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 3d64_1_B DATA FIRST_RESID 12 DATA SEQUENCE QDYVVADIAL AGWGRKELNI AETEMPGLVQ IRDEYKAQQP LKGARIAGSL DATA SEQUENCE HMTIQTGVLI ETLKALGADV RWASCNIFST QDHAAAAIVE AGTPVFAFKG DATA SEQUENCE ESLDEYWEFS HRIFEWPNGE FANMILDDGG DATLLLILGS KAEKDRSVIA DATA SEQUENCE RPTNEEEVAL FKSIERHLEI DGSWYSKRLA HIKGVTEETT TGVHRLYQME DATA SEQUENCE KDGRLPFPAF NVNDSVTKSK FDNLYGCRES LVDGIKRATD VMIAGKIAVV DATA SEQUENCE AGYGDVGKGC AQSLRGLGAT VWVTEIDPIC ALQAAMEGYR VVTMEYAADK DATA SEQUENCE ADIFVTATGN YHVINHDHMK AMRHNAIVCN IGHFDSEIDV ASTRQYQWEN DATA SEQUENCE IKPQVDHIIF PDGKRVILLA EGRLVNLGCA TGHPSFVMSN SFTNQTLAQI DATA SEQUENCE ELFTRGGEYA NKVYVLPKHL DEKVARLHLA RIGAQLSELS DDQAAYIGVS DATA SEQUENCE KAGPFKPDHY RY 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.818 176.000 -0.303 0.000 1.003 12 Q CA 0.000 55.608 55.803 -0.325 0.000 1.022 12 Q CB 0.000 28.348 28.738 -0.650 0.000 1.108 13 D N 2.993 123.331 120.400 -0.103 0.000 2.845 13 D HA 0.215 4.856 4.640 0.001 0.000 0.235 13 D C -1.283 175.003 176.300 -0.024 0.000 1.158 13 D CA 0.441 54.460 54.000 0.031 0.000 0.990 13 D CB -0.198 40.641 40.800 0.065 0.000 1.094 13 D HN 0.402 nan 8.370 nan 0.000 0.486 14 Y N -2.467 117.691 120.300 -0.236 0.000 2.732 14 Y HA 0.506 5.056 4.550 0.001 0.000 0.342 14 Y C -1.926 173.744 175.900 -0.383 0.000 1.203 14 Y CA -1.355 56.313 58.100 -0.720 0.000 1.092 14 Y CB 0.766 38.905 38.460 -0.535 0.000 1.345 14 Y HN -0.234 nan 8.280 nan 0.000 0.458 15 V N 3.173 122.908 119.914 -0.299 0.000 2.509 15 V HA 0.662 4.783 4.120 0.001 0.000 0.289 15 V C -0.533 175.562 176.094 0.001 0.000 1.026 15 V CA -0.177 62.086 62.300 -0.062 0.000 0.872 15 V CB 0.901 32.708 31.823 -0.026 0.000 1.017 15 V HN 1.113 nan 8.190 nan 0.000 0.436 16 V N 2.041 122.047 119.914 0.152 0.000 3.158 16 V HA 0.975 5.096 4.120 0.001 0.000 0.311 16 V C 1.032 177.177 176.094 0.084 0.000 1.181 16 V CA 0.139 62.517 62.300 0.130 0.000 1.054 16 V CB 1.826 33.658 31.823 0.015 0.000 1.085 16 V HN 0.709 nan 8.190 nan 0.000 0.446 17 A N 0.136 122.999 122.820 0.072 0.000 1.873 17 A HA 0.135 4.455 4.320 0.001 0.000 0.215 17 A C 0.885 178.458 177.584 -0.017 0.000 1.186 17 A CA 2.203 54.215 52.037 -0.042 0.000 0.616 17 A CB -0.517 18.512 19.000 0.048 0.000 0.823 17 A HN 1.208 nan 8.150 nan 0.000 0.442 18 D N -2.504 117.911 120.400 0.026 0.000 2.369 18 D HA 0.162 4.803 4.640 0.001 0.000 0.212 18 D C -0.160 176.155 176.300 0.025 0.000 1.326 18 D CA -0.547 53.473 54.000 0.033 0.000 0.933 18 D CB 0.225 41.053 40.800 0.047 0.000 1.516 18 D HN -0.035 nan 8.370 nan 0.000 0.557 19 I N 3.099 123.678 120.570 0.015 0.000 3.010 19 I HA 0.012 4.183 4.170 0.001 0.000 0.271 19 I C 1.855 177.966 176.117 -0.011 0.000 1.293 19 I CA 1.299 62.576 61.300 -0.038 0.000 1.452 19 I CB 0.070 38.044 38.000 -0.043 0.000 1.082 19 I HN 0.503 nan 8.210 nan 0.000 0.484 20 A N -0.492 122.343 122.820 0.026 0.000 2.119 20 A HA 0.050 4.371 4.320 0.001 0.000 0.216 20 A C 2.014 179.645 177.584 0.079 0.000 1.152 20 A CA 0.650 52.712 52.037 0.041 0.000 0.708 20 A CB -0.603 18.422 19.000 0.042 0.000 0.805 20 A HN 0.444 nan 8.150 nan 0.000 0.460 21 L N -0.784 120.501 121.223 0.104 0.000 2.610 21 L HA -0.012 4.329 4.340 0.001 0.000 0.232 21 L C 2.674 179.641 176.870 0.162 0.000 1.149 21 L CA 0.404 55.366 54.840 0.202 0.000 0.872 21 L CB -0.383 41.805 42.059 0.215 0.000 0.992 21 L HN 0.434 nan 8.230 nan 0.000 0.447 22 A N 0.680 123.539 122.820 0.065 0.000 1.933 22 A HA -0.117 4.203 4.320 0.001 0.000 0.218 22 A C 2.381 179.995 177.584 0.049 0.000 1.175 22 A CA 1.774 53.816 52.037 0.009 0.000 0.628 22 A CB -0.823 18.152 19.000 -0.041 0.000 0.814 22 A HN 0.428 nan 8.150 nan 0.000 0.444 23 G N -1.745 107.113 108.800 0.096 0.000 2.394 23 G HA2 -0.203 3.758 3.960 0.001 0.000 0.215 23 G HA3 -0.203 3.758 3.960 0.001 0.000 0.215 23 G C 1.341 176.355 174.900 0.190 0.000 1.165 23 G CA 0.962 46.124 45.100 0.103 0.000 0.784 23 G HN 0.628 nan 8.290 nan 0.000 0.535 24 W N 2.211 123.523 121.300 0.021 0.000 2.335 24 W HA -0.024 4.637 4.660 0.001 0.000 0.311 24 W C 2.347 178.940 176.519 0.124 0.000 1.213 24 W CA 1.611 58.979 57.345 0.038 0.000 1.274 24 W CB -0.806 28.650 29.460 -0.006 0.000 1.148 24 W HN 0.101 nan 8.180 nan 0.000 0.498 25 G N 0.305 109.164 108.800 0.099 0.000 2.418 25 G HA2 -0.338 3.622 3.960 0.001 0.000 0.217 25 G HA3 -0.338 3.622 3.960 0.001 0.000 0.217 25 G C 1.592 176.461 174.900 -0.052 0.000 1.158 25 G CA 1.321 46.371 45.100 -0.082 0.000 0.771 25 G HN 0.256 nan 8.290 nan 0.000 0.545 26 R N 0.800 121.299 120.500 -0.001 0.000 2.096 26 R HA 0.060 4.401 4.340 0.001 0.000 0.235 26 R C 2.352 178.667 176.300 0.025 0.000 1.127 26 R CA 1.574 57.669 56.100 -0.008 0.000 0.968 26 R CB -0.506 29.793 30.300 -0.003 0.000 0.861 26 R HN 0.332 nan 8.270 nan 0.000 0.440 27 K N 0.046 120.496 120.400 0.083 0.000 2.057 27 K HA -0.096 4.224 4.320 0.001 0.000 0.207 27 K C 1.927 178.583 176.600 0.093 0.000 1.049 27 K CA 1.640 57.989 56.287 0.103 0.000 0.931 27 K CB 0.001 32.600 32.500 0.165 0.000 0.714 27 K HN 0.172 nan 8.250 nan 0.000 0.440 28 E N 0.636 120.896 120.200 0.100 0.000 2.152 28 E HA -0.131 4.220 4.350 0.001 0.000 0.192 28 E C 2.088 178.694 176.600 0.010 0.000 0.983 28 E CA 0.787 57.229 56.400 0.070 0.000 0.818 28 E CB -0.043 29.699 29.700 0.070 0.000 0.758 28 E HN 0.304 nan 8.360 nan 0.000 0.467 29 L N 1.350 122.555 121.223 -0.029 0.000 2.083 29 L HA -0.180 4.161 4.340 0.001 0.000 0.209 29 L C 2.044 178.902 176.870 -0.019 0.000 1.083 29 L CA 0.845 55.656 54.840 -0.048 0.000 0.752 29 L CB -0.344 41.666 42.059 -0.080 0.000 0.899 29 L HN 0.060 nan 8.230 nan 0.000 0.433 30 N N 0.033 118.732 118.700 -0.002 0.000 2.244 30 N HA -0.117 4.624 4.740 0.001 0.000 0.183 30 N C 1.845 177.365 175.510 0.017 0.000 1.016 30 N CA 1.257 54.311 53.050 0.006 0.000 0.866 30 N CB -0.094 38.401 38.487 0.013 0.000 0.980 30 N HN 0.346 nan 8.380 nan 0.000 0.430 31 I N 0.776 121.363 120.570 0.028 0.000 2.193 31 I HA -0.151 4.019 4.170 0.001 0.000 0.240 31 I C 2.258 178.396 176.117 0.034 0.000 1.084 31 I CA 0.763 62.085 61.300 0.037 0.000 1.365 31 I CB -0.284 37.748 38.000 0.052 0.000 1.064 31 I HN 0.021 nan 8.210 nan 0.000 0.410 32 A N 0.375 123.212 122.820 0.029 0.000 1.978 32 A HA -0.255 4.066 4.320 0.001 0.000 0.220 32 A C 2.157 179.760 177.584 0.031 0.000 1.170 32 A CA 1.765 53.821 52.037 0.032 0.000 0.636 32 A CB -0.659 18.352 19.000 0.017 0.000 0.810 32 A HN 0.460 nan 8.150 nan 0.000 0.448 33 E N -0.725 119.486 120.200 0.017 0.000 2.160 33 E HA -0.176 4.174 4.350 0.001 0.000 0.195 33 E C 2.181 178.795 176.600 0.023 0.000 0.991 33 E CA 1.668 58.075 56.400 0.011 0.000 0.810 33 E CB -0.289 29.410 29.700 -0.001 0.000 0.742 33 E HN 0.894 nan 8.360 nan 0.000 0.466 34 T N -1.008 113.566 114.554 0.032 0.000 2.995 34 T HA -0.050 4.301 4.350 0.001 0.000 0.269 34 T C 1.513 176.256 174.700 0.072 0.000 1.091 34 T CA 0.650 62.774 62.100 0.040 0.000 1.128 34 T CB 0.139 69.028 68.868 0.034 0.000 0.891 34 T HN -0.076 nan 8.240 nan 0.000 0.492 35 E N 0.562 120.814 120.200 0.086 0.000 2.463 35 E HA 0.276 4.627 4.350 0.001 0.000 0.193 35 E C 0.314 177.013 176.600 0.165 0.000 1.041 35 E CA 0.146 56.636 56.400 0.149 0.000 0.879 35 E CB 0.223 29.999 29.700 0.128 0.000 0.997 35 E HN 0.660 nan 8.360 nan 0.000 0.478 36 M N 1.155 120.804 119.600 0.081 0.000 3.124 36 M HA 0.173 4.654 4.480 0.001 0.000 0.298 36 M C -1.926 174.348 176.300 -0.042 0.000 1.403 36 M CA -1.292 54.019 55.300 0.019 0.000 0.651 36 M CB 1.559 34.172 32.600 0.022 0.000 1.412 36 M HN -0.224 nan 8.290 nan 0.000 0.477 37 P HA -0.077 nan 4.420 nan 0.000 0.222 37 P C 1.374 178.478 177.300 -0.326 0.000 1.147 37 P CA 1.392 64.406 63.100 -0.143 0.000 0.790 37 P CB 0.162 31.819 31.700 -0.071 0.000 0.780 38 G N 0.688 109.105 108.800 -0.638 0.000 2.402 38 G HA2 -0.181 3.780 3.960 0.001 0.000 0.216 38 G HA3 -0.181 3.780 3.960 0.001 0.000 0.216 38 G C 1.681 176.456 174.900 -0.209 0.000 1.162 38 G CA 0.413 45.126 45.100 -0.646 0.000 0.777 38 G HN 0.219 nan 8.290 nan 0.000 0.539 39 L N 0.139 121.295 121.223 -0.112 0.000 2.027 39 L HA -0.061 4.280 4.340 0.001 0.000 0.206 39 L C 3.000 179.848 176.870 -0.036 0.000 1.074 39 L CA 0.496 55.315 54.840 -0.035 0.000 0.745 39 L CB -0.472 41.590 42.059 0.004 0.000 0.898 39 L HN 0.088 nan 8.230 nan 0.000 0.433 40 V N -0.421 119.463 119.914 -0.050 0.000 2.358 40 V HA -0.305 3.816 4.120 0.001 0.000 0.246 40 V C 2.399 178.476 176.094 -0.029 0.000 1.047 40 V CA 1.842 64.122 62.300 -0.034 0.000 1.035 40 V CB -0.456 31.349 31.823 -0.030 0.000 0.658 40 V HN 0.500 nan 8.190 nan 0.000 0.452 41 Q N -0.362 119.407 119.800 -0.053 0.000 2.167 41 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 41 Q C 2.173 178.176 176.000 0.006 0.000 0.970 41 Q CA 1.585 57.365 55.803 -0.039 0.000 0.855 41 Q CB -0.161 28.533 28.738 -0.074 0.000 0.911 41 Q HN 0.631 nan 8.270 nan 0.000 0.438 42 I N 0.182 120.768 120.570 0.028 0.000 2.226 42 I HA -0.315 3.856 4.170 0.001 0.000 0.245 42 I C 2.318 178.529 176.117 0.156 0.000 1.100 42 I CA 1.193 62.576 61.300 0.139 0.000 1.374 42 I CB -0.126 37.933 38.000 0.099 0.000 1.057 42 I HN 0.222 nan 8.210 nan 0.000 0.413 43 R N 0.444 120.984 120.500 0.067 0.000 2.091 43 R HA -0.192 4.149 4.340 0.001 0.000 0.238 43 R C 1.766 178.102 176.300 0.060 0.000 1.136 43 R CA 1.747 57.880 56.100 0.054 0.000 0.959 43 R CB -0.329 29.979 30.300 0.014 0.000 0.856 43 R HN 0.379 nan 8.270 nan 0.000 0.437 44 D N -0.162 120.260 120.400 0.037 0.000 2.162 44 D HA -0.127 4.513 4.640 0.001 0.000 0.203 44 D C 1.659 177.963 176.300 0.007 0.000 0.967 44 D CA 0.881 54.890 54.000 0.016 0.000 0.840 44 D CB -0.103 40.696 40.800 -0.001 0.000 0.972 44 D HN 0.309 nan 8.370 nan 0.000 0.482 45 E N -0.750 119.450 120.200 -0.000 0.000 2.152 45 E HA -0.143 4.208 4.350 0.001 0.000 0.192 45 E C 0.627 177.118 176.600 -0.181 0.000 0.983 45 E CA 0.694 57.030 56.400 -0.108 0.000 0.818 45 E CB 0.111 29.708 29.700 -0.171 0.000 0.758 45 E HN 0.311 nan 8.360 nan 0.000 0.467 46 Y N -0.054 120.250 120.300 0.007 0.000 2.584 46 Y HA 0.222 4.772 4.550 0.001 0.000 0.254 46 Y C 1.688 177.595 175.900 0.013 0.000 1.177 46 Y CA -0.311 57.798 58.100 0.015 0.000 1.216 46 Y CB 0.478 38.949 38.460 0.019 0.000 1.172 46 Y HN -0.087 nan 8.280 nan 0.000 0.529 47 K N 0.947 121.418 120.400 0.118 0.000 2.009 47 K HA -0.237 4.084 4.320 0.001 0.000 0.210 47 K C 2.232 178.871 176.600 0.066 0.000 1.049 47 K CA 1.625 57.957 56.287 0.075 0.000 0.929 47 K CB -0.152 32.371 32.500 0.039 0.000 0.714 47 K HN 0.327 nan 8.250 nan 0.000 0.440 48 A N 1.025 123.874 122.820 0.050 0.000 1.902 48 A HA -0.230 4.091 4.320 0.001 0.000 0.217 48 A C 2.072 179.691 177.584 0.059 0.000 1.181 48 A CA 1.753 53.814 52.037 0.040 0.000 0.623 48 A CB -0.634 18.379 19.000 0.021 0.000 0.818 48 A HN 0.607 nan 8.150 nan 0.000 0.443 49 Q N -1.274 118.578 119.800 0.086 0.000 2.297 49 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 49 Q C -0.280 175.789 176.000 0.116 0.000 0.962 49 Q CA 0.631 56.499 55.803 0.109 0.000 0.879 49 Q CB -0.039 28.795 28.738 0.161 0.000 0.947 49 Q HN 0.549 nan 8.270 nan 0.000 0.462 50 Q N 0.196 120.064 119.800 0.114 0.000 2.426 50 Q HA -0.174 4.167 4.340 0.001 0.000 0.359 50 Q C -1.875 174.186 176.000 0.101 0.000 1.381 50 Q CA 0.963 56.819 55.803 0.089 0.000 1.060 50 Q CB -0.807 27.968 28.738 0.063 0.000 1.253 50 Q HN 0.534 nan 8.270 nan 0.000 0.363 51 P HA -0.106 nan 4.420 nan 0.000 0.226 51 P C 1.012 178.416 177.300 0.173 0.000 1.153 51 P CA 0.832 64.014 63.100 0.136 0.000 0.777 51 P CB 0.231 31.976 31.700 0.074 0.000 0.794 52 L N -1.036 120.210 121.223 0.037 0.000 2.769 52 L HA 0.215 4.556 4.340 0.001 0.000 0.240 52 L C 1.192 177.961 176.870 -0.169 0.000 1.163 52 L CA -0.364 54.387 54.840 -0.148 0.000 0.962 52 L CB -0.077 41.857 42.059 -0.208 0.000 1.258 52 L HN -0.104 nan 8.230 nan 0.000 0.513 53 K N 1.094 121.509 120.400 0.025 0.000 2.436 53 K HA 0.178 4.499 4.320 0.001 0.000 0.282 53 K C 1.040 177.713 176.600 0.121 0.000 1.044 53 K CA 1.051 57.366 56.287 0.046 0.000 1.028 53 K CB 0.285 32.831 32.500 0.077 0.000 0.919 53 K HN 0.260 nan 8.250 nan 0.000 0.474 54 G N 2.059 110.879 108.800 0.033 0.000 2.195 54 G HA2 -0.240 3.721 3.960 0.001 0.000 0.224 54 G HA3 -0.240 3.721 3.960 0.001 0.000 0.224 54 G C -0.031 174.852 174.900 -0.029 0.000 0.990 54 G CA -0.045 45.124 45.100 0.114 0.000 0.639 54 G HN 0.886 nan 8.290 nan 0.000 0.514 55 A N 0.337 122.864 122.820 -0.489 0.000 2.331 55 A HA 0.805 5.126 4.320 0.001 0.000 0.283 55 A C 0.501 177.855 177.584 -0.384 0.000 1.142 55 A CA -0.101 51.463 52.037 -0.788 0.000 0.812 55 A CB 0.424 18.662 19.000 -1.270 0.000 1.074 55 A HN 0.425 nan 8.150 nan 0.000 0.497 56 R N 2.388 122.658 120.500 -0.383 0.000 2.412 56 R HA 0.409 4.750 4.340 0.001 0.000 0.304 56 R C -1.360 174.748 176.300 -0.320 0.000 1.066 56 R CA -0.107 55.687 56.100 -0.510 0.000 0.923 56 R CB 1.233 30.868 30.300 -1.108 0.000 1.156 56 R HN 0.707 nan 8.270 nan 0.000 0.513 57 I N 2.240 122.828 120.570 0.031 0.000 2.321 57 I HA 0.335 4.505 4.170 0.001 0.000 0.291 57 I C 0.349 176.583 176.117 0.195 0.000 0.998 57 I CA -0.639 60.697 61.300 0.061 0.000 1.227 57 I CB 1.813 39.835 38.000 0.036 0.000 1.368 57 I HN 0.530 nan 8.210 nan 0.000 0.466 58 A N 5.446 128.284 122.820 0.031 0.000 2.279 58 A HA 0.676 4.996 4.320 0.001 0.000 0.306 58 A C 0.336 177.638 177.584 -0.470 0.000 1.300 58 A CA -0.337 51.567 52.037 -0.222 0.000 0.925 58 A CB 0.153 18.850 19.000 -0.505 0.000 1.152 58 A HN 0.851 nan 8.150 nan 0.000 0.544 59 G N 0.720 109.028 108.800 -0.821 0.000 2.379 59 G HA2 0.489 4.449 3.960 0.001 0.000 0.327 59 G HA3 0.489 4.449 3.960 0.001 0.000 0.327 59 G C -0.343 173.659 174.900 -1.496 0.000 1.145 59 G CA -0.190 43.967 45.100 -1.572 0.000 0.905 59 G HN 0.922 nan 8.290 nan 0.000 0.466 60 S N 2.459 117.594 115.700 -0.941 0.000 2.539 60 S HA 0.640 5.111 4.470 0.001 0.000 0.235 60 S C -0.882 173.518 174.600 -0.332 0.000 1.326 60 S CA -0.662 57.199 58.200 -0.565 0.000 1.183 60 S CB -0.137 62.862 63.200 -0.335 0.000 1.073 60 S HN 0.600 nan 8.310 nan 0.000 0.480 61 L N 4.645 125.765 121.223 -0.172 0.000 2.611 61 L HA 0.421 4.761 4.340 0.001 0.000 0.260 61 L C -0.757 176.230 176.870 0.195 0.000 0.924 61 L CA -0.763 54.105 54.840 0.047 0.000 0.901 61 L CB 1.448 43.656 42.059 0.248 0.000 1.369 61 L HN 0.712 nan 8.230 nan 0.000 0.415 62 H N 4.324 123.505 119.070 0.184 0.000 3.150 62 H HA -0.175 4.381 4.556 0.001 0.000 0.250 62 H C 0.209 175.616 175.328 0.132 0.000 0.796 62 H CA 0.559 56.694 56.048 0.145 0.000 1.449 62 H CB 0.192 30.034 29.762 0.132 0.000 1.353 62 H HN 0.406 nan 8.280 nan 0.000 0.499 63 M N 4.765 124.482 119.600 0.194 0.000 3.213 63 M HA 0.079 4.560 4.480 0.001 0.000 0.275 63 M C -0.021 176.269 176.300 -0.017 0.000 1.424 63 M CA -0.276 55.061 55.300 0.062 0.000 1.561 63 M CB -0.508 32.127 32.600 0.058 0.000 1.109 63 M HN 0.602 nan 8.290 nan 0.000 0.552 64 T N -0.766 113.776 114.554 -0.020 0.000 2.919 64 T HA 0.468 4.818 4.350 0.001 0.000 0.282 64 T C 1.298 175.909 174.700 -0.147 0.000 1.020 64 T CA -1.018 61.042 62.100 -0.067 0.000 0.994 64 T CB 0.799 69.681 68.868 0.023 0.000 1.180 64 T HN 0.300 nan 8.240 nan 0.000 0.566 65 I N 0.464 120.928 120.570 -0.175 0.000 2.286 65 I HA -0.142 4.029 4.170 0.001 0.000 0.248 65 I C 2.614 178.680 176.117 -0.084 0.000 1.115 65 I CA 1.594 62.784 61.300 -0.184 0.000 1.392 65 I CB -1.343 36.559 38.000 -0.163 0.000 1.065 65 I HN 0.711 nan 8.210 nan 0.000 0.418 66 Q N 0.014 119.824 119.800 0.016 0.000 2.079 66 Q HA -0.124 4.217 4.340 0.001 0.000 0.200 66 Q C 2.195 178.309 176.000 0.191 0.000 0.974 66 Q CA 2.000 57.890 55.803 0.145 0.000 0.840 66 Q CB -0.315 28.561 28.738 0.231 0.000 0.898 66 Q HN 0.403 nan 8.270 nan 0.000 0.430 67 T N -0.275 114.325 114.554 0.077 0.000 2.867 67 T HA -0.111 4.240 4.350 0.001 0.000 0.268 67 T C 1.738 176.174 174.700 -0.439 0.000 1.057 67 T CA 1.130 63.061 62.100 -0.281 0.000 1.136 67 T CB -0.536 68.190 68.868 -0.236 0.000 0.874 67 T HN 0.562 nan 8.240 nan 0.000 0.466 68 G N 1.049 109.655 108.800 -0.323 0.000 2.422 68 G HA2 -0.160 3.801 3.960 0.001 0.000 0.218 68 G HA3 -0.160 3.801 3.960 0.001 0.000 0.218 68 G C 1.638 176.371 174.900 -0.278 0.000 1.146 68 G CA 0.796 45.687 45.100 -0.350 0.000 0.769 68 G HN 0.458 nan 8.290 nan 0.000 0.547 69 V N 0.743 120.553 119.914 -0.174 0.000 2.427 69 V HA -0.095 4.025 4.120 0.001 0.000 0.248 69 V C 2.620 178.633 176.094 -0.134 0.000 1.051 69 V CA 1.478 63.713 62.300 -0.109 0.000 1.048 69 V CB -0.410 31.401 31.823 -0.020 0.000 0.666 69 V HN 0.378 nan 8.190 nan 0.000 0.456 70 L N 0.348 121.459 121.223 -0.187 0.000 2.017 70 L HA -0.133 4.208 4.340 0.001 0.000 0.208 70 L C 2.201 178.885 176.870 -0.310 0.000 1.073 70 L CA 1.934 56.626 54.840 -0.247 0.000 0.745 70 L CB -0.567 41.192 42.059 -0.501 0.000 0.894 70 L HN 0.215 nan 8.230 nan 0.000 0.432 71 I N -0.244 120.032 120.570 -0.491 0.000 2.208 71 I HA -0.290 3.881 4.170 0.001 0.000 0.245 71 I C 2.301 178.253 176.117 -0.275 0.000 1.097 71 I CA 1.692 62.682 61.300 -0.517 0.000 1.363 71 I CB -0.423 37.134 38.000 -0.739 0.000 1.051 71 I HN 0.388 nan 8.210 nan 0.000 0.413 72 E N -0.159 119.903 120.200 -0.230 0.000 2.358 72 E HA -0.099 4.252 4.350 0.001 0.000 0.195 72 E C 2.011 178.547 176.600 -0.107 0.000 1.010 72 E CA 1.066 57.375 56.400 -0.150 0.000 0.856 72 E CB -0.021 29.598 29.700 -0.135 0.000 0.795 72 E HN 0.484 nan 8.360 nan 0.000 0.504 73 T N 1.582 116.071 114.554 -0.108 0.000 2.812 73 T HA -0.051 4.300 4.350 0.001 0.000 0.264 73 T C 1.994 176.653 174.700 -0.069 0.000 1.042 73 T CA 0.623 62.680 62.100 -0.071 0.000 1.140 73 T CB -0.074 68.759 68.868 -0.058 0.000 0.870 73 T HN 0.086 nan 8.240 nan 0.000 0.445 74 L N 0.517 121.688 121.223 -0.086 0.000 2.046 74 L HA -0.103 4.238 4.340 0.001 0.000 0.208 74 L C 2.621 179.454 176.870 -0.063 0.000 1.077 74 L CA 1.432 56.230 54.840 -0.070 0.000 0.747 74 L CB -0.464 41.569 42.059 -0.043 0.000 0.896 74 L HN 0.207 nan 8.230 nan 0.000 0.432 75 K N 0.151 120.513 120.400 -0.064 0.000 2.057 75 K HA -0.095 4.225 4.320 0.001 0.000 0.206 75 K C 2.184 178.761 176.600 -0.039 0.000 1.050 75 K CA 1.278 57.536 56.287 -0.049 0.000 0.935 75 K CB -0.289 32.177 32.500 -0.057 0.000 0.715 75 K HN 0.258 nan 8.250 nan 0.000 0.439 76 A N 0.678 123.474 122.820 -0.040 0.000 2.125 76 A HA -0.103 4.218 4.320 0.001 0.000 0.219 76 A C 1.678 179.259 177.584 -0.006 0.000 1.156 76 A CA 1.197 53.222 52.037 -0.021 0.000 0.671 76 A CB -0.165 18.824 19.000 -0.019 0.000 0.794 76 A HN 0.103 nan 8.150 nan 0.000 0.459 77 L N -2.009 119.202 121.223 -0.019 0.000 2.607 77 L HA 0.321 4.661 4.340 0.001 0.000 0.228 77 L C 1.682 178.542 176.870 -0.018 0.000 1.123 77 L CA 1.127 55.960 54.840 -0.012 0.000 0.890 77 L CB 0.083 42.107 42.059 -0.058 0.000 1.103 77 L HN 0.560 nan 8.230 nan 0.000 0.468 78 G N -1.700 107.085 108.800 -0.026 0.000 2.229 78 G HA2 -0.139 3.822 3.960 0.001 0.000 0.189 78 G HA3 -0.139 3.822 3.960 0.001 0.000 0.189 78 G C 0.570 175.438 174.900 -0.053 0.000 1.000 78 G CA -0.133 44.953 45.100 -0.024 0.000 0.663 78 G HN 0.542 nan 8.290 nan 0.000 0.493 79 A N 0.174 122.945 122.820 -0.080 0.000 2.445 79 A HA 0.523 4.844 4.320 0.001 0.000 0.242 79 A C 0.077 177.649 177.584 -0.019 0.000 1.075 79 A CA 0.867 52.845 52.037 -0.100 0.000 0.777 79 A CB 0.433 19.371 19.000 -0.104 0.000 1.013 79 A HN 0.378 nan 8.150 nan 0.000 0.493 80 D N 0.359 120.771 120.400 0.020 0.000 2.168 80 D HA 0.575 5.216 4.640 0.001 0.000 0.246 80 D C -1.004 175.480 176.300 0.306 0.000 1.050 80 D CA -0.009 54.085 54.000 0.156 0.000 0.857 80 D CB 1.456 42.385 40.800 0.215 0.000 1.169 80 D HN 0.199 nan 8.370 nan 0.000 0.453 81 V N 4.087 124.168 119.914 0.278 0.000 2.888 81 V HA 0.563 4.684 4.120 0.001 0.000 0.309 81 V C -0.418 175.718 176.094 0.070 0.000 1.114 81 V CA -0.825 61.638 62.300 0.271 0.000 0.940 81 V CB 2.268 34.210 31.823 0.199 0.000 1.021 81 V HN 0.507 nan 8.190 nan 0.000 0.426 82 R N 2.861 123.377 120.500 0.027 0.000 2.628 82 R HA 0.527 4.867 4.340 0.001 0.000 0.288 82 R C -1.723 174.615 176.300 0.064 0.000 0.980 82 R CA -0.578 55.461 56.100 -0.102 0.000 0.891 82 R CB 2.661 32.668 30.300 -0.488 0.000 1.188 82 R HN 0.695 nan 8.270 nan 0.000 0.450 83 W N 1.453 122.699 121.300 -0.091 0.000 2.936 83 W HA 0.710 5.371 4.660 0.001 0.000 0.338 83 W C -1.367 175.130 176.519 -0.037 0.000 1.121 83 W CA -0.420 56.867 57.345 -0.097 0.000 1.209 83 W CB 2.348 31.724 29.460 -0.140 0.000 1.420 83 W HN 0.684 nan 8.180 nan 0.000 0.516 84 A N 2.104 124.836 122.820 -0.147 0.000 2.527 84 A HA 0.610 4.930 4.320 0.001 0.000 0.293 84 A C -0.922 176.642 177.584 -0.032 0.000 1.117 84 A CA -0.478 51.533 52.037 -0.044 0.000 0.723 84 A CB 1.806 20.717 19.000 -0.148 0.000 1.313 84 A HN 0.390 nan 8.150 nan 0.000 0.411 85 S N -1.115 114.605 115.700 0.032 0.000 2.617 85 S HA 0.302 4.772 4.470 0.001 0.000 0.269 85 S C 0.972 175.573 174.600 0.001 0.000 1.292 85 S CA -0.000 58.234 58.200 0.056 0.000 1.010 85 S CB 0.427 63.687 63.200 0.100 0.000 0.944 85 S HN 1.606 nan 8.310 nan 0.000 0.536 86 C N 2.862 122.117 119.300 -0.076 0.000 2.855 86 C HA 0.527 4.988 4.460 0.001 0.000 0.279 86 C C 0.384 175.333 174.990 -0.070 0.000 1.270 86 C CA -0.896 58.082 59.018 -0.066 0.000 1.702 86 C CB -1.958 25.633 27.740 -0.249 0.000 1.949 86 C HN 0.734 nan 8.230 nan 0.000 0.618 87 N N 0.909 119.596 118.700 -0.022 0.000 2.367 87 N HA 0.287 5.028 4.740 0.001 0.000 0.278 87 N C 0.518 175.938 175.510 -0.150 0.000 1.117 87 N CA -0.372 52.599 53.050 -0.131 0.000 0.867 87 N CB 1.635 40.177 38.487 0.091 0.000 1.649 87 N HN 0.371 nan 8.380 nan 0.000 0.479 88 I N -0.767 119.546 120.570 -0.428 0.000 2.676 88 I HA 0.048 4.218 4.170 0.001 0.000 0.259 88 I C 0.142 175.956 176.117 -0.503 0.000 1.194 88 I CA 1.072 62.040 61.300 -0.554 0.000 1.473 88 I CB -0.228 37.252 38.000 -0.866 0.000 1.096 88 I HN 0.208 nan 8.210 nan 0.000 0.443 89 F N 1.185 121.119 119.950 -0.026 0.000 2.706 89 F HA 0.195 4.723 4.527 0.001 0.000 0.308 89 F C 2.473 178.296 175.800 0.039 0.000 1.095 89 F CA 0.276 58.282 58.000 0.010 0.000 1.244 89 F CB -0.123 38.874 39.000 -0.004 0.000 1.063 89 F HN 0.104 nan 8.300 nan 0.000 0.582 90 S N -1.659 114.166 115.700 0.209 0.000 2.528 90 S HA 0.031 4.502 4.470 0.001 0.000 0.219 90 S C 0.932 175.619 174.600 0.144 0.000 0.985 90 S CA 0.047 58.354 58.200 0.178 0.000 0.914 90 S CB -0.884 62.490 63.200 0.290 0.000 0.776 90 S HN 0.074 nan 8.310 nan 0.000 0.526 91 T N 3.426 118.061 114.554 0.134 0.000 2.902 91 T HA 0.133 4.484 4.350 0.001 0.000 0.301 91 T C -0.269 174.474 174.700 0.072 0.000 1.012 91 T CA 0.261 62.417 62.100 0.094 0.000 1.151 91 T CB 0.542 69.464 68.868 0.091 0.000 0.946 91 T HN 0.432 nan 8.240 nan 0.000 0.542 92 Q N 2.506 122.303 119.800 -0.005 0.000 2.368 92 Q HA 0.157 4.498 4.340 0.001 0.000 0.256 92 Q C 0.297 176.230 176.000 -0.112 0.000 0.980 92 Q CA -0.705 55.062 55.803 -0.061 0.000 0.887 92 Q CB 1.155 29.759 28.738 -0.224 0.000 1.221 92 Q HN 0.570 nan 8.270 nan 0.000 0.458 93 D N 1.195 121.611 120.400 0.027 0.000 2.178 93 D HA -0.171 4.470 4.640 0.001 0.000 0.202 93 D C 1.671 177.952 176.300 -0.032 0.000 0.974 93 D CA 1.239 55.262 54.000 0.038 0.000 0.841 93 D CB 0.203 41.076 40.800 0.121 0.000 0.953 93 D HN 0.655 nan 8.370 nan 0.000 0.478 94 H N 0.277 119.188 119.070 -0.265 0.000 2.462 94 H HA 0.192 4.749 4.556 0.001 0.000 0.292 94 H C 1.828 176.977 175.328 -0.298 0.000 1.049 94 H CA 1.174 57.013 56.048 -0.349 0.000 1.334 94 H CB -0.469 28.797 29.762 -0.828 0.000 1.404 94 H HN 0.041 nan 8.280 nan 0.000 0.544 95 A N 2.040 124.451 122.820 -0.682 0.000 1.855 95 A HA 0.080 4.401 4.320 0.001 0.000 0.215 95 A C 2.835 180.229 177.584 -0.316 0.000 1.191 95 A CA 1.924 53.655 52.037 -0.509 0.000 0.613 95 A CB -1.138 17.565 19.000 -0.496 0.000 0.829 95 A HN 0.561 nan 8.150 nan 0.000 0.442 96 A N 0.024 122.694 122.820 -0.250 0.000 1.892 96 A HA 0.045 4.365 4.320 0.001 0.000 0.218 96 A C 2.525 179.974 177.584 -0.225 0.000 1.188 96 A CA 2.551 54.467 52.037 -0.202 0.000 0.631 96 A CB -1.135 17.794 19.000 -0.118 0.000 0.822 96 A HN 1.119 nan 8.150 nan 0.000 0.447 97 A N -0.340 122.367 122.820 -0.189 0.000 1.877 97 A HA 0.158 4.479 4.320 0.001 0.000 0.216 97 A C 2.530 179.992 177.584 -0.203 0.000 1.186 97 A CA 2.221 54.144 52.037 -0.189 0.000 0.620 97 A CB -1.081 17.862 19.000 -0.095 0.000 0.822 97 A HN 1.154 nan 8.150 nan 0.000 0.443 98 A N -0.381 122.331 122.820 -0.180 0.000 1.933 98 A HA -0.036 4.285 4.320 0.001 0.000 0.218 98 A C 1.991 179.461 177.584 -0.190 0.000 1.175 98 A CA 1.591 53.532 52.037 -0.161 0.000 0.628 98 A CB -0.418 18.493 19.000 -0.148 0.000 0.814 98 A HN 0.410 nan 8.150 nan 0.000 0.444 99 I N -0.364 120.067 120.570 -0.231 0.000 2.286 99 I HA -0.125 4.046 4.170 0.001 0.000 0.245 99 I C 2.503 178.469 176.117 -0.252 0.000 1.104 99 I CA 0.941 62.094 61.300 -0.246 0.000 1.397 99 I CB -1.193 36.630 38.000 -0.295 0.000 1.072 99 I HN 0.130 nan 8.210 nan 0.000 0.417 100 V N 0.918 120.647 119.914 -0.307 0.000 2.295 100 V HA -0.280 3.841 4.120 0.001 0.000 0.246 100 V C 2.551 178.453 176.094 -0.320 0.000 1.049 100 V CA 2.009 64.074 62.300 -0.391 0.000 1.024 100 V CB -0.688 30.733 31.823 -0.669 0.000 0.648 100 V HN 0.453 nan 8.190 nan 0.000 0.447 101 E N 0.273 120.308 120.200 -0.275 0.000 2.209 101 E HA -0.212 4.138 4.350 0.001 0.000 0.196 101 E C 1.891 178.407 176.600 -0.140 0.000 0.993 101 E CA 1.283 57.569 56.400 -0.190 0.000 0.819 101 E CB -0.142 29.472 29.700 -0.144 0.000 0.745 101 E HN 0.597 nan 8.360 nan 0.000 0.477 102 A N -0.326 122.407 122.820 -0.146 0.000 2.251 102 A HA 0.314 4.635 4.320 0.001 0.000 0.209 102 A C 1.444 178.963 177.584 -0.108 0.000 1.187 102 A CA 0.741 52.709 52.037 -0.114 0.000 0.823 102 A CB 0.079 19.009 19.000 -0.117 0.000 0.846 102 A HN 0.425 nan 8.150 nan 0.000 0.486 103 G N -1.773 106.951 108.800 -0.126 0.000 2.143 103 G HA2 -0.131 3.830 3.960 0.001 0.000 0.175 103 G HA3 -0.131 3.830 3.960 0.001 0.000 0.175 103 G C 0.088 174.926 174.900 -0.103 0.000 1.004 103 G CA 0.065 45.106 45.100 -0.099 0.000 0.671 103 G HN 0.496 nan 8.290 nan 0.000 0.512 104 T N 2.474 116.942 114.554 -0.143 0.000 2.779 104 T HA 0.565 4.916 4.350 0.001 0.000 0.280 104 T C -2.588 172.004 174.700 -0.180 0.000 0.987 104 T CA -1.111 60.906 62.100 -0.138 0.000 0.966 104 T CB 2.392 71.175 68.868 -0.142 0.000 0.933 104 T HN 0.003 nan 8.240 nan 0.000 0.442 105 P HA 0.233 nan 4.420 nan 0.000 0.263 105 P C -0.994 176.096 177.300 -0.350 0.000 1.195 105 P CA -0.125 62.821 63.100 -0.257 0.000 0.762 105 P CB 0.453 32.081 31.700 -0.121 0.000 0.799 106 V N 4.962 124.509 119.914 -0.612 0.000 2.735 106 V HA 0.449 4.569 4.120 0.001 0.000 0.310 106 V C -0.496 175.048 176.094 -0.917 0.000 1.061 106 V CA -0.343 61.661 62.300 -0.493 0.000 0.913 106 V CB 1.734 33.386 31.823 -0.284 0.000 1.005 106 V HN 0.290 nan 8.190 nan 0.000 0.428 107 F N 3.105 122.914 119.950 -0.235 0.000 2.550 107 F HA 0.814 5.341 4.527 0.001 0.000 0.348 107 F C 0.298 175.739 175.800 -0.599 0.000 1.219 107 F CA -0.326 57.302 58.000 -0.620 0.000 1.203 107 F CB 1.443 40.070 39.000 -0.621 0.000 1.436 107 F HN 0.575 nan 8.300 nan 0.000 0.541 108 A N 2.730 125.374 122.820 -0.293 0.000 2.532 108 A HA 0.808 5.129 4.320 0.001 0.000 0.296 108 A C -1.574 176.071 177.584 0.101 0.000 1.058 108 A CA -0.648 51.357 52.037 -0.054 0.000 0.729 108 A CB 0.951 19.961 19.000 0.017 0.000 1.285 108 A HN 0.553 nan 8.150 nan 0.000 0.396 109 F N 0.057 120.082 119.950 0.125 0.000 2.631 109 F HA 0.743 5.271 4.527 0.001 0.000 0.308 109 F C -0.496 175.382 175.800 0.129 0.000 1.097 109 F CA -1.041 57.023 58.000 0.108 0.000 0.952 109 F CB 1.561 40.630 39.000 0.115 0.000 1.307 109 F HN 0.584 nan 8.300 nan 0.000 0.450 110 K N 1.359 121.966 120.400 0.344 0.000 2.368 110 K HA 0.467 4.787 4.320 0.001 0.000 0.282 110 K C 0.912 177.733 176.600 0.368 0.000 1.035 110 K CA 0.929 57.378 56.287 0.270 0.000 0.973 110 K CB 0.420 33.072 32.500 0.254 0.000 0.957 110 K HN 1.432 nan 8.250 nan 0.000 0.474 111 G N 2.756 111.709 108.800 0.254 0.000 2.157 111 G HA2 -0.296 3.665 3.960 0.001 0.000 0.248 111 G HA3 -0.296 3.665 3.960 0.001 0.000 0.248 111 G C -0.120 174.856 174.900 0.127 0.000 0.979 111 G CA 0.499 45.780 45.100 0.302 0.000 0.650 111 G HN 0.826 nan 8.290 nan 0.000 0.529 112 E N 0.894 120.958 120.200 -0.226 0.000 2.438 112 E HA 0.432 4.782 4.350 0.001 0.000 0.261 112 E C 0.914 177.355 176.600 -0.264 0.000 1.103 112 E CA 0.148 56.261 56.400 -0.478 0.000 0.959 112 E CB 0.522 29.556 29.700 -1.109 0.000 0.958 112 E HN 0.770 nan 8.360 nan 0.000 0.447 113 S N 2.063 117.673 115.700 -0.150 0.000 2.655 113 S HA 0.128 4.598 4.470 0.001 0.000 0.265 113 S C 1.203 175.698 174.600 -0.176 0.000 1.240 113 S CA -0.819 57.302 58.200 -0.131 0.000 0.986 113 S CB 0.698 63.876 63.200 -0.038 0.000 0.985 113 S HN 0.634 nan 8.310 nan 0.000 0.562 114 L N 0.190 121.338 121.223 -0.125 0.000 2.201 114 L HA -0.080 4.260 4.340 0.001 0.000 0.212 114 L C 1.890 178.798 176.870 0.064 0.000 1.105 114 L CA 1.208 56.005 54.840 -0.071 0.000 0.775 114 L CB -0.615 41.435 42.059 -0.015 0.000 0.913 114 L HN 0.665 nan 8.230 nan 0.000 0.440 115 D N 0.036 120.450 120.400 0.023 0.000 2.123 115 D HA -0.151 4.490 4.640 0.001 0.000 0.200 115 D C 2.119 178.370 176.300 -0.082 0.000 0.976 115 D CA 1.038 55.063 54.000 0.041 0.000 0.831 115 D CB 0.078 40.883 40.800 0.009 0.000 0.974 115 D HN 0.321 nan 8.370 nan 0.000 0.469 116 E N -0.708 119.347 120.200 -0.242 0.000 2.150 116 E HA -0.173 4.178 4.350 0.001 0.000 0.193 116 E C 1.769 177.804 176.600 -0.943 0.000 0.985 116 E CA 0.370 56.368 56.400 -0.671 0.000 0.814 116 E CB -0.098 29.226 29.700 -0.627 0.000 0.752 116 E HN 0.343 nan 8.360 nan 0.000 0.466 117 Y N 0.080 120.020 120.300 -0.600 0.000 2.070 117 Y HA -0.278 4.273 4.550 0.001 0.000 0.280 117 Y C 1.669 177.333 175.900 -0.392 0.000 1.148 117 Y CA 1.822 59.609 58.100 -0.522 0.000 1.125 117 Y CB -0.537 37.549 38.460 -0.623 0.000 0.975 117 Y HN 0.066 nan 8.280 nan 0.000 0.492 118 W N 0.445 121.691 121.300 -0.090 0.000 2.374 118 W HA -0.134 4.527 4.660 0.001 0.000 0.288 118 W C 2.470 179.014 176.519 0.040 0.000 1.218 118 W CA 1.104 58.422 57.345 -0.044 0.000 1.245 118 W CB -0.279 29.242 29.460 0.102 0.000 1.126 118 W HN 0.187 nan 8.180 nan 0.000 0.545 119 E N 0.264 120.550 120.200 0.144 0.000 2.077 119 E HA -0.200 4.151 4.350 0.001 0.000 0.193 119 E C 1.748 178.460 176.600 0.187 0.000 0.989 119 E CA 1.516 57.994 56.400 0.129 0.000 0.800 119 E CB -0.747 28.924 29.700 -0.048 0.000 0.746 119 E HN 0.130 nan 8.360 nan 0.000 0.452 120 F N 0.740 120.661 119.950 -0.049 0.000 2.234 120 F HA -0.018 4.510 4.527 0.001 0.000 0.299 120 F C 2.503 178.167 175.800 -0.226 0.000 1.087 120 F CA 1.074 58.986 58.000 -0.146 0.000 1.340 120 F CB -1.023 37.915 39.000 -0.104 0.000 1.031 120 F HN -0.004 nan 8.300 nan 0.000 0.500 121 S N -1.190 114.477 115.700 -0.054 0.000 2.423 121 S HA -0.185 4.286 4.470 0.001 0.000 0.231 121 S C 1.641 176.269 174.600 0.046 0.000 1.014 121 S CA 1.126 59.266 58.200 -0.099 0.000 0.965 121 S CB -0.485 62.664 63.200 -0.085 0.000 0.785 121 S HN 0.464 nan 8.310 nan 0.000 0.495 122 H N 0.958 120.082 119.070 0.090 0.000 2.403 122 H HA 0.199 4.756 4.556 0.001 0.000 0.298 122 H C 2.308 177.733 175.328 0.161 0.000 1.059 122 H CA 0.840 56.980 56.048 0.154 0.000 1.363 122 H CB 0.104 29.689 29.762 -0.294 0.000 1.410 122 H HN 0.062 nan 8.280 nan 0.000 0.528 123 R N 0.922 121.412 120.500 -0.017 0.000 2.152 123 R HA -0.076 4.265 4.340 0.001 0.000 0.232 123 R C 2.142 178.158 176.300 -0.474 0.000 1.117 123 R CA 1.253 57.099 56.100 -0.423 0.000 0.981 123 R CB -0.540 29.024 30.300 -1.227 0.000 0.870 123 R HN 0.556 nan 8.270 nan 0.000 0.451 124 I N -3.217 117.124 120.570 -0.381 0.000 2.830 124 I HA -0.073 4.098 4.170 0.001 0.000 0.263 124 I C 0.844 176.735 176.117 -0.377 0.000 1.230 124 I CA 1.235 62.273 61.300 -0.435 0.000 1.480 124 I CB -0.263 37.420 38.000 -0.528 0.000 1.095 124 I HN -0.173 nan 8.210 nan 0.000 0.455 125 F N 1.788 121.801 119.950 0.105 0.000 2.664 125 F HA 0.329 4.857 4.527 0.001 0.000 0.303 125 F C 0.519 176.447 175.800 0.212 0.000 1.092 125 F CA -0.390 57.764 58.000 0.257 0.000 1.305 125 F CB -0.036 39.091 39.000 0.212 0.000 1.054 125 F HN 0.073 nan 8.300 nan 0.000 0.565 126 E N 0.148 120.454 120.200 0.176 0.000 2.070 126 E HA 0.148 4.498 4.350 0.001 0.000 0.261 126 E C -1.184 175.370 176.600 -0.077 0.000 0.926 126 E CA -0.455 55.992 56.400 0.077 0.000 0.760 126 E CB 0.459 30.213 29.700 0.090 0.000 1.133 126 E HN 0.108 nan 8.360 nan 0.000 0.420 127 W N 4.056 125.264 121.300 -0.152 0.000 2.512 127 W HA 0.345 5.006 4.660 0.001 0.000 0.335 127 W C -1.892 174.523 176.519 -0.173 0.000 1.088 127 W CA -2.046 55.211 57.345 -0.146 0.000 1.236 127 W CB 0.345 29.699 29.460 -0.176 0.000 1.307 127 W HN 0.314 nan 8.180 nan 0.000 0.567 128 P HA 0.199 nan 4.420 nan 0.000 0.279 128 P C -0.762 176.543 177.300 0.008 0.000 1.252 128 P CA -0.092 63.018 63.100 0.016 0.000 0.811 128 P CB 0.808 32.517 31.700 0.015 0.000 1.035 129 N N -0.481 118.206 118.700 -0.022 0.000 2.818 129 N HA -0.157 4.583 4.740 0.001 0.000 0.250 129 N C 0.779 176.251 175.510 -0.063 0.000 1.108 129 N CA 0.510 53.545 53.050 -0.025 0.000 0.745 129 N CB -1.853 36.635 38.487 0.001 0.000 1.104 129 N HN 0.900 nan 8.380 nan 0.000 0.557 130 G N -0.731 107.993 108.800 -0.128 0.000 2.155 130 G HA2 -0.359 3.602 3.960 0.001 0.000 0.257 130 G HA3 -0.359 3.602 3.960 0.001 0.000 0.257 130 G C -0.071 174.620 174.900 -0.347 0.000 0.983 130 G CA 0.881 45.856 45.100 -0.207 0.000 0.676 130 G HN 0.602 nan 8.290 nan 0.000 0.528 131 E N -1.088 118.926 120.200 -0.310 0.000 2.314 131 E HA 0.675 5.025 4.350 0.001 0.000 0.262 131 E C -0.452 175.749 176.600 -0.665 0.000 1.093 131 E CA -0.354 55.853 56.400 -0.323 0.000 0.908 131 E CB 0.679 30.299 29.700 -0.132 0.000 1.091 131 E HN 0.197 nan 8.360 nan 0.000 0.425 132 F N -0.095 119.593 119.950 -0.436 0.000 2.576 132 F HA 0.416 4.944 4.527 0.001 0.000 0.313 132 F C 0.167 175.458 175.800 -0.848 0.000 1.078 132 F CA -1.101 56.561 58.000 -0.563 0.000 0.921 132 F CB 1.409 39.978 39.000 -0.718 0.000 1.232 132 F HN 0.432 nan 8.300 nan 0.000 0.459 133 A N 1.530 123.925 122.820 -0.707 0.000 2.540 133 A HA 0.208 4.529 4.320 0.001 0.000 0.239 133 A C 0.525 177.984 177.584 -0.209 0.000 1.061 133 A CA 0.049 51.742 52.037 -0.574 0.000 0.758 133 A CB -0.153 18.893 19.000 0.076 0.000 0.991 133 A HN 0.874 nan 8.150 nan 0.000 0.502 134 N N 0.661 119.232 118.700 -0.216 0.000 2.159 134 N HA 0.188 4.929 4.740 0.001 0.000 0.217 134 N C -0.571 174.898 175.510 -0.069 0.000 1.223 134 N CA 0.006 53.014 53.050 -0.071 0.000 0.896 134 N CB 0.493 38.980 38.487 -0.000 0.000 1.064 134 N HN 0.410 nan 8.380 nan 0.000 0.518 135 M N 0.906 120.445 119.600 -0.103 0.000 2.433 135 M HA 0.453 4.934 4.480 0.001 0.000 0.290 135 M C -1.376 174.870 176.300 -0.090 0.000 1.173 135 M CA -0.516 54.719 55.300 -0.109 0.000 0.905 135 M CB 2.458 34.995 32.600 -0.104 0.000 1.692 135 M HN -0.077 nan 8.290 nan 0.000 0.462 136 I N 3.089 123.588 120.570 -0.120 0.000 2.404 136 I HA 0.493 4.663 4.170 0.001 0.000 0.293 136 I C -0.728 175.328 176.117 -0.101 0.000 0.992 136 I CA -0.752 60.495 61.300 -0.088 0.000 1.149 136 I CB 2.146 40.132 38.000 -0.024 0.000 1.315 136 I HN 0.536 nan 8.210 nan 0.000 0.446 137 L N 6.158 127.290 121.223 -0.152 0.000 2.295 137 L HA 0.518 4.859 4.340 0.001 0.000 0.281 137 L C -1.274 175.487 176.870 -0.183 0.000 1.018 137 L CA -0.166 54.596 54.840 -0.129 0.000 0.841 137 L CB 0.828 42.823 42.059 -0.108 0.000 1.218 137 L HN 0.537 nan 8.230 nan 0.000 0.424 138 D N 3.000 123.355 120.400 -0.076 0.000 2.457 138 D HA 0.356 4.997 4.640 0.001 0.000 0.240 138 D C -1.572 174.725 176.300 -0.005 0.000 1.041 138 D CA -0.147 53.817 54.000 -0.060 0.000 0.861 138 D CB 2.430 43.231 40.800 0.001 0.000 1.394 138 D HN 0.447 nan 8.370 nan 0.000 0.473 139 D N 1.111 121.502 120.400 -0.017 0.000 2.473 139 D HA 0.430 5.071 4.640 0.001 0.000 0.253 139 D C 0.710 177.020 176.300 0.016 0.000 1.233 139 D CA -0.248 53.767 54.000 0.025 0.000 0.908 139 D CB 0.832 41.645 40.800 0.021 0.000 1.170 139 D HN 0.634 nan 8.370 nan 0.000 0.558 140 G N 2.414 111.250 108.800 0.060 0.000 2.234 140 G HA2 -0.197 3.763 3.960 0.001 0.000 0.235 140 G HA3 -0.197 3.763 3.960 0.001 0.000 0.235 140 G C 1.029 175.988 174.900 0.098 0.000 0.997 140 G CA 0.387 45.533 45.100 0.077 0.000 0.623 140 G HN 1.531 nan 8.290 nan 0.000 0.514 141 G N -0.321 108.534 108.800 0.090 0.000 2.141 141 G HA2 -0.235 3.725 3.960 0.001 0.000 0.242 141 G HA3 -0.235 3.725 3.960 0.001 0.000 0.242 141 G C 0.670 175.666 174.900 0.161 0.000 0.982 141 G CA 1.087 46.257 45.100 0.117 0.000 0.662 141 G HN 0.649 nan 8.290 nan 0.000 0.527 142 D N 0.442 120.947 120.400 0.175 0.000 2.144 142 D HA 0.123 4.764 4.640 0.001 0.000 0.200 142 D C 2.661 179.149 176.300 0.312 0.000 0.978 142 D CA 1.586 55.767 54.000 0.303 0.000 0.833 142 D CB -0.473 40.479 40.800 0.254 0.000 0.961 142 D HN 0.674 nan 8.370 nan 0.000 0.470 143 A N 0.182 123.122 122.820 0.201 0.000 1.898 143 A HA -0.143 4.178 4.320 0.001 0.000 0.216 143 A C 2.343 180.113 177.584 0.310 0.000 1.181 143 A CA 1.938 54.147 52.037 0.285 0.000 0.620 143 A CB -0.787 18.307 19.000 0.156 0.000 0.819 143 A HN 0.201 nan 8.150 nan 0.000 0.442 144 T N 0.054 114.739 114.554 0.218 0.000 2.770 144 T HA -0.101 4.249 4.350 0.001 0.000 0.263 144 T C 1.851 176.642 174.700 0.152 0.000 1.039 144 T CA 1.402 63.618 62.100 0.193 0.000 1.142 144 T CB -0.388 68.594 68.868 0.190 0.000 0.868 144 T HN 0.322 nan 8.240 nan 0.000 0.435 145 L N 1.285 122.600 121.223 0.154 0.000 2.079 145 L HA -0.020 4.321 4.340 0.001 0.000 0.210 145 L C 2.133 179.032 176.870 0.049 0.000 1.081 145 L CA 1.454 56.359 54.840 0.109 0.000 0.752 145 L CB -0.841 41.309 42.059 0.152 0.000 0.896 145 L HN 0.155 nan 8.230 nan 0.000 0.433 146 L N -0.822 120.456 121.223 0.092 0.000 2.017 146 L HA -0.203 4.137 4.340 0.001 0.000 0.208 146 L C 2.306 179.143 176.870 -0.054 0.000 1.073 146 L CA 1.924 56.764 54.840 0.000 0.000 0.745 146 L CB -0.685 41.434 42.059 0.099 0.000 0.894 146 L HN 0.301 nan 8.230 nan 0.000 0.432 147 L N -1.476 119.744 121.223 -0.005 0.000 2.093 147 L HA -0.184 4.156 4.340 0.001 0.000 0.208 147 L C 2.475 179.346 176.870 0.001 0.000 1.085 147 L CA 0.995 55.848 54.840 0.022 0.000 0.755 147 L CB -0.355 41.627 42.059 -0.128 0.000 0.904 147 L HN 0.275 nan 8.230 nan 0.000 0.435 148 I N -0.684 119.880 120.570 -0.010 0.000 2.333 148 I HA -0.238 3.932 4.170 0.001 0.000 0.246 148 I C 2.218 178.285 176.117 -0.083 0.000 1.106 148 I CA 0.947 62.233 61.300 -0.024 0.000 1.411 148 I CB -0.149 37.851 38.000 0.001 0.000 1.082 148 I HN 0.092 nan 8.210 nan 0.000 0.420 149 L N 0.385 121.537 121.223 -0.118 0.000 2.027 149 L HA 0.002 4.342 4.340 0.001 0.000 0.206 149 L C 2.382 179.075 176.870 -0.295 0.000 1.074 149 L CA 2.187 56.925 54.840 -0.170 0.000 0.745 149 L CB -1.446 40.522 42.059 -0.151 0.000 0.898 149 L HN 0.248 nan 8.230 nan 0.000 0.433 150 G N -1.661 106.837 108.800 -0.503 0.000 2.442 150 G HA2 -0.273 3.688 3.960 0.001 0.000 0.219 150 G HA3 -0.273 3.688 3.960 0.001 0.000 0.219 150 G C 1.660 176.247 174.900 -0.523 0.000 1.141 150 G CA 0.971 45.458 45.100 -1.022 0.000 0.763 150 G HN 0.455 nan 8.290 nan 0.000 0.554 151 S N -0.362 115.220 115.700 -0.198 0.000 2.383 151 S HA -0.027 4.444 4.470 0.001 0.000 0.227 151 S C 2.189 176.765 174.600 -0.041 0.000 1.026 151 S CA 1.226 59.427 58.200 0.002 0.000 0.981 151 S CB -0.150 63.066 63.200 0.027 0.000 0.818 151 S HN 0.434 nan 8.310 nan 0.000 0.472 152 K N 0.864 121.209 120.400 -0.093 0.000 2.155 152 K HA 0.071 4.392 4.320 0.001 0.000 0.203 152 K C 2.038 178.578 176.600 -0.099 0.000 1.052 152 K CA 0.907 57.143 56.287 -0.085 0.000 0.948 152 K CB -0.211 32.233 32.500 -0.094 0.000 0.728 152 K HN 0.310 nan 8.250 nan 0.000 0.448 153 A N 1.148 123.880 122.820 -0.147 0.000 2.121 153 A HA -0.128 4.193 4.320 0.001 0.000 0.218 153 A C 1.588 179.126 177.584 -0.076 0.000 1.154 153 A CA 1.097 53.042 52.037 -0.153 0.000 0.679 153 A CB -0.257 18.602 19.000 -0.235 0.000 0.795 153 A HN 0.387 nan 8.150 nan 0.000 0.458 154 E N -0.376 119.809 120.200 -0.026 0.000 2.153 154 E HA -0.127 4.223 4.350 0.001 0.000 0.194 154 E C 0.979 177.585 176.600 0.009 0.000 0.988 154 E CA 0.908 57.330 56.400 0.035 0.000 0.811 154 E CB 0.046 29.798 29.700 0.087 0.000 0.746 154 E HN 0.275 nan 8.360 nan 0.000 0.466 155 K N 0.255 120.647 120.400 -0.014 0.000 2.413 155 K HA 0.109 4.430 4.320 0.001 0.000 0.204 155 K C -0.490 176.090 176.600 -0.033 0.000 1.041 155 K CA 0.157 56.434 56.287 -0.018 0.000 1.082 155 K CB 1.105 33.596 32.500 -0.016 0.000 0.871 155 K HN -0.054 nan 8.250 nan 0.000 0.535 156 D N 0.430 120.799 120.400 -0.050 0.000 2.491 156 D HA 0.107 4.748 4.640 0.001 0.000 0.232 156 D C 0.353 176.595 176.300 -0.095 0.000 1.334 156 D CA -0.088 53.872 54.000 -0.066 0.000 0.909 156 D CB 0.521 41.281 40.800 -0.067 0.000 1.513 156 D HN -0.275 nan 8.370 nan 0.000 0.514 157 R N 0.744 121.190 120.500 -0.089 0.000 2.339 157 R HA -0.003 4.337 4.340 0.001 0.000 0.199 157 R C 1.684 177.894 176.300 -0.150 0.000 1.018 157 R CA 0.704 56.734 56.100 -0.116 0.000 1.036 157 R CB -0.314 29.936 30.300 -0.082 0.000 0.899 157 R HN 0.457 nan 8.270 nan 0.000 0.473 158 S N 0.081 115.703 115.700 -0.130 0.000 2.436 158 S HA -0.085 4.386 4.470 0.001 0.000 0.228 158 S C 2.072 176.563 174.600 -0.181 0.000 1.014 158 S CA 0.831 58.955 58.200 -0.126 0.000 0.950 158 S CB -0.420 62.730 63.200 -0.085 0.000 0.784 158 S HN 0.167 nan 8.310 nan 0.000 0.504 159 V N 1.097 120.882 119.914 -0.216 0.000 2.759 159 V HA 0.202 4.323 4.120 0.001 0.000 0.256 159 V C 1.743 177.509 176.094 -0.546 0.000 1.080 159 V CA 1.252 63.392 62.300 -0.267 0.000 1.101 159 V CB -1.212 30.482 31.823 -0.216 0.000 0.698 159 V HN 0.780 nan 8.190 nan 0.000 0.477 160 I N -2.581 117.575 120.570 -0.690 0.000 3.736 160 I HA 0.796 4.966 4.170 0.001 0.000 0.338 160 I C 1.334 176.965 176.117 -0.810 0.000 1.558 160 I CA 0.311 60.787 61.300 -1.373 0.000 1.147 160 I CB 0.255 37.700 38.000 -0.926 0.000 1.275 160 I HN 0.055 nan 8.210 nan 0.000 0.454 161 A N 1.323 123.886 122.820 -0.428 0.000 2.055 161 A HA 0.490 4.811 4.320 0.001 0.000 0.205 161 A C 1.700 179.297 177.584 0.022 0.000 1.235 161 A CA 0.508 52.464 52.037 -0.134 0.000 0.822 161 A CB 0.042 18.978 19.000 -0.106 0.000 0.903 161 A HN 0.472 nan 8.150 nan 0.000 0.473 162 R N 1.822 122.368 120.500 0.076 0.000 2.664 162 R HA 0.558 4.899 4.340 0.001 0.000 0.281 162 R C -3.009 173.448 176.300 0.261 0.000 1.383 162 R CA -1.571 54.611 56.100 0.137 0.000 1.563 162 R CB -0.878 29.463 30.300 0.067 0.000 1.131 162 R HN 0.398 nan 8.270 nan 0.000 0.599 163 P HA 0.171 nan 4.420 nan 0.000 0.280 163 P C 0.221 177.527 177.300 0.010 0.000 1.300 163 P CA 0.097 63.252 63.100 0.092 0.000 0.785 163 P CB 1.517 33.186 31.700 -0.053 0.000 0.874 164 T N 1.591 116.143 114.554 -0.003 0.000 2.977 164 T HA -0.074 4.276 4.350 0.001 0.000 0.271 164 T C 0.787 175.476 174.700 -0.018 0.000 1.105 164 T CA 1.106 63.206 62.100 0.001 0.000 1.116 164 T CB -0.341 68.532 68.868 0.009 0.000 0.878 164 T HN 0.594 nan 8.240 nan 0.000 0.509 165 N N -0.231 118.434 118.700 -0.059 0.000 2.555 165 N HA 0.055 4.796 4.740 0.001 0.000 0.265 165 N C -0.042 175.420 175.510 -0.081 0.000 1.135 165 N CA -0.236 52.780 53.050 -0.056 0.000 0.925 165 N CB 1.570 40.024 38.487 -0.055 0.000 1.662 165 N HN -0.186 nan 8.380 nan 0.000 0.489 166 E N 1.517 121.693 120.200 -0.040 0.000 2.204 166 E HA -0.122 4.228 4.350 0.001 0.000 0.195 166 E C 0.845 177.427 176.600 -0.030 0.000 0.990 166 E CA 1.779 58.161 56.400 -0.031 0.000 0.821 166 E CB 0.249 29.944 29.700 -0.008 0.000 0.750 166 E HN 0.631 nan 8.360 nan 0.000 0.477 167 E N -0.228 119.958 120.200 -0.024 0.000 2.170 167 E HA -0.076 4.275 4.350 0.001 0.000 0.191 167 E C 1.812 178.390 176.600 -0.036 0.000 0.981 167 E CA 0.833 57.268 56.400 0.058 0.000 0.830 167 E CB 0.078 29.826 29.700 0.080 0.000 0.775 167 E HN 0.340 nan 8.360 nan 0.000 0.470 168 E N 0.158 120.199 120.200 -0.264 0.000 2.107 168 E HA -0.122 4.228 4.350 0.001 0.000 0.191 168 E C 2.123 178.235 176.600 -0.815 0.000 0.982 168 E CA 0.760 56.710 56.400 -0.750 0.000 0.809 168 E CB 0.173 29.368 29.700 -0.842 0.000 0.756 168 E HN 0.064 nan 8.360 nan 0.000 0.459 169 V N 1.573 121.258 119.914 -0.382 0.000 2.332 169 V HA -0.315 3.805 4.120 0.001 0.000 0.248 169 V C 2.331 178.355 176.094 -0.117 0.000 1.055 169 V CA 2.064 64.251 62.300 -0.188 0.000 1.038 169 V CB -0.697 31.081 31.823 -0.076 0.000 0.651 169 V HN 0.322 nan 8.190 nan 0.000 0.450 170 A N -0.443 122.334 122.820 -0.072 0.000 1.897 170 A HA -0.108 4.213 4.320 0.001 0.000 0.215 170 A C 2.118 179.648 177.584 -0.090 0.000 1.181 170 A CA 1.766 53.833 52.037 0.051 0.000 0.620 170 A CB -0.483 18.674 19.000 0.263 0.000 0.821 170 A HN 0.451 nan 8.150 nan 0.000 0.443 171 L N -1.132 119.813 121.223 -0.463 0.000 1.994 171 L HA -0.062 4.278 4.340 0.001 0.000 0.208 171 L C 2.090 178.798 176.870 -0.270 0.000 1.071 171 L CA 2.032 56.296 54.840 -0.960 0.000 0.745 171 L CB -0.884 40.456 42.059 -1.197 0.000 0.892 171 L HN 0.310 nan 8.230 nan 0.000 0.431 172 F N 0.498 120.277 119.950 -0.284 0.000 2.171 172 F HA -0.140 4.388 4.527 0.001 0.000 0.300 172 F C 2.463 178.193 175.800 -0.115 0.000 1.090 172 F CA 1.107 58.999 58.000 -0.180 0.000 1.293 172 F CB -1.215 37.709 39.000 -0.126 0.000 1.013 172 F HN 0.180 nan 8.300 nan 0.000 0.486 173 K N 0.248 120.708 120.400 0.100 0.000 2.097 173 K HA -0.138 4.183 4.320 0.001 0.000 0.206 173 K C 2.216 178.838 176.600 0.035 0.000 1.049 173 K CA 1.718 58.036 56.287 0.051 0.000 0.933 173 K CB -0.297 32.223 32.500 0.032 0.000 0.717 173 K HN 0.295 nan 8.250 nan 0.000 0.442 174 S N 0.563 116.291 115.700 0.046 0.000 2.428 174 S HA -0.032 4.438 4.470 0.001 0.000 0.230 174 S C 1.946 176.626 174.600 0.133 0.000 1.014 174 S CA 0.590 58.837 58.200 0.078 0.000 0.957 174 S CB -0.306 62.996 63.200 0.171 0.000 0.784 174 S HN 0.173 nan 8.310 nan 0.000 0.499 175 I N 1.382 122.020 120.570 0.113 0.000 2.277 175 I HA -0.038 4.132 4.170 0.001 0.000 0.243 175 I C 2.883 179.069 176.117 0.116 0.000 1.094 175 I CA 1.306 62.692 61.300 0.144 0.000 1.393 175 I CB -0.304 37.653 38.000 -0.071 0.000 1.078 175 I HN 0.301 nan 8.210 nan 0.000 0.417 176 E N 0.866 121.089 120.200 0.040 0.000 2.110 176 E HA -0.267 4.083 4.350 0.001 0.000 0.193 176 E C 2.259 178.856 176.600 -0.005 0.000 0.988 176 E CA 1.103 57.511 56.400 0.013 0.000 0.804 176 E CB 0.009 29.708 29.700 -0.002 0.000 0.745 176 E HN 0.219 nan 8.360 nan 0.000 0.458 177 R N -0.995 119.484 120.500 -0.035 0.000 2.115 177 R HA -0.114 4.226 4.340 0.001 0.000 0.226 177 R C 1.465 177.609 176.300 -0.261 0.000 1.100 177 R CA 1.467 57.480 56.100 -0.145 0.000 0.980 177 R CB -0.039 30.140 30.300 -0.201 0.000 0.875 177 R HN 0.271 nan 8.270 nan 0.000 0.445 178 H N -0.847 118.082 119.070 -0.235 0.000 2.497 178 H HA 0.048 4.605 4.556 0.001 0.000 0.282 178 H C 1.398 176.634 175.328 -0.153 0.000 1.003 178 H CA 0.576 56.387 56.048 -0.395 0.000 1.307 178 H CB 0.359 29.585 29.762 -0.893 0.000 1.437 178 H HN 0.054 nan 8.280 nan 0.000 0.544 179 L N 0.897 122.187 121.223 0.112 0.000 2.083 179 L HA -0.134 4.206 4.340 0.001 0.000 0.209 179 L C 1.984 178.902 176.870 0.080 0.000 1.083 179 L CA 1.563 56.494 54.840 0.152 0.000 0.752 179 L CB -0.581 41.558 42.059 0.133 0.000 0.899 179 L HN 0.311 nan 8.230 nan 0.000 0.433 180 E N -0.514 119.697 120.200 0.019 0.000 2.110 180 E HA -0.155 4.196 4.350 0.001 0.000 0.193 180 E C 2.361 178.966 176.600 0.009 0.000 0.988 180 E CA 1.063 57.463 56.400 0.001 0.000 0.804 180 E CB -0.069 29.611 29.700 -0.034 0.000 0.745 180 E HN 0.488 nan 8.360 nan 0.000 0.458 181 I N 0.343 120.910 120.570 -0.005 0.000 2.353 181 I HA -0.128 4.043 4.170 0.001 0.000 0.248 181 I C 0.671 176.858 176.117 0.116 0.000 1.119 181 I CA 0.805 62.126 61.300 0.035 0.000 1.417 181 I CB 0.171 38.183 38.000 0.019 0.000 1.078 181 I HN -0.078 nan 8.210 nan 0.000 0.421 182 D N -0.356 120.147 120.400 0.172 0.000 2.738 182 D HA 0.177 4.817 4.640 0.001 0.000 0.218 182 D C 0.472 176.902 176.300 0.215 0.000 1.345 182 D CA -0.199 53.925 54.000 0.208 0.000 0.943 182 D CB 1.648 42.623 40.800 0.292 0.000 1.514 182 D HN 0.074 nan 8.370 nan 0.000 0.585 183 G N 1.518 110.409 108.800 0.152 0.000 2.598 183 G HA2 -0.035 3.926 3.960 0.001 0.000 0.215 183 G HA3 -0.035 3.926 3.960 0.001 0.000 0.215 183 G C 0.770 175.774 174.900 0.173 0.000 1.131 183 G CA 0.796 45.982 45.100 0.142 0.000 0.785 183 G HN 0.494 nan 8.290 nan 0.000 0.539 184 S N -1.962 113.846 115.700 0.179 0.000 2.835 184 S HA 0.108 4.579 4.470 0.001 0.000 0.248 184 S C 0.826 175.531 174.600 0.175 0.000 1.070 184 S CA -0.626 57.674 58.200 0.167 0.000 1.090 184 S CB -0.465 62.790 63.200 0.092 0.000 0.978 184 S HN 0.399 nan 8.310 nan 0.000 0.510 185 W N 1.654 122.967 121.300 0.021 0.000 2.335 185 W HA -0.118 4.543 4.660 0.001 0.000 0.311 185 W C 1.204 177.595 176.519 -0.214 0.000 1.213 185 W CA 1.693 58.953 57.345 -0.143 0.000 1.274 185 W CB -0.183 29.067 29.460 -0.350 0.000 1.148 185 W HN 0.541 nan 8.180 nan 0.000 0.498 186 Y N -1.336 119.184 120.300 0.367 0.000 2.231 186 Y HA -0.085 4.466 4.550 0.001 0.000 0.294 186 Y C 2.845 178.761 175.900 0.026 0.000 1.120 186 Y CA 1.457 59.687 58.100 0.217 0.000 1.141 186 Y CB -1.397 37.181 38.460 0.196 0.000 1.022 186 Y HN -0.260 nan 8.280 nan 0.000 0.523 187 S N 0.328 116.149 115.700 0.201 0.000 2.378 187 S HA -0.357 4.113 4.470 0.001 0.000 0.229 187 S C 2.451 177.039 174.600 -0.019 0.000 1.052 187 S CA 2.585 60.827 58.200 0.070 0.000 1.084 187 S CB -0.572 62.669 63.200 0.067 0.000 0.950 187 S HN 0.530 nan 8.310 nan 0.000 0.440 188 K N 0.912 121.284 120.400 -0.047 0.000 2.097 188 K HA -0.036 4.284 4.320 0.001 0.000 0.206 188 K C 2.026 178.511 176.600 -0.192 0.000 1.049 188 K CA 1.694 57.901 56.287 -0.133 0.000 0.933 188 K CB -0.642 31.798 32.500 -0.100 0.000 0.717 188 K HN 0.591 nan 8.250 nan 0.000 0.442 189 R N -0.913 119.504 120.500 -0.139 0.000 2.080 189 R HA 0.147 4.488 4.340 0.001 0.000 0.222 189 R C 2.365 178.629 176.300 -0.061 0.000 1.107 189 R CA 0.776 56.819 56.100 -0.095 0.000 0.980 189 R CB -0.392 29.795 30.300 -0.190 0.000 0.879 189 R HN 0.301 nan 8.270 nan 0.000 0.439 190 L N 1.084 122.275 121.223 -0.054 0.000 2.079 190 L HA -0.097 4.244 4.340 0.001 0.000 0.210 190 L C 2.058 178.936 176.870 0.013 0.000 1.081 190 L CA 1.806 56.650 54.840 0.007 0.000 0.752 190 L CB -0.494 41.592 42.059 0.046 0.000 0.896 190 L HN 0.141 nan 8.230 nan 0.000 0.433 191 A N -2.236 120.533 122.820 -0.085 0.000 2.168 191 A HA -0.155 4.165 4.320 0.001 0.000 0.215 191 A C 1.760 179.182 177.584 -0.270 0.000 1.152 191 A CA 1.232 53.165 52.037 -0.172 0.000 0.716 191 A CB -0.893 17.945 19.000 -0.270 0.000 0.794 191 A HN 0.673 nan 8.150 nan 0.000 0.465 192 H N -1.005 117.968 119.070 -0.162 0.000 2.563 192 H HA 0.220 4.777 4.556 0.001 0.000 0.264 192 H C 0.008 175.277 175.328 -0.098 0.000 0.957 192 H CA -0.153 55.799 56.048 -0.159 0.000 1.173 192 H CB 0.305 29.928 29.762 -0.232 0.000 1.420 192 H HN 0.265 nan 8.280 nan 0.000 0.551 193 I N 1.713 122.281 120.570 -0.003 0.000 2.452 193 I HA -0.034 4.137 4.170 0.001 0.000 0.287 193 I C 0.907 176.947 176.117 -0.129 0.000 1.079 193 I CA 0.494 61.710 61.300 -0.141 0.000 1.387 193 I CB 1.087 38.859 38.000 -0.380 0.000 1.404 193 I HN 0.241 nan 8.210 nan 0.000 0.522 194 K N 3.964 124.294 120.400 -0.116 0.000 2.356 194 K HA 0.310 4.631 4.320 0.001 0.000 0.195 194 K C 0.786 177.332 176.600 -0.091 0.000 1.037 194 K CA 0.128 56.387 56.287 -0.046 0.000 1.014 194 K CB 0.523 33.026 32.500 0.004 0.000 0.815 194 K HN 0.870 nan 8.250 nan 0.000 0.507 195 G N 0.068 108.700 108.800 -0.280 0.000 2.442 195 G HA2 0.353 4.314 3.960 0.001 0.000 0.296 195 G HA3 0.353 4.314 3.960 0.001 0.000 0.296 195 G C -1.809 172.867 174.900 -0.373 0.000 1.564 195 G CA -0.768 44.165 45.100 -0.278 0.000 0.828 195 G HN -0.124 nan 8.290 nan 0.000 0.571 196 V N 0.633 120.407 119.914 -0.233 0.000 2.680 196 V HA 0.852 4.973 4.120 0.001 0.000 0.309 196 V C 0.194 176.283 176.094 -0.008 0.000 1.052 196 V CA -0.392 61.840 62.300 -0.115 0.000 0.908 196 V CB 2.081 33.903 31.823 -0.002 0.000 1.001 196 V HN 1.280 nan 8.190 nan 0.000 0.431 197 T N 0.317 114.884 114.554 0.022 0.000 2.812 197 T HA 0.780 5.130 4.350 0.001 0.000 0.282 197 T C -0.853 173.894 174.700 0.078 0.000 0.990 197 T CA -0.655 61.501 62.100 0.093 0.000 0.960 197 T CB 1.876 70.816 68.868 0.119 0.000 0.948 197 T HN 0.695 nan 8.240 nan 0.000 0.438 198 E N 1.850 122.108 120.200 0.097 0.000 2.248 198 E HA 0.373 4.723 4.350 0.001 0.000 0.267 198 E C 0.258 176.914 176.600 0.093 0.000 0.877 198 E CA -0.768 55.681 56.400 0.082 0.000 0.759 198 E CB 1.703 31.443 29.700 0.066 0.000 1.182 198 E HN 0.859 nan 8.360 nan 0.000 0.418 199 E N 1.859 122.120 120.200 0.103 0.000 2.562 199 E HA 0.158 4.508 4.350 0.001 0.000 0.214 199 E C -0.154 176.514 176.600 0.114 0.000 0.979 199 E CA -0.203 56.267 56.400 0.118 0.000 1.002 199 E CB 0.531 30.328 29.700 0.162 0.000 1.048 199 E HN 0.423 nan 8.360 nan 0.000 0.488 200 T N -2.971 111.644 114.554 0.101 0.000 2.924 200 T HA 0.304 4.654 4.350 0.001 0.000 0.291 200 T C 0.932 175.671 174.700 0.064 0.000 1.045 200 T CA -0.301 61.860 62.100 0.101 0.000 1.015 200 T CB 1.704 70.645 68.868 0.122 0.000 1.103 200 T HN -0.149 nan 8.240 nan 0.000 0.496 201 T N 1.497 116.083 114.554 0.053 0.000 2.708 201 T HA -0.102 4.249 4.350 0.001 0.000 0.266 201 T C 2.068 176.727 174.700 -0.069 0.000 1.037 201 T CA 2.201 64.271 62.100 -0.049 0.000 1.146 201 T CB -0.825 68.044 68.868 0.001 0.000 0.865 201 T HN 0.813 nan 8.240 nan 0.000 0.435 202 T N 1.093 115.705 114.554 0.097 0.000 2.684 202 T HA -0.069 4.282 4.350 0.001 0.000 0.267 202 T C 2.230 177.021 174.700 0.152 0.000 1.036 202 T CA 1.429 63.636 62.100 0.179 0.000 1.148 202 T CB -0.889 68.101 68.868 0.203 0.000 0.863 202 T HN 0.527 nan 8.240 nan 0.000 0.436 203 G N 0.590 109.457 108.800 0.113 0.000 2.422 203 G HA2 -0.150 3.810 3.960 0.001 0.000 0.218 203 G HA3 -0.150 3.810 3.960 0.001 0.000 0.218 203 G C 1.689 176.634 174.900 0.076 0.000 1.146 203 G CA 0.746 45.906 45.100 0.100 0.000 0.769 203 G HN 0.440 nan 8.290 nan 0.000 0.547 204 V N 0.078 120.017 119.914 0.041 0.000 2.453 204 V HA -0.121 3.999 4.120 0.001 0.000 0.247 204 V C 2.354 178.517 176.094 0.115 0.000 1.048 204 V CA 1.855 64.152 62.300 -0.005 0.000 1.049 204 V CB -0.688 31.139 31.823 0.006 0.000 0.672 204 V HN 0.522 nan 8.190 nan 0.000 0.457 205 H N -0.185 119.000 119.070 0.193 0.000 2.353 205 H HA -0.140 4.417 4.556 0.001 0.000 0.300 205 H C 2.628 178.053 175.328 0.161 0.000 1.090 205 H CA 1.621 57.800 56.048 0.218 0.000 1.327 205 H CB 0.089 29.946 29.762 0.159 0.000 1.383 205 H HN 0.295 nan 8.280 nan 0.000 0.508 206 R N 0.296 120.940 120.500 0.240 0.000 2.081 206 R HA -0.110 4.231 4.340 0.001 0.000 0.235 206 R C 2.329 178.693 176.300 0.106 0.000 1.131 206 R CA 1.081 57.274 56.100 0.155 0.000 0.960 206 R CB -0.188 30.192 30.300 0.133 0.000 0.856 206 R HN 0.285 nan 8.270 nan 0.000 0.436 207 L N -0.858 120.399 121.223 0.057 0.000 2.083 207 L HA -0.193 4.147 4.340 0.001 0.000 0.209 207 L C 2.007 178.859 176.870 -0.029 0.000 1.083 207 L CA 1.220 56.043 54.840 -0.029 0.000 0.752 207 L CB -0.379 41.604 42.059 -0.126 0.000 0.899 207 L HN 0.178 nan 8.230 nan 0.000 0.433 208 Y N -0.425 119.928 120.300 0.088 0.000 2.314 208 Y HA -0.228 4.322 4.550 0.001 0.000 0.293 208 Y C 2.734 178.662 175.900 0.047 0.000 1.129 208 Y CA 1.067 59.209 58.100 0.070 0.000 1.201 208 Y CB -0.296 38.226 38.460 0.104 0.000 0.999 208 Y HN 0.177 nan 8.280 nan 0.000 0.541 209 Q N -0.003 119.914 119.800 0.195 0.000 2.123 209 Q HA -0.112 4.228 4.340 0.001 0.000 0.199 209 Q C 2.074 178.110 176.000 0.061 0.000 0.966 209 Q CA 1.558 57.428 55.803 0.111 0.000 0.845 209 Q CB -0.293 28.501 28.738 0.093 0.000 0.907 209 Q HN 0.475 nan 8.270 nan 0.000 0.439 210 M N -0.138 119.487 119.600 0.043 0.000 2.117 210 M HA -0.171 4.310 4.480 0.001 0.000 0.262 210 M C 2.109 178.400 176.300 -0.016 0.000 1.065 210 M CA 1.900 57.197 55.300 -0.004 0.000 1.114 210 M CB -0.280 32.299 32.600 -0.035 0.000 1.361 210 M HN 0.309 nan 8.290 nan 0.000 0.408 211 E N 0.745 120.949 120.200 0.008 0.000 2.077 211 E HA -0.249 4.102 4.350 0.001 0.000 0.193 211 E C 1.971 178.583 176.600 0.021 0.000 0.989 211 E CA 1.310 57.715 56.400 0.008 0.000 0.800 211 E CB 0.040 29.769 29.700 0.049 0.000 0.746 211 E HN 0.368 nan 8.360 nan 0.000 0.452 212 K N 0.039 120.466 120.400 0.045 0.000 2.148 212 K HA -0.136 4.185 4.320 0.001 0.000 0.204 212 K C 0.973 177.579 176.600 0.010 0.000 1.050 212 K CA 1.591 57.897 56.287 0.032 0.000 0.942 212 K CB 0.186 32.710 32.500 0.041 0.000 0.724 212 K HN 0.083 nan 8.250 nan 0.000 0.446 213 D N -0.799 119.602 120.400 0.003 0.000 2.340 213 D HA 0.069 4.710 4.640 0.001 0.000 0.220 213 D C 0.766 177.053 176.300 -0.022 0.000 1.039 213 D CA 0.841 54.836 54.000 -0.010 0.000 0.866 213 D CB 0.604 41.398 40.800 -0.011 0.000 0.913 213 D HN 0.428 nan 8.370 nan 0.000 0.523 214 G N 1.571 110.356 108.800 -0.026 0.000 2.160 214 G HA2 -0.379 3.582 3.960 0.001 0.000 0.251 214 G HA3 -0.379 3.582 3.960 0.001 0.000 0.251 214 G C 0.889 175.751 174.900 -0.063 0.000 1.008 214 G CA 0.000 45.077 45.100 -0.040 0.000 0.724 214 G HN 0.379 nan 8.290 nan 0.000 0.514 215 R N -1.146 119.311 120.500 -0.072 0.000 2.426 215 R HA 0.367 4.708 4.340 0.001 0.000 0.263 215 R C 0.317 176.516 176.300 -0.168 0.000 0.961 215 R CA -0.289 55.753 56.100 -0.098 0.000 1.086 215 R CB 0.449 30.707 30.300 -0.071 0.000 1.186 215 R HN 0.304 nan 8.270 nan 0.000 0.537 216 L N 2.429 123.531 121.223 -0.202 0.000 2.277 216 L HA 0.361 4.701 4.340 0.001 0.000 0.284 216 L C -2.228 174.389 176.870 -0.422 0.000 1.028 216 L CA -2.158 52.463 54.840 -0.364 0.000 0.835 216 L CB 1.394 43.300 42.059 -0.254 0.000 1.215 216 L HN -0.119 nan 8.230 nan 0.000 0.425 217 P HA 0.180 nan 4.420 nan 0.000 0.262 217 P C -0.957 176.193 177.300 -0.249 0.000 1.304 217 P CA 0.259 63.137 63.100 -0.370 0.000 0.859 217 P CB -0.197 31.355 31.700 -0.245 0.000 1.310 218 F N -2.500 117.441 119.950 -0.014 0.000 2.668 218 F HA 0.716 5.243 4.527 0.001 0.000 0.309 218 F C -3.069 172.726 175.800 -0.009 0.000 1.117 218 F CA -3.358 54.631 58.000 -0.018 0.000 0.951 218 F CB 0.367 39.349 39.000 -0.031 0.000 1.323 218 F HN -0.427 nan 8.300 nan 0.000 0.451 219 P HA 0.295 nan 4.420 nan 0.000 0.271 219 P C -1.022 176.350 177.300 0.120 0.000 1.216 219 P CA 0.145 63.334 63.100 0.147 0.000 0.771 219 P CB 1.197 32.883 31.700 -0.023 0.000 0.864 220 A N 3.765 126.654 122.820 0.114 0.000 2.342 220 A HA 0.649 4.970 4.320 0.001 0.000 0.323 220 A C -1.064 176.581 177.584 0.102 0.000 1.125 220 A CA -0.501 51.588 52.037 0.086 0.000 0.785 220 A CB 0.530 19.598 19.000 0.113 0.000 1.221 220 A HN 0.306 nan 8.150 nan 0.000 0.463 221 F N 2.197 122.170 119.950 0.038 0.000 2.405 221 F HA 0.324 4.852 4.527 0.001 0.000 0.355 221 F C 0.602 176.415 175.800 0.021 0.000 1.121 221 F CA -1.179 56.839 58.000 0.030 0.000 1.112 221 F CB 1.458 40.446 39.000 -0.021 0.000 1.126 221 F HN 0.640 nan 8.300 nan 0.000 0.481 222 N N 3.556 122.407 118.700 0.251 0.000 2.415 222 N HA 0.125 4.865 4.740 0.001 0.000 0.246 222 N C 0.047 175.615 175.510 0.096 0.000 1.078 222 N CA 0.163 53.285 53.050 0.121 0.000 0.942 222 N CB 1.108 39.657 38.487 0.104 0.000 1.140 222 N HN 0.415 nan 8.380 nan 0.000 0.501 223 V N 3.691 123.654 119.914 0.081 0.000 3.644 223 V HA 0.033 4.153 4.120 0.001 0.000 0.267 223 V C 1.834 177.964 176.094 0.059 0.000 1.277 223 V CA 0.183 62.511 62.300 0.047 0.000 1.096 223 V CB -0.505 31.355 31.823 0.061 0.000 0.828 223 V HN 0.648 nan 8.190 nan 0.000 0.446 224 N N 1.086 119.831 118.700 0.074 0.000 2.166 224 N HA -0.156 4.585 4.740 0.001 0.000 0.186 224 N C 1.246 176.796 175.510 0.066 0.000 1.019 224 N CA 1.707 54.801 53.050 0.074 0.000 0.856 224 N CB 0.029 38.558 38.487 0.069 0.000 0.993 224 N HN 0.379 nan 8.380 nan 0.000 0.426 225 D N -0.765 119.679 120.400 0.073 0.000 2.363 225 D HA 0.039 4.680 4.640 0.001 0.000 0.214 225 D C -0.011 176.323 176.300 0.057 0.000 1.093 225 D CA 0.032 54.076 54.000 0.073 0.000 0.837 225 D CB 0.018 40.881 40.800 0.106 0.000 0.948 225 D HN 0.299 nan 8.370 nan 0.000 0.507 226 S N -0.502 115.220 115.700 0.036 0.000 2.584 226 S HA 0.102 4.572 4.470 0.001 0.000 0.270 226 S C 1.642 176.243 174.600 0.002 0.000 1.346 226 S CA -0.651 57.555 58.200 0.011 0.000 1.018 226 S CB 1.866 65.057 63.200 -0.015 0.000 0.899 226 S HN -0.122 nan 8.310 nan 0.000 0.542 227 V N 2.393 122.284 119.914 -0.039 0.000 2.307 227 V HA -0.159 3.961 4.120 0.001 0.000 0.245 227 V C 3.007 179.080 176.094 -0.036 0.000 1.045 227 V CA 2.278 64.519 62.300 -0.099 0.000 1.024 227 V CB -1.795 29.815 31.823 -0.355 0.000 0.651 227 V HN 1.115 nan 8.190 nan 0.000 0.449 228 T N -1.830 112.723 114.554 -0.001 0.000 2.788 228 T HA -0.227 4.123 4.350 0.001 0.000 0.268 228 T C 1.922 176.718 174.700 0.160 0.000 1.044 228 T CA 1.416 63.583 62.100 0.112 0.000 1.139 228 T CB -0.202 68.682 68.868 0.026 0.000 0.867 228 T HN 0.293 nan 8.240 nan 0.000 0.454 229 K N 1.663 122.104 120.400 0.067 0.000 2.007 229 K HA -0.056 4.264 4.320 0.001 0.000 0.206 229 K C 2.783 179.435 176.600 0.086 0.000 1.047 229 K CA 1.753 58.081 56.287 0.068 0.000 0.937 229 K CB -0.637 31.891 32.500 0.047 0.000 0.718 229 K HN 0.574 nan 8.250 nan 0.000 0.438 230 S N 1.080 116.809 115.700 0.049 0.000 2.368 230 S HA -0.067 4.404 4.470 0.001 0.000 0.224 230 S C 1.856 176.434 174.600 -0.037 0.000 1.029 230 S CA 0.680 58.891 58.200 0.017 0.000 0.988 230 S CB -0.150 63.053 63.200 0.005 0.000 0.838 230 S HN 0.153 nan 8.310 nan 0.000 0.462 231 K N 0.897 121.263 120.400 -0.057 0.000 2.057 231 K HA 0.074 4.395 4.320 0.001 0.000 0.207 231 K C 1.753 178.162 176.600 -0.317 0.000 1.049 231 K CA 1.174 57.306 56.287 -0.258 0.000 0.931 231 K CB -0.741 31.627 32.500 -0.219 0.000 0.714 231 K HN 0.502 nan 8.250 nan 0.000 0.440 232 F N 1.269 121.216 119.950 -0.005 0.000 2.187 232 F HA -0.124 4.404 4.527 0.001 0.000 0.295 232 F C 2.264 177.988 175.800 -0.126 0.000 1.091 232 F CA 1.302 59.329 58.000 0.045 0.000 1.308 232 F CB -0.302 38.699 39.000 0.003 0.000 1.030 232 F HN 0.079 nan 8.300 nan 0.000 0.487 233 D N -0.508 119.933 120.400 0.068 0.000 2.149 233 D HA -0.129 4.511 4.640 0.001 0.000 0.201 233 D C 1.780 178.107 176.300 0.045 0.000 0.972 233 D CA 1.258 55.292 54.000 0.057 0.000 0.835 233 D CB -0.026 40.860 40.800 0.144 0.000 0.966 233 D HN 0.040 nan 8.370 nan 0.000 0.476 234 N N -0.253 118.428 118.700 -0.030 0.000 2.414 234 N HA -0.011 4.730 4.740 0.001 0.000 0.189 234 N C 1.490 176.918 175.510 -0.137 0.000 1.039 234 N CA 0.185 53.209 53.050 -0.044 0.000 0.889 234 N CB -0.374 38.079 38.487 -0.058 0.000 1.085 234 N HN 0.156 nan 8.380 nan 0.000 0.442 235 L N 0.268 121.319 121.223 -0.287 0.000 2.056 235 L HA 0.037 4.377 4.340 0.001 0.000 0.202 235 L C 1.826 178.492 176.870 -0.339 0.000 1.086 235 L CA 1.638 56.236 54.840 -0.403 0.000 0.758 235 L CB -1.176 40.463 42.059 -0.700 0.000 0.912 235 L HN 0.046 nan 8.230 nan 0.000 0.446 236 Y N 0.460 120.606 120.300 -0.257 0.000 2.242 236 Y HA -0.026 4.525 4.550 0.001 0.000 0.291 236 Y C 2.609 178.402 175.900 -0.180 0.000 1.137 236 Y CA 0.947 58.897 58.100 -0.250 0.000 1.181 236 Y CB -1.420 36.777 38.460 -0.438 0.000 0.989 236 Y HN 0.245 nan 8.280 nan 0.000 0.527 237 G N -1.163 107.549 108.800 -0.145 0.000 2.418 237 G HA2 -0.231 3.730 3.960 0.001 0.000 0.217 237 G HA3 -0.231 3.730 3.960 0.001 0.000 0.217 237 G C 1.620 176.458 174.900 -0.104 0.000 1.158 237 G CA 1.329 46.190 45.100 -0.399 0.000 0.771 237 G HN 0.474 nan 8.290 nan 0.000 0.545 238 C N -0.468 118.817 119.300 -0.024 0.000 2.464 238 C HA 0.215 4.675 4.460 0.001 0.000 0.278 238 C C 2.737 177.748 174.990 0.036 0.000 1.375 238 C CA 0.360 59.422 59.018 0.074 0.000 1.761 238 C CB -0.692 27.087 27.740 0.065 0.000 1.944 238 C HN 0.537 nan 8.230 nan 0.000 0.509 239 R N 1.308 121.813 120.500 0.008 0.000 2.081 239 R HA -0.112 4.229 4.340 0.001 0.000 0.235 239 R C 1.999 178.321 176.300 0.037 0.000 1.131 239 R CA 1.333 57.445 56.100 0.020 0.000 0.960 239 R CB -0.185 30.134 30.300 0.032 0.000 0.856 239 R HN 0.475 nan 8.270 nan 0.000 0.436 240 E N -0.177 120.050 120.200 0.046 0.000 2.268 240 E HA -0.095 4.256 4.350 0.001 0.000 0.195 240 E C 1.345 177.979 176.600 0.057 0.000 0.995 240 E CA 1.453 57.883 56.400 0.050 0.000 0.836 240 E CB 0.373 30.109 29.700 0.059 0.000 0.763 240 E HN 0.480 nan 8.360 nan 0.000 0.491 241 S N -0.997 114.746 115.700 0.070 0.000 2.687 241 S HA 0.055 4.525 4.470 0.001 0.000 0.247 241 S C 1.598 176.233 174.600 0.058 0.000 1.050 241 S CA -0.339 57.907 58.200 0.077 0.000 1.063 241 S CB 0.029 63.303 63.200 0.122 0.000 1.039 241 S HN 0.076 nan 8.310 nan 0.000 0.580 242 L N 2.601 123.853 121.223 0.049 0.000 1.970 242 L HA 0.102 4.443 4.340 0.001 0.000 0.212 242 L C 2.236 179.119 176.870 0.022 0.000 1.071 242 L CA 1.927 56.787 54.840 0.034 0.000 0.751 242 L CB -0.852 41.221 42.059 0.024 0.000 0.889 242 L HN 0.227 nan 8.230 nan 0.000 0.432 243 V N 0.023 119.946 119.914 0.016 0.000 2.515 243 V HA -0.230 3.891 4.120 0.001 0.000 0.250 243 V C 2.339 178.439 176.094 0.009 0.000 1.058 243 V CA 1.631 63.935 62.300 0.007 0.000 1.064 243 V CB -0.783 31.042 31.823 0.003 0.000 0.675 243 V HN 0.567 nan 8.190 nan 0.000 0.461 244 D N 1.030 121.441 120.400 0.018 0.000 2.092 244 D HA -0.147 4.493 4.640 0.001 0.000 0.193 244 D C 2.224 178.534 176.300 0.016 0.000 0.994 244 D CA 1.853 55.865 54.000 0.019 0.000 0.828 244 D CB -0.523 40.296 40.800 0.030 0.000 0.963 244 D HN 0.352 nan 8.370 nan 0.000 0.450 245 G N 0.412 109.224 108.800 0.020 0.000 2.418 245 G HA2 -0.206 3.755 3.960 0.001 0.000 0.217 245 G HA3 -0.206 3.755 3.960 0.001 0.000 0.217 245 G C 1.979 176.883 174.900 0.006 0.000 1.158 245 G CA 0.812 45.921 45.100 0.015 0.000 0.771 245 G HN 0.399 nan 8.290 nan 0.000 0.545 246 I N 0.083 120.656 120.570 0.004 0.000 2.315 246 I HA -0.114 4.057 4.170 0.001 0.000 0.248 246 I C 2.788 178.898 176.117 -0.011 0.000 1.117 246 I CA 1.094 62.391 61.300 -0.005 0.000 1.404 246 I CB -0.132 37.863 38.000 -0.009 0.000 1.071 246 I HN 0.121 nan 8.210 nan 0.000 0.419 247 K N 0.525 120.921 120.400 -0.007 0.000 2.103 247 K HA -0.052 4.268 4.320 0.001 0.000 0.204 247 K C 2.271 178.866 176.600 -0.008 0.000 1.052 247 K CA 0.869 57.151 56.287 -0.009 0.000 0.945 247 K CB -0.064 32.433 32.500 -0.005 0.000 0.722 247 K HN 0.253 nan 8.250 nan 0.000 0.443 248 R N 0.487 120.985 120.500 -0.003 0.000 2.081 248 R HA -0.100 4.240 4.340 0.001 0.000 0.235 248 R C 2.334 178.629 176.300 -0.009 0.000 1.131 248 R CA 1.374 57.473 56.100 -0.002 0.000 0.960 248 R CB -0.319 29.984 30.300 0.005 0.000 0.856 248 R HN 0.161 nan 8.270 nan 0.000 0.436 249 A N 0.278 123.091 122.820 -0.012 0.000 1.929 249 A HA -0.120 4.201 4.320 0.001 0.000 0.216 249 A C 2.028 179.591 177.584 -0.034 0.000 1.176 249 A CA 1.898 53.922 52.037 -0.022 0.000 0.628 249 A CB -0.184 18.804 19.000 -0.021 0.000 0.816 249 A HN 0.495 nan 8.150 nan 0.000 0.444 250 T N -6.357 108.177 114.554 -0.033 0.000 3.009 250 T HA 0.149 4.500 4.350 0.001 0.000 0.267 250 T C 0.139 174.819 174.700 -0.034 0.000 0.942 250 T CA 0.706 62.781 62.100 -0.042 0.000 0.883 250 T CB 0.025 68.866 68.868 -0.045 0.000 1.192 250 T HN 0.336 nan 8.240 nan 0.000 0.524 251 D N 0.963 121.349 120.400 -0.025 0.000 2.792 251 D HA -0.136 4.505 4.640 0.001 0.000 0.231 251 D C 0.171 176.457 176.300 -0.022 0.000 1.160 251 D CA 0.464 54.452 54.000 -0.020 0.000 0.697 251 D CB -1.430 39.359 40.800 -0.018 0.000 1.070 251 D HN 0.484 nan 8.370 nan 0.000 0.426 252 V N 0.571 120.469 119.914 -0.026 0.000 2.775 252 V HA 0.171 4.292 4.120 0.001 0.000 0.299 252 V C 0.706 176.784 176.094 -0.028 0.000 1.062 252 V CA -0.410 61.872 62.300 -0.030 0.000 1.063 252 V CB 1.545 33.346 31.823 -0.036 0.000 0.994 252 V HN 0.185 nan 8.190 nan 0.000 0.483 253 M N 6.400 125.983 119.600 -0.029 0.000 2.217 253 M HA 0.239 4.719 4.480 0.001 0.000 0.352 253 M C 0.346 176.623 176.300 -0.038 0.000 1.376 253 M CA 0.516 55.799 55.300 -0.029 0.000 1.107 253 M CB 0.522 33.106 32.600 -0.027 0.000 1.723 253 M HN 0.563 nan 8.290 nan 0.000 0.461 254 I N 3.268 123.817 120.570 -0.036 0.000 2.628 254 I HA 0.160 4.331 4.170 0.001 0.000 0.255 254 I C 1.054 177.141 176.117 -0.049 0.000 1.119 254 I CA 0.415 61.688 61.300 -0.045 0.000 1.448 254 I CB -1.470 36.509 38.000 -0.035 0.000 1.133 254 I HN 0.794 nan 8.210 nan 0.000 0.438 255 A N 0.874 123.672 122.820 -0.037 0.000 2.565 255 A HA 0.347 4.667 4.320 0.001 0.000 0.237 255 A C 1.511 179.068 177.584 -0.045 0.000 1.053 255 A CA 0.982 52.999 52.037 -0.034 0.000 0.755 255 A CB -0.449 18.537 19.000 -0.023 0.000 0.980 255 A HN 0.813 nan 8.150 nan 0.000 0.506 256 G N 1.606 110.376 108.800 -0.050 0.000 2.225 256 G HA2 -0.241 3.719 3.960 0.001 0.000 0.254 256 G HA3 -0.241 3.719 3.960 0.001 0.000 0.254 256 G C 0.387 175.233 174.900 -0.090 0.000 0.988 256 G CA 0.738 45.804 45.100 -0.058 0.000 0.625 256 G HN 0.851 nan 8.290 nan 0.000 0.527 257 K N 0.177 120.513 120.400 -0.108 0.000 2.185 257 K HA 0.553 4.874 4.320 0.001 0.000 0.271 257 K C 0.390 176.849 176.600 -0.235 0.000 1.013 257 K CA -0.493 55.701 56.287 -0.156 0.000 0.943 257 K CB 1.022 33.438 32.500 -0.139 0.000 0.998 257 K HN 0.249 nan 8.250 nan 0.000 0.468 258 I N 2.380 122.746 120.570 -0.340 0.000 2.337 258 I HA 0.146 4.317 4.170 0.001 0.000 0.291 258 I C -0.041 175.763 176.117 -0.521 0.000 1.046 258 I CA -0.178 60.784 61.300 -0.563 0.000 1.324 258 I CB 1.234 38.724 38.000 -0.849 0.000 1.409 258 I HN 0.537 nan 8.210 nan 0.000 0.494 259 A N 6.655 129.199 122.820 -0.460 0.000 2.318 259 A HA 0.642 4.963 4.320 0.001 0.000 0.317 259 A C -0.797 176.587 177.584 -0.334 0.000 1.159 259 A CA -0.552 51.265 52.037 -0.367 0.000 0.799 259 A CB 1.596 20.462 19.000 -0.223 0.000 1.194 259 A HN 0.494 nan 8.150 nan 0.000 0.479 260 V N 4.213 123.921 119.914 -0.344 0.000 2.427 260 V HA 0.597 4.717 4.120 0.001 0.000 0.286 260 V C -0.708 175.345 176.094 -0.068 0.000 1.034 260 V CA -0.302 61.913 62.300 -0.142 0.000 0.893 260 V CB 1.549 33.318 31.823 -0.090 0.000 0.982 260 V HN 0.664 nan 8.190 nan 0.000 0.452 261 V N 7.134 127.040 119.914 -0.014 0.000 2.357 261 V HA 0.640 4.761 4.120 0.001 0.000 0.284 261 V C 0.536 176.663 176.094 0.054 0.000 1.018 261 V CA -0.365 61.942 62.300 0.012 0.000 0.841 261 V CB 1.311 33.127 31.823 -0.011 0.000 0.991 261 V HN 1.062 nan 8.190 nan 0.000 0.437 262 A N 4.196 127.058 122.820 0.071 0.000 2.310 262 A HA 0.763 5.084 4.320 0.001 0.000 0.300 262 A C 0.749 178.381 177.584 0.081 0.000 1.269 262 A CA 0.453 52.537 52.037 0.078 0.000 0.909 262 A CB -0.245 18.804 19.000 0.081 0.000 1.144 262 A HN 2.020 nan 8.150 nan 0.000 0.540 263 G N 0.665 109.521 108.800 0.094 0.000 3.067 263 G HA2 0.021 3.981 3.960 0.001 0.000 0.686 263 G HA3 0.021 3.981 3.960 0.001 0.000 0.686 263 G C -0.819 174.176 174.900 0.158 0.000 1.119 263 G CA -0.206 44.957 45.100 0.104 0.000 0.790 263 G HN 1.578 nan 8.290 nan 0.000 0.605 264 Y N 2.642 122.943 120.300 0.002 0.000 2.577 264 Y HA 0.531 5.081 4.550 0.001 0.000 0.307 264 Y C 1.146 177.047 175.900 0.001 0.000 0.940 264 Y CA 0.321 58.417 58.100 -0.006 0.000 1.132 264 Y CB 0.113 38.574 38.460 0.003 0.000 1.184 264 Y HN 0.954 nan 8.280 nan 0.000 0.611 265 G N 0.057 108.811 108.800 -0.076 0.000 2.531 265 G HA2 0.030 3.990 3.960 0.001 0.000 0.253 265 G HA3 0.030 3.990 3.960 0.001 0.000 0.253 265 G C 0.505 175.276 174.900 -0.215 0.000 1.439 265 G CA 0.028 45.060 45.100 -0.114 0.000 1.056 265 G HN 0.227 nan 8.290 nan 0.000 0.555 266 D N -1.009 119.297 120.400 -0.157 0.000 2.092 266 D HA -0.142 4.498 4.640 0.001 0.000 0.193 266 D C 2.739 178.928 176.300 -0.186 0.000 0.994 266 D CA 1.112 54.997 54.000 -0.192 0.000 0.828 266 D CB -0.453 40.260 40.800 -0.146 0.000 0.963 266 D HN 0.047 nan 8.370 nan 0.000 0.450 267 V N 0.901 120.750 119.914 -0.109 0.000 2.261 267 V HA -0.164 3.957 4.120 0.001 0.000 0.246 267 V C 2.563 178.606 176.094 -0.085 0.000 1.047 267 V CA 2.111 64.371 62.300 -0.068 0.000 1.015 267 V CB -1.057 30.766 31.823 0.000 0.000 0.642 267 V HN 0.260 nan 8.190 nan 0.000 0.446 268 G N -0.652 108.095 108.800 -0.089 0.000 2.432 268 G HA2 -0.230 3.731 3.960 0.001 0.000 0.219 268 G HA3 -0.230 3.731 3.960 0.001 0.000 0.219 268 G C 1.664 176.471 174.900 -0.156 0.000 1.135 268 G CA 0.741 45.802 45.100 -0.066 0.000 0.767 268 G HN 0.471 nan 8.290 nan 0.000 0.550 269 K N 0.037 120.203 120.400 -0.391 0.000 2.057 269 K HA -0.033 4.287 4.320 0.001 0.000 0.207 269 K C 2.764 179.255 176.600 -0.181 0.000 1.049 269 K CA 0.976 56.956 56.287 -0.511 0.000 0.931 269 K CB -0.343 31.791 32.500 -0.610 0.000 0.714 269 K HN 0.269 nan 8.250 nan 0.000 0.440 270 G N 0.842 109.545 108.800 -0.161 0.000 2.402 270 G HA2 -0.238 3.722 3.960 0.001 0.000 0.216 270 G HA3 -0.238 3.722 3.960 0.001 0.000 0.216 270 G C 1.631 176.508 174.900 -0.037 0.000 1.162 270 G CA 0.881 45.927 45.100 -0.090 0.000 0.777 270 G HN 0.305 nan 8.290 nan 0.000 0.539 271 C N 1.006 120.281 119.300 -0.042 0.000 2.436 271 C HA 0.132 4.593 4.460 0.001 0.000 0.277 271 C C 3.554 178.523 174.990 -0.034 0.000 1.241 271 C CA 0.941 59.945 59.018 -0.025 0.000 1.721 271 C CB -1.029 26.698 27.740 -0.021 0.000 2.043 271 C HN 0.563 nan 8.230 nan 0.000 0.472 272 A N -0.190 122.594 122.820 -0.060 0.000 1.908 272 A HA -0.302 4.018 4.320 0.001 0.000 0.218 272 A C 2.137 179.716 177.584 -0.009 0.000 1.181 272 A CA 2.160 54.103 52.037 -0.157 0.000 0.627 272 A CB -0.823 17.955 19.000 -0.370 0.000 0.818 272 A HN 0.750 nan 8.150 nan 0.000 0.445 273 Q N 0.112 119.956 119.800 0.074 0.000 2.084 273 Q HA -0.174 4.166 4.340 0.001 0.000 0.202 273 Q C 2.302 178.352 176.000 0.082 0.000 0.978 273 Q CA 2.303 58.185 55.803 0.133 0.000 0.844 273 Q CB -0.201 28.601 28.738 0.107 0.000 0.898 273 Q HN 0.805 nan 8.270 nan 0.000 0.426 274 S N -0.231 115.495 115.700 0.043 0.000 2.383 274 S HA -0.106 4.365 4.470 0.001 0.000 0.227 274 S C 1.926 176.540 174.600 0.023 0.000 1.026 274 S CA 0.834 59.052 58.200 0.031 0.000 0.981 274 S CB -0.435 62.778 63.200 0.021 0.000 0.818 274 S HN 0.430 nan 8.310 nan 0.000 0.472 275 L N 1.140 122.370 121.223 0.012 0.000 2.056 275 L HA 0.063 4.404 4.340 0.001 0.000 0.207 275 L C 3.117 179.998 176.870 0.017 0.000 1.078 275 L CA 1.456 56.294 54.840 -0.005 0.000 0.749 275 L CB -0.471 41.565 42.059 -0.038 0.000 0.901 275 L HN 0.345 nan 8.230 nan 0.000 0.433 276 R N 0.542 121.080 120.500 0.063 0.000 2.120 276 R HA -0.129 4.211 4.340 0.001 0.000 0.234 276 R C 2.082 178.422 176.300 0.066 0.000 1.123 276 R CA 1.376 57.539 56.100 0.104 0.000 0.975 276 R CB -0.412 30.024 30.300 0.226 0.000 0.866 276 R HN 0.374 nan 8.270 nan 0.000 0.446 277 G N 0.339 109.173 108.800 0.056 0.000 2.559 277 G HA2 -0.113 3.848 3.960 0.001 0.000 0.216 277 G HA3 -0.113 3.848 3.960 0.001 0.000 0.216 277 G C 1.170 176.082 174.900 0.021 0.000 1.126 277 G CA 0.202 45.324 45.100 0.038 0.000 0.778 277 G HN 0.288 nan 8.290 nan 0.000 0.543 278 L N -0.451 120.781 121.223 0.015 0.000 2.808 278 L HA 0.328 4.668 4.340 0.001 0.000 0.246 278 L C 1.675 178.543 176.870 -0.003 0.000 1.153 278 L CA 0.382 55.223 54.840 0.003 0.000 0.956 278 L CB 0.572 42.629 42.059 -0.004 0.000 1.270 278 L HN 0.306 nan 8.230 nan 0.000 0.528 279 G N 0.325 109.127 108.800 0.003 0.000 2.141 279 G HA2 -0.233 3.728 3.960 0.001 0.000 0.231 279 G HA3 -0.233 3.728 3.960 0.001 0.000 0.231 279 G C 0.396 175.286 174.900 -0.017 0.000 0.984 279 G CA 0.001 45.099 45.100 -0.003 0.000 0.660 279 G HN 0.441 nan 8.290 nan 0.000 0.525 280 A N 0.083 122.888 122.820 -0.024 0.000 2.445 280 A HA 0.643 4.963 4.320 0.001 0.000 0.242 280 A C 0.821 178.380 177.584 -0.042 0.000 1.075 280 A CA 1.109 53.111 52.037 -0.058 0.000 0.777 280 A CB 0.325 19.278 19.000 -0.078 0.000 1.013 280 A HN 0.805 nan 8.150 nan 0.000 0.493 281 T N 2.026 116.521 114.554 -0.098 0.000 2.737 281 T HA 0.424 4.774 4.350 0.001 0.000 0.296 281 T C -0.177 174.421 174.700 -0.171 0.000 0.922 281 T CA -0.050 61.995 62.100 -0.092 0.000 1.079 281 T CB 0.262 69.044 68.868 -0.144 0.000 0.892 281 T HN 0.396 nan 8.240 nan 0.000 0.514 282 V N 5.057 124.988 119.914 0.028 0.000 2.370 282 V HA 0.434 4.554 4.120 0.001 0.000 0.283 282 V C -0.661 175.595 176.094 0.270 0.000 1.023 282 V CA -1.012 61.303 62.300 0.025 0.000 0.857 282 V CB 0.950 32.765 31.823 -0.014 0.000 0.985 282 V HN 0.762 nan 8.190 nan 0.000 0.443 283 W N 3.298 124.562 121.300 -0.061 0.000 2.639 283 W HA 0.810 5.471 4.660 0.001 0.000 0.347 283 W C -0.499 175.954 176.519 -0.111 0.000 1.067 283 W CA -1.163 56.150 57.345 -0.054 0.000 1.218 283 W CB 1.625 31.066 29.460 -0.031 0.000 1.393 283 W HN 0.247 nan 8.180 nan 0.000 0.557 284 V N 1.427 121.418 119.914 0.129 0.000 2.789 284 V HA 0.573 4.694 4.120 0.001 0.000 0.311 284 V C -0.070 176.038 176.094 0.024 0.000 1.073 284 V CA -0.906 61.404 62.300 0.016 0.000 0.921 284 V CB 2.135 33.884 31.823 -0.125 0.000 1.009 284 V HN 0.538 nan 8.190 nan 0.000 0.426 285 T N 0.837 115.417 114.554 0.043 0.000 2.918 285 T HA 0.866 5.216 4.350 0.001 0.000 0.286 285 T C -0.871 173.856 174.700 0.046 0.000 1.026 285 T CA -0.549 61.573 62.100 0.036 0.000 1.031 285 T CB 2.344 71.244 68.868 0.053 0.000 1.046 285 T HN 0.606 nan 8.240 nan 0.000 0.479 286 E N 0.831 121.052 120.200 0.035 0.000 2.388 286 E HA 0.313 4.664 4.350 0.001 0.000 0.280 286 E C -0.013 176.610 176.600 0.038 0.000 1.019 286 E CA -0.523 55.907 56.400 0.050 0.000 0.806 286 E CB 1.937 31.670 29.700 0.055 0.000 1.246 286 E HN 0.774 nan 8.360 nan 0.000 0.443 287 I N -2.201 118.396 120.570 0.046 0.000 4.181 287 I HA 0.345 4.515 4.170 0.001 0.000 0.331 287 I C 0.489 176.626 176.117 0.034 0.000 1.312 287 I CA 0.104 61.427 61.300 0.038 0.000 1.146 287 I CB 0.490 38.516 38.000 0.044 0.000 1.074 287 I HN 0.089 nan 8.210 nan 0.000 0.402 288 D N 3.166 123.591 120.400 0.042 0.000 2.373 288 D HA 0.281 4.922 4.640 0.001 0.000 0.227 288 D C -1.667 174.656 176.300 0.037 0.000 1.091 288 D CA -2.357 51.667 54.000 0.040 0.000 0.840 288 D CB 2.041 42.871 40.800 0.050 0.000 1.060 288 D HN -0.011 nan 8.370 nan 0.000 0.502 289 P HA -0.075 nan 4.420 nan 0.000 0.220 289 P C 1.778 179.091 177.300 0.022 0.000 1.148 289 P CA 0.606 63.715 63.100 0.015 0.000 0.803 289 P CB 0.650 32.354 31.700 0.008 0.000 0.782 290 I N -0.648 119.942 120.570 0.033 0.000 2.286 290 I HA -0.203 3.967 4.170 0.001 0.000 0.245 290 I C 2.533 178.693 176.117 0.071 0.000 1.104 290 I CA 1.226 62.551 61.300 0.041 0.000 1.397 290 I CB -0.784 37.239 38.000 0.038 0.000 1.072 290 I HN 0.027 nan 8.210 nan 0.000 0.417 291 C N 0.817 120.174 119.300 0.095 0.000 2.446 291 C HA -0.076 4.385 4.460 0.001 0.000 0.277 291 C C 3.214 178.299 174.990 0.158 0.000 1.275 291 C CA 0.838 59.966 59.018 0.184 0.000 1.727 291 C CB -1.129 26.723 27.740 0.186 0.000 2.010 291 C HN 0.588 nan 8.230 nan 0.000 0.486 292 A N 0.220 123.076 122.820 0.060 0.000 1.908 292 A HA -0.182 4.139 4.320 0.001 0.000 0.218 292 A C 2.036 179.594 177.584 -0.044 0.000 1.181 292 A CA 1.774 53.799 52.037 -0.021 0.000 0.627 292 A CB -0.689 18.301 19.000 -0.018 0.000 0.818 292 A HN 0.483 nan 8.150 nan 0.000 0.445 293 L N -0.191 121.028 121.223 -0.007 0.000 2.093 293 L HA -0.171 4.169 4.340 0.001 0.000 0.208 293 L C 2.486 179.356 176.870 0.001 0.000 1.085 293 L CA 2.133 56.966 54.840 -0.011 0.000 0.755 293 L CB -0.813 41.248 42.059 0.003 0.000 0.904 293 L HN 0.510 nan 8.230 nan 0.000 0.435 294 Q N -0.873 118.959 119.800 0.054 0.000 2.061 294 Q HA -0.240 4.100 4.340 0.001 0.000 0.204 294 Q C 2.242 178.274 176.000 0.053 0.000 0.984 294 Q CA 1.949 57.828 55.803 0.125 0.000 0.846 294 Q CB -0.381 28.530 28.738 0.289 0.000 0.902 294 Q HN 0.683 nan 8.270 nan 0.000 0.421 295 A N 0.972 123.665 122.820 -0.212 0.000 1.902 295 A HA -0.135 4.185 4.320 0.001 0.000 0.217 295 A C 2.302 179.803 177.584 -0.138 0.000 1.181 295 A CA 1.623 53.365 52.037 -0.491 0.000 0.623 295 A CB -0.857 17.616 19.000 -0.878 0.000 0.818 295 A HN 0.424 nan 8.150 nan 0.000 0.443 296 A N -1.135 121.616 122.820 -0.115 0.000 1.978 296 A HA -0.123 4.198 4.320 0.001 0.000 0.220 296 A C 2.033 179.562 177.584 -0.091 0.000 1.170 296 A CA 1.907 53.891 52.037 -0.088 0.000 0.636 296 A CB -0.434 18.521 19.000 -0.074 0.000 0.810 296 A HN 0.427 nan 8.150 nan 0.000 0.448 297 M N -0.437 119.122 119.600 -0.068 0.000 2.562 297 M HA 0.040 4.521 4.480 0.001 0.000 0.257 297 M C 0.767 177.016 176.300 -0.085 0.000 1.099 297 M CA 0.800 56.067 55.300 -0.055 0.000 1.099 297 M CB -0.635 31.957 32.600 -0.014 0.000 1.427 297 M HN 0.292 nan 8.290 nan 0.000 0.489 298 E N -0.420 119.691 120.200 -0.149 0.000 2.481 298 E HA 0.289 4.639 4.350 0.001 0.000 0.198 298 E C 1.279 177.572 176.600 -0.512 0.000 1.027 298 E CA 0.375 56.610 56.400 -0.276 0.000 0.900 298 E CB 0.284 29.839 29.700 -0.242 0.000 0.993 298 E HN 0.544 nan 8.360 nan 0.000 0.482 299 G N 1.038 109.615 108.800 -0.372 0.000 2.157 299 G HA2 -0.266 3.695 3.960 0.001 0.000 0.239 299 G HA3 -0.266 3.695 3.960 0.001 0.000 0.239 299 G C -0.280 174.463 174.900 -0.262 0.000 0.982 299 G CA -0.214 44.710 45.100 -0.293 0.000 0.650 299 G HN 0.148 nan 8.290 nan 0.000 0.527 300 Y N 1.228 121.504 120.300 -0.040 0.000 2.319 300 Y HA 0.657 5.208 4.550 0.001 0.000 0.328 300 Y C 1.158 177.021 175.900 -0.061 0.000 1.133 300 Y CA -1.213 56.873 58.100 -0.023 0.000 1.265 300 Y CB 0.571 38.983 38.460 -0.079 0.000 1.218 300 Y HN 0.006 nan 8.280 nan 0.000 0.508 301 R N 1.908 122.488 120.500 0.134 0.000 2.442 301 R HA 0.267 4.608 4.340 0.001 0.000 0.291 301 R C -0.936 175.285 176.300 -0.132 0.000 1.069 301 R CA -0.617 55.420 56.100 -0.106 0.000 1.022 301 R CB 0.292 30.367 30.300 -0.374 0.000 0.976 301 R HN 0.432 nan 8.270 nan 0.000 0.443 302 V N 4.591 124.399 119.914 -0.176 0.000 2.364 302 V HA 0.319 4.440 4.120 0.001 0.000 0.272 302 V C 0.516 176.470 176.094 -0.234 0.000 1.036 302 V CA -0.565 61.641 62.300 -0.158 0.000 0.880 302 V CB 1.159 32.908 31.823 -0.123 0.000 0.991 302 V HN 0.596 nan 8.190 nan 0.000 0.460 303 V N 2.004 121.798 119.914 -0.199 0.000 3.158 303 V HA 0.719 4.840 4.120 0.001 0.000 0.311 303 V C -0.141 175.909 176.094 -0.074 0.000 1.181 303 V CA -0.609 61.546 62.300 -0.243 0.000 1.054 303 V CB 2.099 33.725 31.823 -0.328 0.000 1.085 303 V HN 0.588 nan 8.190 nan 0.000 0.446 304 T N 1.442 115.975 114.554 -0.034 0.000 2.909 304 T HA 0.339 4.690 4.350 0.001 0.000 0.286 304 T C 0.708 175.477 174.700 0.117 0.000 1.002 304 T CA 0.006 62.136 62.100 0.051 0.000 1.074 304 T CB 1.195 70.102 68.868 0.064 0.000 0.984 304 T HN 0.851 nan 8.240 nan 0.000 0.495 305 M N 2.355 121.996 119.600 0.068 0.000 2.279 305 M HA -0.003 4.478 4.480 0.001 0.000 0.264 305 M C 1.644 177.956 176.300 0.019 0.000 1.062 305 M CA 1.649 56.935 55.300 -0.024 0.000 1.099 305 M CB -0.394 32.039 32.600 -0.278 0.000 1.394 305 M HN 0.576 nan 8.290 nan 0.000 0.426 306 E N -1.465 118.829 120.200 0.155 0.000 2.072 306 E HA -0.183 4.168 4.350 0.001 0.000 0.191 306 E C 1.808 178.521 176.600 0.188 0.000 0.985 306 E CA 1.431 57.965 56.400 0.223 0.000 0.801 306 E CB -0.644 29.178 29.700 0.204 0.000 0.750 306 E HN 0.693 nan 8.360 nan 0.000 0.452 307 Y N 0.531 120.873 120.300 0.070 0.000 2.200 307 Y HA -0.142 4.408 4.550 0.001 0.000 0.290 307 Y C 2.101 178.077 175.900 0.126 0.000 1.137 307 Y CA 1.518 59.649 58.100 0.052 0.000 1.163 307 Y CB -0.200 38.242 38.460 -0.030 0.000 0.988 307 Y HN 0.046 nan 8.280 nan 0.000 0.518 308 A N 0.281 123.285 122.820 0.307 0.000 2.014 308 A HA 0.031 4.351 4.320 0.001 0.000 0.218 308 A C 2.351 180.121 177.584 0.311 0.000 1.163 308 A CA 1.146 53.410 52.037 0.377 0.000 0.652 308 A CB -1.289 17.962 19.000 0.419 0.000 0.808 308 A HN 0.584 nan 8.150 nan 0.000 0.449 309 A N 1.295 124.267 122.820 0.254 0.000 1.927 309 A HA -0.231 4.090 4.320 0.001 0.000 0.220 309 A C 1.601 179.300 177.584 0.192 0.000 1.185 309 A CA 2.018 54.192 52.037 0.228 0.000 0.639 309 A CB -0.483 18.601 19.000 0.141 0.000 0.820 309 A HN 0.657 nan 8.150 nan 0.000 0.451 310 D N -2.038 118.416 120.400 0.091 0.000 2.368 310 D HA 0.124 4.764 4.640 0.001 0.000 0.218 310 D C 1.071 177.384 176.300 0.023 0.000 1.112 310 D CA 0.279 54.296 54.000 0.029 0.000 0.834 310 D CB 0.129 40.914 40.800 -0.025 0.000 0.953 310 D HN 0.512 nan 8.370 nan 0.000 0.505 311 K N -0.188 120.246 120.400 0.056 0.000 2.443 311 K HA 0.337 4.658 4.320 0.001 0.000 0.200 311 K C 0.876 177.421 176.600 -0.091 0.000 1.278 311 K CA 0.065 56.357 56.287 0.008 0.000 0.925 311 K CB 1.071 33.620 32.500 0.082 0.000 1.225 311 K HN 0.071 nan 8.250 nan 0.000 0.514 312 A N 1.562 124.297 122.820 -0.141 0.000 2.332 312 A HA 0.120 4.441 4.320 0.001 0.000 0.258 312 A C 0.017 177.408 177.584 -0.322 0.000 1.087 312 A CA -0.126 51.638 52.037 -0.456 0.000 0.802 312 A CB 0.289 18.758 19.000 -0.885 0.000 1.042 312 A HN 0.122 nan 8.150 nan 0.000 0.489 313 D N -0.151 120.038 120.400 -0.352 0.000 2.380 313 D HA 0.200 4.841 4.640 0.001 0.000 0.212 313 D C -0.095 176.113 176.300 -0.154 0.000 1.021 313 D CA 1.061 54.953 54.000 -0.181 0.000 0.884 313 D CB 0.425 41.125 40.800 -0.167 0.000 1.001 313 D HN 0.477 nan 8.370 nan 0.000 0.506 314 I N 0.557 120.933 120.570 -0.324 0.000 2.534 314 I HA 0.276 4.447 4.170 0.001 0.000 0.288 314 I C -1.312 174.561 176.117 -0.406 0.000 1.077 314 I CA -0.705 60.472 61.300 -0.206 0.000 1.051 314 I CB 2.124 40.030 38.000 -0.157 0.000 1.234 314 I HN -0.327 nan 8.210 nan 0.000 0.425 315 F N 5.506 125.422 119.950 -0.057 0.000 2.477 315 F HA 0.566 5.093 4.527 0.001 0.000 0.335 315 F C -0.252 175.532 175.800 -0.028 0.000 1.130 315 F CA -0.896 57.080 58.000 -0.041 0.000 0.948 315 F CB 1.972 40.948 39.000 -0.040 0.000 1.154 315 F HN -0.029 nan 8.300 nan 0.000 0.439 316 V N 2.042 122.020 119.914 0.107 0.000 2.444 316 V HA 0.416 4.537 4.120 0.001 0.000 0.294 316 V C -0.234 175.910 176.094 0.083 0.000 1.022 316 V CA -0.924 61.420 62.300 0.074 0.000 0.850 316 V CB 1.853 33.691 31.823 0.026 0.000 0.992 316 V HN 0.791 nan 8.190 nan 0.000 0.426 317 T N 1.456 116.061 114.554 0.085 0.000 2.771 317 T HA 0.712 5.063 4.350 0.001 0.000 0.291 317 T C 0.258 175.001 174.700 0.073 0.000 0.954 317 T CA 0.034 62.183 62.100 0.081 0.000 1.045 317 T CB 1.634 70.550 68.868 0.080 0.000 0.917 317 T HN 1.008 nan 8.240 nan 0.000 0.484 318 A N 2.654 125.516 122.820 0.070 0.000 2.676 318 A HA 0.439 4.760 4.320 0.001 0.000 0.258 318 A C 1.434 179.058 177.584 0.067 0.000 0.898 318 A CA 0.037 52.112 52.037 0.064 0.000 1.087 318 A CB -0.204 18.823 19.000 0.044 0.000 1.214 318 A HN 0.975 nan 8.150 nan 0.000 0.474 319 T N -4.628 109.973 114.554 0.078 0.000 3.037 319 T HA 0.364 4.714 4.350 0.001 0.000 0.252 319 T C 1.648 176.391 174.700 0.071 0.000 1.073 319 T CA 1.199 63.344 62.100 0.074 0.000 1.091 319 T CB -0.027 68.889 68.868 0.079 0.000 0.935 319 T HN 1.776 nan 8.240 nan 0.000 0.488 320 G N 1.522 110.375 108.800 0.089 0.000 2.175 320 G HA2 -0.282 3.679 3.960 0.001 0.000 0.265 320 G HA3 -0.282 3.679 3.960 0.001 0.000 0.265 320 G C 0.169 175.082 174.900 0.022 0.000 0.979 320 G CA 0.420 45.564 45.100 0.073 0.000 0.663 320 G HN 0.717 nan 8.290 nan 0.000 0.533 321 N N -1.047 117.694 118.700 0.068 0.000 2.776 321 N HA 0.611 5.351 4.740 0.001 0.000 0.319 321 N C -0.688 174.914 175.510 0.153 0.000 1.316 321 N CA -0.698 52.404 53.050 0.086 0.000 0.890 321 N CB 0.879 39.422 38.487 0.094 0.000 1.165 321 N HN 0.153 nan 8.380 nan 0.000 0.596 322 Y N 0.250 120.566 120.300 0.026 0.000 2.328 322 Y HA 0.260 4.810 4.550 0.001 0.000 0.336 322 Y C -0.192 175.783 175.900 0.125 0.000 0.960 322 Y CA -0.221 57.890 58.100 0.018 0.000 1.134 322 Y CB 0.005 38.408 38.460 -0.095 0.000 1.166 322 Y HN 0.719 nan 8.280 nan 0.000 0.464 323 H N 3.181 121.990 119.070 -0.434 0.000 2.677 323 H HA -0.169 4.387 4.556 0.001 0.000 0.321 323 H C 1.021 176.325 175.328 -0.039 0.000 1.171 323 H CA 0.330 56.193 56.048 -0.309 0.000 1.139 323 H CB -0.860 28.623 29.762 -0.464 0.000 1.515 323 H HN 0.638 nan 8.280 nan 0.000 0.423 324 V N -2.064 117.921 119.914 0.119 0.000 2.719 324 V HA 0.073 4.193 4.120 0.001 0.000 0.252 324 V C 1.202 177.371 176.094 0.124 0.000 1.065 324 V CA 1.159 63.536 62.300 0.128 0.000 1.086 324 V CB 0.412 32.293 31.823 0.097 0.000 0.700 324 V HN 0.330 nan 8.190 nan 0.000 0.467 325 I N 3.339 123.970 120.570 0.101 0.000 2.328 325 I HA 0.399 4.570 4.170 0.001 0.000 0.287 325 I C -0.245 175.954 176.117 0.138 0.000 1.012 325 I CA -0.408 60.974 61.300 0.137 0.000 1.195 325 I CB 1.082 39.075 38.000 -0.013 0.000 1.350 325 I HN 0.502 nan 8.210 nan 0.000 0.464 326 N N 4.150 123.025 118.700 0.292 0.000 2.671 326 N HA 0.162 4.903 4.740 0.001 0.000 0.303 326 N C 1.034 176.518 175.510 -0.043 0.000 1.277 326 N CA -0.479 52.559 53.050 -0.022 0.000 0.933 326 N CB 0.253 38.691 38.487 -0.081 0.000 1.190 326 N HN 0.433 nan 8.380 nan 0.000 0.600 327 H N -0.732 118.290 119.070 -0.081 0.000 2.319 327 H HA -0.109 4.448 4.556 0.001 0.000 0.299 327 H C -0.005 175.337 175.328 0.023 0.000 1.092 327 H CA 2.083 58.151 56.048 0.034 0.000 1.302 327 H CB -0.056 29.744 29.762 0.063 0.000 1.373 327 H HN 0.594 nan 8.280 nan 0.000 0.497 328 D N -0.533 119.830 120.400 -0.063 0.000 2.224 328 D HA -0.059 4.582 4.640 0.001 0.000 0.205 328 D C 2.134 178.317 176.300 -0.196 0.000 0.965 328 D CA 0.807 54.733 54.000 -0.123 0.000 0.852 328 D CB -0.350 40.409 40.800 -0.068 0.000 0.947 328 D HN 0.646 nan 8.370 nan 0.000 0.494 329 H N -0.393 118.609 119.070 -0.113 0.000 2.293 329 H HA 0.012 4.569 4.556 0.001 0.000 0.300 329 H C 2.154 177.301 175.328 -0.301 0.000 1.082 329 H CA 0.944 56.889 56.048 -0.170 0.000 1.308 329 H CB 0.010 29.675 29.762 -0.161 0.000 1.375 329 H HN 0.034 nan 8.280 nan 0.000 0.495 330 M N 0.467 119.951 119.600 -0.193 0.000 2.159 330 M HA -0.181 4.299 4.480 0.001 0.000 0.263 330 M C 2.301 178.209 176.300 -0.653 0.000 1.063 330 M CA 1.428 56.535 55.300 -0.322 0.000 1.110 330 M CB -0.049 32.499 32.600 -0.086 0.000 1.374 330 M HN 0.137 nan 8.290 nan 0.000 0.411 331 K N 0.506 120.503 120.400 -0.671 0.000 2.211 331 K HA -0.055 4.265 4.320 0.001 0.000 0.203 331 K C 1.574 177.845 176.600 -0.548 0.000 1.050 331 K CA 1.285 57.046 56.287 -0.877 0.000 0.945 331 K CB 0.037 32.259 32.500 -0.463 0.000 0.732 331 K HN 0.278 nan 8.250 nan 0.000 0.451 332 A N 0.495 123.110 122.820 -0.341 0.000 2.218 332 A HA 0.203 4.524 4.320 0.001 0.000 0.209 332 A C 0.643 178.115 177.584 -0.186 0.000 1.168 332 A CA -0.155 51.762 52.037 -0.201 0.000 0.804 332 A CB -0.216 18.728 19.000 -0.093 0.000 0.834 332 A HN 0.248 nan 8.150 nan 0.000 0.482 333 M N 0.265 119.703 119.600 -0.271 0.000 2.226 333 M HA 0.141 4.622 4.480 0.001 0.000 0.324 333 M C 0.801 177.024 176.300 -0.128 0.000 1.112 333 M CA -0.041 55.153 55.300 -0.178 0.000 1.176 333 M CB 0.431 32.880 32.600 -0.253 0.000 1.430 333 M HN 0.311 nan 8.290 nan 0.000 0.462 334 R N 1.089 121.573 120.500 -0.028 0.000 2.594 334 R HA 0.026 4.367 4.340 0.001 0.000 0.272 334 R C -0.476 175.824 176.300 0.001 0.000 1.074 334 R CA -0.372 55.726 56.100 -0.003 0.000 1.105 334 R CB 0.414 30.726 30.300 0.021 0.000 1.008 334 R HN 0.606 nan 8.270 nan 0.000 0.472 335 H N 4.251 123.281 119.070 -0.066 0.000 3.070 335 H HA -0.050 4.506 4.556 0.001 0.000 0.313 335 H C -0.093 175.223 175.328 -0.020 0.000 0.997 335 H CA 1.295 57.307 56.048 -0.060 0.000 1.438 335 H CB 0.238 29.964 29.762 -0.060 0.000 1.455 335 H HN 0.742 nan 8.280 nan 0.000 0.575 336 N N 1.392 119.792 118.700 -0.501 0.000 2.782 336 N HA -0.198 4.543 4.740 0.001 0.000 0.251 336 N C -0.579 174.867 175.510 -0.106 0.000 1.101 336 N CA 0.856 53.726 53.050 -0.300 0.000 0.764 336 N CB -1.575 36.717 38.487 -0.325 0.000 1.122 336 N HN 0.803 nan 8.380 nan 0.000 0.561 337 A N 0.271 123.059 122.820 -0.054 0.000 2.561 337 A HA 0.310 4.631 4.320 0.001 0.000 0.234 337 A C 0.769 178.378 177.584 0.041 0.000 1.055 337 A CA 0.371 52.435 52.037 0.045 0.000 0.756 337 A CB 0.138 19.227 19.000 0.149 0.000 0.986 337 A HN 0.325 nan 8.150 nan 0.000 0.505 338 I N 2.292 122.906 120.570 0.074 0.000 2.353 338 I HA 0.363 4.534 4.170 0.001 0.000 0.293 338 I C -0.531 175.667 176.117 0.135 0.000 0.992 338 I CA -0.411 60.921 61.300 0.053 0.000 1.268 338 I CB 1.666 39.672 38.000 0.011 0.000 1.387 338 I HN 0.294 nan 8.210 nan 0.000 0.478 339 V N 5.980 125.936 119.914 0.070 0.000 2.487 339 V HA 0.541 4.662 4.120 0.001 0.000 0.298 339 V C -0.266 175.855 176.094 0.046 0.000 1.028 339 V CA -0.486 61.861 62.300 0.078 0.000 0.860 339 V CB 1.527 33.335 31.823 -0.026 0.000 0.991 339 V HN 1.023 nan 8.190 nan 0.000 0.427 340 C N 2.564 121.906 119.300 0.070 0.000 3.291 340 C HA 0.881 5.342 4.460 0.001 0.000 0.316 340 C C -0.967 174.060 174.990 0.061 0.000 1.391 340 C CA -0.876 58.173 59.018 0.051 0.000 1.394 340 C CB 1.697 29.461 27.740 0.039 0.000 1.744 340 C HN 0.797 nan 8.230 nan 0.000 0.461 341 N N -0.019 118.714 118.700 0.055 0.000 2.346 341 N HA 0.621 5.362 4.740 0.001 0.000 0.289 341 N C -0.823 174.723 175.510 0.059 0.000 1.027 341 N CA -0.678 52.408 53.050 0.061 0.000 0.864 341 N CB 1.661 40.184 38.487 0.061 0.000 1.370 341 N HN 0.942 nan 8.380 nan 0.000 0.481 342 I N 1.884 122.491 120.570 0.063 0.000 4.225 342 I HA 0.457 4.628 4.170 0.001 0.000 0.327 342 I C 0.863 177.026 176.117 0.077 0.000 1.422 342 I CA -0.280 61.058 61.300 0.064 0.000 1.150 342 I CB 0.066 38.100 38.000 0.057 0.000 1.192 342 I HN 0.640 nan 8.210 nan 0.000 0.440 343 G N -0.222 108.631 108.800 0.087 0.000 3.226 343 G HA2 0.017 3.977 3.960 0.001 0.000 0.190 343 G HA3 0.017 3.977 3.960 0.001 0.000 0.190 343 G C -0.521 174.471 174.900 0.153 0.000 1.988 343 G CA -0.078 45.090 45.100 0.113 0.000 0.859 343 G HN 0.326 nan 8.290 nan 0.000 0.631 344 H N 0.217 119.315 119.070 0.046 0.000 2.707 344 H HA 0.219 4.776 4.556 0.001 0.000 0.359 344 H C 1.544 176.873 175.328 0.003 0.000 1.113 344 H CA -0.501 55.559 56.048 0.020 0.000 1.422 344 H CB 0.543 30.277 29.762 -0.046 0.000 1.443 344 H HN 0.264 nan 8.280 nan 0.000 0.591 345 F N 1.347 120.957 119.950 -0.567 0.000 2.192 345 F HA -0.106 4.422 4.527 0.001 0.000 0.301 345 F C 0.015 175.716 175.800 -0.166 0.000 1.079 345 F CA 0.879 58.699 58.000 -0.300 0.000 1.303 345 F CB -0.054 38.782 39.000 -0.273 0.000 1.024 345 F HN 0.532 nan 8.300 nan 0.000 0.494 346 D N -2.512 117.450 120.400 -0.730 0.000 2.692 346 D HA 0.207 4.848 4.640 0.001 0.000 0.303 346 D C 0.289 176.511 176.300 -0.129 0.000 1.278 346 D CA -0.307 53.541 54.000 -0.254 0.000 0.852 346 D CB 1.319 42.085 40.800 -0.057 0.000 1.375 346 D HN -0.110 nan 8.370 nan 0.000 0.453 347 S N -0.974 114.741 115.700 0.024 0.000 3.127 347 S HA -0.185 4.286 4.470 0.001 0.000 0.281 347 S C 0.972 175.637 174.600 0.107 0.000 1.293 347 S CA 1.241 59.509 58.200 0.112 0.000 1.156 347 S CB -1.127 62.185 63.200 0.187 0.000 1.389 347 S HN 0.654 nan 8.310 nan 0.000 0.672 348 E N -0.175 120.075 120.200 0.084 0.000 2.106 348 E HA -0.002 4.348 4.350 0.001 0.000 0.192 348 E C 0.697 177.328 176.600 0.051 0.000 0.984 348 E CA 0.873 57.322 56.400 0.081 0.000 0.806 348 E CB 0.093 29.845 29.700 0.086 0.000 0.750 348 E HN 0.625 nan 8.360 nan 0.000 0.458 349 I N 1.674 122.260 120.570 0.026 0.000 2.377 349 I HA 0.079 4.250 4.170 0.001 0.000 0.293 349 I C 0.084 176.126 176.117 -0.125 0.000 0.987 349 I CA -0.672 60.610 61.300 -0.030 0.000 1.185 349 I CB 1.393 39.395 38.000 0.002 0.000 1.341 349 I HN -0.247 nan 8.210 nan 0.000 0.455 350 D N 5.795 125.996 120.400 -0.331 0.000 2.600 350 D HA 0.082 4.723 4.640 0.001 0.000 0.226 350 D C 0.995 177.219 176.300 -0.126 0.000 1.119 350 D CA 0.110 53.788 54.000 -0.537 0.000 1.051 350 D CB 0.570 40.868 40.800 -0.837 0.000 1.106 350 D HN 0.286 nan 8.370 nan 0.000 0.491 351 V N 2.420 122.333 119.914 -0.002 0.000 2.427 351 V HA -0.204 3.916 4.120 0.001 0.000 0.248 351 V C 2.515 178.710 176.094 0.167 0.000 1.051 351 V CA 1.738 64.129 62.300 0.150 0.000 1.048 351 V CB -0.598 31.349 31.823 0.207 0.000 0.666 351 V HN 0.553 nan 8.190 nan 0.000 0.456 352 A N 0.885 123.754 122.820 0.082 0.000 2.019 352 A HA -0.180 4.140 4.320 0.001 0.000 0.219 352 A C 2.426 180.035 177.584 0.042 0.000 1.164 352 A CA 1.955 54.025 52.037 0.055 0.000 0.644 352 A CB -0.593 18.444 19.000 0.063 0.000 0.805 352 A HN 0.695 nan 8.150 nan 0.000 0.449 353 S N -0.844 114.889 115.700 0.055 0.000 2.561 353 S HA -0.050 4.421 4.470 0.001 0.000 0.225 353 S C 1.435 176.113 174.600 0.130 0.000 0.977 353 S CA 1.343 59.579 58.200 0.059 0.000 0.926 353 S CB -0.719 62.533 63.200 0.087 0.000 0.769 353 S HN 0.755 nan 8.310 nan 0.000 0.533 354 T N -1.654 113.019 114.554 0.198 0.000 3.023 354 T HA 0.329 4.680 4.350 0.001 0.000 0.253 354 T C 1.602 176.493 174.700 0.318 0.000 1.038 354 T CA -0.548 61.744 62.100 0.320 0.000 0.962 354 T CB -0.039 69.067 68.868 0.398 0.000 1.018 354 T HN 0.108 nan 8.240 nan 0.000 0.521 355 R N 2.089 122.652 120.500 0.105 0.000 2.193 355 R HA -0.060 4.281 4.340 0.001 0.000 0.229 355 R C 2.487 178.692 176.300 -0.159 0.000 1.110 355 R CA 1.377 57.401 56.100 -0.127 0.000 0.988 355 R CB -0.573 29.600 30.300 -0.211 0.000 0.871 355 R HN 0.847 nan 8.270 nan 0.000 0.458 356 Q N -0.875 118.780 119.800 -0.242 0.000 2.364 356 Q HA -0.084 4.257 4.340 0.001 0.000 0.207 356 Q C -0.193 175.594 176.000 -0.355 0.000 0.970 356 Q CA 0.945 56.535 55.803 -0.354 0.000 0.888 356 Q CB -0.154 28.273 28.738 -0.517 0.000 0.951 356 Q HN 0.181 nan 8.270 nan 0.000 0.469 357 Y N 1.420 121.733 120.300 0.022 0.000 2.403 357 Y HA 0.219 4.770 4.550 0.001 0.000 0.323 357 Y C 0.321 176.300 175.900 0.131 0.000 1.226 357 Y CA -1.653 56.451 58.100 0.008 0.000 1.235 357 Y CB 0.734 39.091 38.460 -0.172 0.000 1.248 357 Y HN 0.014 nan 8.280 nan 0.000 0.489 358 Q N 1.430 121.395 119.800 0.276 0.000 2.300 358 Q HA 0.022 4.362 4.340 0.001 0.000 0.280 358 Q C -1.638 174.586 176.000 0.374 0.000 1.033 358 Q CA 0.027 55.975 55.803 0.241 0.000 0.903 358 Q CB 0.400 29.223 28.738 0.143 0.000 1.195 358 Q HN 0.631 nan 8.270 nan 0.000 0.386 359 W N 2.710 124.028 121.300 0.030 0.000 2.578 359 W HA 0.412 5.072 4.660 0.001 0.000 0.346 359 W C -0.377 176.173 176.519 0.052 0.000 1.075 359 W CA -0.692 56.678 57.345 0.041 0.000 1.233 359 W CB 1.299 30.779 29.460 0.034 0.000 1.358 359 W HN 0.575 nan 8.180 nan 0.000 0.574 360 E N 2.392 122.748 120.200 0.261 0.000 2.265 360 E HA 0.119 4.469 4.350 0.001 0.000 0.262 360 E C -0.601 176.094 176.600 0.158 0.000 0.889 360 E CA -0.520 55.995 56.400 0.193 0.000 0.789 360 E CB 0.989 30.788 29.700 0.165 0.000 1.221 360 E HN 0.469 nan 8.360 nan 0.000 0.414 361 N N 4.878 123.661 118.700 0.139 0.000 2.454 361 N HA 0.024 4.764 4.740 0.001 0.000 0.260 361 N C 0.665 176.194 175.510 0.032 0.000 1.218 361 N CA 0.312 53.416 53.050 0.090 0.000 0.904 361 N CB 0.697 39.236 38.487 0.087 0.000 1.065 361 N HN 0.611 nan 8.380 nan 0.000 0.462 362 I N 2.297 122.852 120.570 -0.024 0.000 2.556 362 I HA 0.005 4.176 4.170 0.001 0.000 0.251 362 I C 0.742 176.838 176.117 -0.035 0.000 1.105 362 I CA 0.642 61.901 61.300 -0.069 0.000 1.436 362 I CB 0.068 37.965 38.000 -0.172 0.000 1.139 362 I HN 0.640 nan 8.210 nan 0.000 0.438 363 K N 0.187 120.572 120.400 -0.025 0.000 2.680 363 K HA 0.360 4.681 4.320 0.001 0.000 0.295 363 K C -3.054 173.547 176.600 0.001 0.000 1.052 363 K CA -1.497 54.784 56.287 -0.010 0.000 0.863 363 K CB 0.762 33.251 32.500 -0.018 0.000 1.549 363 K HN -0.379 nan 8.250 nan 0.000 0.391 364 P HA -0.002 nan 4.420 nan 0.000 0.260 364 P C -0.799 176.505 177.300 0.007 0.000 1.185 364 P CA 0.718 63.823 63.100 0.009 0.000 0.763 364 P CB 0.295 31.998 31.700 0.004 0.000 0.776 365 Q N -0.741 119.070 119.800 0.018 0.000 2.429 365 Q HA -0.108 4.233 4.340 0.001 0.000 0.232 365 Q C -0.652 175.354 176.000 0.010 0.000 0.724 365 Q CA 0.788 56.603 55.803 0.021 0.000 1.287 365 Q CB -2.414 26.329 28.738 0.010 0.000 1.429 365 Q HN 0.359 nan 8.270 nan 0.000 0.721 366 V N 1.079 120.992 119.914 -0.001 0.000 2.524 366 V HA 0.569 4.689 4.120 0.001 0.000 0.297 366 V C -0.279 175.784 176.094 -0.052 0.000 1.035 366 V CA -0.704 61.571 62.300 -0.042 0.000 0.867 366 V CB 2.431 34.214 31.823 -0.066 0.000 1.004 366 V HN 0.026 nan 8.190 nan 0.000 0.426 367 D N 1.319 121.665 120.400 -0.090 0.000 2.738 367 D HA 0.397 5.038 4.640 0.001 0.000 0.237 367 D C -0.915 175.277 176.300 -0.179 0.000 1.123 367 D CA -0.535 53.407 54.000 -0.096 0.000 0.856 367 D CB 2.511 43.280 40.800 -0.053 0.000 1.552 367 D HN 0.631 nan 8.370 nan 0.000 0.480 368 H N 0.890 119.857 119.070 -0.172 0.000 2.527 368 H HA 0.405 4.962 4.556 0.001 0.000 0.321 368 H C -0.115 174.998 175.328 -0.358 0.000 1.087 368 H CA -0.429 55.498 56.048 -0.203 0.000 1.337 368 H CB 1.295 31.003 29.762 -0.089 0.000 1.440 368 H HN 0.162 nan 8.280 nan 0.000 0.490 369 I N 6.087 126.483 120.570 -0.288 0.000 2.339 369 I HA 0.179 4.350 4.170 0.001 0.000 0.290 369 I C -0.348 175.643 176.117 -0.210 0.000 0.994 369 I CA -0.362 60.663 61.300 -0.458 0.000 1.191 369 I CB 1.204 38.895 38.000 -0.514 0.000 1.343 369 I HN 0.403 nan 8.210 nan 0.000 0.458 370 I N 6.490 126.951 120.570 -0.180 0.000 2.312 370 I HA 0.313 4.484 4.170 0.001 0.000 0.290 370 I C -0.313 175.645 176.117 -0.264 0.000 1.008 370 I CA -0.319 60.909 61.300 -0.119 0.000 1.226 370 I CB 0.613 38.587 38.000 -0.043 0.000 1.371 370 I HN 0.338 nan 8.210 nan 0.000 0.468 371 F N 7.171 126.945 119.950 -0.292 0.000 2.370 371 F HA 0.304 4.831 4.527 0.001 0.000 0.324 371 F C -1.144 174.507 175.800 -0.248 0.000 1.116 371 F CA -1.425 56.289 58.000 -0.477 0.000 1.123 371 F CB 0.432 39.170 39.000 -0.436 0.000 1.238 371 F HN 0.339 nan 8.300 nan 0.000 0.536 372 P HA -0.204 nan 4.420 nan 0.000 0.216 372 P C 0.661 177.981 177.300 0.033 0.000 1.150 372 P CA 1.568 64.694 63.100 0.043 0.000 0.843 372 P CB -0.055 31.707 31.700 0.103 0.000 0.787 373 D N -2.041 118.376 120.400 0.028 0.000 2.336 373 D HA 0.070 4.711 4.640 0.001 0.000 0.229 373 D C 1.425 177.712 176.300 -0.022 0.000 1.061 373 D CA 0.599 54.598 54.000 -0.001 0.000 0.875 373 D CB -0.943 39.846 40.800 -0.017 0.000 0.904 373 D HN 0.252 nan 8.370 nan 0.000 0.525 374 G N 0.351 109.144 108.800 -0.010 0.000 2.205 374 G HA2 -0.322 3.639 3.960 0.001 0.000 0.261 374 G HA3 -0.322 3.639 3.960 0.001 0.000 0.261 374 G C 0.335 175.212 174.900 -0.039 0.000 0.980 374 G CA 0.231 45.311 45.100 -0.034 0.000 0.632 374 G HN 0.564 nan 8.290 nan 0.000 0.533 375 K N 1.409 121.801 120.400 -0.013 0.000 2.412 375 K HA 0.306 4.626 4.320 0.001 0.000 0.281 375 K C 0.406 177.097 176.600 0.151 0.000 1.027 375 K CA 0.067 56.394 56.287 0.067 0.000 0.989 375 K CB 0.158 32.636 32.500 -0.037 0.000 0.935 375 K HN 0.504 nan 8.250 nan 0.000 0.475 376 R N 2.055 122.702 120.500 0.245 0.000 2.711 376 R HA 0.510 4.851 4.340 0.001 0.000 0.284 376 R C -0.804 175.435 176.300 -0.102 0.000 0.968 376 R CA -1.068 54.997 56.100 -0.058 0.000 0.924 376 R CB 1.950 31.961 30.300 -0.483 0.000 1.162 376 R HN 0.265 nan 8.270 nan 0.000 0.465 377 V N 3.575 123.476 119.914 -0.022 0.000 2.604 377 V HA 0.427 4.548 4.120 0.001 0.000 0.305 377 V C -0.118 175.992 176.094 0.027 0.000 1.043 377 V CA -0.779 61.508 62.300 -0.022 0.000 0.888 377 V CB 2.120 33.933 31.823 -0.016 0.000 0.995 377 V HN 0.589 nan 8.190 nan 0.000 0.429 378 I N 5.331 125.903 120.570 0.004 0.000 2.304 378 I HA 0.352 4.523 4.170 0.001 0.000 0.291 378 I C -0.576 175.493 176.117 -0.081 0.000 1.018 378 I CA -0.320 60.953 61.300 -0.046 0.000 1.260 378 I CB 1.246 39.194 38.000 -0.086 0.000 1.390 378 I HN 0.370 nan 8.210 nan 0.000 0.475 379 L N 8.377 129.520 121.223 -0.133 0.000 2.317 379 L HA 0.577 4.918 4.340 0.001 0.000 0.281 379 L C -0.896 175.930 176.870 -0.074 0.000 1.024 379 L CA -0.212 54.558 54.840 -0.116 0.000 0.810 379 L CB 1.311 43.246 42.059 -0.206 0.000 1.240 379 L HN 0.419 nan 8.230 nan 0.000 0.427 380 L N 6.189 127.396 121.223 -0.027 0.000 2.309 380 L HA 0.605 4.945 4.340 0.001 0.000 0.282 380 L C 1.153 178.038 176.870 0.024 0.000 1.036 380 L CA -0.553 54.283 54.840 -0.005 0.000 0.806 380 L CB 1.497 43.556 42.059 -0.001 0.000 1.220 380 L HN 0.936 nan 8.230 nan 0.000 0.429 381 A N 2.152 124.991 122.820 0.032 0.000 2.816 381 A HA -0.256 4.065 4.320 0.001 0.000 0.270 381 A C 0.868 178.500 177.584 0.080 0.000 1.413 381 A CA 1.319 53.384 52.037 0.047 0.000 0.866 381 A CB -1.976 17.046 19.000 0.037 0.000 1.032 381 A HN 1.006 nan 8.150 nan 0.000 0.642 382 E N -3.753 116.515 120.200 0.114 0.000 2.660 382 E HA -0.244 4.107 4.350 0.001 0.000 0.260 382 E C 1.265 177.958 176.600 0.156 0.000 1.122 382 E CA 1.255 57.771 56.400 0.193 0.000 0.755 382 E CB -2.006 27.824 29.700 0.216 0.000 1.345 382 E HN 2.522 nan 8.360 nan 0.000 0.421 383 G N -0.293 108.568 108.800 0.103 0.000 2.176 383 G HA2 -0.360 3.601 3.960 0.001 0.000 0.253 383 G HA3 -0.360 3.601 3.960 0.001 0.000 0.253 383 G C 0.445 175.395 174.900 0.084 0.000 0.979 383 G CA 0.533 45.684 45.100 0.086 0.000 0.641 383 G HN 0.290 nan 8.290 nan 0.000 0.530 384 R N -0.659 119.896 120.500 0.092 0.000 2.584 384 R HA 0.628 4.969 4.340 0.001 0.000 0.253 384 R C 0.821 177.164 176.300 0.072 0.000 1.251 384 R CA -0.650 55.507 56.100 0.096 0.000 1.129 384 R CB 0.219 30.578 30.300 0.099 0.000 1.239 384 R HN 0.192 nan 8.270 nan 0.000 0.595 385 L N 1.450 122.715 121.223 0.069 0.000 2.433 385 L HA -0.003 4.337 4.340 0.001 0.000 0.275 385 L C 1.507 178.398 176.870 0.035 0.000 1.128 385 L CA -0.076 54.794 54.840 0.051 0.000 0.875 385 L CB 1.091 43.176 42.059 0.045 0.000 1.171 385 L HN 0.496 nan 8.230 nan 0.000 0.463 386 V N 4.851 124.786 119.914 0.035 0.000 2.548 386 V HA -0.203 3.918 4.120 0.001 0.000 0.249 386 V C 2.194 178.302 176.094 0.023 0.000 1.055 386 V CA 2.045 64.362 62.300 0.028 0.000 1.065 386 V CB -0.368 31.472 31.823 0.029 0.000 0.681 386 V HN 1.082 nan 8.190 nan 0.000 0.462 387 N N 0.233 118.949 118.700 0.025 0.000 2.396 387 N HA -0.124 4.617 4.740 0.001 0.000 0.180 387 N C 1.611 177.122 175.510 0.002 0.000 1.028 387 N CA 1.720 54.784 53.050 0.024 0.000 0.893 387 N CB -0.333 38.181 38.487 0.045 0.000 0.967 387 N HN 0.527 nan 8.380 nan 0.000 0.440 388 L N -0.681 120.535 121.223 -0.011 0.000 2.357 388 L HA 0.287 4.628 4.340 0.001 0.000 0.211 388 L C 2.516 179.380 176.870 -0.010 0.000 1.075 388 L CA 0.692 55.516 54.840 -0.027 0.000 0.830 388 L CB -0.311 41.721 42.059 -0.046 0.000 0.996 388 L HN 0.231 nan 8.230 nan 0.000 0.467 389 G N -0.970 107.831 108.800 0.001 0.000 2.411 389 G HA2 -0.143 3.817 3.960 0.001 0.000 0.213 389 G HA3 -0.143 3.817 3.960 0.001 0.000 0.213 389 G C 1.298 176.201 174.900 0.004 0.000 1.166 389 G CA 0.707 45.808 45.100 0.002 0.000 0.802 389 G HN 0.387 nan 8.290 nan 0.000 0.533 390 C N -0.104 119.201 119.300 0.008 0.000 3.070 390 C HA 0.770 5.230 4.460 0.001 0.000 0.280 390 C C 1.498 176.496 174.990 0.012 0.000 1.264 390 C CA -0.107 58.916 59.018 0.008 0.000 1.690 390 C CB -0.569 27.175 27.740 0.007 0.000 2.049 390 C HN 0.589 nan 8.230 nan 0.000 0.636 391 A N 0.860 123.689 122.820 0.015 0.000 3.827 391 A HA 0.657 4.978 4.320 0.001 0.000 0.199 391 A C 0.788 178.385 177.584 0.021 0.000 0.867 391 A CA 0.738 52.788 52.037 0.022 0.000 0.776 391 A CB -0.297 18.720 19.000 0.029 0.000 1.446 391 A HN 0.292 nan 8.150 nan 0.000 0.768 392 T N -2.608 111.963 114.554 0.028 0.000 3.182 392 T HA 0.522 4.873 4.350 0.001 0.000 0.277 392 T C 0.997 175.704 174.700 0.012 0.000 1.013 392 T CA 1.131 63.247 62.100 0.026 0.000 0.900 392 T CB -0.534 68.359 68.868 0.042 0.000 1.098 392 T HN 2.558 nan 8.240 nan 0.000 0.543 393 G N 1.890 110.690 108.800 0.000 0.000 2.698 393 G HA2 -0.178 3.783 3.960 0.001 0.000 0.233 393 G HA3 -0.178 3.783 3.960 0.001 0.000 0.233 393 G C -0.745 174.197 174.900 0.068 0.000 1.352 393 G CA -0.684 44.392 45.100 -0.041 0.000 0.879 393 G HN 0.670 nan 8.290 nan 0.000 0.567 394 H N 1.778 120.856 119.070 0.014 0.000 2.790 394 H HA 0.394 4.951 4.556 0.001 0.000 0.358 394 H C -1.286 174.062 175.328 0.032 0.000 1.103 394 H CA -0.329 55.736 56.048 0.030 0.000 1.426 394 H CB 0.169 29.943 29.762 0.020 0.000 1.424 394 H HN 0.503 nan 8.280 nan 0.000 0.599 395 P HA 0.090 nan 4.420 nan 0.000 0.274 395 P C 0.530 177.897 177.300 0.112 0.000 1.246 395 P CA -0.352 62.825 63.100 0.128 0.000 0.795 395 P CB 0.899 32.673 31.700 0.123 0.000 1.006 396 S N -0.077 115.682 115.700 0.098 0.000 2.370 396 S HA -0.170 4.301 4.470 0.001 0.000 0.226 396 S C 1.560 176.194 174.600 0.057 0.000 1.033 396 S CA 1.086 59.325 58.200 0.066 0.000 1.011 396 S CB -1.040 62.206 63.200 0.077 0.000 0.852 396 S HN 0.528 nan 8.310 nan 0.000 0.457 397 F N 2.187 122.123 119.950 -0.024 0.000 2.171 397 F HA -0.135 4.392 4.527 0.001 0.000 0.300 397 F C 2.115 177.803 175.800 -0.187 0.000 1.090 397 F CA 0.909 58.871 58.000 -0.062 0.000 1.293 397 F CB -0.308 38.677 39.000 -0.024 0.000 1.013 397 F HN -0.044 nan 8.300 nan 0.000 0.486 398 V N 0.259 120.209 119.914 0.061 0.000 2.261 398 V HA -0.336 3.785 4.120 0.001 0.000 0.246 398 V C 2.410 178.368 176.094 -0.227 0.000 1.047 398 V CA 1.911 64.204 62.300 -0.012 0.000 1.015 398 V CB -0.537 31.337 31.823 0.086 0.000 0.642 398 V HN 0.284 nan 8.190 nan 0.000 0.446 399 M N -0.303 119.162 119.600 -0.225 0.000 2.279 399 M HA -0.119 4.361 4.480 0.001 0.000 0.264 399 M C 2.435 178.362 176.300 -0.622 0.000 1.062 399 M CA 1.686 56.672 55.300 -0.524 0.000 1.099 399 M CB -1.745 30.553 32.600 -0.504 0.000 1.394 399 M HN 0.450 nan 8.290 nan 0.000 0.426 400 S N 0.587 116.066 115.700 -0.368 0.000 2.382 400 S HA -0.146 4.324 4.470 0.001 0.000 0.228 400 S C 1.671 176.120 174.600 -0.252 0.000 1.027 400 S CA 1.725 59.796 58.200 -0.214 0.000 0.991 400 S CB -0.150 62.967 63.200 -0.138 0.000 0.823 400 S HN 0.546 nan 8.310 nan 0.000 0.469 401 N N 0.630 118.981 118.700 -0.582 0.000 2.135 401 N HA 0.031 4.772 4.740 0.001 0.000 0.186 401 N C 1.962 177.324 175.510 -0.246 0.000 1.027 401 N CA 1.484 54.173 53.050 -0.603 0.000 0.849 401 N CB -0.252 37.639 38.487 -0.992 0.000 1.002 401 N HN 0.256 nan 8.380 nan 0.000 0.425 402 S N 0.164 115.727 115.700 -0.229 0.000 2.359 402 S HA -0.080 4.390 4.470 0.001 0.000 0.224 402 S C 1.333 176.006 174.600 0.122 0.000 1.035 402 S CA 0.996 59.149 58.200 -0.079 0.000 1.018 402 S CB -0.345 62.774 63.200 -0.135 0.000 0.876 402 S HN 0.261 nan 8.310 nan 0.000 0.448 403 F N 1.891 121.839 119.950 -0.003 0.000 2.367 403 F HA 0.076 4.604 4.527 0.001 0.000 0.298 403 F C 2.628 178.428 175.800 -0.000 0.000 1.094 403 F CA 0.273 58.281 58.000 0.013 0.000 1.409 403 F CB -1.775 37.228 39.000 0.004 0.000 1.064 403 F HN 0.137 nan 8.300 nan 0.000 0.528 404 T N -0.306 114.348 114.554 0.167 0.000 2.904 404 T HA -0.133 4.218 4.350 0.001 0.000 0.267 404 T C 1.951 176.690 174.700 0.064 0.000 1.059 404 T CA 0.971 63.128 62.100 0.096 0.000 1.137 404 T CB -0.239 68.692 68.868 0.106 0.000 0.879 404 T HN 0.250 nan 8.240 nan 0.000 0.467 405 N N 1.057 119.791 118.700 0.057 0.000 2.069 405 N HA -0.119 4.622 4.740 0.001 0.000 0.191 405 N C 2.080 177.620 175.510 0.049 0.000 1.031 405 N CA 1.080 54.147 53.050 0.028 0.000 0.852 405 N CB -0.120 38.383 38.487 0.026 0.000 1.018 405 N HN 0.391 nan 8.380 nan 0.000 0.423 406 Q N 0.291 120.157 119.800 0.109 0.000 2.084 406 Q HA -0.071 4.269 4.340 0.001 0.000 0.202 406 Q C 1.969 178.010 176.000 0.068 0.000 0.978 406 Q CA 1.249 57.117 55.803 0.108 0.000 0.844 406 Q CB -0.645 28.178 28.738 0.142 0.000 0.898 406 Q HN 0.431 nan 8.270 nan 0.000 0.426 407 T N 1.906 116.492 114.554 0.052 0.000 2.701 407 T HA -0.059 4.291 4.350 0.001 0.000 0.263 407 T C 2.099 176.784 174.700 -0.024 0.000 1.040 407 T CA 0.787 62.889 62.100 0.003 0.000 1.147 407 T CB -0.264 68.598 68.868 -0.010 0.000 0.865 407 T HN 0.169 nan 8.240 nan 0.000 0.426 408 L N 0.828 122.041 121.223 -0.017 0.000 2.083 408 L HA -0.104 4.236 4.340 0.001 0.000 0.209 408 L C 3.055 179.933 176.870 0.014 0.000 1.083 408 L CA 1.160 55.983 54.840 -0.028 0.000 0.752 408 L CB -0.735 41.307 42.059 -0.029 0.000 0.899 408 L HN 0.262 nan 8.230 nan 0.000 0.433 409 A N -0.682 122.163 122.820 0.043 0.000 1.902 409 A HA -0.206 4.114 4.320 0.001 0.000 0.217 409 A C 2.274 179.995 177.584 0.228 0.000 1.181 409 A CA 1.242 53.400 52.037 0.203 0.000 0.623 409 A CB -0.336 18.796 19.000 0.219 0.000 0.818 409 A HN 0.391 nan 8.150 nan 0.000 0.443 410 Q N -0.368 119.494 119.800 0.103 0.000 2.079 410 Q HA -0.105 4.236 4.340 0.001 0.000 0.200 410 Q C 2.175 178.216 176.000 0.069 0.000 0.974 410 Q CA 1.393 57.229 55.803 0.055 0.000 0.840 410 Q CB -0.388 28.351 28.738 0.002 0.000 0.898 410 Q HN 0.776 nan 8.270 nan 0.000 0.430 411 I N 0.740 121.328 120.570 0.029 0.000 2.179 411 I HA -0.285 3.886 4.170 0.001 0.000 0.242 411 I C 2.479 178.661 176.117 0.108 0.000 1.088 411 I CA 1.359 62.676 61.300 0.028 0.000 1.357 411 I CB -0.211 37.709 38.000 -0.133 0.000 1.051 411 I HN 0.186 nan 8.210 nan 0.000 0.409 412 E N 1.388 121.666 120.200 0.130 0.000 2.077 412 E HA -0.183 4.168 4.350 0.001 0.000 0.193 412 E C 2.163 178.815 176.600 0.087 0.000 0.989 412 E CA 1.453 57.963 56.400 0.183 0.000 0.800 412 E CB -0.209 29.683 29.700 0.319 0.000 0.746 412 E HN 0.402 nan 8.360 nan 0.000 0.452 413 L N -0.476 120.741 121.223 -0.010 0.000 2.131 413 L HA -0.035 4.306 4.340 0.001 0.000 0.206 413 L C 2.214 179.069 176.870 -0.025 0.000 1.087 413 L CA 0.750 55.474 54.840 -0.195 0.000 0.767 413 L CB -0.355 41.503 42.059 -0.335 0.000 0.917 413 L HN 0.224 nan 8.230 nan 0.000 0.441 414 F N 1.142 121.045 119.950 -0.078 0.000 2.146 414 F HA -0.210 4.318 4.527 0.001 0.000 0.298 414 F C 2.691 178.478 175.800 -0.023 0.000 1.096 414 F CA 1.952 59.919 58.000 -0.055 0.000 1.275 414 F CB -0.269 38.700 39.000 -0.052 0.000 1.008 414 F HN 0.091 nan 8.300 nan 0.000 0.480 415 T N -2.610 111.923 114.554 -0.036 0.000 3.054 415 T HA 0.128 4.479 4.350 0.001 0.000 0.259 415 T C 1.504 176.168 174.700 -0.060 0.000 1.092 415 T CA 0.349 62.388 62.100 -0.102 0.000 1.121 415 T CB -0.130 68.766 68.868 0.046 0.000 0.912 415 T HN 0.305 nan 8.240 nan 0.000 0.489 416 R N -0.017 120.491 120.500 0.013 0.000 2.569 416 R HA 0.319 4.659 4.340 0.001 0.000 0.422 416 R C 1.984 178.376 176.300 0.153 0.000 0.980 416 R CA 0.160 56.309 56.100 0.082 0.000 1.164 416 R CB 0.378 30.780 30.300 0.171 0.000 1.520 416 R HN 0.389 nan 8.270 nan 0.000 0.567 417 G N 0.524 109.354 108.800 0.050 0.000 2.470 417 G HA2 -0.208 3.753 3.960 0.001 0.000 0.220 417 G HA3 -0.208 3.753 3.960 0.001 0.000 0.220 417 G C 1.317 176.279 174.900 0.103 0.000 1.121 417 G CA 0.958 46.092 45.100 0.057 0.000 0.766 417 G HN 0.391 nan 8.290 nan 0.000 0.553 418 G N 0.537 109.360 108.800 0.037 0.000 2.443 418 G HA2 -0.078 3.883 3.960 0.001 0.000 0.219 418 G HA3 -0.078 3.883 3.960 0.001 0.000 0.219 418 G C 1.496 176.397 174.900 0.001 0.000 1.131 418 G CA 0.612 45.718 45.100 0.009 0.000 0.775 418 G HN 0.388 nan 8.290 nan 0.000 0.547 419 E N -0.395 119.793 120.200 -0.019 0.000 2.482 419 E HA 0.066 4.416 4.350 0.001 0.000 0.196 419 E C -0.360 176.048 176.600 -0.320 0.000 1.047 419 E CA 0.161 56.452 56.400 -0.181 0.000 0.869 419 E CB -0.024 29.502 29.700 -0.291 0.000 0.836 419 E HN 0.555 nan 8.360 nan 0.000 0.520 420 Y N -0.375 119.860 120.300 -0.108 0.000 2.487 420 Y HA 0.541 5.091 4.550 0.001 0.000 0.337 420 Y C 0.623 176.536 175.900 0.023 0.000 1.076 420 Y CA -0.973 57.033 58.100 -0.156 0.000 1.115 420 Y CB 1.371 39.592 38.460 -0.399 0.000 1.235 420 Y HN -0.180 nan 8.280 nan 0.000 0.468 421 A N 0.953 123.987 122.820 0.357 0.000 2.274 421 A HA 0.381 4.702 4.320 0.001 0.000 0.297 421 A C -0.202 177.552 177.584 0.283 0.000 1.191 421 A CA -0.870 51.331 52.037 0.273 0.000 0.889 421 A CB 0.173 19.314 19.000 0.236 0.000 1.294 421 A HN 0.786 nan 8.150 nan 0.000 0.506 422 N N 1.152 119.940 118.700 0.147 0.000 3.303 422 N HA 0.197 4.937 4.740 0.001 0.000 0.304 422 N C -0.594 174.946 175.510 0.050 0.000 1.302 422 N CA 0.358 53.454 53.050 0.076 0.000 1.213 422 N CB -0.084 38.398 38.487 -0.009 0.000 1.481 422 N HN 0.439 nan 8.380 nan 0.000 0.546 423 K N -0.804 119.668 120.400 0.120 0.000 2.378 423 K HA 0.503 4.823 4.320 0.001 0.000 0.244 423 K C -0.542 176.055 176.600 -0.006 0.000 1.039 423 K CA -0.959 55.315 56.287 -0.020 0.000 0.863 423 K CB 1.849 34.205 32.500 -0.240 0.000 1.326 423 K HN -0.211 nan 8.250 nan 0.000 0.460 424 V N 2.326 122.184 119.914 -0.094 0.000 2.408 424 V HA 0.196 4.316 4.120 0.001 0.000 0.267 424 V C -0.958 175.106 176.094 -0.051 0.000 1.047 424 V CA -0.376 61.880 62.300 -0.074 0.000 0.937 424 V CB -0.637 30.958 31.823 -0.380 0.000 0.999 424 V HN 0.500 nan 8.190 nan 0.000 0.472 425 Y N 2.813 123.251 120.300 0.230 0.000 2.360 425 Y HA 0.539 5.090 4.550 0.001 0.000 0.337 425 Y C 0.377 176.481 175.900 0.341 0.000 1.039 425 Y CA -0.955 57.361 58.100 0.361 0.000 1.109 425 Y CB 1.654 40.441 38.460 0.545 0.000 1.201 425 Y HN 0.378 nan 8.280 nan 0.000 0.458 426 V N 4.213 124.349 119.914 0.371 0.000 2.775 426 V HA -0.011 4.110 4.120 0.001 0.000 0.299 426 V C 0.181 176.293 176.094 0.031 0.000 1.062 426 V CA -0.766 61.652 62.300 0.197 0.000 1.063 426 V CB 0.971 32.897 31.823 0.171 0.000 0.994 426 V HN 0.566 nan 8.190 nan 0.000 0.483 427 L N 7.403 128.500 121.223 -0.209 0.000 2.615 427 L HA 0.153 4.493 4.340 0.001 0.000 0.284 427 L C -2.060 174.685 176.870 -0.209 0.000 1.237 427 L CA -0.242 54.306 54.840 -0.488 0.000 0.905 427 L CB -0.070 41.770 42.059 -0.366 0.000 1.149 427 L HN 0.494 nan 8.230 nan 0.000 0.499 428 P HA -0.015 nan 4.420 nan 0.000 0.266 428 P C 0.042 177.327 177.300 -0.025 0.000 1.195 428 P CA -0.041 63.069 63.100 0.016 0.000 0.768 428 P CB 0.479 32.251 31.700 0.121 0.000 0.838 429 K N 2.741 123.194 120.400 0.089 0.000 2.152 429 K HA -0.230 4.091 4.320 0.001 0.000 0.206 429 K C 1.798 178.435 176.600 0.062 0.000 1.048 429 K CA 1.350 57.688 56.287 0.086 0.000 0.933 429 K CB -0.228 32.349 32.500 0.129 0.000 0.721 429 K HN 0.635 nan 8.250 nan 0.000 0.447 430 H N -0.147 118.922 119.070 -0.002 0.000 2.495 430 H HA -0.045 4.512 4.556 0.001 0.000 0.287 430 H C 1.787 177.119 175.328 0.007 0.000 1.033 430 H CA 0.871 56.905 56.048 -0.023 0.000 1.307 430 H CB -0.192 29.544 29.762 -0.044 0.000 1.401 430 H HN 0.243 nan 8.280 nan 0.000 0.555 431 L N 0.366 121.289 121.223 -0.500 0.000 2.162 431 L HA -0.057 4.283 4.340 0.001 0.000 0.205 431 L C 2.446 179.230 176.870 -0.143 0.000 1.086 431 L CA 0.906 55.538 54.840 -0.347 0.000 0.778 431 L CB -0.256 41.558 42.059 -0.409 0.000 0.928 431 L HN 0.159 nan 8.230 nan 0.000 0.446 432 D N 0.787 121.117 120.400 -0.116 0.000 2.123 432 D HA -0.217 4.424 4.640 0.001 0.000 0.196 432 D C 1.981 178.281 176.300 0.001 0.000 0.992 432 D CA 1.434 55.403 54.000 -0.051 0.000 0.833 432 D CB 0.189 40.968 40.800 -0.035 0.000 0.954 432 D HN 0.314 nan 8.370 nan 0.000 0.455 433 E N -0.040 120.182 120.200 0.036 0.000 2.110 433 E HA -0.176 4.174 4.350 0.001 0.000 0.193 433 E C 2.048 178.706 176.600 0.097 0.000 0.988 433 E CA 0.740 57.202 56.400 0.103 0.000 0.804 433 E CB 0.008 29.802 29.700 0.157 0.000 0.745 433 E HN 0.217 nan 8.360 nan 0.000 0.458 434 K N 0.841 121.276 120.400 0.058 0.000 2.097 434 K HA -0.115 4.206 4.320 0.001 0.000 0.205 434 K C 2.010 178.650 176.600 0.067 0.000 1.050 434 K CA 0.738 57.065 56.287 0.066 0.000 0.938 434 K CB 0.132 32.662 32.500 0.049 0.000 0.718 434 K HN -0.061 nan 8.250 nan 0.000 0.442 435 V N 1.380 121.324 119.914 0.050 0.000 2.255 435 V HA -0.289 3.832 4.120 0.001 0.000 0.247 435 V C 2.438 178.621 176.094 0.149 0.000 1.051 435 V CA 2.091 64.436 62.300 0.076 0.000 1.018 435 V CB -0.856 30.978 31.823 0.018 0.000 0.641 435 V HN 0.512 nan 8.190 nan 0.000 0.445 436 A N -0.051 122.828 122.820 0.098 0.000 1.883 436 A HA -0.305 4.016 4.320 0.001 0.000 0.217 436 A C 2.424 180.099 177.584 0.151 0.000 1.186 436 A CA 2.342 54.451 52.037 0.120 0.000 0.624 436 A CB -0.661 18.409 19.000 0.117 0.000 0.822 436 A HN 0.491 nan 8.150 nan 0.000 0.444 437 R N -0.415 120.160 120.500 0.124 0.000 2.091 437 R HA -0.059 4.281 4.340 0.001 0.000 0.238 437 R C 1.806 178.147 176.300 0.069 0.000 1.136 437 R CA 1.498 57.660 56.100 0.104 0.000 0.959 437 R CB -0.408 29.953 30.300 0.102 0.000 0.856 437 R HN 0.529 nan 8.270 nan 0.000 0.437 438 L N -0.378 120.868 121.223 0.037 0.000 2.456 438 L HA -0.124 4.217 4.340 0.001 0.000 0.224 438 L C 1.175 177.910 176.870 -0.226 0.000 1.148 438 L CA 0.982 55.771 54.840 -0.084 0.000 0.825 438 L CB -0.179 41.802 42.059 -0.129 0.000 0.937 438 L HN 0.310 nan 8.230 nan 0.000 0.450 439 H N -1.827 117.225 119.070 -0.029 0.000 2.586 439 H HA 0.138 4.695 4.556 0.001 0.000 0.273 439 H C 1.898 177.294 175.328 0.113 0.000 0.997 439 H CA 0.051 56.091 56.048 -0.014 0.000 1.177 439 H CB 0.450 30.113 29.762 -0.166 0.000 1.471 439 H HN 0.157 nan 8.280 nan 0.000 0.538 440 L N -0.399 120.917 121.223 0.155 0.000 2.131 440 L HA 0.003 4.343 4.340 0.001 0.000 0.206 440 L C 2.515 179.439 176.870 0.090 0.000 1.087 440 L CA 0.920 55.837 54.840 0.129 0.000 0.767 440 L CB -0.313 41.802 42.059 0.094 0.000 0.917 440 L HN 0.328 nan 8.230 nan 0.000 0.441 441 A N 0.449 123.305 122.820 0.061 0.000 1.933 441 A HA -0.244 4.077 4.320 0.001 0.000 0.218 441 A C 2.327 179.941 177.584 0.049 0.000 1.175 441 A CA 1.721 53.782 52.037 0.040 0.000 0.628 441 A CB -0.446 18.565 19.000 0.018 0.000 0.814 441 A HN 0.296 nan 8.150 nan 0.000 0.444 442 R N 1.196 121.743 120.500 0.078 0.000 2.091 442 R HA -0.099 4.241 4.340 0.001 0.000 0.238 442 R C 1.652 177.991 176.300 0.064 0.000 1.136 442 R CA 2.207 58.362 56.100 0.093 0.000 0.959 442 R CB -0.743 29.671 30.300 0.190 0.000 0.856 442 R HN 0.688 nan 8.270 nan 0.000 0.437 443 I N -3.194 117.420 120.570 0.073 0.000 3.812 443 I HA 0.408 4.579 4.170 0.001 0.000 0.320 443 I C 0.766 176.889 176.117 0.009 0.000 1.276 443 I CA 0.492 61.797 61.300 0.009 0.000 1.164 443 I CB -0.154 37.833 38.000 -0.021 0.000 1.009 443 I HN 0.306 nan 8.210 nan 0.000 0.431 444 G N 2.006 110.821 108.800 0.024 0.000 2.160 444 G HA2 -0.249 3.712 3.960 0.001 0.000 0.251 444 G HA3 -0.249 3.712 3.960 0.001 0.000 0.251 444 G C 0.356 175.268 174.900 0.019 0.000 1.008 444 G CA 0.133 45.242 45.100 0.016 0.000 0.724 444 G HN 0.921 nan 8.290 nan 0.000 0.514 445 A N 0.094 122.933 122.820 0.032 0.000 2.354 445 A HA 0.634 4.954 4.320 0.001 0.000 0.281 445 A C 0.482 178.084 177.584 0.031 0.000 1.174 445 A CA -0.057 52.000 52.037 0.033 0.000 0.828 445 A CB 0.413 19.443 19.000 0.050 0.000 1.099 445 A HN 0.315 nan 8.150 nan 0.000 0.516 446 Q N 2.019 121.831 119.800 0.020 0.000 2.360 446 Q HA 0.285 4.626 4.340 0.001 0.000 0.254 446 Q C -0.808 175.200 176.000 0.012 0.000 0.975 446 Q CA -0.468 55.344 55.803 0.016 0.000 0.912 446 Q CB 1.371 30.114 28.738 0.009 0.000 1.212 446 Q HN 0.664 nan 8.270 nan 0.000 0.452 447 L N 1.953 123.185 121.223 0.016 0.000 2.380 447 L HA 0.197 4.537 4.340 0.001 0.000 0.273 447 L C -0.070 176.796 176.870 -0.007 0.000 1.138 447 L CA 0.524 55.368 54.840 0.006 0.000 0.832 447 L CB 0.955 43.027 42.059 0.021 0.000 1.124 447 L HN 0.434 nan 8.230 nan 0.000 0.454 448 S N 3.183 118.866 115.700 -0.029 0.000 2.672 448 S HA 0.505 4.976 4.470 0.001 0.000 0.276 448 S C -0.631 173.942 174.600 -0.046 0.000 1.207 448 S CA -0.801 57.378 58.200 -0.035 0.000 1.002 448 S CB 1.067 64.240 63.200 -0.044 0.000 0.998 448 S HN 0.519 nan 8.310 nan 0.000 0.542 449 E N 1.367 121.550 120.200 -0.027 0.000 2.171 449 E HA 0.352 4.703 4.350 0.001 0.000 0.271 449 E C -0.672 175.918 176.600 -0.016 0.000 0.916 449 E CA -0.498 55.895 56.400 -0.011 0.000 0.774 449 E CB 1.587 31.295 29.700 0.013 0.000 1.128 449 E HN 0.442 nan 8.360 nan 0.000 0.403 450 L N 1.977 123.196 121.223 -0.006 0.000 2.456 450 L HA 0.052 4.393 4.340 0.001 0.000 0.272 450 L C 1.170 178.053 176.870 0.022 0.000 1.189 450 L CA 0.028 54.872 54.840 0.008 0.000 0.846 450 L CB 0.323 42.409 42.059 0.044 0.000 1.111 450 L HN 0.540 nan 8.230 nan 0.000 0.475 451 S N 0.411 116.118 115.700 0.011 0.000 2.655 451 S HA 0.121 4.591 4.470 0.001 0.000 0.265 451 S C 0.623 175.240 174.600 0.029 0.000 1.240 451 S CA -0.772 57.436 58.200 0.014 0.000 0.986 451 S CB 1.082 64.282 63.200 -0.001 0.000 0.985 451 S HN 0.601 nan 8.310 nan 0.000 0.562 452 D N 0.769 121.185 120.400 0.028 0.000 2.117 452 D HA -0.089 4.552 4.640 0.001 0.000 0.197 452 D C 1.312 177.638 176.300 0.045 0.000 0.987 452 D CA 1.350 55.372 54.000 0.037 0.000 0.829 452 D CB -0.442 40.375 40.800 0.029 0.000 0.961 452 D HN 0.591 nan 8.370 nan 0.000 0.460 453 D N 0.530 120.950 120.400 0.034 0.000 2.117 453 D HA -0.109 4.531 4.640 0.001 0.000 0.197 453 D C 2.140 178.481 176.300 0.068 0.000 0.987 453 D CA 0.746 54.773 54.000 0.044 0.000 0.829 453 D CB -0.184 40.623 40.800 0.011 0.000 0.961 453 D HN 0.332 nan 8.370 nan 0.000 0.460 454 Q N 0.148 119.968 119.800 0.034 0.000 2.079 454 Q HA -0.019 4.321 4.340 0.001 0.000 0.200 454 Q C 2.213 178.281 176.000 0.113 0.000 0.974 454 Q CA 1.231 57.060 55.803 0.043 0.000 0.840 454 Q CB -0.064 28.671 28.738 -0.006 0.000 0.898 454 Q HN 0.204 nan 8.270 nan 0.000 0.430 455 A N 1.160 124.037 122.820 0.095 0.000 1.877 455 A HA -0.160 4.161 4.320 0.001 0.000 0.216 455 A C 2.286 179.936 177.584 0.110 0.000 1.186 455 A CA 1.704 53.807 52.037 0.110 0.000 0.620 455 A CB -0.823 18.238 19.000 0.100 0.000 0.822 455 A HN 0.403 nan 8.150 nan 0.000 0.443 456 A N -1.838 121.045 122.820 0.104 0.000 1.930 456 A HA -0.098 4.223 4.320 0.001 0.000 0.217 456 A C 2.131 179.784 177.584 0.116 0.000 1.175 456 A CA 1.574 53.666 52.037 0.092 0.000 0.627 456 A CB -0.788 18.260 19.000 0.080 0.000 0.815 456 A HN 0.701 nan 8.150 nan 0.000 0.443 457 Y N 1.061 121.372 120.300 0.019 0.000 2.224 457 Y HA -0.153 4.398 4.550 0.001 0.000 0.289 457 Y C 1.841 177.752 175.900 0.017 0.000 1.146 457 Y CA 1.983 60.092 58.100 0.016 0.000 1.182 457 Y CB -0.049 38.419 38.460 0.012 0.000 0.983 457 Y HN 0.441 nan 8.280 nan 0.000 0.524 458 I N -3.662 117.002 120.570 0.157 0.000 3.956 458 I HA 0.463 4.633 4.170 0.001 0.000 0.333 458 I C 1.250 177.391 176.117 0.040 0.000 1.302 458 I CA 0.576 61.920 61.300 0.074 0.000 1.122 458 I CB -0.005 38.065 38.000 0.117 0.000 1.013 458 I HN 0.169 nan 8.210 nan 0.000 0.405 459 G N 2.438 111.265 108.800 0.045 0.000 2.204 459 G HA2 -0.149 3.812 3.960 0.001 0.000 0.244 459 G HA3 -0.149 3.812 3.960 0.001 0.000 0.244 459 G C -0.062 174.862 174.900 0.041 0.000 1.062 459 G CA 0.168 45.286 45.100 0.030 0.000 0.798 459 G HN 0.913 nan 8.290 nan 0.000 0.496 460 V N -3.355 116.599 119.914 0.067 0.000 3.130 460 V HA 0.941 5.062 4.120 0.001 0.000 0.310 460 V C 0.438 176.571 176.094 0.066 0.000 1.158 460 V CA -0.287 62.054 62.300 0.068 0.000 1.029 460 V CB 1.652 33.560 31.823 0.142 0.000 1.057 460 V HN 1.304 nan 8.190 nan 0.000 0.436 461 S N 0.496 116.209 115.700 0.022 0.000 2.565 461 S HA 0.334 4.805 4.470 0.001 0.000 0.274 461 S C 0.942 175.595 174.600 0.087 0.000 1.309 461 S CA -0.253 57.959 58.200 0.020 0.000 1.043 461 S CB 0.927 64.101 63.200 -0.042 0.000 0.939 461 S HN 0.841 nan 8.310 nan 0.000 0.504 462 K N 2.707 123.175 120.400 0.114 0.000 2.286 462 K HA -0.128 4.192 4.320 0.001 0.000 0.203 462 K C 1.655 178.394 176.600 0.233 0.000 1.045 462 K CA 1.440 57.840 56.287 0.187 0.000 0.935 462 K CB -0.253 32.313 32.500 0.111 0.000 0.737 462 K HN 0.677 nan 8.250 nan 0.000 0.460 463 A N 0.822 123.684 122.820 0.070 0.000 2.308 463 A HA 0.303 4.624 4.320 0.001 0.000 0.217 463 A C 0.809 178.252 177.584 -0.234 0.000 1.216 463 A CA 0.628 52.672 52.037 0.012 0.000 0.864 463 A CB -0.000 18.990 19.000 -0.016 0.000 0.902 463 A HN 0.362 nan 8.150 nan 0.000 0.499 464 G N -0.092 108.342 108.800 -0.609 0.000 2.760 464 G HA2 -0.079 3.882 3.960 0.001 0.000 0.246 464 G HA3 -0.079 3.882 3.960 0.001 0.000 0.246 464 G C -2.762 171.853 174.900 -0.475 0.000 1.359 464 G CA -0.439 43.949 45.100 -1.187 0.000 0.861 464 G HN 0.379 nan 8.290 nan 0.000 0.541 465 P HA 0.465 nan 4.420 nan 0.000 0.272 465 P C 0.113 177.156 177.300 -0.427 0.000 1.230 465 P CA -0.115 62.746 63.100 -0.398 0.000 0.788 465 P CB 0.355 31.999 31.700 -0.093 0.000 0.949 466 F N -0.667 119.296 119.950 0.021 0.000 2.717 466 F HA 0.232 4.759 4.527 0.001 0.000 0.295 466 F C 1.207 176.936 175.800 -0.118 0.000 1.117 466 F CA 0.654 58.636 58.000 -0.030 0.000 1.361 466 F CB 0.083 39.073 39.000 -0.017 0.000 1.112 466 F HN 0.021 nan 8.300 nan 0.000 0.594 467 K N 0.834 121.237 120.400 0.005 0.000 2.385 467 K HA 0.437 4.757 4.320 0.001 0.000 0.248 467 K C -2.703 173.831 176.600 -0.111 0.000 0.955 467 K CA -2.150 54.016 56.287 -0.201 0.000 0.816 467 K CB 1.285 33.528 32.500 -0.428 0.000 1.250 467 K HN -0.230 nan 8.250 nan 0.000 0.434 468 P HA 0.143 nan 4.420 nan 0.000 0.274 468 P C 0.040 177.264 177.300 -0.126 0.000 1.246 468 P CA -0.166 62.844 63.100 -0.149 0.000 0.795 468 P CB 0.764 32.284 31.700 -0.299 0.000 1.006 469 D N -0.237 120.169 120.400 0.009 0.000 2.218 469 D HA -0.153 4.488 4.640 0.001 0.000 0.204 469 D C 1.482 177.859 176.300 0.128 0.000 0.976 469 D CA 1.582 55.646 54.000 0.107 0.000 0.853 469 D CB -0.391 40.501 40.800 0.154 0.000 0.939 469 D HN 0.668 nan 8.370 nan 0.000 0.481 470 H N -2.266 116.882 119.070 0.130 0.000 2.547 470 H HA 0.056 4.612 4.556 0.001 0.000 0.266 470 H C 0.213 175.608 175.328 0.113 0.000 0.988 470 H CA -0.432 55.681 56.048 0.108 0.000 1.147 470 H CB -0.778 29.028 29.762 0.074 0.000 1.365 470 H HN 0.027 nan 8.280 nan 0.000 0.589 471 Y N 2.440 122.577 120.300 -0.272 0.000 2.526 471 Y HA 0.066 4.617 4.550 0.001 0.000 0.330 471 Y C 1.053 176.866 175.900 -0.145 0.000 1.156 471 Y CA -0.190 57.732 58.100 -0.296 0.000 1.419 471 Y CB 0.595 38.766 38.460 -0.481 0.000 1.250 471 Y HN 0.129 nan 8.280 nan 0.000 0.540 472 R N 3.563 123.701 120.500 -0.604 0.000 2.265 472 R HA 0.065 4.406 4.340 0.001 0.000 0.194 472 R C -0.654 175.580 176.300 -0.109 0.000 0.931 472 R CA 0.136 56.090 56.100 -0.242 0.000 1.032 472 R CB -0.006 30.167 30.300 -0.212 0.000 0.980 472 R HN 0.836 nan 8.270 nan 0.000 0.497 473 Y N 0.000 120.000 120.300 -0.501 0.000 2.660 473 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 473 Y CA 0.000 58.038 58.100 -0.104 0.000 1.940 473 Y CB 0.000 38.523 38.460 0.106 0.000 1.050 473 Y HN 0.000 nan 8.280 nan 0.000 0.758