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 1fr6_1_A DATA FIRST_RESID 1 DATA SEQUENCE AAKTEQQIAD IVNRTITPLM QEQAIPGMAV AIIYQGKPYY FTWGKADIAN DATA SEQUENCE NRPVTQQTLF ELGSVSKTFN GVLGGDAIAR GEIKLSDPVT QYWPELTGKQ DATA SEQUENCE WQGISLLHLA TYTAGGLPLQ VPDDVTDKAA LLRFYQNWQP QWAPGAKRLY DATA SEQUENCE ANSSIGLFGA LAVKPSGMSY EEAMSKRVLH PLKLAHTWIT VPQSEQKDYA DATA SEQUENCE WGYREGKPVH VSPGQLDAEA YGVKSSVIDM TRWVQANMDA SQVQEKTLQQ DATA SEQUENCE GIELAQSRYW RIGDMYQGLG WEMLNWPVKA DSIISGSDSK VALAALPAVE DATA SEQUENCE VNPPAPAVKA SWVHKTGSTG GFGSYVAFVP EKNLGIVMLA NKSYPNPVRV DATA SEQUENCE EAAWRILEKL Q 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.653 177.584 0.114 0.000 1.274 1 A CA 0.000 52.078 52.037 0.068 0.000 0.836 1 A CB 0.000 19.026 19.000 0.044 0.000 0.831 2 A N 3.255 126.153 122.820 0.131 0.000 2.526 2 A HA 0.445 4.765 4.320 0.000 0.000 0.267 2 A C 0.564 178.263 177.584 0.192 0.000 1.095 2 A CA 0.257 52.432 52.037 0.229 0.000 0.775 2 A CB -0.306 18.792 19.000 0.164 0.000 1.036 2 A HN 0.582 nan 8.150 nan 0.000 0.510 3 K N 2.155 122.658 120.400 0.172 0.000 2.469 3 K HA 0.124 4.444 4.320 0.000 0.000 0.274 3 K C 0.373 176.939 176.600 -0.055 0.000 0.983 3 K CA 0.431 56.645 56.287 -0.122 0.000 0.974 3 K CB 0.332 32.495 32.500 -0.563 0.000 0.913 3 K HN 0.656 nan 8.250 nan 0.000 0.493 4 T N 2.176 116.678 114.554 -0.086 0.000 2.907 4 T HA 0.082 4.432 4.350 0.000 0.000 0.284 4 T C 1.428 176.051 174.700 -0.127 0.000 1.004 4 T CA -0.636 61.439 62.100 -0.042 0.000 1.063 4 T CB 0.932 69.793 68.868 -0.011 0.000 0.992 4 T HN 0.414 nan 8.240 nan 0.000 0.483 5 E N 1.626 121.774 120.200 -0.086 0.000 2.114 5 E HA -0.333 4.017 4.350 0.000 0.000 0.199 5 E C 2.059 178.611 176.600 -0.081 0.000 1.008 5 E CA 1.503 57.809 56.400 -0.156 0.000 0.810 5 E CB -0.113 29.604 29.700 0.029 0.000 0.739 5 E HN 0.777 nan 8.360 nan 0.000 0.456 6 Q N 1.094 120.876 119.800 -0.030 0.000 2.291 6 Q HA -0.228 4.112 4.340 0.000 0.000 0.205 6 Q C 2.104 178.080 176.000 -0.040 0.000 0.970 6 Q CA 1.531 57.330 55.803 -0.008 0.000 0.876 6 Q CB -0.024 28.718 28.738 0.008 0.000 0.935 6 Q HN 0.115 nan 8.270 nan 0.000 0.455 7 Q N 1.097 120.847 119.800 -0.083 0.000 2.212 7 Q HA 0.036 4.376 4.340 0.000 0.000 0.199 7 Q C 1.819 177.731 176.000 -0.146 0.000 0.950 7 Q CA 1.296 57.038 55.803 -0.101 0.000 0.863 7 Q CB -0.111 28.565 28.738 -0.103 0.000 0.944 7 Q HN 0.582 nan 8.270 nan 0.000 0.465 8 I N 0.361 120.806 120.570 -0.208 0.000 2.202 8 I HA -0.215 3.955 4.170 0.000 0.000 0.242 8 I C 2.200 178.234 176.117 -0.137 0.000 1.091 8 I CA 0.994 62.144 61.300 -0.250 0.000 1.368 8 I CB -0.626 37.117 38.000 -0.429 0.000 1.058 8 I HN 0.296 nan 8.210 nan 0.000 0.410 9 A N 0.629 123.431 122.820 -0.029 0.000 1.908 9 A HA -0.258 4.062 4.320 0.000 0.000 0.218 9 A C 2.001 179.530 177.584 -0.092 0.000 1.181 9 A CA 2.042 54.085 52.037 0.009 0.000 0.627 9 A CB -0.657 18.463 19.000 0.200 0.000 0.818 9 A HN 0.380 nan 8.150 nan 0.000 0.445 10 D N -0.080 120.282 120.400 -0.062 0.000 2.104 10 D HA -0.160 4.480 4.640 0.000 0.000 0.194 10 D C 1.895 178.153 176.300 -0.071 0.000 0.994 10 D CA 1.597 55.566 54.000 -0.051 0.000 0.830 10 D CB -0.281 40.494 40.800 -0.042 0.000 0.959 10 D HN 0.534 nan 8.370 nan 0.000 0.452 11 I N 0.686 121.197 120.570 -0.098 0.000 2.113 11 I HA -0.253 3.917 4.170 0.000 0.000 0.238 11 I C 2.612 178.666 176.117 -0.104 0.000 1.070 11 I CA 0.727 61.972 61.300 -0.092 0.000 1.332 11 I CB -0.354 37.585 38.000 -0.102 0.000 1.044 11 I HN -0.133 nan 8.210 nan 0.000 0.402 12 V N 0.993 120.802 119.914 -0.175 0.000 2.287 12 V HA -0.315 3.805 4.120 0.000 0.000 0.248 12 V C 2.262 178.280 176.094 -0.126 0.000 1.053 12 V CA 2.368 64.541 62.300 -0.211 0.000 1.027 12 V CB -0.969 30.529 31.823 -0.542 0.000 0.646 12 V HN 0.474 nan 8.190 nan 0.000 0.447 13 N N -0.090 118.570 118.700 -0.067 0.000 2.142 13 N HA -0.146 4.594 4.740 0.000 0.000 0.186 13 N C 1.931 177.424 175.510 -0.028 0.000 1.023 13 N CA 1.150 54.255 53.050 0.091 0.000 0.852 13 N CB -0.227 38.358 38.487 0.163 0.000 0.998 13 N HN 0.176 nan 8.380 nan 0.000 0.424 14 R N 0.019 120.493 120.500 -0.043 0.000 2.080 14 R HA -0.020 4.320 4.340 0.000 0.000 0.236 14 R C 2.122 178.380 176.300 -0.071 0.000 1.137 14 R CA 1.685 57.758 56.100 -0.045 0.000 0.943 14 R CB -1.502 28.778 30.300 -0.033 0.000 0.846 14 R HN 0.375 nan 8.270 nan 0.000 0.431 15 T N 1.284 115.788 114.554 -0.084 0.000 2.732 15 T HA -0.042 4.308 4.350 0.000 0.000 0.261 15 T C 1.842 176.449 174.700 -0.154 0.000 1.040 15 T CA 0.887 62.936 62.100 -0.085 0.000 1.145 15 T CB -0.125 68.720 68.868 -0.039 0.000 0.866 15 T HN -0.030 nan 8.240 nan 0.000 0.427 16 I N 1.661 122.066 120.570 -0.274 0.000 2.439 16 I HA -0.063 4.107 4.170 0.000 0.000 0.251 16 I C 2.604 178.417 176.117 -0.507 0.000 1.139 16 I CA 0.789 61.807 61.300 -0.469 0.000 1.438 16 I CB -1.836 35.633 38.000 -0.884 0.000 1.085 16 I HN 0.212 nan 8.210 nan 0.000 0.427 17 T N 2.705 117.009 114.554 -0.417 0.000 2.544 17 T HA -0.135 4.215 4.350 0.000 0.000 0.264 17 T C -0.303 174.271 174.700 -0.210 0.000 1.096 17 T CA 2.589 64.518 62.100 -0.286 0.000 1.181 17 T CB -1.239 67.556 68.868 -0.121 0.000 0.864 17 T HN 0.232 nan 8.240 nan 0.000 0.415 18 P HA -0.011 nan 4.420 nan 0.000 0.220 18 P C 1.827 179.049 177.300 -0.129 0.000 1.148 18 P CA 0.847 63.881 63.100 -0.110 0.000 0.803 18 P CB -0.283 31.372 31.700 -0.074 0.000 0.782 19 L N -1.016 120.106 121.223 -0.169 0.000 1.961 19 L HA -0.155 4.185 4.340 0.000 0.000 0.210 19 L C 2.607 179.340 176.870 -0.227 0.000 1.072 19 L CA 1.949 56.679 54.840 -0.183 0.000 0.749 19 L CB -0.804 41.148 42.059 -0.179 0.000 0.889 19 L HN -0.184 nan 8.230 nan 0.000 0.432 20 M N -0.618 118.824 119.600 -0.264 0.000 2.108 20 M HA -0.290 4.190 4.480 0.000 0.000 0.257 20 M C 2.390 178.597 176.300 -0.155 0.000 1.071 20 M CA 1.799 56.962 55.300 -0.229 0.000 1.093 20 M CB -0.630 31.837 32.600 -0.221 0.000 1.345 20 M HN 0.462 nan 8.290 nan 0.000 0.403 21 Q N 0.651 120.369 119.800 -0.137 0.000 2.030 21 Q HA -0.214 4.126 4.340 0.000 0.000 0.204 21 Q C 1.791 177.745 176.000 -0.076 0.000 0.986 21 Q CA 2.225 57.974 55.803 -0.091 0.000 0.843 21 Q CB -0.245 28.445 28.738 -0.081 0.000 0.904 21 Q HN 0.740 nan 8.270 nan 0.000 0.420 22 E N -1.237 118.914 120.200 -0.082 0.000 2.400 22 E HA -0.049 4.301 4.350 0.000 0.000 0.195 22 E C 1.409 177.971 176.600 -0.063 0.000 1.012 22 E CA 0.144 56.508 56.400 -0.060 0.000 0.875 22 E CB 0.106 29.778 29.700 -0.046 0.000 0.859 22 E HN 0.173 nan 8.360 nan 0.000 0.498 23 Q N 0.386 120.122 119.800 -0.106 0.000 2.392 23 Q HA 0.206 4.546 4.340 0.000 0.000 0.203 23 Q C 0.523 176.471 176.000 -0.085 0.000 0.917 23 Q CA 0.649 56.387 55.803 -0.108 0.000 0.939 23 Q CB 0.977 29.581 28.738 -0.223 0.000 1.063 23 Q HN 0.406 nan 8.270 nan 0.000 0.516 24 A N 1.089 123.858 122.820 -0.085 0.000 2.800 24 A HA -0.199 4.121 4.320 0.000 0.000 0.292 24 A C -0.041 177.507 177.584 -0.060 0.000 1.474 24 A CA 0.294 52.294 52.037 -0.062 0.000 0.744 24 A CB -2.402 16.576 19.000 -0.036 0.000 1.044 24 A HN 0.335 nan 8.150 nan 0.000 0.489 25 I N -0.456 120.063 120.570 -0.085 0.000 2.365 25 I HA 0.317 4.487 4.170 0.000 0.000 0.291 25 I C -0.823 175.288 176.117 -0.009 0.000 1.004 25 I CA -2.192 59.079 61.300 -0.048 0.000 1.311 25 I CB 1.209 39.148 38.000 -0.101 0.000 1.401 25 I HN 0.118 nan 8.210 nan 0.000 0.491 26 P HA 0.044 nan 4.420 nan 0.000 0.214 26 P C 0.340 177.715 177.300 0.125 0.000 1.162 26 P CA 0.464 63.574 63.100 0.017 0.000 0.871 26 P CB 0.281 31.931 31.700 -0.082 0.000 0.783 27 G N -1.293 107.645 108.800 0.230 0.000 2.667 27 G HA2 0.699 4.659 3.960 0.000 0.000 0.298 27 G HA3 0.699 4.659 3.960 0.000 0.000 0.298 27 G C -1.826 173.313 174.900 0.399 0.000 1.377 27 G CA -0.373 44.931 45.100 0.340 0.000 0.964 27 G HN 0.023 nan 8.290 nan 0.000 0.493 28 M N 0.836 120.682 119.600 0.410 0.000 2.484 28 M HA 0.724 5.204 4.480 0.000 0.000 0.289 28 M C -1.224 175.305 176.300 0.381 0.000 1.206 28 M CA -0.577 54.916 55.300 0.322 0.000 0.892 28 M CB 2.548 35.286 32.600 0.230 0.000 1.712 28 M HN 0.887 nan 8.290 nan 0.000 0.462 29 A N 3.357 126.253 122.820 0.127 0.000 2.385 29 A HA 0.792 5.112 4.320 0.000 0.000 0.290 29 A C -1.794 175.897 177.584 0.178 0.000 1.094 29 A CA -0.557 51.556 52.037 0.128 0.000 0.729 29 A CB 1.227 20.171 19.000 -0.093 0.000 1.194 29 A HN 0.588 nan 8.150 nan 0.000 0.442 30 V N 1.019 121.156 119.914 0.372 0.000 2.789 30 V HA 0.881 5.001 4.120 0.000 0.000 0.311 30 V C 0.091 176.453 176.094 0.447 0.000 1.073 30 V CA -0.235 62.306 62.300 0.401 0.000 0.921 30 V CB 1.894 34.025 31.823 0.513 0.000 1.009 30 V HN 1.468 nan 8.190 nan 0.000 0.426 31 A N 4.332 127.373 122.820 0.368 0.000 2.393 31 A HA 0.949 5.269 4.320 0.000 0.000 0.306 31 A C -1.413 176.331 177.584 0.267 0.000 1.050 31 A CA -0.434 51.805 52.037 0.337 0.000 0.724 31 A CB 1.352 20.551 19.000 0.332 0.000 1.248 31 A HN 0.662 nan 8.150 nan 0.000 0.424 32 I N 2.168 122.895 120.570 0.263 0.000 2.474 32 I HA 0.448 4.618 4.170 0.000 0.000 0.294 32 I C -0.533 175.698 176.117 0.189 0.000 1.005 32 I CA -0.202 61.239 61.300 0.235 0.000 1.113 32 I CB 1.872 40.049 38.000 0.295 0.000 1.289 32 I HN 0.514 nan 8.210 nan 0.000 0.436 33 I N 6.392 127.045 120.570 0.139 0.000 2.390 33 I HA 0.210 4.380 4.170 0.000 0.000 0.283 33 I C -1.384 174.825 176.117 0.153 0.000 1.016 33 I CA -0.791 60.552 61.300 0.072 0.000 1.151 33 I CB 0.892 38.868 38.000 -0.040 0.000 1.293 33 I HN 0.497 nan 8.210 nan 0.000 0.458 34 Y N 6.631 127.003 120.300 0.119 0.000 2.587 34 Y HA 0.303 4.853 4.550 -0.000 0.000 0.328 34 Y C 0.325 176.275 175.900 0.082 0.000 0.980 34 Y CA -0.614 57.555 58.100 0.115 0.000 1.272 34 Y CB 0.576 39.143 38.460 0.178 0.000 1.094 34 Y HN 0.657 nan 8.280 nan 0.000 0.503 35 Q N 4.112 123.660 119.800 -0.420 0.000 2.461 35 Q HA -0.176 4.164 4.340 0.000 0.000 0.298 35 Q C 0.931 176.806 176.000 -0.209 0.000 1.399 35 Q CA 0.796 56.369 55.803 -0.383 0.000 0.778 35 Q CB -1.512 26.915 28.738 -0.519 0.000 1.130 35 Q HN 1.299 nan 8.270 nan 0.000 0.407 36 G N 0.416 109.114 108.800 -0.170 0.000 2.361 36 G HA2 -0.360 3.600 3.960 0.000 0.000 0.294 36 G HA3 -0.360 3.600 3.960 0.000 0.000 0.294 36 G C -0.137 174.672 174.900 -0.151 0.000 1.004 36 G CA 1.262 46.271 45.100 -0.152 0.000 0.870 36 G HN 0.325 nan 8.290 nan 0.000 0.510 37 K N 0.572 120.881 120.400 -0.152 0.000 2.376 37 K HA 0.486 4.806 4.320 0.000 0.000 0.257 37 K C -2.721 173.673 176.600 -0.343 0.000 0.939 37 K CA -2.145 53.985 56.287 -0.262 0.000 0.809 37 K CB 2.716 35.032 32.500 -0.307 0.000 1.121 37 K HN -0.028 nan 8.250 nan 0.000 0.425 38 P HA 0.154 nan 4.420 nan 0.000 0.285 38 P C -1.442 175.384 177.300 -0.789 0.000 1.259 38 P CA -0.323 62.469 63.100 -0.514 0.000 0.794 38 P CB 0.384 31.782 31.700 -0.503 0.000 0.940 39 Y N 1.793 121.768 120.300 -0.542 0.000 2.327 39 Y HA 0.389 4.939 4.550 -0.000 0.000 0.325 39 Y C -0.264 175.277 175.900 -0.598 0.000 0.999 39 Y CA -0.488 57.303 58.100 -0.516 0.000 1.195 39 Y CB 1.224 39.567 38.460 -0.195 0.000 1.132 39 Y HN 0.315 nan 8.280 nan 0.000 0.455 40 Y N 3.087 123.210 120.300 -0.295 0.000 2.323 40 Y HA 0.649 5.199 4.550 0.000 0.000 0.331 40 Y C -0.691 174.805 175.900 -0.672 0.000 1.092 40 Y CA -1.006 56.907 58.100 -0.312 0.000 1.150 40 Y CB 1.134 39.496 38.460 -0.162 0.000 1.200 40 Y HN 0.382 nan 8.280 nan 0.000 0.472 41 F N 0.415 120.449 119.950 0.140 0.000 2.576 41 F HA 0.674 5.201 4.527 -0.000 0.000 0.313 41 F C -0.416 175.274 175.800 -0.184 0.000 1.078 41 F CA -0.943 56.953 58.000 -0.173 0.000 0.921 41 F CB 2.632 41.448 39.000 -0.306 0.000 1.232 41 F HN 0.381 nan 8.300 nan 0.000 0.459 42 T N -1.297 113.110 114.554 -0.244 0.000 3.105 42 T HA 0.492 4.842 4.350 0.000 0.000 0.321 42 T C -1.723 172.897 174.700 -0.132 0.000 1.135 42 T CA -0.746 61.350 62.100 -0.006 0.000 1.053 42 T CB 1.094 70.013 68.868 0.084 0.000 1.133 42 T HN 0.591 nan 8.240 nan 0.000 0.463 43 W N 1.407 122.814 121.300 0.178 0.000 2.915 43 W HA 0.565 5.225 4.660 -0.000 0.000 0.337 43 W C 0.886 177.491 176.519 0.145 0.000 1.102 43 W CA 0.026 57.455 57.345 0.141 0.000 1.224 43 W CB 1.868 31.394 29.460 0.109 0.000 1.416 43 W HN 1.446 nan 8.180 nan 0.000 0.503 44 G N 2.487 111.487 108.800 0.333 0.000 2.553 44 G HA2 -0.212 3.748 3.960 0.000 0.000 0.242 44 G HA3 -0.212 3.748 3.960 0.000 0.000 0.242 44 G C -0.716 174.309 174.900 0.209 0.000 1.277 44 G CA -0.176 45.065 45.100 0.235 0.000 0.910 44 G HN 0.466 nan 8.290 nan 0.000 0.576 45 K N -0.356 120.158 120.400 0.191 0.000 2.395 45 K HA 0.838 5.158 4.320 0.000 0.000 0.247 45 K C 0.719 177.468 176.600 0.248 0.000 0.973 45 K CA -0.182 56.218 56.287 0.189 0.000 0.828 45 K CB 1.673 34.255 32.500 0.136 0.000 1.272 45 K HN 1.441 nan 8.250 nan 0.000 0.439 46 A N 0.306 123.263 122.820 0.228 0.000 2.030 46 A HA 0.002 4.322 4.320 0.000 0.000 0.215 46 A C -0.088 177.694 177.584 0.329 0.000 1.164 46 A CA 1.172 53.337 52.037 0.214 0.000 0.697 46 A CB -0.129 18.932 19.000 0.102 0.000 0.827 46 A HN 0.736 nan 8.150 nan 0.000 0.457 47 D N -0.961 119.627 120.400 0.314 0.000 2.346 47 D HA 0.414 5.054 4.640 0.000 0.000 0.255 47 D C 0.752 177.191 176.300 0.231 0.000 1.276 47 D CA -0.474 53.757 54.000 0.385 0.000 0.941 47 D CB 0.175 41.202 40.800 0.379 0.000 1.199 47 D HN 0.138 nan 8.370 nan 0.000 0.537 48 I N 1.967 122.650 120.570 0.188 0.000 2.065 48 I HA -0.367 3.803 4.170 0.000 0.000 0.236 48 I C 2.434 178.554 176.117 0.004 0.000 1.028 48 I CA 1.855 63.127 61.300 -0.046 0.000 1.299 48 I CB -0.272 37.485 38.000 -0.406 0.000 1.015 48 I HN 0.479 nan 8.210 nan 0.000 0.396 49 A N 0.678 123.506 122.820 0.013 0.000 1.884 49 A HA -0.243 4.077 4.320 0.000 0.000 0.219 49 A C 1.769 179.362 177.584 0.016 0.000 1.197 49 A CA 2.262 54.295 52.037 -0.006 0.000 0.637 49 A CB -0.838 18.134 19.000 -0.046 0.000 0.827 49 A HN 0.591 nan 8.150 nan 0.000 0.450 50 N N 0.213 118.946 118.700 0.055 0.000 2.322 50 N HA -0.018 4.722 4.740 0.000 0.000 0.216 50 N C -0.156 175.396 175.510 0.071 0.000 1.144 50 N CA 0.210 53.299 53.050 0.065 0.000 0.830 50 N CB -0.199 38.346 38.487 0.095 0.000 1.034 50 N HN 0.471 nan 8.380 nan 0.000 0.484 51 N N 2.164 120.900 118.700 0.061 0.000 2.696 51 N HA -0.222 4.518 4.740 0.000 0.000 0.271 51 N C -1.104 174.449 175.510 0.072 0.000 0.997 51 N CA 0.740 53.824 53.050 0.057 0.000 0.801 51 N CB -0.526 37.984 38.487 0.038 0.000 0.913 51 N HN 0.336 nan 8.380 nan 0.000 0.557 52 R N 0.584 121.143 120.500 0.097 0.000 2.480 52 R HA 0.524 4.864 4.340 0.000 0.000 0.306 52 R C -2.589 173.781 176.300 0.117 0.000 0.958 52 R CA -1.694 54.466 56.100 0.100 0.000 0.861 52 R CB 2.101 32.466 30.300 0.109 0.000 1.171 52 R HN 0.156 nan 8.270 nan 0.000 0.445 53 P HA 0.163 nan 4.420 nan 0.000 0.281 53 P C -0.153 177.236 177.300 0.148 0.000 1.281 53 P CA -0.690 62.486 63.100 0.127 0.000 0.811 53 P CB 0.752 32.514 31.700 0.103 0.000 1.154 54 V N 1.010 121.043 119.914 0.199 0.000 2.446 54 V HA 0.131 4.251 4.120 0.000 0.000 0.276 54 V C 0.840 177.047 176.094 0.188 0.000 1.030 54 V CA 0.914 63.376 62.300 0.270 0.000 1.033 54 V CB -0.104 31.969 31.823 0.417 0.000 0.993 54 V HN 0.591 nan 8.190 nan 0.000 0.477 55 T N 4.026 118.681 114.554 0.168 0.000 2.950 55 T HA 0.233 4.583 4.350 0.000 0.000 0.288 55 T C 0.732 175.487 174.700 0.091 0.000 1.035 55 T CA -0.374 61.781 62.100 0.091 0.000 1.028 55 T CB 1.676 70.574 68.868 0.051 0.000 1.109 55 T HN 0.708 nan 8.240 nan 0.000 0.514 56 Q N 0.081 119.880 119.800 -0.003 0.000 2.466 56 Q HA 0.054 4.394 4.340 0.000 0.000 0.210 56 Q C 0.953 176.879 176.000 -0.124 0.000 0.961 56 Q CA 0.793 56.542 55.803 -0.090 0.000 0.953 56 Q CB 0.199 28.804 28.738 -0.221 0.000 1.011 56 Q HN 0.445 nan 8.270 nan 0.000 0.516 57 Q N -1.793 117.962 119.800 -0.075 0.000 2.211 57 Q HA 0.120 4.460 4.340 0.000 0.000 0.242 57 Q C -0.274 175.720 176.000 -0.010 0.000 0.825 57 Q CA 0.053 55.778 55.803 -0.130 0.000 0.951 57 Q CB 1.401 30.046 28.738 -0.155 0.000 1.130 57 Q HN 0.066 nan 8.270 nan 0.000 0.496 58 T N 1.528 116.126 114.554 0.072 0.000 2.934 58 T HA 0.128 4.478 4.350 0.000 0.000 0.306 58 T C -0.079 174.683 174.700 0.103 0.000 1.042 58 T CA 0.361 62.503 62.100 0.070 0.000 1.145 58 T CB 0.250 69.176 68.868 0.097 0.000 0.982 58 T HN 0.139 nan 8.240 nan 0.000 0.544 59 L N 3.848 125.058 121.223 -0.022 0.000 2.275 59 L HA 0.515 4.855 4.340 0.000 0.000 0.288 59 L C -0.491 176.291 176.870 -0.147 0.000 1.046 59 L CA -0.518 54.313 54.840 -0.016 0.000 0.805 59 L CB 0.464 42.451 42.059 -0.119 0.000 1.193 59 L HN 0.556 nan 8.230 nan 0.000 0.426 60 F N 0.843 120.800 119.950 0.012 0.000 2.508 60 F HA 0.342 4.870 4.527 0.000 0.000 0.325 60 F C 0.486 176.091 175.800 -0.325 0.000 1.090 60 F CA -0.775 57.200 58.000 -0.042 0.000 0.945 60 F CB 1.716 40.816 39.000 0.166 0.000 1.156 60 F HN 0.403 nan 8.300 nan 0.000 0.463 61 E N 2.742 122.523 120.200 -0.698 0.000 2.290 61 E HA 0.160 4.510 4.350 0.000 0.000 0.277 61 E C 0.379 176.902 176.600 -0.127 0.000 1.035 61 E CA -0.011 56.072 56.400 -0.530 0.000 0.873 61 E CB 0.737 29.978 29.700 -0.765 0.000 1.029 61 E HN 0.601 nan 8.360 nan 0.000 0.419 62 L N 3.099 124.320 121.223 -0.003 0.000 2.591 62 L HA 0.136 4.476 4.340 0.000 0.000 0.228 62 L C 1.403 178.374 176.870 0.168 0.000 1.133 62 L CA 0.207 55.120 54.840 0.122 0.000 0.880 62 L CB -0.875 41.261 42.059 0.127 0.000 1.033 62 L HN 0.888 nan 8.230 nan 0.000 0.450 63 G N 0.685 109.583 108.800 0.163 0.000 2.634 63 G HA2 -0.392 3.568 3.960 0.000 0.000 0.309 63 G HA3 -0.392 3.568 3.960 0.000 0.000 0.309 63 G C 0.810 175.859 174.900 0.249 0.000 1.265 63 G CA 0.445 45.679 45.100 0.224 0.000 0.998 63 G HN 0.256 nan 8.290 nan 0.000 0.551 64 S N 0.139 115.989 115.700 0.250 0.000 2.595 64 S HA 0.132 4.602 4.470 0.000 0.000 0.235 64 S C 2.154 176.887 174.600 0.222 0.000 0.974 64 S CA 1.000 59.361 58.200 0.269 0.000 0.942 64 S CB 0.102 63.496 63.200 0.323 0.000 0.766 64 S HN 0.674 nan 8.310 nan 0.000 0.536 65 V N 1.393 121.431 119.914 0.206 0.000 2.809 65 V HA -0.103 4.017 4.120 0.000 0.000 0.256 65 V C 2.161 178.395 176.094 0.232 0.000 1.080 65 V CA 1.186 63.597 62.300 0.185 0.000 1.102 65 V CB -0.782 31.175 31.823 0.224 0.000 0.705 65 V HN 0.453 nan 8.190 nan 0.000 0.475 66 S N 0.280 116.123 115.700 0.238 0.000 2.372 66 S HA -0.333 4.137 4.470 0.000 0.000 0.227 66 S C 1.967 176.737 174.600 0.284 0.000 1.044 66 S CA 1.897 60.241 58.200 0.240 0.000 1.050 66 S CB -0.349 62.912 63.200 0.101 0.000 0.901 66 S HN 0.620 nan 8.310 nan 0.000 0.447 67 K N 0.625 121.138 120.400 0.188 0.000 2.127 67 K HA -0.180 4.140 4.320 0.000 0.000 0.208 67 K C 2.519 179.146 176.600 0.046 0.000 1.047 67 K CA 1.750 58.119 56.287 0.136 0.000 0.927 67 K CB -0.719 31.873 32.500 0.154 0.000 0.716 67 K HN 0.701 nan 8.250 nan 0.000 0.450 68 T N -0.771 113.711 114.554 -0.120 0.000 2.720 68 T HA -0.184 4.166 4.350 0.000 0.000 0.268 68 T C 1.773 176.484 174.700 0.019 0.000 1.037 68 T CA 1.273 63.126 62.100 -0.411 0.000 1.144 68 T CB -0.584 67.730 68.868 -0.924 0.000 0.864 68 T HN 0.083 nan 8.240 nan 0.000 0.444 69 F N 2.745 122.765 119.950 0.116 0.000 2.102 69 F HA -0.021 4.507 4.527 0.000 0.000 0.298 69 F C 2.855 178.714 175.800 0.098 0.000 1.105 69 F CA 1.220 59.224 58.000 0.007 0.000 1.239 69 F CB -0.808 38.023 39.000 -0.282 0.000 0.991 69 F HN 0.212 nan 8.300 nan 0.000 0.474 70 N N 1.002 119.904 118.700 0.336 0.000 2.069 70 N HA -0.152 4.588 4.740 0.000 0.000 0.191 70 N C 2.112 177.824 175.510 0.337 0.000 1.031 70 N CA 1.878 55.150 53.050 0.368 0.000 0.852 70 N CB -0.889 37.800 38.487 0.336 0.000 1.018 70 N HN 0.304 nan 8.380 nan 0.000 0.423 71 G N 0.235 109.181 108.800 0.243 0.000 2.408 71 G HA2 -0.118 3.842 3.960 0.000 0.000 0.217 71 G HA3 -0.118 3.842 3.960 0.000 0.000 0.217 71 G C 1.772 176.815 174.900 0.239 0.000 1.150 71 G CA 0.856 46.079 45.100 0.206 0.000 0.776 71 G HN 0.272 nan 8.290 nan 0.000 0.542 72 V N 0.525 120.597 119.914 0.262 0.000 2.488 72 V HA -0.048 4.072 4.120 0.000 0.000 0.246 72 V C 2.602 178.823 176.094 0.211 0.000 1.046 72 V CA 1.323 63.785 62.300 0.270 0.000 1.053 72 V CB -0.137 31.919 31.823 0.388 0.000 0.679 72 V HN 0.353 nan 8.190 nan 0.000 0.458 73 L N 1.590 122.927 121.223 0.189 0.000 2.017 73 L HA -0.033 4.307 4.340 0.000 0.000 0.208 73 L C 2.312 179.226 176.870 0.074 0.000 1.073 73 L CA 2.562 57.451 54.840 0.082 0.000 0.745 73 L CB -1.383 40.661 42.059 -0.024 0.000 0.894 73 L HN 0.261 nan 8.230 nan 0.000 0.432 74 G N -1.291 107.609 108.800 0.167 0.000 2.422 74 G HA2 -0.157 3.803 3.960 0.000 0.000 0.218 74 G HA3 -0.157 3.803 3.960 0.000 0.000 0.218 74 G C 1.479 176.487 174.900 0.181 0.000 1.140 74 G CA 0.525 45.731 45.100 0.176 0.000 0.775 74 G HN 0.613 nan 8.290 nan 0.000 0.545 75 G N 0.507 109.418 108.800 0.185 0.000 2.403 75 G HA2 -0.176 3.784 3.960 0.000 0.000 0.216 75 G HA3 -0.176 3.784 3.960 0.000 0.000 0.216 75 G C 1.452 176.411 174.900 0.098 0.000 1.154 75 G CA 1.240 46.428 45.100 0.146 0.000 0.784 75 G HN 0.466 nan 8.290 nan 0.000 0.538 76 D N 1.461 121.910 120.400 0.082 0.000 2.078 76 D HA -0.109 4.531 4.640 0.000 0.000 0.193 76 D C 2.720 179.036 176.300 0.026 0.000 0.990 76 D CA 1.414 55.443 54.000 0.049 0.000 0.827 76 D CB -0.293 40.532 40.800 0.042 0.000 0.975 76 D HN 0.202 nan 8.370 nan 0.000 0.451 77 A N 0.822 123.646 122.820 0.006 0.000 1.986 77 A HA -0.165 4.155 4.320 0.000 0.000 0.220 77 A C 2.557 180.139 177.584 -0.003 0.000 1.171 77 A CA 1.316 53.339 52.037 -0.024 0.000 0.640 77 A CB -0.770 18.181 19.000 -0.081 0.000 0.811 77 A HN 0.432 nan 8.150 nan 0.000 0.451 78 I N -0.598 119.989 120.570 0.029 0.000 2.163 78 I HA -0.246 3.924 4.170 0.000 0.000 0.240 78 I C 3.006 179.148 176.117 0.042 0.000 1.081 78 I CA 1.001 62.329 61.300 0.047 0.000 1.353 78 I CB -0.396 37.653 38.000 0.082 0.000 1.054 78 I HN 0.349 nan 8.210 nan 0.000 0.407 79 A N 0.972 123.818 122.820 0.044 0.000 1.917 79 A HA -0.236 4.084 4.320 0.000 0.000 0.219 79 A C 2.272 179.870 177.584 0.025 0.000 1.182 79 A CA 1.663 53.722 52.037 0.036 0.000 0.633 79 A CB -0.702 18.320 19.000 0.036 0.000 0.819 79 A HN 0.377 nan 8.150 nan 0.000 0.448 80 R N -1.139 119.371 120.500 0.018 0.000 2.357 80 R HA 0.115 4.455 4.340 0.000 0.000 0.202 80 R C 1.258 177.566 176.300 0.014 0.000 1.047 80 R CA 0.482 56.589 56.100 0.011 0.000 1.034 80 R CB -0.419 29.882 30.300 0.002 0.000 0.875 80 R HN 0.758 nan 8.270 nan 0.000 0.473 81 G N 1.302 110.115 108.800 0.021 0.000 2.198 81 G HA2 -0.312 3.648 3.960 0.000 0.000 0.260 81 G HA3 -0.312 3.648 3.960 0.000 0.000 0.260 81 G C 0.448 175.366 174.900 0.031 0.000 1.025 81 G CA 0.546 45.663 45.100 0.028 0.000 0.769 81 G HN 0.462 nan 8.290 nan 0.000 0.507 82 E N -0.889 119.323 120.200 0.020 0.000 2.122 82 E HA 0.251 4.601 4.350 0.000 0.000 0.190 82 E C 1.620 178.241 176.600 0.035 0.000 0.977 82 E CA 1.121 57.532 56.400 0.017 0.000 0.820 82 E CB 0.152 29.842 29.700 -0.016 0.000 0.770 82 E HN 0.909 nan 8.360 nan 0.000 0.462 83 I N -3.102 117.473 120.570 0.008 0.000 3.264 83 I HA 0.542 4.712 4.170 0.000 0.000 0.315 83 I C -1.267 174.883 176.117 0.054 0.000 1.154 83 I CA -1.174 60.127 61.300 0.001 0.000 0.962 83 I CB 2.271 40.138 38.000 -0.222 0.000 1.265 83 I HN -0.384 nan 8.210 nan 0.000 0.463 84 K N 1.841 122.292 120.400 0.086 0.000 2.565 84 K HA 0.494 4.814 4.320 0.000 0.000 0.249 84 K C 0.200 176.858 176.600 0.098 0.000 0.958 84 K CA -0.631 55.712 56.287 0.093 0.000 0.806 84 K CB 2.296 34.859 32.500 0.105 0.000 1.194 84 K HN 0.687 nan 8.250 nan 0.000 0.434 85 L N 0.960 122.232 121.223 0.082 0.000 2.064 85 L HA -0.316 4.024 4.340 0.000 0.000 0.216 85 L C 2.083 178.982 176.870 0.049 0.000 1.077 85 L CA 2.083 56.956 54.840 0.055 0.000 0.766 85 L CB -0.517 41.538 42.059 -0.006 0.000 0.890 85 L HN 0.733 nan 8.230 nan 0.000 0.435 86 S N -2.030 113.701 115.700 0.053 0.000 2.474 86 S HA -0.093 4.377 4.470 0.000 0.000 0.235 86 S C 0.670 175.320 174.600 0.083 0.000 0.997 86 S CA 0.111 58.339 58.200 0.047 0.000 0.949 86 S CB -0.610 62.619 63.200 0.048 0.000 0.766 86 S HN 0.287 nan 8.310 nan 0.000 0.517 87 D N 4.371 124.850 120.400 0.132 0.000 2.533 87 D HA 0.182 4.822 4.640 0.000 0.000 0.236 87 D C -2.505 173.912 176.300 0.196 0.000 1.137 87 D CA -1.117 52.997 54.000 0.190 0.000 0.867 87 D CB 0.566 41.580 40.800 0.357 0.000 1.170 87 D HN 0.229 nan 8.370 nan 0.000 0.474 88 P HA -0.025 nan 4.420 nan 0.000 0.268 88 P C 1.073 178.484 177.300 0.185 0.000 1.204 88 P CA -0.324 62.867 63.100 0.152 0.000 0.768 88 P CB 0.748 32.512 31.700 0.106 0.000 0.842 89 V N 2.207 122.249 119.914 0.213 0.000 2.568 89 V HA -0.242 3.878 4.120 0.000 0.000 0.253 89 V C 2.586 178.735 176.094 0.091 0.000 1.072 89 V CA 2.676 65.083 62.300 0.179 0.000 1.084 89 V CB -1.490 30.416 31.823 0.139 0.000 0.676 89 V HN 0.735 nan 8.190 nan 0.000 0.469 90 T N -0.372 114.216 114.554 0.058 0.000 2.708 90 T HA -0.335 4.015 4.350 0.000 0.000 0.266 90 T C 1.966 176.645 174.700 -0.036 0.000 1.037 90 T CA 2.166 64.266 62.100 -0.001 0.000 1.146 90 T CB -0.272 68.613 68.868 0.029 0.000 0.865 90 T HN 0.616 nan 8.240 nan 0.000 0.435 91 Q N -0.911 118.823 119.800 -0.110 0.000 2.156 91 Q HA -0.223 4.117 4.340 0.000 0.000 0.211 91 Q C 1.717 177.380 176.000 -0.562 0.000 0.995 91 Q CA 2.263 57.844 55.803 -0.370 0.000 0.877 91 Q CB -0.492 27.942 28.738 -0.506 0.000 0.920 91 Q HN 0.788 nan 8.270 nan 0.000 0.416 92 Y N -2.671 117.642 120.300 0.023 0.000 2.517 92 Y HA 0.083 4.633 4.550 -0.000 0.000 0.281 92 Y C 0.179 176.113 175.900 0.056 0.000 1.125 92 Y CA 0.113 58.213 58.100 0.001 0.000 1.283 92 Y CB 0.564 38.994 38.460 -0.050 0.000 1.042 92 Y HN 0.239 nan 8.280 nan 0.000 0.547 93 W N 1.778 123.040 121.300 -0.064 0.000 2.073 93 W HA 0.363 5.023 4.660 -0.000 0.000 0.295 93 W C -2.562 173.884 176.519 -0.121 0.000 1.005 93 W CA -3.457 53.825 57.345 -0.104 0.000 1.451 93 W CB 0.933 30.291 29.460 -0.171 0.000 1.515 93 W HN -0.113 nan 8.180 nan 0.000 0.341 94 P HA -0.201 nan 4.420 nan 0.000 0.218 94 P C 1.394 178.672 177.300 -0.037 0.000 1.149 94 P CA 1.759 64.871 63.100 0.019 0.000 0.817 94 P CB 0.323 32.035 31.700 0.019 0.000 0.785 95 E N 0.038 120.234 120.200 -0.006 0.000 2.219 95 E HA -0.176 4.174 4.350 0.000 0.000 0.198 95 E C 0.877 177.295 176.600 -0.303 0.000 0.998 95 E CA 0.419 56.764 56.400 -0.092 0.000 0.818 95 E CB -0.905 28.818 29.700 0.039 0.000 0.741 95 E HN 0.110 nan 8.360 nan 0.000 0.477 96 L N 2.089 122.969 121.223 -0.570 0.000 2.376 96 L HA 0.176 4.516 4.340 0.000 0.000 0.250 96 L C -0.664 176.021 176.870 -0.308 0.000 1.335 96 L CA 0.133 54.572 54.840 -0.668 0.000 1.214 96 L CB -0.085 41.279 42.059 -1.158 0.000 1.395 96 L HN -0.138 nan 8.230 nan 0.000 0.424 97 T N 2.721 117.185 114.554 -0.151 0.000 2.918 97 T HA 0.585 4.935 4.350 0.000 0.000 0.302 97 T C 0.271 175.019 174.700 0.081 0.000 1.045 97 T CA 0.509 62.595 62.100 -0.024 0.000 1.114 97 T CB 0.806 69.661 68.868 -0.022 0.000 0.965 97 T HN 0.981 nan 8.240 nan 0.000 0.540 98 G N 2.317 111.184 108.800 0.112 0.000 3.400 98 G HA2 -0.072 3.888 3.960 0.000 0.000 0.679 98 G HA3 -0.072 3.888 3.960 0.000 0.000 0.679 98 G C 0.327 175.330 174.900 0.173 0.000 1.239 98 G CA -0.829 44.357 45.100 0.144 0.000 1.049 98 G HN 0.522 nan 8.290 nan 0.000 0.539 99 K N 1.278 121.728 120.400 0.083 0.000 2.444 99 K HA -0.201 4.119 4.320 0.000 0.000 0.200 99 K C 2.623 179.229 176.600 0.009 0.000 1.045 99 K CA 1.853 58.171 56.287 0.052 0.000 0.934 99 K CB 0.003 32.507 32.500 0.006 0.000 0.756 99 K HN 0.884 nan 8.250 nan 0.000 0.477 100 Q N -0.942 118.820 119.800 -0.063 0.000 2.297 100 Q HA -0.154 4.186 4.340 0.000 0.000 0.204 100 Q C 1.462 177.322 176.000 -0.232 0.000 0.962 100 Q CA 1.144 56.788 55.803 -0.265 0.000 0.879 100 Q CB -0.474 27.961 28.738 -0.505 0.000 0.947 100 Q HN 0.468 nan 8.270 nan 0.000 0.462 101 W N 1.678 123.053 121.300 0.124 0.000 2.863 101 W HA 0.150 4.810 4.660 -0.000 0.000 0.258 101 W C 2.377 178.974 176.519 0.129 0.000 1.298 101 W CA -0.027 57.414 57.345 0.161 0.000 1.451 101 W CB 0.347 29.877 29.460 0.115 0.000 1.107 101 W HN 0.149 nan 8.180 nan 0.000 0.641 102 Q N -0.206 119.765 119.800 0.286 0.000 2.062 102 Q HA -0.189 4.151 4.340 0.000 0.000 0.209 102 Q C 2.194 178.318 176.000 0.206 0.000 0.996 102 Q CA 1.703 57.629 55.803 0.204 0.000 0.859 102 Q CB -0.948 27.867 28.738 0.129 0.000 0.920 102 Q HN 0.362 nan 8.270 nan 0.000 0.415 103 G N 0.070 108.986 108.800 0.194 0.000 3.233 103 G HA2 0.203 4.163 3.960 0.000 0.000 0.227 103 G HA3 0.203 4.163 3.960 0.000 0.000 0.227 103 G C 0.371 175.480 174.900 0.349 0.000 1.175 103 G CA -0.286 44.948 45.100 0.223 0.000 0.781 103 G HN 0.105 nan 8.290 nan 0.000 0.542 104 I N 2.765 123.585 120.570 0.417 0.000 2.291 104 I HA 0.192 4.362 4.170 0.000 0.000 0.290 104 I C 0.661 177.058 176.117 0.467 0.000 1.050 104 I CA -0.329 61.346 61.300 0.625 0.000 1.245 104 I CB 1.001 39.359 38.000 0.597 0.000 1.405 104 I HN 0.140 nan 8.210 nan 0.000 0.478 105 S N 6.134 121.995 115.700 0.268 0.000 2.719 105 S HA 0.449 4.919 4.470 0.000 0.000 0.285 105 S C 1.004 175.664 174.600 0.100 0.000 1.137 105 S CA -0.788 57.463 58.200 0.086 0.000 1.012 105 S CB 1.546 64.655 63.200 -0.152 0.000 1.134 105 S HN 0.584 nan 8.310 nan 0.000 0.544 106 L N 0.014 121.301 121.223 0.107 0.000 2.141 106 L HA -0.006 4.334 4.340 0.000 0.000 0.209 106 L C 2.460 179.361 176.870 0.052 0.000 1.094 106 L CA 0.765 55.704 54.840 0.164 0.000 0.763 106 L CB -0.554 41.626 42.059 0.202 0.000 0.908 106 L HN 0.712 nan 8.230 nan 0.000 0.437 107 L N -0.590 120.599 121.223 -0.056 0.000 2.046 107 L HA -0.266 4.074 4.340 0.000 0.000 0.208 107 L C 2.380 179.266 176.870 0.027 0.000 1.077 107 L CA 1.844 56.623 54.840 -0.101 0.000 0.747 107 L CB -0.428 41.587 42.059 -0.075 0.000 0.896 107 L HN 0.255 nan 8.230 nan 0.000 0.432 108 H N -0.997 118.172 119.070 0.165 0.000 2.289 108 H HA -0.227 4.329 4.556 -0.000 0.000 0.296 108 H C 2.217 177.579 175.328 0.055 0.000 1.091 108 H CA 1.841 57.982 56.048 0.155 0.000 1.274 108 H CB -0.256 29.625 29.762 0.198 0.000 1.364 108 H HN 0.315 nan 8.280 nan 0.000 0.490 109 L N 0.242 121.576 121.223 0.185 0.000 1.961 109 L HA -0.229 4.111 4.340 0.000 0.000 0.210 109 L C 2.977 179.762 176.870 -0.143 0.000 1.072 109 L CA 0.897 55.796 54.840 0.098 0.000 0.749 109 L CB -0.694 41.479 42.059 0.189 0.000 0.889 109 L HN 0.359 nan 8.230 nan 0.000 0.432 110 A N 0.189 122.792 122.820 -0.362 0.000 1.881 110 A HA -0.310 4.010 4.320 0.000 0.000 0.219 110 A C 2.136 179.294 177.584 -0.711 0.000 1.215 110 A CA 2.962 54.481 52.037 -0.862 0.000 0.648 110 A CB -1.397 16.800 19.000 -1.337 0.000 0.832 110 A HN 0.568 nan 8.150 nan 0.000 0.455 111 T N -5.188 109.095 114.554 -0.451 0.000 3.272 111 T HA 0.274 4.624 4.350 0.000 0.000 0.250 111 T C 0.306 174.863 174.700 -0.238 0.000 1.082 111 T CA 0.443 62.334 62.100 -0.348 0.000 0.968 111 T CB -0.911 68.025 68.868 0.113 0.000 1.015 111 T HN 0.829 nan 8.240 nan 0.000 0.563 112 Y N 0.491 120.777 120.300 -0.023 0.000 4.079 112 Y HA -0.256 4.294 4.550 -0.000 0.000 0.223 112 Y C 0.965 176.842 175.900 -0.037 0.000 1.155 112 Y CA 0.561 58.647 58.100 -0.023 0.000 1.805 112 Y CB -3.160 35.278 38.460 -0.037 0.000 1.571 112 Y HN 0.624 nan 8.280 nan 0.000 0.654 113 T N -4.164 110.415 114.554 0.042 0.000 3.313 113 T HA 0.768 5.118 4.350 0.000 0.000 0.263 113 T C 1.088 175.761 174.700 -0.044 0.000 0.983 113 T CA -0.004 62.035 62.100 -0.101 0.000 0.963 113 T CB 0.735 69.284 68.868 -0.532 0.000 1.141 113 T HN 0.481 nan 8.240 nan 0.000 0.526 114 A N 1.032 123.900 122.820 0.079 0.000 1.975 114 A HA 0.677 4.997 4.320 0.000 0.000 0.215 114 A C 1.868 179.521 177.584 0.116 0.000 1.170 114 A CA 0.686 52.765 52.037 0.070 0.000 0.656 114 A CB -0.418 18.660 19.000 0.129 0.000 0.821 114 A HN 1.395 nan 8.150 nan 0.000 0.449 115 G N -2.943 106.015 108.800 0.264 0.000 3.136 115 G HA2 0.471 4.431 3.960 0.000 0.000 0.221 115 G HA3 0.471 4.431 3.960 0.000 0.000 0.221 115 G C 0.806 175.857 174.900 0.251 0.000 0.961 115 G CA 0.353 45.648 45.100 0.325 0.000 0.983 115 G HN 1.897 nan 8.290 nan 0.000 0.648 116 G N -0.182 108.839 108.800 0.368 0.000 2.756 116 G HA2 -0.053 3.907 3.960 0.000 0.000 0.272 116 G HA3 -0.053 3.907 3.960 0.000 0.000 0.272 116 G C 0.056 175.117 174.900 0.269 0.000 1.128 116 G CA 0.052 45.281 45.100 0.215 0.000 1.145 116 G HN 1.069 nan 8.290 nan 0.000 0.545 117 L N 2.060 123.370 121.223 0.145 0.000 2.371 117 L HA 0.500 4.840 4.340 0.000 0.000 0.272 117 L C -1.021 175.898 176.870 0.081 0.000 1.124 117 L CA -2.071 52.692 54.840 -0.128 0.000 0.816 117 L CB 1.188 43.081 42.059 -0.278 0.000 1.129 117 L HN 0.217 nan 8.230 nan 0.000 0.448 118 P HA -0.047 nan 4.420 nan 0.000 0.272 118 P C 0.468 177.855 177.300 0.145 0.000 1.230 118 P CA -0.423 62.776 63.100 0.165 0.000 0.788 118 P CB 0.896 32.731 31.700 0.226 0.000 0.949 119 L N 0.268 121.570 121.223 0.132 0.000 2.079 119 L HA -0.132 4.208 4.340 0.000 0.000 0.210 119 L C 0.872 177.809 176.870 0.113 0.000 1.081 119 L CA 2.031 56.947 54.840 0.126 0.000 0.752 119 L CB -0.504 41.634 42.059 0.131 0.000 0.896 119 L HN 0.377 nan 8.230 nan 0.000 0.433 120 Q N -1.165 118.690 119.800 0.090 0.000 2.495 120 Q HA 0.461 4.801 4.340 0.000 0.000 0.287 120 Q C -0.998 174.994 176.000 -0.014 0.000 1.078 120 Q CA -0.931 54.905 55.803 0.056 0.000 0.793 120 Q CB 1.988 30.742 28.738 0.028 0.000 1.459 120 Q HN -0.142 nan 8.270 nan 0.000 0.422 121 V N 2.061 121.910 119.914 -0.108 0.000 2.498 121 V HA 0.231 4.351 4.120 0.000 0.000 0.279 121 V C -2.148 173.746 176.094 -0.334 0.000 1.048 121 V CA -1.659 60.393 62.300 -0.414 0.000 0.967 121 V CB 0.694 32.273 31.823 -0.406 0.000 0.988 121 V HN 0.583 nan 8.190 nan 0.000 0.473 122 P HA 0.056 nan 4.420 nan 0.000 0.256 122 P C 0.016 177.208 177.300 -0.181 0.000 1.189 122 P CA 0.056 63.025 63.100 -0.220 0.000 0.808 122 P CB 0.172 31.766 31.700 -0.177 0.000 0.793 123 D N 1.803 122.142 120.400 -0.102 0.000 2.429 123 D HA -0.134 4.506 4.640 0.000 0.000 0.237 123 D C 1.052 177.324 176.300 -0.047 0.000 1.045 123 D CA 0.953 54.916 54.000 -0.062 0.000 0.974 123 D CB -0.299 40.485 40.800 -0.027 0.000 0.871 123 D HN 0.495 nan 8.370 nan 0.000 0.525 124 D N -0.823 119.543 120.400 -0.056 0.000 2.363 124 D HA -0.047 4.593 4.640 0.000 0.000 0.214 124 D C 0.012 176.289 176.300 -0.037 0.000 1.093 124 D CA -0.088 53.893 54.000 -0.032 0.000 0.837 124 D CB 0.269 41.059 40.800 -0.018 0.000 0.948 124 D HN -0.092 nan 8.370 nan 0.000 0.507 125 V N 2.013 121.882 119.914 -0.073 0.000 2.250 125 V HA 0.226 4.346 4.120 0.000 0.000 0.268 125 V C 0.749 176.812 176.094 -0.052 0.000 1.043 125 V CA -0.097 62.153 62.300 -0.083 0.000 0.814 125 V CB 0.921 32.619 31.823 -0.210 0.000 1.072 125 V HN 0.324 nan 8.190 nan 0.000 0.451 126 T N -1.427 113.118 114.554 -0.015 0.000 3.228 126 T HA 0.355 4.705 4.350 0.000 0.000 0.278 126 T C -0.139 174.569 174.700 0.012 0.000 1.014 126 T CA -0.209 61.890 62.100 -0.001 0.000 0.904 126 T CB -0.024 68.846 68.868 0.003 0.000 1.110 126 T HN 0.641 nan 8.240 nan 0.000 0.541 127 D N -0.510 119.903 120.400 0.022 0.000 2.643 127 D HA 0.338 4.978 4.640 0.000 0.000 0.283 127 D C 0.365 176.702 176.300 0.062 0.000 1.242 127 D CA -1.005 53.017 54.000 0.036 0.000 0.863 127 D CB 1.238 42.060 40.800 0.036 0.000 1.382 127 D HN -0.107 nan 8.370 nan 0.000 0.444 128 K N -0.195 120.249 120.400 0.073 0.000 2.305 128 K HA 0.243 4.563 4.320 0.000 0.000 0.199 128 K C 1.787 178.489 176.600 0.169 0.000 1.047 128 K CA 0.788 57.150 56.287 0.126 0.000 0.976 128 K CB -0.001 32.556 32.500 0.096 0.000 0.765 128 K HN 0.451 nan 8.250 nan 0.000 0.474 129 A N 1.516 124.409 122.820 0.121 0.000 1.902 129 A HA -0.141 4.179 4.320 0.000 0.000 0.217 129 A C 2.329 179.989 177.584 0.127 0.000 1.181 129 A CA 1.973 54.080 52.037 0.117 0.000 0.623 129 A CB -0.602 18.445 19.000 0.079 0.000 0.818 129 A HN 0.311 nan 8.150 nan 0.000 0.443 130 A N -1.143 121.743 122.820 0.111 0.000 1.968 130 A HA 0.126 4.446 4.320 0.000 0.000 0.217 130 A C 2.017 179.695 177.584 0.156 0.000 1.169 130 A CA 1.407 53.508 52.037 0.107 0.000 0.638 130 A CB -0.434 18.602 19.000 0.060 0.000 0.812 130 A HN 0.491 nan 8.150 nan 0.000 0.446 131 L N -0.696 120.647 121.223 0.200 0.000 2.141 131 L HA -0.063 4.277 4.340 0.000 0.000 0.209 131 L C 2.180 179.336 176.870 0.477 0.000 1.094 131 L CA 1.570 56.600 54.840 0.317 0.000 0.763 131 L CB -0.536 41.736 42.059 0.355 0.000 0.908 131 L HN 0.422 nan 8.230 nan 0.000 0.437 132 L N -0.792 120.654 121.223 0.372 0.000 2.044 132 L HA -0.126 4.214 4.340 0.000 0.000 0.205 132 L C 2.662 179.612 176.870 0.133 0.000 1.075 132 L CA 1.533 56.472 54.840 0.165 0.000 0.747 132 L CB -0.603 41.521 42.059 0.108 0.000 0.903 132 L HN 0.172 nan 8.230 nan 0.000 0.435 133 R N -1.353 119.239 120.500 0.154 0.000 2.096 133 R HA -0.258 4.082 4.340 0.000 0.000 0.240 133 R C 2.274 178.684 176.300 0.184 0.000 1.139 133 R CA 2.180 58.361 56.100 0.136 0.000 0.952 133 R CB -0.659 29.717 30.300 0.128 0.000 0.854 133 R HN 0.447 nan 8.270 nan 0.000 0.436 134 F N 0.249 120.226 119.950 0.046 0.000 2.025 134 F HA -0.297 4.230 4.527 -0.000 0.000 0.297 134 F C 1.731 177.571 175.800 0.067 0.000 1.132 134 F CA 1.721 59.713 58.000 -0.013 0.000 1.191 134 F CB -0.873 38.021 39.000 -0.176 0.000 0.963 134 F HN 0.033 nan 8.300 nan 0.000 0.481 135 Y N 0.162 120.529 120.300 0.111 0.000 2.352 135 Y HA -0.174 4.376 4.550 -0.000 0.000 0.292 135 Y C 2.678 178.742 175.900 0.274 0.000 1.136 135 Y CA 1.601 59.765 58.100 0.108 0.000 1.227 135 Y CB -1.039 37.465 38.460 0.073 0.000 0.991 135 Y HN 0.251 nan 8.280 nan 0.000 0.545 136 Q N 0.466 120.414 119.800 0.248 0.000 2.046 136 Q HA -0.140 4.200 4.340 0.000 0.000 0.200 136 Q C 1.387 177.490 176.000 0.173 0.000 0.975 136 Q CA 1.794 57.709 55.803 0.186 0.000 0.836 136 Q CB -0.040 28.741 28.738 0.072 0.000 0.896 136 Q HN 0.385 nan 8.270 nan 0.000 0.428 137 N N -0.674 118.092 118.700 0.110 0.000 2.461 137 N HA -0.029 4.711 4.740 0.000 0.000 0.188 137 N C -0.446 175.070 175.510 0.011 0.000 1.134 137 N CA 0.067 53.145 53.050 0.045 0.000 0.878 137 N CB -0.298 38.210 38.487 0.035 0.000 0.972 137 N HN 0.300 nan 8.380 nan 0.000 0.456 138 W N 2.360 123.544 121.300 -0.193 0.000 2.170 138 W HA 0.087 4.746 4.660 -0.000 0.000 0.342 138 W C -0.053 176.313 176.519 -0.256 0.000 1.294 138 W CA -0.137 57.026 57.345 -0.304 0.000 1.246 138 W CB 0.560 29.741 29.460 -0.465 0.000 1.156 138 W HN -0.106 nan 8.180 nan 0.000 0.572 139 Q N 7.434 126.603 119.800 -1.052 0.000 2.381 139 Q HA 0.286 4.626 4.340 0.000 0.000 0.263 139 Q C -2.125 173.045 176.000 -1.384 0.000 1.030 139 Q CA -2.260 52.916 55.803 -1.045 0.000 0.772 139 Q CB 1.490 29.921 28.738 -0.511 0.000 1.232 139 Q HN 0.234 nan 8.270 nan 0.000 0.476 140 P HA -0.001 nan 4.420 nan 0.000 0.268 140 P C -0.250 176.639 177.300 -0.685 0.000 1.205 140 P CA 0.273 62.749 63.100 -1.039 0.000 0.771 140 P CB 0.985 32.177 31.700 -0.846 0.000 0.858 141 Q N 1.131 120.480 119.800 -0.752 0.000 2.165 141 Q HA 0.064 4.404 4.340 0.000 0.000 0.197 141 Q C 0.015 175.410 176.000 -1.008 0.000 0.952 141 Q CA 1.237 56.391 55.803 -1.081 0.000 0.848 141 Q CB 0.215 27.942 28.738 -1.685 0.000 0.931 141 Q HN 0.582 nan 8.270 nan 0.000 0.470 142 W N -1.076 120.176 121.300 -0.080 0.000 3.031 142 W HA 0.700 5.360 4.660 0.001 0.000 0.337 142 W C -0.681 175.783 176.519 -0.091 0.000 1.187 142 W CA -1.684 55.615 57.345 -0.076 0.000 1.166 142 W CB 0.262 29.689 29.460 -0.054 0.000 1.437 142 W HN -0.168 nan 8.180 nan 0.000 0.551 143 A N 2.506 125.418 122.820 0.153 0.000 2.448 143 A HA 0.483 4.803 4.320 0.000 0.000 0.239 143 A C -2.182 175.430 177.584 0.047 0.000 1.080 143 A CA -0.694 51.376 52.037 0.055 0.000 0.779 143 A CB -0.805 18.229 19.000 0.057 0.000 1.026 143 A HN 0.209 nan 8.150 nan 0.000 0.499 144 P HA 0.329 nan 4.420 nan 0.000 0.271 144 P C 0.876 178.113 177.300 -0.104 0.000 1.218 144 P CA 1.414 64.362 63.100 -0.252 0.000 0.780 144 P CB 0.645 32.041 31.700 -0.506 0.000 0.901 145 G N 0.981 109.693 108.800 -0.147 0.000 2.162 145 G HA2 -0.272 3.688 3.960 0.000 0.000 0.260 145 G HA3 -0.272 3.688 3.960 0.000 0.000 0.260 145 G C 0.892 175.748 174.900 -0.074 0.000 0.976 145 G CA 0.507 45.617 45.100 0.018 0.000 0.655 145 G HN 0.721 nan 8.290 nan 0.000 0.533 146 A N -0.543 122.212 122.820 -0.109 0.000 1.896 146 A HA 0.575 4.895 4.320 0.000 0.000 0.213 146 A C 1.314 178.735 177.584 -0.272 0.000 1.306 146 A CA 1.672 53.639 52.037 -0.117 0.000 0.626 146 A CB 0.214 19.191 19.000 -0.037 0.000 0.994 146 A HN 0.372 nan 8.150 nan 0.000 0.475 147 K N -0.592 119.574 120.400 -0.389 0.000 2.238 147 K HA 0.480 4.800 4.320 0.000 0.000 0.239 147 K C -0.668 175.702 176.600 -0.383 0.000 0.987 147 K CA -0.732 55.213 56.287 -0.570 0.000 0.857 147 K CB 1.891 33.613 32.500 -1.296 0.000 1.154 147 K HN 0.295 nan 8.250 nan 0.000 0.439 148 R N 2.445 122.757 120.500 -0.314 0.000 2.288 148 R HA 0.276 4.616 4.340 0.000 0.000 0.326 148 R C -1.528 174.736 176.300 -0.059 0.000 0.959 148 R CA -0.594 55.408 56.100 -0.163 0.000 0.834 148 R CB 0.513 30.738 30.300 -0.124 0.000 1.157 148 R HN 0.328 nan 8.270 nan 0.000 0.470 149 L N 6.280 127.547 121.223 0.074 0.000 2.433 149 L HA 0.260 4.600 4.340 0.000 0.000 0.256 149 L C -1.188 175.732 176.870 0.083 0.000 1.063 149 L CA -0.725 54.195 54.840 0.134 0.000 0.922 149 L CB 0.474 42.725 42.059 0.319 0.000 1.238 149 L HN 0.585 nan 8.230 nan 0.000 0.466 150 Y N 4.083 124.246 120.300 -0.228 0.000 3.083 150 Y HA 0.217 4.766 4.550 -0.000 0.000 0.350 150 Y C 0.203 175.987 175.900 -0.192 0.000 1.266 150 Y CA 1.160 58.910 58.100 -0.583 0.000 1.594 150 Y CB 0.345 38.512 38.460 -0.487 0.000 1.179 150 Y HN 0.800 nan 8.280 nan 0.000 0.602 151 A N 5.541 128.077 122.820 -0.473 0.000 2.547 151 A HA 0.295 4.615 4.320 0.000 0.000 0.298 151 A C -0.088 177.470 177.584 -0.043 0.000 1.062 151 A CA -0.800 51.183 52.037 -0.090 0.000 0.748 151 A CB 0.787 19.847 19.000 0.101 0.000 1.288 151 A HN 0.735 nan 8.150 nan 0.000 0.396 152 N N 1.127 119.843 118.700 0.027 0.000 2.106 152 N HA -0.148 4.592 4.740 0.000 0.000 0.188 152 N C 2.119 177.708 175.510 0.131 0.000 1.029 152 N CA 2.037 55.149 53.050 0.103 0.000 0.848 152 N CB -0.186 38.419 38.487 0.197 0.000 1.007 152 N HN 0.892 nan 8.380 nan 0.000 0.423 153 S N -0.537 115.262 115.700 0.165 0.000 2.500 153 S HA -0.023 4.447 4.470 0.000 0.000 0.239 153 S C 2.000 176.780 174.600 0.300 0.000 0.989 153 S CA 1.200 59.558 58.200 0.263 0.000 0.951 153 S CB -0.103 63.269 63.200 0.285 0.000 0.759 153 S HN 0.223 nan 8.310 nan 0.000 0.523 154 S N 1.135 116.951 115.700 0.192 0.000 2.310 154 S HA 0.195 4.665 4.470 0.000 0.000 0.205 154 S C 1.660 176.311 174.600 0.084 0.000 1.020 154 S CA 0.553 58.840 58.200 0.145 0.000 0.939 154 S CB -0.683 62.605 63.200 0.147 0.000 0.919 154 S HN 0.561 nan 8.310 nan 0.000 0.501 155 I N 1.448 122.024 120.570 0.010 0.000 2.361 155 I HA -0.034 4.136 4.170 0.000 0.000 0.251 155 I C 2.156 178.317 176.117 0.073 0.000 1.133 155 I CA 1.497 62.776 61.300 -0.035 0.000 1.413 155 I CB -0.690 37.212 38.000 -0.163 0.000 1.073 155 I HN 0.478 nan 8.210 nan 0.000 0.424 156 G N 0.823 109.654 108.800 0.051 0.000 2.459 156 G HA2 -0.327 3.633 3.960 0.000 0.000 0.217 156 G HA3 -0.327 3.633 3.960 0.000 0.000 0.217 156 G C 1.572 176.452 174.900 -0.034 0.000 1.183 156 G CA 1.099 46.189 45.100 -0.016 0.000 0.776 156 G HN 0.427 nan 8.290 nan 0.000 0.552 157 L N -0.218 121.032 121.223 0.045 0.000 2.265 157 L HA 0.143 4.483 4.340 0.000 0.000 0.215 157 L C 2.358 179.207 176.870 -0.035 0.000 1.117 157 L CA 1.413 56.231 54.840 -0.035 0.000 0.782 157 L CB -0.448 41.539 42.059 -0.119 0.000 0.914 157 L HN 0.287 nan 8.230 nan 0.000 0.441 158 F N -0.124 119.757 119.950 -0.115 0.000 2.098 158 F HA 0.054 4.581 4.527 0.000 0.000 0.294 158 F C 2.217 177.947 175.800 -0.117 0.000 1.107 158 F CA 1.553 59.483 58.000 -0.117 0.000 1.234 158 F CB -1.000 37.937 39.000 -0.105 0.000 1.002 158 F HN 0.062 nan 8.300 nan 0.000 0.472 159 G N 0.305 109.035 108.800 -0.115 0.000 2.529 159 G HA2 -0.362 3.598 3.960 0.000 0.000 0.219 159 G HA3 -0.362 3.598 3.960 0.000 0.000 0.219 159 G C 1.798 176.569 174.900 -0.215 0.000 1.177 159 G CA 1.249 46.261 45.100 -0.146 0.000 0.773 159 G HN 0.666 nan 8.290 nan 0.000 0.573 160 A N 0.009 122.651 122.820 -0.298 0.000 1.930 160 A HA 0.184 4.504 4.320 0.000 0.000 0.217 160 A C 2.438 179.845 177.584 -0.295 0.000 1.175 160 A CA 1.226 53.095 52.037 -0.280 0.000 0.627 160 A CB -0.261 18.550 19.000 -0.315 0.000 0.815 160 A HN 0.371 nan 8.150 nan 0.000 0.443 161 L N -1.263 119.757 121.223 -0.338 0.000 2.162 161 L HA -0.042 4.298 4.340 0.000 0.000 0.205 161 L C 2.935 179.517 176.870 -0.481 0.000 1.086 161 L CA 0.919 55.552 54.840 -0.344 0.000 0.778 161 L CB -0.539 41.361 42.059 -0.266 0.000 0.928 161 L HN 0.430 nan 8.230 nan 0.000 0.446 162 A N 0.046 122.496 122.820 -0.617 0.000 2.121 162 A HA -0.100 4.220 4.320 0.000 0.000 0.218 162 A C 1.975 179.313 177.584 -0.410 0.000 1.154 162 A CA 1.552 53.176 52.037 -0.688 0.000 0.679 162 A CB -0.489 17.834 19.000 -1.128 0.000 0.795 162 A HN 0.363 nan 8.150 nan 0.000 0.458 163 V N -4.229 115.521 119.914 -0.274 0.000 3.621 163 V HA 0.144 4.264 4.120 0.000 0.000 0.285 163 V C 1.587 177.599 176.094 -0.136 0.000 1.346 163 V CA 0.689 62.888 62.300 -0.169 0.000 1.104 163 V CB -0.299 31.464 31.823 -0.099 0.000 0.913 163 V HN 0.347 nan 8.190 nan 0.000 0.432 164 K N 1.362 121.671 120.400 -0.152 0.000 2.001 164 K HA -0.119 4.201 4.320 0.000 0.000 0.214 164 K C 0.078 176.661 176.600 -0.027 0.000 1.050 164 K CA 2.453 58.694 56.287 -0.077 0.000 0.934 164 K CB -1.655 30.835 32.500 -0.017 0.000 0.718 164 K HN 0.456 nan 8.250 nan 0.000 0.443 165 P HA -0.250 nan 4.420 nan 0.000 0.216 165 P C 1.583 178.877 177.300 -0.010 0.000 1.167 165 P CA 2.192 65.309 63.100 0.029 0.000 0.914 165 P CB -0.163 31.566 31.700 0.048 0.000 0.793 166 S N -1.410 114.267 115.700 -0.037 0.000 2.440 166 S HA -0.084 4.386 4.470 0.000 0.000 0.240 166 S C 1.823 176.398 174.600 -0.042 0.000 1.014 166 S CA 1.497 59.672 58.200 -0.043 0.000 0.980 166 S CB -1.683 61.480 63.200 -0.062 0.000 0.775 166 S HN 0.408 nan 8.310 nan 0.000 0.499 167 G N 0.372 109.146 108.800 -0.043 0.000 2.159 167 G HA2 -0.272 3.688 3.960 0.000 0.000 0.256 167 G HA3 -0.272 3.688 3.960 0.000 0.000 0.256 167 G C -0.003 174.867 174.900 -0.050 0.000 0.977 167 G CA 0.596 45.671 45.100 -0.042 0.000 0.652 167 G HN 0.582 nan 8.290 nan 0.000 0.531 168 M N 1.146 120.710 119.600 -0.059 0.000 2.471 168 M HA 0.577 5.057 4.480 0.000 0.000 0.309 168 M C 1.117 177.380 176.300 -0.061 0.000 1.186 168 M CA -0.198 55.064 55.300 -0.064 0.000 1.008 168 M CB 1.657 34.212 32.600 -0.076 0.000 1.551 168 M HN 0.405 nan 8.290 nan 0.000 0.477 169 S N -0.159 115.509 115.700 -0.053 0.000 2.669 169 S HA 0.189 4.659 4.470 0.000 0.000 0.270 169 S C 0.690 175.285 174.600 -0.010 0.000 1.225 169 S CA -0.593 57.587 58.200 -0.033 0.000 0.991 169 S CB 0.466 63.649 63.200 -0.029 0.000 0.987 169 S HN 0.761 nan 8.310 nan 0.000 0.552 170 Y N 0.950 121.178 120.300 -0.120 0.000 2.097 170 Y HA -0.222 4.328 4.550 -0.000 0.000 0.282 170 Y C 2.695 178.531 175.900 -0.107 0.000 1.152 170 Y CA 2.425 60.452 58.100 -0.122 0.000 1.136 170 Y CB -0.372 38.008 38.460 -0.132 0.000 0.975 170 Y HN 0.985 nan 8.280 nan 0.000 0.498 171 E N 0.128 120.340 120.200 0.021 0.000 2.097 171 E HA -0.326 4.024 4.350 0.000 0.000 0.196 171 E C 2.198 178.723 176.600 -0.124 0.000 1.000 171 E CA 1.755 58.118 56.400 -0.062 0.000 0.804 171 E CB -0.371 29.322 29.700 -0.013 0.000 0.740 171 E HN 0.704 nan 8.360 nan 0.000 0.454 172 E N -0.217 119.922 120.200 -0.101 0.000 2.047 172 E HA -0.197 4.153 4.350 0.000 0.000 0.191 172 E C 1.997 178.516 176.600 -0.136 0.000 0.987 172 E CA 0.991 57.328 56.400 -0.105 0.000 0.799 172 E CB -0.193 29.458 29.700 -0.081 0.000 0.752 172 E HN 0.380 nan 8.360 nan 0.000 0.449 173 A N 1.004 123.724 122.820 -0.167 0.000 1.877 173 A HA -0.203 4.117 4.320 0.000 0.000 0.216 173 A C 2.140 179.600 177.584 -0.207 0.000 1.186 173 A CA 1.773 53.703 52.037 -0.179 0.000 0.620 173 A CB -0.624 18.255 19.000 -0.202 0.000 0.822 173 A HN 0.404 nan 8.150 nan 0.000 0.443 174 M N 0.191 119.599 119.600 -0.320 0.000 2.082 174 M HA -0.157 4.323 4.480 0.000 0.000 0.258 174 M C 2.306 178.492 176.300 -0.190 0.000 1.071 174 M CA 2.519 57.623 55.300 -0.328 0.000 1.103 174 M CB -0.768 31.541 32.600 -0.486 0.000 1.307 174 M HN 0.411 nan 8.290 nan 0.000 0.409 175 S N -0.409 115.195 115.700 -0.161 0.000 2.354 175 S HA -0.243 4.227 4.470 0.000 0.000 0.219 175 S C 2.101 176.696 174.600 -0.008 0.000 1.035 175 S CA 2.108 60.264 58.200 -0.073 0.000 1.037 175 S CB -0.465 62.683 63.200 -0.087 0.000 0.956 175 S HN 0.586 nan 8.310 nan 0.000 0.428 176 K N 0.184 120.539 120.400 -0.075 0.000 1.991 176 K HA -0.063 4.257 4.320 0.000 0.000 0.212 176 K C 2.425 179.006 176.600 -0.031 0.000 1.049 176 K CA 1.617 57.858 56.287 -0.077 0.000 0.932 176 K CB -0.150 32.294 32.500 -0.093 0.000 0.717 176 K HN 0.371 nan 8.250 nan 0.000 0.441 177 R N -0.632 119.838 120.500 -0.049 0.000 2.240 177 R HA 0.026 4.366 4.340 0.000 0.000 0.203 177 R C 1.690 177.994 176.300 0.007 0.000 1.011 177 R CA 0.509 56.594 56.100 -0.026 0.000 1.007 177 R CB 0.441 30.715 30.300 -0.043 0.000 0.911 177 R HN 0.085 nan 8.270 nan 0.000 0.468 178 V N -0.171 119.748 119.914 0.009 0.000 3.177 178 V HA 0.001 4.121 4.120 0.000 0.000 0.219 178 V C 1.803 177.923 176.094 0.044 0.000 1.344 178 V CA 0.195 62.535 62.300 0.066 0.000 1.324 178 V CB 0.084 31.968 31.823 0.101 0.000 1.165 178 V HN 0.053 nan 8.190 nan 0.000 0.510 179 L N -0.104 121.100 121.223 -0.032 0.000 2.017 179 L HA -0.143 4.197 4.340 0.000 0.000 0.208 179 L C 2.582 179.356 176.870 -0.161 0.000 1.073 179 L CA 1.882 56.649 54.840 -0.122 0.000 0.745 179 L CB -0.853 41.077 42.059 -0.216 0.000 0.894 179 L HN 0.452 nan 8.230 nan 0.000 0.432 180 H N -0.168 118.833 119.070 -0.115 0.000 2.299 180 H HA -0.076 4.480 4.556 0.000 0.000 0.302 180 H C -0.149 175.144 175.328 -0.059 0.000 1.078 180 H CA 1.730 57.718 56.048 -0.099 0.000 1.323 180 H CB -1.164 28.538 29.762 -0.099 0.000 1.381 180 H HN 0.225 nan 8.280 nan 0.000 0.498 181 P HA -0.158 nan 4.420 nan 0.000 0.216 181 P C 1.577 178.883 177.300 0.009 0.000 1.157 181 P CA 1.236 64.353 63.100 0.027 0.000 0.880 181 P CB -0.191 31.530 31.700 0.035 0.000 0.791 182 L N -1.766 119.468 121.223 0.018 0.000 2.552 182 L HA 0.019 4.359 4.340 0.000 0.000 0.227 182 L C 0.373 177.231 176.870 -0.020 0.000 1.146 182 L CA 0.502 55.361 54.840 0.032 0.000 0.858 182 L CB -0.805 41.332 42.059 0.131 0.000 0.969 182 L HN 0.022 nan 8.230 nan 0.000 0.451 183 K N 0.510 120.852 120.400 -0.097 0.000 3.239 183 K HA -0.157 4.163 4.320 0.000 0.000 0.270 183 K C -0.540 175.950 176.600 -0.183 0.000 1.083 183 K CA 0.236 56.425 56.287 -0.164 0.000 0.782 183 K CB -1.944 30.502 32.500 -0.090 0.000 1.290 183 K HN 0.219 nan 8.250 nan 0.000 0.474 184 L N 0.555 121.624 121.223 -0.256 0.000 2.407 184 L HA 0.280 4.620 4.340 0.000 0.000 0.261 184 L C 1.420 178.002 176.870 -0.480 0.000 1.108 184 L CA -0.139 54.551 54.840 -0.249 0.000 0.995 184 L CB 0.904 42.878 42.059 -0.141 0.000 1.349 184 L HN 0.418 nan 8.230 nan 0.000 0.423 185 A N 0.336 122.873 122.820 -0.471 0.000 2.238 185 A HA 0.002 4.322 4.320 0.000 0.000 0.208 185 A C 1.227 178.201 177.584 -1.016 0.000 1.177 185 A CA 0.704 52.327 52.037 -0.690 0.000 0.804 185 A CB -0.276 18.412 19.000 -0.521 0.000 0.823 185 A HN 0.675 nan 8.150 nan 0.000 0.482 186 H N -0.742 118.075 119.070 -0.421 0.000 2.649 186 H HA 0.189 4.745 4.556 -0.000 0.000 0.258 186 H C -0.768 174.320 175.328 -0.399 0.000 1.165 186 H CA 0.166 56.050 56.048 -0.274 0.000 1.006 186 H CB 0.516 30.241 29.762 -0.061 0.000 1.743 186 H HN 0.204 nan 8.280 nan 0.000 0.609 187 T N 1.410 115.549 114.554 -0.691 0.000 2.833 187 T HA 0.298 4.648 4.350 0.000 0.000 0.297 187 T C -0.713 173.480 174.700 -0.844 0.000 1.015 187 T CA -0.509 61.244 62.100 -0.578 0.000 0.963 187 T CB 0.889 69.484 68.868 -0.455 0.000 0.955 187 T HN 0.182 nan 8.240 nan 0.000 0.449 188 W N 1.844 122.963 121.300 -0.302 0.000 2.975 188 W HA 0.656 5.317 4.660 0.000 0.000 0.342 188 W C 0.558 176.884 176.519 -0.321 0.000 1.168 188 W CA -0.888 56.284 57.345 -0.289 0.000 1.141 188 W CB 1.009 30.302 29.460 -0.279 0.000 1.445 188 W HN 0.423 nan 8.180 nan 0.000 0.560 189 I N 0.253 120.828 120.570 0.008 0.000 3.194 189 I HA 0.065 4.235 4.170 0.000 0.000 0.271 189 I C 0.306 176.399 176.117 -0.039 0.000 1.150 189 I CA 0.633 61.896 61.300 -0.062 0.000 1.440 189 I CB 0.336 38.298 38.000 -0.063 0.000 1.276 189 I HN 0.255 nan 8.210 nan 0.000 0.457 190 T N 2.713 117.277 114.554 0.015 0.000 2.963 190 T HA 0.351 4.701 4.350 0.000 0.000 0.343 190 T C -0.239 174.379 174.700 -0.138 0.000 1.146 190 T CA -0.275 61.798 62.100 -0.046 0.000 1.016 190 T CB 1.399 70.247 68.868 -0.034 0.000 1.046 190 T HN -0.233 nan 8.240 nan 0.000 0.496 191 V N 6.207 125.944 119.914 -0.295 0.000 2.425 191 V HA 0.123 4.243 4.120 0.000 0.000 0.276 191 V C -1.747 174.024 176.094 -0.538 0.000 1.017 191 V CA -1.395 60.524 62.300 -0.635 0.000 1.062 191 V CB -0.232 31.182 31.823 -0.681 0.000 0.997 191 V HN 0.615 nan 8.190 nan 0.000 0.476 192 P HA -0.011 nan 4.420 nan 0.000 0.269 192 P C 0.717 177.809 177.300 -0.346 0.000 1.211 192 P CA -0.025 62.772 63.100 -0.506 0.000 0.781 192 P CB 0.524 31.832 31.700 -0.652 0.000 0.877 193 Q N 1.306 120.980 119.800 -0.211 0.000 2.124 193 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 193 Q C 1.625 177.547 176.000 -0.132 0.000 0.977 193 Q CA 2.184 57.909 55.803 -0.131 0.000 0.850 193 Q CB -0.986 27.701 28.738 -0.085 0.000 0.901 193 Q HN 0.366 nan 8.270 nan 0.000 0.429 194 S N 0.688 116.296 115.700 -0.153 0.000 2.442 194 S HA -0.095 4.375 4.470 0.000 0.000 0.236 194 S C 0.939 175.462 174.600 -0.128 0.000 1.007 194 S CA 1.293 59.422 58.200 -0.117 0.000 0.965 194 S CB -0.119 63.021 63.200 -0.099 0.000 0.773 194 S HN 0.491 nan 8.310 nan 0.000 0.504 195 E N 0.282 120.341 120.200 -0.234 0.000 2.498 195 E HA 0.141 4.491 4.350 0.000 0.000 0.203 195 E C 1.313 177.814 176.600 -0.166 0.000 1.013 195 E CA -0.078 56.189 56.400 -0.222 0.000 0.927 195 E CB -0.136 29.265 29.700 -0.499 0.000 1.012 195 E HN 0.379 nan 8.360 nan 0.000 0.482 196 Q N 1.411 121.129 119.800 -0.138 0.000 2.248 196 Q HA -0.170 4.170 4.340 0.000 0.000 0.208 196 Q C 1.929 177.911 176.000 -0.029 0.000 0.984 196 Q CA 1.142 56.909 55.803 -0.061 0.000 0.875 196 Q CB -0.218 28.489 28.738 -0.053 0.000 0.910 196 Q HN 0.282 nan 8.270 nan 0.000 0.433 197 K N 0.095 120.482 120.400 -0.021 0.000 2.486 197 K HA -0.083 4.237 4.320 0.000 0.000 0.194 197 K C 0.018 176.627 176.600 0.015 0.000 1.033 197 K CA 0.943 57.234 56.287 0.008 0.000 1.004 197 K CB 0.425 32.934 32.500 0.015 0.000 0.798 197 K HN -0.027 nan 8.250 nan 0.000 0.495 198 D N -0.451 119.954 120.400 0.008 0.000 2.469 198 D HA 0.002 4.642 4.640 0.000 0.000 0.213 198 D C -0.776 175.536 176.300 0.021 0.000 1.135 198 D CA -0.200 53.810 54.000 0.017 0.000 0.834 198 D CB 0.076 40.893 40.800 0.029 0.000 1.009 198 D HN 0.081 nan 8.370 nan 0.000 0.507 199 Y N 2.696 122.881 120.300 -0.193 0.000 2.535 199 Y HA 0.526 5.076 4.550 0.000 0.000 0.349 199 Y C 0.262 175.972 175.900 -0.317 0.000 0.992 199 Y CA -1.806 56.112 58.100 -0.302 0.000 1.248 199 Y CB -0.491 37.724 38.460 -0.407 0.000 1.124 199 Y HN -0.124 nan 8.280 nan 0.000 0.520 200 A N 5.523 128.322 122.820 -0.035 0.000 2.521 200 A HA 0.073 4.393 4.320 0.000 0.000 0.237 200 A C -0.688 176.872 177.584 -0.041 0.000 1.087 200 A CA -0.046 51.960 52.037 -0.052 0.000 0.777 200 A CB 0.190 19.108 19.000 -0.137 0.000 1.035 200 A HN 0.896 nan 8.150 nan 0.000 0.510 201 W N -0.311 121.028 121.300 0.064 0.000 2.478 201 W HA 0.516 5.176 4.660 0.000 0.000 0.318 201 W C 0.626 176.824 176.519 -0.535 0.000 1.062 201 W CA -0.258 56.952 57.345 -0.226 0.000 1.210 201 W CB 1.835 31.049 29.460 -0.410 0.000 1.325 201 W HN 0.957 nan 8.180 nan 0.000 0.496 202 G N 2.289 110.880 108.800 -0.349 0.000 2.400 202 G HA2 0.480 4.440 3.960 0.000 0.000 0.301 202 G HA3 0.480 4.440 3.960 0.000 0.000 0.301 202 G C -1.868 172.624 174.900 -0.679 0.000 1.154 202 G CA -0.423 44.053 45.100 -1.040 0.000 0.852 202 G HN 0.448 nan 8.290 nan 0.000 0.511 203 Y N 0.326 120.504 120.300 -0.204 0.000 2.360 203 Y HA 0.623 5.173 4.550 -0.000 0.000 0.337 203 Y C 0.584 176.453 175.900 -0.053 0.000 1.039 203 Y CA -0.794 57.257 58.100 -0.081 0.000 1.109 203 Y CB 2.343 40.772 38.460 -0.052 0.000 1.201 203 Y HN 0.563 nan 8.280 nan 0.000 0.458 204 R N 2.852 123.411 120.500 0.098 0.000 2.569 204 R HA 0.256 4.596 4.340 0.000 0.000 0.293 204 R C -1.124 175.212 176.300 0.059 0.000 1.186 204 R CA -0.675 55.462 56.100 0.062 0.000 0.956 204 R CB 0.169 30.489 30.300 0.034 0.000 1.196 204 R HN 0.685 nan 8.270 nan 0.000 0.444 205 E N 2.941 123.175 120.200 0.056 0.000 2.389 205 E HA -0.238 4.112 4.350 0.000 0.000 0.243 205 E C 0.510 177.133 176.600 0.039 0.000 1.154 205 E CA 1.284 57.706 56.400 0.037 0.000 0.723 205 E CB -1.904 27.808 29.700 0.021 0.000 1.261 205 E HN 1.355 nan 8.360 nan 0.000 0.390 206 G N -0.152 108.690 108.800 0.070 0.000 2.162 206 G HA2 -0.385 3.575 3.960 0.000 0.000 0.260 206 G HA3 -0.385 3.575 3.960 0.000 0.000 0.260 206 G C 0.170 175.150 174.900 0.134 0.000 0.976 206 G CA 0.822 45.964 45.100 0.069 0.000 0.655 206 G HN 0.389 nan 8.290 nan 0.000 0.533 207 K N 1.132 121.607 120.400 0.126 0.000 2.138 207 K HA 0.534 4.854 4.320 0.000 0.000 0.263 207 K C -2.546 174.032 176.600 -0.036 0.000 0.965 207 K CA -2.237 54.071 56.287 0.035 0.000 0.868 207 K CB 2.148 34.634 32.500 -0.024 0.000 1.083 207 K HN 0.025 nan 8.250 nan 0.000 0.443 208 P HA 0.152 nan 4.420 nan 0.000 0.287 208 P C -1.196 175.898 177.300 -0.343 0.000 1.281 208 P CA -0.430 62.283 63.100 -0.644 0.000 0.781 208 P CB 1.374 32.518 31.700 -0.927 0.000 0.903 209 V N 4.825 124.666 119.914 -0.120 0.000 2.733 209 V HA 0.370 4.490 4.120 0.000 0.000 0.306 209 V C -1.019 175.241 176.094 0.277 0.000 1.084 209 V CA -0.559 61.786 62.300 0.074 0.000 0.905 209 V CB 1.795 33.628 31.823 0.016 0.000 1.010 209 V HN 0.602 nan 8.190 nan 0.000 0.424 210 H N 3.265 122.473 119.070 0.231 0.000 2.492 210 H HA 0.526 5.082 4.556 0.000 0.000 0.345 210 H C -0.348 175.084 175.328 0.173 0.000 1.136 210 H CA -0.978 55.165 56.048 0.158 0.000 1.202 210 H CB 2.232 31.951 29.762 -0.071 0.000 1.524 210 H HN 0.579 nan 8.280 nan 0.000 0.506 211 V N 3.548 123.655 119.914 0.322 0.000 2.584 211 V HA -0.048 4.072 4.120 0.000 0.000 0.303 211 V C -0.062 176.160 176.094 0.213 0.000 1.035 211 V CA 0.327 62.775 62.300 0.247 0.000 1.172 211 V CB 0.128 32.105 31.823 0.257 0.000 0.896 211 V HN 0.752 nan 8.190 nan 0.000 0.486 212 S N 7.989 123.797 115.700 0.180 0.000 2.603 212 S HA 0.452 4.922 4.470 0.000 0.000 0.268 212 S C -2.198 172.499 174.600 0.162 0.000 1.317 212 S CA -0.668 57.621 58.200 0.148 0.000 1.012 212 S CB 0.840 64.105 63.200 0.108 0.000 0.926 212 S HN 0.887 nan 8.310 nan 0.000 0.539 213 P HA 0.379 nan 4.420 nan 0.000 0.269 213 P C -0.257 177.106 177.300 0.105 0.000 1.211 213 P CA -0.035 63.115 63.100 0.084 0.000 0.781 213 P CB 0.198 31.930 31.700 0.053 0.000 0.877 214 G N 0.165 109.013 108.800 0.080 0.000 2.658 214 G HA2 0.214 4.174 3.960 0.000 0.000 0.301 214 G HA3 0.214 4.174 3.960 0.000 0.000 0.301 214 G C -1.489 173.426 174.900 0.025 0.000 1.481 214 G CA -0.640 44.519 45.100 0.098 0.000 0.931 214 G HN 0.306 nan 8.290 nan 0.000 0.573 215 Q N 1.514 121.321 119.800 0.012 0.000 2.263 215 Q HA 0.163 4.503 4.340 0.000 0.000 0.289 215 Q C 1.376 177.356 176.000 -0.034 0.000 1.061 215 Q CA 0.380 56.174 55.803 -0.014 0.000 0.927 215 Q CB 0.589 29.328 28.738 0.002 0.000 1.154 215 Q HN 0.902 nan 8.270 nan 0.000 0.378 216 L N 1.320 122.482 121.223 -0.101 0.000 4.351 216 L HA -0.323 4.017 4.340 0.000 0.000 0.410 216 L C 1.010 177.679 176.870 -0.334 0.000 1.150 216 L CA 0.640 55.371 54.840 -0.182 0.000 0.961 216 L CB -1.585 40.431 42.059 -0.072 0.000 2.130 216 L HN 0.628 nan 8.230 nan 0.000 0.787 217 D N 0.813 120.980 120.400 -0.388 0.000 2.087 217 D HA -0.178 4.462 4.640 0.000 0.000 0.192 217 D C 1.960 177.798 176.300 -0.769 0.000 0.993 217 D CA 1.665 55.156 54.000 -0.849 0.000 0.828 217 D CB -0.204 40.321 40.800 -0.458 0.000 0.968 217 D HN 0.433 nan 8.370 nan 0.000 0.448 218 A N 0.947 123.518 122.820 -0.416 0.000 1.892 218 A HA -0.253 4.067 4.320 0.000 0.000 0.218 218 A C 2.130 179.552 177.584 -0.270 0.000 1.188 218 A CA 2.263 54.142 52.037 -0.262 0.000 0.631 218 A CB -0.807 18.128 19.000 -0.109 0.000 0.822 218 A HN 0.274 nan 8.150 nan 0.000 0.447 219 E N -0.331 119.550 120.200 -0.532 0.000 2.204 219 E HA 0.123 4.473 4.350 0.000 0.000 0.194 219 E C 1.814 178.293 176.600 -0.201 0.000 0.989 219 E CA 1.255 57.297 56.400 -0.597 0.000 0.824 219 E CB -0.235 28.924 29.700 -0.901 0.000 0.756 219 E HN 0.621 nan 8.360 nan 0.000 0.477 220 A N -0.429 122.268 122.820 -0.205 0.000 2.026 220 A HA 0.153 4.473 4.320 0.000 0.000 0.201 220 A C 1.111 178.746 177.584 0.085 0.000 1.318 220 A CA 0.439 52.464 52.037 -0.022 0.000 0.857 220 A CB 0.031 19.063 19.000 0.054 0.000 0.939 220 A HN 0.398 nan 8.150 nan 0.000 0.476 221 Y N -3.749 116.579 120.300 0.046 0.000 2.888 221 Y HA 0.515 5.064 4.550 -0.000 0.000 0.260 221 Y C 0.902 176.817 175.900 0.024 0.000 1.113 221 Y CA -0.022 58.114 58.100 0.060 0.000 1.237 221 Y CB -0.142 38.369 38.460 0.084 0.000 1.307 221 Y HN 0.040 nan 8.280 nan 0.000 0.580 222 G N 1.100 109.809 108.800 -0.151 0.000 3.434 222 G HA2 0.377 4.337 3.960 0.000 0.000 0.258 222 G HA3 0.377 4.337 3.960 0.000 0.000 0.258 222 G C -0.489 174.344 174.900 -0.111 0.000 1.128 222 G CA -0.015 45.027 45.100 -0.096 0.000 0.792 222 G HN 0.128 nan 8.290 nan 0.000 0.539 223 V N 0.606 120.436 119.914 -0.140 0.000 2.439 223 V HA 0.407 4.527 4.120 0.000 0.000 0.282 223 V C -0.356 175.601 176.094 -0.228 0.000 1.039 223 V CA -0.640 61.505 62.300 -0.259 0.000 0.913 223 V CB 1.629 33.148 31.823 -0.508 0.000 0.983 223 V HN 0.103 nan 8.190 nan 0.000 0.460 224 K N 2.700 122.949 120.400 -0.252 0.000 2.182 224 K HA 0.789 5.109 4.320 0.000 0.000 0.262 224 K C -0.397 176.106 176.600 -0.162 0.000 0.957 224 K CA -0.086 56.051 56.287 -0.250 0.000 0.842 224 K CB 1.808 34.052 32.500 -0.426 0.000 1.099 224 K HN 0.725 nan 8.250 nan 0.000 0.438 225 S N 0.504 116.162 115.700 -0.070 0.000 2.615 225 S HA 0.649 5.119 4.470 0.000 0.000 0.269 225 S C -1.486 173.197 174.600 0.138 0.000 1.161 225 S CA -0.788 57.416 58.200 0.007 0.000 0.817 225 S CB 0.748 63.920 63.200 -0.047 0.000 1.131 225 S HN 0.569 nan 8.310 nan 0.000 0.467 226 S N 0.983 116.770 115.700 0.144 0.000 2.593 226 S HA 0.579 5.049 4.470 0.000 0.000 0.297 226 S C 1.039 175.736 174.600 0.161 0.000 1.112 226 S CA -0.621 57.690 58.200 0.184 0.000 1.043 226 S CB 1.190 64.440 63.200 0.085 0.000 1.054 226 S HN 0.608 nan 8.310 nan 0.000 0.516 227 V N 1.778 121.793 119.914 0.168 0.000 2.380 227 V HA -0.182 3.938 4.120 0.000 0.000 0.251 227 V C 2.191 178.340 176.094 0.092 0.000 1.063 227 V CA 1.762 64.147 62.300 0.141 0.000 1.055 227 V CB -0.842 31.067 31.823 0.144 0.000 0.657 227 V HN 0.824 nan 8.190 nan 0.000 0.455 228 I N 0.088 120.616 120.570 -0.071 0.000 2.099 228 I HA -0.248 3.922 4.170 0.000 0.000 0.239 228 I C 2.336 178.489 176.117 0.059 0.000 1.066 228 I CA 2.071 63.290 61.300 -0.136 0.000 1.324 228 I CB -1.359 36.487 38.000 -0.258 0.000 1.037 228 I HN 0.339 nan 8.210 nan 0.000 0.401 229 D N 0.475 120.917 120.400 0.070 0.000 2.123 229 D HA -0.181 4.459 4.640 0.000 0.000 0.196 229 D C 2.317 178.735 176.300 0.197 0.000 0.992 229 D CA 1.077 55.147 54.000 0.116 0.000 0.833 229 D CB -0.181 40.666 40.800 0.078 0.000 0.954 229 D HN 0.145 nan 8.370 nan 0.000 0.455 230 M N 0.395 120.126 119.600 0.218 0.000 2.106 230 M HA -0.126 4.354 4.480 0.000 0.000 0.259 230 M C 2.150 178.628 176.300 0.297 0.000 1.068 230 M CA 1.298 56.782 55.300 0.306 0.000 1.100 230 M CB -1.418 31.351 32.600 0.281 0.000 1.351 230 M HN 0.011 nan 8.290 nan 0.000 0.404 231 T N 0.333 115.029 114.554 0.237 0.000 2.746 231 T HA -0.138 4.212 4.350 0.000 0.000 0.267 231 T C 1.935 176.706 174.700 0.118 0.000 1.039 231 T CA 1.282 63.492 62.100 0.184 0.000 1.142 231 T CB -0.226 68.815 68.868 0.287 0.000 0.866 231 T HN 0.429 nan 8.240 nan 0.000 0.444 232 R N -0.075 120.515 120.500 0.149 0.000 2.092 232 R HA -0.020 4.320 4.340 0.000 0.000 0.231 232 R C 2.408 178.780 176.300 0.119 0.000 1.119 232 R CA 1.190 57.352 56.100 0.103 0.000 0.970 232 R CB -0.369 29.995 30.300 0.106 0.000 0.864 232 R HN 0.542 nan 8.270 nan 0.000 0.440 233 W N 1.697 122.997 121.300 -0.001 0.000 2.355 233 W HA -0.184 4.477 4.660 0.001 0.000 0.309 233 W C 1.518 177.974 176.519 -0.105 0.000 1.206 233 W CA 1.361 58.692 57.345 -0.023 0.000 1.284 233 W CB -0.023 29.462 29.460 0.040 0.000 1.145 233 W HN -0.132 nan 8.180 nan 0.000 0.502 234 V N 1.606 121.444 119.914 -0.126 0.000 2.343 234 V HA -0.342 3.778 4.120 0.000 0.000 0.247 234 V C 2.507 178.216 176.094 -0.642 0.000 1.051 234 V CA 2.195 64.222 62.300 -0.455 0.000 1.036 234 V CB -1.212 30.489 31.823 -0.203 0.000 0.654 234 V HN 0.239 nan 8.190 nan 0.000 0.451 235 Q N 0.104 119.695 119.800 -0.349 0.000 2.061 235 Q HA -0.224 4.116 4.340 0.000 0.000 0.204 235 Q C 2.508 178.293 176.000 -0.358 0.000 0.984 235 Q CA 1.959 57.571 55.803 -0.318 0.000 0.846 235 Q CB -0.479 28.157 28.738 -0.171 0.000 0.902 235 Q HN 0.671 nan 8.270 nan 0.000 0.421 236 A N 1.506 124.141 122.820 -0.308 0.000 1.883 236 A HA -0.243 4.077 4.320 0.000 0.000 0.217 236 A C 1.753 179.074 177.584 -0.438 0.000 1.186 236 A CA 1.988 53.850 52.037 -0.292 0.000 0.624 236 A CB -0.740 18.144 19.000 -0.194 0.000 0.822 236 A HN 0.367 nan 8.150 nan 0.000 0.444 237 N N -0.943 117.347 118.700 -0.684 0.000 2.188 237 N HA -0.063 4.677 4.740 0.000 0.000 0.184 237 N C 1.642 176.703 175.510 -0.749 0.000 1.018 237 N CA 1.372 53.980 53.050 -0.736 0.000 0.858 237 N CB -0.264 37.708 38.487 -0.859 0.000 0.989 237 N HN 0.516 nan 8.380 nan 0.000 0.426 238 M N 0.246 119.226 119.600 -1.034 0.000 2.632 238 M HA -0.087 4.393 4.480 0.000 0.000 0.256 238 M C -0.815 175.257 176.300 -0.380 0.000 1.080 238 M CA 1.055 55.888 55.300 -0.778 0.000 1.084 238 M CB 0.188 32.266 32.600 -0.870 0.000 1.439 238 M HN 0.014 nan 8.290 nan 0.000 0.509 239 D N -0.881 119.320 120.400 -0.331 0.000 2.329 239 D HA 0.163 4.803 4.640 0.000 0.000 0.217 239 D C -0.030 176.159 176.300 -0.185 0.000 1.317 239 D CA 0.267 54.138 54.000 -0.216 0.000 0.928 239 D CB 0.164 40.852 40.800 -0.187 0.000 1.544 239 D HN 0.072 nan 8.370 nan 0.000 0.499 240 A N 1.959 124.685 122.820 -0.157 0.000 2.172 240 A HA 0.009 4.329 4.320 0.000 0.000 0.216 240 A C 2.038 179.572 177.584 -0.084 0.000 1.154 240 A CA 1.225 53.191 52.037 -0.119 0.000 0.701 240 A CB -0.120 18.820 19.000 -0.100 0.000 0.789 240 A HN 0.442 nan 8.150 nan 0.000 0.465 241 S N 0.134 115.786 115.700 -0.081 0.000 2.399 241 S HA -0.222 4.248 4.470 0.000 0.000 0.231 241 S C 2.147 176.711 174.600 -0.059 0.000 1.022 241 S CA 1.631 59.793 58.200 -0.064 0.000 0.983 241 S CB -0.310 62.852 63.200 -0.064 0.000 0.803 241 S HN 0.929 nan 8.310 nan 0.000 0.480 242 Q N 0.692 120.449 119.800 -0.072 0.000 2.224 242 Q HA 0.014 4.354 4.340 0.000 0.000 0.203 242 Q C 0.328 176.298 176.000 -0.051 0.000 0.970 242 Q CA 0.753 56.517 55.803 -0.065 0.000 0.865 242 Q CB -0.379 28.310 28.738 -0.081 0.000 0.922 242 Q HN 0.258 nan 8.270 nan 0.000 0.445 243 V N 3.679 123.563 119.914 -0.050 0.000 2.446 243 V HA -0.084 4.036 4.120 0.000 0.000 0.276 243 V C 1.355 177.435 176.094 -0.023 0.000 1.030 243 V CA 0.190 62.471 62.300 -0.032 0.000 1.033 243 V CB 0.770 32.573 31.823 -0.033 0.000 0.993 243 V HN 0.483 nan 8.190 nan 0.000 0.477 244 Q N 3.295 123.085 119.800 -0.016 0.000 2.123 244 Q HA -0.075 4.265 4.340 0.000 0.000 0.199 244 Q C 0.154 176.149 176.000 -0.008 0.000 0.966 244 Q CA 0.715 56.510 55.803 -0.013 0.000 0.845 244 Q CB 0.015 28.745 28.738 -0.012 0.000 0.907 244 Q HN 0.706 nan 8.270 nan 0.000 0.439 245 E N 1.781 121.979 120.200 -0.002 0.000 2.299 245 E HA -0.001 4.349 4.350 0.000 0.000 0.272 245 E C 0.312 176.913 176.600 0.002 0.000 1.043 245 E CA -0.043 56.358 56.400 0.002 0.000 0.895 245 E CB 1.187 30.892 29.700 0.009 0.000 1.011 245 E HN 0.081 nan 8.360 nan 0.000 0.432 246 K N 2.294 122.694 120.400 -0.000 0.000 2.009 246 K HA -0.194 4.126 4.320 0.000 0.000 0.210 246 K C 1.797 178.401 176.600 0.006 0.000 1.049 246 K CA 2.365 58.652 56.287 -0.000 0.000 0.929 246 K CB -0.653 31.847 32.500 -0.001 0.000 0.714 246 K HN 0.687 nan 8.250 nan 0.000 0.440 247 T N -0.501 114.059 114.554 0.010 0.000 2.708 247 T HA -0.164 4.186 4.350 0.000 0.000 0.266 247 T C 1.850 176.566 174.700 0.027 0.000 1.037 247 T CA 1.315 63.425 62.100 0.017 0.000 1.146 247 T CB -0.606 68.270 68.868 0.013 0.000 0.865 247 T HN 0.187 nan 8.240 nan 0.000 0.435 248 L N 1.477 122.717 121.223 0.028 0.000 2.083 248 L HA -0.031 4.309 4.340 0.000 0.000 0.209 248 L C 2.784 179.675 176.870 0.035 0.000 1.083 248 L CA 2.108 56.975 54.840 0.045 0.000 0.752 248 L CB -1.132 40.957 42.059 0.051 0.000 0.899 248 L HN 0.494 nan 8.230 nan 0.000 0.433 249 Q N -0.865 118.943 119.800 0.015 0.000 2.020 249 Q HA -0.283 4.057 4.340 0.000 0.000 0.202 249 Q C 2.217 178.219 176.000 0.003 0.000 0.982 249 Q CA 2.255 58.056 55.803 -0.003 0.000 0.838 249 Q CB -0.221 28.509 28.738 -0.014 0.000 0.899 249 Q HN 0.697 nan 8.270 nan 0.000 0.423 250 Q N -0.519 119.289 119.800 0.014 0.000 2.124 250 Q HA -0.111 4.229 4.340 0.000 0.000 0.202 250 Q C 2.051 178.079 176.000 0.047 0.000 0.977 250 Q CA 1.121 56.938 55.803 0.023 0.000 0.850 250 Q CB -0.264 28.489 28.738 0.025 0.000 0.901 250 Q HN 0.597 nan 8.270 nan 0.000 0.429 251 G N 1.150 109.985 108.800 0.058 0.000 2.446 251 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 251 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 251 G C 1.387 176.351 174.900 0.106 0.000 1.168 251 G CA 0.798 45.951 45.100 0.088 0.000 0.771 251 G HN 0.257 nan 8.290 nan 0.000 0.551 252 I N 0.184 120.797 120.570 0.071 0.000 2.315 252 I HA -0.102 4.068 4.170 0.000 0.000 0.248 252 I C 2.676 178.823 176.117 0.050 0.000 1.117 252 I CA 1.031 62.361 61.300 0.050 0.000 1.404 252 I CB -0.134 37.839 38.000 -0.044 0.000 1.071 252 I HN 0.208 nan 8.210 nan 0.000 0.419 253 E N 1.153 121.373 120.200 0.033 0.000 2.150 253 E HA -0.170 4.180 4.350 0.000 0.000 0.193 253 E C 2.330 178.969 176.600 0.064 0.000 0.985 253 E CA 0.964 57.377 56.400 0.023 0.000 0.814 253 E CB 0.151 29.854 29.700 0.005 0.000 0.752 253 E HN 0.491 nan 8.360 nan 0.000 0.466 254 L N 0.058 121.345 121.223 0.108 0.000 2.044 254 L HA -0.081 4.259 4.340 0.000 0.000 0.205 254 L C 2.539 179.572 176.870 0.272 0.000 1.075 254 L CA 1.030 55.975 54.840 0.176 0.000 0.747 254 L CB -0.458 41.701 42.059 0.167 0.000 0.903 254 L HN 0.101 nan 8.230 nan 0.000 0.435 255 A N -0.951 122.022 122.820 0.254 0.000 2.172 255 A HA -0.166 4.154 4.320 0.000 0.000 0.216 255 A C 1.897 179.712 177.584 0.385 0.000 1.154 255 A CA 1.071 53.302 52.037 0.323 0.000 0.701 255 A CB -0.236 18.961 19.000 0.327 0.000 0.789 255 A HN 0.517 nan 8.150 nan 0.000 0.465 256 Q N -0.367 119.586 119.800 0.254 0.000 2.219 256 Q HA 0.204 4.544 4.340 0.000 0.000 0.209 256 Q C -0.234 175.813 176.000 0.078 0.000 0.854 256 Q CA -0.281 55.615 55.803 0.154 0.000 0.960 256 Q CB 0.654 29.398 28.738 0.011 0.000 1.116 256 Q HN 0.473 nan 8.270 nan 0.000 0.500 257 S N 0.847 116.590 115.700 0.072 0.000 2.580 257 S HA 0.304 4.774 4.470 0.000 0.000 0.274 257 S C -0.039 174.403 174.600 -0.263 0.000 1.329 257 S CA -0.316 57.797 58.200 -0.145 0.000 1.036 257 S CB 0.705 63.727 63.200 -0.298 0.000 0.919 257 S HN 0.192 nan 8.310 nan 0.000 0.515 258 R N 1.344 121.629 120.500 -0.358 0.000 2.207 258 R HA 0.279 4.619 4.340 0.000 0.000 0.334 258 R C -0.311 175.759 176.300 -0.383 0.000 1.013 258 R CA -0.108 55.865 56.100 -0.212 0.000 0.858 258 R CB 0.406 30.593 30.300 -0.189 0.000 1.094 258 R HN 0.686 nan 8.270 nan 0.000 0.457 259 Y N 0.713 121.056 120.300 0.072 0.000 2.479 259 Y HA 0.163 4.713 4.550 0.001 0.000 0.283 259 Y C 0.066 175.781 175.900 -0.309 0.000 1.109 259 Y CA 0.292 58.326 58.100 -0.110 0.000 1.239 259 Y CB 0.516 38.949 38.460 -0.045 0.000 1.108 259 Y HN 0.464 nan 8.280 nan 0.000 0.548 260 W N -0.597 120.875 121.300 0.286 0.000 3.083 260 W HA 0.595 5.255 4.660 0.000 0.000 0.333 260 W C -0.725 175.931 176.519 0.228 0.000 1.217 260 W CA -1.290 56.190 57.345 0.225 0.000 1.170 260 W CB 1.125 30.704 29.460 0.197 0.000 1.437 260 W HN -0.527 nan 8.180 nan 0.000 0.557 261 R N 1.865 122.601 120.500 0.393 0.000 2.480 261 R HA 0.674 5.014 4.340 0.000 0.000 0.306 261 R C -1.499 174.836 176.300 0.059 0.000 0.958 261 R CA -0.633 55.525 56.100 0.097 0.000 0.861 261 R CB 0.762 31.072 30.300 0.017 0.000 1.171 261 R HN 0.594 nan 8.270 nan 0.000 0.445 262 I N 3.999 124.547 120.570 -0.037 0.000 2.782 262 I HA 0.272 4.442 4.170 0.000 0.000 0.279 262 I C 0.234 176.300 176.117 -0.085 0.000 1.247 262 I CA -0.284 61.000 61.300 -0.027 0.000 1.062 262 I CB 1.777 39.781 38.000 0.006 0.000 1.421 262 I HN 0.855 nan 8.210 nan 0.000 0.558 263 G N 4.113 112.851 108.800 -0.104 0.000 2.329 263 G HA2 -0.191 3.769 3.960 0.000 0.000 0.204 263 G HA3 -0.191 3.769 3.960 0.000 0.000 0.204 263 G C 0.613 175.427 174.900 -0.142 0.000 0.435 263 G CA 1.054 46.089 45.100 -0.109 0.000 0.977 263 G HN 1.267 nan 8.290 nan 0.000 0.366 264 D N -0.481 119.795 120.400 -0.205 0.000 2.705 264 D HA -0.258 4.382 4.640 0.000 0.000 0.187 264 D C 0.578 176.745 176.300 -0.221 0.000 1.015 264 D CA 2.017 55.909 54.000 -0.179 0.000 1.030 264 D CB -0.986 39.763 40.800 -0.085 0.000 1.100 264 D HN 1.022 nan 8.370 nan 0.000 0.439 265 M N 0.476 119.913 119.600 -0.272 0.000 2.456 265 M HA 0.574 5.054 4.480 0.000 0.000 0.324 265 M C -1.536 174.598 176.300 -0.278 0.000 1.124 265 M CA -0.723 54.510 55.300 -0.112 0.000 0.959 265 M CB 1.606 34.231 32.600 0.040 0.000 1.692 265 M HN 0.095 nan 8.290 nan 0.000 0.444 266 Y N 1.337 121.752 120.300 0.191 0.000 2.499 266 Y HA 0.487 5.037 4.550 -0.000 0.000 0.347 266 Y C -0.459 175.606 175.900 0.275 0.000 0.987 266 Y CA -0.753 57.474 58.100 0.212 0.000 1.044 266 Y CB 1.746 40.303 38.460 0.161 0.000 1.245 266 Y HN 0.575 nan 8.280 nan 0.000 0.461 267 Q N 1.288 121.381 119.800 0.488 0.000 2.307 267 Q HA 0.641 4.981 4.340 0.000 0.000 0.262 267 Q C -0.105 176.215 176.000 0.532 0.000 0.961 267 Q CA -0.280 55.812 55.803 0.482 0.000 0.882 267 Q CB 1.549 30.581 28.738 0.491 0.000 1.264 267 Q HN 0.912 nan 8.270 nan 0.000 0.446 268 G N 2.573 111.661 108.800 0.479 0.000 3.019 268 G HA2 0.501 4.461 3.960 0.000 0.000 0.152 268 G HA3 0.501 4.461 3.960 0.000 0.000 0.152 268 G C -1.003 174.078 174.900 0.301 0.000 1.320 268 G CA -0.729 44.689 45.100 0.529 0.000 1.013 268 G HN 0.545 nan 8.290 nan 0.000 0.593 269 L N 0.958 122.323 121.223 0.237 0.000 2.283 269 L HA 0.481 4.821 4.340 0.000 0.000 0.281 269 L C 1.313 178.225 176.870 0.069 0.000 1.033 269 L CA 0.383 55.236 54.840 0.022 0.000 0.848 269 L CB 0.938 42.983 42.059 -0.024 0.000 1.226 269 L HN 1.015 nan 8.230 nan 0.000 0.429 270 G N 2.005 110.817 108.800 0.018 0.000 3.078 270 G HA2 -0.317 3.643 3.960 0.000 0.000 0.227 270 G HA3 -0.317 3.643 3.960 0.000 0.000 0.227 270 G C 0.035 174.962 174.900 0.046 0.000 1.306 270 G CA -0.099 45.001 45.100 -0.001 0.000 0.841 270 G HN 0.520 nan 8.290 nan 0.000 0.530 271 W N 1.913 123.337 121.300 0.207 0.000 2.218 271 W HA 0.613 5.273 4.660 0.001 0.000 0.326 271 W C 0.587 177.244 176.519 0.231 0.000 1.276 271 W CA -0.454 57.004 57.345 0.187 0.000 1.210 271 W CB 0.622 30.161 29.460 0.132 0.000 1.143 271 W HN 0.204 nan 8.180 nan 0.000 0.563 272 E N 3.725 124.268 120.200 0.572 0.000 2.199 272 E HA 0.323 4.673 4.350 0.000 0.000 0.265 272 E C -0.139 176.769 176.600 0.514 0.000 0.882 272 E CA -0.846 55.847 56.400 0.489 0.000 0.759 272 E CB 1.195 31.146 29.700 0.419 0.000 1.148 272 E HN 0.204 nan 8.360 nan 0.000 0.412 273 M N 1.698 121.551 119.600 0.420 0.000 2.690 273 M HA 0.615 5.095 4.480 0.000 0.000 0.302 273 M C -1.360 175.186 176.300 0.409 0.000 1.234 273 M CA -1.114 54.393 55.300 0.345 0.000 0.853 273 M CB 0.672 33.377 32.600 0.176 0.000 1.748 273 M HN 0.345 nan 8.290 nan 0.000 0.469 274 L N 1.471 122.905 121.223 0.351 0.000 2.370 274 L HA 0.511 4.851 4.340 0.000 0.000 0.266 274 L C -0.114 176.951 176.870 0.325 0.000 1.002 274 L CA -0.597 54.446 54.840 0.338 0.000 0.818 274 L CB 1.994 44.167 42.059 0.190 0.000 1.325 274 L HN 0.638 nan 8.230 nan 0.000 0.418 275 N N 1.164 120.054 118.700 0.317 0.000 2.492 275 N HA 0.050 4.790 4.740 0.000 0.000 0.260 275 N C -1.195 174.495 175.510 0.301 0.000 1.215 275 N CA -0.079 53.121 53.050 0.248 0.000 0.923 275 N CB 0.974 39.586 38.487 0.207 0.000 1.092 275 N HN 0.530 nan 8.380 nan 0.000 0.448 276 W N 3.646 125.013 121.300 0.112 0.000 2.632 276 W HA 0.444 5.104 4.660 0.000 0.000 0.328 276 W C -2.561 174.015 176.519 0.094 0.000 1.044 276 W CA -1.712 55.715 57.345 0.136 0.000 1.225 276 W CB 0.875 30.431 29.460 0.161 0.000 1.396 276 W HN 0.382 nan 8.180 nan 0.000 0.499 277 P HA 0.225 nan 4.420 nan 0.000 0.275 277 P C -0.938 176.172 177.300 -0.316 0.000 1.227 277 P CA -0.273 62.238 63.100 -0.982 0.000 0.781 277 P CB 1.914 33.055 31.700 -0.933 0.000 0.906 278 V N 2.646 122.458 119.914 -0.170 0.000 2.667 278 V HA 0.300 4.420 4.120 0.000 0.000 0.308 278 V C -0.135 175.874 176.094 -0.141 0.000 1.048 278 V CA -1.033 61.227 62.300 -0.066 0.000 0.928 278 V CB 1.585 33.396 31.823 -0.019 0.000 1.004 278 V HN 0.410 nan 8.190 nan 0.000 0.444 279 K N 4.687 124.944 120.400 -0.238 0.000 2.310 279 K HA 0.392 4.712 4.320 0.000 0.000 0.290 279 K C 1.221 177.477 176.600 -0.574 0.000 1.077 279 K CA 0.458 56.560 56.287 -0.308 0.000 0.922 279 K CB 1.230 33.601 32.500 -0.215 0.000 1.057 279 K HN 0.864 nan 8.250 nan 0.000 0.479 280 A N 3.458 125.744 122.820 -0.889 0.000 1.915 280 A HA -0.317 4.003 4.320 0.000 0.000 0.220 280 A C 1.885 179.019 177.584 -0.750 0.000 1.198 280 A CA 2.508 53.699 52.037 -1.410 0.000 0.647 280 A CB -0.517 17.570 19.000 -1.522 0.000 0.825 280 A HN 0.934 nan 8.150 nan 0.000 0.456 281 D N -0.869 119.251 120.400 -0.468 0.000 2.123 281 D HA -0.158 4.482 4.640 0.000 0.000 0.196 281 D C 2.121 178.262 176.300 -0.265 0.000 0.992 281 D CA 1.931 55.749 54.000 -0.302 0.000 0.833 281 D CB -0.285 40.390 40.800 -0.208 0.000 0.954 281 D HN 0.357 nan 8.370 nan 0.000 0.455 282 S N -0.757 114.780 115.700 -0.270 0.000 2.353 282 S HA -0.193 4.277 4.470 0.000 0.000 0.222 282 S C 2.206 176.688 174.600 -0.196 0.000 1.035 282 S CA 1.840 59.918 58.200 -0.204 0.000 1.025 282 S CB -0.682 62.412 63.200 -0.177 0.000 0.902 282 S HN 0.524 nan 8.310 nan 0.000 0.440 283 I N -1.319 119.081 120.570 -0.283 0.000 2.617 283 I HA 0.105 4.275 4.170 0.000 0.000 0.256 283 I C 1.941 177.962 176.117 -0.160 0.000 1.167 283 I CA 1.075 62.253 61.300 -0.203 0.000 1.469 283 I CB -0.362 37.433 38.000 -0.342 0.000 1.098 283 I HN 0.259 nan 8.210 nan 0.000 0.436 284 I N 1.927 122.350 120.570 -0.245 0.000 2.439 284 I HA -0.180 3.990 4.170 0.000 0.000 0.251 284 I C 2.569 178.608 176.117 -0.130 0.000 1.139 284 I CA 1.542 62.733 61.300 -0.181 0.000 1.438 284 I CB -0.254 37.617 38.000 -0.214 0.000 1.085 284 I HN 0.447 nan 8.210 nan 0.000 0.427 285 S N 0.038 115.659 115.700 -0.132 0.000 2.486 285 S HA 0.078 4.548 4.470 0.000 0.000 0.220 285 S C 1.935 176.487 174.600 -0.081 0.000 1.011 285 S CA 0.450 58.590 58.200 -0.100 0.000 0.921 285 S CB -0.171 62.968 63.200 -0.101 0.000 0.785 285 S HN 0.400 nan 8.310 nan 0.000 0.517 286 G N 1.788 110.543 108.800 -0.074 0.000 2.813 286 G HA2 0.028 3.988 3.960 0.000 0.000 0.209 286 G HA3 0.028 3.988 3.960 0.000 0.000 0.209 286 G C 1.418 176.293 174.900 -0.040 0.000 1.150 286 G CA 0.620 45.691 45.100 -0.048 0.000 0.785 286 G HN 0.707 nan 8.290 nan 0.000 0.535 287 S N -0.469 115.202 115.700 -0.049 0.000 2.558 287 S HA 0.071 4.541 4.470 0.000 0.000 0.217 287 S C 0.463 175.007 174.600 -0.094 0.000 0.975 287 S CA -0.062 58.098 58.200 -0.067 0.000 0.912 287 S CB 0.122 63.279 63.200 -0.072 0.000 0.776 287 S HN 0.255 nan 8.310 nan 0.000 0.526 288 D N 1.746 122.097 120.400 -0.082 0.000 2.390 288 D HA 0.322 4.962 4.640 0.000 0.000 0.249 288 D C 1.084 177.340 176.300 -0.074 0.000 1.144 288 D CA 0.227 54.182 54.000 -0.075 0.000 0.880 288 D CB 1.184 41.946 40.800 -0.063 0.000 1.182 288 D HN 0.124 nan 8.370 nan 0.000 0.451 289 S N 3.773 119.432 115.700 -0.070 0.000 2.399 289 S HA -0.386 4.084 4.470 0.000 0.000 0.235 289 S C 1.726 176.297 174.600 -0.049 0.000 1.063 289 S CA 1.875 60.038 58.200 -0.061 0.000 1.070 289 S CB -0.522 62.653 63.200 -0.042 0.000 0.904 289 S HN 0.788 nan 8.310 nan 0.000 0.456 290 K N 0.946 121.321 120.400 -0.041 0.000 2.362 290 K HA 0.016 4.336 4.320 0.000 0.000 0.200 290 K C 1.458 178.036 176.600 -0.037 0.000 1.046 290 K CA 1.292 57.560 56.287 -0.033 0.000 0.952 290 K CB -0.062 32.419 32.500 -0.030 0.000 0.753 290 K HN 0.353 nan 8.250 nan 0.000 0.466 291 V N 0.317 120.202 119.914 -0.048 0.000 2.854 291 V HA 0.132 4.252 4.120 0.000 0.000 0.236 291 V C 2.349 178.408 176.094 -0.058 0.000 1.157 291 V CA 0.841 63.111 62.300 -0.050 0.000 1.187 291 V CB 0.100 31.891 31.823 -0.053 0.000 0.949 291 V HN 0.398 nan 8.190 nan 0.000 0.488 292 A N 0.444 123.216 122.820 -0.080 0.000 1.892 292 A HA -0.144 4.176 4.320 0.000 0.000 0.218 292 A C 1.962 179.462 177.584 -0.139 0.000 1.188 292 A CA 1.924 53.883 52.037 -0.129 0.000 0.631 292 A CB -0.546 18.354 19.000 -0.167 0.000 0.822 292 A HN 0.501 nan 8.150 nan 0.000 0.447 293 L N -1.107 120.061 121.223 -0.093 0.000 2.607 293 L HA 0.294 4.634 4.340 0.000 0.000 0.228 293 L C 1.015 177.892 176.870 0.011 0.000 1.123 293 L CA -0.052 54.768 54.840 -0.034 0.000 0.890 293 L CB -0.447 41.597 42.059 -0.025 0.000 1.103 293 L HN 0.376 nan 8.230 nan 0.000 0.468 294 A N 0.679 123.495 122.820 -0.006 0.000 2.293 294 A HA 0.708 5.028 4.320 0.000 0.000 0.302 294 A C 0.307 177.890 177.584 -0.001 0.000 1.119 294 A CA -0.294 51.747 52.037 0.007 0.000 0.823 294 A CB 0.674 19.666 19.000 -0.014 0.000 1.097 294 A HN 0.179 nan 8.150 nan 0.000 0.491 295 A N 1.969 124.796 122.820 0.012 0.000 2.395 295 A HA 0.559 4.879 4.320 0.000 0.000 0.286 295 A C -0.254 177.219 177.584 -0.186 0.000 1.193 295 A CA 0.076 52.066 52.037 -0.078 0.000 0.852 295 A CB -0.616 18.361 19.000 -0.038 0.000 1.118 295 A HN 0.756 nan 8.150 nan 0.000 0.524 296 L N 4.374 125.475 121.223 -0.202 0.000 2.341 296 L HA 0.506 4.846 4.340 0.000 0.000 0.267 296 L C -2.145 174.585 176.870 -0.234 0.000 1.009 296 L CA -2.475 52.252 54.840 -0.188 0.000 0.819 296 L CB 2.838 44.831 42.059 -0.110 0.000 1.323 296 L HN 0.457 nan 8.230 nan 0.000 0.425 297 P HA 0.125 nan 4.420 nan 0.000 0.271 297 P C -1.252 175.989 177.300 -0.098 0.000 1.233 297 P CA -0.085 62.916 63.100 -0.165 0.000 0.764 297 P CB 1.072 32.701 31.700 -0.119 0.000 0.825 298 A N 4.108 126.872 122.820 -0.094 0.000 2.342 298 A HA 0.511 4.831 4.320 0.000 0.000 0.323 298 A C -0.412 177.305 177.584 0.221 0.000 1.125 298 A CA -0.725 51.323 52.037 0.018 0.000 0.785 298 A CB 1.256 20.160 19.000 -0.161 0.000 1.221 298 A HN 0.331 nan 8.150 nan 0.000 0.463 299 V N 2.875 122.975 119.914 0.310 0.000 2.334 299 V HA 0.171 4.291 4.120 0.000 0.000 0.267 299 V C 0.553 176.918 176.094 0.453 0.000 1.040 299 V CA -0.387 62.106 62.300 0.321 0.000 0.866 299 V CB 0.566 32.492 31.823 0.172 0.000 1.019 299 V HN 0.998 nan 8.190 nan 0.000 0.468 300 E N 3.484 123.952 120.200 0.447 0.000 2.493 300 E HA 0.076 4.426 4.350 0.000 0.000 0.255 300 E C -0.527 175.973 176.600 -0.167 0.000 0.999 300 E CA -0.121 56.145 56.400 -0.223 0.000 0.934 300 E CB 0.792 30.285 29.700 -0.345 0.000 0.940 300 E HN 0.551 nan 8.360 nan 0.000 0.473 301 V N 5.980 125.755 119.914 -0.233 0.000 2.247 301 V HA 0.162 4.282 4.120 0.000 0.000 0.262 301 V C -0.260 175.714 176.094 -0.199 0.000 1.096 301 V CA -0.527 61.701 62.300 -0.120 0.000 0.895 301 V CB -0.110 31.678 31.823 -0.059 0.000 1.141 301 V HN 0.567 nan 8.190 nan 0.000 0.478 302 N N 4.935 123.535 118.700 -0.167 0.000 2.410 302 N HA 0.604 5.344 4.740 0.000 0.000 0.287 302 N C -2.346 173.115 175.510 -0.081 0.000 1.044 302 N CA -1.212 51.752 53.050 -0.143 0.000 0.881 302 N CB 2.167 40.545 38.487 -0.182 0.000 1.405 302 N HN 0.297 nan 8.380 nan 0.000 0.490 303 P HA 0.241 nan 4.420 nan 0.000 0.266 303 P C -2.633 174.592 177.300 -0.126 0.000 1.195 303 P CA -0.638 62.417 63.100 -0.076 0.000 0.768 303 P CB -0.328 31.341 31.700 -0.053 0.000 0.838 304 P HA 0.109 nan 4.420 nan 0.000 0.269 304 P C -0.528 176.612 177.300 -0.266 0.000 1.217 304 P CA 0.004 62.898 63.100 -0.344 0.000 0.783 304 P CB 0.302 31.608 31.700 -0.656 0.000 0.898 305 A N 2.756 125.405 122.820 -0.285 0.000 2.303 305 A HA 0.629 4.949 4.320 0.000 0.000 0.317 305 A C -2.308 175.146 177.584 -0.217 0.000 1.149 305 A CA -1.684 50.228 52.037 -0.208 0.000 0.822 305 A CB -0.126 18.754 19.000 -0.201 0.000 1.131 305 A HN 0.397 nan 8.150 nan 0.000 0.493 306 P HA 0.364 nan 4.420 nan 0.000 0.284 306 P C -0.188 177.044 177.300 -0.113 0.000 1.253 306 P CA -0.078 62.947 63.100 -0.124 0.000 0.800 306 P CB 1.200 32.847 31.700 -0.087 0.000 0.961 307 A N 3.404 126.170 122.820 -0.091 0.000 2.580 307 A HA 0.264 4.584 4.320 0.000 0.000 0.244 307 A C 0.641 178.180 177.584 -0.075 0.000 1.045 307 A CA 0.209 52.200 52.037 -0.076 0.000 0.761 307 A CB -0.855 18.114 19.000 -0.052 0.000 0.962 307 A HN 0.483 nan 8.150 nan 0.000 0.512 308 V N 1.196 121.064 119.914 -0.077 0.000 2.628 308 V HA 0.504 4.624 4.120 0.000 0.000 0.306 308 V C 0.838 176.899 176.094 -0.055 0.000 1.045 308 V CA -0.960 61.303 62.300 -0.061 0.000 0.905 308 V CB 1.760 33.549 31.823 -0.058 0.000 0.997 308 V HN 0.824 nan 8.190 nan 0.000 0.436 309 K N 2.373 122.744 120.400 -0.048 0.000 2.211 309 K HA 0.131 4.451 4.320 0.000 0.000 0.203 309 K C 1.050 177.619 176.600 -0.052 0.000 1.050 309 K CA 1.458 57.709 56.287 -0.060 0.000 0.945 309 K CB 0.042 32.507 32.500 -0.058 0.000 0.732 309 K HN 0.975 nan 8.250 nan 0.000 0.451 310 A N 1.913 124.737 122.820 0.006 0.000 2.880 310 A HA 0.375 4.695 4.320 0.000 0.000 0.328 310 A C -0.545 177.128 177.584 0.149 0.000 1.440 310 A CA -0.330 51.768 52.037 0.102 0.000 1.068 310 A CB 0.171 19.291 19.000 0.199 0.000 1.163 310 A HN 0.037 nan 8.150 nan 0.000 0.510 311 S N 0.756 116.514 115.700 0.097 0.000 2.638 311 S HA 0.637 5.107 4.470 0.000 0.000 0.274 311 S C -1.363 173.302 174.600 0.107 0.000 1.157 311 S CA -0.632 57.646 58.200 0.130 0.000 0.826 311 S CB 1.317 64.532 63.200 0.025 0.000 1.139 311 S HN 0.740 nan 8.310 nan 0.000 0.474 312 W N 2.939 124.222 121.300 -0.029 0.000 2.391 312 W HA 0.578 5.238 4.660 -0.000 0.000 0.312 312 W C -1.824 174.543 176.519 -0.255 0.000 1.003 312 W CA -0.722 56.551 57.345 -0.120 0.000 1.375 312 W CB 0.503 30.003 29.460 0.067 0.000 1.253 312 W HN 0.435 nan 8.180 nan 0.000 0.416 313 V N 7.124 126.622 119.914 -0.694 0.000 2.607 313 V HA 0.463 4.583 4.120 0.000 0.000 0.289 313 V C 0.057 175.750 176.094 -0.668 0.000 1.053 313 V CA 0.133 61.928 62.300 -0.842 0.000 0.996 313 V CB 0.982 31.733 31.823 -1.787 0.000 0.995 313 V HN 0.666 nan 8.190 nan 0.000 0.476 314 H N 1.718 120.706 119.070 -0.137 0.000 2.935 314 H HA 0.794 5.351 4.556 0.000 0.000 0.297 314 H C -1.200 174.457 175.328 0.548 0.000 1.423 314 H CA -1.266 54.875 56.048 0.156 0.000 1.161 314 H CB 1.691 31.579 29.762 0.210 0.000 1.841 314 H HN 0.519 nan 8.280 nan 0.000 0.506 315 K N 1.078 121.665 120.400 0.311 0.000 2.580 315 K HA 0.322 4.643 4.320 0.000 0.000 0.258 315 K C -1.468 175.291 176.600 0.264 0.000 0.936 315 K CA 0.015 56.409 56.287 0.178 0.000 0.852 315 K CB 2.181 34.732 32.500 0.084 0.000 1.329 315 K HN 0.923 nan 8.250 nan 0.000 0.430 316 T N -0.149 114.541 114.554 0.227 0.000 2.927 316 T HA 0.894 5.245 4.350 0.000 0.000 0.281 316 T C 0.215 175.017 174.700 0.169 0.000 0.998 316 T CA -0.530 61.724 62.100 0.258 0.000 1.019 316 T CB 1.691 70.616 68.868 0.094 0.000 1.061 316 T HN 0.695 nan 8.240 nan 0.000 0.518 317 G N -0.018 108.881 108.800 0.165 0.000 2.755 317 G HA2 0.560 4.520 3.960 0.000 0.000 0.297 317 G HA3 0.560 4.520 3.960 0.000 0.000 0.297 317 G C -1.356 173.634 174.900 0.150 0.000 1.441 317 G CA -0.808 44.391 45.100 0.165 0.000 0.964 317 G HN 0.833 nan 8.290 nan 0.000 0.540 318 S N -0.678 115.105 115.700 0.139 0.000 2.627 318 S HA 0.942 5.412 4.470 0.000 0.000 0.283 318 S C -0.490 174.198 174.600 0.145 0.000 1.127 318 S CA -0.458 57.825 58.200 0.138 0.000 0.863 318 S CB 2.253 65.497 63.200 0.074 0.000 1.121 318 S HN 1.669 nan 8.310 nan 0.000 0.479 319 T N -2.169 112.496 114.554 0.185 0.000 3.047 319 T HA 0.576 4.926 4.350 0.000 0.000 0.340 319 T C 1.057 175.887 174.700 0.217 0.000 1.421 319 T CA -0.231 61.979 62.100 0.183 0.000 1.090 319 T CB 0.756 69.785 68.868 0.270 0.000 1.292 319 T HN 0.883 nan 8.240 nan 0.000 0.480 320 G N 2.285 111.171 108.800 0.143 0.000 3.364 320 G HA2 -0.276 3.684 3.960 0.000 0.000 0.282 320 G HA3 -0.276 3.684 3.960 0.000 0.000 0.282 320 G C 1.408 176.381 174.900 0.120 0.000 1.007 320 G CA 1.460 46.630 45.100 0.118 0.000 0.817 320 G HN 1.771 nan 8.290 nan 0.000 1.152 321 G N -0.932 107.938 108.800 0.117 0.000 2.985 321 G HA2 0.409 4.369 3.960 0.000 0.000 0.209 321 G HA3 0.409 4.369 3.960 0.000 0.000 0.209 321 G C -0.115 174.633 174.900 -0.253 0.000 1.165 321 G CA -0.259 44.777 45.100 -0.106 0.000 0.776 321 G HN 0.306 nan 8.290 nan 0.000 0.541 322 F N -0.419 119.654 119.950 0.205 0.000 2.556 322 F HA 0.611 5.138 4.527 -0.000 0.000 0.314 322 F C 0.381 176.311 175.800 0.217 0.000 1.106 322 F CA -1.118 57.034 58.000 0.254 0.000 0.911 322 F CB 2.387 41.553 39.000 0.277 0.000 1.190 322 F HN -0.019 nan 8.300 nan 0.000 0.448 323 G N 1.131 110.197 108.800 0.443 0.000 2.478 323 G HA2 0.600 4.560 3.960 0.000 0.000 0.317 323 G HA3 0.600 4.560 3.960 0.000 0.000 0.317 323 G C -1.285 173.813 174.900 0.332 0.000 1.259 323 G CA -0.542 44.728 45.100 0.284 0.000 0.933 323 G HN 0.556 nan 8.290 nan 0.000 0.478 324 S N 0.292 116.148 115.700 0.260 0.000 2.569 324 S HA 0.720 5.190 4.470 0.000 0.000 0.280 324 S C -1.710 173.092 174.600 0.336 0.000 1.111 324 S CA -0.563 57.810 58.200 0.289 0.000 0.887 324 S CB 1.888 65.252 63.200 0.275 0.000 1.095 324 S HN 0.657 nan 8.310 nan 0.000 0.476 325 Y N 0.967 121.384 120.300 0.195 0.000 2.480 325 Y HA 0.601 5.151 4.550 -0.000 0.000 0.329 325 Y C -1.836 174.222 175.900 0.265 0.000 1.127 325 Y CA -0.638 57.591 58.100 0.214 0.000 1.037 325 Y CB 1.046 39.630 38.460 0.206 0.000 1.320 325 Y HN 0.488 nan 8.280 nan 0.000 0.446 326 V N 4.781 124.524 119.914 -0.285 0.000 2.760 326 V HA 0.947 5.067 4.120 0.000 0.000 0.309 326 V C -0.949 174.923 176.094 -0.371 0.000 1.077 326 V CA -0.224 61.997 62.300 -0.132 0.000 0.910 326 V CB 1.613 33.592 31.823 0.259 0.000 1.008 326 V HN 0.887 nan 8.190 nan 0.000 0.424 327 A N 4.624 127.262 122.820 -0.304 0.000 2.572 327 A HA 1.052 5.372 4.320 0.000 0.000 0.295 327 A C -1.382 175.984 177.584 -0.362 0.000 1.072 327 A CA -0.549 51.209 52.037 -0.466 0.000 0.691 327 A CB 1.969 20.644 19.000 -0.542 0.000 1.291 327 A HN 1.626 nan 8.150 nan 0.000 0.404 328 F N -0.998 118.499 119.950 -0.754 0.000 2.672 328 F HA 0.639 5.166 4.527 -0.000 0.000 0.311 328 F C -1.620 173.766 175.800 -0.689 0.000 1.113 328 F CA -1.043 56.574 58.000 -0.638 0.000 0.996 328 F CB 1.250 39.953 39.000 -0.494 0.000 1.286 328 F HN 0.301 nan 8.300 nan 0.000 0.441 329 V N 4.080 123.762 119.914 -0.386 0.000 2.266 329 V HA 0.283 4.403 4.120 0.000 0.000 0.271 329 V C -1.878 174.038 176.094 -0.297 0.000 1.032 329 V CA -1.618 60.395 62.300 -0.477 0.000 0.806 329 V CB 1.058 32.394 31.823 -0.811 0.000 1.052 329 V HN 0.684 nan 8.190 nan 0.000 0.449 330 P HA -0.252 nan 4.420 nan 0.000 0.217 330 P C 1.671 178.867 177.300 -0.173 0.000 1.162 330 P CA 1.602 64.628 63.100 -0.123 0.000 0.901 330 P CB 0.444 32.096 31.700 -0.081 0.000 0.793 331 E N -0.530 119.552 120.200 -0.197 0.000 2.118 331 E HA -0.224 4.126 4.350 0.000 0.000 0.195 331 E C 1.203 177.696 176.600 -0.179 0.000 0.992 331 E CA 1.199 57.501 56.400 -0.164 0.000 0.804 331 E CB -0.093 29.530 29.700 -0.127 0.000 0.741 331 E HN 0.033 nan 8.360 nan 0.000 0.458 332 K N 0.148 120.389 120.400 -0.264 0.000 2.367 332 K HA 0.068 4.388 4.320 0.000 0.000 0.194 332 K C 0.280 176.755 176.600 -0.208 0.000 1.027 332 K CA 0.284 56.437 56.287 -0.224 0.000 1.075 332 K CB 0.036 32.367 32.500 -0.282 0.000 0.845 332 K HN 0.143 nan 8.250 nan 0.000 0.529 333 N N 0.414 118.987 118.700 -0.211 0.000 2.725 333 N HA -0.208 4.532 4.740 0.000 0.000 0.249 333 N C -1.063 174.339 175.510 -0.180 0.000 1.103 333 N CA 0.356 53.289 53.050 -0.194 0.000 0.707 333 N CB -0.835 37.542 38.487 -0.183 0.000 1.043 333 N HN 0.115 nan 8.380 nan 0.000 0.553 334 L N -0.445 120.670 121.223 -0.180 0.000 2.334 334 L HA 0.901 5.241 4.340 0.000 0.000 0.273 334 L C 0.614 177.405 176.870 -0.132 0.000 1.013 334 L CA 0.054 54.822 54.840 -0.120 0.000 0.816 334 L CB 1.761 43.747 42.059 -0.121 0.000 1.278 334 L HN 0.058 nan 8.230 nan 0.000 0.431 335 G N 3.430 112.188 108.800 -0.070 0.000 2.608 335 G HA2 0.609 4.569 3.960 0.000 0.000 0.291 335 G HA3 0.609 4.569 3.960 0.000 0.000 0.291 335 G C -2.240 172.662 174.900 0.004 0.000 1.425 335 G CA -0.362 44.701 45.100 -0.062 0.000 0.787 335 G HN 0.834 nan 8.290 nan 0.000 0.484 336 I N -0.393 120.188 120.570 0.019 0.000 2.743 336 I HA 0.633 4.803 4.170 0.000 0.000 0.292 336 I C -1.539 174.645 176.117 0.113 0.000 1.343 336 I CA -0.694 60.664 61.300 0.096 0.000 1.038 336 I CB 2.287 40.362 38.000 0.125 0.000 1.311 336 I HN 0.433 nan 8.210 nan 0.000 0.426 337 V N 7.888 127.906 119.914 0.174 0.000 2.407 337 V HA 0.533 4.653 4.120 0.000 0.000 0.291 337 V C -0.374 175.852 176.094 0.221 0.000 1.018 337 V CA -0.330 62.086 62.300 0.193 0.000 0.842 337 V CB 1.564 33.512 31.823 0.209 0.000 0.996 337 V HN 0.686 nan 8.190 nan 0.000 0.426 338 M N 6.649 126.390 119.600 0.235 0.000 2.085 338 M HA 0.601 5.081 4.480 0.000 0.000 0.309 338 M C -1.209 175.209 176.300 0.196 0.000 0.947 338 M CA -0.059 55.389 55.300 0.247 0.000 0.918 338 M CB 1.606 34.404 32.600 0.330 0.000 1.504 338 M HN 0.410 nan 8.290 nan 0.000 0.420 339 L N 2.997 124.248 121.223 0.045 0.000 2.343 339 L HA 0.952 5.292 4.340 0.000 0.000 0.278 339 L C -0.370 176.376 176.870 -0.207 0.000 0.996 339 L CA -0.694 54.065 54.840 -0.135 0.000 0.831 339 L CB 1.600 43.389 42.059 -0.450 0.000 1.232 339 L HN 0.743 nan 8.230 nan 0.000 0.413 340 A N 2.394 125.332 122.820 0.196 0.000 2.380 340 A HA 0.659 4.979 4.320 0.000 0.000 0.315 340 A C -0.450 177.509 177.584 0.625 0.000 1.101 340 A CA -0.717 51.539 52.037 0.365 0.000 0.771 340 A CB 1.221 20.443 19.000 0.369 0.000 1.287 340 A HN 0.749 nan 8.150 nan 0.000 0.436 341 N N 1.498 120.534 118.700 0.560 0.000 3.228 341 N HA 0.265 5.005 4.740 0.000 0.000 0.289 341 N C -0.776 174.753 175.510 0.031 0.000 1.419 341 N CA -0.294 52.858 53.050 0.171 0.000 1.088 341 N CB 0.436 39.045 38.487 0.204 0.000 1.357 341 N HN 0.680 nan 8.380 nan 0.000 0.504 342 K N -0.270 120.182 120.400 0.088 0.000 2.577 342 K HA 0.097 4.417 4.320 0.000 0.000 0.267 342 K C -1.790 174.957 176.600 0.245 0.000 0.979 342 K CA -0.327 56.038 56.287 0.131 0.000 0.942 342 K CB 1.028 33.615 32.500 0.145 0.000 1.343 342 K HN 0.071 nan 8.250 nan 0.000 0.436 343 S N 3.787 119.606 115.700 0.197 0.000 2.528 343 S HA 0.429 4.899 4.470 0.000 0.000 0.277 343 S C -0.809 173.952 174.600 0.267 0.000 1.297 343 S CA -0.316 58.016 58.200 0.221 0.000 1.052 343 S CB -0.025 63.257 63.200 0.137 0.000 0.917 343 S HN 0.457 nan 8.310 nan 0.000 0.492 344 Y N 2.648 122.991 120.300 0.072 0.000 2.665 344 Y HA 0.791 5.341 4.550 -0.000 0.000 0.336 344 Y C -2.828 173.092 175.900 0.033 0.000 1.085 344 Y CA -3.072 55.055 58.100 0.045 0.000 1.096 344 Y CB -0.071 38.413 38.460 0.041 0.000 1.301 344 Y HN 0.367 nan 8.280 nan 0.000 0.493 345 P HA 0.019 nan 4.420 nan 0.000 0.264 345 P C -0.037 177.129 177.300 -0.223 0.000 1.193 345 P CA 0.315 63.376 63.100 -0.066 0.000 0.763 345 P CB 0.860 32.577 31.700 0.028 0.000 0.810 346 N N 4.246 122.819 118.700 -0.210 0.000 2.018 346 N HA -0.134 4.606 4.740 0.000 0.000 0.196 346 N C -0.898 174.483 175.510 -0.215 0.000 1.043 346 N CA 1.832 54.737 53.050 -0.241 0.000 0.856 346 N CB -1.772 36.607 38.487 -0.179 0.000 1.042 346 N HN 0.404 nan 8.380 nan 0.000 0.423 347 P HA -0.037 nan 4.420 nan 0.000 0.228 347 P C 1.421 178.687 177.300 -0.056 0.000 1.151 347 P CA 0.497 63.535 63.100 -0.104 0.000 0.770 347 P CB 0.159 31.811 31.700 -0.080 0.000 0.786 348 V N -0.282 119.621 119.914 -0.019 0.000 2.283 348 V HA -0.194 3.926 4.120 0.000 0.000 0.243 348 V C 2.448 178.622 176.094 0.133 0.000 1.039 348 V CA 1.700 64.056 62.300 0.094 0.000 1.016 348 V CB -0.906 31.050 31.823 0.222 0.000 0.650 348 V HN 0.006 nan 8.190 nan 0.000 0.449 349 R N -0.094 120.453 120.500 0.079 0.000 2.080 349 R HA -0.153 4.187 4.340 0.000 0.000 0.236 349 R C 2.219 178.506 176.300 -0.023 0.000 1.137 349 R CA 1.771 57.916 56.100 0.074 0.000 0.943 349 R CB -0.773 29.418 30.300 -0.182 0.000 0.846 349 R HN 0.388 nan 8.270 nan 0.000 0.431 350 V N 1.033 120.799 119.914 -0.246 0.000 2.407 350 V HA -0.226 3.894 4.120 0.000 0.000 0.248 350 V C 2.296 178.454 176.094 0.106 0.000 1.055 350 V CA 1.965 64.130 62.300 -0.224 0.000 1.049 350 V CB -0.499 31.164 31.823 -0.265 0.000 0.662 350 V HN 0.430 nan 8.190 nan 0.000 0.455 351 E N 0.245 120.489 120.200 0.073 0.000 2.158 351 E HA -0.127 4.223 4.350 0.000 0.000 0.191 351 E C 2.191 178.926 176.600 0.226 0.000 0.982 351 E CA 1.061 57.537 56.400 0.128 0.000 0.823 351 E CB -0.032 29.697 29.700 0.048 0.000 0.766 351 E HN 0.559 nan 8.360 nan 0.000 0.468 352 A N 1.400 124.338 122.820 0.197 0.000 1.872 352 A HA 0.030 4.350 4.320 0.000 0.000 0.214 352 A C 2.415 180.161 177.584 0.270 0.000 1.187 352 A CA 1.427 53.581 52.037 0.195 0.000 0.614 352 A CB -0.666 18.430 19.000 0.160 0.000 0.826 352 A HN 0.364 nan 8.150 nan 0.000 0.442 353 A N -1.469 121.572 122.820 0.368 0.000 1.978 353 A HA -0.202 4.118 4.320 0.000 0.000 0.220 353 A C 2.055 179.955 177.584 0.526 0.000 1.170 353 A CA 1.436 53.772 52.037 0.498 0.000 0.636 353 A CB -0.739 18.753 19.000 0.820 0.000 0.810 353 A HN 0.874 nan 8.150 nan 0.000 0.448 354 W N 0.417 121.909 121.300 0.321 0.000 2.481 354 W HA -0.037 4.622 4.660 -0.001 0.000 0.293 354 W C 2.194 178.829 176.519 0.193 0.000 1.201 354 W CA 1.066 58.578 57.345 0.278 0.000 1.328 354 W CB -0.286 29.257 29.460 0.138 0.000 1.112 354 W HN 0.320 nan 8.180 nan 0.000 0.546 355 R N 0.393 121.080 120.500 0.312 0.000 2.103 355 R HA -0.236 4.104 4.340 0.000 0.000 0.234 355 R C 2.279 178.605 176.300 0.044 0.000 1.132 355 R CA 2.802 59.001 56.100 0.165 0.000 0.925 355 R CB -0.959 29.424 30.300 0.139 0.000 0.842 355 R HN 0.174 nan 8.270 nan 0.000 0.430 356 I N 0.873 121.484 120.570 0.069 0.000 2.053 356 I HA -0.394 3.776 4.170 0.000 0.000 0.236 356 I C 2.444 178.559 176.117 -0.005 0.000 1.038 356 I CA 1.607 62.925 61.300 0.030 0.000 1.304 356 I CB -0.591 37.447 38.000 0.064 0.000 1.023 356 I HN 0.216 nan 8.210 nan 0.000 0.395 357 L N 0.319 121.553 121.223 0.019 0.000 1.991 357 L HA -0.326 4.015 4.340 0.000 0.000 0.221 357 L C 2.700 179.506 176.870 -0.107 0.000 1.079 357 L CA 2.271 57.103 54.840 -0.013 0.000 0.778 357 L CB -0.889 41.206 42.059 0.061 0.000 0.893 357 L HN 0.425 nan 8.230 nan 0.000 0.437 358 E N 0.302 120.325 120.200 -0.296 0.000 2.114 358 E HA -0.276 4.074 4.350 0.000 0.000 0.199 358 E C 2.116 178.650 176.600 -0.109 0.000 1.008 358 E CA 1.541 57.742 56.400 -0.333 0.000 0.810 358 E CB 0.069 29.507 29.700 -0.436 0.000 0.739 358 E HN 0.279 nan 8.360 nan 0.000 0.456 359 K N -0.201 120.155 120.400 -0.074 0.000 2.288 359 K HA -0.049 4.271 4.320 0.000 0.000 0.201 359 K C 1.719 178.297 176.600 -0.036 0.000 1.048 359 K CA 0.685 56.947 56.287 -0.042 0.000 0.956 359 K CB 0.133 32.606 32.500 -0.045 0.000 0.746 359 K HN 0.343 nan 8.250 nan 0.000 0.461 360 L N 0.760 121.973 121.223 -0.017 0.000 2.693 360 L HA 0.080 4.420 4.340 0.000 0.000 0.235 360 L C 1.231 178.188 176.870 0.145 0.000 1.127 360 L CA -0.175 54.687 54.840 0.036 0.000 0.914 360 L CB 0.216 42.284 42.059 0.015 0.000 1.193 360 L HN 0.125 nan 8.230 nan 0.000 0.502 361 Q N 0.000 119.859 119.800 0.099 0.000 2.315 361 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 361 Q CA 0.000 55.887 55.803 0.140 0.000 1.022 361 Q CB 0.000 28.864 28.738 0.210 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481