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 2wgg_1_C DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.576 174.600 -0.040 0.000 1.055 2 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 2 S CB 0.000 63.186 63.200 -0.024 0.000 0.593 3 Q N 2.774 122.556 119.800 -0.031 0.000 2.300 3 Q HA 0.270 4.610 4.340 -0.000 0.000 0.280 3 Q C -2.206 173.739 176.000 -0.092 0.000 1.033 3 Q CA -1.312 54.467 55.803 -0.040 0.000 0.903 3 Q CB -0.329 28.409 28.738 0.000 0.000 1.195 3 Q HN 0.474 nan 8.270 nan 0.000 0.386 4 P HA -0.007 nan 4.420 nan 0.000 0.266 4 P C -0.468 176.579 177.300 -0.422 0.000 1.195 4 P CA 0.161 63.017 63.100 -0.406 0.000 0.768 4 P CB 0.810 32.090 31.700 -0.700 0.000 0.838 5 S N 0.461 115.994 115.700 -0.278 0.000 2.732 5 S HA 0.402 4.872 4.470 -0.000 0.000 0.293 5 S C 1.010 175.729 174.600 0.199 0.000 1.159 5 S CA -0.424 57.819 58.200 0.073 0.000 0.847 5 S CB 1.072 64.336 63.200 0.106 0.000 1.169 5 S HN 0.295 nan 8.310 nan 0.000 0.501 6 T N 1.230 116.032 114.554 0.414 0.000 2.812 6 T HA 0.096 4.446 4.350 -0.000 0.000 0.264 6 T C 2.140 176.955 174.700 0.191 0.000 1.042 6 T CA 1.567 63.885 62.100 0.362 0.000 1.140 6 T CB -0.896 68.188 68.868 0.361 0.000 0.870 6 T HN 0.819 nan 8.240 nan 0.000 0.445 7 A N 3.087 125.990 122.820 0.139 0.000 1.902 7 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 7 A C 1.934 179.553 177.584 0.059 0.000 1.181 7 A CA 1.962 54.052 52.037 0.088 0.000 0.623 7 A CB -0.723 18.309 19.000 0.053 0.000 0.818 7 A HN 0.653 nan 8.150 nan 0.000 0.443 8 N N -0.783 117.939 118.700 0.036 0.000 2.515 8 N HA 0.225 4.965 4.740 -0.000 0.000 0.191 8 N C 1.022 176.530 175.510 -0.003 0.000 1.182 8 N CA 1.327 54.380 53.050 0.005 0.000 0.879 8 N CB -0.474 38.001 38.487 -0.020 0.000 0.984 8 N HN 0.844 nan 8.380 nan 0.000 0.453 9 G N -1.423 107.392 108.800 0.024 0.000 2.212 9 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.266 9 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.266 9 G C 1.138 176.027 174.900 -0.019 0.000 0.978 9 G CA 0.491 45.607 45.100 0.026 0.000 0.632 9 G HN 0.704 nan 8.290 nan 0.000 0.537 10 G N -0.129 108.608 108.800 -0.105 0.000 2.469 10 G HA2 0.136 4.096 3.960 -0.000 0.000 0.219 10 G HA3 0.136 4.096 3.960 -0.000 0.000 0.219 10 G C 0.643 175.364 174.900 -0.299 0.000 1.150 10 G CA 1.123 46.069 45.100 -0.255 0.000 0.763 10 G HN 0.511 nan 8.290 nan 0.000 0.561 11 F N 1.620 121.583 119.950 0.023 0.000 2.397 11 F HA 0.443 4.970 4.527 -0.000 0.000 0.331 11 F C -1.740 174.061 175.800 0.001 0.000 1.090 11 F CA -3.195 54.796 58.000 -0.015 0.000 1.065 11 F CB 1.300 40.306 39.000 0.009 0.000 1.184 11 F HN -0.148 nan 8.300 nan 0.000 0.499 12 P HA 0.005 nan 4.420 nan 0.000 0.271 12 P C -0.391 176.988 177.300 0.131 0.000 1.216 12 P CA -0.182 62.980 63.100 0.103 0.000 0.776 12 P CB 1.053 32.777 31.700 0.040 0.000 0.881 13 S N 1.900 117.682 115.700 0.137 0.000 2.516 13 S HA 0.204 4.674 4.470 -0.000 0.000 0.282 13 S C -0.160 174.525 174.600 0.142 0.000 1.286 13 S CA -0.390 57.908 58.200 0.164 0.000 1.066 13 S CB -0.431 62.863 63.200 0.156 0.000 0.884 13 S HN 0.214 nan 8.310 nan 0.000 0.491 14 V N 6.478 126.499 119.914 0.179 0.000 2.540 14 V HA 0.636 4.756 4.120 -0.000 0.000 0.302 14 V C -0.071 176.115 176.094 0.154 0.000 1.035 14 V CA -0.680 61.714 62.300 0.156 0.000 0.873 14 V CB 1.630 33.580 31.823 0.213 0.000 0.992 14 V HN 0.833 nan 8.190 nan 0.000 0.428 15 V N 2.670 122.642 119.914 0.096 0.000 2.914 15 V HA 0.776 4.896 4.120 -0.000 0.000 0.314 15 V C -0.512 175.608 176.094 0.045 0.000 1.084 15 V CA -0.886 61.444 62.300 0.051 0.000 0.963 15 V CB 2.010 33.791 31.823 -0.071 0.000 1.025 15 V HN 0.468 nan 8.190 nan 0.000 0.432 16 V N 3.233 123.172 119.914 0.042 0.000 2.383 16 V HA 0.429 4.549 4.120 -0.000 0.000 0.275 16 V C 1.269 177.340 176.094 -0.040 0.000 1.036 16 V CA 0.598 62.919 62.300 0.036 0.000 0.889 16 V CB 0.817 32.678 31.823 0.063 0.000 0.985 16 V HN 1.174 nan 8.190 nan 0.000 0.459 17 T N 0.529 115.058 114.554 -0.041 0.000 2.985 17 T HA 0.635 4.985 4.350 -0.000 0.000 0.254 17 T C 0.349 175.004 174.700 -0.074 0.000 1.021 17 T CA 0.473 62.526 62.100 -0.079 0.000 0.957 17 T CB 0.648 69.467 68.868 -0.081 0.000 1.047 17 T HN 1.008 nan 8.240 nan 0.000 0.511 18 A N 1.031 123.823 122.820 -0.048 0.000 2.589 18 A HA 0.733 5.053 4.320 -0.000 0.000 0.296 18 A C -1.158 176.410 177.584 -0.026 0.000 1.062 18 A CA -0.660 51.350 52.037 -0.045 0.000 0.686 18 A CB 1.566 20.539 19.000 -0.046 0.000 1.282 18 A HN 0.984 nan 8.150 nan 0.000 0.404 19 V N -1.484 118.406 119.914 -0.039 0.000 2.925 19 V HA 0.984 5.104 4.120 -0.000 0.000 0.311 19 V C -0.490 175.590 176.094 -0.025 0.000 1.104 19 V CA -0.177 62.099 62.300 -0.040 0.000 0.954 19 V CB 1.453 33.222 31.823 -0.091 0.000 1.022 19 V HN 1.527 nan 8.190 nan 0.000 0.427 20 T N 1.886 116.434 114.554 -0.010 0.000 2.933 20 T HA 0.875 5.225 4.350 -0.000 0.000 0.305 20 T C -0.830 173.870 174.700 -0.000 0.000 1.092 20 T CA 0.358 62.456 62.100 -0.002 0.000 1.008 20 T CB 1.504 70.380 68.868 0.013 0.000 1.102 20 T HN 2.124 nan 8.240 nan 0.000 0.469 21 A N 2.221 125.044 122.820 0.005 0.000 2.574 21 A HA 0.756 5.076 4.320 -0.000 0.000 0.297 21 A C -0.583 177.019 177.584 0.030 0.000 1.062 21 A CA -0.682 51.365 52.037 0.017 0.000 0.686 21 A CB 2.049 21.058 19.000 0.015 0.000 1.285 21 A HN 0.753 nan 8.150 nan 0.000 0.403 22 T N 1.160 115.738 114.554 0.040 0.000 2.792 22 T HA 0.743 5.093 4.350 -0.000 0.000 0.280 22 T C -0.018 174.728 174.700 0.076 0.000 0.990 22 T CA 0.494 62.630 62.100 0.059 0.000 0.960 22 T CB 0.583 69.487 68.868 0.060 0.000 0.939 22 T HN 1.640 nan 8.240 nan 0.000 0.439 23 T N 0.335 114.942 114.554 0.087 0.000 2.804 23 T HA 0.457 4.807 4.350 -0.000 0.000 0.290 23 T C 1.480 176.247 174.700 0.110 0.000 1.099 23 T CA -0.005 62.151 62.100 0.094 0.000 1.011 23 T CB 1.029 69.950 68.868 0.088 0.000 1.291 23 T HN 0.460 nan 8.240 nan 0.000 0.523 24 S N -0.212 115.555 115.700 0.113 0.000 2.453 24 S HA 0.033 4.503 4.470 -0.000 0.000 0.231 24 S C 1.804 176.480 174.600 0.126 0.000 1.005 24 S CA 0.398 58.680 58.200 0.136 0.000 0.949 24 S CB -0.882 62.393 63.200 0.126 0.000 0.774 24 S HN 0.620 nan 8.310 nan 0.000 0.510 25 I N 0.460 121.093 120.570 0.105 0.000 2.400 25 I HA 0.123 4.293 4.170 -0.000 0.000 0.248 25 I C 1.123 177.293 176.117 0.087 0.000 1.109 25 I CA 0.581 61.937 61.300 0.094 0.000 1.425 25 I CB 0.159 38.213 38.000 0.089 0.000 1.094 25 I HN 0.341 nan 8.210 nan 0.000 0.425 26 S N -0.963 114.791 115.700 0.090 0.000 2.558 26 S HA 0.282 4.752 4.470 -0.000 0.000 0.277 26 S C -2.328 172.322 174.600 0.083 0.000 1.143 26 S CA -0.897 57.352 58.200 0.083 0.000 0.865 26 S CB 1.689 64.936 63.200 0.078 0.000 1.102 26 S HN -0.175 nan 8.310 nan 0.000 0.454 27 P HA 0.111 nan 4.420 nan 0.000 0.237 27 P C -0.323 177.010 177.300 0.054 0.000 1.178 27 P CA 0.524 63.670 63.100 0.075 0.000 0.766 27 P CB -0.064 31.693 31.700 0.095 0.000 0.876 28 D N 0.226 120.660 120.400 0.057 0.000 2.381 28 D HA 0.102 4.742 4.640 -0.000 0.000 0.235 28 D C 1.001 177.336 176.300 0.058 0.000 1.068 28 D CA -0.660 53.369 54.000 0.048 0.000 0.832 28 D CB 1.542 42.370 40.800 0.048 0.000 1.101 28 D HN -0.241 nan 8.370 nan 0.000 0.515 29 I N 4.126 124.722 120.570 0.043 0.000 2.264 29 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 29 I C 1.757 177.924 176.117 0.083 0.000 1.111 29 I CA 1.653 62.980 61.300 0.046 0.000 1.382 29 I CB 0.062 38.059 38.000 -0.004 0.000 1.060 29 I HN 0.408 nan 8.210 nan 0.000 0.418 30 E N 0.177 120.420 120.200 0.071 0.000 2.106 30 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 30 E C 2.336 179.031 176.600 0.158 0.000 0.984 30 E CA 1.434 57.904 56.400 0.117 0.000 0.806 30 E CB -0.405 29.342 29.700 0.078 0.000 0.750 30 E HN 0.502 nan 8.360 nan 0.000 0.458 31 S N 0.523 116.290 115.700 0.111 0.000 2.383 31 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 31 S C 2.116 176.785 174.600 0.115 0.000 1.026 31 S CA 1.306 59.565 58.200 0.099 0.000 0.981 31 S CB -0.298 62.946 63.200 0.073 0.000 0.818 31 S HN 0.273 nan 8.310 nan 0.000 0.472 32 T N 1.263 115.896 114.554 0.132 0.000 2.665 32 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 32 T C 1.308 176.134 174.700 0.210 0.000 1.035 32 T CA 1.258 63.447 62.100 0.150 0.000 1.151 32 T CB -0.341 68.616 68.868 0.148 0.000 0.862 32 T HN 0.614 nan 8.240 nan 0.000 0.438 33 W N 1.978 123.285 121.300 0.010 0.000 2.355 33 W HA -0.136 4.524 4.660 -0.000 0.000 0.309 33 W C 2.152 178.664 176.519 -0.010 0.000 1.206 33 W CA 1.028 58.370 57.345 -0.005 0.000 1.284 33 W CB -0.118 29.333 29.460 -0.015 0.000 1.145 33 W HN 0.246 nan 8.180 nan 0.000 0.502 34 K N -0.058 120.394 120.400 0.087 0.000 2.001 34 K HA -0.199 4.121 4.320 -0.000 0.000 0.214 34 K C 2.263 178.822 176.600 -0.067 0.000 1.050 34 K CA 1.855 58.120 56.287 -0.037 0.000 0.934 34 K CB -1.172 31.349 32.500 0.034 0.000 0.718 34 K HN 0.252 nan 8.250 nan 0.000 0.443 35 G N 1.794 110.592 108.800 -0.004 0.000 2.513 35 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 35 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 35 G C 1.544 176.421 174.900 -0.039 0.000 1.160 35 G CA 1.012 46.109 45.100 -0.004 0.000 0.767 35 G HN 0.129 nan 8.290 nan 0.000 0.571 36 L N -0.281 120.910 121.223 -0.054 0.000 2.017 36 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 36 L C 2.946 179.679 176.870 -0.228 0.000 1.073 36 L CA 0.658 55.444 54.840 -0.091 0.000 0.745 36 L CB -0.436 41.597 42.059 -0.044 0.000 0.894 36 L HN 0.192 nan 8.230 nan 0.000 0.432 37 L N -0.304 120.691 121.223 -0.381 0.000 2.131 37 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 37 L C 2.539 179.278 176.870 -0.218 0.000 1.092 37 L CA 0.993 55.585 54.840 -0.414 0.000 0.759 37 L CB -0.555 41.193 42.059 -0.519 0.000 0.903 37 L HN 0.229 nan 8.230 nan 0.000 0.435 38 A N -0.518 122.215 122.820 -0.146 0.000 2.235 38 A HA 0.265 4.585 4.320 -0.000 0.000 0.208 38 A C 1.722 179.275 177.584 -0.051 0.000 1.172 38 A CA 0.702 52.693 52.037 -0.076 0.000 0.786 38 A CB -0.560 18.411 19.000 -0.048 0.000 0.804 38 A HN 0.519 nan 8.150 nan 0.000 0.479 39 G N -0.423 108.341 108.800 -0.060 0.000 2.143 39 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.248 39 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.248 39 G C -0.148 174.754 174.900 0.003 0.000 0.991 39 G CA 0.337 45.423 45.100 -0.023 0.000 0.689 39 G HN 0.661 nan 8.290 nan 0.000 0.522 40 E N 0.251 120.453 120.200 0.003 0.000 2.390 40 E HA 0.480 4.830 4.350 -0.000 0.000 0.261 40 E C 0.296 176.920 176.600 0.040 0.000 1.076 40 E CA 0.412 56.826 56.400 0.023 0.000 0.905 40 E CB 1.177 30.892 29.700 0.025 0.000 0.984 40 E HN 0.203 nan 8.360 nan 0.000 0.427 41 S N 0.259 115.987 115.700 0.048 0.000 2.503 41 S HA 0.482 4.952 4.470 -0.000 0.000 0.301 41 S C 0.567 175.209 174.600 0.070 0.000 1.087 41 S CA -0.443 57.790 58.200 0.055 0.000 1.042 41 S CB 1.483 64.712 63.200 0.048 0.000 1.043 41 S HN 0.593 nan 8.310 nan 0.000 0.489 42 G N 2.937 111.781 108.800 0.074 0.000 3.042 42 G HA2 0.195 4.155 3.960 -0.000 0.000 0.212 42 G HA3 0.195 4.155 3.960 -0.000 0.000 0.212 42 G C 0.230 175.195 174.900 0.109 0.000 1.166 42 G CA -0.065 45.096 45.100 0.101 0.000 0.767 42 G HN 0.602 nan 8.290 nan 0.000 0.546 43 I N 2.112 122.714 120.570 0.053 0.000 2.395 43 I HA 0.365 4.535 4.170 -0.000 0.000 0.289 43 I C 0.362 176.494 176.117 0.026 0.000 1.023 43 I CA -0.871 60.413 61.300 -0.027 0.000 1.350 43 I CB 0.231 38.211 38.000 -0.035 0.000 1.409 43 I HN 0.410 nan 8.210 nan 0.000 0.507 44 H N 3.182 122.255 119.070 0.004 0.000 2.960 44 H HA 0.856 5.412 4.556 -0.000 0.000 0.303 44 H C -0.719 174.609 175.328 -0.001 0.000 1.412 44 H CA -1.189 54.864 56.048 0.008 0.000 1.227 44 H CB 0.872 30.647 29.762 0.022 0.000 1.912 44 H HN 0.582 nan 8.280 nan 0.000 0.583 45 A N 1.263 124.207 122.820 0.207 0.000 2.366 45 A HA 0.407 4.727 4.320 -0.000 0.000 0.272 45 A C -0.145 177.558 177.584 0.198 0.000 1.135 45 A CA -0.719 51.392 52.037 0.124 0.000 0.804 45 A CB -0.335 18.721 19.000 0.093 0.000 1.064 45 A HN 0.581 nan 8.150 nan 0.000 0.499 46 L N 2.285 123.553 121.223 0.076 0.000 2.455 46 L HA 0.179 4.518 4.340 -0.000 0.000 0.272 46 L C 0.741 177.640 176.870 0.048 0.000 1.174 46 L CA 0.054 54.940 54.840 0.076 0.000 0.869 46 L CB 0.475 42.550 42.059 0.025 0.000 1.130 46 L HN 0.762 nan 8.230 nan 0.000 0.474 47 E N 0.820 121.045 120.200 0.041 0.000 2.641 47 E HA 0.091 4.441 4.350 -0.000 0.000 0.224 47 E C -0.604 175.933 176.600 -0.104 0.000 0.951 47 E CA -0.115 56.275 56.400 -0.017 0.000 1.102 47 E CB 0.439 30.146 29.700 0.011 0.000 1.091 47 E HN 0.673 nan 8.360 nan 0.000 0.507 48 D N 1.954 122.226 120.400 -0.214 0.000 2.520 48 D HA -0.064 4.576 4.640 -0.000 0.000 0.243 48 D C 1.225 177.262 176.300 -0.438 0.000 1.160 48 D CA 0.305 54.038 54.000 -0.444 0.000 0.877 48 D CB 0.829 41.019 40.800 -1.018 0.000 1.150 48 D HN -0.168 nan 8.370 nan 0.000 0.494 49 E N 2.095 122.173 120.200 -0.203 0.000 2.233 49 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 49 E C 1.405 177.987 176.600 -0.030 0.000 1.004 49 E CA 0.870 57.215 56.400 -0.091 0.000 0.819 49 E CB -0.222 29.452 29.700 -0.042 0.000 0.738 49 E HN 0.691 nan 8.360 nan 0.000 0.478 50 F N -1.501 118.488 119.950 0.065 0.000 2.529 50 F HA -0.061 4.466 4.527 -0.000 0.000 0.297 50 F C 1.592 177.503 175.800 0.184 0.000 1.114 50 F CA 0.360 58.425 58.000 0.109 0.000 1.467 50 F CB -1.093 38.123 39.000 0.360 0.000 1.096 50 F HN -0.107 nan 8.300 nan 0.000 0.586 51 V N 1.214 121.255 119.914 0.213 0.000 2.270 51 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 51 V C 2.715 178.938 176.094 0.216 0.000 1.043 51 V CA 2.515 64.980 62.300 0.274 0.000 1.014 51 V CB -1.308 30.572 31.823 0.094 0.000 0.645 51 V HN 0.622 nan 8.190 nan 0.000 0.447 52 T N -1.715 112.903 114.554 0.107 0.000 3.014 52 T HA -0.146 4.204 4.350 -0.000 0.000 0.263 52 T C 1.833 176.554 174.700 0.036 0.000 1.078 52 T CA 1.259 63.400 62.100 0.068 0.000 1.135 52 T CB -0.216 68.667 68.868 0.025 0.000 0.895 52 T HN 0.446 nan 8.240 nan 0.000 0.480 53 K N 0.328 120.721 120.400 -0.012 0.000 2.074 53 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 53 K C 1.266 177.675 176.600 -0.318 0.000 1.048 53 K CA 1.609 57.767 56.287 -0.216 0.000 0.926 53 K CB -0.269 32.035 32.500 -0.327 0.000 0.713 53 K HN 0.618 nan 8.250 nan 0.000 0.444 54 W N 1.257 122.637 121.300 0.133 0.000 3.220 54 W HA 0.147 4.807 4.660 -0.000 0.000 0.328 54 W C -0.263 176.301 176.519 0.075 0.000 1.205 54 W CA -0.767 56.630 57.345 0.087 0.000 1.773 54 W CB 0.370 29.870 29.460 0.067 0.000 1.086 54 W HN 0.107 nan 8.180 nan 0.000 0.622 55 D N 2.022 122.569 120.400 0.244 0.000 2.982 55 D HA -0.198 4.442 4.640 -0.000 0.000 0.207 55 D C -0.104 176.309 176.300 0.188 0.000 1.258 55 D CA 0.802 54.907 54.000 0.174 0.000 0.758 55 D CB -0.685 40.182 40.800 0.112 0.000 0.886 55 D HN 0.136 nan 8.370 nan 0.000 0.389 56 L N 0.607 121.968 121.223 0.229 0.000 2.426 56 L HA 0.268 4.608 4.340 -0.000 0.000 0.271 56 L C 1.959 178.896 176.870 0.112 0.000 1.169 56 L CA -0.042 54.904 54.840 0.177 0.000 0.836 56 L CB 0.787 42.987 42.059 0.235 0.000 1.112 56 L HN 0.275 nan 8.230 nan 0.000 0.465 57 A N 3.447 126.308 122.820 0.068 0.000 2.014 57 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 57 A C 0.777 178.372 177.584 0.019 0.000 1.163 57 A CA 0.476 52.533 52.037 0.034 0.000 0.652 57 A CB -0.046 18.961 19.000 0.012 0.000 0.808 57 A HN 0.416 nan 8.150 nan 0.000 0.449 58 V N 0.672 120.598 119.914 0.021 0.000 2.432 58 V HA 0.246 4.366 4.120 -0.000 0.000 0.275 58 V C 0.335 176.463 176.094 0.057 0.000 1.043 58 V CA -0.136 62.164 62.300 0.000 0.000 0.925 58 V CB 1.126 32.917 31.823 -0.052 0.000 0.985 58 V HN 0.441 nan 8.190 nan 0.000 0.466 59 K N 5.131 125.551 120.400 0.034 0.000 2.619 59 K HA 0.425 4.745 4.320 -0.000 0.000 0.201 59 K C -0.322 176.288 176.600 0.016 0.000 1.090 59 K CA -0.088 56.230 56.287 0.051 0.000 1.063 59 K CB 0.662 33.190 32.500 0.047 0.000 0.810 59 K HN 0.755 nan 8.250 nan 0.000 0.506 60 I N -3.365 117.195 120.570 -0.016 0.000 3.002 60 I HA 0.874 5.044 4.170 -0.000 0.000 0.310 60 I C -0.136 175.911 176.117 -0.117 0.000 1.087 60 I CA -1.028 60.230 61.300 -0.070 0.000 1.017 60 I CB 2.399 40.360 38.000 -0.066 0.000 1.226 60 I HN 0.008 nan 8.210 nan 0.000 0.443 61 G N 1.120 109.766 108.800 -0.257 0.000 2.313 61 G HA2 0.492 4.452 3.960 -0.000 0.000 0.296 61 G HA3 0.492 4.452 3.960 -0.000 0.000 0.296 61 G C -1.487 173.064 174.900 -0.580 0.000 1.356 61 G CA -0.295 44.639 45.100 -0.277 0.000 0.833 61 G HN 1.038 nan 8.290 nan 0.000 0.552 62 G N 0.009 108.596 108.800 -0.356 0.000 2.660 62 G HA2 0.584 4.544 3.960 -0.000 0.000 0.305 62 G HA3 0.584 4.544 3.960 -0.000 0.000 0.305 62 G C -0.427 174.424 174.900 -0.082 0.000 1.329 62 G CA -0.504 44.438 45.100 -0.264 0.000 1.000 62 G HN 0.606 nan 8.290 nan 0.000 0.514 63 H N 1.721 120.937 119.070 0.244 0.000 2.690 63 H HA 0.112 4.668 4.556 0.000 0.000 0.365 63 H C 0.967 176.406 175.328 0.185 0.000 1.142 63 H CA -0.055 56.121 56.048 0.215 0.000 1.417 63 H CB 1.337 31.241 29.762 0.237 0.000 1.446 63 H HN 0.271 nan 8.280 nan 0.000 0.599 64 L N 2.197 123.586 121.223 0.276 0.000 2.578 64 L HA -0.143 4.197 4.340 -0.000 0.000 0.279 64 L C 1.813 178.788 176.870 0.177 0.000 1.227 64 L CA 0.115 55.074 54.840 0.198 0.000 0.900 64 L CB 0.298 42.469 42.059 0.186 0.000 1.144 64 L HN 0.569 nan 8.230 nan 0.000 0.496 65 K N 1.939 122.424 120.400 0.141 0.000 2.063 65 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 65 K C 0.308 176.960 176.600 0.087 0.000 1.048 65 K CA 1.394 57.744 56.287 0.104 0.000 0.928 65 K CB 0.011 32.566 32.500 0.091 0.000 0.713 65 K HN 0.589 nan 8.250 nan 0.000 0.442 66 D N 0.114 120.578 120.400 0.107 0.000 2.462 66 D HA 0.266 4.906 4.640 -0.000 0.000 0.245 66 D C -2.742 173.637 176.300 0.132 0.000 1.122 66 D CA -2.707 51.358 54.000 0.109 0.000 0.864 66 D CB 1.211 42.102 40.800 0.152 0.000 1.098 66 D HN -0.092 nan 8.370 nan 0.000 0.541 67 P HA 0.045 nan 4.420 nan 0.000 0.275 67 P C 1.100 178.484 177.300 0.139 0.000 1.227 67 P CA -0.559 62.610 63.100 0.116 0.000 0.781 67 P CB 1.331 33.069 31.700 0.063 0.000 0.906 68 V N 1.925 121.946 119.914 0.178 0.000 2.332 68 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 68 V C 1.426 177.593 176.094 0.122 0.000 1.055 68 V CA 2.067 64.450 62.300 0.138 0.000 1.038 68 V CB -0.918 30.845 31.823 -0.099 0.000 0.651 68 V HN 0.546 nan 8.190 nan 0.000 0.450 69 D N 0.068 120.529 120.400 0.101 0.000 2.350 69 D HA -0.082 4.558 4.640 -0.000 0.000 0.216 69 D C 2.271 178.576 176.300 0.009 0.000 0.968 69 D CA 1.302 55.343 54.000 0.068 0.000 0.894 69 D CB -0.175 40.688 40.800 0.105 0.000 0.909 69 D HN 0.609 nan 8.370 nan 0.000 0.520 70 S N -0.733 114.932 115.700 -0.059 0.000 2.547 70 S HA -0.133 4.337 4.470 -0.000 0.000 0.235 70 S C 1.066 175.482 174.600 -0.307 0.000 0.980 70 S CA 0.632 58.715 58.200 -0.196 0.000 0.941 70 S CB -0.399 62.639 63.200 -0.268 0.000 0.763 70 S HN 0.367 nan 8.310 nan 0.000 0.532 71 H N -0.145 118.930 119.070 0.007 0.000 2.592 71 H HA 0.460 5.016 4.556 -0.000 0.000 0.279 71 H C -0.189 175.137 175.328 -0.003 0.000 1.089 71 H CA -0.330 55.719 56.048 0.002 0.000 1.150 71 H CB 0.303 30.064 29.762 -0.003 0.000 1.575 71 H HN 0.311 nan 8.280 nan 0.000 0.547 72 M N 1.025 120.670 119.600 0.074 0.000 2.294 72 M HA 0.380 4.860 4.480 -0.000 0.000 0.335 72 M C 0.737 177.055 176.300 0.030 0.000 1.079 72 M CA -0.417 54.912 55.300 0.048 0.000 0.982 72 M CB 1.682 34.303 32.600 0.034 0.000 1.651 72 M HN 0.271 nan 8.290 nan 0.000 0.437 73 G N 1.942 110.758 108.800 0.026 0.000 2.535 73 G HA2 0.463 4.423 3.960 -0.000 0.000 0.303 73 G HA3 0.463 4.423 3.960 -0.000 0.000 0.303 73 G C 0.727 175.637 174.900 0.017 0.000 1.237 73 G CA -0.484 44.627 45.100 0.019 0.000 0.986 73 G HN 0.790 nan 8.290 nan 0.000 0.494 74 R N -0.988 119.521 120.500 0.014 0.000 2.103 74 R HA -0.074 4.266 4.340 -0.000 0.000 0.242 74 R C 2.506 178.814 176.300 0.013 0.000 1.142 74 R CA 1.166 57.274 56.100 0.014 0.000 0.960 74 R CB -0.353 29.954 30.300 0.012 0.000 0.858 74 R HN 0.432 nan 8.270 nan 0.000 0.439 75 L N 0.279 121.508 121.223 0.011 0.000 2.072 75 L HA -0.171 4.169 4.340 -0.000 0.000 0.205 75 L C 1.777 178.652 176.870 0.008 0.000 1.079 75 L CA 1.056 55.901 54.840 0.009 0.000 0.752 75 L CB -0.476 41.586 42.059 0.006 0.000 0.906 75 L HN 0.164 nan 8.230 nan 0.000 0.436 76 D N -0.071 120.334 120.400 0.008 0.000 2.117 76 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 76 D C 2.286 178.594 176.300 0.012 0.000 0.987 76 D CA 1.243 55.246 54.000 0.006 0.000 0.829 76 D CB -0.063 40.739 40.800 0.004 0.000 0.961 76 D HN 0.181 nan 8.370 nan 0.000 0.460 77 M N 0.016 119.628 119.600 0.020 0.000 2.229 77 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 77 M C 2.089 178.407 176.300 0.030 0.000 1.063 77 M CA 1.036 56.354 55.300 0.030 0.000 1.114 77 M CB -0.606 32.013 32.600 0.032 0.000 1.387 77 M HN -0.050 nan 8.290 nan 0.000 0.420 78 R N -0.422 120.091 120.500 0.022 0.000 2.100 78 R HA 0.052 4.392 4.340 -0.000 0.000 0.220 78 R C 1.877 178.188 176.300 0.018 0.000 1.091 78 R CA 0.855 56.967 56.100 0.021 0.000 0.986 78 R CB 0.243 30.552 30.300 0.016 0.000 0.888 78 R HN 0.293 nan 8.270 nan 0.000 0.444 79 R N -1.153 119.355 120.500 0.014 0.000 2.397 79 R HA 0.301 4.641 4.340 -0.000 0.000 0.241 79 R C -0.018 176.287 176.300 0.008 0.000 0.914 79 R CA 0.110 56.215 56.100 0.009 0.000 1.071 79 R CB 0.748 31.051 30.300 0.004 0.000 1.116 79 R HN 0.062 nan 8.270 nan 0.000 0.524 80 M N 0.364 119.971 119.600 0.011 0.000 2.530 80 M HA 0.265 4.745 4.480 -0.000 0.000 0.307 80 M C -0.092 176.224 176.300 0.027 0.000 1.161 80 M CA -0.760 54.545 55.300 0.008 0.000 0.903 80 M CB 2.428 35.023 32.600 -0.007 0.000 1.711 80 M HN -0.051 nan 8.290 nan 0.000 0.451 81 S N 0.459 116.179 115.700 0.032 0.000 2.624 81 S HA 0.157 4.627 4.470 -0.000 0.000 0.263 81 S C 0.724 175.376 174.600 0.087 0.000 1.287 81 S CA -0.475 57.766 58.200 0.068 0.000 0.990 81 S CB 0.634 63.873 63.200 0.064 0.000 0.950 81 S HN 0.783 nan 8.310 nan 0.000 0.561 82 Y N 1.711 122.019 120.300 0.013 0.000 2.114 82 Y HA -0.210 4.339 4.550 -0.000 0.000 0.282 82 Y C 2.272 178.179 175.900 0.012 0.000 1.165 82 Y CA 2.443 60.552 58.100 0.016 0.000 1.148 82 Y CB -0.760 37.710 38.460 0.018 0.000 0.972 82 Y HN 0.543 nan 8.280 nan 0.000 0.504 83 V N -1.279 118.729 119.914 0.157 0.000 2.490 83 V HA -0.285 3.835 4.120 -0.000 0.000 0.250 83 V C 1.852 177.915 176.094 -0.050 0.000 1.061 83 V CA 2.090 64.421 62.300 0.052 0.000 1.064 83 V CB -1.025 30.852 31.823 0.091 0.000 0.670 83 V HN 0.518 nan 8.190 nan 0.000 0.461 84 Q N 0.240 120.018 119.800 -0.038 0.000 2.079 84 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 84 Q C 2.550 178.496 176.000 -0.090 0.000 0.974 84 Q CA 1.712 57.484 55.803 -0.052 0.000 0.840 84 Q CB -0.222 28.498 28.738 -0.029 0.000 0.898 84 Q HN 0.646 nan 8.270 nan 0.000 0.430 85 R N 0.479 120.904 120.500 -0.126 0.000 2.083 85 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 85 R C 2.328 178.509 176.300 -0.198 0.000 1.137 85 R CA 1.619 57.627 56.100 -0.152 0.000 0.951 85 R CB -0.484 29.714 30.300 -0.169 0.000 0.851 85 R HN 0.327 nan 8.270 nan 0.000 0.434 86 M N 0.613 120.018 119.600 -0.326 0.000 2.108 86 M HA -0.128 4.352 4.480 -0.000 0.000 0.261 86 M C 2.115 178.335 176.300 -0.132 0.000 1.066 86 M CA 2.227 57.367 55.300 -0.267 0.000 1.107 86 M CB -0.431 31.976 32.600 -0.321 0.000 1.356 86 M HN 0.255 nan 8.290 nan 0.000 0.406 87 G N 0.482 109.218 108.800 -0.105 0.000 2.459 87 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 87 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 87 G C 1.526 176.390 174.900 -0.059 0.000 1.183 87 G CA 1.247 46.309 45.100 -0.064 0.000 0.776 87 G HN 0.550 nan 8.290 nan 0.000 0.552 88 K N -0.262 120.098 120.400 -0.067 0.000 2.020 88 K HA -0.115 4.205 4.320 -0.000 0.000 0.212 88 K C 2.481 179.049 176.600 -0.054 0.000 1.050 88 K CA 1.509 57.761 56.287 -0.058 0.000 0.929 88 K CB -0.339 32.128 32.500 -0.055 0.000 0.714 88 K HN 0.244 nan 8.250 nan 0.000 0.443 89 L N 1.578 122.759 121.223 -0.070 0.000 1.990 89 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 89 L C 2.117 178.948 176.870 -0.066 0.000 1.072 89 L CA 1.674 56.463 54.840 -0.085 0.000 0.755 89 L CB -0.391 41.601 42.059 -0.112 0.000 0.889 89 L HN 0.258 nan 8.230 nan 0.000 0.432 90 L N -1.076 120.117 121.223 -0.050 0.000 2.093 90 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 90 L C 2.547 179.425 176.870 0.014 0.000 1.085 90 L CA 1.079 55.908 54.840 -0.019 0.000 0.755 90 L CB -1.485 40.567 42.059 -0.011 0.000 0.904 90 L HN 0.480 nan 8.230 nan 0.000 0.435 91 G N 0.065 108.869 108.800 0.007 0.000 2.421 91 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 91 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 91 G C 1.596 176.540 174.900 0.072 0.000 1.171 91 G CA 0.767 45.886 45.100 0.031 0.000 0.775 91 G HN 0.469 nan 8.290 nan 0.000 0.543 92 G N 0.126 108.949 108.800 0.039 0.000 2.418 92 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 92 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 92 G C 1.820 176.780 174.900 0.100 0.000 1.158 92 G CA 1.070 46.214 45.100 0.073 0.000 0.771 92 G HN 0.515 nan 8.290 nan 0.000 0.545 93 Q N -0.621 119.207 119.800 0.047 0.000 2.079 93 Q HA -0.015 4.325 4.340 -0.000 0.000 0.200 93 Q C 2.496 178.536 176.000 0.067 0.000 0.974 93 Q CA 1.018 56.841 55.803 0.033 0.000 0.840 93 Q CB -0.264 28.469 28.738 -0.009 0.000 0.898 93 Q HN 0.417 nan 8.270 nan 0.000 0.430 94 L N 0.185 121.467 121.223 0.098 0.000 1.989 94 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 94 L C 1.973 178.955 176.870 0.186 0.000 1.071 94 L CA 1.788 56.704 54.840 0.126 0.000 0.749 94 L CB -0.588 41.566 42.059 0.157 0.000 0.890 94 L HN 0.391 nan 8.230 nan 0.000 0.431 95 W N 0.618 121.917 121.300 -0.001 0.000 2.335 95 W HA -0.295 4.365 4.660 0.000 0.000 0.311 95 W C 2.508 179.017 176.519 -0.018 0.000 1.213 95 W CA 1.865 59.205 57.345 -0.008 0.000 1.274 95 W CB -0.054 29.410 29.460 0.007 0.000 1.148 95 W HN 0.445 nan 8.180 nan 0.000 0.498 96 E N 0.054 120.331 120.200 0.128 0.000 2.070 96 E HA -0.236 4.114 4.350 -0.000 0.000 0.197 96 E C 2.133 178.705 176.600 -0.048 0.000 1.004 96 E CA 2.219 58.630 56.400 0.017 0.000 0.805 96 E CB -0.543 29.183 29.700 0.043 0.000 0.744 96 E HN -0.058 nan 8.360 nan 0.000 0.451 97 S N -0.291 115.393 115.700 -0.028 0.000 2.400 97 S HA -0.149 4.321 4.470 -0.000 0.000 0.232 97 S C 1.737 176.277 174.600 -0.100 0.000 1.025 97 S CA 1.001 59.172 58.200 -0.049 0.000 0.993 97 S CB -0.184 63.000 63.200 -0.026 0.000 0.808 97 S HN 0.504 nan 8.310 nan 0.000 0.478 98 A N -0.207 122.516 122.820 -0.161 0.000 2.251 98 A HA 0.498 4.818 4.320 -0.000 0.000 0.209 98 A C 1.497 178.901 177.584 -0.300 0.000 1.187 98 A CA 0.809 52.698 52.037 -0.247 0.000 0.823 98 A CB -0.463 18.328 19.000 -0.349 0.000 0.846 98 A HN 0.885 nan 8.150 nan 0.000 0.486 99 G N -1.455 107.187 108.800 -0.263 0.000 2.134 99 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.209 99 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.209 99 G C 0.386 175.118 174.900 -0.280 0.000 0.993 99 G CA 0.199 45.166 45.100 -0.222 0.000 0.669 99 G HN 1.254 nan 8.290 nan 0.000 0.519 100 S N -0.205 115.241 115.700 -0.423 0.000 3.524 100 S HA -0.139 4.331 4.470 -0.000 0.000 0.377 100 S C -1.405 172.912 174.600 -0.472 0.000 0.949 100 S CA 0.962 58.859 58.200 -0.505 0.000 1.264 100 S CB -0.933 62.219 63.200 -0.080 0.000 0.918 100 S HN 0.844 nan 8.310 nan 0.000 0.517 101 P HA 0.205 nan 4.420 nan 0.000 0.267 101 P C 0.057 177.294 177.300 -0.105 0.000 1.200 101 P CA 0.124 62.976 63.100 -0.414 0.000 0.772 101 P CB 0.464 31.847 31.700 -0.527 0.000 0.855 102 E N 1.739 121.925 120.200 -0.024 0.000 2.044 102 E HA 0.224 4.574 4.350 -0.000 0.000 0.282 102 E C 0.104 176.740 176.600 0.059 0.000 1.031 102 E CA -0.406 56.036 56.400 0.070 0.000 0.824 102 E CB 0.775 30.501 29.700 0.044 0.000 1.076 102 E HN 0.249 nan 8.360 nan 0.000 0.395 103 V N -0.284 119.702 119.914 0.119 0.000 3.093 103 V HA 0.416 4.536 4.120 -0.000 0.000 0.320 103 V C 0.306 176.478 176.094 0.129 0.000 1.093 103 V CA -1.137 61.237 62.300 0.124 0.000 1.016 103 V CB 1.905 33.774 31.823 0.076 0.000 1.096 103 V HN 0.294 nan 8.190 nan 0.000 0.452 104 D N 2.992 123.481 120.400 0.149 0.000 2.342 104 D HA 0.271 4.911 4.640 -0.000 0.000 0.260 104 D C -1.240 175.165 176.300 0.175 0.000 1.278 104 D CA -1.967 52.113 54.000 0.134 0.000 0.910 104 D CB 1.555 42.427 40.800 0.121 0.000 1.079 104 D HN 0.454 nan 8.370 nan 0.000 0.496 105 P HA -0.152 nan 4.420 nan 0.000 0.217 105 P C 0.452 177.853 177.300 0.169 0.000 1.148 105 P CA 0.881 64.119 63.100 0.230 0.000 0.828 105 P CB 0.431 32.215 31.700 0.141 0.000 0.783 106 D N -0.811 119.655 120.400 0.110 0.000 2.378 106 D HA -0.039 4.601 4.640 -0.000 0.000 0.227 106 D C 1.279 177.625 176.300 0.077 0.000 1.012 106 D CA 0.604 54.646 54.000 0.071 0.000 0.905 106 D CB -0.095 40.735 40.800 0.050 0.000 0.895 106 D HN 0.158 nan 8.370 nan 0.000 0.532 107 R N 0.094 120.666 120.500 0.120 0.000 2.629 107 R HA 0.149 4.489 4.340 -0.000 0.000 0.386 107 R C -0.449 175.950 176.300 0.166 0.000 1.071 107 R CA -0.452 55.710 56.100 0.103 0.000 1.104 107 R CB 0.215 30.567 30.300 0.086 0.000 1.370 107 R HN 0.000 nan 8.270 nan 0.000 0.574 108 F N 1.389 121.333 119.950 -0.009 0.000 2.460 108 F HA 0.681 5.208 4.527 -0.000 0.000 0.341 108 F C -1.001 174.784 175.800 -0.026 0.000 1.130 108 F CA -2.187 55.807 58.000 -0.010 0.000 0.962 108 F CB 1.172 40.183 39.000 0.019 0.000 1.171 108 F HN 0.019 nan 8.300 nan 0.000 0.436 109 A N 5.001 127.815 122.820 -0.009 0.000 2.330 109 A HA 0.862 5.182 4.320 -0.000 0.000 0.329 109 A C -1.591 175.830 177.584 -0.272 0.000 1.135 109 A CA -0.697 51.229 52.037 -0.185 0.000 0.817 109 A CB 1.627 20.596 19.000 -0.052 0.000 1.269 109 A HN 0.547 nan 8.150 nan 0.000 0.469 110 V N 1.299 121.053 119.914 -0.267 0.000 2.540 110 V HA 0.531 4.651 4.120 -0.000 0.000 0.302 110 V C -0.842 175.199 176.094 -0.089 0.000 1.035 110 V CA -0.377 61.811 62.300 -0.187 0.000 0.873 110 V CB 1.711 33.379 31.823 -0.259 0.000 0.992 110 V HN 0.660 nan 8.190 nan 0.000 0.428 111 V N 5.527 125.425 119.914 -0.027 0.000 2.419 111 V HA 0.520 4.640 4.120 -0.000 0.000 0.287 111 V C -0.640 175.460 176.094 0.010 0.000 1.017 111 V CA -0.496 61.803 62.300 -0.003 0.000 0.844 111 V CB 1.746 33.595 31.823 0.043 0.000 1.011 111 V HN 0.568 nan 8.190 nan 0.000 0.429 112 V N 3.723 123.633 119.914 -0.007 0.000 2.482 112 V HA 0.759 4.879 4.120 -0.000 0.000 0.295 112 V C 0.695 176.789 176.094 -0.000 0.000 1.026 112 V CA -0.300 62.000 62.300 0.001 0.000 0.856 112 V CB 1.913 33.729 31.823 -0.010 0.000 1.001 112 V HN 0.869 nan 8.190 nan 0.000 0.424 113 G N 3.071 111.878 108.800 0.011 0.000 2.477 113 G HA2 0.755 4.715 3.960 -0.000 0.000 0.304 113 G HA3 0.755 4.715 3.960 -0.000 0.000 0.304 113 G C -0.425 174.481 174.900 0.009 0.000 1.175 113 G CA -0.209 44.895 45.100 0.007 0.000 0.907 113 G HN 0.676 nan 8.290 nan 0.000 0.509 114 T N -1.099 113.459 114.554 0.007 0.000 2.792 114 T HA 0.507 4.857 4.350 -0.000 0.000 0.303 114 T C 1.120 175.830 174.700 0.016 0.000 1.310 114 T CA 0.096 62.206 62.100 0.016 0.000 1.007 114 T CB 1.530 70.409 68.868 0.020 0.000 1.335 114 T HN 0.658 nan 8.240 nan 0.000 0.504 115 G N -0.450 108.365 108.800 0.024 0.000 2.411 115 G HA2 0.181 4.141 3.960 -0.000 0.000 0.213 115 G HA3 0.181 4.141 3.960 -0.000 0.000 0.213 115 G C 0.910 175.834 174.900 0.040 0.000 1.166 115 G CA 0.417 45.538 45.100 0.035 0.000 0.802 115 G HN 0.529 nan 8.290 nan 0.000 0.533 116 L N -2.001 119.243 121.223 0.034 0.000 2.658 116 L HA 0.480 4.820 4.340 -0.000 0.000 0.201 116 L C 1.211 178.093 176.870 0.021 0.000 1.050 116 L CA 0.843 55.701 54.840 0.029 0.000 0.893 116 L CB 0.831 42.909 42.059 0.032 0.000 1.503 116 L HN 0.484 nan 8.230 nan 0.000 0.485 117 G N -0.564 108.252 108.800 0.026 0.000 2.306 117 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.262 117 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.262 117 G C -0.001 174.922 174.900 0.037 0.000 1.263 117 G CA -0.418 44.698 45.100 0.025 0.000 1.088 117 G HN 0.301 nan 8.290 nan 0.000 0.489 118 G N 0.258 109.079 108.800 0.035 0.000 3.458 118 G HA2 0.626 4.586 3.960 -0.000 0.000 0.256 118 G HA3 0.626 4.586 3.960 -0.000 0.000 0.256 118 G C 1.116 176.036 174.900 0.033 0.000 0.938 118 G CA 1.318 46.446 45.100 0.047 0.000 1.890 118 G HN 1.768 nan 8.290 nan 0.000 0.639 119 A N 1.416 124.250 122.820 0.024 0.000 2.067 119 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 119 A C 2.247 179.835 177.584 0.007 0.000 1.158 119 A CA 1.476 53.517 52.037 0.007 0.000 0.661 119 A CB -0.041 18.957 19.000 -0.003 0.000 0.801 119 A HN 0.576 nan 8.150 nan 0.000 0.452 120 E N 0.504 120.713 120.200 0.015 0.000 2.160 120 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 120 E C 1.412 178.034 176.600 0.036 0.000 0.991 120 E CA 1.109 57.522 56.400 0.022 0.000 0.810 120 E CB -0.436 29.279 29.700 0.026 0.000 0.742 120 E HN 0.484 nan 8.360 nan 0.000 0.466 121 R N 0.380 120.903 120.500 0.039 0.000 2.193 121 R HA 0.185 4.525 4.340 -0.000 0.000 0.213 121 R C 2.509 178.836 176.300 0.044 0.000 1.055 121 R CA 0.464 56.590 56.100 0.042 0.000 0.995 121 R CB -0.515 29.808 30.300 0.039 0.000 0.893 121 R HN 0.351 nan 8.270 nan 0.000 0.459 122 I N 0.847 121.436 120.570 0.032 0.000 2.133 122 I HA -0.243 3.927 4.170 -0.000 0.000 0.238 122 I C 2.444 178.597 176.117 0.060 0.000 1.074 122 I CA 1.421 62.738 61.300 0.029 0.000 1.342 122 I CB -0.525 37.470 38.000 -0.009 0.000 1.053 122 I HN -0.067 nan 8.210 nan 0.000 0.404 123 V N -1.257 118.684 119.914 0.046 0.000 2.427 123 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 123 V C 2.241 178.422 176.094 0.145 0.000 1.051 123 V CA 1.914 64.273 62.300 0.098 0.000 1.048 123 V CB -0.874 30.982 31.823 0.055 0.000 0.666 123 V HN 0.516 nan 8.190 nan 0.000 0.456 124 E N 1.029 121.285 120.200 0.094 0.000 2.031 124 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 124 E C 2.298 178.948 176.600 0.084 0.000 0.994 124 E CA 1.889 58.337 56.400 0.081 0.000 0.800 124 E CB -0.193 29.543 29.700 0.059 0.000 0.752 124 E HN 0.705 nan 8.360 nan 0.000 0.447 125 S N -0.228 115.525 115.700 0.089 0.000 2.382 125 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 125 S C 1.583 176.248 174.600 0.109 0.000 1.027 125 S CA 1.180 59.428 58.200 0.080 0.000 0.991 125 S CB -0.515 62.727 63.200 0.071 0.000 0.823 125 S HN 0.437 nan 8.310 nan 0.000 0.469 126 Y N 2.641 122.946 120.300 0.008 0.000 2.070 126 Y HA -0.265 4.285 4.550 0.000 0.000 0.280 126 Y C 2.070 177.976 175.900 0.009 0.000 1.148 126 Y CA 1.956 60.061 58.100 0.007 0.000 1.125 126 Y CB -0.335 38.128 38.460 0.005 0.000 0.975 126 Y HN 0.150 nan 8.280 nan 0.000 0.492 127 D N 0.414 120.822 120.400 0.012 0.000 2.104 127 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 127 D C 2.290 178.541 176.300 -0.081 0.000 0.994 127 D CA 1.781 55.733 54.000 -0.080 0.000 0.830 127 D CB -0.536 40.280 40.800 0.027 0.000 0.959 127 D HN 0.419 nan 8.370 nan 0.000 0.452 128 L N 0.123 121.331 121.223 -0.026 0.000 2.012 128 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 128 L C 2.606 179.451 176.870 -0.043 0.000 1.073 128 L CA 1.013 55.840 54.840 -0.022 0.000 0.748 128 L CB -0.298 41.763 42.059 0.003 0.000 0.891 128 L HN 0.064 nan 8.230 nan 0.000 0.431 129 M N -0.475 119.094 119.600 -0.051 0.000 2.175 129 M HA -0.170 4.310 4.480 -0.000 0.000 0.264 129 M C 1.902 178.146 176.300 -0.093 0.000 1.063 129 M CA 1.505 56.772 55.300 -0.054 0.000 1.119 129 M CB -0.102 32.478 32.600 -0.033 0.000 1.377 129 M HN 0.240 nan 8.290 nan 0.000 0.415 130 N N 0.831 119.429 118.700 -0.170 0.000 2.166 130 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 130 N C 1.597 177.039 175.510 -0.113 0.000 1.019 130 N CA 1.690 54.626 53.050 -0.190 0.000 0.856 130 N CB -0.340 37.945 38.487 -0.336 0.000 0.993 130 N HN 0.482 nan 8.380 nan 0.000 0.426 131 A N -0.498 122.269 122.820 -0.090 0.000 1.903 131 A HA 0.248 4.568 4.320 -0.000 0.000 0.213 131 A C 1.880 179.441 177.584 -0.038 0.000 1.185 131 A CA 1.515 53.519 52.037 -0.055 0.000 0.628 131 A CB -0.301 18.675 19.000 -0.041 0.000 0.830 131 A HN 0.343 nan 8.150 nan 0.000 0.446 132 G N -2.295 106.484 108.800 -0.036 0.000 3.651 132 G HA2 0.517 4.477 3.960 -0.000 0.000 0.267 132 G HA3 0.517 4.477 3.960 -0.000 0.000 0.267 132 G C 0.668 175.555 174.900 -0.021 0.000 1.009 132 G CA 0.587 45.673 45.100 -0.023 0.000 0.866 132 G HN 1.637 nan 8.290 nan 0.000 0.488 133 G N 0.552 109.336 108.800 -0.027 0.000 2.710 133 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.668 133 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.668 133 G C -1.430 173.462 174.900 -0.013 0.000 1.320 133 G CA -0.154 44.934 45.100 -0.020 0.000 0.860 133 G HN 0.037 nan 8.290 nan 0.000 0.538 134 P HA -0.066 nan 4.420 nan 0.000 0.222 134 P C 1.514 178.814 177.300 0.001 0.000 1.147 134 P CA 1.139 64.239 63.100 -0.001 0.000 0.790 134 P CB 0.072 31.773 31.700 0.001 0.000 0.780 135 R N 0.373 120.872 120.500 -0.001 0.000 2.280 135 R HA -0.002 4.338 4.340 -0.000 0.000 0.207 135 R C 1.761 178.062 176.300 0.001 0.000 1.043 135 R CA 1.007 57.107 56.100 0.000 0.000 1.006 135 R CB -0.601 29.699 30.300 -0.001 0.000 0.885 135 R HN -0.070 nan 8.270 nan 0.000 0.467 136 K N -0.520 119.879 120.400 -0.001 0.000 2.393 136 K HA 0.172 4.492 4.320 -0.000 0.000 0.193 136 K C -0.188 176.415 176.600 0.006 0.000 1.026 136 K CA 0.124 56.411 56.287 0.001 0.000 1.064 136 K CB 0.463 32.961 32.500 -0.005 0.000 0.833 136 K HN -0.026 nan 8.250 nan 0.000 0.521 137 V N 2.154 122.073 119.914 0.008 0.000 2.530 137 V HA 0.051 4.171 4.120 -0.000 0.000 0.282 137 V C 0.721 176.823 176.094 0.014 0.000 1.048 137 V CA -0.461 61.848 62.300 0.014 0.000 0.997 137 V CB 1.339 33.173 31.823 0.018 0.000 0.987 137 V HN 0.132 nan 8.190 nan 0.000 0.477 138 S N 6.128 121.838 115.700 0.016 0.000 2.562 138 S HA 0.195 4.665 4.470 -0.000 0.000 0.281 138 S C -1.284 173.323 174.600 0.012 0.000 1.333 138 S CA -0.890 57.319 58.200 0.014 0.000 1.052 138 S CB 0.964 64.174 63.200 0.016 0.000 0.884 138 S HN 0.649 nan 8.310 nan 0.000 0.506 139 P HA 0.019 nan 4.420 nan 0.000 0.230 139 P C 0.852 178.156 177.300 0.006 0.000 1.158 139 P CA 0.552 63.656 63.100 0.007 0.000 0.769 139 P CB 0.117 31.820 31.700 0.005 0.000 0.807 140 L N -1.648 119.580 121.223 0.008 0.000 2.558 140 L HA 0.150 4.490 4.340 -0.000 0.000 0.225 140 L C 2.141 179.018 176.870 0.010 0.000 1.128 140 L CA 0.738 55.582 54.840 0.007 0.000 0.868 140 L CB -1.483 40.581 42.059 0.008 0.000 1.006 140 L HN -0.026 nan 8.230 nan 0.000 0.454 141 A N 0.900 123.728 122.820 0.014 0.000 1.873 141 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 141 A C 2.453 180.045 177.584 0.014 0.000 1.193 141 A CA 2.321 54.368 52.037 0.018 0.000 0.629 141 A CB -0.941 18.072 19.000 0.022 0.000 0.826 141 A HN 0.254 nan 8.150 nan 0.000 0.447 142 V N 0.989 120.909 119.914 0.010 0.000 2.343 142 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 142 V C 2.412 178.508 176.094 0.002 0.000 1.051 142 V CA 2.760 65.064 62.300 0.006 0.000 1.036 142 V CB -0.966 30.859 31.823 0.004 0.000 0.654 142 V HN 0.845 nan 8.190 nan 0.000 0.451 143 Q N -0.697 119.103 119.800 0.000 0.000 2.297 143 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 143 Q C 2.034 178.032 176.000 -0.002 0.000 0.962 143 Q CA 1.953 57.753 55.803 -0.005 0.000 0.879 143 Q CB -0.343 28.390 28.738 -0.008 0.000 0.947 143 Q HN 0.652 nan 8.270 nan 0.000 0.462 144 M N -0.059 119.544 119.600 0.005 0.000 2.334 144 M HA 0.079 4.559 4.480 -0.000 0.000 0.266 144 M C 1.871 178.180 176.300 0.015 0.000 1.082 144 M CA 0.896 56.203 55.300 0.012 0.000 1.141 144 M CB 0.155 32.766 32.600 0.019 0.000 1.380 144 M HN 0.193 nan 8.290 nan 0.000 0.440 145 I N 0.576 121.154 120.570 0.013 0.000 2.480 145 I HA -0.071 4.099 4.170 -0.000 0.000 0.251 145 I C 1.347 177.468 176.117 0.007 0.000 1.124 145 I CA -0.007 61.301 61.300 0.013 0.000 1.444 145 I CB -0.019 37.989 38.000 0.013 0.000 1.098 145 I HN 0.326 nan 8.210 nan 0.000 0.428 146 M N 1.914 121.515 119.600 0.001 0.000 2.261 146 M HA 0.061 4.541 4.480 -0.000 0.000 0.350 146 M C -1.984 174.313 176.300 -0.005 0.000 1.343 146 M CA -0.819 54.478 55.300 -0.004 0.000 1.003 146 M CB -0.242 32.353 32.600 -0.010 0.000 1.848 146 M HN -0.231 nan 8.290 nan 0.000 0.456 147 P HA -0.150 nan 4.420 nan 0.000 0.220 147 P C 0.641 177.933 177.300 -0.012 0.000 1.148 147 P CA 1.406 64.504 63.100 -0.005 0.000 0.803 147 P CB -0.268 31.429 31.700 -0.006 0.000 0.782 148 N N -0.658 118.030 118.700 -0.020 0.000 2.521 148 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 148 N C 1.658 177.149 175.510 -0.031 0.000 1.146 148 N CA 0.970 54.002 53.050 -0.030 0.000 0.893 148 N CB -1.158 37.306 38.487 -0.037 0.000 0.975 148 N HN 0.099 nan 8.380 nan 0.000 0.451 149 G N 0.746 109.533 108.800 -0.022 0.000 2.408 149 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 149 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 149 G C 1.667 176.550 174.900 -0.029 0.000 1.150 149 G CA 0.968 46.054 45.100 -0.023 0.000 0.776 149 G HN 0.515 nan 8.290 nan 0.000 0.542 150 A N 1.413 124.219 122.820 -0.024 0.000 1.858 150 A HA 0.256 4.576 4.320 -0.000 0.000 0.216 150 A C 2.855 180.413 177.584 -0.044 0.000 1.190 150 A CA 2.355 54.373 52.037 -0.030 0.000 0.617 150 A CB -1.008 17.981 19.000 -0.019 0.000 0.827 150 A HN 0.828 nan 8.150 nan 0.000 0.443 151 A N -0.173 122.620 122.820 -0.045 0.000 1.917 151 A HA 0.060 4.380 4.320 -0.000 0.000 0.219 151 A C 2.491 180.025 177.584 -0.083 0.000 1.182 151 A CA 2.438 54.438 52.037 -0.063 0.000 0.633 151 A CB -1.023 17.941 19.000 -0.060 0.000 0.819 151 A HN 1.122 nan 8.150 nan 0.000 0.448 152 A N -0.771 122.006 122.820 -0.072 0.000 1.898 152 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 152 A C 2.232 179.767 177.584 -0.082 0.000 1.181 152 A CA 1.640 53.630 52.037 -0.079 0.000 0.620 152 A CB -0.900 18.064 19.000 -0.061 0.000 0.819 152 A HN 0.386 nan 8.150 nan 0.000 0.442 153 V N 0.366 120.239 119.914 -0.068 0.000 2.287 153 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 153 V C 2.432 178.474 176.094 -0.087 0.000 1.053 153 V CA 2.214 64.473 62.300 -0.068 0.000 1.027 153 V CB -0.701 31.089 31.823 -0.054 0.000 0.646 153 V HN 0.586 nan 8.190 nan 0.000 0.447 154 I N 0.601 121.115 120.570 -0.093 0.000 2.286 154 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 154 I C 2.552 178.566 176.117 -0.173 0.000 1.115 154 I CA 1.673 62.905 61.300 -0.114 0.000 1.392 154 I CB -0.883 37.063 38.000 -0.090 0.000 1.065 154 I HN 0.406 nan 8.210 nan 0.000 0.418 155 G N 0.791 109.477 108.800 -0.190 0.000 2.408 155 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 155 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 155 G C 1.615 176.391 174.900 -0.206 0.000 1.150 155 G CA 0.369 45.312 45.100 -0.261 0.000 0.776 155 G HN 0.222 nan 8.290 nan 0.000 0.542 156 L N 0.251 121.389 121.223 -0.143 0.000 2.095 156 L HA 0.101 4.441 4.340 -0.000 0.000 0.204 156 L C 2.746 179.552 176.870 -0.106 0.000 1.080 156 L CA 2.044 56.819 54.840 -0.108 0.000 0.759 156 L CB -0.680 41.331 42.059 -0.080 0.000 0.914 156 L HN 0.362 nan 8.230 nan 0.000 0.439 157 Q N -0.594 119.138 119.800 -0.114 0.000 2.061 157 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 157 Q C 1.913 177.815 176.000 -0.164 0.000 0.984 157 Q CA 2.220 57.954 55.803 -0.115 0.000 0.846 157 Q CB -0.112 28.562 28.738 -0.108 0.000 0.902 157 Q HN 0.598 nan 8.270 nan 0.000 0.421 158 L N -1.600 119.488 121.223 -0.225 0.000 2.554 158 L HA 0.275 4.615 4.340 -0.000 0.000 0.225 158 L C 1.045 177.831 176.870 -0.141 0.000 1.104 158 L CA 0.410 55.045 54.840 -0.342 0.000 0.866 158 L CB 0.474 42.238 42.059 -0.490 0.000 1.047 158 L HN 0.489 nan 8.230 nan 0.000 0.468 159 G N 1.066 109.796 108.800 -0.117 0.000 2.207 159 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 159 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 159 G C 0.173 175.042 174.900 -0.052 0.000 1.053 159 G CA -0.084 44.993 45.100 -0.038 0.000 0.764 159 G HN 0.423 nan 8.290 nan 0.000 0.495 160 A N -0.061 122.541 122.820 -0.363 0.000 2.354 160 A HA 0.748 5.068 4.320 -0.000 0.000 0.281 160 A C 1.118 178.543 177.584 -0.266 0.000 1.174 160 A CA -0.000 51.678 52.037 -0.598 0.000 0.828 160 A CB 0.292 18.645 19.000 -1.080 0.000 1.099 160 A HN 0.501 nan 8.150 nan 0.000 0.516 161 R N 2.335 122.755 120.500 -0.132 0.000 2.508 161 R HA 0.209 4.549 4.340 -0.000 0.000 0.300 161 R C 0.901 177.168 176.300 -0.055 0.000 0.970 161 R CA 0.646 56.703 56.100 -0.072 0.000 1.102 161 R CB 0.784 31.072 30.300 -0.020 0.000 1.246 161 R HN 0.689 nan 8.270 nan 0.000 0.539 162 A N 1.093 123.874 122.820 -0.067 0.000 2.507 162 A HA 0.479 4.799 4.320 -0.000 0.000 0.270 162 A C 0.394 177.939 177.584 -0.065 0.000 1.318 162 A CA 0.186 52.199 52.037 -0.041 0.000 0.924 162 A CB 0.303 19.303 19.000 -0.000 0.000 1.061 162 A HN 0.288 nan 8.150 nan 0.000 0.516 163 G N -1.342 107.402 108.800 -0.095 0.000 2.841 163 G HA2 0.237 4.197 3.960 -0.000 0.000 0.684 163 G HA3 0.237 4.197 3.960 -0.000 0.000 0.684 163 G C -1.135 173.689 174.900 -0.127 0.000 1.273 163 G CA -0.402 44.642 45.100 -0.092 0.000 0.811 163 G HN 0.791 nan 8.290 nan 0.000 0.631 164 V N 4.157 124.002 119.914 -0.115 0.000 2.444 164 V HA 0.804 4.924 4.120 -0.000 0.000 0.294 164 V C 0.414 176.452 176.094 -0.093 0.000 1.022 164 V CA -0.568 61.658 62.300 -0.123 0.000 0.850 164 V CB 1.768 33.512 31.823 -0.133 0.000 0.992 164 V HN 0.899 nan 8.190 nan 0.000 0.426 165 M N 3.464 123.014 119.600 -0.083 0.000 2.464 165 M HA 0.576 5.056 4.480 -0.000 0.000 0.308 165 M C -0.976 175.284 176.300 -0.066 0.000 1.127 165 M CA -0.259 54.993 55.300 -0.080 0.000 0.913 165 M CB 2.551 35.099 32.600 -0.086 0.000 1.689 165 M HN 0.623 nan 8.290 nan 0.000 0.445 166 T N 4.776 119.287 114.554 -0.071 0.000 2.991 166 T HA 0.455 4.805 4.350 -0.000 0.000 0.347 166 T C -2.617 172.044 174.700 -0.066 0.000 1.122 166 T CA -0.926 61.142 62.100 -0.053 0.000 1.062 166 T CB 0.728 69.570 68.868 -0.043 0.000 1.043 166 T HN 0.425 nan 8.240 nan 0.000 0.491 167 P HA 0.389 nan 4.420 nan 0.000 0.286 167 P C -0.534 176.742 177.300 -0.040 0.000 1.269 167 P CA -0.541 62.525 63.100 -0.057 0.000 0.787 167 P CB 1.128 32.839 31.700 0.018 0.000 0.920 168 V N 0.875 120.754 119.914 -0.059 0.000 2.357 168 V HA 0.661 4.781 4.120 -0.000 0.000 0.284 168 V C 0.436 176.449 176.094 -0.135 0.000 1.018 168 V CA -0.461 61.803 62.300 -0.060 0.000 0.841 168 V CB 1.003 32.808 31.823 -0.031 0.000 0.991 168 V HN 0.640 nan 8.190 nan 0.000 0.437 169 S N 2.633 118.240 115.700 -0.156 0.000 2.949 169 S HA 0.739 5.209 4.470 -0.000 0.000 0.246 169 S C 0.598 175.154 174.600 -0.074 0.000 0.899 169 S CA 0.501 58.495 58.200 -0.343 0.000 1.091 169 S CB 0.328 63.232 63.200 -0.494 0.000 1.199 169 S HN 2.562 nan 8.310 nan 0.000 0.507 170 A N 2.310 125.137 122.820 0.011 0.000 5.382 170 A HA -0.384 3.936 4.320 -0.000 0.000 0.307 170 A C 1.271 178.871 177.584 0.027 0.000 1.937 170 A CA 1.775 53.850 52.037 0.063 0.000 0.715 170 A CB -1.884 17.210 19.000 0.156 0.000 1.293 170 A HN 0.642 nan 8.150 nan 0.000 0.374 171 Q N 0.656 120.465 119.800 0.015 0.000 2.488 171 Q HA 0.143 4.483 4.340 -0.000 0.000 0.211 171 Q C 1.824 177.870 176.000 0.075 0.000 0.967 171 Q CA 1.431 57.273 55.803 0.066 0.000 0.926 171 Q CB -0.134 28.680 28.738 0.127 0.000 0.992 171 Q HN 1.027 nan 8.270 nan 0.000 0.506 172 S N -2.390 113.311 115.700 0.002 0.000 2.557 172 S HA 0.186 4.656 4.470 -0.000 0.000 0.223 172 S C 1.438 176.018 174.600 -0.034 0.000 0.969 172 S CA -0.200 57.967 58.200 -0.055 0.000 0.927 172 S CB 0.392 63.540 63.200 -0.087 0.000 0.806 172 S HN 0.079 nan 8.310 nan 0.000 0.489 173 S N 2.102 117.794 115.700 -0.014 0.000 2.382 173 S HA 0.011 4.481 4.470 -0.000 0.000 0.228 173 S C 2.095 176.699 174.600 0.006 0.000 1.027 173 S CA 1.340 59.533 58.200 -0.011 0.000 0.991 173 S CB -0.946 62.251 63.200 -0.006 0.000 0.823 173 S HN 0.747 nan 8.310 nan 0.000 0.469 174 G N 0.986 109.793 108.800 0.012 0.000 2.422 174 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 174 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 174 G C 1.567 176.477 174.900 0.016 0.000 1.146 174 G CA 1.071 46.182 45.100 0.018 0.000 0.769 174 G HN 0.520 nan 8.290 nan 0.000 0.547 175 S N -0.272 115.425 115.700 -0.004 0.000 2.377 175 S HA -0.012 4.458 4.470 -0.000 0.000 0.223 175 S C 2.083 176.665 174.600 -0.031 0.000 1.030 175 S CA 0.947 59.136 58.200 -0.019 0.000 0.970 175 S CB -0.091 63.070 63.200 -0.066 0.000 0.830 175 S HN 0.566 nan 8.310 nan 0.000 0.473 176 E N 1.090 121.274 120.200 -0.026 0.000 2.153 176 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 176 E C 2.097 178.739 176.600 0.070 0.000 0.988 176 E CA 0.878 57.271 56.400 -0.012 0.000 0.811 176 E CB -0.152 29.566 29.700 0.029 0.000 0.746 176 E HN 0.472 nan 8.360 nan 0.000 0.466 177 A N 1.077 123.945 122.820 0.080 0.000 1.883 177 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 177 A C 2.111 179.752 177.584 0.095 0.000 1.186 177 A CA 1.362 53.461 52.037 0.103 0.000 0.624 177 A CB -0.615 18.420 19.000 0.060 0.000 0.822 177 A HN 0.284 nan 8.150 nan 0.000 0.444 178 I N -0.202 120.405 120.570 0.061 0.000 2.286 178 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 178 I C 2.951 179.091 176.117 0.039 0.000 1.115 178 I CA 0.968 62.307 61.300 0.065 0.000 1.392 178 I CB -0.400 37.647 38.000 0.078 0.000 1.065 178 I HN 0.355 nan 8.210 nan 0.000 0.418 179 A N 0.360 123.152 122.820 -0.046 0.000 1.908 179 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 179 A C 2.215 179.764 177.584 -0.057 0.000 1.181 179 A CA 1.698 53.662 52.037 -0.121 0.000 0.627 179 A CB -0.894 17.945 19.000 -0.267 0.000 0.818 179 A HN 0.435 nan 8.150 nan 0.000 0.445 180 H N -0.757 118.351 119.070 0.063 0.000 2.428 180 H HA 0.107 4.663 4.556 0.000 0.000 0.296 180 H C 2.539 177.895 175.328 0.046 0.000 1.062 180 H CA 1.101 57.179 56.048 0.050 0.000 1.350 180 H CB -0.386 29.385 29.762 0.015 0.000 1.403 180 H HN 0.541 nan 8.280 nan 0.000 0.533 181 A N 0.924 123.842 122.820 0.163 0.000 1.877 181 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 181 A C 2.353 180.000 177.584 0.106 0.000 1.186 181 A CA 1.470 53.575 52.037 0.113 0.000 0.620 181 A CB -1.185 17.882 19.000 0.110 0.000 0.822 181 A HN 0.553 nan 8.150 nan 0.000 0.443 182 W N 0.772 122.036 121.300 -0.061 0.000 2.335 182 W HA -0.223 4.436 4.660 -0.000 0.000 0.311 182 W C 2.389 178.835 176.519 -0.122 0.000 1.213 182 W CA 2.226 59.506 57.345 -0.109 0.000 1.274 182 W CB -0.192 29.163 29.460 -0.175 0.000 1.148 182 W HN 0.270 nan 8.180 nan 0.000 0.498 183 R N -0.386 120.099 120.500 -0.026 0.000 2.081 183 R HA -0.234 4.106 4.340 -0.000 0.000 0.235 183 R C 2.201 178.382 176.300 -0.199 0.000 1.131 183 R CA 1.854 57.836 56.100 -0.198 0.000 0.960 183 R CB -0.860 29.454 30.300 0.023 0.000 0.856 183 R HN 0.169 nan 8.270 nan 0.000 0.436 184 Q N 0.967 120.720 119.800 -0.079 0.000 2.096 184 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 184 Q C 1.798 177.730 176.000 -0.114 0.000 0.982 184 Q CA 1.669 57.434 55.803 -0.064 0.000 0.850 184 Q CB -0.105 28.623 28.738 -0.017 0.000 0.901 184 Q HN 0.376 nan 8.270 nan 0.000 0.422 185 I N -0.521 119.948 120.570 -0.167 0.000 2.193 185 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 185 I C 2.129 178.092 176.117 -0.258 0.000 1.084 185 I CA 1.152 62.342 61.300 -0.184 0.000 1.365 185 I CB -0.448 37.450 38.000 -0.170 0.000 1.064 185 I HN 0.226 nan 8.210 nan 0.000 0.410 186 V N -1.797 117.821 119.914 -0.493 0.000 2.626 186 V HA -0.186 3.934 4.120 -0.000 0.000 0.252 186 V C 2.100 178.076 176.094 -0.196 0.000 1.067 186 V CA 1.417 63.442 62.300 -0.459 0.000 1.081 186 V CB -0.681 30.523 31.823 -1.032 0.000 0.686 186 V HN 0.372 nan 8.190 nan 0.000 0.468 187 M N 0.635 120.122 119.600 -0.188 0.000 2.619 187 M HA 0.280 4.760 4.480 -0.000 0.000 0.251 187 M C 1.581 177.854 176.300 -0.046 0.000 1.106 187 M CA 1.088 56.344 55.300 -0.073 0.000 1.086 187 M CB 0.102 32.665 32.600 -0.062 0.000 1.465 187 M HN 0.731 nan 8.290 nan 0.000 0.506 188 G N 0.621 109.384 108.800 -0.061 0.000 2.141 188 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.231 188 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.231 188 G C 0.101 174.985 174.900 -0.027 0.000 0.984 188 G CA 0.418 45.498 45.100 -0.034 0.000 0.660 188 G HN 0.484 nan 8.290 nan 0.000 0.525 189 D N 0.146 120.524 120.400 -0.036 0.000 2.333 189 D HA 0.531 5.171 4.640 -0.000 0.000 0.208 189 D C 1.305 177.597 176.300 -0.014 0.000 0.984 189 D CA 1.516 55.502 54.000 -0.023 0.000 0.873 189 D CB 0.413 41.197 40.800 -0.026 0.000 0.935 189 D HN 0.954 nan 8.370 nan 0.000 0.521 190 A N -0.353 122.456 122.820 -0.020 0.000 2.609 190 A HA 0.456 4.776 4.320 -0.000 0.000 0.291 190 A C -0.775 176.796 177.584 -0.021 0.000 1.096 190 A CA -0.676 51.360 52.037 -0.001 0.000 0.684 190 A CB 1.251 20.260 19.000 0.015 0.000 1.282 190 A HN -0.145 nan 8.150 nan 0.000 0.412 191 D N -0.574 119.808 120.400 -0.031 0.000 2.417 191 D HA 0.257 4.897 4.640 -0.000 0.000 0.207 191 D C -0.202 175.966 176.300 -0.221 0.000 1.075 191 D CA 0.925 54.865 54.000 -0.099 0.000 0.851 191 D CB 1.492 42.249 40.800 -0.070 0.000 0.976 191 D HN 0.404 nan 8.370 nan 0.000 0.505 192 V N 0.046 119.880 119.914 -0.134 0.000 2.851 192 V HA 0.733 4.853 4.120 -0.000 0.000 0.307 192 V C -1.932 174.266 176.094 0.173 0.000 1.129 192 V CA -0.645 61.591 62.300 -0.107 0.000 0.932 192 V CB 1.942 33.559 31.823 -0.344 0.000 1.024 192 V HN 0.042 nan 8.190 nan 0.000 0.426 193 A N 5.261 128.194 122.820 0.188 0.000 2.455 193 A HA 0.838 5.158 4.320 -0.000 0.000 0.300 193 A C -1.283 176.469 177.584 0.279 0.000 1.040 193 A CA -0.524 51.661 52.037 0.246 0.000 0.697 193 A CB 2.073 21.146 19.000 0.123 0.000 1.265 193 A HN 1.190 nan 8.150 nan 0.000 0.407 194 V N 1.633 121.741 119.914 0.323 0.000 2.432 194 V HA 0.509 4.629 4.120 -0.000 0.000 0.275 194 V C 0.123 176.288 176.094 0.117 0.000 1.043 194 V CA -0.145 62.297 62.300 0.238 0.000 0.925 194 V CB 0.331 32.310 31.823 0.260 0.000 0.985 194 V HN 1.289 nan 8.190 nan 0.000 0.466 195 C N 2.601 121.964 119.300 0.105 0.000 3.086 195 C HA 1.082 5.542 4.460 -0.000 0.000 0.311 195 C C 0.326 175.356 174.990 0.066 0.000 1.260 195 C CA -0.018 59.046 59.018 0.076 0.000 1.426 195 C CB 1.004 28.797 27.740 0.087 0.000 1.826 195 C HN 1.324 nan 8.230 nan 0.000 0.474 196 G N 0.281 109.111 108.800 0.050 0.000 2.513 196 G HA2 0.701 4.661 3.960 -0.000 0.000 0.182 196 G HA3 0.701 4.661 3.960 -0.000 0.000 0.182 196 G C -0.598 174.320 174.900 0.030 0.000 1.190 196 G CA 0.397 45.522 45.100 0.042 0.000 0.987 196 G HN 2.265 nan 8.290 nan 0.000 0.479 197 G N -1.151 107.664 108.800 0.025 0.000 2.742 197 G HA2 0.812 4.772 3.960 -0.000 0.000 0.296 197 G HA3 0.812 4.772 3.960 -0.000 0.000 0.296 197 G C -0.942 173.972 174.900 0.024 0.000 1.436 197 G CA 0.560 45.673 45.100 0.023 0.000 0.928 197 G HN 1.919 nan 8.290 nan 0.000 0.520 198 V N -1.719 118.210 119.914 0.026 0.000 3.102 198 V HA 1.015 5.135 4.120 -0.000 0.000 0.312 198 V C -0.839 175.287 176.094 0.053 0.000 1.135 198 V CA -1.169 61.152 62.300 0.036 0.000 1.022 198 V CB 2.034 33.869 31.823 0.020 0.000 1.056 198 V HN 0.920 nan 8.190 nan 0.000 0.436 199 E N 0.413 120.665 120.200 0.088 0.000 2.412 199 E HA 0.690 5.040 4.350 -0.000 0.000 0.279 199 E C -0.027 176.668 176.600 0.158 0.000 0.984 199 E CA 0.229 56.678 56.400 0.080 0.000 0.788 199 E CB 1.928 31.643 29.700 0.025 0.000 1.277 199 E HN 1.248 nan 8.360 nan 0.000 0.455 200 G N 1.727 110.571 108.800 0.072 0.000 2.651 200 G HA2 0.447 4.407 3.960 -0.000 0.000 0.260 200 G HA3 0.447 4.407 3.960 -0.000 0.000 0.260 200 G C -2.106 172.666 174.900 -0.213 0.000 1.216 200 G CA -0.782 44.288 45.100 -0.051 0.000 0.913 200 G HN 0.467 nan 8.290 nan 0.000 0.535 201 P HA 0.308 nan 4.420 nan 0.000 0.279 201 P C -0.032 177.133 177.300 -0.226 0.000 1.276 201 P CA -0.613 62.311 63.100 -0.294 0.000 0.801 201 P CB 1.120 32.582 31.700 -0.396 0.000 1.127 202 I N 0.783 121.289 120.570 -0.108 0.000 2.683 202 I HA 0.063 4.233 4.170 -0.000 0.000 0.286 202 I C 1.212 177.371 176.117 0.071 0.000 1.175 202 I CA 0.998 62.230 61.300 -0.114 0.000 1.429 202 I CB -0.090 37.917 38.000 0.013 0.000 1.371 202 I HN 0.272 nan 8.210 nan 0.000 0.569 203 E N 3.379 123.564 120.200 -0.024 0.000 2.446 203 E HA 0.457 4.807 4.350 -0.000 0.000 0.276 203 E C 0.256 176.661 176.600 -0.324 0.000 0.969 203 E CA -0.531 55.826 56.400 -0.073 0.000 0.800 203 E CB 1.948 31.588 29.700 -0.099 0.000 1.341 203 E HN 0.518 nan 8.360 nan 0.000 0.460 204 A N 1.300 123.649 122.820 -0.785 0.000 1.877 204 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 204 A C 1.801 179.088 177.584 -0.495 0.000 1.186 204 A CA 1.181 52.686 52.037 -0.887 0.000 0.620 204 A CB -0.338 17.957 19.000 -1.174 0.000 0.822 204 A HN 0.437 nan 8.150 nan 0.000 0.443 205 L N 0.196 121.181 121.223 -0.396 0.000 2.027 205 L HA -0.035 4.305 4.340 -0.000 0.000 0.206 205 L C -0.658 176.161 176.870 -0.087 0.000 1.074 205 L CA 2.234 56.912 54.840 -0.269 0.000 0.745 205 L CB -2.094 39.829 42.059 -0.226 0.000 0.898 205 L HN 0.144 nan 8.230 nan 0.000 0.433 206 P HA -0.169 nan 4.420 nan 0.000 0.216 206 P C 2.175 179.761 177.300 0.476 0.000 1.153 206 P CA 1.528 64.784 63.100 0.259 0.000 0.858 206 P CB 0.107 31.885 31.700 0.130 0.000 0.789 207 I N -0.750 120.017 120.570 0.330 0.000 2.142 207 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 207 I C 2.342 178.540 176.117 0.134 0.000 1.078 207 I CA 1.598 63.080 61.300 0.303 0.000 1.343 207 I CB -0.899 37.216 38.000 0.192 0.000 1.046 207 I HN -0.082 nan 8.210 nan 0.000 0.405 208 A N 0.844 123.668 122.820 0.007 0.000 1.883 208 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 208 A C 2.548 180.129 177.584 -0.006 0.000 1.186 208 A CA 2.226 54.236 52.037 -0.046 0.000 0.624 208 A CB -1.010 17.893 19.000 -0.162 0.000 0.822 208 A HN 0.463 nan 8.150 nan 0.000 0.444 209 A N -1.236 121.590 122.820 0.010 0.000 1.883 209 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 209 A C 2.012 179.573 177.584 -0.039 0.000 1.186 209 A CA 1.694 53.705 52.037 -0.044 0.000 0.624 209 A CB -0.793 18.148 19.000 -0.098 0.000 0.822 209 A HN 0.501 nan 8.150 nan 0.000 0.444 210 F N -0.435 119.576 119.950 0.100 0.000 2.234 210 F HA -0.055 4.471 4.527 -0.000 0.000 0.296 210 F C 2.917 178.704 175.800 -0.023 0.000 1.089 210 F CA 1.235 59.305 58.000 0.117 0.000 1.343 210 F CB -0.361 38.757 39.000 0.196 0.000 1.040 210 F HN 0.231 nan 8.300 nan 0.000 0.498 211 S N -0.032 115.724 115.700 0.093 0.000 2.370 211 S HA -0.200 4.270 4.470 -0.000 0.000 0.226 211 S C 2.145 176.742 174.600 -0.005 0.000 1.033 211 S CA 1.195 59.386 58.200 -0.016 0.000 1.011 211 S CB -0.199 62.987 63.200 -0.022 0.000 0.852 211 S HN 0.140 nan 8.310 nan 0.000 0.457 212 M N 0.628 120.229 119.600 0.001 0.000 2.460 212 M HA 0.104 4.584 4.480 -0.000 0.000 0.263 212 M C 1.664 177.957 176.300 -0.012 0.000 1.071 212 M CA 1.018 56.309 55.300 -0.015 0.000 1.096 212 M CB -1.118 31.463 32.600 -0.032 0.000 1.408 212 M HN 0.444 nan 8.290 nan 0.000 0.463 213 M N -1.651 117.955 119.600 0.010 0.000 2.556 213 M HA 0.045 4.525 4.480 -0.000 0.000 0.245 213 M C 0.609 176.926 176.300 0.029 0.000 1.128 213 M CA 0.191 55.502 55.300 0.019 0.000 1.069 213 M CB 0.067 32.704 32.600 0.063 0.000 1.469 213 M HN 0.176 nan 8.290 nan 0.000 0.494 214 R N -0.163 120.345 120.500 0.013 0.000 3.770 214 R HA -0.204 4.136 4.340 -0.000 0.000 0.305 214 R C 0.528 176.833 176.300 0.008 0.000 1.184 214 R CA 0.357 56.454 56.100 -0.004 0.000 0.823 214 R CB -1.532 28.765 30.300 -0.005 0.000 1.285 214 R HN 0.521 nan 8.270 nan 0.000 0.499 215 A N -0.199 122.647 122.820 0.043 0.000 2.218 215 A HA 0.224 4.544 4.320 -0.000 0.000 0.209 215 A C 0.856 178.322 177.584 -0.197 0.000 1.168 215 A CA 0.331 52.438 52.037 0.117 0.000 0.804 215 A CB 0.277 19.563 19.000 0.476 0.000 0.834 215 A HN 0.264 nan 8.150 nan 0.000 0.482 216 M N 0.223 119.587 119.600 -0.394 0.000 2.364 216 M HA 0.298 4.778 4.480 -0.000 0.000 0.334 216 M C 0.239 176.332 176.300 -0.344 0.000 1.107 216 M CA -0.396 54.499 55.300 -0.675 0.000 0.988 216 M CB 1.847 34.012 32.600 -0.725 0.000 1.673 216 M HN 0.155 nan 8.290 nan 0.000 0.441 217 S N 1.030 116.546 115.700 -0.306 0.000 2.560 217 S HA 0.118 4.588 4.470 -0.000 0.000 0.284 217 S C 0.764 175.275 174.600 -0.148 0.000 1.327 217 S CA 0.062 58.160 58.200 -0.171 0.000 1.055 217 S CB 0.316 63.439 63.200 -0.128 0.000 0.868 217 S HN 0.820 nan 8.310 nan 0.000 0.506 218 T N 1.683 116.181 114.554 -0.093 0.000 3.296 218 T HA 0.306 4.656 4.350 -0.000 0.000 0.285 218 T C 0.399 175.074 174.700 -0.043 0.000 1.014 218 T CA -0.501 61.560 62.100 -0.065 0.000 0.920 218 T CB -0.258 68.580 68.868 -0.050 0.000 1.143 218 T HN 0.612 nan 8.240 nan 0.000 0.522 219 R N 1.688 122.162 120.500 -0.044 0.000 4.576 219 R HA 0.268 4.608 4.340 -0.000 0.000 0.185 219 R C 0.724 177.011 176.300 -0.022 0.000 1.837 219 R CA 0.014 56.097 56.100 -0.028 0.000 1.520 219 R CB -0.952 29.332 30.300 -0.026 0.000 1.403 219 R HN 0.502 nan 8.270 nan 0.000 0.831 220 N N 0.060 118.751 118.700 -0.017 0.000 2.244 220 N HA -0.146 4.594 4.740 -0.000 0.000 0.183 220 N C 0.474 175.984 175.510 0.001 0.000 1.016 220 N CA 0.893 53.938 53.050 -0.008 0.000 0.866 220 N CB 0.175 38.662 38.487 0.000 0.000 0.980 220 N HN 0.392 nan 8.380 nan 0.000 0.430 221 D N 0.779 121.180 120.400 0.001 0.000 2.224 221 D HA -0.035 4.605 4.640 -0.000 0.000 0.205 221 D C -0.016 176.288 176.300 0.007 0.000 0.965 221 D CA 1.117 55.120 54.000 0.006 0.000 0.852 221 D CB 0.076 40.878 40.800 0.004 0.000 0.947 221 D HN 0.358 nan 8.370 nan 0.000 0.494 222 E N -0.214 119.989 120.200 0.004 0.000 2.675 222 E HA 0.157 4.506 4.350 -0.000 0.000 0.236 222 E C -1.995 174.608 176.600 0.005 0.000 1.059 222 E CA -1.460 54.945 56.400 0.008 0.000 0.775 222 E CB 2.215 31.919 29.700 0.007 0.000 1.356 222 E HN -0.096 nan 8.360 nan 0.000 0.403 223 P HA -0.218 nan 4.420 nan 0.000 0.216 223 P C 0.791 178.092 177.300 0.002 0.000 1.153 223 P CA 1.276 64.375 63.100 -0.001 0.000 0.858 223 P CB 0.327 32.034 31.700 0.013 0.000 0.789 224 E N -0.897 119.313 120.200 0.017 0.000 2.347 224 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 224 E C 1.686 178.297 176.600 0.018 0.000 1.008 224 E CA 0.528 56.941 56.400 0.022 0.000 0.852 224 E CB -0.181 29.538 29.700 0.032 0.000 0.783 224 E HN 0.313 nan 8.360 nan 0.000 0.505 225 R N -0.212 120.296 120.500 0.012 0.000 2.334 225 R HA 0.216 4.556 4.340 -0.000 0.000 0.216 225 R C 1.846 178.148 176.300 0.004 0.000 0.905 225 R CA 0.375 56.482 56.100 0.012 0.000 1.064 225 R CB 0.402 30.708 30.300 0.010 0.000 1.046 225 R HN 0.018 nan 8.270 nan 0.000 0.508 226 A N 0.931 123.747 122.820 -0.006 0.000 1.898 226 A HA -0.012 4.308 4.320 -0.000 0.000 0.214 226 A C 1.330 178.902 177.584 -0.020 0.000 1.183 226 A CA 0.693 52.718 52.037 -0.019 0.000 0.622 226 A CB 0.030 19.009 19.000 -0.035 0.000 0.824 226 A HN 0.146 nan 8.150 nan 0.000 0.444 227 S N 0.556 116.249 115.700 -0.012 0.000 2.414 227 S HA 0.374 4.844 4.470 -0.000 0.000 0.290 227 S C 0.089 174.691 174.600 0.003 0.000 1.160 227 S CA -0.468 57.725 58.200 -0.011 0.000 1.069 227 S CB -0.321 62.872 63.200 -0.011 0.000 1.012 227 S HN 0.400 nan 8.310 nan 0.000 0.510 228 R N 4.510 125.010 120.500 0.001 0.000 2.835 228 R HA 0.258 4.598 4.340 -0.000 0.000 0.290 228 R C -2.831 173.489 176.300 0.034 0.000 1.410 228 R CA -1.708 54.414 56.100 0.037 0.000 1.590 228 R CB 0.731 31.050 30.300 0.031 0.000 1.288 228 R HN 0.402 nan 8.270 nan 0.000 0.637 229 P HA -0.050 nan 4.420 nan 0.000 0.264 229 P C -0.002 177.320 177.300 0.036 0.000 1.183 229 P CA 0.314 63.306 63.100 -0.179 0.000 0.763 229 P CB 0.213 31.746 31.700 -0.279 0.000 0.807 230 F N -1.517 118.509 119.950 0.127 0.000 2.890 230 F HA -0.278 4.249 4.527 0.000 0.000 0.346 230 F C 0.786 176.747 175.800 0.268 0.000 0.660 230 F CA 1.449 59.563 58.000 0.191 0.000 1.091 230 F CB -2.445 36.661 39.000 0.177 0.000 1.535 230 F HN 0.286 nan 8.300 nan 0.000 0.314 231 D N 0.495 121.079 120.400 0.306 0.000 2.304 231 D HA 0.211 4.851 4.640 -0.000 0.000 0.247 231 D C 1.210 177.534 176.300 0.041 0.000 1.089 231 D CA -0.255 53.797 54.000 0.087 0.000 0.910 231 D CB 0.877 41.698 40.800 0.036 0.000 1.199 231 D HN 0.110 nan 8.370 nan 0.000 0.426 232 K N 1.218 121.607 120.400 -0.019 0.000 2.209 232 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 232 K C 0.153 176.750 176.600 -0.004 0.000 1.048 232 K CA 1.034 57.319 56.287 -0.004 0.000 0.940 232 K CB 0.164 32.651 32.500 -0.022 0.000 0.729 232 K HN 0.521 nan 8.250 nan 0.000 0.451 233 D N 0.889 121.280 120.400 -0.015 0.000 2.328 233 D HA -0.031 4.609 4.640 -0.000 0.000 0.221 233 D C 0.078 176.374 176.300 -0.007 0.000 1.072 233 D CA 0.111 54.103 54.000 -0.012 0.000 0.850 233 D CB 0.043 40.831 40.800 -0.019 0.000 0.922 233 D HN 0.317 nan 8.370 nan 0.000 0.516 234 R N 1.585 122.085 120.500 0.000 0.000 2.698 234 R HA 0.057 4.397 4.340 -0.000 0.000 0.266 234 R C -0.023 176.271 176.300 -0.011 0.000 1.026 234 R CA 0.357 56.455 56.100 -0.004 0.000 1.102 234 R CB 0.314 30.611 30.300 -0.004 0.000 0.978 234 R HN -0.156 nan 8.270 nan 0.000 0.436 235 D N 0.693 121.081 120.400 -0.021 0.000 2.760 235 D HA 0.231 4.871 4.640 -0.000 0.000 0.314 235 D C 0.246 176.519 176.300 -0.045 0.000 1.464 235 D CA 0.075 54.057 54.000 -0.028 0.000 0.797 235 D CB 0.397 41.177 40.800 -0.034 0.000 1.149 235 D HN 0.916 nan 8.370 nan 0.000 0.455 236 G N 0.472 109.255 108.800 -0.029 0.000 2.462 236 G HA2 0.150 4.110 3.960 -0.000 0.000 0.685 236 G HA3 0.150 4.110 3.960 -0.000 0.000 0.685 236 G C -0.509 174.372 174.900 -0.030 0.000 1.295 236 G CA -0.660 44.423 45.100 -0.028 0.000 0.941 236 G HN 0.369 nan 8.290 nan 0.000 0.554 237 F N -0.619 119.283 119.950 -0.080 0.000 2.378 237 F HA 0.807 5.334 4.527 -0.000 0.000 0.319 237 F C 0.306 176.005 175.800 -0.170 0.000 1.155 237 F CA -1.255 56.679 58.000 -0.110 0.000 1.157 237 F CB 1.171 40.138 39.000 -0.054 0.000 1.252 237 F HN 0.446 nan 8.300 nan 0.000 0.550 238 V N 2.804 122.768 119.914 0.084 0.000 2.495 238 V HA 0.268 4.388 4.120 -0.000 0.000 0.298 238 V C -0.504 175.701 176.094 0.184 0.000 1.031 238 V CA -0.782 61.506 62.300 -0.020 0.000 0.871 238 V CB 1.208 33.018 31.823 -0.020 0.000 0.988 238 V HN 0.625 nan 8.190 nan 0.000 0.432 239 F N 2.794 122.795 119.950 0.085 0.000 2.538 239 F HA 0.574 5.101 4.527 0.000 0.000 0.371 239 F C 1.031 176.821 175.800 -0.017 0.000 1.087 239 F CA -0.244 57.792 58.000 0.060 0.000 1.250 239 F CB 0.947 39.942 39.000 -0.009 0.000 1.110 239 F HN 0.561 nan 8.300 nan 0.000 0.570 240 G N 3.930 112.860 108.800 0.216 0.000 2.744 240 G HA2 0.406 4.366 3.960 -0.000 0.000 0.286 240 G HA3 0.406 4.366 3.960 -0.000 0.000 0.286 240 G C -1.122 173.821 174.900 0.072 0.000 1.497 240 G CA -0.753 44.400 45.100 0.089 0.000 1.070 240 G HN 0.523 nan 8.290 nan 0.000 0.539 241 E N 0.349 120.581 120.200 0.054 0.000 2.392 241 E HA 0.478 4.828 4.350 -0.000 0.000 0.264 241 E C 0.314 176.965 176.600 0.084 0.000 1.024 241 E CA 0.414 56.852 56.400 0.064 0.000 0.903 241 E CB 1.352 31.116 29.700 0.106 0.000 0.963 241 E HN 0.733 nan 8.360 nan 0.000 0.432 242 A N 1.718 124.587 122.820 0.081 0.000 2.608 242 A HA 0.766 5.086 4.320 -0.000 0.000 0.292 242 A C -0.806 176.822 177.584 0.073 0.000 1.066 242 A CA -0.153 51.929 52.037 0.075 0.000 0.676 242 A CB 2.061 21.095 19.000 0.057 0.000 1.277 242 A HN 0.610 nan 8.150 nan 0.000 0.413 243 G N -1.041 107.794 108.800 0.059 0.000 2.696 243 G HA2 0.934 4.894 3.960 -0.000 0.000 0.295 243 G HA3 0.934 4.894 3.960 -0.000 0.000 0.295 243 G C -0.909 174.009 174.900 0.029 0.000 1.398 243 G CA 0.198 45.323 45.100 0.042 0.000 0.920 243 G HN 2.185 nan 8.290 nan 0.000 0.492 244 A N 0.577 123.411 122.820 0.022 0.000 2.540 244 A HA 0.785 5.105 4.320 -0.000 0.000 0.297 244 A C -1.315 176.281 177.584 0.020 0.000 1.056 244 A CA -0.456 51.591 52.037 0.016 0.000 0.700 244 A CB 1.057 20.062 19.000 0.009 0.000 1.280 244 A HN 0.840 nan 8.150 nan 0.000 0.398 245 L N 2.165 123.402 121.223 0.023 0.000 2.350 245 L HA 0.848 5.188 4.340 -0.000 0.000 0.260 245 L C -0.159 176.736 176.870 0.041 0.000 1.015 245 L CA -0.807 54.057 54.840 0.040 0.000 0.821 245 L CB 2.369 44.460 42.059 0.053 0.000 1.370 245 L HN 0.963 nan 8.230 nan 0.000 0.416 246 M N 1.301 120.938 119.600 0.061 0.000 2.619 246 M HA 0.643 5.123 4.480 -0.000 0.000 0.297 246 M C -1.677 174.683 176.300 0.100 0.000 1.229 246 M CA -0.841 54.497 55.300 0.062 0.000 0.860 246 M CB 2.577 35.210 32.600 0.054 0.000 1.741 246 M HN 0.339 nan 8.290 nan 0.000 0.462 247 L N 4.089 125.366 121.223 0.090 0.000 2.272 247 L HA 0.724 5.064 4.340 -0.000 0.000 0.289 247 L C -0.934 175.984 176.870 0.080 0.000 1.032 247 L CA -0.523 54.384 54.840 0.111 0.000 0.810 247 L CB 1.120 43.229 42.059 0.083 0.000 1.205 247 L HN 0.816 nan 8.230 nan 0.000 0.422 248 I N 2.250 122.878 120.570 0.097 0.000 2.740 248 I HA 0.878 5.048 4.170 -0.000 0.000 0.303 248 I C -1.120 175.021 176.117 0.041 0.000 1.044 248 I CA -0.431 60.918 61.300 0.081 0.000 1.064 248 I CB 2.215 40.288 38.000 0.121 0.000 1.249 248 I HN 0.815 nan 8.210 nan 0.000 0.433 249 E N 1.808 122.021 120.200 0.021 0.000 2.396 249 E HA 0.277 4.627 4.350 -0.000 0.000 0.280 249 E C -1.170 175.439 176.600 0.015 0.000 1.065 249 E CA -0.997 55.380 56.400 -0.037 0.000 0.831 249 E CB 1.238 30.887 29.700 -0.085 0.000 1.272 249 E HN 0.784 nan 8.360 nan 0.000 0.443 250 T N -1.584 112.979 114.554 0.015 0.000 2.903 250 T HA 0.024 4.374 4.350 -0.000 0.000 0.314 250 T C 0.965 175.716 174.700 0.085 0.000 1.078 250 T CA 0.259 62.394 62.100 0.058 0.000 1.114 250 T CB 1.262 70.167 68.868 0.062 0.000 0.987 250 T HN 0.699 nan 8.240 nan 0.000 0.548 251 E N 0.446 120.697 120.200 0.085 0.000 2.085 251 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 251 E C 2.026 178.672 176.600 0.076 0.000 0.994 251 E CA 1.426 57.875 56.400 0.081 0.000 0.801 251 E CB -0.049 29.722 29.700 0.118 0.000 0.743 251 E HN 0.921 nan 8.360 nan 0.000 0.453 252 E N -0.080 120.169 120.200 0.081 0.000 2.058 252 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 252 E C 2.180 178.819 176.600 0.065 0.000 0.997 252 E CA 1.214 57.654 56.400 0.066 0.000 0.801 252 E CB -0.239 29.499 29.700 0.064 0.000 0.746 252 E HN 0.397 nan 8.360 nan 0.000 0.450 253 H N -0.106 118.964 119.070 -0.001 0.000 2.352 253 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 253 H C 1.832 177.139 175.328 -0.035 0.000 1.097 253 H CA 1.790 57.829 56.048 -0.015 0.000 1.311 253 H CB 0.011 29.766 29.762 -0.012 0.000 1.377 253 H HN 0.297 nan 8.280 nan 0.000 0.504 254 A N 1.562 124.442 122.820 0.099 0.000 1.898 254 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 254 A C 2.468 180.024 177.584 -0.046 0.000 1.181 254 A CA 1.831 53.880 52.037 0.019 0.000 0.620 254 A CB -0.318 18.675 19.000 -0.011 0.000 0.819 254 A HN 0.659 nan 8.150 nan 0.000 0.442 255 K N -0.477 119.908 120.400 -0.024 0.000 2.076 255 K HA 0.242 4.562 4.320 -0.000 0.000 0.204 255 K C 2.035 178.606 176.600 -0.049 0.000 1.051 255 K CA 1.121 57.395 56.287 -0.022 0.000 0.949 255 K CB -0.562 31.949 32.500 0.018 0.000 0.726 255 K HN 0.192 nan 8.250 nan 0.000 0.443 256 A N 2.718 125.497 122.820 -0.069 0.000 1.997 256 A HA -0.219 4.101 4.320 -0.000 0.000 0.221 256 A C 2.159 179.668 177.584 -0.124 0.000 1.172 256 A CA 1.926 53.905 52.037 -0.096 0.000 0.645 256 A CB -0.673 18.253 19.000 -0.123 0.000 0.813 256 A HN 0.605 nan 8.150 nan 0.000 0.454 257 R N -1.538 118.865 120.500 -0.161 0.000 2.393 257 R HA 0.372 4.712 4.340 -0.000 0.000 0.244 257 R C 0.999 177.229 176.300 -0.116 0.000 0.920 257 R CA 0.740 56.742 56.100 -0.164 0.000 1.076 257 R CB -0.561 29.595 30.300 -0.240 0.000 1.119 257 R HN 0.788 nan 8.270 nan 0.000 0.524 258 G N 0.410 109.158 108.800 -0.087 0.000 2.160 258 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.251 258 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.251 258 G C 0.184 175.041 174.900 -0.072 0.000 1.008 258 G CA 0.182 45.242 45.100 -0.066 0.000 0.724 258 G HN 0.680 nan 8.290 nan 0.000 0.514 259 A N -0.298 122.471 122.820 -0.085 0.000 2.362 259 A HA 0.688 5.008 4.320 -0.000 0.000 0.276 259 A C 0.496 178.020 177.584 -0.101 0.000 1.153 259 A CA 0.214 52.194 52.037 -0.096 0.000 0.813 259 A CB 0.654 19.593 19.000 -0.102 0.000 1.081 259 A HN 0.735 nan 8.150 nan 0.000 0.507 260 K N 4.101 124.444 120.400 -0.095 0.000 2.284 260 K HA 0.445 4.765 4.320 -0.000 0.000 0.287 260 K C -2.772 173.725 176.600 -0.171 0.000 1.081 260 K CA -1.922 54.304 56.287 -0.102 0.000 0.910 260 K CB 0.340 32.814 32.500 -0.043 0.000 1.088 260 K HN 0.346 nan 8.250 nan 0.000 0.478 261 P HA 0.060 nan 4.420 nan 0.000 0.271 261 P C 0.008 177.165 177.300 -0.239 0.000 1.216 261 P CA -0.189 62.661 63.100 -0.416 0.000 0.771 261 P CB 0.672 31.801 31.700 -0.952 0.000 0.864 262 L N 0.783 121.930 121.223 -0.126 0.000 2.354 262 L HA 0.447 4.787 4.340 -0.000 0.000 0.212 262 L C 1.016 177.885 176.870 -0.001 0.000 1.091 262 L CA 0.446 55.252 54.840 -0.056 0.000 0.828 262 L CB -0.454 41.553 42.059 -0.087 0.000 0.973 262 L HN 0.369 nan 8.230 nan 0.000 0.461 263 A N 0.020 122.852 122.820 0.019 0.000 2.536 263 A HA 0.713 5.033 4.320 -0.000 0.000 0.293 263 A C -1.190 176.492 177.584 0.163 0.000 1.119 263 A CA -0.762 51.346 52.037 0.118 0.000 0.654 263 A CB 1.120 20.174 19.000 0.090 0.000 1.291 263 A HN 0.064 nan 8.150 nan 0.000 0.439 264 R N -0.551 120.093 120.500 0.240 0.000 2.532 264 R HA 0.617 4.957 4.340 -0.000 0.000 0.295 264 R C -1.376 175.065 176.300 0.235 0.000 0.968 264 R CA -0.692 55.547 56.100 0.231 0.000 0.916 264 R CB 1.837 32.280 30.300 0.237 0.000 1.124 264 R HN 0.517 nan 8.270 nan 0.000 0.463 265 L N 4.192 125.491 121.223 0.126 0.000 2.277 265 L HA 0.298 4.638 4.340 -0.000 0.000 0.284 265 L C -0.333 176.431 176.870 -0.177 0.000 1.028 265 L CA 0.191 54.922 54.840 -0.180 0.000 0.835 265 L CB 0.990 42.943 42.059 -0.176 0.000 1.215 265 L HN 0.757 nan 8.230 nan 0.000 0.425 266 L N 4.420 125.455 121.223 -0.313 0.000 2.470 266 L HA 0.597 4.937 4.340 -0.000 0.000 0.219 266 L C 0.963 177.573 176.870 -0.434 0.000 1.071 266 L CA 0.424 55.173 54.840 -0.150 0.000 0.850 266 L CB 0.030 42.075 42.059 -0.024 0.000 1.040 266 L HN 0.782 nan 8.230 nan 0.000 0.475 267 G N -0.481 107.751 108.800 -0.947 0.000 2.489 267 G HA2 0.651 4.611 3.960 -0.000 0.000 0.291 267 G HA3 0.651 4.611 3.960 -0.000 0.000 0.291 267 G C -2.181 172.043 174.900 -1.128 0.000 1.487 267 G CA 0.079 44.423 45.100 -1.260 0.000 0.795 267 G HN 0.013 nan 8.290 nan 0.000 0.513 268 A N -0.752 121.476 122.820 -0.987 0.000 2.455 268 A HA 0.948 5.268 4.320 -0.000 0.000 0.300 268 A C -0.063 177.333 177.584 -0.313 0.000 1.040 268 A CA -0.011 51.684 52.037 -0.569 0.000 0.697 268 A CB 1.926 20.627 19.000 -0.499 0.000 1.265 268 A HN 2.066 nan 8.150 nan 0.000 0.407 269 G N 0.694 109.366 108.800 -0.214 0.000 2.530 269 G HA2 0.619 4.579 3.960 -0.000 0.000 0.316 269 G HA3 0.619 4.579 3.960 -0.000 0.000 0.316 269 G C -1.013 173.836 174.900 -0.085 0.000 1.298 269 G CA -0.448 44.583 45.100 -0.115 0.000 0.948 269 G HN 0.658 nan 8.290 nan 0.000 0.486 270 I N 2.178 122.721 120.570 -0.045 0.000 2.439 270 I HA 0.467 4.637 4.170 -0.000 0.000 0.285 270 I C 0.343 176.482 176.117 0.037 0.000 1.021 270 I CA -0.590 60.706 61.300 -0.008 0.000 1.091 270 I CB 2.389 40.375 38.000 -0.024 0.000 1.242 270 I HN 0.665 nan 8.210 nan 0.000 0.439 271 T N 1.564 116.157 114.554 0.065 0.000 2.742 271 T HA 0.835 5.185 4.350 -0.000 0.000 0.282 271 T C -0.403 174.356 174.700 0.100 0.000 1.025 271 T CA -0.731 61.413 62.100 0.073 0.000 1.020 271 T CB 2.008 70.910 68.868 0.057 0.000 1.317 271 T HN 0.548 nan 8.240 nan 0.000 0.538 272 S N -0.727 115.018 115.700 0.075 0.000 2.556 272 S HA 0.531 5.001 4.470 -0.000 0.000 0.271 272 S C -0.517 174.104 174.600 0.035 0.000 1.135 272 S CA -0.783 57.450 58.200 0.055 0.000 0.858 272 S CB 1.831 65.061 63.200 0.049 0.000 1.114 272 S HN 0.619 nan 8.310 nan 0.000 0.468 273 D N 1.269 121.684 120.400 0.025 0.000 2.213 273 D HA 0.252 4.892 4.640 -0.000 0.000 0.205 273 D C 1.298 177.650 176.300 0.087 0.000 0.961 273 D CA 1.358 55.385 54.000 0.045 0.000 0.853 273 D CB -0.523 40.316 40.800 0.065 0.000 0.967 273 D HN 1.131 nan 8.370 nan 0.000 0.496 274 A N -0.078 122.781 122.820 0.065 0.000 2.311 274 A HA -0.254 4.066 4.320 -0.000 0.000 0.284 274 A C 0.635 178.299 177.584 0.134 0.000 1.409 274 A CA 0.912 52.988 52.037 0.064 0.000 0.764 274 A CB -2.009 17.015 19.000 0.041 0.000 1.095 274 A HN 0.393 nan 8.150 nan 0.000 0.369 275 F N -0.589 119.355 119.950 -0.010 0.000 2.423 275 F HA 0.403 4.930 4.527 -0.000 0.000 0.269 275 F C 0.784 176.623 175.800 0.066 0.000 0.880 275 F CA 1.160 59.171 58.000 0.019 0.000 1.134 275 F CB 0.528 39.538 39.000 0.018 0.000 1.143 275 F HN 0.609 nan 8.300 nan 0.000 0.802 276 H N 0.317 119.345 119.070 -0.070 0.000 3.046 276 H HA 0.303 4.859 4.556 -0.000 0.000 0.361 276 H C 0.426 175.719 175.328 -0.057 0.000 1.235 276 H CA -0.453 55.479 56.048 -0.192 0.000 1.146 276 H CB 1.885 31.487 29.762 -0.267 0.000 1.859 276 H HN 0.048 nan 8.280 nan 0.000 0.548 277 M N 2.504 121.940 119.600 -0.275 0.000 2.229 277 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 277 M C 1.558 177.844 176.300 -0.023 0.000 1.063 277 M CA 1.328 56.550 55.300 -0.130 0.000 1.114 277 M CB -0.357 32.104 32.600 -0.232 0.000 1.387 277 M HN 0.466 nan 8.290 nan 0.000 0.420 278 V N -4.078 115.916 119.914 0.133 0.000 3.337 278 V HA 0.634 4.754 4.120 -0.000 0.000 0.307 278 V C 0.259 176.348 176.094 -0.007 0.000 1.505 278 V CA -0.241 61.913 62.300 -0.243 0.000 1.072 278 V CB -0.386 30.996 31.823 -0.735 0.000 0.929 278 V HN 0.118 nan 8.190 nan 0.000 0.455 279 A N 2.249 125.158 122.820 0.148 0.000 2.343 279 A HA 0.944 5.264 4.320 -0.000 0.000 0.316 279 A C -2.901 174.830 177.584 0.246 0.000 1.104 279 A CA -1.859 50.235 52.037 0.095 0.000 0.768 279 A CB 1.295 20.224 19.000 -0.117 0.000 1.213 279 A HN 0.249 nan 8.150 nan 0.000 0.456 280 P HA 0.324 nan 4.420 nan 0.000 0.274 280 P C -0.012 177.114 177.300 -0.291 0.000 1.231 280 P CA 0.016 63.097 63.100 -0.031 0.000 0.790 280 P CB 0.977 32.603 31.700 -0.125 0.000 0.951 281 A N 2.511 125.007 122.820 -0.540 0.000 2.524 281 A HA 0.307 4.627 4.320 -0.000 0.000 0.250 281 A C 1.738 178.930 177.584 -0.653 0.000 1.078 281 A CA 0.351 51.712 52.037 -1.127 0.000 0.761 281 A CB -0.506 18.057 19.000 -0.729 0.000 1.012 281 A HN 0.618 nan 8.150 nan 0.000 0.500 282 A N 2.604 125.040 122.820 -0.639 0.000 1.978 282 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 282 A C 1.562 179.013 177.584 -0.221 0.000 1.170 282 A CA 2.029 53.885 52.037 -0.302 0.000 0.636 282 A CB -0.530 18.357 19.000 -0.188 0.000 0.810 282 A HN 0.929 nan 8.150 nan 0.000 0.448 283 D N -1.729 118.529 120.400 -0.236 0.000 2.347 283 D HA 0.187 4.827 4.640 -0.000 0.000 0.215 283 D C 1.304 177.526 176.300 -0.130 0.000 0.976 283 D CA 0.976 54.889 54.000 -0.144 0.000 0.884 283 D CB -0.968 39.765 40.800 -0.112 0.000 0.915 283 D HN 0.791 nan 8.370 nan 0.000 0.526 284 G N -0.067 108.627 108.800 -0.176 0.000 2.180 284 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.263 284 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.263 284 G C 1.126 175.959 174.900 -0.111 0.000 0.989 284 G CA 0.705 45.708 45.100 -0.161 0.000 0.692 284 G HN 0.373 nan 8.290 nan 0.000 0.526 285 V N 0.304 120.158 119.914 -0.099 0.000 2.270 285 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 285 V C 2.926 178.997 176.094 -0.038 0.000 1.043 285 V CA 2.416 64.682 62.300 -0.057 0.000 1.014 285 V CB -0.399 31.395 31.823 -0.047 0.000 0.645 285 V HN 0.424 nan 8.190 nan 0.000 0.447 286 R N 0.370 120.844 120.500 -0.043 0.000 2.092 286 R HA 0.035 4.375 4.340 -0.000 0.000 0.231 286 R C 2.352 178.659 176.300 0.012 0.000 1.119 286 R CA 1.423 57.516 56.100 -0.011 0.000 0.970 286 R CB -1.406 28.891 30.300 -0.005 0.000 0.864 286 R HN 0.530 nan 8.270 nan 0.000 0.440 287 A N 0.694 123.502 122.820 -0.019 0.000 1.883 287 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 287 A C 2.439 180.080 177.584 0.095 0.000 1.186 287 A CA 1.989 54.059 52.037 0.055 0.000 0.624 287 A CB -1.233 17.659 19.000 -0.179 0.000 0.822 287 A HN 0.404 nan 8.150 nan 0.000 0.444 288 G N -0.595 108.222 108.800 0.029 0.000 2.442 288 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.219 288 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.219 288 G C 1.680 176.595 174.900 0.025 0.000 1.141 288 G CA 1.354 46.472 45.100 0.030 0.000 0.763 288 G HN 0.531 nan 8.290 nan 0.000 0.554 289 R N 1.252 121.763 120.500 0.020 0.000 2.120 289 R HA 0.106 4.446 4.340 -0.000 0.000 0.234 289 R C 2.679 178.990 176.300 0.018 0.000 1.123 289 R CA 1.738 57.847 56.100 0.016 0.000 0.975 289 R CB -0.841 29.468 30.300 0.015 0.000 0.866 289 R HN 0.248 nan 8.270 nan 0.000 0.446 290 A N 0.426 123.268 122.820 0.036 0.000 1.877 290 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 290 A C 2.249 179.828 177.584 -0.008 0.000 1.186 290 A CA 1.880 53.931 52.037 0.024 0.000 0.620 290 A CB -0.518 18.520 19.000 0.062 0.000 0.822 290 A HN 0.410 nan 8.150 nan 0.000 0.443 291 M N -0.780 118.828 119.600 0.012 0.000 2.065 291 M HA -0.160 4.320 4.480 -0.000 0.000 0.259 291 M C 2.278 178.560 176.300 -0.030 0.000 1.069 291 M CA 2.176 57.469 55.300 -0.013 0.000 1.110 291 M CB -1.136 31.473 32.600 0.014 0.000 1.328 291 M HN 0.426 nan 8.290 nan 0.000 0.405 292 T N -0.118 114.428 114.554 -0.014 0.000 2.699 292 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 292 T C 1.819 176.503 174.700 -0.026 0.000 1.036 292 T CA 1.831 63.920 62.100 -0.018 0.000 1.147 292 T CB -0.372 68.493 68.868 -0.006 0.000 0.862 292 T HN 0.240 nan 8.240 nan 0.000 0.446 293 R N 1.606 122.091 120.500 -0.025 0.000 2.115 293 R HA -0.034 4.306 4.340 -0.000 0.000 0.230 293 R C 2.571 178.830 176.300 -0.069 0.000 1.111 293 R CA 1.819 57.902 56.100 -0.027 0.000 0.976 293 R CB -0.730 29.561 30.300 -0.015 0.000 0.870 293 R HN 0.492 nan 8.270 nan 0.000 0.445 294 S N 0.034 115.667 115.700 -0.112 0.000 2.368 294 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 294 S C 2.022 176.524 174.600 -0.163 0.000 1.029 294 S CA 1.220 59.301 58.200 -0.198 0.000 0.988 294 S CB -0.546 62.513 63.200 -0.236 0.000 0.838 294 S HN 0.362 nan 8.310 nan 0.000 0.462 295 L N 1.173 122.332 121.223 -0.106 0.000 2.017 295 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 295 L C 2.983 179.820 176.870 -0.056 0.000 1.073 295 L CA 1.832 56.619 54.840 -0.089 0.000 0.745 295 L CB -0.863 41.154 42.059 -0.071 0.000 0.894 295 L HN 0.396 nan 8.230 nan 0.000 0.432 296 E N 0.498 120.682 120.200 -0.027 0.000 2.049 296 E HA -0.247 4.103 4.350 -0.000 0.000 0.198 296 E C 2.313 178.953 176.600 0.066 0.000 1.007 296 E CA 1.358 57.767 56.400 0.015 0.000 0.809 296 E CB -0.230 29.487 29.700 0.028 0.000 0.749 296 E HN 0.446 nan 8.360 nan 0.000 0.450 297 L N 0.142 121.411 121.223 0.077 0.000 2.201 297 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 297 L C 2.412 179.408 176.870 0.211 0.000 1.105 297 L CA 0.697 55.672 54.840 0.225 0.000 0.775 297 L CB -0.277 41.856 42.059 0.124 0.000 0.913 297 L HN 0.140 nan 8.230 nan 0.000 0.440 298 A N -0.332 122.505 122.820 0.029 0.000 2.016 298 A HA 0.212 4.532 4.320 -0.000 0.000 0.217 298 A C 1.720 179.330 177.584 0.044 0.000 1.162 298 A CA 0.877 52.923 52.037 0.015 0.000 0.662 298 A CB -0.394 18.549 19.000 -0.096 0.000 0.812 298 A HN 0.484 nan 8.150 nan 0.000 0.450 299 G N -1.122 107.694 108.800 0.026 0.000 2.204 299 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.244 299 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.244 299 G C -0.164 174.696 174.900 -0.066 0.000 1.062 299 G CA 0.354 45.456 45.100 0.003 0.000 0.798 299 G HN 0.468 nan 8.290 nan 0.000 0.496 300 L N 0.135 121.293 121.223 -0.108 0.000 2.303 300 L HA 0.842 5.182 4.340 -0.000 0.000 0.266 300 L C 0.896 177.698 176.870 -0.113 0.000 1.011 300 L CA -0.571 54.161 54.840 -0.180 0.000 0.818 300 L CB 2.038 43.919 42.059 -0.296 0.000 1.326 300 L HN 0.399 nan 8.230 nan 0.000 0.435 301 S N -0.220 115.414 115.700 -0.110 0.000 2.681 301 S HA 0.508 4.978 4.470 -0.000 0.000 0.299 301 S C -2.192 172.373 174.600 -0.058 0.000 1.113 301 S CA -1.327 56.835 58.200 -0.063 0.000 1.013 301 S CB 1.828 65.003 63.200 -0.041 0.000 1.076 301 S HN 0.362 nan 8.310 nan 0.000 0.534 302 P HA 0.030 nan 4.420 nan 0.000 0.218 302 P C 1.366 178.666 177.300 -0.000 0.000 1.148 302 P CA 1.674 64.764 63.100 -0.016 0.000 0.822 302 P CB -0.223 31.472 31.700 -0.008 0.000 0.784 303 A N -0.232 122.589 122.820 0.001 0.000 2.121 303 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 303 A C 1.772 179.379 177.584 0.039 0.000 1.154 303 A CA 1.543 53.592 52.037 0.020 0.000 0.679 303 A CB -1.143 17.867 19.000 0.016 0.000 0.795 303 A HN 0.086 nan 8.150 nan 0.000 0.458 304 D N -0.112 120.295 120.400 0.012 0.000 2.312 304 D HA -0.002 4.638 4.640 -0.000 0.000 0.211 304 D C 0.348 176.731 176.300 0.138 0.000 0.964 304 D CA 0.460 54.481 54.000 0.035 0.000 0.877 304 D CB -0.033 40.658 40.800 -0.182 0.000 0.924 304 D HN 0.258 nan 8.370 nan 0.000 0.515 305 I N 1.954 122.581 120.570 0.095 0.000 2.337 305 I HA 0.013 4.183 4.170 -0.000 0.000 0.291 305 I C 1.015 177.230 176.117 0.163 0.000 1.046 305 I CA 0.002 61.385 61.300 0.138 0.000 1.324 305 I CB 1.092 39.135 38.000 0.072 0.000 1.409 305 I HN -0.213 nan 8.210 nan 0.000 0.494 306 D N 3.455 123.996 120.400 0.236 0.000 2.301 306 D HA -0.023 4.617 4.640 -0.000 0.000 0.206 306 D C 0.435 176.907 176.300 0.287 0.000 0.979 306 D CA 1.113 55.279 54.000 0.277 0.000 0.874 306 D CB 0.453 41.479 40.800 0.376 0.000 0.968 306 D HN 0.554 nan 8.370 nan 0.000 0.510 307 H N -0.392 118.732 119.070 0.090 0.000 2.865 307 H HA 0.454 5.010 4.556 -0.000 0.000 0.362 307 H C -1.677 173.660 175.328 0.016 0.000 1.114 307 H CA -0.648 55.391 56.048 -0.016 0.000 1.208 307 H CB 1.422 31.087 29.762 -0.160 0.000 1.727 307 H HN -0.368 nan 8.280 nan 0.000 0.534 308 V N 5.284 124.942 119.914 -0.427 0.000 2.487 308 V HA 0.261 4.381 4.120 -0.000 0.000 0.298 308 V C -0.101 175.636 176.094 -0.595 0.000 1.028 308 V CA -1.043 60.997 62.300 -0.434 0.000 0.860 308 V CB 1.497 33.231 31.823 -0.148 0.000 0.991 308 V HN 0.821 nan 8.190 nan 0.000 0.427 309 N N 3.914 122.318 118.700 -0.494 0.000 2.462 309 N HA 0.411 5.151 4.740 -0.000 0.000 0.242 309 N C -0.101 175.358 175.510 -0.085 0.000 1.010 309 N CA -0.177 52.756 53.050 -0.194 0.000 0.939 309 N CB 1.733 40.185 38.487 -0.058 0.000 1.127 309 N HN 0.831 nan 8.380 nan 0.000 0.509 310 A N 3.033 125.848 122.820 -0.007 0.000 2.401 310 A HA 0.101 4.421 4.320 -0.000 0.000 0.259 310 A C 1.174 178.778 177.584 0.033 0.000 1.103 310 A CA -0.220 51.885 52.037 0.112 0.000 0.789 310 A CB 0.205 19.426 19.000 0.368 0.000 1.035 310 A HN 0.917 nan 8.150 nan 0.000 0.491 311 H N 2.693 121.745 119.070 -0.030 0.000 2.352 311 H HA -0.018 4.538 4.556 -0.000 0.000 0.299 311 H C 1.615 176.861 175.328 -0.137 0.000 1.097 311 H CA 1.808 57.790 56.048 -0.109 0.000 1.311 311 H CB -0.364 29.373 29.762 -0.042 0.000 1.377 311 H HN 1.167 nan 8.280 nan 0.000 0.504 312 G N 0.464 109.216 108.800 -0.080 0.000 2.101 312 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.247 312 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.247 312 G C 1.083 175.736 174.900 -0.411 0.000 0.740 312 G CA 0.899 45.762 45.100 -0.395 0.000 1.130 312 G HN 0.747 nan 8.290 nan 0.000 0.342 313 T N -1.332 113.036 114.554 -0.310 0.000 3.023 313 T HA 0.391 4.741 4.350 -0.000 0.000 0.266 313 T C 1.913 176.555 174.700 -0.097 0.000 1.093 313 T CA 1.457 63.419 62.100 -0.230 0.000 1.129 313 T CB 0.054 68.891 68.868 -0.051 0.000 0.899 313 T HN 2.371 nan 8.240 nan 0.000 0.491 314 A N 0.850 123.576 122.820 -0.157 0.000 3.141 314 A HA -0.105 4.215 4.320 -0.000 0.000 0.242 314 A C 0.752 178.323 177.584 -0.022 0.000 1.313 314 A CA 0.785 52.761 52.037 -0.102 0.000 1.060 314 A CB -2.887 16.077 19.000 -0.060 0.000 1.153 314 A HN 1.247 nan 8.150 nan 0.000 0.847 315 T N -2.746 111.820 114.554 0.019 0.000 2.897 315 T HA 0.553 4.903 4.350 -0.000 0.000 0.294 315 T C -1.089 173.623 174.700 0.020 0.000 1.004 315 T CA -1.079 61.055 62.100 0.056 0.000 1.106 315 T CB 1.273 70.220 68.868 0.132 0.000 0.949 315 T HN 0.035 nan 8.240 nan 0.000 0.520 316 P HA -0.091 nan 4.420 nan 0.000 0.215 316 P C 1.724 179.037 177.300 0.022 0.000 1.157 316 P CA 1.079 64.191 63.100 0.019 0.000 0.868 316 P CB -0.175 31.535 31.700 0.018 0.000 0.788 317 I N -4.197 116.390 120.570 0.027 0.000 2.500 317 I HA 0.066 4.236 4.170 -0.000 0.000 0.252 317 I C 2.211 178.335 176.117 0.013 0.000 1.142 317 I CA 1.613 62.924 61.300 0.018 0.000 1.451 317 I CB -1.538 36.472 38.000 0.017 0.000 1.093 317 I HN -0.164 nan 8.210 nan 0.000 0.430 318 G N 1.523 110.344 108.800 0.035 0.000 2.404 318 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.215 318 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.215 318 G C 1.151 176.052 174.900 0.003 0.000 1.174 318 G CA 1.096 46.217 45.100 0.035 0.000 0.780 318 G HN 0.362 nan 8.290 nan 0.000 0.537 319 D N 1.105 121.485 120.400 -0.034 0.000 2.117 319 D HA -0.001 4.639 4.640 -0.000 0.000 0.198 319 D C 2.789 179.179 176.300 0.149 0.000 0.982 319 D CA 1.171 55.141 54.000 -0.050 0.000 0.828 319 D CB -0.522 40.127 40.800 -0.252 0.000 0.967 319 D HN 0.301 nan 8.370 nan 0.000 0.464 320 A N 1.149 124.022 122.820 0.088 0.000 1.877 320 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 320 A C 2.328 179.931 177.584 0.033 0.000 1.186 320 A CA 2.344 54.428 52.037 0.078 0.000 0.620 320 A CB -0.840 18.183 19.000 0.038 0.000 0.822 320 A HN 0.238 nan 8.150 nan 0.000 0.443 321 A N -0.543 122.263 122.820 -0.025 0.000 1.933 321 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 321 A C 2.034 179.554 177.584 -0.108 0.000 1.175 321 A CA 1.874 53.848 52.037 -0.106 0.000 0.628 321 A CB -0.510 18.383 19.000 -0.179 0.000 0.814 321 A HN 0.689 nan 8.150 nan 0.000 0.444 322 E N -0.252 119.926 120.200 -0.037 0.000 2.072 322 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 322 E C 2.151 178.822 176.600 0.118 0.000 0.985 322 E CA 0.882 57.309 56.400 0.045 0.000 0.801 322 E CB -0.254 29.596 29.700 0.250 0.000 0.750 322 E HN 0.530 nan 8.360 nan 0.000 0.452 323 A N 1.351 124.270 122.820 0.165 0.000 1.908 323 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 323 A C 1.966 179.563 177.584 0.021 0.000 1.181 323 A CA 1.766 53.848 52.037 0.075 0.000 0.627 323 A CB -0.715 18.335 19.000 0.084 0.000 0.818 323 A HN 0.263 nan 8.150 nan 0.000 0.445 324 N N 0.310 119.014 118.700 0.006 0.000 2.120 324 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 324 N C 1.881 177.374 175.510 -0.027 0.000 1.024 324 N CA 1.581 54.618 53.050 -0.021 0.000 0.852 324 N CB -0.583 37.876 38.487 -0.046 0.000 1.003 324 N HN 0.477 nan 8.380 nan 0.000 0.424 325 A N 0.963 123.762 122.820 -0.034 0.000 1.877 325 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 325 A C 2.348 179.943 177.584 0.017 0.000 1.186 325 A CA 1.000 53.024 52.037 -0.022 0.000 0.620 325 A CB -0.692 18.285 19.000 -0.039 0.000 0.822 325 A HN 0.235 nan 8.150 nan 0.000 0.443 326 I N -0.848 119.740 120.570 0.031 0.000 2.226 326 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 326 I C 2.768 178.886 176.117 0.002 0.000 1.100 326 I CA 1.383 62.696 61.300 0.022 0.000 1.374 326 I CB -0.310 37.696 38.000 0.009 0.000 1.057 326 I HN 0.277 nan 8.210 nan 0.000 0.413 327 R N 0.090 120.587 120.500 -0.005 0.000 2.081 327 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 327 R C 2.313 178.609 176.300 -0.006 0.000 1.131 327 R CA 1.323 57.418 56.100 -0.008 0.000 0.960 327 R CB -0.552 29.742 30.300 -0.010 0.000 0.856 327 R HN 0.222 nan 8.270 nan 0.000 0.436 328 V N 1.058 120.967 119.914 -0.008 0.000 2.332 328 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 328 V C 2.318 178.410 176.094 -0.003 0.000 1.055 328 V CA 2.021 64.316 62.300 -0.009 0.000 1.038 328 V CB -0.616 31.198 31.823 -0.016 0.000 0.651 328 V HN 0.425 nan 8.190 nan 0.000 0.450 329 A N -0.650 122.171 122.820 0.002 0.000 2.168 329 A HA 0.297 4.617 4.320 -0.000 0.000 0.215 329 A C 1.982 179.566 177.584 -0.001 0.000 1.152 329 A CA 1.112 53.150 52.037 0.003 0.000 0.716 329 A CB -0.634 18.372 19.000 0.010 0.000 0.794 329 A HN 1.329 nan 8.150 nan 0.000 0.465 330 G N -2.520 106.279 108.800 -0.001 0.000 2.176 330 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 330 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 330 G C 0.383 175.284 174.900 0.002 0.000 1.024 330 G CA 0.278 45.378 45.100 -0.000 0.000 0.755 330 G HN 0.655 nan 8.290 nan 0.000 0.507 331 C N 0.932 120.233 119.300 0.002 0.000 2.881 331 C HA 0.277 4.737 4.460 -0.000 0.000 0.290 331 C C 1.725 176.715 174.990 0.000 0.000 1.362 331 C CA 0.033 59.054 59.018 0.005 0.000 1.757 331 C CB -0.396 27.346 27.740 0.004 0.000 2.265 331 C HN 0.694 nan 8.230 nan 0.000 0.600 332 D N -0.174 120.223 120.400 -0.005 0.000 2.340 332 D HA -0.068 4.572 4.640 -0.000 0.000 0.220 332 D C 1.393 177.686 176.300 -0.012 0.000 1.039 332 D CA 0.550 54.539 54.000 -0.018 0.000 0.866 332 D CB -0.112 40.675 40.800 -0.022 0.000 0.913 332 D HN 0.373 nan 8.370 nan 0.000 0.523 333 Q N 0.425 120.229 119.800 0.006 0.000 2.360 333 Q HA 0.280 4.620 4.340 -0.000 0.000 0.202 333 Q C 0.608 176.629 176.000 0.035 0.000 0.915 333 Q CA -0.070 55.744 55.803 0.018 0.000 0.943 333 Q CB 0.572 29.324 28.738 0.025 0.000 1.064 333 Q HN 0.369 nan 8.270 nan 0.000 0.511 334 A N 0.991 123.831 122.820 0.032 0.000 2.371 334 A HA 0.554 4.874 4.320 -0.000 0.000 0.257 334 A C 0.051 177.667 177.584 0.053 0.000 1.089 334 A CA -0.011 52.063 52.037 0.061 0.000 0.794 334 A CB 0.340 19.369 19.000 0.048 0.000 1.029 334 A HN 0.245 nan 8.150 nan 0.000 0.488 335 A N 1.810 124.695 122.820 0.108 0.000 2.454 335 A HA 0.501 4.821 4.320 -0.000 0.000 0.260 335 A C -0.042 177.617 177.584 0.125 0.000 1.106 335 A CA -0.132 51.960 52.037 0.093 0.000 0.780 335 A CB -0.260 18.808 19.000 0.113 0.000 1.044 335 A HN 1.001 nan 8.150 nan 0.000 0.498 336 V N 3.865 123.799 119.914 0.033 0.000 2.435 336 V HA 0.337 4.457 4.120 -0.000 0.000 0.290 336 V C -0.644 175.525 176.094 0.125 0.000 1.030 336 V CA -0.439 61.868 62.300 0.012 0.000 0.881 336 V CB 1.112 32.829 31.823 -0.177 0.000 0.983 336 V HN 0.776 nan 8.190 nan 0.000 0.445 337 Y N 3.871 124.214 120.300 0.071 0.000 2.393 337 Y HA 0.747 5.297 4.550 -0.000 0.000 0.341 337 Y C -0.030 175.934 175.900 0.106 0.000 0.988 337 Y CA -1.741 56.411 58.100 0.086 0.000 1.078 337 Y CB 1.869 40.430 38.460 0.168 0.000 1.203 337 Y HN 0.648 nan 8.280 nan 0.000 0.453 338 A N 8.950 131.653 122.820 -0.196 0.000 2.508 338 A HA 0.451 4.771 4.320 -0.000 0.000 0.336 338 A C -2.254 174.960 177.584 -0.618 0.000 1.360 338 A CA -1.549 50.310 52.037 -0.296 0.000 0.841 338 A CB 0.287 19.279 19.000 -0.013 0.000 1.136 338 A HN 0.631 nan 8.150 nan 0.000 0.489 339 P HA -0.156 nan 4.420 nan 0.000 0.225 339 P C 0.962 178.096 177.300 -0.276 0.000 1.148 339 P CA 1.046 63.738 63.100 -0.679 0.000 0.779 339 P CB 0.245 31.675 31.700 -0.449 0.000 0.780 340 K N 0.574 120.808 120.400 -0.278 0.000 2.280 340 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 340 K C 2.398 178.932 176.600 -0.110 0.000 1.047 340 K CA 1.571 57.739 56.287 -0.198 0.000 0.942 340 K CB -0.461 31.864 32.500 -0.291 0.000 0.739 340 K HN 0.229 nan 8.250 nan 0.000 0.457 341 S N 0.809 116.447 115.700 -0.103 0.000 2.392 341 S HA -0.228 4.242 4.470 -0.000 0.000 0.232 341 S C 2.044 176.650 174.600 0.009 0.000 1.041 341 S CA 1.398 59.584 58.200 -0.024 0.000 1.026 341 S CB -0.166 63.047 63.200 0.021 0.000 0.845 341 S HN 0.334 nan 8.310 nan 0.000 0.465 342 A N 0.261 123.090 122.820 0.015 0.000 2.055 342 A HA 0.588 4.908 4.320 -0.000 0.000 0.205 342 A C 1.932 179.540 177.584 0.040 0.000 1.235 342 A CA 0.141 52.205 52.037 0.046 0.000 0.822 342 A CB -0.008 19.044 19.000 0.087 0.000 0.903 342 A HN 0.473 nan 8.150 nan 0.000 0.473 343 L N -0.684 120.552 121.223 0.022 0.000 2.693 343 L HA 0.364 4.704 4.340 -0.000 0.000 0.235 343 L C 1.338 178.222 176.870 0.023 0.000 1.127 343 L CA 0.271 55.130 54.840 0.032 0.000 0.914 343 L CB -0.052 42.029 42.059 0.037 0.000 1.193 343 L HN 0.555 nan 8.230 nan 0.000 0.502 344 G N 0.408 109.213 108.800 0.007 0.000 2.692 344 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.248 344 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.248 344 G C -0.589 174.332 174.900 0.035 0.000 1.340 344 G CA -0.349 44.774 45.100 0.040 0.000 0.896 344 G HN 0.305 nan 8.290 nan 0.000 0.570 345 H N 0.782 119.855 119.070 0.006 0.000 2.541 345 H HA 0.604 5.160 4.556 0.000 0.000 0.316 345 H C 1.207 176.530 175.328 -0.007 0.000 1.043 345 H CA -0.112 55.880 56.048 -0.092 0.000 1.232 345 H CB 0.924 30.524 29.762 -0.270 0.000 1.406 345 H HN 0.733 nan 8.280 nan 0.000 0.469 346 S N 5.514 121.358 115.700 0.239 0.000 2.574 346 S HA 0.165 4.635 4.470 -0.000 0.000 0.242 346 S C 1.270 175.900 174.600 0.050 0.000 0.982 346 S CA -0.398 57.860 58.200 0.096 0.000 0.977 346 S CB -0.208 63.029 63.200 0.062 0.000 0.814 346 S HN 0.566 nan 8.310 nan 0.000 0.464 347 I N 1.359 121.953 120.570 0.040 0.000 4.906 347 I HA -0.369 3.801 4.170 -0.000 0.000 0.038 347 I C 2.182 178.316 176.117 0.027 0.000 0.635 347 I CA 1.887 63.120 61.300 -0.111 0.000 0.215 347 I CB -2.253 35.624 38.000 -0.206 0.000 0.324 347 I HN 0.433 nan 8.210 nan 0.000 0.150 348 G N 0.195 109.000 108.800 0.007 0.000 2.470 348 G HA2 0.084 4.044 3.960 -0.000 0.000 0.220 348 G HA3 0.084 4.044 3.960 -0.000 0.000 0.220 348 G C 1.450 176.368 174.900 0.030 0.000 1.121 348 G CA 1.774 46.888 45.100 0.022 0.000 0.766 348 G HN 1.023 nan 8.290 nan 0.000 0.553 349 A N -0.321 122.520 122.820 0.034 0.000 2.132 349 A HA 0.368 4.688 4.320 -0.000 0.000 0.213 349 A C 2.343 179.945 177.584 0.031 0.000 1.154 349 A CA 0.963 53.020 52.037 0.034 0.000 0.753 349 A CB -0.213 18.810 19.000 0.039 0.000 0.826 349 A HN 0.256 nan 8.150 nan 0.000 0.469 350 V N 0.113 120.052 119.914 0.042 0.000 2.407 350 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 350 V C 2.406 178.494 176.094 -0.009 0.000 1.055 350 V CA 2.354 64.661 62.300 0.012 0.000 1.049 350 V CB -0.633 31.184 31.823 -0.011 0.000 0.662 350 V HN 0.531 nan 8.190 nan 0.000 0.455 351 G N -1.314 107.494 108.800 0.014 0.000 2.448 351 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.218 351 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.218 351 G C 1.667 176.569 174.900 0.003 0.000 1.135 351 G CA 0.863 45.962 45.100 -0.001 0.000 0.784 351 G HN 0.678 nan 8.290 nan 0.000 0.543 352 A N 0.502 123.328 122.820 0.011 0.000 1.898 352 A HA 0.188 4.508 4.320 -0.000 0.000 0.214 352 A C 2.271 179.853 177.584 -0.004 0.000 1.183 352 A CA 1.419 53.466 52.037 0.017 0.000 0.622 352 A CB -0.381 18.633 19.000 0.024 0.000 0.824 352 A HN 0.418 nan 8.150 nan 0.000 0.444 353 L N 0.489 121.708 121.223 -0.006 0.000 1.989 353 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 353 L C 2.041 178.891 176.870 -0.032 0.000 1.071 353 L CA 2.670 57.502 54.840 -0.013 0.000 0.749 353 L CB -0.880 41.179 42.059 -0.001 0.000 0.890 353 L HN 0.525 nan 8.230 nan 0.000 0.431 354 E N -0.907 119.270 120.200 -0.038 0.000 2.204 354 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 354 E C 2.104 178.661 176.600 -0.072 0.000 0.989 354 E CA 1.120 57.493 56.400 -0.045 0.000 0.824 354 E CB -0.090 29.570 29.700 -0.067 0.000 0.756 354 E HN 0.522 nan 8.360 nan 0.000 0.477 355 S N 0.341 116.001 115.700 -0.068 0.000 2.368 355 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 355 S C 2.184 176.584 174.600 -0.334 0.000 1.030 355 S CA 0.803 58.921 58.200 -0.136 0.000 0.999 355 S CB -0.094 63.145 63.200 0.066 0.000 0.844 355 S HN 0.074 nan 8.310 nan 0.000 0.459 356 V N 2.457 122.248 119.914 -0.206 0.000 2.295 356 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 356 V C 2.199 178.096 176.094 -0.327 0.000 1.049 356 V CA 1.557 63.711 62.300 -0.243 0.000 1.024 356 V CB -0.811 30.925 31.823 -0.145 0.000 0.648 356 V HN 0.432 nan 8.190 nan 0.000 0.447 357 L N -0.295 120.793 121.223 -0.224 0.000 2.042 357 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 357 L C 2.632 179.355 176.870 -0.246 0.000 1.076 357 L CA 2.094 56.811 54.840 -0.205 0.000 0.749 357 L CB -1.211 40.922 42.059 0.123 0.000 0.893 357 L HN 0.367 nan 8.230 nan 0.000 0.432 358 T N -0.454 113.982 114.554 -0.197 0.000 2.720 358 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 358 T C 2.030 176.525 174.700 -0.341 0.000 1.037 358 T CA 1.375 63.363 62.100 -0.187 0.000 1.144 358 T CB -0.256 68.442 68.868 -0.283 0.000 0.864 358 T HN 0.067 nan 8.240 nan 0.000 0.444 359 V N 1.605 121.191 119.914 -0.546 0.000 2.295 359 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 359 V C 2.487 178.361 176.094 -0.367 0.000 1.049 359 V CA 1.530 63.559 62.300 -0.453 0.000 1.024 359 V CB -0.661 30.896 31.823 -0.443 0.000 0.648 359 V HN 0.466 nan 8.190 nan 0.000 0.447 360 L N -0.610 120.272 121.223 -0.569 0.000 2.131 360 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 360 L C 2.567 179.169 176.870 -0.447 0.000 1.092 360 L CA 1.690 56.047 54.840 -0.805 0.000 0.759 360 L CB -1.012 39.953 42.059 -1.824 0.000 0.903 360 L HN 0.356 nan 8.230 nan 0.000 0.435 361 T N 0.415 114.805 114.554 -0.273 0.000 2.777 361 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 361 T C 1.997 176.721 174.700 0.041 0.000 1.040 361 T CA 1.183 63.297 62.100 0.023 0.000 1.141 361 T CB -0.143 68.631 68.868 -0.157 0.000 0.868 361 T HN 0.186 nan 8.240 nan 0.000 0.444 362 L N 0.363 121.584 121.223 -0.004 0.000 2.027 362 L HA -0.016 4.324 4.340 -0.000 0.000 0.206 362 L C 2.849 179.750 176.870 0.052 0.000 1.074 362 L CA 1.254 56.128 54.840 0.056 0.000 0.745 362 L CB -0.514 41.568 42.059 0.038 0.000 0.898 362 L HN 0.119 nan 8.230 nan 0.000 0.433 363 R N 0.324 120.823 120.500 -0.001 0.000 2.080 363 R HA -0.192 4.148 4.340 -0.000 0.000 0.236 363 R C 1.274 177.619 176.300 0.075 0.000 1.137 363 R CA 2.168 58.278 56.100 0.017 0.000 0.943 363 R CB -0.102 30.170 30.300 -0.048 0.000 0.846 363 R HN 0.319 nan 8.270 nan 0.000 0.431 364 D N -1.672 118.805 120.400 0.128 0.000 2.349 364 D HA 0.132 4.772 4.640 -0.000 0.000 0.214 364 D C 0.599 177.035 176.300 0.227 0.000 1.063 364 D CA 0.878 55.006 54.000 0.213 0.000 0.847 364 D CB 0.769 41.796 40.800 0.379 0.000 0.933 364 D HN 0.532 nan 8.370 nan 0.000 0.513 365 G N 0.881 109.814 108.800 0.222 0.000 2.221 365 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.265 365 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.265 365 G C 0.010 175.090 174.900 0.300 0.000 1.041 365 G CA 0.589 45.837 45.100 0.247 0.000 0.807 365 G HN 0.406 nan 8.290 nan 0.000 0.502 366 V N -0.414 119.634 119.914 0.225 0.000 3.120 366 V HA 0.773 4.893 4.120 -0.000 0.000 0.303 366 V C -0.835 175.091 176.094 -0.280 0.000 1.238 366 V CA -1.158 61.068 62.300 -0.123 0.000 1.008 366 V CB 2.102 33.553 31.823 -0.621 0.000 1.064 366 V HN 0.395 nan 8.190 nan 0.000 0.434 367 I N 6.427 126.716 120.570 -0.469 0.000 2.436 367 I HA 0.500 4.670 4.170 -0.000 0.000 0.289 367 I C -2.426 173.274 176.117 -0.695 0.000 1.010 367 I CA -2.095 58.833 61.300 -0.620 0.000 1.098 367 I CB 2.292 39.914 38.000 -0.629 0.000 1.266 367 I HN 0.476 nan 8.210 nan 0.000 0.434 368 P HA 0.162 nan 4.420 nan 0.000 0.273 368 P C -2.583 174.385 177.300 -0.552 0.000 1.250 368 P CA -1.290 61.350 63.100 -0.767 0.000 0.793 368 P CB -0.252 30.984 31.700 -0.774 0.000 1.011 369 P HA 0.056 nan 4.420 nan 0.000 0.280 369 P C -0.584 176.787 177.300 0.118 0.000 1.244 369 P CA 0.116 63.173 63.100 -0.073 0.000 0.784 369 P CB -0.008 31.671 31.700 -0.035 0.000 0.913 370 T N 4.733 119.408 114.554 0.202 0.000 2.765 370 T HA 0.118 4.468 4.350 -0.000 0.000 0.284 370 T C 0.827 175.633 174.700 0.176 0.000 0.946 370 T CA 0.051 62.295 62.100 0.240 0.000 1.185 370 T CB -0.556 68.401 68.868 0.147 0.000 0.887 370 T HN 0.191 nan 8.240 nan 0.000 0.532 371 L N 4.117 125.432 121.223 0.153 0.000 2.483 371 L HA 0.103 4.443 4.340 -0.000 0.000 0.275 371 L C 1.086 178.038 176.870 0.137 0.000 1.220 371 L CA -0.370 54.542 54.840 0.120 0.000 0.833 371 L CB 0.060 42.170 42.059 0.086 0.000 1.102 371 L HN 0.732 nan 8.230 nan 0.000 0.490 372 N N -0.110 118.661 118.700 0.117 0.000 2.800 372 N HA -0.287 4.453 4.740 -0.000 0.000 0.250 372 N C -0.583 175.007 175.510 0.134 0.000 1.078 372 N CA 0.865 53.973 53.050 0.097 0.000 0.804 372 N CB -1.514 37.012 38.487 0.066 0.000 1.135 372 N HN 0.578 nan 8.380 nan 0.000 0.565 373 Y N 1.594 121.927 120.300 0.054 0.000 2.595 373 Y HA 0.283 4.833 4.550 -0.000 0.000 0.347 373 Y C 1.274 177.203 175.900 0.049 0.000 1.025 373 Y CA 0.223 58.362 58.100 0.066 0.000 1.295 373 Y CB 0.297 38.811 38.460 0.090 0.000 1.147 373 Y HN 0.051 nan 8.280 nan 0.000 0.515 374 E N 1.688 121.722 120.200 -0.276 0.000 2.414 374 E HA 0.149 4.499 4.350 -0.000 0.000 0.208 374 E C -0.421 176.038 176.600 -0.235 0.000 0.820 374 E CA 0.250 56.544 56.400 -0.176 0.000 1.143 374 E CB 0.955 30.609 29.700 -0.076 0.000 1.150 374 E HN 0.375 nan 8.360 nan 0.000 0.540 375 T N 3.157 117.525 114.554 -0.309 0.000 2.930 375 T HA 0.327 4.677 4.350 -0.000 0.000 0.313 375 T C -2.775 171.739 174.700 -0.309 0.000 1.019 375 T CA -1.490 60.472 62.100 -0.229 0.000 1.004 375 T CB 1.789 70.584 68.868 -0.121 0.000 0.987 375 T HN -0.163 nan 8.240 nan 0.000 0.456 376 P HA 0.112 nan 4.420 nan 0.000 0.266 376 P C -0.498 176.785 177.300 -0.029 0.000 1.195 376 P CA -0.156 62.861 63.100 -0.138 0.000 0.768 376 P CB 0.501 32.192 31.700 -0.016 0.000 0.838 377 D N 3.548 123.980 120.400 0.054 0.000 2.280 377 D HA 0.195 4.835 4.640 -0.000 0.000 0.236 377 D C -1.745 174.596 176.300 0.068 0.000 1.082 377 D CA -2.366 51.672 54.000 0.065 0.000 0.834 377 D CB 1.054 41.919 40.800 0.107 0.000 1.100 377 D HN 0.069 nan 8.370 nan 0.000 0.486 378 P HA -0.070 nan 4.420 nan 0.000 0.222 378 P C 0.730 178.053 177.300 0.039 0.000 1.147 378 P CA 0.724 63.846 63.100 0.037 0.000 0.790 378 P CB 0.504 32.218 31.700 0.024 0.000 0.780 379 E N -1.226 119.002 120.200 0.047 0.000 2.371 379 E HA -0.004 4.346 4.350 -0.000 0.000 0.194 379 E C 1.806 178.441 176.600 0.058 0.000 1.012 379 E CA 0.437 56.863 56.400 0.044 0.000 0.860 379 E CB -0.338 29.387 29.700 0.042 0.000 0.811 379 E HN 0.251 nan 8.360 nan 0.000 0.502 380 I N 0.657 121.277 120.570 0.083 0.000 2.270 380 I HA -0.130 4.040 4.170 -0.000 0.000 0.239 380 I C 0.598 176.728 176.117 0.023 0.000 1.080 380 I CA 0.612 61.967 61.300 0.091 0.000 1.383 380 I CB -0.980 37.125 38.000 0.175 0.000 1.097 380 I HN 0.067 nan 8.210 nan 0.000 0.420 381 D N 1.532 121.950 120.400 0.029 0.000 2.697 381 D HA -0.205 4.435 4.640 -0.000 0.000 0.235 381 D C -0.468 175.811 176.300 -0.036 0.000 1.167 381 D CA 0.522 54.527 54.000 0.007 0.000 0.656 381 D CB -0.977 39.828 40.800 0.008 0.000 1.025 381 D HN 0.191 nan 8.370 nan 0.000 0.419 382 L N 0.044 121.220 121.223 -0.079 0.000 2.323 382 L HA 0.400 4.740 4.340 -0.000 0.000 0.265 382 L C 0.544 177.337 176.870 -0.128 0.000 1.012 382 L CA -1.163 53.587 54.840 -0.150 0.000 0.820 382 L CB 1.507 43.368 42.059 -0.330 0.000 1.334 382 L HN -0.163 nan 8.230 nan 0.000 0.427 383 D N 1.572 121.904 120.400 -0.112 0.000 2.551 383 D HA 0.160 4.800 4.640 -0.000 0.000 0.223 383 D C -0.609 175.606 176.300 -0.143 0.000 1.144 383 D CA -0.127 53.824 54.000 -0.082 0.000 1.025 383 D CB 0.217 40.999 40.800 -0.030 0.000 1.085 383 D HN 0.048 nan 8.370 nan 0.000 0.506 384 V N 3.866 123.631 119.914 -0.250 0.000 2.439 384 V HA 0.057 4.177 4.120 -0.000 0.000 0.271 384 V C 0.722 176.659 176.094 -0.261 0.000 1.040 384 V CA -0.753 61.313 62.300 -0.390 0.000 1.002 384 V CB 1.302 32.575 31.823 -0.917 0.000 1.000 384 V HN 0.200 nan 8.190 nan 0.000 0.477 385 V N 5.633 125.470 119.914 -0.128 0.000 2.529 385 V HA 0.526 4.646 4.120 -0.000 0.000 0.292 385 V C 0.598 176.659 176.094 -0.055 0.000 1.028 385 V CA 0.781 63.041 62.300 -0.067 0.000 1.074 385 V CB 0.503 32.290 31.823 -0.061 0.000 0.958 385 V HN 1.107 nan 8.190 nan 0.000 0.481 386 A N 3.749 126.562 122.820 -0.012 0.000 2.610 386 A HA 0.814 5.134 4.320 -0.000 0.000 0.291 386 A C 0.700 178.319 177.584 0.058 0.000 1.086 386 A CA 0.213 52.284 52.037 0.056 0.000 0.677 386 A CB 1.242 20.345 19.000 0.171 0.000 1.278 386 A HN 1.803 nan 8.150 nan 0.000 0.414 387 G N -0.150 108.689 108.800 0.065 0.000 3.757 387 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.215 387 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.215 387 G C 0.231 175.141 174.900 0.016 0.000 1.411 387 G CA 1.103 46.231 45.100 0.047 0.000 0.896 387 G HN 1.230 nan 8.290 nan 0.000 0.581 388 E N 1.606 121.807 120.200 0.001 0.000 2.369 388 E HA 0.650 5.000 4.350 -0.000 0.000 0.270 388 E C -2.534 174.025 176.600 -0.069 0.000 0.909 388 E CA -1.904 54.485 56.400 -0.018 0.000 0.775 388 E CB 2.419 32.126 29.700 0.012 0.000 1.270 388 E HN 0.240 nan 8.360 nan 0.000 0.445 389 P HA 0.022 nan 4.420 nan 0.000 0.267 389 P C -0.921 176.261 177.300 -0.197 0.000 1.200 389 P CA 0.150 63.096 63.100 -0.256 0.000 0.772 389 P CB 0.431 31.909 31.700 -0.370 0.000 0.855 390 R N 2.533 122.884 120.500 -0.247 0.000 2.295 390 R HA 0.341 4.681 4.340 -0.000 0.000 0.324 390 R C -0.714 175.521 176.300 -0.109 0.000 0.968 390 R CA -0.594 55.450 56.100 -0.093 0.000 0.837 390 R CB 0.314 30.611 30.300 -0.006 0.000 1.133 390 R HN 0.391 nan 8.270 nan 0.000 0.450 391 Y N 1.656 121.984 120.300 0.046 0.000 2.335 391 Y HA 0.639 5.189 4.550 -0.000 0.000 0.323 391 Y C 1.046 176.884 175.900 -0.104 0.000 1.224 391 Y CA 0.381 58.495 58.100 0.023 0.000 1.241 391 Y CB 2.267 40.710 38.460 -0.028 0.000 1.235 391 Y HN 0.801 nan 8.280 nan 0.000 0.492 392 G N 0.856 109.526 108.800 -0.217 0.000 2.387 392 G HA2 0.189 4.149 3.960 -0.000 0.000 0.294 392 G HA3 0.189 4.149 3.960 -0.000 0.000 0.294 392 G C -2.066 172.364 174.900 -0.783 0.000 1.509 392 G CA -1.065 43.664 45.100 -0.620 0.000 0.806 392 G HN 0.444 nan 8.290 nan 0.000 0.546 393 D N 0.306 120.400 120.400 -0.511 0.000 2.558 393 D HA 0.374 5.014 4.640 -0.000 0.000 0.221 393 D C -0.422 175.700 176.300 -0.298 0.000 1.143 393 D CA -0.235 53.577 54.000 -0.313 0.000 1.010 393 D CB -0.396 40.310 40.800 -0.157 0.000 1.068 393 D HN 0.239 nan 8.370 nan 0.000 0.511 394 Y N 2.167 122.464 120.300 -0.006 0.000 2.537 394 Y HA 0.214 4.764 4.550 -0.000 0.000 0.339 394 Y C 1.696 177.570 175.900 -0.043 0.000 1.066 394 Y CA -0.434 57.666 58.100 -0.001 0.000 1.357 394 Y CB 0.743 39.198 38.460 -0.008 0.000 1.175 394 Y HN 0.163 nan 8.280 nan 0.000 0.525 395 R N 1.968 122.498 120.500 0.051 0.000 2.195 395 R HA 0.151 4.491 4.340 -0.000 0.000 0.197 395 R C -0.881 175.119 176.300 -0.501 0.000 0.990 395 R CA 0.338 56.287 56.100 -0.252 0.000 1.048 395 R CB 0.325 30.436 30.300 -0.315 0.000 0.997 395 R HN 0.621 nan 8.270 nan 0.000 0.502 396 Y N -0.883 119.510 120.300 0.155 0.000 2.470 396 Y HA 0.625 5.175 4.550 -0.000 0.000 0.341 396 Y C -0.417 175.577 175.900 0.157 0.000 1.021 396 Y CA -1.182 57.001 58.100 0.138 0.000 1.025 396 Y CB 2.095 40.611 38.460 0.093 0.000 1.266 396 Y HN -0.060 nan 8.280 nan 0.000 0.448 397 A N 1.699 124.704 122.820 0.308 0.000 2.454 397 A HA 0.917 5.237 4.320 -0.000 0.000 0.302 397 A C -1.766 175.909 177.584 0.152 0.000 1.079 397 A CA -0.839 51.327 52.037 0.216 0.000 0.731 397 A CB 1.458 20.616 19.000 0.262 0.000 1.299 397 A HN 0.473 nan 8.150 nan 0.000 0.413 398 V N 1.937 121.869 119.914 0.030 0.000 2.448 398 V HA 0.347 4.467 4.120 -0.000 0.000 0.295 398 V C -0.302 175.773 176.094 -0.031 0.000 1.025 398 V CA -0.729 61.578 62.300 0.011 0.000 0.859 398 V CB 1.598 33.406 31.823 -0.025 0.000 0.988 398 V HN 0.909 nan 8.190 nan 0.000 0.431 399 N N 4.606 123.332 118.700 0.043 0.000 2.419 399 N HA 0.287 5.027 4.740 -0.000 0.000 0.264 399 N C -0.530 174.929 175.510 -0.084 0.000 1.031 399 N CA -0.199 52.849 53.050 -0.004 0.000 0.951 399 N CB 0.646 39.191 38.487 0.098 0.000 1.101 399 N HN 0.633 nan 8.380 nan 0.000 0.488 400 N N 1.534 120.147 118.700 -0.145 0.000 2.487 400 N HA 0.442 5.182 4.740 -0.000 0.000 0.292 400 N C -1.183 174.038 175.510 -0.482 0.000 1.108 400 N CA -0.304 52.539 53.050 -0.345 0.000 0.956 400 N CB 1.587 39.875 38.487 -0.331 0.000 1.176 400 N HN 0.418 nan 8.380 nan 0.000 0.484 401 S N 0.745 115.958 115.700 -0.813 0.000 2.540 401 S HA 0.698 5.168 4.470 -0.000 0.000 0.275 401 S C -1.359 172.489 174.600 -1.252 0.000 1.123 401 S CA -0.597 57.095 58.200 -0.847 0.000 0.907 401 S CB 0.944 63.944 63.200 -0.333 0.000 1.081 401 S HN 0.331 nan 8.310 nan 0.000 0.476 402 F N 0.374 119.860 119.950 -0.772 0.000 2.588 402 F HA 0.858 5.385 4.527 -0.000 0.000 0.314 402 F C 0.627 176.261 175.800 -0.276 0.000 1.069 402 F CA -0.747 57.016 58.000 -0.396 0.000 0.931 402 F CB 2.093 40.916 39.000 -0.295 0.000 1.260 402 F HN 0.739 nan 8.300 nan 0.000 0.465 403 G N 0.488 109.407 108.800 0.197 0.000 2.659 403 G HA2 0.565 4.525 3.960 -0.000 0.000 0.296 403 G HA3 0.565 4.525 3.960 -0.000 0.000 0.296 403 G C -1.616 173.515 174.900 0.385 0.000 1.369 403 G CA -0.746 44.487 45.100 0.221 0.000 0.937 403 G HN 0.245 nan 8.290 nan 0.000 0.485 404 F N 0.828 120.912 119.950 0.224 0.000 2.623 404 F HA 0.329 4.856 4.527 -0.000 0.000 0.386 404 F C 1.682 177.579 175.800 0.162 0.000 1.068 404 F CA 1.376 59.481 58.000 0.176 0.000 1.265 404 F CB 0.738 39.834 39.000 0.161 0.000 1.026 404 F HN 1.129 nan 8.300 nan 0.000 0.568 405 G N 1.008 109.921 108.800 0.188 0.000 2.231 405 G HA2 0.098 4.058 3.960 -0.000 0.000 0.206 405 G HA3 0.098 4.058 3.960 -0.000 0.000 0.206 405 G C 0.809 175.487 174.900 -0.370 0.000 0.996 405 G CA 0.126 45.175 45.100 -0.086 0.000 0.645 405 G HN 1.868 nan 8.290 nan 0.000 0.498 406 G N -0.183 108.500 108.800 -0.196 0.000 2.140 406 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.211 406 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.211 406 G C -0.075 174.738 174.900 -0.145 0.000 1.013 406 G CA 0.481 45.511 45.100 -0.117 0.000 0.705 406 G HN 1.299 nan 8.290 nan 0.000 0.508 407 H N 0.813 119.970 119.070 0.146 0.000 2.562 407 H HA 0.370 4.926 4.556 -0.000 0.000 0.314 407 H C -0.073 175.357 175.328 0.170 0.000 1.079 407 H CA -0.298 55.824 56.048 0.124 0.000 1.349 407 H CB 0.795 30.615 29.762 0.096 0.000 1.432 407 H HN 0.263 nan 8.280 nan 0.000 0.479 408 N N 2.999 121.858 118.700 0.264 0.000 2.443 408 N HA 0.229 4.969 4.740 -0.000 0.000 0.269 408 N C -0.745 174.821 175.510 0.093 0.000 0.985 408 N CA -0.467 52.758 53.050 0.292 0.000 0.921 408 N CB 2.799 41.468 38.487 0.302 0.000 1.195 408 N HN 0.207 nan 8.380 nan 0.000 0.492 409 V N 0.926 120.796 119.914 -0.073 0.000 2.483 409 V HA 0.738 4.858 4.120 -0.000 0.000 0.297 409 V C -0.292 175.680 176.094 -0.202 0.000 1.027 409 V CA -0.872 61.350 62.300 -0.130 0.000 0.855 409 V CB 1.435 33.179 31.823 -0.132 0.000 0.995 409 V HN 0.771 nan 8.190 nan 0.000 0.424 410 A N 6.103 128.832 122.820 -0.152 0.000 2.343 410 A HA 0.923 5.243 4.320 -0.000 0.000 0.316 410 A C -1.027 176.436 177.584 -0.201 0.000 1.104 410 A CA -0.526 51.417 52.037 -0.156 0.000 0.768 410 A CB 1.072 20.012 19.000 -0.100 0.000 1.213 410 A HN 0.794 nan 8.150 nan 0.000 0.456 411 L N 2.127 123.233 121.223 -0.196 0.000 2.313 411 L HA 0.675 5.015 4.340 -0.000 0.000 0.283 411 L C 0.389 177.067 176.870 -0.320 0.000 1.013 411 L CA -0.617 54.020 54.840 -0.338 0.000 0.816 411 L CB 1.964 43.848 42.059 -0.291 0.000 1.236 411 L HN 0.790 nan 8.230 nan 0.000 0.419 412 A N 3.832 126.377 122.820 -0.459 0.000 2.260 412 A HA 0.767 5.087 4.320 -0.000 0.000 0.308 412 A C -1.040 176.319 177.584 -0.374 0.000 1.254 412 A CA -0.180 51.689 52.037 -0.280 0.000 0.874 412 A CB 0.169 19.028 19.000 -0.234 0.000 1.153 412 A HN 0.509 nan 8.150 nan 0.000 0.527 413 F N 1.123 121.071 119.950 -0.004 0.000 2.538 413 F HA 0.708 5.235 4.527 -0.000 0.000 0.325 413 F C 0.865 176.742 175.800 0.128 0.000 1.066 413 F CA -0.158 57.862 58.000 0.033 0.000 0.946 413 F CB 2.691 41.699 39.000 0.013 0.000 1.199 413 F HN 0.702 nan 8.300 nan 0.000 0.473 414 G N 1.049 110.037 108.800 0.314 0.000 2.563 414 G HA2 0.528 4.487 3.960 -0.000 0.000 0.302 414 G HA3 0.528 4.487 3.960 -0.000 0.000 0.302 414 G C -1.541 173.416 174.900 0.094 0.000 1.301 414 G CA -1.039 44.160 45.100 0.164 0.000 0.965 414 G HN 0.600 nan 8.290 nan 0.000 0.480 415 R N -0.186 120.287 120.500 -0.045 0.000 2.590 415 R HA 0.220 4.560 4.340 -0.000 0.000 0.274 415 R C -0.464 175.874 176.300 0.064 0.000 1.061 415 R CA -0.280 55.824 56.100 0.007 0.000 1.081 415 R CB 0.353 30.615 30.300 -0.063 0.000 0.984 415 R HN 0.616 nan 8.270 nan 0.000 0.448 416 Y N 0.000 120.298 120.300 -0.004 0.000 2.660 416 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 416 Y CA 0.000 58.106 58.100 0.010 0.000 1.940 416 Y CB 0.000 38.473 38.460 0.022 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758