0.319 0.000 1.133 257 L CA 0.289 55.317 54.840 0.313 0.000 0.798 257 L CB -0.284 41.889 42.059 0.189 0.000 0.922 257 L HN 0.311 nan 8.230 nan 0.000 0.445 258 W N -0.116 121.292 121.300 0.180 0.000 2.424 258 W HA -0.178 4.483 4.660 0.001 0.000 0.264 258 W C 2.499 179.151 176.519 0.222 0.000 1.229 258 W CA 0.863 58.309 57.345 0.168 0.000 1.208 258 W CB -0.231 29.278 29.460 0.082 0.000 1.127 258 W HN 0.141 nan 8.180 nan 0.000 0.588 259 A N -0.676 122.399 122.820 0.424 0.000 2.024 259 A HA -0.202 4.119 4.320 0.002 0.000 0.220 259 A C 1.574 179.318 177.584 0.266 0.000 1.164 259 A CA 1.198 53.431 52.037 0.326 0.000 0.643 259 A CB -1.092 18.047 19.000 0.232 0.000 0.806 259 A HN 0.328 nan 8.150 nan 0.000 0.451 260 F N 0.939 121.030 119.950 0.235 0.000 2.365 260 F HA -0.135 4.394 4.527 0.003 0.000 0.300 260 F C 2.791 178.697 175.800 0.177 0.000 1.090 260 F CA 1.360 59.473 58.000 0.189 0.000 1.408 260 F CB -0.096 38.982 39.000 0.129 0.000 1.060 260 F HN 0.366 nan 8.300 nan 0.000 0.534 261 S N -0.374 115.553 115.700 0.377 0.000 2.423 261 S HA -0.210 4.261 4.470 0.002 0.000 0.231 261 S C 2.066 176.875 174.600 0.349 0.000 1.014 261 S CA 0.544 58.924 58.200 0.300 0.000 0.965 261 S CB -1.027 62.404 63.200 0.384 0.000 0.785 261 S HN 0.285 nan 8.310 nan 0.000 0.495 262 F N 3.399 123.466 119.950 0.195 0.000 2.075 262 F HA 0.115 4.643 4.527 0.002 0.000 0.297 262 F C 2.500 178.368 175.800 0.113 0.000 1.113 262 F CA 0.810 58.898 58.000 0.148 0.000 1.218 262 F CB -1.359 37.728 39.000 0.144 0.000 0.984 262 F HN 0.312 nan 8.300 nan 0.000 0.472 263 G N 0.369 109.321 108.800 0.253 0.000 2.418 263 G HA2 -0.213 3.748 3.960 0.002 0.000 0.217 263 G HA3 -0.213 3.748 3.960 0.002 0.000 0.217 263 G C 1.954 176.885 174.900 0.052 0.000 1.158 263 G CA 0.930 46.102 45.100 0.121 0.000 0.771 263 G HN 0.415 nan 8.290 nan 0.000 0.545 264 L N 0.659 121.939 121.223 0.095 0.000 2.017 264 L HA -0.057 4.285 4.340 0.002 0.000 0.208 264 L C 3.412 180.256 176.870 -0.043 0.000 1.073 264 L CA 1.128 55.958 54.840 -0.016 0.000 0.745 264 L CB -0.399 41.664 42.059 0.007 0.000 0.894 264 L HN 0.299 nan 8.230 nan 0.000 0.432 265 A N -0.903 121.958 122.820 0.069 0.000 1.972 265 A HA -0.171 4.150 4.320 0.002 0.000 0.219 265 A C 2.468 180.107 177.584 0.092 0.000 1.169 265 A CA 2.005 54.089 52.037 0.078 0.000 0.635 265 A CB -0.500 18.591 19.000 0.153 0.000 0.810 265 A HN 0.387 nan 8.150 nan 0.000 0.446 266 S N -0.479 115.297 115.700 0.126 0.000 2.406 266 S HA -0.068 4.403 4.470 0.002 0.000 0.228 266 S C 1.942 176.587 174.600 0.075 0.000 1.020 266 S CA 1.405 59.690 58.200 0.142 0.000 0.965 266 S CB -0.357 62.938 63.200 0.158 0.000 0.798 266 S HN 0.586 nan 8.310 nan 0.000 0.488 267 M N 1.339 120.814 119.600 -0.209 0.000 2.080 267 M HA -0.134 4.348 4.480 0.002 0.000 0.260 267 M C 2.559 178.829 176.300 -0.050 0.000 1.068 267 M CA 1.633 56.645 55.300 -0.480 0.000 1.109 267 M CB -0.646 31.421 32.600 -0.890 0.000 1.342 267 M HN 0.403 nan 8.290 nan 0.000 0.405 268 A N 0.556 123.345 122.820 -0.052 0.000 1.877 268 A HA -0.198 4.124 4.320 0.002 0.000 0.216 268 A C 2.012 179.756 177.584 0.265 0.000 1.186 268 A CA 1.994 54.051 52.037 0.033 0.000 0.620 268 A CB -1.008 17.822 19.000 -0.285 0.000 0.822 268 A HN 0.552 nan 8.150 nan 0.000 0.443 269 N N 0.522 119.353 118.700 0.217 0.000 2.058 269 N HA -0.170 4.571 4.740 0.002 0.000 0.191 269 N C 2.068 177.757 175.510 0.299 0.000 1.037 269 N CA 2.314 55.533 53.050 0.282 0.000 0.848 269 N CB -0.258 38.384 38.487 0.258 0.000 1.021 269 N HN 0.531 nan 8.380 nan 0.000 0.422 270 S N 0.394 116.286 115.700 0.320 0.000 2.382 270 S HA -0.017 4.454 4.470 0.002 0.000 0.228 270 S C 2.262 177.128 174.600 0.442 0.000 1.027 270 S CA 1.174 59.595 58.200 0.368 0.000 0.991 270 S CB -0.579 62.912 63.200 0.485 0.000 0.823 270 S HN 0.428 nan 8.310 nan 0.000 0.469 271 A N 2.411 125.558 122.820 0.545 0.000 1.940 271 A HA -0.103 4.219 4.320 0.002 0.000 0.219 271 A C 2.600 180.421 177.584 0.395 0.000 1.176 271 A CA 2.436 54.830 52.037 0.594 0.000 0.631 271 A CB -1.875 17.463 19.000 0.563 0.000 0.814 271 A HN 0.831 nan 8.150 nan 0.000 0.446 272 T N -2.247 112.475 114.554 0.280 0.000 2.788 272 T HA 0.044 4.395 4.350 0.002 0.000 0.268 272 T C 1.878 176.696 174.700 0.198 0.000 1.044 272 T CA 1.761 63.952 62.100 0.151 0.000 1.139 272 T CB -0.527 68.401 68.868 0.100 0.000 0.867 272 T HN 0.580 nan 8.240 nan 0.000 0.454 273 A N 0.569 123.492 122.820 0.172 0.000 1.897 273 A HA 0.232 4.553 4.320 0.002 0.000 0.215 273 A C 1.999 179.611 177.584 0.046 0.000 1.181 273 A CA 0.882 52.955 52.037 0.060 0.000 0.620 273 A CB -1.026 17.951 19.000 -0.037 0.000 0.821 273 A HN 0.465 nan 8.150 nan 0.000 0.443 274 F N -1.609 118.293 119.950 -0.080 0.000 2.126 274 F HA -0.168 4.361 4.527 0.002 0.000 0.299 274 F C 2.214 178.027 175.800 0.022 0.000 1.096 274 F CA 1.767 59.688 58.000 -0.133 0.000 1.255 274 F CB -0.840 37.931 39.000 -0.381 0.000 0.997 274 F HN 0.405 nan 8.300 nan 0.000 0.479 275 Y N -0.384 120.032 120.300 0.193 0.000 2.145 275 Y HA -0.316 4.236 4.550 0.003 0.000 0.286 275 Y C 2.813 178.754 175.900 0.069 0.000 1.145 275 Y CA 2.255 60.425 58.100 0.116 0.000 1.148 275 Y CB -0.760 37.743 38.460 0.072 0.000 0.981 275 Y HN 0.147 nan 8.280 nan 0.000 0.507 276 H N -0.984 118.166 119.070 0.133 0.000 2.456 276 H HA -0.046 4.511 4.556 0.002 0.000 0.296 276 H C 2.102 177.388 175.328 -0.071 0.000 1.079 276 H CA 1.419 57.487 56.048 0.033 0.000 1.322 276 H CB -0.432 29.350 29.762 0.035 0.000 1.388 276 H HN 0.404 nan 8.280 nan 0.000 0.538 277 G N -0.667 108.133 108.800 -0.001 0.000 2.985 277 G HA2 -0.162 3.800 3.960 0.002 0.000 0.209 277 G HA3 -0.162 3.800 3.960 0.002 0.000 0.209 277 G C 0.221 175.038 174.900 -0.138 0.000 1.165 277 G CA 0.309 45.353 45.100 -0.094 0.000 0.776 277 G HN 0.541 nan 8.290 nan 0.000 0.541 278 N N -0.909 117.685 118.700 -0.176 0.000 2.725 278 N HA -0.185 4.556 4.740 0.002 0.000 0.251 278 N C -0.739 174.717 175.510 -0.090 0.000 1.031 278 N CA 0.622 53.560 53.050 -0.187 0.000 0.720 278 N CB -1.277 37.104 38.487 -0.177 0.000 0.930 278 N HN 0.103 nan 8.380 nan 0.000 0.543 279 V N 1.917 121.814 119.914 -0.027 0.000 2.444 279 V HA 0.419 4.540 4.120 0.002 0.000 0.294 279 V C 1.064 177.304 176.094 0.243 0.000 1.022 279 V CA -0.726 61.623 62.300 0.081 0.000 0.850 279 V CB 1.583 33.420 31.823 0.022 0.000 0.992 279 V HN 0.352 nan 8.190 nan 0.000 0.426 280 L N 4.513 125.868 121.223 0.220 0.000 3.762 280 L HA -0.283 4.059 4.340 0.002 0.000 0.460 280 L C 1.808 178.852 176.870 0.289 0.000 1.255 280 L CA 0.393 55.399 54.840 0.276 0.000 0.783 280 L CB -1.099 41.217 42.059 0.428 0.000 1.600 280 L HN 0.786 nan 8.230 nan 0.000 0.862 281 Q N 0.231 120.133 119.800 0.169 0.000 2.124 281 Q HA -0.169 4.172 4.340 0.002 0.000 0.202 281 Q C 2.150 178.327 176.000 0.295 0.000 0.977 281 Q CA 1.745 57.668 55.803 0.200 0.000 0.850 281 Q CB -0.016 28.683 28.738 -0.066 0.000 0.901 281 Q HN 0.840 nan 8.270 nan 0.000 0.429 282 G N 0.313 109.230 108.800 0.195 0.000 2.404 282 G HA2 -0.207 3.754 3.960 0.002 0.000 0.215 282 G HA3 -0.207 3.754 3.960 0.002 0.000 0.215 282 G C 1.517 176.530 174.900 0.189 0.000 1.174 282 G CA 0.784 45.985 45.100 0.169 0.000 0.780 282 G HN 0.209 nan 8.290 nan 0.000 0.537 283 V N 1.983 121.999 119.914 0.170 0.000 2.392 283 V HA -0.227 3.894 4.120 0.002 0.000 0.249 283 V C 3.287 179.562 176.094 0.301 0.000 1.059 283 V CA 2.407 64.787 62.300 0.133 0.000 1.051 283 V CB -0.576 31.268 31.823 0.035 0.000 0.658 283 V HN 0.630 nan 8.190 nan 0.000 0.455 284 S N -0.047 115.924 115.700 0.452 0.000 2.383 284 S HA -0.125 4.346 4.470 0.002 0.000 0.227 284 S C 1.959 176.774 174.600 0.358 0.000 1.026 284 S CA 1.518 60.047 58.200 0.548 0.000 0.981 284 S CB -0.596 62.983 63.200 0.632 0.000 0.818 284 S HN 0.533 nan 8.310 nan 0.000 0.472 285 I N 0.780 121.520 120.570 0.283 0.000 2.179 285 I HA -0.083 4.089 4.170 0.002 0.000 0.242 285 I C 2.396 178.629 176.117 0.193 0.000 1.088 285 I CA 1.718 63.116 61.300 0.163 0.000 1.357 285 I CB -0.479 37.596 38.000 0.124 0.000 1.051 285 I HN 0.346 nan 8.210 nan 0.000 0.409 286 F N 2.042 122.048 119.950 0.094 0.000 2.095 286 F HA -0.264 4.264 4.527 0.002 0.000 0.298 286 F C 2.438 178.298 175.800 0.101 0.000 1.104 286 F CA 1.574 59.612 58.000 0.064 0.000 1.232 286 F CB -0.462 38.525 39.000 -0.022 0.000 0.987 286 F HN -0.005 nan 8.300 nan 0.000 0.475 287 A N 0.081 122.875 122.820 -0.044 0.000 1.902 287 A HA -0.194 4.127 4.320 0.002 0.000 0.217 287 A C 2.196 179.713 177.584 -0.112 0.000 1.181 287 A CA 1.641 53.577 52.037 -0.169 0.000 0.623 287 A CB -1.672 17.388 19.000 0.101 0.000 0.818 287 A HN 0.575 nan 8.150 nan 0.000 0.443 288 F N 0.398 120.286 119.950 -0.104 0.000 2.146 288 F HA -0.128 4.399 4.527 0.001 0.000 0.298 288 F C 2.277 177.985 175.800 -0.153 0.000 1.096 288 F CA 1.891 59.812 58.000 -0.131 0.000 1.275 288 F CB -0.120 38.786 39.000 -0.157 0.000 1.008 288 F HN 0.035 nan 8.300 nan 0.000 0.480 289 V N -0.064 119.849 119.914 -0.002 0.000 2.307 289 V HA -0.280 3.841 4.120 0.002 0.000 0.245 289 V C 2.158 178.146 176.094 -0.177 0.000 1.045 289 V CA 1.989 64.257 62.300 -0.053 0.000 1.024 289 V CB -0.969 30.865 31.823 0.019 0.000 0.651 289 V HN 0.451 nan 8.190 nan 0.000 0.449 290 F N 1.284 120.958 119.950 -0.460 0.000 2.069 290 F HA -0.226 4.303 4.527 0.003 0.000 0.298 290 F C 2.618 178.196 175.800 -0.370 0.000 1.113 290 F CA 2.109 59.811 58.000 -0.496 0.000 1.214 290 F CB -0.413 38.033 39.000 -0.922 0.000 0.978 290 F HN 0.071 nan 8.300 nan 0.000 0.474 291 S N 0.688 116.224 115.700 -0.273 0.000 2.365 291 S HA -0.236 4.235 4.470 0.002 0.000 0.225 291 S C 1.845 176.240 174.600 -0.342 0.000 1.039 291 S CA 1.535 59.553 58.200 -0.303 0.000 1.033 291 S CB -0.599 62.441 63.200 -0.267 0.000 0.887 291 S HN 0.505 nan 8.310 nan 0.000 0.447 292 N N 0.830 119.324 118.700 -0.344 0.000 2.142 292 N HA -0.055 4.686 4.740 0.002 0.000 0.186 292 N C 1.785 177.175 175.510 -0.201 0.000 1.023 292 N CA 1.059 53.977 53.050 -0.219 0.000 0.852 292 N CB -0.323 38.075 38.487 -0.148 0.000 0.998 292 N HN 0.197 nan 8.380 nan 0.000 0.424 293 V N 1.896 121.654 119.914 -0.260 0.000 2.343 293 V HA -0.213 3.908 4.120 0.002 0.000 0.247 293 V C 2.461 178.348 176.094 -0.345 0.000 1.051 293 V CA 1.261 63.403 62.300 -0.263 0.000 1.036 293 V CB -0.320 31.343 31.823 -0.266 0.000 0.654 293 V HN 0.271 nan 8.190 nan 0.000 0.451 294 M N -0.833 118.467 119.600 -0.500 0.000 2.132 294 M HA -0.058 4.423 4.480 0.002 0.000 0.263 294 M C 2.191 178.253 176.300 -0.397 0.000 1.065 294 M CA 1.817 56.807 55.300 -0.516 0.000 1.122 294 M CB -0.995 31.198 32.600 -0.680 0.000 1.365 294 M HN 0.277 nan 8.290 nan 0.000 0.411 295 I N -0.277 120.097 120.570 -0.326 0.000 2.394 295 I HA -0.172 3.999 4.170 0.002 0.000 0.251 295 I C 2.519 178.486 176.117 -0.251 0.000 1.136 295 I CA 1.145 62.268 61.300 -0.295 0.000 1.425 295 I CB -0.905 37.009 38.000 -0.142 0.000 1.079 295 I HN 0.321 nan 8.210 nan 0.000 0.425 296 G N 1.220 109.908 108.800 -0.187 0.000 2.418 296 G HA2 -0.195 3.766 3.960 0.002 0.000 0.217 296 G HA3 -0.195 3.766 3.960 0.002 0.000 0.217 296 G C 1.704 176.512 174.900 -0.154 0.000 1.158 296 G CA 0.516 45.538 45.100 -0.130 0.000 0.771 296 G HN 0.268 nan 8.290 nan 0.000 0.545 297 L N -0.156 120.940 121.223 -0.212 0.000 2.056 297 L HA 0.007 4.348 4.340 0.002 0.000 0.207 297 L C 2.917 179.649 176.870 -0.230 0.000 1.078 297 L CA 0.458 55.175 54.840 -0.205 0.000 0.749 297 L CB -0.406 41.510 42.059 -0.240 0.000 0.901 297 L HN 0.187 nan 8.230 nan 0.000 0.433 298 L N -0.920 120.078 121.223 -0.375 0.000 2.042 298 L HA -0.224 4.117 4.340 0.002 0.000 0.210 298 L C 2.546 179.267 176.870 -0.248 0.000 1.076 298 L CA 1.004 55.503 54.840 -0.568 0.000 0.749 298 L CB -0.572 40.696 42.059 -1.319 0.000 0.893 298 L HN 0.065 nan 8.230 nan 0.000 0.432 299 V N 0.057 119.911 119.914 -0.101 0.000 2.343 299 V HA -0.295 3.826 4.120 0.002 0.000 0.247 299 V C 2.375 178.520 176.094 0.085 0.000 1.051 299 V CA 1.703 64.094 62.300 0.152 0.000 1.036 299 V CB -0.380 31.512 31.823 0.115 0.000 0.654 299 V HN 0.348 nan 8.190 nan 0.000 0.451 300 L N -1.226 120.002 121.223 0.009 0.000 2.056 300 L HA -0.197 4.145 4.340 0.002 0.000 0.207 300 L C 2.536 179.440 176.870 0.057 0.000 1.078 300 L CA 1.647 56.498 54.840 0.018 0.000 0.749 300 L CB -0.465 41.578 42.059 -0.026 0.000 0.901 300 L HN 0.306 nan 8.230 nan 0.000 0.433 301 M N -1.042 118.574 119.600 0.027 0.000 2.213 301 M HA -0.162 4.320 4.480 0.002 0.000 0.263 301 M C 2.158 178.573 176.300 0.191 0.000 1.062 301 M CA 1.650 56.993 55.300 0.073 0.000 1.105 301 M CB -0.539 32.062 32.600 0.001 0.000 1.385 301 M HN 0.245 nan 8.290 nan 0.000 0.417 302 T N 0.819 115.496 114.554 0.205 0.000 2.851 302 T HA 0.019 4.370 4.350 0.002 0.000 0.262 302 T C 1.758 176.520 174.700 0.104 0.000 1.043 302 T CA 0.958 63.204 62.100 0.244 0.000 1.140 302 T CB -0.168 68.919 68.868 0.365 0.000 0.872 302 T HN 0.288 nan 8.240 nan 0.000 0.446 303 I N 0.253 120.871 120.570 0.079 0.000 2.208 303 I HA -0.212 3.960 4.170 0.002 0.000 0.245 303 I C 2.255 178.405 176.117 0.054 0.000 1.097 303 I CA 1.539 62.852 61.300 0.021 0.000 1.363 303 I CB -0.391 37.627 38.000 0.030 0.000 1.051 303 I HN 0.227 nan 8.210 nan 0.000 0.413 304 Y N 2.108 122.409 120.300 0.003 0.000 2.081 304 Y HA -0.315 4.235 4.550 0.000 0.000 0.280 304 Y C 2.514 178.429 175.900 0.025 0.000 1.163 304 Y CA 1.750 59.857 58.100 0.010 0.000 1.135 304 Y CB -0.106 38.362 38.460 0.014 0.000 0.970 304 Y HN -0.065 nan 8.280 nan 0.000 0.498 305 K N 0.370 120.844 120.400 0.124 0.000 2.097 305 K HA -0.143 4.178 4.320 0.002 0.000 0.206 305 K C 2.207 178.808 176.600 0.001 0.000 1.049 305 K CA 1.418 57.746 56.287 0.069 0.000 0.933 305 K CB -0.751 31.882 32.500 0.221 0.000 0.717 305 K HN 0.442 nan 8.250 nan 0.000 0.442 306 L N 0.561 121.761 121.223 -0.038 0.000 2.093 306 L HA -0.133 4.209 4.340 0.002 0.000 0.208 306 L C 2.117 178.937 176.870 -0.084 0.000 1.085 306 L CA 1.153 55.934 54.840 -0.098 0.000 0.755 306 L CB -0.455 41.468 42.059 -0.226 0.000 0.904 306 L HN 0.112 nan 8.230 nan 0.000 0.435 307 T N -0.957 113.524 114.554 -0.123 0.000 3.035 307 T HA -0.075 4.276 4.350 0.002 0.000 0.268 307 T C 1.583 176.189 174.700 -0.157 0.000 1.109 307 T CA 0.840 62.860 62.100 -0.134 0.000 1.119 307 T CB 0.030 68.805 68.868 -0.155 0.000 0.900 307 T HN 0.112 nan 8.240 nan 0.000 0.503 308 K N 0.297 120.581 120.400 -0.194 0.000 2.358 308 K HA 0.291 4.612 4.320 0.002 0.000 0.197 308 K C 1.307 177.874 176.600 -0.055 0.000 1.025 308 K CA 0.208 56.399 56.287 -0.161 0.000 1.104 308 K CB 0.392 32.743 32.500 -0.247 0.000 0.855 308 K HN 0.340 nan 8.250 nan 0.000 0.531 309 G N 2.582 111.374 108.800 -0.014 0.000 2.273 309 G HA2 -0.304 3.657 3.960 0.002 0.000 0.280 309 G HA3 -0.304 3.657 3.960 0.002 0.000 0.280 309 G C 0.186 175.131 174.900 0.076 0.000 1.047 309 G CA 0.360 45.491 45.100 0.052 0.000 0.869 309 G HN 0.450 nan 8.290 nan 0.000 0.502 310 Q N -1.695 118.152 119.800 0.080 0.000 2.175 310 Q HA 0.457 4.799 4.340 0.002 0.000 0.225 310 Q C 1.345 177.429 176.000 0.141 0.000 0.837 310 Q CA -0.504 55.354 55.803 0.091 0.000 1.032 310 Q CB 0.366 29.144 28.738 0.066 0.000 1.137 310 Q HN 0.603 nan 8.270 nan 0.000 0.483 311 F N -0.160 119.778 119.950 -0.019 0.000 2.202 311 F HA 0.188 4.716 4.527 0.003 0.000 0.279 311 F C 0.270 176.047 175.800 -0.039 0.000 1.077 311 F CA 0.022 57.970 58.000 -0.086 0.000 1.193 311 F CB 0.465 39.288 39.000 -0.296 0.000 1.090 311 F HN -0.098 nan 8.300 nan 0.000 0.516 312 F N 2.025 122.087 119.950 0.187 0.000 2.450 312 F HA 0.218 4.747 4.527 0.003 0.000 0.339 312 F C 0.605 176.345 175.800 -0.100 0.000 1.146 312 F CA -0.572 57.396 58.000 -0.053 0.000 1.267 312 F CB 0.063 39.079 39.000 0.026 0.000 1.178 312 F HN -0.129 nan 8.300 nan 0.000 0.585 313 L N 0.000 121.228 121.223 0.009 0.000 2.949 313 L HA 0.000 4.341 4.340 0.002 0.000 0.249 313 L CA 0.000 54.819 54.840 -0.036 0.000 0.813 313 L CB 0.000 41.994 42.059 -0.108 0.000 0.961 313 L HN 0.000 nan 8.230 nan 0.000 0.502