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 1np2_1_B DATA FIRST_RESID 5 DATA SEQUENCE AEKFLWGVAT SAYQIEGATQ EDGRGPSIWD TFARRPGAIR DGSTGEPACD DATA SEQUENCE HYHRYEEDIA LMQSLGVGVY RFSVAWPRIL PEGRGRINPK GLAFYDRLVD DATA SEQUENCE RLLAAGITPF LTLYHWDLPQ ALEDRGGWRS RETAFAFAEY AEAVARALAD DATA SEQUENCE RVPFFATLNE PWCSAFLGHW TGEHAPGLRN LEAALRAAHH LLLGHGLAVE DATA SEQUENCE ALRAAGARRV GIVLNFAPAY GEDPEAVDVA DRYHNRYFLD PILGRGYPES DATA SEQUENCE PFQDPPPAPI LSRDLEAIAR PLDFLGVNYY APVRVAPGTG PLPVRYLPPE DATA SEQUENCE GPVTAMGWEV YPEGLYHLLK RLGREVPWPL YITENGAAYP DLWTGEAVVE DATA SEQUENCE DPERVAYLEA HVEAALRARE EGVDLRGYFV WSLMDNFEWA FGYTRRFGLY DATA SEQUENCE YVDFPSQRRI PKRSALWYRE RIARAQ 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.632 177.584 0.079 0.000 1.274 5 A CA 0.000 52.078 52.037 0.068 0.000 0.836 5 A CB 0.000 19.039 19.000 0.065 0.000 0.831 6 E N 1.215 121.472 120.200 0.094 0.000 2.410 6 E HA 0.271 4.621 4.350 0.001 0.000 0.255 6 E C 0.088 176.758 176.600 0.117 0.000 1.194 6 E CA -0.303 56.161 56.400 0.106 0.000 0.955 6 E CB 0.653 30.431 29.700 0.131 0.000 0.988 6 E HN 0.525 nan 8.360 nan 0.000 0.461 7 K N 1.565 122.037 120.400 0.119 0.000 2.297 7 K HA 0.078 4.399 4.320 0.001 0.000 0.286 7 K C -0.647 176.040 176.600 0.144 0.000 1.053 7 K CA -0.391 55.978 56.287 0.138 0.000 0.940 7 K CB 0.300 32.875 32.500 0.125 0.000 1.019 7 K HN 0.349 nan 8.250 nan 0.000 0.475 8 F N 4.710 124.657 119.950 -0.006 0.000 2.642 8 F HA -0.041 4.487 4.527 0.001 0.000 0.371 8 F C -0.395 175.291 175.800 -0.190 0.000 1.120 8 F CA 0.478 58.403 58.000 -0.125 0.000 1.331 8 F CB 0.364 39.239 39.000 -0.208 0.000 1.044 8 F HN 0.355 nan 8.300 nan 0.000 0.594 9 L N 6.319 127.056 121.223 -0.809 0.000 2.280 9 L HA 0.234 4.574 4.340 0.001 0.000 0.287 9 L C -1.244 175.150 176.870 -0.794 0.000 1.023 9 L CA -0.628 53.856 54.840 -0.593 0.000 0.819 9 L CB 0.843 42.633 42.059 -0.450 0.000 1.212 9 L HN 0.631 nan 8.230 nan 0.000 0.420 10 W N 2.977 124.156 121.300 -0.202 0.000 2.349 10 W HA 0.666 5.327 4.660 0.001 0.000 0.309 10 W C 0.576 176.957 176.519 -0.229 0.000 1.083 10 W CA -0.273 57.014 57.345 -0.097 0.000 1.224 10 W CB 1.842 31.268 29.460 -0.057 0.000 1.256 10 W HN 0.506 nan 8.180 nan 0.000 0.461 11 G N 0.833 109.564 108.800 -0.114 0.000 2.921 11 G HA2 0.756 4.717 3.960 0.001 0.000 0.291 11 G HA3 0.756 4.717 3.960 0.001 0.000 0.291 11 G C -1.388 173.612 174.900 0.166 0.000 1.370 11 G CA -0.860 44.131 45.100 -0.182 0.000 0.847 11 G HN 0.693 nan 8.290 nan 0.000 0.532 12 V N -3.495 116.566 119.914 0.245 0.000 3.007 12 V HA 0.972 5.092 4.120 0.001 0.000 0.311 12 V C -0.190 176.083 176.094 0.297 0.000 1.120 12 V CA -0.679 61.782 62.300 0.268 0.000 0.980 12 V CB 1.220 33.193 31.823 0.250 0.000 1.033 12 V HN 1.913 nan 8.190 nan 0.000 0.429 13 A N 2.078 124.979 122.820 0.134 0.000 2.413 13 A HA 1.060 5.381 4.320 0.001 0.000 0.307 13 A C -0.077 177.374 177.584 -0.222 0.000 1.087 13 A CA -0.014 52.065 52.037 0.070 0.000 0.750 13 A CB 2.041 21.166 19.000 0.208 0.000 1.296 13 A HN 2.026 nan 8.150 nan 0.000 0.423 14 T N -1.821 112.678 114.554 -0.092 0.000 2.654 14 T HA 0.859 5.210 4.350 0.001 0.000 0.289 14 T C -0.342 174.366 174.700 0.013 0.000 1.062 14 T CA -0.002 62.007 62.100 -0.151 0.000 1.041 14 T CB 1.184 69.990 68.868 -0.103 0.000 1.417 14 T HN 2.106 nan 8.240 nan 0.000 0.510 15 S N -0.814 114.840 115.700 -0.076 0.000 2.536 15 S HA 0.707 5.178 4.470 0.001 0.000 0.271 15 S C 1.281 175.844 174.600 -0.061 0.000 1.134 15 S CA -0.260 57.771 58.200 -0.283 0.000 0.897 15 S CB 1.286 63.864 63.200 -1.038 0.000 1.094 15 S HN 1.529 nan 8.310 nan 0.000 0.473 16 A N 2.083 124.961 122.820 0.096 0.000 1.870 16 A HA -0.153 4.167 4.320 0.001 0.000 0.219 16 A C 1.792 179.475 177.584 0.166 0.000 1.224 16 A CA 2.326 54.507 52.037 0.240 0.000 0.650 16 A CB -1.743 17.482 19.000 0.375 0.000 0.836 16 A HN 1.292 nan 8.150 nan 0.000 0.454 17 Y N 0.691 121.024 120.300 0.054 0.000 2.421 17 Y HA -0.153 4.397 4.550 0.001 0.000 0.292 17 Y C 2.453 178.257 175.900 -0.159 0.000 1.136 17 Y CA 2.001 60.095 58.100 -0.011 0.000 1.255 17 Y CB -0.203 38.300 38.460 0.073 0.000 0.991 17 Y HN 0.498 nan 8.280 nan 0.000 0.552 18 Q N -0.520 119.142 119.800 -0.230 0.000 2.311 18 Q HA 0.007 4.348 4.340 0.001 0.000 0.203 18 Q C 1.785 177.692 176.000 -0.155 0.000 0.954 18 Q CA 1.569 57.182 55.803 -0.317 0.000 0.885 18 Q CB 0.193 28.702 28.738 -0.382 0.000 0.963 18 Q HN 0.757 nan 8.270 nan 0.000 0.471 19 I N -4.719 115.795 120.570 -0.095 0.000 4.624 19 I HA 0.180 4.350 4.170 0.001 0.000 0.327 19 I C 1.473 177.634 176.117 0.073 0.000 1.295 19 I CA -0.044 61.255 61.300 -0.002 0.000 1.267 19 I CB 0.198 38.168 38.000 -0.049 0.000 1.249 19 I HN -0.125 nan 8.210 nan 0.000 0.440 20 E N 2.511 122.749 120.200 0.064 0.000 2.051 20 E HA 0.093 4.443 4.350 0.001 0.000 0.192 20 E C 1.462 178.070 176.600 0.014 0.000 0.991 20 E CA 1.378 57.849 56.400 0.117 0.000 0.799 20 E CB -0.255 29.505 29.700 0.100 0.000 0.748 20 E HN 0.683 nan 8.360 nan 0.000 0.449 21 G N 0.066 108.807 108.800 -0.098 0.000 2.598 21 G HA2 -0.225 3.736 3.960 0.001 0.000 0.244 21 G HA3 -0.225 3.736 3.960 0.001 0.000 0.244 21 G C 0.410 175.224 174.900 -0.143 0.000 1.302 21 G CA 0.088 45.130 45.100 -0.097 0.000 0.903 21 G HN 1.039 nan 8.290 nan 0.000 0.575 22 A N -2.295 120.461 122.820 -0.108 0.000 2.783 22 A HA 0.027 4.348 4.320 0.001 0.000 0.292 22 A C 2.434 179.874 177.584 -0.240 0.000 1.495 22 A CA 2.874 54.786 52.037 -0.209 0.000 0.787 22 A CB -2.365 16.313 19.000 -0.537 0.000 1.017 22 A HN 2.873 nan 8.150 nan 0.000 0.516 23 T N -2.983 111.501 114.554 -0.117 0.000 2.803 23 T HA -0.165 4.185 4.350 0.001 0.000 0.269 23 T C 1.063 175.739 174.700 -0.040 0.000 1.052 23 T CA 1.863 63.936 62.100 -0.044 0.000 1.136 23 T CB -0.277 68.612 68.868 0.035 0.000 0.864 23 T HN 0.819 nan 8.240 nan 0.000 0.467 24 Q N 0.459 120.229 119.800 -0.049 0.000 2.155 24 Q HA 0.403 4.743 4.340 0.001 0.000 0.273 24 Q C -0.407 175.564 176.000 -0.048 0.000 0.857 24 Q CA -0.217 55.567 55.803 -0.033 0.000 1.116 24 Q CB 0.934 29.669 28.738 -0.004 0.000 1.209 24 Q HN 0.623 nan 8.270 nan 0.000 0.460 25 E N 1.077 121.210 120.200 -0.112 0.000 2.207 25 E HA 0.128 4.478 4.350 0.001 0.000 0.270 25 E C -0.837 175.686 176.600 -0.128 0.000 0.927 25 E CA -0.507 55.833 56.400 -0.100 0.000 0.799 25 E CB 0.781 30.415 29.700 -0.109 0.000 1.172 25 E HN 0.071 nan 8.360 nan 0.000 0.404 26 D N 2.624 123.011 120.400 -0.021 0.000 2.689 26 D HA -0.194 4.447 4.640 0.001 0.000 0.237 26 D C 0.606 176.914 176.300 0.014 0.000 1.148 26 D CA 1.590 55.604 54.000 0.024 0.000 0.656 26 D CB -1.415 39.434 40.800 0.081 0.000 1.050 26 D HN 0.896 nan 8.370 nan 0.000 0.426 27 G N -0.111 108.696 108.800 0.011 0.000 2.184 27 G HA2 -0.428 3.533 3.960 0.001 0.000 0.264 27 G HA3 -0.428 3.533 3.960 0.001 0.000 0.264 27 G C 0.451 175.361 174.900 0.017 0.000 0.975 27 G CA 0.553 45.667 45.100 0.023 0.000 0.642 27 G HN 0.711 nan 8.290 nan 0.000 0.536 28 R N 0.915 121.404 120.500 -0.018 0.000 2.522 28 R HA 0.440 4.780 4.340 0.001 0.000 0.284 28 R C 1.053 177.358 176.300 0.008 0.000 1.032 28 R CA 0.567 56.663 56.100 -0.006 0.000 1.049 28 R CB -0.020 30.242 30.300 -0.063 0.000 0.956 28 R HN 0.344 nan 8.270 nan 0.000 0.422 29 G N 4.178 112.991 108.800 0.022 0.000 2.502 29 G HA2 0.406 4.367 3.960 0.001 0.000 0.305 29 G HA3 0.406 4.367 3.960 0.001 0.000 0.305 29 G C -2.427 172.478 174.900 0.007 0.000 1.190 29 G CA -1.328 43.775 45.100 0.005 0.000 0.933 29 G HN 0.575 nan 8.290 nan 0.000 0.503 30 P HA 0.223 nan 4.420 nan 0.000 0.278 30 P C -0.127 177.161 177.300 -0.019 0.000 1.238 30 P CA -0.193 62.910 63.100 0.005 0.000 0.794 30 P CB 1.659 33.359 31.700 0.001 0.000 0.955 31 S N 1.545 117.246 115.700 0.002 0.000 2.747 31 S HA 0.370 4.841 4.470 0.001 0.000 0.300 31 S C 1.551 176.142 174.600 -0.014 0.000 1.121 31 S CA -0.833 57.362 58.200 -0.007 0.000 0.995 31 S CB 0.464 63.690 63.200 0.042 0.000 1.113 31 S HN 0.484 nan 8.310 nan 0.000 0.547 32 I N -2.950 117.612 120.570 -0.012 0.000 2.700 32 I HA 0.071 4.241 4.170 0.001 0.000 0.261 32 I C 1.345 177.380 176.117 -0.138 0.000 1.219 32 I CA 0.821 62.067 61.300 -0.089 0.000 1.463 32 I CB -0.427 37.483 38.000 -0.149 0.000 1.092 32 I HN 0.595 nan 8.210 nan 0.000 0.452 33 W N 2.074 123.311 121.300 -0.104 0.000 2.640 33 W HA 0.040 4.701 4.660 0.001 0.000 0.268 33 W C 1.845 178.341 176.519 -0.039 0.000 1.263 33 W CA 0.768 58.072 57.345 -0.068 0.000 1.344 33 W CB -0.165 29.103 29.460 -0.320 0.000 1.093 33 W HN 0.145 nan 8.180 nan 0.000 0.603 34 D N -1.030 119.410 120.400 0.065 0.000 2.144 34 D HA -0.151 4.489 4.640 0.001 0.000 0.200 34 D C 2.058 178.421 176.300 0.106 0.000 0.978 34 D CA 1.829 55.906 54.000 0.129 0.000 0.833 34 D CB -0.400 40.462 40.800 0.103 0.000 0.961 34 D HN -0.053 nan 8.370 nan 0.000 0.470 35 T N -0.201 114.391 114.554 0.064 0.000 2.812 35 T HA -0.079 4.271 4.350 0.001 0.000 0.264 35 T C 1.504 176.240 174.700 0.060 0.000 1.042 35 T CA 0.383 62.507 62.100 0.039 0.000 1.140 35 T CB -0.304 68.566 68.868 0.004 0.000 0.870 35 T HN 0.098 nan 8.240 nan 0.000 0.445 36 F N 2.354 122.236 119.950 -0.113 0.000 2.146 36 F HA 0.126 4.653 4.527 0.001 0.000 0.298 36 F C 2.294 178.091 175.800 -0.005 0.000 1.096 36 F CA 0.785 58.692 58.000 -0.155 0.000 1.275 36 F CB -0.530 38.210 39.000 -0.433 0.000 1.008 36 F HN 0.125 nan 8.300 nan 0.000 0.480 37 A N -0.038 122.848 122.820 0.110 0.000 2.239 37 A HA -0.017 4.303 4.320 0.001 0.000 0.209 37 A C 2.058 179.659 177.584 0.028 0.000 1.171 37 A CA 0.550 52.659 52.037 0.120 0.000 0.768 37 A CB -0.701 18.512 19.000 0.355 0.000 0.790 37 A HN 0.441 nan 8.150 nan 0.000 0.478 38 R N -0.531 119.958 120.500 -0.017 0.000 2.334 38 R HA 0.124 4.464 4.340 0.001 0.000 0.216 38 R C -0.142 176.118 176.300 -0.066 0.000 0.905 38 R CA -0.078 56.012 56.100 -0.017 0.000 1.064 38 R CB 0.288 30.591 30.300 0.004 0.000 1.046 38 R HN 0.379 nan 8.270 nan 0.000 0.508 39 R N 1.712 122.123 120.500 -0.148 0.000 2.254 39 R HA 0.229 4.570 4.340 0.001 0.000 0.318 39 R C -2.454 173.749 176.300 -0.161 0.000 1.031 39 R CA -1.941 54.058 56.100 -0.168 0.000 0.905 39 R CB 0.578 30.728 30.300 -0.250 0.000 1.050 39 R HN -0.170 nan 8.270 nan 0.000 0.456 40 P HA -0.037 nan 4.420 nan 0.000 0.263 40 P C 0.696 177.937 177.300 -0.098 0.000 1.195 40 P CA 1.012 64.066 63.100 -0.077 0.000 0.762 40 P CB 0.721 32.391 31.700 -0.050 0.000 0.799 41 G N 3.115 111.862 108.800 -0.088 0.000 2.241 41 G HA2 -0.357 3.604 3.960 0.001 0.000 0.244 41 G HA3 -0.357 3.604 3.960 0.001 0.000 0.244 41 G C 1.253 176.076 174.900 -0.129 0.000 0.998 41 G CA 0.477 45.525 45.100 -0.088 0.000 0.621 41 G HN 0.650 nan 8.290 nan 0.000 0.519 42 A N -0.094 122.576 122.820 -0.251 0.000 1.908 42 A HA 0.336 4.656 4.320 0.001 0.000 0.218 42 A C 1.166 178.662 177.584 -0.147 0.000 1.181 42 A CA 1.764 53.539 52.037 -0.437 0.000 0.627 42 A CB -0.192 18.070 19.000 -1.231 0.000 0.818 42 A HN 0.802 nan 8.150 nan 0.000 0.445 43 I N -0.828 119.703 120.570 -0.065 0.000 2.362 43 I HA 0.322 4.493 4.170 0.001 0.000 0.289 43 I C 1.027 177.144 176.117 0.000 0.000 0.994 43 I CA -0.522 60.813 61.300 0.058 0.000 1.158 43 I CB 1.016 39.128 38.000 0.186 0.000 1.315 43 I HN 0.263 nan 8.210 nan 0.000 0.451 44 R N 2.791 123.262 120.500 -0.048 0.000 2.119 44 R HA -0.213 4.127 4.340 0.001 0.000 0.246 44 R C 0.586 176.888 176.300 0.004 0.000 1.146 44 R CA 2.225 58.293 56.100 -0.052 0.000 0.962 44 R CB -0.017 30.221 30.300 -0.102 0.000 0.863 44 R HN 0.753 nan 8.270 nan 0.000 0.442 45 D N -1.801 118.620 120.400 0.036 0.000 2.368 45 D HA 0.106 4.747 4.640 0.001 0.000 0.218 45 D C 0.859 177.211 176.300 0.088 0.000 1.112 45 D CA 0.474 54.517 54.000 0.071 0.000 0.834 45 D CB 0.384 41.248 40.800 0.107 0.000 0.953 45 D HN 0.248 nan 8.370 nan 0.000 0.505 46 G N 0.377 109.223 108.800 0.078 0.000 2.179 46 G HA2 -0.283 3.677 3.960 0.001 0.000 0.257 46 G HA3 -0.283 3.677 3.960 0.001 0.000 0.257 46 G C 0.394 175.374 174.900 0.134 0.000 1.010 46 G CA 0.703 45.853 45.100 0.082 0.000 0.736 46 G HN 0.831 nan 8.290 nan 0.000 0.513 47 S N -1.045 114.780 115.700 0.208 0.000 2.745 47 S HA 0.916 5.387 4.470 0.001 0.000 0.292 47 S C 0.308 175.137 174.600 0.382 0.000 1.133 47 S CA 0.713 59.093 58.200 0.301 0.000 0.998 47 S CB 2.603 66.073 63.200 0.450 0.000 1.087 47 S HN 1.667 nan 8.310 nan 0.000 0.551 48 T N -3.683 111.035 114.554 0.273 0.000 2.626 48 T HA 0.649 5.000 4.350 0.001 0.000 0.279 48 T C 0.879 175.223 174.700 -0.592 0.000 0.983 48 T CA -0.281 61.800 62.100 -0.031 0.000 1.059 48 T CB 0.717 69.613 68.868 0.046 0.000 1.396 48 T HN 0.949 nan 8.240 nan 0.000 0.519 49 G N -0.385 107.911 108.800 -0.840 0.000 3.181 49 G HA2 0.323 4.283 3.960 0.001 0.000 0.219 49 G HA3 0.323 4.283 3.960 0.001 0.000 0.219 49 G C 0.083 174.676 174.900 -0.510 0.000 1.182 49 G CA -0.005 44.391 45.100 -1.173 0.000 0.791 49 G HN 0.754 nan 8.290 nan 0.000 0.537 50 E N 1.068 121.133 120.200 -0.225 0.000 2.155 50 E HA 0.413 4.764 4.350 0.001 0.000 0.264 50 E C -1.616 174.963 176.600 -0.035 0.000 0.886 50 E CA -2.162 54.181 56.400 -0.096 0.000 0.752 50 E CB 2.124 31.799 29.700 -0.042 0.000 1.133 50 E HN 0.023 nan 8.360 nan 0.000 0.414 51 P HA 0.247 nan 4.420 nan 0.000 0.261 51 P C 0.287 177.588 177.300 0.000 0.000 1.268 51 P CA 0.742 63.837 63.100 -0.008 0.000 0.833 51 P CB 0.387 32.106 31.700 0.033 0.000 1.231 52 A N 0.780 123.600 122.820 0.001 0.000 5.295 52 A HA -0.304 4.017 4.320 0.001 0.000 0.313 52 A C 1.523 179.214 177.584 0.180 0.000 1.912 52 A CA 1.623 53.715 52.037 0.093 0.000 0.714 52 A CB -2.234 16.752 19.000 -0.024 0.000 1.319 52 A HN 0.347 nan 8.150 nan 0.000 0.375 53 C N -0.058 119.364 119.300 0.203 0.000 2.754 53 C HA 0.478 4.939 4.460 0.001 0.000 0.276 53 C C 0.981 176.078 174.990 0.179 0.000 1.264 53 C CA 0.965 60.118 59.018 0.225 0.000 1.700 53 C CB -1.077 26.779 27.740 0.195 0.000 1.885 53 C HN 1.105 nan 8.230 nan 0.000 0.607 54 D N 0.439 120.936 120.400 0.162 0.000 2.737 54 D HA -0.280 4.361 4.640 0.001 0.000 0.233 54 D C 0.713 177.137 176.300 0.205 0.000 1.155 54 D CA 1.087 55.196 54.000 0.181 0.000 0.667 54 D CB -1.375 39.535 40.800 0.184 0.000 1.060 54 D HN 0.752 nan 8.370 nan 0.000 0.427 55 H N -1.261 117.879 119.070 0.116 0.000 2.456 55 H HA -0.140 4.417 4.556 0.001 0.000 0.296 55 H C 1.676 177.125 175.328 0.202 0.000 1.079 55 H CA 2.043 58.185 56.048 0.156 0.000 1.322 55 H CB -0.241 29.621 29.762 0.167 0.000 1.388 55 H HN 0.487 nan 8.280 nan 0.000 0.538 56 Y N 0.079 120.303 120.300 -0.126 0.000 2.315 56 Y HA -0.225 4.326 4.550 0.001 0.000 0.288 56 Y C 1.536 177.270 175.900 -0.276 0.000 1.154 56 Y CA 2.273 60.082 58.100 -0.486 0.000 1.229 56 Y CB -0.160 37.858 38.460 -0.738 0.000 0.980 56 Y HN 0.496 nan 8.280 nan 0.000 0.540 57 H N -2.134 116.981 119.070 0.076 0.000 2.557 57 H HA 0.281 4.838 4.556 0.001 0.000 0.281 57 H C 1.364 176.649 175.328 -0.072 0.000 0.990 57 H CA 0.350 56.413 56.048 0.025 0.000 1.278 57 H CB 0.252 30.035 29.762 0.035 0.000 1.451 57 H HN 0.029 nan 8.280 nan 0.000 0.516 58 R N 1.328 121.856 120.500 0.047 0.000 2.426 58 R HA 0.032 4.372 4.340 0.001 0.000 0.263 58 R C 0.678 176.867 176.300 -0.184 0.000 0.961 58 R CA -0.062 55.986 56.100 -0.088 0.000 1.086 58 R CB -0.121 30.176 30.300 -0.005 0.000 1.186 58 R HN 0.505 nan 8.270 nan 0.000 0.537 59 Y N -0.221 119.909 120.300 -0.284 0.000 2.193 59 Y HA -0.205 4.345 4.550 0.001 0.000 0.285 59 Y C 1.889 177.668 175.900 -0.202 0.000 1.166 59 Y CA 1.185 59.053 58.100 -0.387 0.000 1.181 59 Y CB -0.509 37.630 38.460 -0.534 0.000 0.976 59 Y HN -0.040 nan 8.280 nan 0.000 0.520 60 E N 1.058 120.837 120.200 -0.702 0.000 2.058 60 E HA -0.260 4.090 4.350 0.001 0.000 0.194 60 E C 2.253 178.706 176.600 -0.245 0.000 0.997 60 E CA 1.878 58.022 56.400 -0.428 0.000 0.801 60 E CB -0.332 29.067 29.700 -0.501 0.000 0.746 60 E HN 0.807 nan 8.360 nan 0.000 0.450 61 E N -0.208 119.851 120.200 -0.236 0.000 2.150 61 E HA -0.200 4.151 4.350 0.001 0.000 0.193 61 E C 1.122 177.622 176.600 -0.166 0.000 0.985 61 E CA 1.422 57.718 56.400 -0.173 0.000 0.814 61 E CB -0.122 29.488 29.700 -0.150 0.000 0.752 61 E HN 0.195 nan 8.360 nan 0.000 0.466 62 D N 0.811 121.131 120.400 -0.132 0.000 2.269 62 D HA -0.040 4.601 4.640 0.001 0.000 0.208 62 D C 1.981 178.174 176.300 -0.180 0.000 0.963 62 D CA 0.656 54.581 54.000 -0.125 0.000 0.864 62 D CB 0.011 40.836 40.800 0.042 0.000 0.936 62 D HN 0.363 nan 8.370 nan 0.000 0.505 63 I N 0.959 121.432 120.570 -0.161 0.000 2.546 63 I HA -0.171 4.000 4.170 0.001 0.000 0.255 63 I C 2.350 178.375 176.117 -0.152 0.000 1.163 63 I CA 0.417 61.610 61.300 -0.179 0.000 1.457 63 I CB -0.028 37.894 38.000 -0.130 0.000 1.092 63 I HN -0.087 nan 8.210 nan 0.000 0.434 64 A N 1.115 123.845 122.820 -0.150 0.000 1.898 64 A HA -0.122 4.198 4.320 0.001 0.000 0.216 64 A C 2.260 179.755 177.584 -0.149 0.000 1.181 64 A CA 1.116 53.075 52.037 -0.130 0.000 0.620 64 A CB -0.657 18.266 19.000 -0.127 0.000 0.819 64 A HN 0.349 nan 8.150 nan 0.000 0.442 65 L N -1.238 119.840 121.223 -0.241 0.000 2.046 65 L HA -0.233 4.108 4.340 0.001 0.000 0.208 65 L C 2.860 179.642 176.870 -0.147 0.000 1.077 65 L CA 1.589 56.207 54.840 -0.370 0.000 0.747 65 L CB -0.622 41.008 42.059 -0.714 0.000 0.896 65 L HN 0.424 nan 8.230 nan 0.000 0.432 66 M N -0.752 118.767 119.600 -0.135 0.000 2.065 66 M HA -0.275 4.205 4.480 0.001 0.000 0.259 66 M C 2.378 178.668 176.300 -0.017 0.000 1.069 66 M CA 1.902 57.167 55.300 -0.058 0.000 1.110 66 M CB -0.403 32.117 32.600 -0.133 0.000 1.328 66 M HN 0.254 nan 8.290 nan 0.000 0.405 67 Q N -0.627 119.146 119.800 -0.045 0.000 2.170 67 Q HA -0.133 4.208 4.340 0.001 0.000 0.203 67 Q C 2.108 178.101 176.000 -0.013 0.000 0.976 67 Q CA 1.600 57.386 55.803 -0.030 0.000 0.858 67 Q CB -0.098 28.616 28.738 -0.041 0.000 0.907 67 Q HN 0.468 nan 8.270 nan 0.000 0.433 68 S N 0.767 116.472 115.700 0.007 0.000 2.399 68 S HA -0.084 4.386 4.470 0.001 0.000 0.231 68 S C 1.825 176.459 174.600 0.058 0.000 1.022 68 S CA 0.831 59.059 58.200 0.047 0.000 0.983 68 S CB -0.061 63.209 63.200 0.117 0.000 0.803 68 S HN 0.309 nan 8.310 nan 0.000 0.480 69 L N 0.146 121.416 121.223 0.079 0.000 2.209 69 L HA 0.152 4.492 4.340 0.001 0.000 0.207 69 L C 1.859 178.674 176.870 -0.092 0.000 1.094 69 L CA 0.666 55.535 54.840 0.047 0.000 0.790 69 L CB -0.631 41.531 42.059 0.173 0.000 0.932 69 L HN 0.506 nan 8.230 nan 0.000 0.447 70 G N 0.659 109.424 108.800 -0.059 0.000 2.136 70 G HA2 -0.242 3.719 3.960 0.001 0.000 0.242 70 G HA3 -0.242 3.719 3.960 0.001 0.000 0.242 70 G C 0.349 175.200 174.900 -0.081 0.000 0.989 70 G CA 0.140 45.187 45.100 -0.088 0.000 0.682 70 G HN 0.240 nan 8.290 nan 0.000 0.522 71 V N -1.445 118.447 119.914 -0.036 0.000 2.843 71 V HA 0.696 4.816 4.120 0.001 0.000 0.305 71 V C 1.476 177.593 176.094 0.038 0.000 1.065 71 V CA 0.917 63.231 62.300 0.022 0.000 1.116 71 V CB 1.379 33.265 31.823 0.104 0.000 0.968 71 V HN 0.928 nan 8.190 nan 0.000 0.487 72 G N 2.608 111.436 108.800 0.047 0.000 2.719 72 G HA2 0.378 4.338 3.960 0.001 0.000 0.211 72 G HA3 0.378 4.338 3.960 0.001 0.000 0.211 72 G C 0.335 175.239 174.900 0.006 0.000 1.140 72 G CA 0.736 45.855 45.100 0.032 0.000 0.790 72 G HN 1.020 nan 8.290 nan 0.000 0.529 73 V N -1.749 118.130 119.914 -0.058 0.000 3.074 73 V HA 0.689 4.810 4.120 0.001 0.000 0.314 73 V C -1.335 174.842 176.094 0.138 0.000 1.117 73 V CA -1.487 60.793 62.300 -0.033 0.000 1.014 73 V CB 1.943 33.578 31.823 -0.313 0.000 1.057 73 V HN 0.100 nan 8.190 nan 0.000 0.438 74 Y N 2.062 122.452 120.300 0.149 0.000 2.317 74 Y HA 0.588 5.139 4.550 0.001 0.000 0.325 74 Y C -0.292 175.858 175.900 0.417 0.000 1.066 74 Y CA -1.130 57.112 58.100 0.237 0.000 1.203 74 Y CB 1.312 39.878 38.460 0.176 0.000 1.127 74 Y HN 0.810 nan 8.280 nan 0.000 0.451 75 R N 6.747 127.287 120.500 0.066 0.000 2.234 75 R HA 0.522 4.862 4.340 0.001 0.000 0.324 75 R C -1.440 174.677 176.300 -0.306 0.000 1.054 75 R CA -0.155 55.902 56.100 -0.072 0.000 0.912 75 R CB 0.216 30.366 30.300 -0.249 0.000 1.030 75 R HN 0.543 nan 8.270 nan 0.000 0.455 76 F N 0.885 120.585 119.950 -0.417 0.000 2.650 76 F HA 0.663 5.191 4.527 0.001 0.000 0.320 76 F C -1.062 174.690 175.800 -0.080 0.000 1.091 76 F CA -1.221 56.576 58.000 -0.339 0.000 0.962 76 F CB 1.359 40.127 39.000 -0.388 0.000 1.363 76 F HN 0.401 nan 8.300 nan 0.000 0.482 77 S N 0.670 116.390 115.700 0.033 0.000 2.536 77 S HA 0.824 5.294 4.470 0.001 0.000 0.298 77 S C -1.339 173.355 174.600 0.156 0.000 1.083 77 S CA -0.703 57.489 58.200 -0.013 0.000 0.995 77 S CB 1.611 64.860 63.200 0.081 0.000 1.058 77 S HN 0.755 nan 8.310 nan 0.000 0.488 78 V N 1.961 121.878 119.914 0.005 0.000 2.481 78 V HA 0.661 4.781 4.120 0.001 0.000 0.286 78 V C 0.676 176.897 176.094 0.210 0.000 1.042 78 V CA -0.557 61.630 62.300 -0.189 0.000 0.928 78 V CB 1.199 32.780 31.823 -0.404 0.000 0.986 78 V HN 1.156 nan 8.190 nan 0.000 0.462 79 A N 5.080 128.111 122.820 0.351 0.000 2.437 79 A HA 0.168 4.488 4.320 0.001 0.000 0.303 79 A C 0.715 178.555 177.584 0.426 0.000 1.324 79 A CA -0.376 51.923 52.037 0.436 0.000 0.983 79 A CB -0.320 18.946 19.000 0.443 0.000 1.142 79 A HN 1.020 nan 8.150 nan 0.000 0.541 80 W N 5.709 127.079 121.300 0.116 0.000 2.302 80 W HA -0.155 4.505 4.660 0.001 0.000 0.320 80 W C -1.218 175.224 176.519 -0.127 0.000 1.241 80 W CA 2.527 59.642 57.345 -0.384 0.000 1.264 80 W CB -1.251 27.897 29.460 -0.520 0.000 1.154 80 W HN 0.609 nan 8.180 nan 0.000 0.483 81 P HA -0.154 nan 4.420 nan 0.000 0.228 81 P C 1.408 178.800 177.300 0.154 0.000 1.151 81 P CA 1.593 64.748 63.100 0.091 0.000 0.770 81 P CB -0.349 31.381 31.700 0.050 0.000 0.786 82 R N -1.032 119.617 120.500 0.249 0.000 2.246 82 R HA 0.102 4.442 4.340 0.001 0.000 0.199 82 R C 1.842 178.322 176.300 0.300 0.000 0.984 82 R CA 0.360 56.616 56.100 0.260 0.000 1.015 82 R CB 0.013 30.539 30.300 0.377 0.000 0.930 82 R HN 0.167 nan 8.270 nan 0.000 0.475 83 I N -0.004 120.767 120.570 0.335 0.000 2.729 83 I HA 0.034 4.205 4.170 0.001 0.000 0.256 83 I C 0.615 176.894 176.117 0.269 0.000 1.115 83 I CA 0.923 62.423 61.300 0.334 0.000 1.446 83 I CB -0.189 38.068 38.000 0.428 0.000 1.176 83 I HN -0.032 nan 8.210 nan 0.000 0.446 84 L N 1.562 122.954 121.223 0.281 0.000 2.417 84 L HA 0.310 4.650 4.340 0.001 0.000 0.259 84 L C -1.793 175.141 176.870 0.107 0.000 1.023 84 L CA -1.181 53.790 54.840 0.218 0.000 0.901 84 L CB 1.771 44.023 42.059 0.322 0.000 1.227 84 L HN -0.158 nan 8.230 nan 0.000 0.454 85 P HA -0.187 nan 4.420 nan 0.000 0.217 85 P C 0.529 177.804 177.300 -0.042 0.000 1.151 85 P CA 1.265 64.376 63.100 0.018 0.000 0.849 85 P CB 0.338 32.056 31.700 0.030 0.000 0.787 86 E N -2.101 118.081 120.200 -0.031 0.000 2.451 86 E HA 0.285 4.636 4.350 0.001 0.000 0.194 86 E C 1.486 178.017 176.600 -0.115 0.000 1.027 86 E CA 0.464 56.822 56.400 -0.070 0.000 0.914 86 E CB -0.734 28.947 29.700 -0.032 0.000 1.054 86 E HN 0.118 nan 8.360 nan 0.000 0.461 87 G N 0.857 109.559 108.800 -0.163 0.000 2.480 87 G HA2 -0.403 3.557 3.960 0.001 0.000 0.246 87 G HA3 -0.403 3.557 3.960 0.001 0.000 0.246 87 G C 0.669 175.690 174.900 0.202 0.000 1.073 87 G CA 0.815 45.768 45.100 -0.246 0.000 0.643 87 G HN 0.350 nan 8.290 nan 0.000 0.525 88 R N -0.871 119.697 120.500 0.112 0.000 2.808 88 R HA 0.581 4.921 4.340 0.001 0.000 0.272 88 R C 0.951 177.311 176.300 0.099 0.000 0.995 88 R CA 0.600 56.792 56.100 0.152 0.000 0.917 88 R CB 1.291 31.656 30.300 0.109 0.000 1.217 88 R HN 1.599 nan 8.270 nan 0.000 0.471 89 G N 2.350 111.208 108.800 0.098 0.000 2.742 89 G HA2 -0.303 3.658 3.960 0.001 0.000 0.255 89 G HA3 -0.303 3.658 3.960 0.001 0.000 0.255 89 G C -0.891 174.055 174.900 0.077 0.000 1.322 89 G CA 0.118 45.260 45.100 0.070 0.000 0.967 89 G HN 0.775 nan 8.290 nan 0.000 0.556 90 R N 0.941 121.481 120.500 0.066 0.000 2.694 90 R HA 0.541 4.881 4.340 0.001 0.000 0.268 90 R C -0.115 176.241 176.300 0.093 0.000 1.061 90 R CA -0.070 56.071 56.100 0.069 0.000 1.133 90 R CB 0.426 30.759 30.300 0.054 0.000 1.020 90 R HN 0.501 nan 8.270 nan 0.000 0.475 91 I N 1.661 122.286 120.570 0.093 0.000 2.412 91 I HA 0.160 4.330 4.170 0.001 0.000 0.296 91 I C 0.153 176.337 176.117 0.111 0.000 0.987 91 I CA -0.651 60.718 61.300 0.116 0.000 1.180 91 I CB 1.736 39.802 38.000 0.110 0.000 1.340 91 I HN 0.727 nan 8.210 nan 0.000 0.455 92 N N 7.290 126.071 118.700 0.134 0.000 2.645 92 N HA 0.228 4.968 4.740 0.001 0.000 0.233 92 N C -1.953 173.644 175.510 0.145 0.000 1.058 92 N CA -1.619 51.508 53.050 0.128 0.000 0.942 92 N CB 1.098 39.666 38.487 0.135 0.000 1.210 92 N HN 0.303 nan 8.380 nan 0.000 0.512 93 P HA -0.214 nan 4.420 nan 0.000 0.217 93 P C 0.673 178.058 177.300 0.141 0.000 1.151 93 P CA 1.429 64.602 63.100 0.121 0.000 0.849 93 P CB 0.260 32.016 31.700 0.093 0.000 0.787 94 K N -1.181 119.304 120.400 0.142 0.000 2.211 94 K HA -0.010 4.311 4.320 0.001 0.000 0.203 94 K C 2.303 179.039 176.600 0.226 0.000 1.050 94 K CA 1.312 57.698 56.287 0.164 0.000 0.945 94 K CB -0.818 31.771 32.500 0.149 0.000 0.732 94 K HN 0.200 nan 8.250 nan 0.000 0.451 95 G N 1.625 110.572 108.800 0.244 0.000 2.404 95 G HA2 -0.210 3.751 3.960 0.001 0.000 0.215 95 G HA3 -0.210 3.751 3.960 0.001 0.000 0.215 95 G C 1.489 176.652 174.900 0.438 0.000 1.174 95 G CA 0.383 45.693 45.100 0.349 0.000 0.780 95 G HN 0.078 nan 8.290 nan 0.000 0.537 96 L N 0.789 122.221 121.223 0.349 0.000 2.083 96 L HA -0.067 4.273 4.340 0.001 0.000 0.209 96 L C 3.418 180.432 176.870 0.240 0.000 1.083 96 L CA 0.915 55.950 54.840 0.325 0.000 0.752 96 L CB -0.360 41.832 42.059 0.221 0.000 0.899 96 L HN 0.313 nan 8.230 nan 0.000 0.433 97 A N 0.014 122.944 122.820 0.183 0.000 1.883 97 A HA -0.294 4.027 4.320 0.001 0.000 0.217 97 A C 2.160 179.770 177.584 0.043 0.000 1.186 97 A CA 1.777 53.877 52.037 0.106 0.000 0.624 97 A CB -0.875 18.187 19.000 0.104 0.000 0.822 97 A HN 0.409 nan 8.150 nan 0.000 0.444 98 F N -0.322 119.573 119.950 -0.091 0.000 2.046 98 F HA -0.229 4.298 4.527 0.001 0.000 0.297 98 F C 2.128 177.691 175.800 -0.395 0.000 1.123 98 F CA 1.891 59.686 58.000 -0.341 0.000 1.199 98 F CB -0.742 38.021 39.000 -0.394 0.000 0.972 98 F HN 0.307 nan 8.300 nan 0.000 0.474 99 Y N 0.327 120.502 120.300 -0.208 0.000 2.242 99 Y HA -0.153 4.398 4.550 0.001 0.000 0.291 99 Y C 2.381 178.155 175.900 -0.210 0.000 1.137 99 Y CA 1.606 59.548 58.100 -0.264 0.000 1.181 99 Y CB -1.177 37.351 38.460 0.114 0.000 0.989 99 Y HN 0.223 nan 8.280 nan 0.000 0.527 100 D N 0.137 120.550 120.400 0.022 0.000 2.092 100 D HA -0.212 4.428 4.640 0.001 0.000 0.193 100 D C 2.381 178.625 176.300 -0.092 0.000 0.994 100 D CA 1.539 55.544 54.000 0.008 0.000 0.828 100 D CB -0.103 40.719 40.800 0.036 0.000 0.963 100 D HN 0.143 nan 8.370 nan 0.000 0.450 101 R N -0.113 120.274 120.500 -0.188 0.000 2.081 101 R HA -0.092 4.249 4.340 0.001 0.000 0.235 101 R C 2.571 178.689 176.300 -0.303 0.000 1.131 101 R CA 1.023 56.992 56.100 -0.220 0.000 0.960 101 R CB -0.522 29.628 30.300 -0.250 0.000 0.856 101 R HN 0.338 nan 8.270 nan 0.000 0.436 102 L N 0.691 121.578 121.223 -0.560 0.000 2.012 102 L HA -0.185 4.155 4.340 0.001 0.000 0.210 102 L C 2.128 178.834 176.870 -0.273 0.000 1.073 102 L CA 1.527 56.036 54.840 -0.553 0.000 0.748 102 L CB -0.285 41.275 42.059 -0.832 0.000 0.891 102 L HN 0.128 nan 8.230 nan 0.000 0.431 103 V N 0.206 120.003 119.914 -0.194 0.000 2.392 103 V HA -0.309 3.811 4.120 0.001 0.000 0.249 103 V C 2.169 178.247 176.094 -0.026 0.000 1.059 103 V CA 2.058 64.326 62.300 -0.053 0.000 1.051 103 V CB -0.680 31.168 31.823 0.042 0.000 0.658 103 V HN 0.522 nan 8.190 nan 0.000 0.455 104 D N -0.437 119.936 120.400 -0.045 0.000 2.117 104 D HA -0.096 4.545 4.640 0.001 0.000 0.198 104 D C 2.444 178.732 176.300 -0.019 0.000 0.982 104 D CA 0.781 54.769 54.000 -0.020 0.000 0.828 104 D CB -0.199 40.588 40.800 -0.021 0.000 0.967 104 D HN 0.252 nan 8.370 nan 0.000 0.464 105 R N 0.530 121.008 120.500 -0.036 0.000 2.092 105 R HA -0.000 4.340 4.340 0.001 0.000 0.231 105 R C 2.568 178.855 176.300 -0.023 0.000 1.119 105 R CA 0.261 56.348 56.100 -0.020 0.000 0.970 105 R CB -0.930 29.372 30.300 0.004 0.000 0.864 105 R HN 0.304 nan 8.270 nan 0.000 0.440 106 L N 0.452 121.657 121.223 -0.029 0.000 1.994 106 L HA -0.168 4.173 4.340 0.001 0.000 0.208 106 L C 2.509 179.390 176.870 0.018 0.000 1.071 106 L CA 1.251 56.087 54.840 -0.007 0.000 0.745 106 L CB -0.584 41.491 42.059 0.028 0.000 0.892 106 L HN 0.113 nan 8.230 nan 0.000 0.431 107 L N -0.296 120.943 121.223 0.028 0.000 2.042 107 L HA -0.211 4.130 4.340 0.001 0.000 0.210 107 L C 2.762 179.645 176.870 0.022 0.000 1.076 107 L CA 1.257 56.119 54.840 0.036 0.000 0.749 107 L CB -0.758 41.325 42.059 0.040 0.000 0.893 107 L HN 0.270 nan 8.230 nan 0.000 0.432 108 A N -0.336 122.489 122.820 0.009 0.000 2.121 108 A HA 0.058 4.379 4.320 0.001 0.000 0.218 108 A C 2.178 179.762 177.584 -0.002 0.000 1.154 108 A CA 1.321 53.360 52.037 0.003 0.000 0.679 108 A CB -0.395 18.603 19.000 -0.002 0.000 0.795 108 A HN 0.393 nan 8.150 nan 0.000 0.458 109 A N -1.838 120.980 122.820 -0.004 0.000 2.345 109 A HA 0.454 4.774 4.320 0.001 0.000 0.225 109 A C 1.616 179.200 177.584 -0.000 0.000 1.243 109 A CA 0.958 52.988 52.037 -0.011 0.000 0.875 109 A CB -0.748 18.236 19.000 -0.027 0.000 0.929 109 A HN 1.741 nan 8.150 nan 0.000 0.502 110 G N -0.478 108.330 108.800 0.013 0.000 2.143 110 G HA2 -0.228 3.732 3.960 0.001 0.000 0.248 110 G HA3 -0.228 3.732 3.960 0.001 0.000 0.248 110 G C 0.010 174.932 174.900 0.036 0.000 0.991 110 G CA 0.469 45.583 45.100 0.024 0.000 0.689 110 G HN 0.530 nan 8.290 nan 0.000 0.522 111 I N 1.424 122.019 120.570 0.042 0.000 2.354 111 I HA 0.322 4.493 4.170 0.001 0.000 0.292 111 I C 0.458 176.638 176.117 0.105 0.000 0.989 111 I CA -0.724 60.615 61.300 0.066 0.000 1.188 111 I CB 1.764 39.797 38.000 0.055 0.000 1.342 111 I HN -0.034 nan 8.210 nan 0.000 0.457 112 T N 7.922 122.550 114.554 0.123 0.000 2.794 112 T HA 0.229 4.579 4.350 0.001 0.000 0.296 112 T C -2.309 172.529 174.700 0.230 0.000 0.949 112 T CA -0.930 61.268 62.100 0.163 0.000 1.101 112 T CB 0.565 69.531 68.868 0.164 0.000 0.905 112 T HN 0.397 nan 8.240 nan 0.000 0.516 113 P HA 0.346 nan 4.420 nan 0.000 0.285 113 P C -1.121 176.365 177.300 0.310 0.000 1.259 113 P CA -0.546 62.784 63.100 0.384 0.000 0.794 113 P CB 0.605 32.538 31.700 0.390 0.000 0.940 114 F N 4.158 124.163 119.950 0.092 0.000 2.513 114 F HA 0.409 4.937 4.527 0.001 0.000 0.358 114 F C -0.795 174.740 175.800 -0.442 0.000 1.118 114 F CA -1.007 56.897 58.000 -0.161 0.000 1.037 114 F CB 0.879 39.773 39.000 -0.177 0.000 1.276 114 F HN 0.134 nan 8.300 nan 0.000 0.446 115 L N 4.876 125.713 121.223 -0.643 0.000 2.357 115 L HA 0.612 4.952 4.340 0.001 0.000 0.273 115 L C -0.459 176.106 176.870 -0.509 0.000 1.080 115 L CA -0.002 54.269 54.840 -0.948 0.000 0.803 115 L CB 1.355 42.782 42.059 -1.053 0.000 1.174 115 L HN 0.548 nan 8.230 nan 0.000 0.443 116 T N 5.363 119.681 114.554 -0.394 0.000 2.809 116 T HA 0.333 4.683 4.350 0.001 0.000 0.284 116 T C 1.090 175.794 174.700 0.007 0.000 0.992 116 T CA -0.484 61.572 62.100 -0.073 0.000 0.957 116 T CB 1.512 70.415 68.868 0.058 0.000 0.942 116 T HN 0.537 nan 8.240 nan 0.000 0.439 117 L N 1.769 123.067 121.223 0.125 0.000 2.044 117 L HA 0.139 4.480 4.340 0.001 0.000 0.205 117 L C 0.318 177.534 176.870 0.577 0.000 1.075 117 L CA 1.088 56.056 54.840 0.213 0.000 0.747 117 L CB 0.006 42.136 42.059 0.118 0.000 0.903 117 L HN 0.592 nan 8.230 nan 0.000 0.435 118 Y N -0.304 120.278 120.300 0.470 0.000 2.376 118 Y HA 0.286 4.837 4.550 0.001 0.000 0.326 118 Y C -0.241 175.888 175.900 0.382 0.000 0.970 118 Y CA -1.031 57.382 58.100 0.521 0.000 1.248 118 Y CB 0.284 39.008 38.460 0.441 0.000 1.117 118 Y HN 0.005 nan 8.280 nan 0.000 0.476 119 H N 7.002 125.937 119.070 -0.225 0.000 2.412 119 H HA 0.145 4.702 4.556 0.001 0.000 0.239 119 H C -0.573 174.535 175.328 -0.368 0.000 1.388 119 H CA -0.068 55.779 56.048 -0.336 0.000 1.148 119 H CB -0.189 29.466 29.762 -0.178 0.000 1.637 119 H HN 0.987 nan 8.280 nan 0.000 0.542 120 W N -0.011 120.740 121.300 -0.915 0.000 1.446 120 W HA -0.232 4.429 4.660 0.001 0.000 0.238 120 W C 0.311 176.846 176.519 0.026 0.000 0.976 120 W CA 0.791 57.864 57.345 -0.453 0.000 0.404 120 W CB -2.004 27.234 29.460 -0.370 0.000 1.980 120 W HN 0.543 nan 8.180 nan 0.000 1.274 121 D N 1.467 122.030 120.400 0.272 0.000 2.845 121 D HA 0.343 4.984 4.640 0.001 0.000 0.235 121 D C 0.363 176.914 176.300 0.419 0.000 1.158 121 D CA -0.224 53.999 54.000 0.372 0.000 0.990 121 D CB -0.486 40.501 40.800 0.312 0.000 1.094 121 D HN 0.148 nan 8.370 nan 0.000 0.486 122 L N 1.096 122.627 121.223 0.514 0.000 2.455 122 L HA 0.262 4.602 4.340 0.001 0.000 0.272 122 L C -2.480 174.320 176.870 -0.116 0.000 1.174 122 L CA -1.353 53.629 54.840 0.237 0.000 0.869 122 L CB 0.382 42.555 42.059 0.189 0.000 1.130 122 L HN -0.061 nan 8.230 nan 0.000 0.474 123 P HA 0.040 nan 4.420 nan 0.000 0.267 123 P C -0.237 176.888 177.300 -0.291 0.000 1.209 123 P CA -0.015 62.856 63.100 -0.383 0.000 0.763 123 P CB 0.787 32.115 31.700 -0.621 0.000 0.816 124 Q N 5.041 124.737 119.800 -0.174 0.000 2.152 124 Q HA -0.247 4.093 4.340 0.001 0.000 0.206 124 Q C 1.904 177.812 176.000 -0.153 0.000 0.985 124 Q CA 2.499 58.219 55.803 -0.137 0.000 0.863 124 Q CB -1.099 27.588 28.738 -0.085 0.000 0.904 124 Q HN 0.515 nan 8.270 nan 0.000 0.422 125 A N -0.156 122.565 122.820 -0.165 0.000 1.978 125 A HA -0.157 4.163 4.320 0.001 0.000 0.220 125 A C 2.051 179.528 177.584 -0.177 0.000 1.170 125 A CA 1.511 53.460 52.037 -0.147 0.000 0.636 125 A CB -0.648 18.272 19.000 -0.133 0.000 0.810 125 A HN 0.467 nan 8.150 nan 0.000 0.448 126 L N -1.295 119.771 121.223 -0.263 0.000 2.095 126 L HA -0.126 4.215 4.340 0.001 0.000 0.204 126 L C 2.628 179.354 176.870 -0.241 0.000 1.080 126 L CA 1.507 56.173 54.840 -0.290 0.000 0.759 126 L CB -0.493 41.285 42.059 -0.468 0.000 0.914 126 L HN 0.455 nan 8.230 nan 0.000 0.439 127 E N 0.845 120.909 120.200 -0.228 0.000 2.085 127 E HA -0.255 4.096 4.350 0.001 0.000 0.194 127 E C 1.564 178.097 176.600 -0.112 0.000 0.994 127 E CA 1.530 57.835 56.400 -0.158 0.000 0.801 127 E CB -0.147 29.473 29.700 -0.134 0.000 0.743 127 E HN 0.315 nan 8.360 nan 0.000 0.453 128 D N -0.317 120.019 120.400 -0.107 0.000 2.384 128 D HA -0.113 4.527 4.640 0.001 0.000 0.222 128 D C 0.910 177.166 176.300 -0.074 0.000 0.976 128 D CA 0.673 54.626 54.000 -0.079 0.000 0.915 128 D CB -0.042 40.714 40.800 -0.073 0.000 0.896 128 D HN 0.232 nan 8.370 nan 0.000 0.523 129 R N -1.174 119.271 120.500 -0.091 0.000 2.546 129 R HA 0.318 4.659 4.340 0.001 0.000 0.320 129 R C 1.035 177.288 176.300 -0.077 0.000 1.021 129 R CA 0.285 56.336 56.100 -0.082 0.000 1.088 129 R CB 1.112 31.356 30.300 -0.094 0.000 1.278 129 R HN 0.090 nan 8.270 nan 0.000 0.557 130 G N -0.238 108.521 108.800 -0.068 0.000 2.211 130 G HA2 -0.216 3.744 3.960 0.001 0.000 0.201 130 G HA3 -0.216 3.744 3.960 0.001 0.000 0.201 130 G C 0.678 175.554 174.900 -0.040 0.000 0.997 130 G CA -0.298 44.777 45.100 -0.040 0.000 0.652 130 G HN 0.623 nan 8.290 nan 0.000 0.500 131 G N -0.195 108.534 108.800 -0.118 0.000 2.611 131 G HA2 -0.342 3.619 3.960 0.001 0.000 0.301 131 G HA3 -0.342 3.619 3.960 0.001 0.000 0.301 131 G C 0.789 175.566 174.900 -0.204 0.000 1.233 131 G CA 1.064 46.049 45.100 -0.191 0.000 0.993 131 G HN 1.088 nan 8.290 nan 0.000 0.553 132 W N 1.011 122.310 121.300 -0.002 0.000 3.292 132 W HA 0.427 5.087 4.660 0.001 0.000 0.263 132 W C 2.536 179.096 176.519 0.067 0.000 1.318 132 W CA 0.098 57.435 57.345 -0.014 0.000 1.663 132 W CB 0.131 29.543 29.460 -0.081 0.000 1.114 132 W HN 0.306 nan 8.180 nan 0.000 0.706 133 R N -0.316 120.305 120.500 0.202 0.000 2.246 133 R HA 0.058 4.398 4.340 0.001 0.000 0.199 133 R C 1.054 177.493 176.300 0.231 0.000 0.984 133 R CA 0.277 56.506 56.100 0.215 0.000 1.015 133 R CB 0.157 30.506 30.300 0.082 0.000 0.930 133 R HN -0.148 nan 8.270 nan 0.000 0.475 134 S N -0.246 115.463 115.700 0.015 0.000 2.489 134 S HA 0.234 4.705 4.470 0.001 0.000 0.291 134 S C 0.757 175.073 174.600 -0.473 0.000 1.151 134 S CA -0.810 57.292 58.200 -0.163 0.000 1.082 134 S CB 1.535 64.668 63.200 -0.112 0.000 1.019 134 S HN 0.221 nan 8.310 nan 0.000 0.492 135 R N 2.349 122.480 120.500 -0.616 0.000 2.189 135 R HA -0.026 4.314 4.340 0.001 0.000 0.218 135 R C 1.966 178.261 176.300 -0.009 0.000 1.074 135 R CA 1.575 57.371 56.100 -0.506 0.000 0.991 135 R CB -0.135 30.063 30.300 -0.170 0.000 0.883 135 R HN 0.921 nan 8.270 nan 0.000 0.457 136 E N -0.857 119.316 120.200 -0.046 0.000 2.265 136 E HA -0.138 4.213 4.350 0.001 0.000 0.196 136 E C 0.843 177.501 176.600 0.097 0.000 0.996 136 E CA 1.463 57.881 56.400 0.030 0.000 0.832 136 E CB -0.098 29.565 29.700 -0.061 0.000 0.756 136 E HN 0.120 nan 8.360 nan 0.000 0.491 137 T N 0.569 115.107 114.554 -0.026 0.000 2.995 137 T HA 0.085 4.436 4.350 0.001 0.000 0.269 137 T C 1.819 176.530 174.700 0.019 0.000 1.091 137 T CA 0.902 62.930 62.100 -0.120 0.000 1.128 137 T CB 0.006 68.606 68.868 -0.448 0.000 0.891 137 T HN 0.407 nan 8.240 nan 0.000 0.492 138 A N 0.311 123.231 122.820 0.167 0.000 2.014 138 A HA 0.150 4.471 4.320 0.001 0.000 0.218 138 A C 1.725 179.404 177.584 0.158 0.000 1.163 138 A CA 0.857 53.052 52.037 0.263 0.000 0.652 138 A CB -0.634 18.477 19.000 0.185 0.000 0.808 138 A HN 0.463 nan 8.150 nan 0.000 0.449 139 F N -0.130 119.894 119.950 0.122 0.000 2.270 139 F HA 0.119 4.647 4.527 0.001 0.000 0.295 139 F C 2.696 178.562 175.800 0.110 0.000 1.087 139 F CA 0.683 58.736 58.000 0.090 0.000 1.365 139 F CB -0.448 38.578 39.000 0.042 0.000 1.056 139 F HN 0.227 nan 8.300 nan 0.000 0.506 140 A N -0.391 122.632 122.820 0.338 0.000 1.972 140 A HA -0.236 4.084 4.320 0.001 0.000 0.219 140 A C 2.044 179.849 177.584 0.368 0.000 1.169 140 A CA 1.405 53.652 52.037 0.351 0.000 0.635 140 A CB -1.304 17.911 19.000 0.360 0.000 0.810 140 A HN 0.409 nan 8.150 nan 0.000 0.446 141 F N 0.756 120.799 119.950 0.154 0.000 2.259 141 F HA 0.112 4.639 4.527 0.001 0.000 0.298 141 F C 2.346 178.059 175.800 -0.145 0.000 1.088 141 F CA 0.726 58.633 58.000 -0.154 0.000 1.358 141 F CB -0.310 38.729 39.000 0.065 0.000 1.040 141 F HN 0.230 nan 8.300 nan 0.000 0.505 142 A N 0.120 122.833 122.820 -0.180 0.000 1.929 142 A HA -0.136 4.185 4.320 0.001 0.000 0.216 142 A C 2.108 179.526 177.584 -0.276 0.000 1.176 142 A CA 1.636 53.492 52.037 -0.301 0.000 0.628 142 A CB -0.733 18.158 19.000 -0.182 0.000 0.816 142 A HN 0.505 nan 8.150 nan 0.000 0.444 143 E N -1.571 118.558 120.200 -0.119 0.000 2.150 143 E HA -0.182 4.168 4.350 0.001 0.000 0.193 143 E C 1.820 178.358 176.600 -0.103 0.000 0.985 143 E CA 1.327 57.689 56.400 -0.064 0.000 0.814 143 E CB -0.282 29.450 29.700 0.052 0.000 0.752 143 E HN 0.806 nan 8.360 nan 0.000 0.466 144 Y N 1.302 121.396 120.300 -0.344 0.000 2.200 144 Y HA -0.084 4.466 4.550 0.001 0.000 0.290 144 Y C 2.118 177.735 175.900 -0.472 0.000 1.137 144 Y CA 1.090 58.914 58.100 -0.460 0.000 1.163 144 Y CB -0.646 37.209 38.460 -1.007 0.000 0.988 144 Y HN -0.037 nan 8.280 nan 0.000 0.518 145 A N 0.592 122.879 122.820 -0.888 0.000 1.883 145 A HA -0.257 4.063 4.320 0.001 0.000 0.217 145 A C 2.299 179.567 177.584 -0.526 0.000 1.186 145 A CA 1.962 53.487 52.037 -0.853 0.000 0.624 145 A CB -1.064 17.447 19.000 -0.815 0.000 0.822 145 A HN 0.654 nan 8.150 nan 0.000 0.444 146 E N -0.244 119.727 120.200 -0.383 0.000 2.033 146 E HA -0.192 4.158 4.350 0.001 0.000 0.199 146 E C 2.237 178.717 176.600 -0.201 0.000 1.011 146 E CA 1.286 57.530 56.400 -0.261 0.000 0.815 146 E CB -0.318 29.275 29.700 -0.179 0.000 0.755 146 E HN 0.528 nan 8.360 nan 0.000 0.451 147 A N 0.516 123.246 122.820 -0.150 0.000 1.892 147 A HA -0.213 4.108 4.320 0.001 0.000 0.218 147 A C 2.457 180.001 177.584 -0.066 0.000 1.188 147 A CA 1.956 53.955 52.037 -0.065 0.000 0.631 147 A CB -0.948 18.062 19.000 0.017 0.000 0.822 147 A HN 0.261 nan 8.150 nan 0.000 0.447 148 V N -0.373 119.456 119.914 -0.142 0.000 2.343 148 V HA -0.235 3.885 4.120 0.001 0.000 0.247 148 V C 3.045 179.129 176.094 -0.017 0.000 1.051 148 V CA 2.011 64.263 62.300 -0.080 0.000 1.036 148 V CB -1.223 30.473 31.823 -0.211 0.000 0.654 148 V HN 0.652 nan 8.190 nan 0.000 0.451 149 A N 0.031 122.756 122.820 -0.158 0.000 1.898 149 A HA -0.194 4.126 4.320 0.001 0.000 0.216 149 A C 2.306 179.803 177.584 -0.145 0.000 1.181 149 A CA 1.561 53.433 52.037 -0.275 0.000 0.620 149 A CB -0.474 18.197 19.000 -0.547 0.000 0.819 149 A HN 0.513 nan 8.150 nan 0.000 0.442 150 R N -0.683 119.746 120.500 -0.119 0.000 2.328 150 R HA 0.082 4.422 4.340 0.001 0.000 0.207 150 R C 1.818 178.109 176.300 -0.015 0.000 1.056 150 R CA 0.759 56.816 56.100 -0.070 0.000 1.016 150 R CB -0.187 30.074 30.300 -0.065 0.000 0.872 150 R HN 0.523 nan 8.270 nan 0.000 0.471 151 A N -0.214 122.616 122.820 0.016 0.000 2.108 151 A HA 0.191 4.511 4.320 0.001 0.000 0.206 151 A C 1.652 179.289 177.584 0.088 0.000 1.212 151 A CA 0.179 52.250 52.037 0.056 0.000 0.843 151 A CB 0.437 19.484 19.000 0.078 0.000 0.902 151 A HN 0.146 nan 8.150 nan 0.000 0.477 152 L N -1.752 119.548 121.223 0.128 0.000 2.717 152 L HA 0.247 4.587 4.340 0.001 0.000 0.239 152 L C 2.429 179.445 176.870 0.242 0.000 1.086 152 L CA 0.715 55.666 54.840 0.186 0.000 0.897 152 L CB -0.049 42.146 42.059 0.227 0.000 1.214 152 L HN 0.269 nan 8.230 nan 0.000 0.508 153 A N 1.260 124.224 122.820 0.239 0.000 2.194 153 A HA -0.242 4.079 4.320 0.001 0.000 0.220 153 A C 1.864 179.520 177.584 0.119 0.000 1.162 153 A CA 1.867 54.028 52.037 0.206 0.000 0.674 153 A CB -0.541 18.397 19.000 -0.103 0.000 0.789 153 A HN 0.626 nan 8.150 nan 0.000 0.470 154 D N -0.921 119.528 120.400 0.082 0.000 2.269 154 D HA -0.129 4.511 4.640 0.001 0.000 0.208 154 D C 1.689 178.026 176.300 0.062 0.000 0.963 154 D CA 1.062 55.093 54.000 0.052 0.000 0.864 154 D CB -0.219 40.603 40.800 0.037 0.000 0.936 154 D HN 0.533 nan 8.370 nan 0.000 0.505 155 R N -0.558 119.995 120.500 0.088 0.000 2.507 155 R HA 0.251 4.591 4.340 0.001 0.000 0.230 155 R C -0.057 176.300 176.300 0.094 0.000 0.897 155 R CA -0.088 56.060 56.100 0.080 0.000 1.006 155 R CB 1.596 31.939 30.300 0.072 0.000 1.341 155 R HN -0.060 nan 8.270 nan 0.000 0.604 156 V N 4.395 124.378 119.914 0.114 0.000 2.353 156 V HA 0.140 4.261 4.120 0.001 0.000 0.264 156 V C -1.535 174.604 176.094 0.073 0.000 1.049 156 V CA -1.173 61.154 62.300 0.045 0.000 0.896 156 V CB 1.443 33.172 31.823 -0.158 0.000 1.025 156 V HN 0.076 nan 8.190 nan 0.000 0.475 157 P HA 0.006 nan 4.420 nan 0.000 0.221 157 P C 0.076 177.213 177.300 -0.272 0.000 1.155 157 P CA 0.719 63.762 63.100 -0.096 0.000 0.812 157 P CB 0.319 31.928 31.700 -0.152 0.000 0.801 158 F N -0.084 119.697 119.950 -0.281 0.000 2.427 158 F HA 0.445 4.972 4.527 0.001 0.000 0.346 158 F C 0.214 175.643 175.800 -0.619 0.000 1.120 158 F CA -0.813 56.880 58.000 -0.511 0.000 1.033 158 F CB 0.817 39.078 39.000 -1.231 0.000 1.126 158 F HN -0.293 nan 8.300 nan 0.000 0.462 159 F N 2.153 122.032 119.950 -0.118 0.000 2.507 159 F HA 0.685 5.212 4.527 0.001 0.000 0.328 159 F C -0.055 175.728 175.800 -0.028 0.000 1.136 159 F CA -0.906 57.016 58.000 -0.130 0.000 0.930 159 F CB 1.726 40.640 39.000 -0.144 0.000 1.166 159 F HN 0.525 nan 8.300 nan 0.000 0.436 160 A N 2.052 124.934 122.820 0.104 0.000 2.303 160 A HA 0.534 4.855 4.320 0.001 0.000 0.320 160 A C 0.817 178.497 177.584 0.160 0.000 1.192 160 A CA -0.058 52.069 52.037 0.151 0.000 0.821 160 A CB 0.677 19.813 19.000 0.227 0.000 1.188 160 A HN 0.862 nan 8.150 nan 0.000 0.492 161 T N 1.681 116.347 114.554 0.187 0.000 2.588 161 T HA 0.048 4.399 4.350 0.001 0.000 0.261 161 T C 0.732 175.667 174.700 0.391 0.000 1.069 161 T CA 1.121 63.414 62.100 0.322 0.000 1.172 161 T CB -0.674 68.431 68.868 0.394 0.000 0.863 161 T HN 0.464 nan 8.240 nan 0.000 0.408 162 L N 0.826 122.192 121.223 0.239 0.000 2.301 162 L HA 0.565 4.905 4.340 0.001 0.000 0.264 162 L C -0.417 176.499 176.870 0.077 0.000 1.016 162 L CA -1.209 53.740 54.840 0.183 0.000 0.821 162 L CB 1.668 43.747 42.059 0.033 0.000 1.346 162 L HN 0.268 nan 8.230 nan 0.000 0.429 163 N N 1.046 119.759 118.700 0.021 0.000 2.399 163 N HA 0.152 4.892 4.740 0.001 0.000 0.280 163 N C -1.017 174.489 175.510 -0.006 0.000 1.008 163 N CA -0.217 52.755 53.050 -0.130 0.000 0.894 163 N CB 1.419 39.591 38.487 -0.526 0.000 1.273 163 N HN 0.721 nan 8.380 nan 0.000 0.486 164 E N 1.705 121.881 120.200 -0.039 0.000 2.273 164 E HA -0.162 4.189 4.350 0.001 0.000 0.177 164 E C -1.921 174.611 176.600 -0.112 0.000 1.511 164 E CA -0.149 56.251 56.400 -0.000 0.000 0.675 164 E CB -0.691 29.147 29.700 0.231 0.000 1.094 164 E HN 0.579 nan 8.360 nan 0.000 0.348 165 P HA -0.196 nan 4.420 nan 0.000 0.216 165 P C 1.221 178.087 177.300 -0.724 0.000 1.150 165 P CA 1.181 63.847 63.100 -0.724 0.000 0.837 165 P CB -0.028 30.922 31.700 -1.251 0.000 0.786 166 W N 0.029 120.811 121.300 -0.863 0.000 2.304 166 W HA -0.300 4.360 4.660 0.001 0.000 0.315 166 W C 2.110 178.532 176.519 -0.161 0.000 1.233 166 W CA 1.633 58.835 57.345 -0.238 0.000 1.261 166 W CB -1.075 28.327 29.460 -0.097 0.000 1.150 166 W HN -0.042 nan 8.180 nan 0.000 0.494 167 C N -0.488 118.802 119.300 -0.017 0.000 2.462 167 C HA -0.173 4.287 4.460 0.001 0.000 0.278 167 C C 2.898 177.537 174.990 -0.585 0.000 1.253 167 C CA 1.630 60.460 59.018 -0.313 0.000 1.713 167 C CB -1.425 26.101 27.740 -0.356 0.000 2.049 167 C HN 0.369 nan 8.230 nan 0.000 0.477 168 S N 0.943 116.249 115.700 -0.656 0.000 2.374 168 S HA -0.171 4.300 4.470 0.001 0.000 0.227 168 S C 2.049 176.462 174.600 -0.312 0.000 1.037 168 S CA 1.611 59.496 58.200 -0.525 0.000 1.024 168 S CB -0.482 62.467 63.200 -0.418 0.000 0.861 168 S HN 0.726 nan 8.310 nan 0.000 0.456 169 A N 1.099 123.656 122.820 -0.439 0.000 1.826 169 A HA 0.128 4.448 4.320 0.001 0.000 0.214 169 A C 1.819 179.082 177.584 -0.536 0.000 1.212 169 A CA 1.182 52.892 52.037 -0.545 0.000 0.605 169 A CB -0.955 17.558 19.000 -0.813 0.000 0.861 169 A HN 0.440 nan 8.150 nan 0.000 0.447 170 F N -0.852 118.855 119.950 -0.405 0.000 2.234 170 F HA 0.050 4.578 4.527 0.001 0.000 0.296 170 F C 1.968 177.570 175.800 -0.329 0.000 1.089 170 F CA 0.491 58.290 58.000 -0.336 0.000 1.343 170 F CB -0.498 38.156 39.000 -0.577 0.000 1.040 170 F HN 0.088 nan 8.300 nan 0.000 0.498 171 L N -0.099 120.883 121.223 -0.401 0.000 2.131 171 L HA 0.090 4.431 4.340 0.001 0.000 0.206 171 L C 2.518 179.154 176.870 -0.390 0.000 1.087 171 L CA 1.653 56.215 54.840 -0.463 0.000 0.767 171 L CB -1.549 40.046 42.059 -0.773 0.000 0.917 171 L HN 0.164 nan 8.230 nan 0.000 0.441 172 G N -2.728 105.853 108.800 -0.365 0.000 2.551 172 G HA2 -0.112 3.849 3.960 0.001 0.000 0.216 172 G HA3 -0.112 3.849 3.960 0.001 0.000 0.216 172 G C 1.309 175.853 174.900 -0.593 0.000 1.137 172 G CA 0.276 45.095 45.100 -0.468 0.000 0.798 172 G HN 0.509 nan 8.290 nan 0.000 0.536 173 H N -3.136 115.827 119.070 -0.179 0.000 3.400 173 H HA 0.134 4.691 4.556 0.001 0.000 0.251 173 H C 1.504 176.874 175.328 0.069 0.000 1.040 173 H CA -0.537 55.458 56.048 -0.088 0.000 1.175 173 H CB 0.439 30.120 29.762 -0.135 0.000 1.487 173 H HN 0.471 nan 8.280 nan 0.000 0.505 174 W N 2.561 123.838 121.300 -0.038 0.000 2.633 174 W HA -0.130 4.531 4.660 0.001 0.000 0.295 174 W C 2.053 178.549 176.519 -0.039 0.000 1.133 174 W CA 1.485 58.826 57.345 -0.007 0.000 1.490 174 W CB 0.450 29.975 29.460 0.108 0.000 1.127 174 W HN 0.029 nan 8.180 nan 0.000 0.538 175 T N -2.526 111.994 114.554 -0.056 0.000 3.054 175 T HA 0.181 4.532 4.350 0.001 0.000 0.259 175 T C 1.589 176.202 174.700 -0.146 0.000 1.092 175 T CA 1.057 63.013 62.100 -0.241 0.000 1.121 175 T CB -0.231 68.484 68.868 -0.256 0.000 0.912 175 T HN 0.470 nan 8.240 nan 0.000 0.489 176 G N 1.442 110.167 108.800 -0.125 0.000 2.155 176 G HA2 -0.297 3.664 3.960 0.001 0.000 0.257 176 G HA3 -0.297 3.664 3.960 0.001 0.000 0.257 176 G C 0.539 175.391 174.900 -0.080 0.000 0.983 176 G CA 0.533 45.562 45.100 -0.119 0.000 0.676 176 G HN 0.606 nan 8.290 nan 0.000 0.528 177 E N -0.744 119.389 120.200 -0.111 0.000 2.285 177 E HA 0.086 4.436 4.350 0.001 0.000 0.194 177 E C 1.081 177.741 176.600 0.101 0.000 0.997 177 E CA 0.538 56.948 56.400 0.017 0.000 0.845 177 E CB 0.123 29.797 29.700 -0.042 0.000 0.782 177 E HN 0.838 nan 8.360 nan 0.000 0.491 178 H N -1.234 117.588 119.070 -0.413 0.000 2.812 178 H HA 0.559 5.115 4.556 0.001 0.000 0.355 178 H C -0.609 173.796 175.328 -1.538 0.000 1.207 178 H CA -1.411 54.164 56.048 -0.788 0.000 1.217 178 H CB 1.481 30.988 29.762 -0.425 0.000 1.874 178 H HN 0.027 nan 8.280 nan 0.000 0.581 179 A N 1.846 123.467 122.820 -1.999 0.000 2.462 179 A HA 0.076 4.397 4.320 0.001 0.000 0.243 179 A C -1.612 175.446 177.584 -0.878 0.000 1.076 179 A CA -0.992 50.040 52.037 -1.675 0.000 0.773 179 A CB -0.103 17.801 19.000 -1.827 0.000 1.010 179 A HN 0.588 nan 8.150 nan 0.000 0.493 180 P HA 0.082 nan 4.420 nan 0.000 0.245 180 P C 0.776 177.805 177.300 -0.452 0.000 1.212 180 P CA 1.126 63.910 63.100 -0.527 0.000 0.774 180 P CB 0.230 31.736 31.700 -0.323 0.000 0.999 181 G N -0.111 108.346 108.800 -0.572 0.000 2.140 181 G HA2 -0.184 3.776 3.960 0.001 0.000 0.211 181 G HA3 -0.184 3.776 3.960 0.001 0.000 0.211 181 G C -0.111 174.691 174.900 -0.163 0.000 1.013 181 G CA -0.381 44.544 45.100 -0.290 0.000 0.705 181 G HN 0.245 nan 8.290 nan 0.000 0.508 182 L N -0.780 120.308 121.223 -0.225 0.000 2.456 182 L HA 0.649 4.989 4.340 0.001 0.000 0.257 182 L C 1.113 177.973 176.870 -0.015 0.000 1.162 182 L CA -0.604 54.184 54.840 -0.086 0.000 0.808 182 L CB 0.741 42.780 42.059 -0.034 0.000 1.136 182 L HN 0.098 nan 8.230 nan 0.000 0.466 183 R N 2.103 122.630 120.500 0.046 0.000 2.639 183 R HA 0.267 4.607 4.340 0.001 0.000 0.273 183 R C -0.991 175.420 176.300 0.185 0.000 1.732 183 R CA -0.316 55.850 56.100 0.110 0.000 1.586 183 R CB 0.642 30.963 30.300 0.035 0.000 1.263 183 R HN 0.548 nan 8.270 nan 0.000 0.615 184 N N 3.058 121.901 118.700 0.237 0.000 2.699 184 N HA -0.001 4.740 4.740 0.001 0.000 0.271 184 N C 0.401 175.917 175.510 0.009 0.000 1.216 184 N CA -0.201 52.931 53.050 0.137 0.000 0.844 184 N CB 1.430 39.947 38.487 0.050 0.000 1.462 184 N HN 0.293 nan 8.380 nan 0.000 0.555 185 L N 4.044 125.135 121.223 -0.220 0.000 2.021 185 L HA -0.141 4.199 4.340 0.001 0.000 0.215 185 L C 1.771 178.308 176.870 -0.554 0.000 1.074 185 L CA 2.182 56.525 54.840 -0.828 0.000 0.760 185 L CB -0.250 40.934 42.059 -1.459 0.000 0.889 185 L HN 0.637 nan 8.230 nan 0.000 0.433 186 E N -0.913 119.062 120.200 -0.376 0.000 2.106 186 E HA -0.171 4.180 4.350 0.001 0.000 0.192 186 E C 2.182 178.634 176.600 -0.246 0.000 0.984 186 E CA 0.994 57.211 56.400 -0.305 0.000 0.806 186 E CB -0.292 29.277 29.700 -0.218 0.000 0.750 186 E HN 0.678 nan 8.360 nan 0.000 0.458 187 A N 1.376 124.091 122.820 -0.175 0.000 1.933 187 A HA -0.134 4.186 4.320 0.001 0.000 0.218 187 A C 2.354 179.778 177.584 -0.267 0.000 1.175 187 A CA 1.617 53.571 52.037 -0.139 0.000 0.628 187 A CB -0.582 18.407 19.000 -0.018 0.000 0.814 187 A HN 0.302 nan 8.150 nan 0.000 0.444 188 A N 0.000 122.652 122.820 -0.280 0.000 1.858 188 A HA -0.073 4.247 4.320 0.001 0.000 0.216 188 A C 2.141 179.394 177.584 -0.552 0.000 1.190 188 A CA 1.536 53.314 52.037 -0.432 0.000 0.617 188 A CB -0.693 18.107 19.000 -0.334 0.000 0.827 188 A HN 0.478 nan 8.150 nan 0.000 0.443 189 L N -1.416 119.536 121.223 -0.452 0.000 2.131 189 L HA -0.180 4.161 4.340 0.001 0.000 0.210 189 L C 2.814 179.509 176.870 -0.292 0.000 1.092 189 L CA 1.655 56.277 54.840 -0.363 0.000 0.759 189 L CB -0.451 41.390 42.059 -0.364 0.000 0.903 189 L HN 0.406 nan 8.230 nan 0.000 0.435 190 R N -0.038 120.284 120.500 -0.297 0.000 2.062 190 R HA -0.101 4.240 4.340 0.001 0.000 0.229 190 R C 2.462 178.590 176.300 -0.288 0.000 1.128 190 R CA 1.288 57.217 56.100 -0.285 0.000 0.960 190 R CB -0.259 29.934 30.300 -0.179 0.000 0.855 190 R HN 0.326 nan 8.270 nan 0.000 0.432 191 A N 0.794 123.432 122.820 -0.303 0.000 1.883 191 A HA -0.175 4.145 4.320 0.001 0.000 0.217 191 A C 2.344 179.799 177.584 -0.216 0.000 1.186 191 A CA 1.887 53.762 52.037 -0.271 0.000 0.624 191 A CB -1.006 17.552 19.000 -0.737 0.000 0.822 191 A HN 0.502 nan 8.150 nan 0.000 0.444 192 A N -1.041 121.613 122.820 -0.277 0.000 1.917 192 A HA -0.267 4.054 4.320 0.001 0.000 0.219 192 A C 2.058 179.703 177.584 0.101 0.000 1.182 192 A CA 2.419 54.425 52.037 -0.052 0.000 0.633 192 A CB -0.933 17.998 19.000 -0.115 0.000 0.819 192 A HN 0.789 nan 8.150 nan 0.000 0.448 193 H N -1.085 117.948 119.070 -0.062 0.000 2.357 193 H HA -0.107 4.450 4.556 0.001 0.000 0.301 193 H C 1.847 177.186 175.328 0.018 0.000 1.082 193 H CA 2.189 58.231 56.048 -0.010 0.000 1.342 193 H CB -0.365 29.313 29.762 -0.140 0.000 1.389 193 H HN 0.757 nan 8.280 nan 0.000 0.511 194 H N -0.892 118.231 119.070 0.088 0.000 2.495 194 H HA -0.005 4.552 4.556 0.001 0.000 0.287 194 H C 2.158 177.541 175.328 0.092 0.000 1.033 194 H CA 0.657 56.776 56.048 0.119 0.000 1.307 194 H CB 0.294 30.212 29.762 0.260 0.000 1.401 194 H HN 0.283 nan 8.280 nan 0.000 0.555 195 L N 0.021 121.209 121.223 -0.057 0.000 2.109 195 L HA -0.138 4.203 4.340 0.001 0.000 0.207 195 L C 2.001 178.759 176.870 -0.186 0.000 1.086 195 L CA 0.707 55.242 54.840 -0.508 0.000 0.760 195 L CB -0.089 41.570 42.059 -0.666 0.000 0.910 195 L HN 0.303 nan 8.230 nan 0.000 0.437 196 L N -0.748 120.455 121.223 -0.035 0.000 2.093 196 L HA -0.203 4.137 4.340 0.001 0.000 0.208 196 L C 2.385 179.252 176.870 -0.004 0.000 1.085 196 L CA 0.967 55.815 54.840 0.013 0.000 0.755 196 L CB -0.216 41.825 42.059 -0.030 0.000 0.904 196 L HN 0.247 nan 8.230 nan 0.000 0.435 197 L N -0.908 120.277 121.223 -0.064 0.000 2.141 197 L HA -0.126 4.214 4.340 0.001 0.000 0.209 197 L C 2.580 179.453 176.870 0.005 0.000 1.094 197 L CA 1.231 56.039 54.840 -0.053 0.000 0.763 197 L CB -0.988 41.069 42.059 -0.004 0.000 0.908 197 L HN 0.314 nan 8.230 nan 0.000 0.437 198 G N -1.295 107.572 108.800 0.112 0.000 2.404 198 G HA2 -0.296 3.665 3.960 0.001 0.000 0.215 198 G HA3 -0.296 3.665 3.960 0.001 0.000 0.215 198 G C 1.506 176.582 174.900 0.293 0.000 1.174 198 G CA 0.724 45.982 45.100 0.264 0.000 0.780 198 G HN 0.449 nan 8.290 nan 0.000 0.537 199 H N 1.331 120.447 119.070 0.076 0.000 2.290 199 H HA -0.114 4.443 4.556 0.001 0.000 0.298 199 H C 2.708 178.056 175.328 0.033 0.000 1.087 199 H CA 1.989 58.089 56.048 0.086 0.000 1.291 199 H CB -0.690 29.072 29.762 0.000 0.000 1.369 199 H HN 0.268 nan 8.280 nan 0.000 0.492 200 G N 1.453 110.143 108.800 -0.183 0.000 2.514 200 G HA2 -0.234 3.726 3.960 0.001 0.000 0.217 200 G HA3 -0.234 3.726 3.960 0.001 0.000 0.217 200 G C 2.130 176.884 174.900 -0.242 0.000 1.198 200 G CA 1.114 46.062 45.100 -0.254 0.000 0.780 200 G HN 0.392 nan 8.290 nan 0.000 0.565 201 L N 0.748 121.860 121.223 -0.186 0.000 2.042 201 L HA -0.114 4.227 4.340 0.001 0.000 0.210 201 L C 3.432 180.171 176.870 -0.218 0.000 1.076 201 L CA 1.146 55.858 54.840 -0.213 0.000 0.749 201 L CB -0.524 41.363 42.059 -0.287 0.000 0.893 201 L HN 0.324 nan 8.230 nan 0.000 0.432 202 A N -0.333 122.371 122.820 -0.193 0.000 1.933 202 A HA -0.128 4.193 4.320 0.001 0.000 0.218 202 A C 2.338 179.746 177.584 -0.292 0.000 1.175 202 A CA 1.623 53.493 52.037 -0.278 0.000 0.628 202 A CB -0.738 18.126 19.000 -0.226 0.000 0.814 202 A HN 0.212 nan 8.150 nan 0.000 0.444 203 V N 0.277 119.999 119.914 -0.320 0.000 2.343 203 V HA -0.270 3.850 4.120 0.001 0.000 0.247 203 V C 2.371 178.307 176.094 -0.263 0.000 1.051 203 V CA 2.271 64.376 62.300 -0.325 0.000 1.036 203 V CB -0.848 30.730 31.823 -0.409 0.000 0.654 203 V HN 0.661 nan 8.190 nan 0.000 0.451 204 E N 0.486 120.546 120.200 -0.233 0.000 2.072 204 E HA -0.135 4.215 4.350 0.001 0.000 0.191 204 E C 2.341 178.826 176.600 -0.192 0.000 0.985 204 E CA 1.213 57.501 56.400 -0.186 0.000 0.801 204 E CB -0.328 29.281 29.700 -0.151 0.000 0.750 204 E HN 0.598 nan 8.360 nan 0.000 0.452 205 A N 1.555 124.244 122.820 -0.218 0.000 1.873 205 A HA -0.142 4.179 4.320 0.001 0.000 0.215 205 A C 2.238 179.660 177.584 -0.269 0.000 1.186 205 A CA 0.948 52.849 52.037 -0.226 0.000 0.616 205 A CB -0.695 18.154 19.000 -0.253 0.000 0.823 205 A HN 0.106 nan 8.150 nan 0.000 0.442 206 L N -0.856 120.174 121.223 -0.323 0.000 1.990 206 L HA -0.244 4.097 4.340 0.001 0.000 0.213 206 L C 2.897 179.563 176.870 -0.340 0.000 1.072 206 L CA 1.716 56.315 54.840 -0.402 0.000 0.755 206 L CB -0.509 41.300 42.059 -0.417 0.000 0.889 206 L HN 0.362 nan 8.230 nan 0.000 0.432 207 R N -0.307 120.035 120.500 -0.262 0.000 2.152 207 R HA -0.106 4.234 4.340 0.001 0.000 0.232 207 R C 2.148 178.344 176.300 -0.174 0.000 1.117 207 R CA 1.246 57.222 56.100 -0.206 0.000 0.981 207 R CB -0.375 29.822 30.300 -0.171 0.000 0.870 207 R HN 0.371 nan 8.270 nan 0.000 0.451 208 A N 0.509 123.226 122.820 -0.173 0.000 2.167 208 A HA 0.134 4.454 4.320 0.001 0.000 0.214 208 A C 1.867 179.365 177.584 -0.144 0.000 1.151 208 A CA 1.100 53.054 52.037 -0.138 0.000 0.735 208 A CB 0.078 19.004 19.000 -0.124 0.000 0.802 208 A HN 0.304 nan 8.150 nan 0.000 0.467 209 A N -2.123 120.583 122.820 -0.190 0.000 2.348 209 A HA 0.473 4.794 4.320 0.001 0.000 0.224 209 A C 1.554 179.024 177.584 -0.190 0.000 1.227 209 A CA 0.999 52.923 52.037 -0.189 0.000 0.885 209 A CB -0.419 18.439 19.000 -0.236 0.000 0.933 209 A HN 1.665 nan 8.150 nan 0.000 0.506 210 G N -1.427 107.260 108.800 -0.187 0.000 2.176 210 G HA2 0.102 4.062 3.960 0.001 0.000 0.232 210 G HA3 0.102 4.062 3.960 0.001 0.000 0.232 210 G C 0.538 175.324 174.900 -0.190 0.000 0.986 210 G CA 0.050 45.055 45.100 -0.158 0.000 0.643 210 G HN 1.669 nan 8.290 nan 0.000 0.522 211 A N 0.420 123.049 122.820 -0.319 0.000 2.561 211 A HA 0.481 4.802 4.320 0.001 0.000 0.251 211 A C 1.458 178.942 177.584 -0.167 0.000 1.062 211 A CA 1.376 53.197 52.037 -0.359 0.000 0.761 211 A CB -0.026 18.568 19.000 -0.676 0.000 0.986 211 A HN 0.576 nan 8.150 nan 0.000 0.510 212 R N 1.318 121.770 120.500 -0.081 0.000 2.075 212 R HA -0.043 4.297 4.340 0.001 0.000 0.232 212 R C 0.238 176.472 176.300 -0.111 0.000 1.126 212 R CA 1.213 57.256 56.100 -0.096 0.000 0.963 212 R CB 0.012 30.250 30.300 -0.103 0.000 0.858 212 R HN 0.737 nan 8.270 nan 0.000 0.435 213 R N 0.449 120.888 120.500 -0.102 0.000 2.473 213 R HA 0.327 4.668 4.340 0.001 0.000 0.303 213 R C -1.496 174.894 176.300 0.149 0.000 1.002 213 R CA -0.378 55.698 56.100 -0.039 0.000 0.884 213 R CB 2.521 32.654 30.300 -0.279 0.000 1.173 213 R HN -0.114 nan 8.270 nan 0.000 0.464 214 V N 2.148 122.068 119.914 0.011 0.000 2.483 214 V HA 0.870 4.990 4.120 0.001 0.000 0.295 214 V C 0.544 176.310 176.094 -0.548 0.000 1.035 214 V CA -0.449 61.771 62.300 -0.134 0.000 0.896 214 V CB 1.718 33.421 31.823 -0.200 0.000 0.986 214 V HN 0.974 nan 8.190 nan 0.000 0.447 215 G N 2.986 111.333 108.800 -0.755 0.000 2.650 215 G HA2 0.742 4.703 3.960 0.001 0.000 0.310 215 G HA3 0.742 4.703 3.960 0.001 0.000 0.310 215 G C -1.765 172.879 174.900 -0.427 0.000 1.270 215 G CA -0.415 44.010 45.100 -1.125 0.000 0.810 215 G HN 0.704 nan 8.290 nan 0.000 0.493 216 I N -0.939 119.468 120.570 -0.272 0.000 3.006 216 I HA 0.632 4.802 4.170 0.001 0.000 0.306 216 I C -1.317 174.848 176.117 0.079 0.000 1.250 216 I CA -1.114 60.169 61.300 -0.030 0.000 0.996 216 I CB 2.412 40.334 38.000 -0.129 0.000 1.261 216 I HN 0.334 nan 8.210 nan 0.000 0.442 217 V N 6.668 126.630 119.914 0.081 0.000 2.350 217 V HA 0.466 4.587 4.120 0.001 0.000 0.285 217 V C -0.246 175.847 176.094 -0.003 0.000 1.014 217 V CA -0.416 61.941 62.300 0.095 0.000 0.831 217 V CB 1.226 33.097 31.823 0.080 0.000 1.000 217 V HN 0.420 nan 8.190 nan 0.000 0.433 218 L N 3.787 125.013 121.223 0.005 0.000 2.334 218 L HA 0.598 4.939 4.340 0.001 0.000 0.273 218 L C -0.049 176.673 176.870 -0.247 0.000 1.013 218 L CA -0.717 54.007 54.840 -0.194 0.000 0.816 218 L CB 2.090 43.950 42.059 -0.332 0.000 1.278 218 L HN 0.678 nan 8.230 nan 0.000 0.431 219 N N 0.899 119.398 118.700 -0.334 0.000 2.498 219 N HA 0.520 5.261 4.740 0.001 0.000 0.287 219 N C -1.556 173.670 175.510 -0.473 0.000 1.097 219 N CA -0.077 52.836 53.050 -0.228 0.000 0.973 219 N CB 0.807 39.197 38.487 -0.162 0.000 1.153 219 N HN 0.266 nan 8.380 nan 0.000 0.472 220 F N 1.161 121.125 119.950 0.023 0.000 2.556 220 F HA 0.677 5.204 4.527 0.001 0.000 0.314 220 F C -0.185 175.631 175.800 0.026 0.000 1.106 220 F CA -0.906 57.117 58.000 0.039 0.000 0.911 220 F CB 2.435 41.512 39.000 0.129 0.000 1.190 220 F HN 0.621 nan 8.300 nan 0.000 0.448 221 A N 4.174 127.070 122.820 0.128 0.000 2.702 221 A HA 0.679 5.000 4.320 0.001 0.000 0.305 221 A C -2.913 174.730 177.584 0.099 0.000 1.213 221 A CA -1.692 50.345 52.037 -0.001 0.000 0.745 221 A CB 0.203 18.965 19.000 -0.397 0.000 1.161 221 A HN 0.375 nan 8.150 nan 0.000 0.445 222 P HA 0.255 nan 4.420 nan 0.000 0.265 222 P C -0.026 177.410 177.300 0.228 0.000 1.187 222 P CA 0.496 63.750 63.100 0.258 0.000 0.766 222 P CB 0.906 32.872 31.700 0.443 0.000 0.820 223 A N 3.278 126.114 122.820 0.026 0.000 2.317 223 A HA 0.689 5.009 4.320 0.001 0.000 0.327 223 A C -1.312 176.165 177.584 -0.180 0.000 1.178 223 A CA -0.292 51.768 52.037 0.038 0.000 0.817 223 A CB 0.452 19.466 19.000 0.024 0.000 1.189 223 A HN 0.436 nan 8.150 nan 0.000 0.489 224 Y N 0.194 120.506 120.300 0.019 0.000 2.570 224 Y HA 0.772 5.323 4.550 0.001 0.000 0.345 224 Y C 0.701 176.591 175.900 -0.017 0.000 1.014 224 Y CA -0.109 57.991 58.100 -0.000 0.000 1.063 224 Y CB 2.757 41.208 38.460 -0.015 0.000 1.272 224 Y HN 1.215 nan 8.280 nan 0.000 0.477 225 G N 0.223 109.093 108.800 0.117 0.000 2.340 225 G HA2 0.197 4.158 3.960 0.001 0.000 0.298 225 G HA3 0.197 4.158 3.960 0.001 0.000 0.298 225 G C -0.532 174.385 174.900 0.028 0.000 1.498 225 G CA -0.796 44.336 45.100 0.053 0.000 0.847 225 G HN 0.538 nan 8.290 nan 0.000 0.594 226 E N -0.422 119.788 120.200 0.017 0.000 2.051 226 E HA -0.053 4.297 4.350 0.001 0.000 0.192 226 E C 0.408 177.006 176.600 -0.003 0.000 0.991 226 E CA 1.128 57.533 56.400 0.009 0.000 0.799 226 E CB 0.170 29.874 29.700 0.006 0.000 0.748 226 E HN 0.426 nan 8.360 nan 0.000 0.449 227 D N 1.009 121.403 120.400 -0.011 0.000 2.316 227 D HA 0.034 4.675 4.640 0.001 0.000 0.245 227 D C -1.522 174.761 176.300 -0.028 0.000 1.171 227 D CA -2.171 51.817 54.000 -0.020 0.000 0.856 227 D CB 1.210 41.995 40.800 -0.024 0.000 1.090 227 D HN -0.171 nan 8.370 nan 0.000 0.476 228 P HA -0.150 nan 4.420 nan 0.000 0.218 228 P C 0.604 177.882 177.300 -0.037 0.000 1.149 228 P CA 0.938 64.017 63.100 -0.035 0.000 0.817 228 P CB 0.360 32.042 31.700 -0.030 0.000 0.785 229 E N 0.572 120.752 120.200 -0.034 0.000 2.152 229 E HA -0.072 4.278 4.350 0.001 0.000 0.192 229 E C 2.125 178.698 176.600 -0.046 0.000 0.983 229 E CA 1.212 57.591 56.400 -0.036 0.000 0.818 229 E CB -0.987 28.694 29.700 -0.032 0.000 0.758 229 E HN 0.245 nan 8.360 nan 0.000 0.467 230 A N 1.575 124.364 122.820 -0.052 0.000 1.930 230 A HA -0.023 4.298 4.320 0.001 0.000 0.215 230 A C 2.598 180.140 177.584 -0.069 0.000 1.176 230 A CA 0.827 52.821 52.037 -0.071 0.000 0.632 230 A CB -0.548 18.407 19.000 -0.075 0.000 0.819 230 A HN 0.112 nan 8.150 nan 0.000 0.445 231 V N 0.506 120.386 119.914 -0.056 0.000 2.343 231 V HA -0.263 3.858 4.120 0.001 0.000 0.247 231 V C 2.316 178.389 176.094 -0.034 0.000 1.051 231 V CA 2.530 64.798 62.300 -0.053 0.000 1.036 231 V CB -0.727 31.054 31.823 -0.071 0.000 0.654 231 V HN 0.710 nan 8.190 nan 0.000 0.451 232 D N -0.327 120.053 120.400 -0.034 0.000 2.117 232 D HA -0.145 4.496 4.640 0.001 0.000 0.198 232 D C 2.039 178.337 176.300 -0.002 0.000 0.982 232 D CA 1.242 55.232 54.000 -0.016 0.000 0.828 232 D CB -0.022 40.765 40.800 -0.021 0.000 0.967 232 D HN 0.185 nan 8.370 nan 0.000 0.464 233 V N 0.632 120.529 119.914 -0.029 0.000 2.332 233 V HA -0.247 3.874 4.120 0.001 0.000 0.248 233 V C 2.506 178.591 176.094 -0.015 0.000 1.055 233 V CA 1.836 64.104 62.300 -0.054 0.000 1.038 233 V CB -0.871 30.889 31.823 -0.105 0.000 0.651 233 V HN 0.348 nan 8.190 nan 0.000 0.450 234 A N -0.051 122.777 122.820 0.014 0.000 1.902 234 A HA -0.306 4.015 4.320 0.001 0.000 0.217 234 A C 2.052 179.791 177.584 0.259 0.000 1.181 234 A CA 2.243 54.371 52.037 0.152 0.000 0.623 234 A CB -0.724 18.334 19.000 0.097 0.000 0.818 234 A HN 0.614 nan 8.150 nan 0.000 0.443 235 D N -0.960 119.526 120.400 0.144 0.000 2.144 235 D HA -0.120 4.520 4.640 0.001 0.000 0.200 235 D C 2.144 178.546 176.300 0.169 0.000 0.978 235 D CA 1.183 55.271 54.000 0.145 0.000 0.833 235 D CB -0.086 40.754 40.800 0.067 0.000 0.961 235 D HN 0.415 nan 8.370 nan 0.000 0.470 236 R N -1.305 119.282 120.500 0.144 0.000 2.148 236 R HA -0.107 4.233 4.340 0.001 0.000 0.223 236 R C 1.875 178.340 176.300 0.275 0.000 1.088 236 R CA 0.887 57.090 56.100 0.172 0.000 0.985 236 R CB -0.270 30.100 30.300 0.118 0.000 0.880 236 R HN 0.347 nan 8.270 nan 0.000 0.451 237 Y N 0.372 120.706 120.300 0.057 0.000 2.176 237 Y HA -0.125 4.426 4.550 0.001 0.000 0.291 237 Y C 1.833 177.793 175.900 0.101 0.000 1.122 237 Y CA 1.535 59.625 58.100 -0.016 0.000 1.128 237 Y CB -0.311 37.980 38.460 -0.282 0.000 1.005 237 Y HN 0.042 nan 8.280 nan 0.000 0.509 238 H N -0.789 118.268 119.070 -0.023 0.000 2.317 238 H HA 0.015 4.572 4.556 0.001 0.000 0.304 238 H C 1.765 176.972 175.328 -0.200 0.000 1.067 238 H CA 2.077 57.902 56.048 -0.372 0.000 1.352 238 H CB -0.057 29.531 29.762 -0.290 0.000 1.398 238 H HN 0.434 nan 8.280 nan 0.000 0.510 239 N N -0.243 118.562 118.700 0.176 0.000 2.349 239 N HA 0.045 4.786 4.740 0.001 0.000 0.180 239 N C 1.507 177.193 175.510 0.293 0.000 1.024 239 N CA 0.212 53.421 53.050 0.265 0.000 0.869 239 N CB 0.311 39.028 38.487 0.384 0.000 1.022 239 N HN 0.095 nan 8.380 nan 0.000 0.433 240 R N -0.240 120.414 120.500 0.256 0.000 2.246 240 R HA 0.050 4.390 4.340 0.001 0.000 0.199 240 R C 1.323 177.740 176.300 0.195 0.000 0.984 240 R CA 0.133 56.362 56.100 0.214 0.000 1.015 240 R CB -0.150 30.239 30.300 0.149 0.000 0.930 240 R HN 0.303 nan 8.270 nan 0.000 0.475 241 Y N 0.097 120.491 120.300 0.157 0.000 2.241 241 Y HA -0.266 4.285 4.550 0.001 0.000 0.286 241 Y C 1.207 177.023 175.900 -0.139 0.000 1.166 241 Y CA 1.807 59.957 58.100 0.084 0.000 1.203 241 Y CB 0.049 38.590 38.460 0.134 0.000 0.977 241 Y HN -0.071 nan 8.280 nan 0.000 0.529 242 F N -2.865 117.221 119.950 0.227 0.000 2.637 242 F HA 0.068 4.595 4.527 0.001 0.000 0.284 242 F C 1.972 177.775 175.800 0.004 0.000 1.105 242 F CA 0.054 58.106 58.000 0.086 0.000 1.356 242 F CB -0.379 38.674 39.000 0.089 0.000 1.096 242 F HN -0.128 nan 8.300 nan 0.000 0.616 243 L N 0.215 121.571 121.223 0.221 0.000 2.017 243 L HA -0.221 4.119 4.340 0.001 0.000 0.208 243 L C 1.841 178.765 176.870 0.090 0.000 1.073 243 L CA 1.718 56.671 54.840 0.188 0.000 0.745 243 L CB -0.350 41.878 42.059 0.281 0.000 0.894 243 L HN 0.078 nan 8.230 nan 0.000 0.432 244 D N -0.268 120.154 120.400 0.037 0.000 2.092 244 D HA -0.160 4.480 4.640 0.001 0.000 0.193 244 D C -0.521 175.732 176.300 -0.078 0.000 0.994 244 D CA 1.444 55.429 54.000 -0.025 0.000 0.828 244 D CB -1.626 39.149 40.800 -0.042 0.000 0.963 244 D HN 0.295 nan 8.370 nan 0.000 0.450 245 P HA -0.059 nan 4.420 nan 0.000 0.216 245 P C 1.616 178.871 177.300 -0.074 0.000 1.150 245 P CA 0.825 63.780 63.100 -0.241 0.000 0.837 245 P CB 0.015 31.431 31.700 -0.473 0.000 0.786 246 I N -1.987 118.583 120.570 0.000 0.000 2.676 246 I HA -0.137 4.033 4.170 0.001 0.000 0.259 246 I C 1.471 177.721 176.117 0.220 0.000 1.194 246 I CA 0.740 62.103 61.300 0.106 0.000 1.473 246 I CB -0.252 37.789 38.000 0.070 0.000 1.096 246 I HN -0.070 nan 8.210 nan 0.000 0.443 247 L N 0.212 121.507 121.223 0.120 0.000 2.567 247 L HA 0.233 4.573 4.340 0.001 0.000 0.225 247 L C 1.522 178.421 176.870 0.048 0.000 1.119 247 L CA 0.741 55.622 54.840 0.069 0.000 0.871 247 L CB -0.688 41.346 42.059 -0.041 0.000 1.036 247 L HN 0.359 nan 8.230 nan 0.000 0.459 248 G N -0.001 108.821 108.800 0.037 0.000 2.149 248 G HA2 -0.324 3.636 3.960 0.001 0.000 0.235 248 G HA3 -0.324 3.636 3.960 0.001 0.000 0.235 248 G C 1.098 175.991 174.900 -0.013 0.000 1.018 248 G CA 0.366 45.476 45.100 0.016 0.000 0.728 248 G HN 0.402 nan 8.290 nan 0.000 0.508 249 R N -0.087 120.394 120.500 -0.033 0.000 2.432 249 R HA 0.470 4.811 4.340 0.001 0.000 0.260 249 R C 1.544 177.815 176.300 -0.048 0.000 0.935 249 R CA 0.430 56.509 56.100 -0.035 0.000 1.080 249 R CB 0.542 30.822 30.300 -0.032 0.000 1.155 249 R HN 1.474 nan 8.270 nan 0.000 0.531 250 G N 0.899 109.647 108.800 -0.087 0.000 2.750 250 G HA2 -0.330 3.631 3.960 0.001 0.000 0.228 250 G HA3 -0.330 3.631 3.960 0.001 0.000 0.228 250 G C -0.711 174.083 174.900 -0.176 0.000 1.367 250 G CA -0.680 44.347 45.100 -0.122 0.000 0.871 250 G HN 0.151 nan 8.290 nan 0.000 0.560 251 Y N 2.069 122.293 120.300 -0.127 0.000 2.326 251 Y HA 0.455 5.006 4.550 0.001 0.000 0.333 251 Y C -0.441 175.371 175.900 -0.145 0.000 1.240 251 Y CA -0.435 57.529 58.100 -0.226 0.000 1.365 251 Y CB 0.480 38.774 38.460 -0.277 0.000 1.289 251 Y HN 0.565 nan 8.280 nan 0.000 0.548 252 P HA 0.041 nan 4.420 nan 0.000 0.277 252 P C -0.972 176.363 177.300 0.058 0.000 1.271 252 P CA -0.670 62.457 63.100 0.045 0.000 0.795 252 P CB 0.606 32.344 31.700 0.064 0.000 1.101 253 E N 0.561 120.789 120.200 0.047 0.000 2.415 253 E HA 0.034 4.384 4.350 0.001 0.000 0.260 253 E C -0.074 176.562 176.600 0.060 0.000 1.016 253 E CA -0.193 56.231 56.400 0.040 0.000 0.924 253 E CB 0.092 29.806 29.700 0.023 0.000 0.961 253 E HN 0.271 nan 8.360 nan 0.000 0.459 254 S N 5.426 121.166 115.700 0.068 0.000 2.702 254 S HA -0.020 4.450 4.470 0.001 0.000 0.314 254 S C -1.326 173.314 174.600 0.066 0.000 1.244 254 S CA -0.854 57.422 58.200 0.126 0.000 1.058 254 S CB 0.640 63.909 63.200 0.115 0.000 0.783 254 S HN 0.563 nan 8.310 nan 0.000 0.503 255 P HA 0.112 nan 4.420 nan 0.000 0.245 255 P C -0.154 176.868 177.300 -0.462 0.000 1.212 255 P CA 0.330 63.277 63.100 -0.254 0.000 0.774 255 P CB 0.047 31.537 31.700 -0.350 0.000 0.999 256 F N 0.166 120.067 119.950 -0.081 0.000 2.461 256 F HA 0.398 4.925 4.527 0.001 0.000 0.332 256 F C 1.221 176.971 175.800 -0.084 0.000 1.073 256 F CA -0.749 57.180 58.000 -0.118 0.000 1.017 256 F CB 0.604 39.501 39.000 -0.170 0.000 1.301 256 F HN -0.363 nan 8.300 nan 0.000 0.492 257 Q N 1.208 121.092 119.800 0.141 0.000 2.462 257 Q HA 0.237 4.578 4.340 0.001 0.000 0.247 257 Q C -1.675 174.342 176.000 0.028 0.000 1.044 257 Q CA -0.572 55.264 55.803 0.055 0.000 0.803 257 Q CB 1.043 29.800 28.738 0.032 0.000 1.190 257 Q HN 0.515 nan 8.270 nan 0.000 0.507 258 D N 3.239 123.644 120.400 0.008 0.000 4.669 258 D HA -0.076 4.565 4.640 0.001 0.000 0.240 258 D C -2.629 173.632 176.300 -0.066 0.000 1.111 258 D CA 0.405 54.390 54.000 -0.026 0.000 1.179 258 D CB -0.089 40.697 40.800 -0.023 0.000 0.750 258 D HN 0.457 nan 8.370 nan 0.000 0.360 259 P HA 0.323 nan 4.420 nan 0.000 0.172 259 P C -2.795 174.436 177.300 -0.115 0.000 1.796 259 P CA -0.968 62.052 63.100 -0.132 0.000 1.494 259 P CB 1.193 32.779 31.700 -0.190 0.000 1.425 260 P HA 0.050 nan 4.420 nan 0.000 0.255 260 P C -1.507 175.734 177.300 -0.098 0.000 1.173 260 P CA -0.080 62.971 63.100 -0.082 0.000 0.780 260 P CB 0.038 31.698 31.700 -0.067 0.000 0.758 261 P HA 0.386 nan 4.420 nan 0.000 0.297 261 P C -0.482 176.764 177.300 -0.090 0.000 1.303 261 P CA -0.490 62.543 63.100 -0.112 0.000 0.753 261 P CB 0.871 32.508 31.700 -0.105 0.000 1.281 262 A N -0.626 122.136 122.820 -0.096 0.000 2.263 262 A HA 0.548 4.869 4.320 0.001 0.000 0.318 262 A C -1.362 176.199 177.584 -0.039 0.000 1.111 262 A CA -1.247 50.750 52.037 -0.067 0.000 0.901 262 A CB -0.992 17.957 19.000 -0.084 0.000 1.280 262 A HN 0.359 nan 8.150 nan 0.000 0.503 263 P HA -0.222 nan 4.420 nan 0.000 0.216 263 P C 0.565 177.863 177.300 -0.004 0.000 1.062 263 P CA 2.457 65.554 63.100 -0.005 0.000 0.995 263 P CB 0.044 31.749 31.700 0.008 0.000 0.762 264 I N -5.604 114.970 120.570 0.006 0.000 5.143 264 I HA 0.075 4.245 4.170 0.001 0.000 0.390 264 I C 0.281 176.421 176.117 0.038 0.000 1.080 264 I CA -0.147 61.163 61.300 0.016 0.000 1.551 264 I CB 0.611 38.623 38.000 0.020 0.000 2.242 264 I HN -0.187 nan 8.210 nan 0.000 0.724 265 L N 1.140 122.388 121.223 0.042 0.000 4.429 265 L HA -0.312 4.029 4.340 0.001 0.000 0.422 265 L C 1.599 178.527 176.870 0.097 0.000 1.149 265 L CA 0.561 55.453 54.840 0.087 0.000 0.972 265 L CB -1.591 40.525 42.059 0.095 0.000 2.059 265 L HN 0.416 nan 8.230 nan 0.000 0.870 266 S N -0.225 115.511 115.700 0.060 0.000 2.400 266 S HA -0.136 4.335 4.470 0.001 0.000 0.232 266 S C 1.987 176.613 174.600 0.044 0.000 1.025 266 S CA 1.582 59.808 58.200 0.044 0.000 0.993 266 S CB 0.085 63.303 63.200 0.030 0.000 0.808 266 S HN 0.439 nan 8.310 nan 0.000 0.478 267 R N 1.016 121.548 120.500 0.054 0.000 2.062 267 R HA 0.067 4.408 4.340 0.001 0.000 0.226 267 R C 1.886 178.224 176.300 0.063 0.000 1.125 267 R CA 1.412 57.543 56.100 0.052 0.000 0.966 267 R CB -1.409 28.924 30.300 0.054 0.000 0.861 267 R HN 0.421 nan 8.270 nan 0.000 0.433 268 D N 1.026 121.488 120.400 0.102 0.000 2.133 268 D HA -0.136 4.505 4.640 0.001 0.000 0.195 268 D C 2.072 178.406 176.300 0.056 0.000 0.997 268 D CA 0.940 55.011 54.000 0.117 0.000 0.840 268 D CB -0.227 40.734 40.800 0.268 0.000 0.947 268 D HN 0.105 nan 8.370 nan 0.000 0.452 269 L N 0.447 121.706 121.223 0.060 0.000 2.017 269 L HA -0.171 4.169 4.340 0.001 0.000 0.208 269 L C 2.453 179.315 176.870 -0.013 0.000 1.073 269 L CA 1.308 56.142 54.840 -0.011 0.000 0.745 269 L CB -0.426 41.617 42.059 -0.026 0.000 0.894 269 L HN 0.092 nan 8.230 nan 0.000 0.432 270 E N 0.426 120.630 120.200 0.006 0.000 2.153 270 E HA -0.218 4.132 4.350 0.001 0.000 0.194 270 E C 2.029 178.631 176.600 0.003 0.000 0.988 270 E CA 1.054 57.458 56.400 0.007 0.000 0.811 270 E CB 0.047 29.754 29.700 0.012 0.000 0.746 270 E HN 0.465 nan 8.360 nan 0.000 0.466 271 A N 0.219 123.039 122.820 -0.000 0.000 2.167 271 A HA 0.050 4.370 4.320 0.001 0.000 0.214 271 A C 1.862 179.429 177.584 -0.029 0.000 1.151 271 A CA 0.321 52.348 52.037 -0.017 0.000 0.735 271 A CB -0.150 18.842 19.000 -0.013 0.000 0.802 271 A HN 0.303 nan 8.150 nan 0.000 0.467 272 I N -0.862 119.699 120.570 -0.014 0.000 2.867 272 I HA 0.012 4.183 4.170 0.001 0.000 0.265 272 I C 1.851 178.011 176.117 0.071 0.000 1.162 272 I CA 0.580 61.889 61.300 0.014 0.000 1.471 272 I CB 0.116 38.099 38.000 -0.029 0.000 1.123 272 I HN 0.245 nan 8.210 nan 0.000 0.440 273 A N 2.179 125.025 122.820 0.043 0.000 2.958 273 A HA 0.165 4.485 4.320 0.001 0.000 0.247 273 A C -0.054 177.577 177.584 0.079 0.000 1.679 273 A CA -0.206 51.881 52.037 0.083 0.000 1.345 273 A CB -0.780 18.254 19.000 0.057 0.000 1.013 273 A HN 0.091 nan 8.150 nan 0.000 0.641 274 R N 0.960 121.488 120.500 0.046 0.000 2.248 274 R HA 0.297 4.638 4.340 0.001 0.000 0.328 274 R C -2.903 173.384 176.300 -0.020 0.000 1.067 274 R CA -2.749 53.335 56.100 -0.026 0.000 0.924 274 R CB -0.659 29.560 30.300 -0.134 0.000 1.013 274 R HN 0.198 nan 8.270 nan 0.000 0.454 275 P HA -0.045 nan 4.420 nan 0.000 0.261 275 P C -0.221 176.869 177.300 -0.351 0.000 1.173 275 P CA 0.563 63.648 63.100 -0.026 0.000 0.760 275 P CB 0.453 32.181 31.700 0.046 0.000 0.783 276 L N 2.656 123.315 121.223 -0.940 0.000 2.331 276 L HA 0.369 4.709 4.340 0.001 0.000 0.268 276 L C 1.130 177.351 176.870 -1.082 0.000 1.015 276 L CA -0.637 53.545 54.840 -1.095 0.000 0.807 276 L CB 1.111 42.382 42.059 -1.313 0.000 1.293 276 L HN 0.272 nan 8.230 nan 0.000 0.451 277 D N 0.089 120.136 120.400 -0.589 0.000 2.327 277 D HA 0.126 4.766 4.640 0.001 0.000 0.205 277 D C -0.302 176.056 176.300 0.095 0.000 0.989 277 D CA 1.000 54.888 54.000 -0.187 0.000 0.873 277 D CB 0.668 41.489 40.800 0.033 0.000 0.955 277 D HN 0.307 nan 8.370 nan 0.000 0.515 278 F N -1.046 118.878 119.950 -0.043 0.000 2.741 278 F HA 0.484 5.011 4.527 0.001 0.000 0.311 278 F C -2.124 173.847 175.800 0.284 0.000 1.149 278 F CA -1.395 56.765 58.000 0.265 0.000 0.930 278 F CB 1.415 40.735 39.000 0.533 0.000 1.312 278 F HN -0.316 nan 8.300 nan 0.000 0.450 279 L N 2.267 123.865 121.223 0.625 0.000 2.356 279 L HA 0.806 5.146 4.340 0.001 0.000 0.277 279 L C -0.302 176.941 176.870 0.621 0.000 0.996 279 L CA -0.677 54.464 54.840 0.503 0.000 0.822 279 L CB 1.488 43.850 42.059 0.505 0.000 1.256 279 L HN 1.098 nan 8.230 nan 0.000 0.413 280 G N 4.329 113.452 108.800 0.538 0.000 2.325 280 G HA2 0.504 4.464 3.960 0.001 0.000 0.298 280 G HA3 0.504 4.464 3.960 0.001 0.000 0.298 280 G C -0.907 174.198 174.900 0.342 0.000 1.134 280 G CA -0.276 45.096 45.100 0.452 0.000 0.876 280 G HN 0.389 nan 8.290 nan 0.000 0.452 281 V N 3.385 123.476 119.914 0.296 0.000 2.384 281 V HA 0.330 4.451 4.120 0.001 0.000 0.287 281 V C -0.683 175.564 176.094 0.256 0.000 1.020 281 V CA -1.153 61.357 62.300 0.349 0.000 0.850 281 V CB 1.514 33.499 31.823 0.270 0.000 0.987 281 V HN 0.650 nan 8.190 nan 0.000 0.436 282 N N 3.679 122.552 118.700 0.288 0.000 2.417 282 N HA 0.549 5.289 4.740 0.001 0.000 0.274 282 N C -1.252 174.445 175.510 0.312 0.000 0.987 282 N CA -0.370 52.799 53.050 0.199 0.000 0.912 282 N CB 1.690 40.266 38.487 0.148 0.000 1.177 282 N HN 0.767 nan 8.380 nan 0.000 0.490 283 Y N 1.879 122.210 120.300 0.052 0.000 2.492 283 Y HA 0.425 4.976 4.550 0.001 0.000 0.346 283 Y C -0.928 174.952 175.900 -0.033 0.000 0.997 283 Y CA -0.524 57.647 58.100 0.119 0.000 1.025 283 Y CB 1.010 39.559 38.460 0.149 0.000 1.263 283 Y HN 0.555 nan 8.280 nan 0.000 0.454 284 Y N 2.575 122.431 120.300 -0.740 0.000 2.619 284 Y HA 0.750 5.300 4.550 0.001 0.000 0.273 284 Y C 0.292 175.859 175.900 -0.556 0.000 1.175 284 Y CA 0.255 58.105 58.100 -0.417 0.000 1.157 284 Y CB 1.090 39.418 38.460 -0.221 0.000 1.329 284 Y HN 0.724 nan 8.280 nan 0.000 0.503 285 A N 0.090 122.506 122.820 -0.673 0.000 2.567 285 A HA 0.591 4.912 4.320 0.001 0.000 0.291 285 A C -3.032 174.485 177.584 -0.112 0.000 1.048 285 A CA -1.107 50.780 52.037 -0.250 0.000 0.661 285 A CB 0.630 19.649 19.000 0.032 0.000 1.288 285 A HN -0.165 nan 8.150 nan 0.000 0.424 286 P HA 0.646 nan 4.420 nan 0.000 0.297 286 P C -0.767 176.592 177.300 0.099 0.000 1.307 286 P CA -0.317 62.925 63.100 0.237 0.000 0.773 286 P CB 1.284 33.199 31.700 0.358 0.000 1.265 287 V N -2.780 117.217 119.914 0.138 0.000 2.623 287 V HA 0.587 4.707 4.120 0.001 0.000 0.304 287 V C -0.308 175.894 176.094 0.181 0.000 1.054 287 V CA -1.009 61.372 62.300 0.134 0.000 0.882 287 V CB 1.871 33.757 31.823 0.103 0.000 1.002 287 V HN 0.305 nan 8.190 nan 0.000 0.424 288 R N 2.646 123.244 120.500 0.164 0.000 2.297 288 R HA 0.802 5.142 4.340 0.001 0.000 0.308 288 R C -0.752 175.589 176.300 0.068 0.000 1.029 288 R CA -0.507 55.665 56.100 0.120 0.000 0.929 288 R CB 1.739 32.091 30.300 0.086 0.000 1.046 288 R HN 0.698 nan 8.270 nan 0.000 0.461 289 V N 1.133 121.051 119.914 0.006 0.000 2.962 289 V HA 0.817 4.938 4.120 0.001 0.000 0.313 289 V C -0.587 175.464 176.094 -0.071 0.000 1.099 289 V CA -0.724 61.512 62.300 -0.106 0.000 0.971 289 V CB 2.271 33.976 31.823 -0.197 0.000 1.028 289 V HN 0.932 nan 8.190 nan 0.000 0.430 290 A N 4.913 127.674 122.820 -0.098 0.000 2.527 290 A HA 0.996 5.316 4.320 0.001 0.000 0.293 290 A C -3.010 174.527 177.584 -0.077 0.000 1.117 290 A CA -1.783 50.218 52.037 -0.059 0.000 0.723 290 A CB 2.226 21.210 19.000 -0.027 0.000 1.313 290 A HN 0.553 nan 8.150 nan 0.000 0.411 291 P HA 0.427 nan 4.420 nan 0.000 0.271 291 P C 0.072 177.345 177.300 -0.045 0.000 1.216 291 P CA 0.417 63.484 63.100 -0.054 0.000 0.776 291 P CB 1.449 33.127 31.700 -0.037 0.000 0.881 292 G N 1.124 109.894 108.800 -0.049 0.000 2.921 292 G HA2 0.734 4.694 3.960 0.001 0.000 0.291 292 G HA3 0.734 4.694 3.960 0.001 0.000 0.291 292 G C -0.953 173.933 174.900 -0.024 0.000 1.370 292 G CA -0.543 44.538 45.100 -0.031 0.000 0.847 292 G HN 0.636 nan 8.290 nan 0.000 0.532 293 T N -3.569 110.980 114.554 -0.009 0.000 2.926 293 T HA 0.861 5.212 4.350 0.001 0.000 0.289 293 T C 0.532 175.240 174.700 0.013 0.000 1.054 293 T CA 0.356 62.456 62.100 -0.001 0.000 1.015 293 T CB 1.549 70.420 68.868 0.005 0.000 1.167 293 T HN 2.584 nan 8.240 nan 0.000 0.526 294 G N 1.118 109.932 108.800 0.023 0.000 2.610 294 G HA2 -0.023 3.938 3.960 0.001 0.000 0.304 294 G HA3 -0.023 3.938 3.960 0.001 0.000 0.304 294 G C -2.277 172.663 174.900 0.068 0.000 1.309 294 G CA -0.298 44.832 45.100 0.051 0.000 0.906 294 G HN 0.713 nan 8.290 nan 0.000 0.521 295 P HA -0.053 nan 4.420 nan 0.000 0.216 295 P C 1.121 178.501 177.300 0.134 0.000 1.167 295 P CA 1.286 64.501 63.100 0.192 0.000 0.914 295 P CB 0.167 32.058 31.700 0.320 0.000 0.793 296 L N 0.485 121.743 121.223 0.058 0.000 2.335 296 L HA 0.278 4.618 4.340 0.001 0.000 0.268 296 L C -2.178 174.622 176.870 -0.116 0.000 1.037 296 L CA -2.119 52.598 54.840 -0.205 0.000 0.895 296 L CB 1.160 43.030 42.059 -0.315 0.000 1.266 296 L HN -0.029 nan 8.230 nan 0.000 0.439 297 P HA 0.022 nan 4.420 nan 0.000 0.238 297 P C -0.524 176.717 177.300 -0.098 0.000 1.649 297 P CA 0.337 63.392 63.100 -0.075 0.000 0.960 297 P CB 0.168 31.829 31.700 -0.066 0.000 1.911 298 V N 1.578 121.427 119.914 -0.107 0.000 3.012 298 V HA 0.433 4.554 4.120 0.001 0.000 0.307 298 V C 0.055 176.073 176.094 -0.127 0.000 1.166 298 V CA -0.853 61.351 62.300 -0.161 0.000 0.974 298 V CB 3.237 34.900 31.823 -0.266 0.000 1.040 298 V HN 0.151 nan 8.190 nan 0.000 0.428 299 R N 1.714 122.121 120.500 -0.155 0.000 2.621 299 R HA 0.597 4.938 4.340 0.001 0.000 0.292 299 R C -1.873 174.360 176.300 -0.113 0.000 0.969 299 R CA -0.705 55.371 56.100 -0.041 0.000 0.887 299 R CB 2.305 32.605 30.300 0.001 0.000 1.180 299 R HN 0.629 nan 8.270 nan 0.000 0.450 300 Y N 2.873 123.203 120.300 0.050 0.000 2.320 300 Y HA 0.331 4.881 4.550 0.001 0.000 0.334 300 Y C 0.264 176.197 175.900 0.055 0.000 1.055 300 Y CA -0.508 57.630 58.100 0.064 0.000 1.143 300 Y CB 0.965 39.476 38.460 0.084 0.000 1.193 300 Y HN 0.223 nan 8.280 nan 0.000 0.477 301 L N 6.086 127.409 121.223 0.167 0.000 2.325 301 L HA 0.494 4.834 4.340 0.001 0.000 0.279 301 L C -1.993 174.952 176.870 0.124 0.000 1.054 301 L CA -2.296 52.614 54.840 0.116 0.000 0.804 301 L CB 0.950 43.051 42.059 0.069 0.000 1.200 301 L HN 0.438 nan 8.230 nan 0.000 0.436 302 P HA 0.052 nan 4.420 nan 0.000 0.267 302 P C -2.542 174.808 177.300 0.084 0.000 1.201 302 P CA -0.838 62.319 63.100 0.095 0.000 0.775 302 P CB -0.531 31.215 31.700 0.076 0.000 0.854 303 P HA 0.014 nan 4.420 nan 0.000 0.265 303 P C 0.872 178.199 177.300 0.045 0.000 1.193 303 P CA 0.241 63.385 63.100 0.074 0.000 0.765 303 P CB 0.855 32.618 31.700 0.104 0.000 0.823 304 E N 2.086 122.292 120.200 0.009 0.000 2.051 304 E HA -0.095 4.255 4.350 0.001 0.000 0.192 304 E C 1.348 177.951 176.600 0.004 0.000 0.991 304 E CA 1.649 58.041 56.400 -0.013 0.000 0.799 304 E CB -0.273 29.383 29.700 -0.073 0.000 0.748 304 E HN 0.706 nan 8.360 nan 0.000 0.449 305 G N 0.556 109.366 108.800 0.017 0.000 3.356 305 G HA2 0.367 4.328 3.960 0.001 0.000 0.178 305 G HA3 0.367 4.328 3.960 0.001 0.000 0.178 305 G C -2.428 172.520 174.900 0.081 0.000 1.130 305 G CA -0.682 44.444 45.100 0.043 0.000 0.800 305 G HN -0.009 nan 8.290 nan 0.000 0.669 306 P HA 0.360 nan 4.420 nan 0.000 0.268 306 P C -0.437 176.971 177.300 0.179 0.000 1.205 306 P CA -0.097 63.089 63.100 0.144 0.000 0.771 306 P CB 1.288 33.086 31.700 0.163 0.000 0.858 307 V N -0.845 119.172 119.914 0.172 0.000 2.962 307 V HA 0.751 4.872 4.120 0.001 0.000 0.313 307 V C 0.271 176.418 176.094 0.088 0.000 1.099 307 V CA -0.800 61.590 62.300 0.149 0.000 0.971 307 V CB 1.397 33.282 31.823 0.103 0.000 1.028 307 V HN 0.668 nan 8.190 nan 0.000 0.430 308 T N 0.072 114.581 114.554 -0.076 0.000 2.729 308 T HA 0.553 4.904 4.350 0.001 0.000 0.298 308 T C 1.355 175.754 174.700 -0.503 0.000 1.013 308 T CA 0.181 61.934 62.100 -0.579 0.000 0.957 308 T CB 0.931 69.366 68.868 -0.721 0.000 1.130 308 T HN 1.762 nan 8.240 nan 0.000 0.526 309 A N -0.167 122.229 122.820 -0.707 0.000 2.259 309 A HA 0.157 4.478 4.320 0.001 0.000 0.212 309 A C 1.764 179.092 177.584 -0.427 0.000 1.178 309 A CA 0.746 52.534 52.037 -0.415 0.000 0.734 309 A CB -1.047 17.726 19.000 -0.379 0.000 0.774 309 A HN 0.804 nan 8.150 nan 0.000 0.481 310 M N -1.695 117.552 119.600 -0.588 0.000 2.596 310 M HA 0.257 4.738 4.480 0.001 0.000 0.364 310 M C 1.140 177.191 176.300 -0.416 0.000 1.158 310 M CA 0.559 55.450 55.300 -0.681 0.000 0.940 310 M CB 0.776 32.540 32.600 -1.394 0.000 1.388 310 M HN 0.502 nan 8.290 nan 0.000 0.522 311 G N 0.035 108.742 108.800 -0.156 0.000 2.189 311 G HA2 -0.221 3.740 3.960 0.001 0.000 0.267 311 G HA3 -0.221 3.740 3.960 0.001 0.000 0.267 311 G C -0.557 174.492 174.900 0.248 0.000 0.975 311 G CA -0.161 44.975 45.100 0.060 0.000 0.644 311 G HN 0.512 nan 8.290 nan 0.000 0.537 312 W N 1.985 123.274 121.300 -0.019 0.000 2.419 312 W HA 0.575 5.235 4.660 0.001 0.000 0.312 312 W C 0.735 177.297 176.519 0.071 0.000 1.323 312 W CA -1.832 55.522 57.345 0.016 0.000 1.293 312 W CB -0.018 29.439 29.460 -0.004 0.000 1.324 312 W HN 0.306 nan 8.180 nan 0.000 0.512 313 E N 1.490 121.863 120.200 0.287 0.000 2.452 313 E HA 0.073 4.423 4.350 0.001 0.000 0.261 313 E C -0.600 176.200 176.600 0.334 0.000 0.987 313 E CA 0.095 56.639 56.400 0.240 0.000 0.926 313 E CB 0.843 30.636 29.700 0.154 0.000 0.934 313 E HN 0.111 nan 8.360 nan 0.000 0.452 314 V N 6.188 126.314 119.914 0.354 0.000 2.368 314 V HA 0.069 4.189 4.120 0.001 0.000 0.266 314 V C -0.690 175.658 176.094 0.424 0.000 1.045 314 V CA -0.171 62.408 62.300 0.465 0.000 0.899 314 V CB 0.366 32.471 31.823 0.471 0.000 1.006 314 V HN 0.551 nan 8.190 nan 0.000 0.470 315 Y N 8.907 129.382 120.300 0.291 0.000 2.520 315 Y HA 0.406 4.957 4.550 0.001 0.000 0.339 315 Y C -1.939 174.041 175.900 0.133 0.000 1.113 315 Y CA -2.650 55.552 58.100 0.170 0.000 1.255 315 Y CB 1.669 40.217 38.460 0.146 0.000 1.099 315 Y HN 0.486 nan 8.280 nan 0.000 0.628 316 P HA -0.240 nan 4.420 nan 0.000 0.216 316 P C 1.138 178.095 177.300 -0.573 0.000 1.150 316 P CA 1.575 64.180 63.100 -0.824 0.000 0.843 316 P CB 0.641 31.854 31.700 -0.812 0.000 0.787 317 E N 0.285 120.085 120.200 -0.667 0.000 2.160 317 E HA -0.114 4.236 4.350 0.001 0.000 0.195 317 E C 2.310 178.518 176.600 -0.655 0.000 0.991 317 E CA 1.657 57.691 56.400 -0.609 0.000 0.810 317 E CB -1.427 28.008 29.700 -0.443 0.000 0.742 317 E HN 0.258 nan 8.360 nan 0.000 0.466 318 G N 0.671 108.792 108.800 -1.133 0.000 2.442 318 G HA2 -0.261 3.700 3.960 0.001 0.000 0.219 318 G HA3 -0.261 3.700 3.960 0.001 0.000 0.219 318 G C 1.611 176.290 174.900 -0.369 0.000 1.141 318 G CA 0.765 45.654 45.100 -0.351 0.000 0.763 318 G HN 0.354 nan 8.290 nan 0.000 0.554 319 L N -0.858 119.975 121.223 -0.650 0.000 2.017 319 L HA -0.070 4.270 4.340 0.001 0.000 0.208 319 L C 2.590 179.259 176.870 -0.336 0.000 1.073 319 L CA 1.746 56.139 54.840 -0.744 0.000 0.745 319 L CB -0.352 41.451 42.059 -0.427 0.000 0.894 319 L HN 0.376 nan 8.230 nan 0.000 0.432 320 Y N 0.385 120.466 120.300 -0.366 0.000 2.053 320 Y HA -0.361 4.189 4.550 0.001 0.000 0.277 320 Y C 2.749 178.487 175.900 -0.269 0.000 1.159 320 Y CA 2.121 60.028 58.100 -0.320 0.000 1.125 320 Y CB -0.775 37.437 38.460 -0.414 0.000 0.969 320 Y HN 0.277 nan 8.280 nan 0.000 0.492 321 H N -0.382 118.435 119.070 -0.421 0.000 2.422 321 H HA -0.152 4.405 4.556 0.001 0.000 0.298 321 H C 2.263 177.401 175.328 -0.317 0.000 1.098 321 H CA 1.662 57.461 56.048 -0.415 0.000 1.315 321 H CB -0.574 29.131 29.762 -0.095 0.000 1.382 321 H HN 0.446 nan 8.280 nan 0.000 0.523 322 L N 0.788 121.913 121.223 -0.164 0.000 2.027 322 L HA -0.110 4.230 4.340 0.001 0.000 0.206 322 L C 2.304 179.022 176.870 -0.253 0.000 1.074 322 L CA 1.295 56.016 54.840 -0.199 0.000 0.745 322 L CB -0.850 41.067 42.059 -0.237 0.000 0.898 322 L HN 0.102 nan 8.230 nan 0.000 0.433 323 L N -0.625 120.447 121.223 -0.251 0.000 2.046 323 L HA -0.211 4.130 4.340 0.001 0.000 0.208 323 L C 2.595 179.339 176.870 -0.211 0.000 1.077 323 L CA 1.355 56.077 54.840 -0.197 0.000 0.747 323 L CB -0.560 41.421 42.059 -0.130 0.000 0.896 323 L HN 0.228 nan 8.230 nan 0.000 0.432 324 K N 0.260 120.473 120.400 -0.312 0.000 2.097 324 K HA -0.195 4.126 4.320 0.001 0.000 0.206 324 K C 2.217 178.703 176.600 -0.190 0.000 1.049 324 K CA 1.274 57.385 56.287 -0.293 0.000 0.933 324 K CB -0.133 32.071 32.500 -0.494 0.000 0.717 324 K HN 0.083 nan 8.250 nan 0.000 0.442 325 R N 0.053 120.443 120.500 -0.184 0.000 2.062 325 R HA -0.041 4.299 4.340 0.001 0.000 0.231 325 R C 2.034 178.247 176.300 -0.146 0.000 1.136 325 R CA 1.455 57.468 56.100 -0.144 0.000 0.948 325 R CB -0.310 29.907 30.300 -0.138 0.000 0.845 325 R HN 0.174 nan 8.270 nan 0.000 0.430 326 L N 0.085 121.198 121.223 -0.184 0.000 2.191 326 L HA -0.040 4.300 4.340 0.001 0.000 0.212 326 L C 2.496 179.292 176.870 -0.124 0.000 1.103 326 L CA 1.065 55.802 54.840 -0.172 0.000 0.769 326 L CB -0.578 41.349 42.059 -0.221 0.000 0.908 326 L HN 0.464 nan 8.230 nan 0.000 0.438 327 G N 0.137 108.870 108.800 -0.113 0.000 2.432 327 G HA2 -0.208 3.752 3.960 0.001 0.000 0.219 327 G HA3 -0.208 3.752 3.960 0.001 0.000 0.219 327 G C 1.786 176.635 174.900 -0.084 0.000 1.135 327 G CA 0.405 45.455 45.100 -0.083 0.000 0.767 327 G HN 0.330 nan 8.290 nan 0.000 0.550 328 R N -0.017 120.428 120.500 -0.091 0.000 2.055 328 R HA 0.074 4.415 4.340 0.001 0.000 0.226 328 R C 2.507 178.747 176.300 -0.100 0.000 1.135 328 R CA 1.078 57.129 56.100 -0.083 0.000 0.959 328 R CB -0.212 30.044 30.300 -0.074 0.000 0.854 328 R HN 0.198 nan 8.270 nan 0.000 0.431 329 E N 0.680 120.814 120.200 -0.111 0.000 2.046 329 E HA -0.037 4.313 4.350 0.001 0.000 0.190 329 E C 0.486 176.970 176.600 -0.193 0.000 0.982 329 E CA 0.744 57.068 56.400 -0.127 0.000 0.800 329 E CB -0.066 29.573 29.700 -0.103 0.000 0.756 329 E HN 0.022 nan 8.360 nan 0.000 0.449 330 V N 4.671 124.462 119.914 -0.204 0.000 2.406 330 V HA 0.057 4.178 4.120 0.001 0.000 0.272 330 V C -1.408 174.487 176.094 -0.333 0.000 1.043 330 V CA -0.801 61.303 62.300 -0.326 0.000 0.915 330 V CB 1.335 33.045 31.823 -0.188 0.000 0.988 330 V HN 0.111 nan 8.190 nan 0.000 0.466 331 P HA 0.022 nan 4.420 nan 0.000 0.245 331 P C -0.219 176.969 177.300 -0.187 0.000 1.212 331 P CA 0.393 63.267 63.100 -0.375 0.000 0.774 331 P CB 0.375 31.823 31.700 -0.420 0.000 0.999 332 W N 1.774 123.109 121.300 0.058 0.000 2.576 332 W HA 0.405 5.066 4.660 0.001 0.000 0.360 332 W C -2.170 174.405 176.519 0.093 0.000 1.109 332 W CA -2.909 54.490 57.345 0.090 0.000 1.237 332 W CB -0.545 28.986 29.460 0.118 0.000 1.369 332 W HN -0.202 nan 8.180 nan 0.000 0.609 333 P HA 0.255 nan 4.420 nan 0.000 0.271 333 P C -0.546 176.867 177.300 0.189 0.000 1.218 333 P CA 0.171 63.374 63.100 0.172 0.000 0.780 333 P CB 1.310 33.080 31.700 0.117 0.000 0.901 334 L N 2.464 123.704 121.223 0.029 0.000 2.334 334 L HA 0.503 4.843 4.340 0.001 0.000 0.270 334 L C -0.374 176.413 176.870 -0.138 0.000 1.018 334 L CA -0.938 53.957 54.840 0.090 0.000 0.811 334 L CB 0.953 43.066 42.059 0.090 0.000 1.271 334 L HN 0.335 nan 8.230 nan 0.000 0.443 335 Y N 1.199 121.615 120.300 0.192 0.000 2.354 335 Y HA 0.392 4.942 4.550 0.001 0.000 0.330 335 Y C -0.071 175.872 175.900 0.072 0.000 1.011 335 Y CA -0.500 57.653 58.100 0.088 0.000 1.099 335 Y CB 1.769 40.225 38.460 -0.007 0.000 1.179 335 Y HN 0.350 nan 8.280 nan 0.000 0.442 336 I N 4.007 124.724 120.570 0.245 0.000 2.357 336 I HA -0.011 4.159 4.170 0.001 0.000 0.300 336 I C 0.998 177.154 176.117 0.064 0.000 1.159 336 I CA 0.309 61.718 61.300 0.181 0.000 1.339 336 I CB 0.325 38.483 38.000 0.264 0.000 1.458 336 I HN 0.775 nan 8.210 nan 0.000 0.577 337 T N 1.270 115.746 114.554 -0.130 0.000 3.118 337 T HA 0.147 4.497 4.350 0.001 0.000 0.260 337 T C 0.531 175.085 174.700 -0.244 0.000 1.139 337 T CA 0.307 62.086 62.100 -0.536 0.000 1.085 337 T CB 0.029 68.600 68.868 -0.495 0.000 0.934 337 T HN 0.563 nan 8.240 nan 0.000 0.518 338 E N 0.558 120.708 120.200 -0.082 0.000 2.397 338 E HA 0.374 4.725 4.350 0.001 0.000 0.293 338 E C -1.596 174.888 176.600 -0.194 0.000 0.930 338 E CA -0.601 55.779 56.400 -0.033 0.000 0.793 338 E CB 1.585 31.296 29.700 0.019 0.000 1.259 338 E HN 0.305 nan 8.360 nan 0.000 0.406 339 N N 2.198 120.776 118.700 -0.202 0.000 2.635 339 N HA 0.567 5.308 4.740 0.001 0.000 0.260 339 N C -1.226 174.307 175.510 0.039 0.000 1.078 339 N CA -0.200 52.716 53.050 -0.222 0.000 1.012 339 N CB 1.986 40.475 38.487 0.004 0.000 1.677 339 N HN 0.620 nan 8.380 nan 0.000 0.514 340 G N 0.833 109.703 108.800 0.118 0.000 2.321 340 G HA2 0.716 4.676 3.960 0.001 0.000 0.296 340 G HA3 0.716 4.676 3.960 0.001 0.000 0.296 340 G C -2.110 172.759 174.900 -0.051 0.000 1.287 340 G CA 0.011 45.269 45.100 0.264 0.000 0.846 340 G HN 0.766 nan 8.290 nan 0.000 0.508 341 A N -1.548 121.177 122.820 -0.158 0.000 2.612 341 A HA 1.006 5.326 4.320 0.001 0.000 0.293 341 A C -0.583 176.549 177.584 -0.753 0.000 1.075 341 A CA 0.276 51.978 52.037 -0.559 0.000 0.680 341 A CB 1.303 19.659 19.000 -1.074 0.000 1.279 341 A HN 2.469 nan 8.150 nan 0.000 0.411 342 A N 0.743 122.867 122.820 -1.159 0.000 2.287 342 A HA 0.797 5.117 4.320 0.001 0.000 0.317 342 A C -1.283 175.800 177.584 -0.834 0.000 1.220 342 A CA -0.217 51.148 52.037 -1.120 0.000 0.835 342 A CB 0.275 18.389 19.000 -1.477 0.000 1.180 342 A HN 0.868 nan 8.150 nan 0.000 0.500 343 Y N 1.239 121.341 120.300 -0.330 0.000 2.665 343 Y HA 0.544 5.095 4.550 0.001 0.000 0.336 343 Y C -2.318 173.512 175.900 -0.118 0.000 1.085 343 Y CA -2.294 55.692 58.100 -0.190 0.000 1.096 343 Y CB 1.727 40.110 38.460 -0.128 0.000 1.301 343 Y HN 0.457 nan 8.280 nan 0.000 0.493 344 P HA 0.137 nan 4.420 nan 0.000 0.277 344 P C -1.344 176.023 177.300 0.112 0.000 1.354 344 P CA -0.013 63.143 63.100 0.092 0.000 0.891 344 P CB 0.209 31.959 31.700 0.083 0.000 1.058 345 D N 3.040 123.525 120.400 0.142 0.000 2.295 345 D HA 0.155 4.795 4.640 0.001 0.000 0.248 345 D C -0.125 176.302 176.300 0.211 0.000 1.154 345 D CA -0.061 54.052 54.000 0.189 0.000 0.857 345 D CB 1.223 42.202 40.800 0.299 0.000 1.117 345 D HN 0.163 nan 8.370 nan 0.000 0.468 346 L N 4.423 125.714 121.223 0.113 0.000 2.272 346 L HA 0.416 4.757 4.340 0.001 0.000 0.289 346 L C -1.466 175.428 176.870 0.039 0.000 1.032 346 L CA -0.747 54.144 54.840 0.085 0.000 0.810 346 L CB 1.077 43.164 42.059 0.048 0.000 1.205 346 L HN 0.300 nan 8.230 nan 0.000 0.422 347 W N 5.108 126.260 121.300 -0.246 0.000 2.282 347 W HA 0.397 5.057 4.660 0.001 0.000 0.322 347 W C 0.953 177.359 176.519 -0.189 0.000 1.011 347 W CA -0.532 56.584 57.345 -0.381 0.000 1.392 347 W CB 1.220 30.225 29.460 -0.758 0.000 1.215 347 W HN 0.816 nan 8.180 nan 0.000 0.394 348 T N 1.324 115.703 114.554 -0.292 0.000 3.113 348 T HA 0.177 4.528 4.350 0.001 0.000 0.263 348 T C 1.478 175.789 174.700 -0.649 0.000 1.143 348 T CA 0.854 62.741 62.100 -0.355 0.000 1.090 348 T CB -0.177 68.578 68.868 -0.188 0.000 0.922 348 T HN 1.325 nan 8.240 nan 0.000 0.521 349 G N 0.646 108.635 108.800 -1.351 0.000 2.176 349 G HA2 -0.197 3.764 3.960 0.001 0.000 0.232 349 G HA3 -0.197 3.764 3.960 0.001 0.000 0.232 349 G C -0.077 174.550 174.900 -0.455 0.000 0.986 349 G CA 0.078 44.311 45.100 -1.444 0.000 0.643 349 G HN 0.627 nan 8.290 nan 0.000 0.522 350 E N -0.432 119.654 120.200 -0.191 0.000 3.655 350 E HA 0.648 4.999 4.350 0.001 0.000 0.280 350 E C 1.869 178.597 176.600 0.213 0.000 1.425 350 E CA -0.206 56.211 56.400 0.028 0.000 1.341 350 E CB 0.305 30.003 29.700 -0.002 0.000 1.349 350 E HN 0.434 nan 8.360 nan 0.000 0.775 351 A N 0.064 122.960 122.820 0.126 0.000 2.072 351 A HA 0.073 4.393 4.320 0.001 0.000 0.216 351 A C 0.634 178.274 177.584 0.094 0.000 1.156 351 A CA 0.560 52.668 52.037 0.118 0.000 0.701 351 A CB -0.107 18.933 19.000 0.067 0.000 0.816 351 A HN 0.254 nan 8.150 nan 0.000 0.458 352 V N -3.082 116.880 119.914 0.080 0.000 2.789 352 V HA 0.700 4.821 4.120 0.001 0.000 0.311 352 V C -0.822 175.295 176.094 0.039 0.000 1.073 352 V CA -0.997 61.323 62.300 0.034 0.000 0.921 352 V CB 1.612 33.443 31.823 0.013 0.000 1.009 352 V HN -0.085 nan 8.190 nan 0.000 0.426 353 V N 3.576 123.482 119.914 -0.014 0.000 2.350 353 V HA 0.411 4.532 4.120 0.001 0.000 0.276 353 V C 0.124 176.211 176.094 -0.012 0.000 1.028 353 V CA -0.322 61.962 62.300 -0.025 0.000 0.860 353 V CB 1.101 32.844 31.823 -0.133 0.000 0.990 353 V HN 0.945 nan 8.190 nan 0.000 0.453 354 E N 4.909 125.107 120.200 -0.003 0.000 2.166 354 E HA 0.160 4.511 4.350 0.001 0.000 0.279 354 E C -0.240 176.351 176.600 -0.015 0.000 1.095 354 E CA -0.117 56.277 56.400 -0.010 0.000 0.888 354 E CB 0.703 30.396 29.700 -0.012 0.000 1.041 354 E HN 0.801 nan 8.360 nan 0.000 0.414 355 D N 3.272 123.656 120.400 -0.026 0.000 2.607 355 D HA 0.105 4.745 4.640 0.001 0.000 0.318 355 D C -1.882 174.359 176.300 -0.098 0.000 1.212 355 D CA -1.627 52.345 54.000 -0.047 0.000 0.861 355 D CB 0.927 41.721 40.800 -0.010 0.000 1.064 355 D HN 0.090 nan 8.370 nan 0.000 0.500 356 P HA -0.199 nan 4.420 nan 0.000 0.217 356 P C 0.901 178.081 177.300 -0.201 0.000 1.148 356 P CA 1.229 64.249 63.100 -0.132 0.000 0.828 356 P CB 0.502 32.139 31.700 -0.104 0.000 0.783 357 E N -0.413 119.597 120.200 -0.317 0.000 2.230 357 E HA -0.062 4.289 4.350 0.001 0.000 0.192 357 E C 2.371 178.741 176.600 -0.383 0.000 0.987 357 E CA 0.225 56.325 56.400 -0.500 0.000 0.841 357 E CB -0.266 28.799 29.700 -1.058 0.000 0.783 357 E HN 0.209 nan 8.360 nan 0.000 0.481 358 R N 0.990 121.348 120.500 -0.237 0.000 2.153 358 R HA -0.050 4.290 4.340 0.001 0.000 0.218 358 R C 2.008 178.272 176.300 -0.060 0.000 1.072 358 R CA 0.512 56.620 56.100 0.012 0.000 0.990 358 R CB 0.147 30.479 30.300 0.053 0.000 0.889 358 R HN 0.009 nan 8.270 nan 0.000 0.452 359 V N 0.980 120.781 119.914 -0.187 0.000 2.307 359 V HA -0.180 3.941 4.120 0.001 0.000 0.245 359 V C 2.467 178.269 176.094 -0.487 0.000 1.045 359 V CA 1.903 63.951 62.300 -0.419 0.000 1.024 359 V CB -0.613 31.011 31.823 -0.331 0.000 0.651 359 V HN 0.499 nan 8.190 nan 0.000 0.449 360 A N -0.732 121.936 122.820 -0.253 0.000 1.858 360 A HA -0.272 4.049 4.320 0.001 0.000 0.216 360 A C 2.179 179.736 177.584 -0.044 0.000 1.190 360 A CA 2.129 54.067 52.037 -0.165 0.000 0.617 360 A CB -0.877 18.064 19.000 -0.099 0.000 0.827 360 A HN 0.610 nan 8.150 nan 0.000 0.443 361 Y N 0.711 120.998 120.300 -0.022 0.000 2.081 361 Y HA -0.251 4.299 4.550 0.001 0.000 0.280 361 Y C 2.040 178.066 175.900 0.209 0.000 1.163 361 Y CA 2.160 60.371 58.100 0.186 0.000 1.135 361 Y CB -0.426 38.191 38.460 0.263 0.000 0.970 361 Y HN 0.226 nan 8.280 nan 0.000 0.498 362 L N 0.007 121.394 121.223 0.273 0.000 2.046 362 L HA -0.225 4.116 4.340 0.001 0.000 0.208 362 L C 2.583 179.445 176.870 -0.013 0.000 1.077 362 L CA 1.961 56.906 54.840 0.174 0.000 0.747 362 L CB -0.710 41.353 42.059 0.006 0.000 0.896 362 L HN 0.319 nan 8.230 nan 0.000 0.432 363 E N 0.292 120.239 120.200 -0.422 0.000 2.153 363 E HA -0.234 4.117 4.350 0.001 0.000 0.194 363 E C 2.149 178.768 176.600 0.031 0.000 0.988 363 E CA 1.176 57.497 56.400 -0.132 0.000 0.811 363 E CB 0.080 29.610 29.700 -0.284 0.000 0.746 363 E HN 0.484 nan 8.360 nan 0.000 0.466 364 A N -0.228 122.564 122.820 -0.046 0.000 1.930 364 A HA -0.099 4.221 4.320 0.001 0.000 0.215 364 A C 1.639 179.121 177.584 -0.170 0.000 1.176 364 A CA 1.207 53.175 52.037 -0.115 0.000 0.632 364 A CB -0.578 18.313 19.000 -0.180 0.000 0.819 364 A HN 0.283 nan 8.150 nan 0.000 0.445 365 H N -1.110 117.915 119.070 -0.075 0.000 2.457 365 H HA 0.001 4.558 4.556 0.001 0.000 0.294 365 H C 1.960 177.310 175.328 0.036 0.000 1.064 365 H CA 1.442 57.483 56.048 -0.010 0.000 1.330 365 H CB 0.041 29.831 29.762 0.047 0.000 1.395 365 H HN 0.244 nan 8.280 nan 0.000 0.541 366 V N 0.556 120.537 119.914 0.112 0.000 2.427 366 V HA -0.169 3.952 4.120 0.001 0.000 0.248 366 V C 2.067 178.160 176.094 -0.001 0.000 1.051 366 V CA 1.546 63.819 62.300 -0.045 0.000 1.048 366 V CB -0.107 31.781 31.823 0.108 0.000 0.666 366 V HN 0.424 nan 8.190 nan 0.000 0.456 367 E N 0.341 120.547 120.200 0.009 0.000 2.107 367 E HA -0.100 4.251 4.350 0.001 0.000 0.191 367 E C 2.350 178.902 176.600 -0.080 0.000 0.982 367 E CA 1.395 57.775 56.400 -0.033 0.000 0.809 367 E CB -0.512 29.161 29.700 -0.045 0.000 0.756 367 E HN 0.549 nan 8.360 nan 0.000 0.459 368 A N 1.304 124.064 122.820 -0.101 0.000 1.933 368 A HA -0.065 4.255 4.320 0.001 0.000 0.218 368 A C 2.374 179.954 177.584 -0.006 0.000 1.175 368 A CA 1.948 53.915 52.037 -0.117 0.000 0.628 368 A CB -0.464 18.430 19.000 -0.176 0.000 0.814 368 A HN 0.255 nan 8.150 nan 0.000 0.444 369 A N -0.229 122.605 122.820 0.023 0.000 1.873 369 A HA 0.035 4.355 4.320 0.001 0.000 0.215 369 A C 2.088 179.695 177.584 0.039 0.000 1.186 369 A CA 1.340 53.421 52.037 0.073 0.000 0.616 369 A CB -0.561 18.525 19.000 0.143 0.000 0.823 369 A HN 0.452 nan 8.150 nan 0.000 0.442 370 L N -1.082 120.127 121.223 -0.022 0.000 2.275 370 L HA -0.100 4.240 4.340 0.001 0.000 0.215 370 L C 2.704 179.548 176.870 -0.044 0.000 1.119 370 L CA 1.111 55.907 54.840 -0.073 0.000 0.790 370 L CB -0.442 41.554 42.059 -0.105 0.000 0.919 370 L HN 0.447 nan 8.230 nan 0.000 0.443 371 R N 0.499 120.978 120.500 -0.035 0.000 2.075 371 R HA -0.149 4.191 4.340 0.001 0.000 0.232 371 R C 2.370 178.719 176.300 0.081 0.000 1.126 371 R CA 1.333 57.401 56.100 -0.052 0.000 0.963 371 R CB -0.141 30.021 30.300 -0.230 0.000 0.858 371 R HN 0.327 nan 8.270 nan 0.000 0.435 372 A N 1.197 124.123 122.820 0.177 0.000 1.902 372 A HA -0.138 4.183 4.320 0.001 0.000 0.217 372 A C 2.126 179.749 177.584 0.066 0.000 1.181 372 A CA 0.944 53.077 52.037 0.159 0.000 0.623 372 A CB -0.432 18.610 19.000 0.071 0.000 0.818 372 A HN 0.216 nan 8.150 nan 0.000 0.443 373 R N 0.230 120.753 120.500 0.038 0.000 2.096 373 R HA -0.188 4.153 4.340 0.001 0.000 0.229 373 R C 2.165 178.469 176.300 0.007 0.000 1.134 373 R CA 1.872 57.981 56.100 0.015 0.000 0.917 373 R CB -0.883 29.403 30.300 -0.024 0.000 0.832 373 R HN 0.900 nan 8.270 nan 0.000 0.430 374 E N 0.525 120.719 120.200 -0.010 0.000 2.333 374 E HA -0.206 4.144 4.350 0.001 0.000 0.200 374 E C 0.846 177.451 176.600 0.007 0.000 1.010 374 E CA 1.311 57.704 56.400 -0.011 0.000 0.841 374 E CB -0.189 29.495 29.700 -0.027 0.000 0.757 374 E HN 0.487 nan 8.360 nan 0.000 0.508 375 E N -0.223 119.994 120.200 0.028 0.000 2.463 375 E HA 0.139 4.490 4.350 0.001 0.000 0.193 375 E C 0.840 177.457 176.600 0.028 0.000 1.041 375 E CA 0.226 56.651 56.400 0.041 0.000 0.879 375 E CB 0.842 30.598 29.700 0.093 0.000 0.997 375 E HN 0.511 nan 8.360 nan 0.000 0.478 376 G N 0.608 109.419 108.800 0.019 0.000 2.352 376 G HA2 -0.250 3.711 3.960 0.001 0.000 0.204 376 G HA3 -0.250 3.711 3.960 0.001 0.000 0.204 376 G C 0.442 175.346 174.900 0.007 0.000 1.004 376 G CA -0.138 44.969 45.100 0.011 0.000 0.648 376 G HN 0.130 nan 8.290 nan 0.000 0.491 377 V N 2.258 122.174 119.914 0.003 0.000 2.617 377 V HA 0.296 4.417 4.120 0.001 0.000 0.304 377 V C 0.754 176.854 176.094 0.010 0.000 1.040 377 V CA 0.853 63.150 62.300 -0.006 0.000 1.149 377 V CB 1.441 33.253 31.823 -0.019 0.000 0.914 377 V HN 0.377 nan 8.190 nan 0.000 0.487 378 D N 4.276 124.681 120.400 0.009 0.000 2.713 378 D HA 0.188 4.828 4.640 0.001 0.000 0.229 378 D C -0.392 175.901 176.300 -0.012 0.000 1.136 378 D CA -0.319 53.690 54.000 0.014 0.000 1.010 378 D CB -0.043 40.774 40.800 0.028 0.000 1.084 378 D HN 0.388 nan 8.370 nan 0.000 0.495 379 L N 2.272 123.502 121.223 0.012 0.000 2.265 379 L HA 0.400 4.741 4.340 0.001 0.000 0.288 379 L C 0.727 177.599 176.870 0.003 0.000 1.058 379 L CA 0.095 54.940 54.840 0.008 0.000 0.809 379 L CB 0.884 43.011 42.059 0.113 0.000 1.179 379 L HN 0.126 nan 8.230 nan 0.000 0.429 380 R N 3.669 123.981 120.500 -0.314 0.000 2.437 380 R HA 0.475 4.816 4.340 0.001 0.000 0.257 380 R C 0.100 175.957 176.300 -0.737 0.000 0.927 380 R CA 0.153 56.017 56.100 -0.394 0.000 1.078 380 R CB 0.906 30.919 30.300 -0.478 0.000 1.161 380 R HN 0.814 nan 8.270 nan 0.000 0.529 381 G N 0.061 108.422 108.800 -0.733 0.000 2.547 381 G HA2 0.324 4.285 3.960 0.001 0.000 0.291 381 G HA3 0.324 4.285 3.960 0.001 0.000 0.291 381 G C -2.366 172.376 174.900 -0.263 0.000 1.471 381 G CA -0.504 44.067 45.100 -0.883 0.000 0.798 381 G HN 0.068 nan 8.290 nan 0.000 0.504 382 Y N 0.499 120.559 120.300 -0.399 0.000 2.330 382 Y HA 0.703 5.253 4.550 0.001 0.000 0.324 382 Y C -1.907 174.078 175.900 0.142 0.000 1.093 382 Y CA -1.511 56.644 58.100 0.091 0.000 1.103 382 Y CB 1.376 39.966 38.460 0.216 0.000 1.183 382 Y HN 0.417 nan 8.280 nan 0.000 0.433 383 F N 5.743 125.493 119.950 -0.335 0.000 2.426 383 F HA 0.495 5.023 4.527 0.001 0.000 0.348 383 F C -0.185 175.405 175.800 -0.351 0.000 1.124 383 F CA -1.357 56.515 58.000 -0.213 0.000 1.008 383 F CB 1.233 40.109 39.000 -0.207 0.000 1.139 383 F HN 0.193 nan 8.300 nan 0.000 0.452 384 V N 4.061 123.950 119.914 -0.041 0.000 2.585 384 V HA -0.116 4.004 4.120 0.001 0.000 0.296 384 V C 0.028 176.161 176.094 0.065 0.000 1.035 384 V CA -0.611 61.651 62.300 -0.063 0.000 1.084 384 V CB 0.612 32.342 31.823 -0.155 0.000 0.953 384 V HN 0.821 nan 8.190 nan 0.000 0.483 385 W N 6.219 127.520 121.300 0.002 0.000 2.446 385 W HA 0.318 4.978 4.660 0.001 0.000 0.316 385 W C 0.243 176.836 176.519 0.122 0.000 1.376 385 W CA 0.137 57.515 57.345 0.055 0.000 1.300 385 W CB 0.666 30.171 29.460 0.075 0.000 1.351 385 W HN 0.755 nan 8.180 nan 0.000 0.530 386 S N 3.841 118.913 115.700 -1.047 0.000 2.969 386 S HA -0.292 4.179 4.470 0.001 0.000 0.856 386 S C 0.315 174.726 174.600 -0.314 0.000 0.942 386 S CA 0.130 57.757 58.200 -0.954 0.000 1.387 386 S CB -0.640 61.830 63.200 -1.217 0.000 0.992 386 S HN 0.810 nan 8.310 nan 0.000 0.268 387 L N 5.657 126.774 121.223 -0.177 0.000 2.217 387 L HA 0.330 4.670 4.340 0.001 0.000 0.211 387 L C 0.738 177.653 176.870 0.075 0.000 1.107 387 L CA 2.255 57.111 54.840 0.027 0.000 0.783 387 L CB -0.247 41.838 42.059 0.043 0.000 0.919 387 L HN 0.779 nan 8.230 nan 0.000 0.442 388 M N -3.253 116.328 119.600 -0.032 0.000 2.682 388 M HA 0.421 4.901 4.480 0.001 0.000 0.272 388 M C -1.428 174.856 176.300 -0.028 0.000 1.232 388 M CA -0.935 54.369 55.300 0.007 0.000 0.849 388 M CB 0.990 33.587 32.600 -0.004 0.000 1.695 388 M HN -0.334 nan 8.290 nan 0.000 0.481 389 D N 2.556 122.942 120.400 -0.023 0.000 2.423 389 D HA 0.370 5.011 4.640 0.001 0.000 0.238 389 D C -0.676 175.794 176.300 0.284 0.000 1.142 389 D CA 0.793 54.843 54.000 0.083 0.000 0.884 389 D CB 0.438 41.204 40.800 -0.058 0.000 1.199 389 D HN 0.801 nan 8.370 nan 0.000 0.438 390 N N -0.719 118.195 118.700 0.358 0.000 3.449 390 N HA 0.236 4.977 4.740 0.001 0.000 0.312 390 N C -1.325 174.254 175.510 0.117 0.000 1.582 390 N CA -0.876 52.374 53.050 0.334 0.000 0.850 390 N CB 0.150 38.699 38.487 0.103 0.000 1.822 390 N HN 0.206 nan 8.380 nan 0.000 0.577 391 F N 1.248 121.020 119.950 -0.298 0.000 2.490 391 F HA 0.250 4.777 4.527 0.001 0.000 0.357 391 F C 0.652 176.063 175.800 -0.648 0.000 1.166 391 F CA -0.168 57.388 58.000 -0.740 0.000 1.116 391 F CB 0.260 38.831 39.000 -0.714 0.000 1.171 391 F HN 0.412 nan 8.300 nan 0.000 0.576 392 E N 7.053 126.789 120.200 -0.774 0.000 2.452 392 E HA 0.059 4.409 4.350 0.001 0.000 0.293 392 E C -0.027 176.333 176.600 -0.399 0.000 1.535 392 E CA -0.047 56.063 56.400 -0.483 0.000 1.816 392 E CB -0.592 29.072 29.700 -0.061 0.000 1.494 392 E HN 0.793 nan 8.360 nan 0.000 0.464 393 W N 0.232 121.187 121.300 -0.575 0.000 2.259 393 W HA -0.472 4.189 4.660 0.001 0.000 0.293 393 W C 1.809 178.248 176.519 -0.133 0.000 1.351 393 W CA 0.866 57.984 57.345 -0.378 0.000 1.295 393 W CB -1.656 27.701 29.460 -0.171 0.000 0.892 393 W HN 0.329 nan 8.180 nan 0.000 0.520 394 A N -0.622 122.544 122.820 0.577 0.000 2.178 394 A HA 0.034 4.355 4.320 0.001 0.000 0.218 394 A C 1.250 178.821 177.584 -0.022 0.000 1.157 394 A CA 1.688 53.949 52.037 0.374 0.000 0.689 394 A CB -0.828 18.417 19.000 0.408 0.000 0.787 394 A HN 0.423 nan 8.150 nan 0.000 0.465 395 F N -0.841 119.129 119.950 0.033 0.000 2.727 395 F HA 0.345 4.872 4.527 0.001 0.000 0.302 395 F C 1.923 177.603 175.800 -0.201 0.000 1.097 395 F CA 0.355 58.329 58.000 -0.044 0.000 1.330 395 F CB -0.133 38.859 39.000 -0.013 0.000 1.084 395 F HN 0.406 nan 8.300 nan 0.000 0.578 396 G N 0.659 109.245 108.800 -0.356 0.000 2.611 396 G HA2 -0.386 3.575 3.960 0.001 0.000 0.301 396 G HA3 -0.386 3.575 3.960 0.001 0.000 0.301 396 G C 0.181 174.678 174.900 -0.672 0.000 1.233 396 G CA 0.636 45.326 45.100 -0.683 0.000 0.993 396 G HN 0.303 nan 8.290 nan 0.000 0.553 397 Y N 1.762 121.977 120.300 -0.142 0.000 2.625 397 Y HA 0.387 4.937 4.550 0.001 0.000 0.285 397 Y C 2.522 178.439 175.900 0.028 0.000 1.168 397 Y CA 0.943 58.975 58.100 -0.114 0.000 1.250 397 Y CB 0.214 38.502 38.460 -0.286 0.000 1.130 397 Y HN 0.664 nan 8.280 nan 0.000 0.526 398 T N -2.601 112.034 114.554 0.135 0.000 3.107 398 T HA 0.198 4.548 4.350 0.001 0.000 0.249 398 T C 0.640 175.396 174.700 0.093 0.000 1.096 398 T CA -0.032 62.153 62.100 0.141 0.000 1.012 398 T CB 0.111 69.068 68.868 0.148 0.000 0.977 398 T HN -0.112 nan 8.240 nan 0.000 0.527 399 R N 1.810 122.352 120.500 0.071 0.000 2.473 399 R HA 0.448 4.788 4.340 0.001 0.000 0.303 399 R C -0.914 175.407 176.300 0.036 0.000 1.002 399 R CA -0.351 55.726 56.100 -0.038 0.000 0.884 399 R CB 1.494 31.715 30.300 -0.131 0.000 1.173 399 R HN 0.365 nan 8.270 nan 0.000 0.464 400 R N 2.299 122.762 120.500 -0.060 0.000 2.265 400 R HA 0.370 4.710 4.340 0.001 0.000 0.319 400 R C 0.211 176.428 176.300 -0.138 0.000 1.006 400 R CA -0.127 55.972 56.100 -0.002 0.000 0.880 400 R CB 0.812 31.098 30.300 -0.024 0.000 1.077 400 R HN 0.435 nan 8.270 nan 0.000 0.454 401 F N 0.051 120.013 119.950 0.020 0.000 2.728 401 F HA 0.247 4.775 4.527 0.001 0.000 0.314 401 F C 1.530 177.307 175.800 -0.037 0.000 1.094 401 F CA -0.331 57.695 58.000 0.044 0.000 1.217 401 F CB 0.826 39.962 39.000 0.226 0.000 1.056 401 F HN 0.653 nan 8.300 nan 0.000 0.577 402 G N 0.320 109.173 108.800 0.088 0.000 2.606 402 G HA2 0.294 4.254 3.960 0.001 0.000 0.252 402 G HA3 0.294 4.254 3.960 0.001 0.000 0.252 402 G C 0.848 175.769 174.900 0.035 0.000 1.206 402 G CA -0.394 44.719 45.100 0.022 0.000 0.861 402 G HN 0.194 nan 8.290 nan 0.000 0.561 403 L N -0.538 120.714 121.223 0.049 0.000 2.270 403 L HA 0.164 4.505 4.340 0.001 0.000 0.210 403 L C 0.139 176.925 176.870 -0.141 0.000 1.104 403 L CA 0.446 55.285 54.840 -0.001 0.000 0.804 403 L CB -0.124 41.969 42.059 0.056 0.000 0.937 403 L HN 0.370 nan 8.230 nan 0.000 0.450 404 Y N -1.459 118.843 120.300 0.004 0.000 2.331 404 Y HA 0.246 4.797 4.550 0.001 0.000 0.338 404 Y C -0.141 175.728 175.900 -0.051 0.000 0.992 404 Y CA -0.989 57.100 58.100 -0.017 0.000 1.121 404 Y CB 0.878 39.312 38.460 -0.043 0.000 1.184 404 Y HN -0.127 nan 8.280 nan 0.000 0.469 405 Y N 3.381 123.624 120.300 -0.094 0.000 2.377 405 Y HA 0.466 5.016 4.550 0.001 0.000 0.330 405 Y C -0.763 174.944 175.900 -0.320 0.000 1.108 405 Y CA -0.610 57.364 58.100 -0.210 0.000 1.308 405 Y CB 0.564 38.850 38.460 -0.290 0.000 1.216 405 Y HN 0.337 nan 8.280 nan 0.000 0.518 406 V N 6.666 126.109 119.914 -0.785 0.000 2.384 406 V HA 0.124 4.244 4.120 0.001 0.000 0.287 406 V C -0.759 174.669 176.094 -1.111 0.000 1.020 406 V CA -0.872 60.930 62.300 -0.829 0.000 0.850 406 V CB 1.423 32.682 31.823 -0.939 0.000 0.987 406 V HN 0.755 nan 8.190 nan 0.000 0.436 407 D N 3.817 123.853 120.400 -0.607 0.000 2.441 407 D HA 0.300 4.940 4.640 0.001 0.000 0.221 407 D C 0.733 176.849 176.300 -0.306 0.000 1.156 407 D CA -0.231 53.577 54.000 -0.320 0.000 0.896 407 D CB 0.446 41.148 40.800 -0.163 0.000 1.028 407 D HN 0.323 nan 8.370 nan 0.000 0.509 408 F N 3.598 123.479 119.950 -0.115 0.000 2.120 408 F HA -0.078 4.449 4.527 0.001 0.000 0.300 408 F C -0.208 175.540 175.800 -0.088 0.000 1.095 408 F CA 0.695 58.603 58.000 -0.153 0.000 1.249 408 F CB -1.643 37.171 39.000 -0.310 0.000 0.995 408 F HN 0.470 nan 8.300 nan 0.000 0.480 409 P HA -0.123 nan 4.420 nan 0.000 0.221 409 P C 1.143 178.484 177.300 0.068 0.000 1.145 409 P CA 2.063 65.216 63.100 0.089 0.000 0.795 409 P CB -0.126 31.634 31.700 0.100 0.000 0.775 410 S N -3.066 112.669 115.700 0.058 0.000 2.603 410 S HA 0.118 4.589 4.470 0.001 0.000 0.232 410 S C 0.995 175.601 174.600 0.010 0.000 1.016 410 S CA -0.283 57.943 58.200 0.043 0.000 0.976 410 S CB -0.222 63.021 63.200 0.072 0.000 0.921 410 S HN -0.163 nan 8.310 nan 0.000 0.516 411 Q N 0.396 120.190 119.800 -0.011 0.000 2.393 411 Q HA -0.225 4.115 4.340 0.001 0.000 0.235 411 Q C 0.188 176.142 176.000 -0.077 0.000 0.823 411 Q CA 1.114 56.896 55.803 -0.035 0.000 1.284 411 Q CB -1.555 27.189 28.738 0.010 0.000 1.669 411 Q HN 0.873 nan 8.270 nan 0.000 0.597 412 R N 0.992 121.442 120.500 -0.084 0.000 2.491 412 R HA 0.276 4.617 4.340 0.001 0.000 0.283 412 R C -0.521 175.679 176.300 -0.168 0.000 1.072 412 R CA -0.038 56.006 56.100 -0.093 0.000 1.048 412 R CB 0.536 30.809 30.300 -0.046 0.000 0.983 412 R HN -0.071 nan 8.270 nan 0.000 0.450 413 R N 4.102 124.527 120.500 -0.125 0.000 2.310 413 R HA 0.344 4.684 4.340 0.001 0.000 0.324 413 R C -0.977 175.312 176.300 -0.019 0.000 0.955 413 R CA -0.423 55.618 56.100 -0.098 0.000 0.830 413 R CB 1.201 31.443 30.300 -0.098 0.000 1.154 413 R HN 0.447 nan 8.270 nan 0.000 0.458 414 I N 4.994 125.526 120.570 -0.064 0.000 2.412 414 I HA 0.375 4.546 4.170 0.001 0.000 0.296 414 I C -2.003 174.126 176.117 0.020 0.000 0.987 414 I CA -2.507 58.748 61.300 -0.075 0.000 1.180 414 I CB 1.495 39.248 38.000 -0.412 0.000 1.340 414 I HN 0.459 nan 8.210 nan 0.000 0.455 415 P HA 0.218 nan 4.420 nan 0.000 0.275 415 P C -1.094 176.098 177.300 -0.179 0.000 1.228 415 P CA -0.508 62.426 63.100 -0.278 0.000 0.786 415 P CB 1.046 32.604 31.700 -0.236 0.000 0.927 416 K N 1.573 121.849 120.400 -0.208 0.000 2.211 416 K HA 0.382 4.703 4.320 0.001 0.000 0.237 416 K C 1.702 178.263 176.600 -0.065 0.000 1.002 416 K CA -0.878 55.357 56.287 -0.086 0.000 0.885 416 K CB 1.274 33.751 32.500 -0.038 0.000 1.136 416 K HN 0.219 nan 8.250 nan 0.000 0.448 417 R N 0.541 121.033 120.500 -0.013 0.000 2.127 417 R HA -0.137 4.203 4.340 0.001 0.000 0.238 417 R C 2.106 178.466 176.300 0.099 0.000 1.134 417 R CA 2.005 58.123 56.100 0.030 0.000 0.975 417 R CB -0.451 29.864 30.300 0.025 0.000 0.865 417 R HN 0.782 nan 8.270 nan 0.000 0.447 418 S N 0.671 116.420 115.700 0.082 0.000 2.400 418 S HA -0.124 4.347 4.470 0.001 0.000 0.232 418 S C 2.216 176.967 174.600 0.251 0.000 1.025 418 S CA 1.071 59.386 58.200 0.192 0.000 0.993 418 S CB -0.219 63.041 63.200 0.101 0.000 0.808 418 S HN 0.366 nan 8.310 nan 0.000 0.478 419 A N 2.309 125.152 122.820 0.038 0.000 1.877 419 A HA 0.136 4.456 4.320 0.001 0.000 0.216 419 A C 2.329 179.938 177.584 0.042 0.000 1.186 419 A CA 1.452 53.453 52.037 -0.061 0.000 0.620 419 A CB -0.853 17.833 19.000 -0.523 0.000 0.822 419 A HN 0.536 nan 8.150 nan 0.000 0.443 420 L N -2.563 118.680 121.223 0.033 0.000 2.141 420 L HA -0.159 4.182 4.340 0.001 0.000 0.209 420 L C 2.503 179.421 176.870 0.079 0.000 1.094 420 L CA 1.410 56.274 54.840 0.040 0.000 0.763 420 L CB -0.539 41.539 42.059 0.032 0.000 0.908 420 L HN 0.775 nan 8.230 nan 0.000 0.437 421 W N 0.204 121.514 121.300 0.016 0.000 2.379 421 W HA -0.282 4.378 4.660 0.001 0.000 0.307 421 W C 2.645 179.212 176.519 0.080 0.000 1.200 421 W CA 1.280 58.646 57.345 0.036 0.000 1.297 421 W CB -0.525 28.964 29.460 0.049 0.000 1.140 421 W HN 0.074 nan 8.180 nan 0.000 0.507 422 Y N 1.847 122.011 120.300 -0.227 0.000 2.181 422 Y HA -0.221 4.329 4.550 0.001 0.000 0.288 422 Y C 2.841 178.456 175.900 -0.475 0.000 1.146 422 Y CA 2.559 60.347 58.100 -0.520 0.000 1.164 422 Y CB -1.057 37.422 38.460 0.032 0.000 0.982 422 Y HN 0.048 nan 8.280 nan 0.000 0.515 423 R N 0.492 120.855 120.500 -0.229 0.000 2.091 423 R HA -0.190 4.150 4.340 0.001 0.000 0.238 423 R C 1.943 178.023 176.300 -0.367 0.000 1.136 423 R CA 2.191 58.126 56.100 -0.275 0.000 0.959 423 R CB -0.263 29.967 30.300 -0.116 0.000 0.856 423 R HN 0.488 nan 8.270 nan 0.000 0.437 424 E N -0.413 119.570 120.200 -0.361 0.000 2.112 424 E HA -0.092 4.259 4.350 0.001 0.000 0.190 424 E C 2.194 178.495 176.600 -0.497 0.000 0.979 424 E CA 0.177 56.367 56.400 -0.351 0.000 0.814 424 E CB -0.060 29.496 29.700 -0.241 0.000 0.762 424 E HN 0.222 nan 8.360 nan 0.000 0.460 425 R N 0.841 120.880 120.500 -0.767 0.000 2.120 425 R HA -0.075 4.265 4.340 0.001 0.000 0.234 425 R C 2.185 177.964 176.300 -0.869 0.000 1.123 425 R CA 0.784 56.379 56.100 -0.841 0.000 0.975 425 R CB -0.205 29.334 30.300 -1.268 0.000 0.866 425 R HN 0.255 nan 8.270 nan 0.000 0.446 426 I N -0.090 119.894 120.570 -0.976 0.000 2.193 426 I HA -0.202 3.968 4.170 0.001 0.000 0.240 426 I C 2.531 178.254 176.117 -0.656 0.000 1.084 426 I CA 1.067 61.688 61.300 -1.131 0.000 1.365 426 I CB -0.494 36.872 38.000 -1.058 0.000 1.064 426 I HN 0.078 nan 8.210 nan 0.000 0.410 427 A N 1.223 123.769 122.820 -0.456 0.000 1.917 427 A HA -0.255 4.066 4.320 0.001 0.000 0.219 427 A C 2.385 179.826 177.584 -0.238 0.000 1.182 427 A CA 1.817 53.685 52.037 -0.281 0.000 0.633 427 A CB -0.667 18.200 19.000 -0.221 0.000 0.819 427 A HN 0.352 nan 8.150 nan 0.000 0.448 428 R N -0.704 119.631 120.500 -0.276 0.000 2.070 428 R HA -0.053 4.288 4.340 0.001 0.000 0.232 428 R C 2.566 178.760 176.300 -0.176 0.000 1.138 428 R CA 1.234 57.212 56.100 -0.203 0.000 0.936 428 R CB -0.679 29.496 30.300 -0.208 0.000 0.839 428 R HN 0.487 nan 8.270 nan 0.000 0.429 429 A N 1.554 124.226 122.820 -0.246 0.000 1.958 429 A HA -0.220 4.101 4.320 0.001 0.000 0.221 429 A C 1.125 178.701 177.584 -0.014 0.000 1.178 429 A CA 1.430 53.397 52.037 -0.116 0.000 0.642 429 A CB -0.350 18.576 19.000 -0.124 0.000 0.816 429 A HN 0.401 nan 8.150 nan 0.000 0.453 430 Q N 0.000 119.770 119.800 -0.051 0.000 2.315 430 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 430 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 430 Q CB 0.000 28.754 28.738 0.026 0.000 1.108 430 Q HN 0.000 nan 8.270 nan 0.000 0.481