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 1qlp_1_A DATA FIRST_RESID 23 DATA SEQUENCE FNKITPNLAE FAFSLYRQLA HQSNSTNIFF SPVSIATAFA MLSLGTKADT DATA SEQUENCE HDEILEGLNF NLTEIPEAQI HEGFQELLRT LNQPDSQLQL TTGNGLFLSE DATA SEQUENCE GLKLVDKFLE DVKKLYHSEA FTVNFGDTEE AKKQINDYVE KGTQGKIVDL DATA SEQUENCE VKELDRDTVF ALVNYIFFKG KWERPFEVKD TEEEDFHVDQ VTTVKVPMMK DATA SEQUENCE RLGMFNIQHC KKLSSWVLLM KYLGNATAIF FLPDEGKLQH LENELTHDII DATA SEQUENCE TKFLENEDRR SASLHLPKLS ITGTYDLKSV LGQLGITKVF SNGADLSGVT DATA SEQUENCE EEAPLKLSKA VHKAVLTIDE KGTEAAGAMF LEAIPMSIPP EVKFNKPFVF DATA SEQUENCE LMIEQNTKSP LFMGKVVNPT QK 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 23 F HA 0.000 nan 4.527 nan 0.000 0.279 23 F C 0.000 175.803 175.800 0.005 0.000 0.967 23 F CA 0.000 58.014 58.000 0.024 0.000 1.383 23 F CB 0.000 39.012 39.000 0.019 0.000 1.145 24 N N 1.468 120.159 118.700 -0.015 0.000 2.516 24 N HA 0.156 4.896 4.740 0.001 0.000 0.268 24 N C 0.304 175.769 175.510 -0.075 0.000 1.096 24 N CA -0.342 52.682 53.050 -0.044 0.000 0.954 24 N CB 1.962 40.440 38.487 -0.015 0.000 1.676 24 N HN -0.025 nan 8.380 nan 0.000 0.490 25 K N 2.002 122.352 120.400 -0.082 0.000 2.160 25 K HA -0.054 4.267 4.320 0.001 0.000 0.206 25 K C 1.561 178.136 176.600 -0.042 0.000 1.047 25 K CA 1.421 57.671 56.287 -0.062 0.000 0.930 25 K CB -0.251 32.218 32.500 -0.053 0.000 0.720 25 K HN 0.759 nan 8.250 nan 0.000 0.450 26 I N -2.935 117.594 120.570 -0.067 0.000 3.883 26 I HA 0.065 4.235 4.170 0.001 0.000 0.326 26 I C 1.333 177.364 176.117 -0.144 0.000 1.283 26 I CA 0.087 61.359 61.300 -0.047 0.000 1.161 26 I CB 0.025 37.979 38.000 -0.076 0.000 1.012 26 I HN -0.251 nan 8.210 nan 0.000 0.421 27 T N 2.837 117.310 114.554 -0.135 0.000 2.684 27 T HA -0.036 4.315 4.350 0.001 0.000 0.267 27 T C -0.390 174.120 174.700 -0.318 0.000 1.036 27 T CA 2.187 64.183 62.100 -0.174 0.000 1.148 27 T CB -1.016 67.812 68.868 -0.067 0.000 0.863 27 T HN 0.363 nan 8.240 nan 0.000 0.436 28 P HA -0.061 nan 4.420 nan 0.000 0.216 28 P C 1.335 178.457 177.300 -0.297 0.000 1.150 28 P CA 1.010 63.915 63.100 -0.325 0.000 0.837 28 P CB -0.134 31.514 31.700 -0.087 0.000 0.786 29 N N -0.444 118.079 118.700 -0.296 0.000 2.106 29 N HA -0.067 4.674 4.740 0.001 0.000 0.188 29 N C 1.829 177.106 175.510 -0.388 0.000 1.029 29 N CA 1.090 53.879 53.050 -0.436 0.000 0.848 29 N CB -0.723 37.256 38.487 -0.847 0.000 1.007 29 N HN 0.199 nan 8.380 nan 0.000 0.423 30 L N 1.115 122.143 121.223 -0.326 0.000 2.083 30 L HA -0.102 4.238 4.340 0.001 0.000 0.209 30 L C 2.566 179.314 176.870 -0.202 0.000 1.083 30 L CA 0.949 55.684 54.840 -0.173 0.000 0.752 30 L CB -0.440 41.532 42.059 -0.145 0.000 0.899 30 L HN 0.129 nan 8.230 nan 0.000 0.433 31 A N -0.554 122.053 122.820 -0.354 0.000 1.930 31 A HA -0.146 4.174 4.320 0.001 0.000 0.217 31 A C 2.212 179.494 177.584 -0.503 0.000 1.175 31 A CA 1.183 52.905 52.037 -0.524 0.000 0.627 31 A CB -0.244 18.406 19.000 -0.583 0.000 0.815 31 A HN 0.284 nan 8.150 nan 0.000 0.443 32 E N -0.808 119.271 120.200 -0.203 0.000 2.106 32 E HA -0.136 4.214 4.350 0.001 0.000 0.192 32 E C 1.672 178.266 176.600 -0.010 0.000 0.984 32 E CA 0.925 57.321 56.400 -0.008 0.000 0.806 32 E CB -0.510 29.184 29.700 -0.011 0.000 0.750 32 E HN 0.676 nan 8.360 nan 0.000 0.458 33 F N 1.552 121.380 119.950 -0.203 0.000 2.146 33 F HA -0.082 4.442 4.527 -0.004 0.000 0.298 33 F C 2.174 177.909 175.800 -0.108 0.000 1.096 33 F CA 1.333 59.242 58.000 -0.152 0.000 1.275 33 F CB -0.491 38.409 39.000 -0.167 0.000 1.008 33 F HN -0.018 nan 8.300 nan 0.000 0.480 34 A N 0.339 122.981 122.820 -0.297 0.000 1.917 34 A HA -0.198 4.122 4.320 0.001 0.000 0.219 34 A C 2.090 179.573 177.584 -0.169 0.000 1.182 34 A CA 2.042 53.897 52.037 -0.304 0.000 0.633 34 A CB -1.480 17.250 19.000 -0.450 0.000 0.819 34 A HN 0.415 nan 8.150 nan 0.000 0.448 35 F N 1.120 121.038 119.950 -0.053 0.000 2.084 35 F HA -0.129 4.396 4.527 -0.003 0.000 0.296 35 F C 3.035 178.809 175.800 -0.043 0.000 1.111 35 F CA 1.254 59.240 58.000 -0.024 0.000 1.224 35 F CB -1.160 37.810 39.000 -0.049 0.000 0.991 35 F HN 0.356 nan 8.300 nan 0.000 0.471 36 S N 0.363 116.106 115.700 0.071 0.000 2.383 36 S HA -0.201 4.269 4.470 0.001 0.000 0.229 36 S C 2.034 176.545 174.600 -0.148 0.000 1.030 36 S CA 1.245 59.429 58.200 -0.026 0.000 1.002 36 S CB -1.059 62.128 63.200 -0.022 0.000 0.829 36 S HN 0.255 nan 8.310 nan 0.000 0.467 37 L N 0.527 121.549 121.223 -0.335 0.000 2.027 37 L HA 0.081 4.421 4.340 0.001 0.000 0.206 37 L C 2.303 178.912 176.870 -0.434 0.000 1.074 37 L CA 1.724 56.233 54.840 -0.552 0.000 0.745 37 L CB -1.362 40.108 42.059 -0.981 0.000 0.898 37 L HN 0.427 nan 8.230 nan 0.000 0.433 38 Y N 0.400 120.565 120.300 -0.225 0.000 2.097 38 Y HA -0.291 4.258 4.550 -0.001 0.000 0.282 38 Y C 2.711 178.572 175.900 -0.065 0.000 1.152 38 Y CA 2.025 60.112 58.100 -0.021 0.000 1.136 38 Y CB -0.140 38.442 38.460 0.202 0.000 0.975 38 Y HN 0.113 nan 8.280 nan 0.000 0.498 39 R N -0.306 120.247 120.500 0.088 0.000 2.152 39 R HA -0.199 4.142 4.340 0.001 0.000 0.232 39 R C 2.258 178.477 176.300 -0.135 0.000 1.117 39 R CA 1.358 57.437 56.100 -0.036 0.000 0.981 39 R CB -0.271 30.023 30.300 -0.009 0.000 0.870 39 R HN 0.402 nan 8.270 nan 0.000 0.451 40 Q N 1.081 120.793 119.800 -0.146 0.000 2.016 40 Q HA -0.092 4.249 4.340 0.001 0.000 0.200 40 Q C 1.832 177.750 176.000 -0.138 0.000 0.978 40 Q CA 1.605 57.336 55.803 -0.119 0.000 0.833 40 Q CB -0.209 28.423 28.738 -0.176 0.000 0.895 40 Q HN 0.325 nan 8.270 nan 0.000 0.427 41 L N 0.003 121.064 121.223 -0.270 0.000 2.083 41 L HA -0.090 4.250 4.340 0.001 0.000 0.209 41 L C 2.449 179.198 176.870 -0.202 0.000 1.083 41 L CA 0.998 55.687 54.840 -0.252 0.000 0.752 41 L CB -0.769 41.061 42.059 -0.381 0.000 0.899 41 L HN 0.351 nan 8.230 nan 0.000 0.433 42 A N -1.291 121.335 122.820 -0.323 0.000 2.015 42 A HA -0.239 4.081 4.320 0.001 0.000 0.219 42 A C 2.097 179.664 177.584 -0.029 0.000 1.163 42 A CA 1.383 53.272 52.037 -0.247 0.000 0.646 42 A CB -0.808 17.972 19.000 -0.365 0.000 0.806 42 A HN 0.475 nan 8.150 nan 0.000 0.448 43 H N -0.859 118.138 119.070 -0.120 0.000 2.363 43 H HA -0.085 4.472 4.556 0.002 0.000 0.301 43 H C 2.333 177.627 175.328 -0.056 0.000 1.074 43 H CA 1.124 57.131 56.048 -0.069 0.000 1.354 43 H CB 0.136 29.860 29.762 -0.064 0.000 1.397 43 H HN 0.619 nan 8.280 nan 0.000 0.516 44 Q N 0.279 120.098 119.800 0.033 0.000 2.096 44 Q HA -0.131 4.209 4.340 0.001 0.000 0.208 44 Q C 0.517 176.510 176.000 -0.013 0.000 0.993 44 Q CA 1.474 57.265 55.803 -0.020 0.000 0.862 44 Q CB 0.028 28.755 28.738 -0.018 0.000 0.915 44 Q HN 0.279 nan 8.270 nan 0.000 0.416 45 S N -2.002 113.701 115.700 0.005 0.000 2.537 45 S HA 0.281 4.751 4.470 0.001 0.000 0.271 45 S C -0.880 173.734 174.600 0.022 0.000 1.148 45 S CA -0.943 57.265 58.200 0.013 0.000 0.868 45 S CB 1.275 64.483 63.200 0.013 0.000 1.115 45 S HN 0.242 nan 8.310 nan 0.000 0.461 46 N N 0.567 119.288 118.700 0.034 0.000 2.234 46 N HA 0.153 4.893 4.740 0.001 0.000 0.227 46 N C 0.560 176.103 175.510 0.055 0.000 1.151 46 N CA 0.332 53.410 53.050 0.046 0.000 0.865 46 N CB 0.449 38.972 38.487 0.059 0.000 1.066 46 N HN 0.720 nan 8.380 nan 0.000 0.515 47 S N -1.233 114.495 115.700 0.046 0.000 2.663 47 S HA 0.219 4.690 4.470 0.001 0.000 0.243 47 S C 0.164 174.791 174.600 0.045 0.000 1.009 47 S CA -0.414 57.815 58.200 0.049 0.000 0.988 47 S CB 0.679 63.903 63.200 0.041 0.000 0.896 47 S HN -0.132 nan 8.310 nan 0.000 0.502 48 T N 2.895 117.478 114.554 0.048 0.000 2.893 48 T HA 0.456 4.806 4.350 0.001 0.000 0.291 48 T C -0.717 174.027 174.700 0.073 0.000 1.028 48 T CA -0.758 61.372 62.100 0.051 0.000 0.995 48 T CB 1.207 70.104 68.868 0.048 0.000 1.051 48 T HN 0.164 nan 8.240 nan 0.000 0.470 49 N N 1.838 120.585 118.700 0.078 0.000 2.513 49 N HA 0.319 5.059 4.740 0.001 0.000 0.268 49 N C -0.614 175.010 175.510 0.190 0.000 1.180 49 N CA 0.065 53.183 53.050 0.114 0.000 0.948 49 N CB 0.472 39.016 38.487 0.095 0.000 1.083 49 N HN 0.493 nan 8.380 nan 0.000 0.455 50 I N 1.954 122.668 120.570 0.240 0.000 2.433 50 I HA 0.417 4.588 4.170 0.001 0.000 0.292 50 I C -0.901 175.504 176.117 0.480 0.000 1.001 50 I CA -0.739 60.771 61.300 0.351 0.000 1.119 50 I CB 1.198 39.334 38.000 0.227 0.000 1.289 50 I HN 0.297 nan 8.210 nan 0.000 0.438 51 F N 8.878 129.082 119.950 0.424 0.000 2.722 51 F HA 0.559 5.087 4.527 0.002 0.000 0.336 51 F C -1.593 174.549 175.800 0.570 0.000 1.216 51 F CA -0.858 57.354 58.000 0.353 0.000 1.065 51 F CB 1.205 40.382 39.000 0.294 0.000 1.325 51 F HN 0.321 nan 8.300 nan 0.000 0.524 52 F N 2.158 121.926 119.950 -0.303 0.000 2.711 52 F HA 0.716 5.242 4.527 -0.002 0.000 0.313 52 F C -1.422 174.335 175.800 -0.072 0.000 1.141 52 F CA -1.346 56.632 58.000 -0.036 0.000 0.941 52 F CB 1.348 40.332 39.000 -0.026 0.000 1.349 52 F HN 0.251 nan 8.300 nan 0.000 0.464 53 S N 2.128 118.001 115.700 0.288 0.000 2.532 53 S HA 0.480 4.950 4.470 0.001 0.000 0.318 53 S C -2.090 172.532 174.600 0.037 0.000 1.083 53 S CA -1.589 56.609 58.200 -0.004 0.000 1.131 53 S CB 0.826 64.068 63.200 0.069 0.000 0.973 53 S HN 0.508 nan 8.310 nan 0.000 0.468 54 P HA -0.109 nan 4.420 nan 0.000 0.215 54 P C 1.483 178.903 177.300 0.200 0.000 1.153 54 P CA 0.747 63.953 63.100 0.176 0.000 0.853 54 P CB 0.133 31.843 31.700 0.017 0.000 0.788 55 V N 0.334 120.262 119.914 0.023 0.000 2.358 55 V HA -0.235 3.885 4.120 0.001 0.000 0.246 55 V C 2.613 178.764 176.094 0.095 0.000 1.047 55 V CA 2.489 64.822 62.300 0.055 0.000 1.035 55 V CB -1.616 30.167 31.823 -0.067 0.000 0.658 55 V HN 0.281 nan 8.190 nan 0.000 0.452 56 S N -0.027 115.697 115.700 0.039 0.000 2.383 56 S HA -0.119 4.352 4.470 0.001 0.000 0.227 56 S C 1.961 176.620 174.600 0.098 0.000 1.026 56 S CA 1.529 59.780 58.200 0.086 0.000 0.981 56 S CB -0.576 62.712 63.200 0.147 0.000 0.818 56 S HN 0.524 nan 8.310 nan 0.000 0.472 57 I N 2.255 122.851 120.570 0.045 0.000 2.202 57 I HA -0.079 4.091 4.170 0.001 0.000 0.242 57 I C 3.118 179.308 176.117 0.122 0.000 1.091 57 I CA 1.130 62.470 61.300 0.068 0.000 1.368 57 I CB -0.660 37.340 38.000 0.000 0.000 1.058 57 I HN 0.435 nan 8.210 nan 0.000 0.410 58 A N 0.212 123.086 122.820 0.089 0.000 1.933 58 A HA -0.188 4.133 4.320 0.001 0.000 0.218 58 A C 2.380 179.902 177.584 -0.105 0.000 1.175 58 A CA 2.358 54.360 52.037 -0.057 0.000 0.628 58 A CB -1.045 17.993 19.000 0.063 0.000 0.814 58 A HN 0.370 nan 8.150 nan 0.000 0.444 59 T N 0.155 114.704 114.554 -0.009 0.000 2.777 59 T HA 0.008 4.358 4.350 0.001 0.000 0.266 59 T C 2.234 176.841 174.700 -0.156 0.000 1.040 59 T CA 1.490 63.491 62.100 -0.166 0.000 1.141 59 T CB -0.409 68.554 68.868 0.159 0.000 0.868 59 T HN 0.590 nan 8.240 nan 0.000 0.444 60 A N 0.795 123.611 122.820 -0.006 0.000 1.877 60 A HA -0.017 4.304 4.320 0.001 0.000 0.216 60 A C 1.949 179.437 177.584 -0.161 0.000 1.186 60 A CA 1.394 53.417 52.037 -0.022 0.000 0.620 60 A CB -0.942 18.151 19.000 0.154 0.000 0.822 60 A HN 0.462 nan 8.150 nan 0.000 0.443 61 F N -0.082 119.753 119.950 -0.191 0.000 2.259 61 F HA 0.060 4.588 4.527 0.002 0.000 0.298 61 F C 2.708 178.343 175.800 -0.275 0.000 1.088 61 F CA 0.649 58.532 58.000 -0.195 0.000 1.358 61 F CB -0.384 38.527 39.000 -0.148 0.000 1.040 61 F HN 0.256 nan 8.300 nan 0.000 0.505 62 A N -0.125 122.527 122.820 -0.280 0.000 1.898 62 A HA -0.213 4.108 4.320 0.001 0.000 0.216 62 A C 2.304 179.649 177.584 -0.399 0.000 1.181 62 A CA 1.599 53.419 52.037 -0.363 0.000 0.620 62 A CB -0.763 17.775 19.000 -0.769 0.000 0.819 62 A HN 0.386 nan 8.150 nan 0.000 0.442 63 M N -0.764 118.346 119.600 -0.817 0.000 2.117 63 M HA -0.151 4.330 4.480 0.001 0.000 0.262 63 M C 2.090 178.137 176.300 -0.421 0.000 1.065 63 M CA 2.106 56.715 55.300 -1.151 0.000 1.114 63 M CB -0.295 31.552 32.600 -1.256 0.000 1.361 63 M HN 0.404 nan 8.290 nan 0.000 0.408 64 L N 0.856 121.900 121.223 -0.299 0.000 2.046 64 L HA -0.161 4.179 4.340 0.001 0.000 0.208 64 L C 2.599 179.415 176.870 -0.091 0.000 1.077 64 L CA 2.447 57.204 54.840 -0.138 0.000 0.747 64 L CB -0.923 40.913 42.059 -0.372 0.000 0.896 64 L HN 0.563 nan 8.230 nan 0.000 0.432 65 S N -0.860 114.772 115.700 -0.114 0.000 2.420 65 S HA -0.239 4.231 4.470 0.001 0.000 0.237 65 S C 2.045 176.701 174.600 0.093 0.000 1.023 65 S CA 1.559 59.734 58.200 -0.042 0.000 0.991 65 S CB -1.164 61.950 63.200 -0.143 0.000 0.792 65 S HN 0.556 nan 8.310 nan 0.000 0.488 66 L N 0.907 122.164 121.223 0.057 0.000 2.187 66 L HA -0.021 4.319 4.340 0.001 0.000 0.213 66 L C 2.496 179.403 176.870 0.061 0.000 1.100 66 L CA 1.174 56.052 54.840 0.064 0.000 0.765 66 L CB -0.779 41.287 42.059 0.011 0.000 0.904 66 L HN 0.600 nan 8.230 nan 0.000 0.437 67 G N -1.209 107.562 108.800 -0.048 0.000 3.337 67 G HA2 0.102 4.062 3.960 0.001 0.000 0.246 67 G HA3 0.102 4.062 3.960 0.001 0.000 0.246 67 G C 0.494 175.247 174.900 -0.245 0.000 1.131 67 G CA 0.461 45.350 45.100 -0.351 0.000 0.773 67 G HN 0.344 nan 8.290 nan 0.000 0.544 68 T N -2.517 111.989 114.554 -0.081 0.000 2.910 68 T HA 0.782 5.133 4.350 0.001 0.000 0.287 68 T C -0.682 174.030 174.700 0.020 0.000 1.050 68 T CA -0.806 61.273 62.100 -0.035 0.000 1.011 68 T CB 2.976 71.844 68.868 -0.001 0.000 1.195 68 T HN 0.036 nan 8.240 nan 0.000 0.540 69 K N -0.283 120.125 120.400 0.012 0.000 2.522 69 K HA 0.708 5.028 4.320 0.001 0.000 0.275 69 K C 0.155 176.763 176.600 0.013 0.000 1.006 69 K CA -0.605 55.662 56.287 -0.034 0.000 0.890 69 K CB 1.949 34.406 32.500 -0.071 0.000 1.475 69 K HN 1.115 nan 8.250 nan 0.000 0.441 70 A N 0.968 123.772 122.820 -0.027 0.000 5.695 70 A HA -0.312 4.009 4.320 0.001 0.000 0.297 70 A C 0.895 178.522 177.584 0.072 0.000 1.947 70 A CA 1.598 53.642 52.037 0.010 0.000 0.717 70 A CB -1.760 17.240 19.000 -0.001 0.000 1.252 70 A HN 0.973 nan 8.150 nan 0.000 0.378 71 D N -0.994 119.436 120.400 0.049 0.000 2.133 71 D HA -0.110 4.530 4.640 0.001 0.000 0.195 71 D C 1.944 178.280 176.300 0.060 0.000 0.997 71 D CA 2.160 56.192 54.000 0.054 0.000 0.840 71 D CB -0.886 39.934 40.800 0.035 0.000 0.947 71 D HN 0.687 nan 8.370 nan 0.000 0.452 72 T N 0.172 114.755 114.554 0.049 0.000 2.684 72 T HA -0.210 4.140 4.350 0.001 0.000 0.267 72 T C 1.748 176.477 174.700 0.049 0.000 1.036 72 T CA 1.372 63.491 62.100 0.032 0.000 1.148 72 T CB -0.368 68.504 68.868 0.008 0.000 0.863 72 T HN 0.354 nan 8.240 nan 0.000 0.436 73 H N 1.519 120.578 119.070 -0.019 0.000 2.270 73 H HA -0.098 4.458 4.556 0.000 0.000 0.299 73 H C 1.775 177.108 175.328 0.008 0.000 1.077 73 H CA 1.828 57.869 56.048 -0.012 0.000 1.294 73 H CB -0.352 29.403 29.762 -0.012 0.000 1.371 73 H HN 0.210 nan 8.280 nan 0.000 0.491 74 D N 0.787 121.290 120.400 0.171 0.000 2.133 74 D HA -0.149 4.491 4.640 0.001 0.000 0.195 74 D C 2.234 178.545 176.300 0.017 0.000 0.997 74 D CA 1.027 55.088 54.000 0.102 0.000 0.840 74 D CB -0.349 40.529 40.800 0.130 0.000 0.947 74 D HN 0.580 nan 8.370 nan 0.000 0.452 75 E N 0.059 120.274 120.200 0.024 0.000 2.058 75 E HA -0.159 4.191 4.350 0.001 0.000 0.194 75 E C 2.401 179.007 176.600 0.011 0.000 0.997 75 E CA 0.573 56.989 56.400 0.026 0.000 0.801 75 E CB -0.106 29.615 29.700 0.035 0.000 0.746 75 E HN 0.333 nan 8.360 nan 0.000 0.450 76 I N 0.996 121.552 120.570 -0.022 0.000 2.163 76 I HA -0.314 3.856 4.170 0.001 0.000 0.243 76 I C 2.399 178.498 176.117 -0.030 0.000 1.085 76 I CA 1.115 62.406 61.300 -0.015 0.000 1.347 76 I CB -0.268 37.710 38.000 -0.036 0.000 1.044 76 I HN 0.136 nan 8.210 nan 0.000 0.408 77 L N 0.092 121.262 121.223 -0.089 0.000 2.093 77 L HA -0.172 4.169 4.340 0.001 0.000 0.208 77 L C 2.400 179.352 176.870 0.136 0.000 1.085 77 L CA 1.374 56.219 54.840 0.009 0.000 0.755 77 L CB -0.659 41.329 42.059 -0.118 0.000 0.904 77 L HN 0.284 nan 8.230 nan 0.000 0.435 78 E N 0.265 120.507 120.200 0.070 0.000 2.152 78 E HA -0.114 4.236 4.350 0.001 0.000 0.192 78 E C 2.189 178.821 176.600 0.053 0.000 0.983 78 E CA 0.885 57.331 56.400 0.075 0.000 0.818 78 E CB -0.204 29.530 29.700 0.057 0.000 0.758 78 E HN 0.523 nan 8.360 nan 0.000 0.467 79 G N 0.757 109.580 108.800 0.039 0.000 2.598 79 G HA2 -0.127 3.834 3.960 0.001 0.000 0.215 79 G HA3 -0.127 3.834 3.960 0.001 0.000 0.215 79 G C 1.263 176.172 174.900 0.015 0.000 1.131 79 G CA 0.124 45.249 45.100 0.041 0.000 0.785 79 G HN 0.106 nan 8.290 nan 0.000 0.539 80 L N 0.027 121.208 121.223 -0.070 0.000 2.653 80 L HA 0.243 4.583 4.340 0.001 0.000 0.231 80 L C 0.619 177.308 176.870 -0.302 0.000 1.153 80 L CA -0.222 54.421 54.840 -0.328 0.000 0.933 80 L CB -0.248 41.694 42.059 -0.195 0.000 1.175 80 L HN 0.192 nan 8.230 nan 0.000 0.473 81 N N -0.211 118.417 118.700 -0.120 0.000 2.818 81 N HA -0.182 4.558 4.740 0.001 0.000 0.250 81 N C -0.614 174.721 175.510 -0.292 0.000 1.108 81 N CA 0.635 53.587 53.050 -0.163 0.000 0.745 81 N CB -1.161 37.240 38.487 -0.143 0.000 1.104 81 N HN 0.165 nan 8.380 nan 0.000 0.557 82 F N 1.073 121.012 119.950 -0.018 0.000 2.420 82 F HA 0.315 4.844 4.527 0.004 0.000 0.342 82 F C 1.041 176.835 175.800 -0.010 0.000 1.113 82 F CA -0.866 57.121 58.000 -0.022 0.000 1.059 82 F CB 0.928 39.908 39.000 -0.033 0.000 1.128 82 F HN -0.136 nan 8.300 nan 0.000 0.475 83 N N 4.514 123.315 118.700 0.168 0.000 2.558 83 N HA 0.169 4.910 4.740 0.001 0.000 0.233 83 N C 0.743 176.313 175.510 0.101 0.000 1.038 83 N CA 0.004 53.115 53.050 0.103 0.000 0.934 83 N CB 0.577 39.102 38.487 0.064 0.000 1.175 83 N HN 0.712 nan 8.380 nan 0.000 0.512 84 L N 1.710 122.988 121.223 0.092 0.000 2.349 84 L HA -0.145 4.196 4.340 0.001 0.000 0.220 84 L C 2.107 179.009 176.870 0.053 0.000 1.130 84 L CA 1.290 56.172 54.840 0.071 0.000 0.791 84 L CB -0.690 41.415 42.059 0.076 0.000 0.918 84 L HN 0.560 nan 8.230 nan 0.000 0.444 85 T N -4.189 110.394 114.554 0.048 0.000 3.085 85 T HA -0.045 4.305 4.350 0.001 0.000 0.263 85 T C 1.412 176.131 174.700 0.032 0.000 1.127 85 T CA 0.764 62.885 62.100 0.036 0.000 1.103 85 T CB 0.108 68.994 68.868 0.031 0.000 0.921 85 T HN 0.446 nan 8.240 nan 0.000 0.510 86 E N -0.161 120.063 120.200 0.039 0.000 2.364 86 E HA 0.422 4.773 4.350 0.001 0.000 0.203 86 E C 0.149 176.770 176.600 0.035 0.000 0.888 86 E CA -0.149 56.272 56.400 0.034 0.000 0.989 86 E CB 0.909 30.631 29.700 0.035 0.000 0.985 86 E HN 0.450 nan 8.360 nan 0.000 0.499 87 I N 2.557 123.155 120.570 0.047 0.000 2.389 87 I HA 0.311 4.482 4.170 0.001 0.000 0.288 87 I C -2.722 173.402 176.117 0.012 0.000 0.999 87 I CA -2.878 58.444 61.300 0.037 0.000 1.129 87 I CB 1.592 39.635 38.000 0.071 0.000 1.288 87 I HN -0.220 nan 8.210 nan 0.000 0.444 88 P HA 0.122 nan 4.420 nan 0.000 0.268 88 P C 0.148 177.430 177.300 -0.029 0.000 1.204 88 P CA -0.000 63.098 63.100 -0.002 0.000 0.768 88 P CB 0.616 32.318 31.700 0.003 0.000 0.842 89 E N 2.202 122.394 120.200 -0.014 0.000 2.130 89 E HA -0.263 4.087 4.350 0.001 0.000 0.196 89 E C 1.902 178.501 176.600 -0.002 0.000 0.998 89 E CA 1.659 58.038 56.400 -0.035 0.000 0.806 89 E CB -0.313 29.435 29.700 0.081 0.000 0.738 89 E HN 0.542 nan 8.360 nan 0.000 0.459 90 A N 1.206 124.061 122.820 0.057 0.000 1.978 90 A HA -0.254 4.066 4.320 0.001 0.000 0.220 90 A C 2.023 179.633 177.584 0.042 0.000 1.170 90 A CA 1.345 53.435 52.037 0.089 0.000 0.636 90 A CB -0.346 18.689 19.000 0.058 0.000 0.810 90 A HN 0.216 nan 8.150 nan 0.000 0.448 91 Q N -0.655 119.138 119.800 -0.012 0.000 2.172 91 Q HA -0.047 4.293 4.340 0.001 0.000 0.200 91 Q C 2.043 177.992 176.000 -0.085 0.000 0.964 91 Q CA 1.187 56.969 55.803 -0.034 0.000 0.855 91 Q CB -0.263 28.456 28.738 -0.033 0.000 0.918 91 Q HN 0.762 nan 8.270 nan 0.000 0.444 92 I N 0.471 120.928 120.570 -0.188 0.000 2.142 92 I HA -0.287 3.883 4.170 0.001 0.000 0.240 92 I C 2.285 178.316 176.117 -0.144 0.000 1.078 92 I CA 1.168 62.249 61.300 -0.365 0.000 1.343 92 I CB -0.484 37.077 38.000 -0.731 0.000 1.046 92 I HN 0.264 nan 8.210 nan 0.000 0.405 93 H N 1.005 120.128 119.070 0.088 0.000 2.389 93 H HA -0.154 4.404 4.556 0.003 0.000 0.299 93 H C 2.181 177.561 175.328 0.087 0.000 1.081 93 H CA 1.876 58.032 56.048 0.180 0.000 1.345 93 H CB -0.328 29.522 29.762 0.147 0.000 1.393 93 H HN 0.523 nan 8.280 nan 0.000 0.520 94 E N 0.564 120.841 120.200 0.130 0.000 2.153 94 E HA -0.085 4.265 4.350 0.001 0.000 0.194 94 E C 2.510 179.117 176.600 0.011 0.000 0.988 94 E CA 1.142 57.573 56.400 0.051 0.000 0.811 94 E CB -0.827 28.890 29.700 0.029 0.000 0.746 94 E HN 0.324 nan 8.360 nan 0.000 0.466 95 G N -0.012 108.771 108.800 -0.029 0.000 2.421 95 G HA2 -0.241 3.720 3.960 0.001 0.000 0.216 95 G HA3 -0.241 3.720 3.960 0.001 0.000 0.216 95 G C 1.201 176.013 174.900 -0.146 0.000 1.171 95 G CA 0.874 45.901 45.100 -0.122 0.000 0.775 95 G HN 0.268 nan 8.290 nan 0.000 0.543 96 F N 0.650 120.591 119.950 -0.014 0.000 2.186 96 F HA 0.031 4.558 4.527 0.001 0.000 0.299 96 F C 3.006 178.734 175.800 -0.120 0.000 1.090 96 F CA 1.320 59.306 58.000 -0.025 0.000 1.307 96 F CB -0.332 38.702 39.000 0.056 0.000 1.019 96 F HN 0.107 nan 8.300 nan 0.000 0.489 97 Q N 0.115 119.924 119.800 0.015 0.000 2.020 97 Q HA -0.188 4.152 4.340 0.001 0.000 0.202 97 Q C 2.260 178.243 176.000 -0.029 0.000 0.982 97 Q CA 1.674 57.440 55.803 -0.062 0.000 0.838 97 Q CB -0.230 28.478 28.738 -0.049 0.000 0.899 97 Q HN 0.156 nan 8.270 nan 0.000 0.423 98 E N 0.123 120.313 120.200 -0.015 0.000 2.118 98 E HA -0.183 4.167 4.350 0.001 0.000 0.195 98 E C 1.950 178.543 176.600 -0.010 0.000 0.992 98 E CA 0.655 57.048 56.400 -0.010 0.000 0.804 98 E CB -0.258 29.439 29.700 -0.004 0.000 0.741 98 E HN 0.243 nan 8.360 nan 0.000 0.458 99 L N 0.611 121.827 121.223 -0.011 0.000 2.017 99 L HA -0.152 4.188 4.340 0.001 0.000 0.208 99 L C 2.276 179.147 176.870 0.001 0.000 1.073 99 L CA 1.389 56.228 54.840 -0.003 0.000 0.745 99 L CB -0.376 41.686 42.059 0.005 0.000 0.894 99 L HN 0.080 nan 8.230 nan 0.000 0.432 100 L N -0.984 120.239 121.223 0.001 0.000 2.056 100 L HA -0.175 4.166 4.340 0.001 0.000 0.207 100 L C 2.623 179.449 176.870 -0.074 0.000 1.078 100 L CA 1.202 56.023 54.840 -0.032 0.000 0.749 100 L CB -0.555 41.475 42.059 -0.048 0.000 0.901 100 L HN 0.209 nan 8.230 nan 0.000 0.433 101 R N -0.797 119.661 120.500 -0.071 0.000 2.293 101 R HA -0.098 4.242 4.340 0.001 0.000 0.219 101 R C 1.971 178.244 176.300 -0.044 0.000 1.091 101 R CA 1.312 57.369 56.100 -0.072 0.000 1.004 101 R CB -0.302 29.971 30.300 -0.044 0.000 0.865 101 R HN 0.355 nan 8.270 nan 0.000 0.469 102 T N 0.295 114.831 114.554 -0.029 0.000 3.004 102 T HA 0.128 4.478 4.350 0.001 0.000 0.243 102 T C 1.672 176.363 174.700 -0.014 0.000 1.020 102 T CA 0.260 62.351 62.100 -0.015 0.000 1.145 102 T CB 0.138 69.003 68.868 -0.005 0.000 0.876 102 T HN 0.072 nan 8.240 nan 0.000 0.449 103 L N 2.206 123.418 121.223 -0.018 0.000 2.191 103 L HA 0.007 4.348 4.340 0.001 0.000 0.212 103 L C 0.779 177.646 176.870 -0.005 0.000 1.103 103 L CA 0.828 55.660 54.840 -0.013 0.000 0.769 103 L CB -0.469 41.581 42.059 -0.016 0.000 0.908 103 L HN 0.454 nan 8.230 nan 0.000 0.438 104 N N -0.404 118.282 118.700 -0.023 0.000 2.762 104 N HA 0.211 4.951 4.740 0.001 0.000 0.252 104 N C -0.921 174.573 175.510 -0.028 0.000 1.269 104 N CA -0.274 52.765 53.050 -0.018 0.000 0.799 104 N CB 1.200 39.670 38.487 -0.029 0.000 1.173 104 N HN 0.212 nan 8.380 nan 0.000 0.516 105 Q N 0.871 120.666 119.800 -0.008 0.000 2.345 105 Q HA 0.420 4.760 4.340 0.001 0.000 0.268 105 Q C -1.722 174.283 176.000 0.007 0.000 1.054 105 Q CA -1.680 54.119 55.803 -0.006 0.000 0.835 105 Q CB 2.467 31.202 28.738 -0.004 0.000 1.339 105 Q HN 0.194 nan 8.270 nan 0.000 0.447 106 P HA -0.216 nan 4.420 nan 0.000 0.203 106 P C 0.536 177.848 177.300 0.019 0.000 0.967 106 P CA 1.010 64.118 63.100 0.015 0.000 0.946 106 P CB 0.146 31.854 31.700 0.013 0.000 0.690 107 D N -1.115 119.295 120.400 0.017 0.000 2.362 107 D HA -0.075 4.565 4.640 0.001 0.000 0.215 107 D C -0.352 175.962 176.300 0.023 0.000 0.978 107 D CA 0.897 54.909 54.000 0.019 0.000 0.921 107 D CB -0.268 40.541 40.800 0.016 0.000 0.895 107 D HN 0.061 nan 8.370 nan 0.000 0.494 108 S N -0.468 115.246 115.700 0.024 0.000 2.561 108 S HA 0.407 4.878 4.470 0.001 0.000 0.303 108 S C -0.983 173.639 174.600 0.037 0.000 1.110 108 S CA -0.953 57.265 58.200 0.030 0.000 1.034 108 S CB 1.835 65.051 63.200 0.026 0.000 1.010 108 S HN 0.191 nan 8.310 nan 0.000 0.482 109 Q N 1.901 121.728 119.800 0.046 0.000 2.274 109 Q HA 0.473 4.813 4.340 0.001 0.000 0.268 109 Q C -0.356 175.687 176.000 0.073 0.000 1.015 109 Q CA -0.912 54.925 55.803 0.057 0.000 0.775 109 Q CB 1.248 30.019 28.738 0.054 0.000 1.256 109 Q HN 0.501 nan 8.270 nan 0.000 0.442 110 L N 2.220 123.499 121.223 0.093 0.000 2.599 110 L HA 0.046 4.387 4.340 0.001 0.000 0.230 110 L C 0.035 177.005 176.870 0.168 0.000 1.141 110 L CA 1.157 56.079 54.840 0.136 0.000 0.877 110 L CB -0.403 41.738 42.059 0.137 0.000 1.009 110 L HN 0.942 nan 8.230 nan 0.000 0.447 111 Q N -0.235 119.638 119.800 0.122 0.000 2.456 111 Q HA -0.195 4.146 4.340 0.001 0.000 0.325 111 Q C -1.162 174.957 176.000 0.199 0.000 1.453 111 Q CA 0.868 56.736 55.803 0.108 0.000 0.848 111 Q CB -1.597 27.148 28.738 0.011 0.000 1.123 111 Q HN 0.359 nan 8.270 nan 0.000 0.374 112 L N 0.900 122.260 121.223 0.227 0.000 2.298 112 L HA 0.573 4.913 4.340 0.001 0.000 0.284 112 L C -0.395 176.630 176.870 0.259 0.000 1.013 112 L CA 0.168 55.185 54.840 0.294 0.000 0.824 112 L CB 1.758 43.950 42.059 0.222 0.000 1.221 112 L HN 0.220 nan 8.230 nan 0.000 0.418 113 T N 3.508 118.268 114.554 0.342 0.000 2.811 113 T HA 0.423 4.773 4.350 0.001 0.000 0.309 113 T C -0.093 174.818 174.700 0.352 0.000 1.005 113 T CA -0.058 62.250 62.100 0.347 0.000 0.955 113 T CB 0.364 69.481 68.868 0.415 0.000 0.970 113 T HN 0.674 nan 8.240 nan 0.000 0.496 114 T N 1.998 116.663 114.554 0.184 0.000 2.901 114 T HA 0.837 5.187 4.350 0.001 0.000 0.293 114 T C -0.640 173.855 174.700 -0.342 0.000 1.084 114 T CA -0.404 61.664 62.100 -0.053 0.000 1.008 114 T CB 1.654 70.538 68.868 0.026 0.000 1.170 114 T HN 0.755 nan 8.240 nan 0.000 0.509 115 G N 1.669 109.960 108.800 -0.847 0.000 2.632 115 G HA2 0.503 4.463 3.960 0.001 0.000 0.292 115 G HA3 0.503 4.463 3.960 0.001 0.000 0.292 115 G C -2.003 172.739 174.900 -0.262 0.000 1.465 115 G CA -0.772 43.985 45.100 -0.571 0.000 0.824 115 G HN 0.781 nan 8.290 nan 0.000 0.509 116 N N -0.645 118.135 118.700 0.134 0.000 2.430 116 N HA 0.646 5.386 4.740 0.001 0.000 0.290 116 N C -0.157 175.532 175.510 0.299 0.000 1.063 116 N CA -0.143 53.044 53.050 0.230 0.000 0.883 116 N CB 1.978 40.544 38.487 0.132 0.000 1.465 116 N HN 0.828 nan 8.380 nan 0.000 0.493 117 G N 2.589 111.604 108.800 0.358 0.000 2.470 117 G HA2 0.558 4.518 3.960 0.001 0.000 0.320 117 G HA3 0.558 4.518 3.960 0.001 0.000 0.320 117 G C -1.018 173.905 174.900 0.037 0.000 1.245 117 G CA -0.487 44.642 45.100 0.048 0.000 0.935 117 G HN 0.489 nan 8.290 nan 0.000 0.476 118 L N 1.938 123.053 121.223 -0.179 0.000 2.287 118 L HA 0.489 4.829 4.340 0.001 0.000 0.287 118 L C -0.973 175.813 176.870 -0.140 0.000 1.022 118 L CA -0.630 54.242 54.840 0.053 0.000 0.814 118 L CB 1.418 43.559 42.059 0.137 0.000 1.217 118 L HN 0.387 nan 8.230 nan 0.000 0.420 119 F N 4.452 124.631 119.950 0.381 0.000 2.403 119 F HA 0.499 5.026 4.527 0.000 0.000 0.355 119 F C -0.120 176.003 175.800 0.538 0.000 1.119 119 F CA -0.358 57.863 58.000 0.370 0.000 1.007 119 F CB 1.284 40.475 39.000 0.319 0.000 1.194 119 F HN 0.210 nan 8.300 nan 0.000 0.443 120 L N 2.230 123.715 121.223 0.437 0.000 2.329 120 L HA 0.440 4.780 4.340 0.001 0.000 0.279 120 L C 0.479 177.532 176.870 0.304 0.000 1.014 120 L CA -0.970 54.082 54.840 0.353 0.000 0.814 120 L CB 1.992 44.078 42.059 0.045 0.000 1.257 120 L HN 0.558 nan 8.230 nan 0.000 0.424 121 S N 2.359 118.306 115.700 0.411 0.000 2.563 121 S HA -0.021 4.449 4.470 0.001 0.000 0.294 121 S C 0.144 174.821 174.600 0.129 0.000 1.279 121 S CA -0.432 57.962 58.200 0.323 0.000 1.069 121 S CB 0.115 63.512 63.200 0.328 0.000 0.828 121 S HN 0.625 nan 8.310 nan 0.000 0.497 122 E N 3.411 123.654 120.200 0.071 0.000 2.390 122 E HA 0.458 4.808 4.350 0.001 0.000 0.261 122 E C 1.126 177.752 176.600 0.043 0.000 1.076 122 E CA -0.256 56.167 56.400 0.038 0.000 0.905 122 E CB 0.205 29.915 29.700 0.016 0.000 0.984 122 E HN 1.007 nan 8.360 nan 0.000 0.427 123 G N 1.829 110.645 108.800 0.026 0.000 2.195 123 G HA2 -0.256 3.704 3.960 0.001 0.000 0.246 123 G HA3 -0.256 3.704 3.960 0.001 0.000 0.246 123 G C 0.052 174.961 174.900 0.016 0.000 0.984 123 G CA 0.075 45.188 45.100 0.022 0.000 0.633 123 G HN 0.444 nan 8.290 nan 0.000 0.525 124 L N 0.955 122.187 121.223 0.015 0.000 2.305 124 L HA 0.410 4.751 4.340 0.001 0.000 0.281 124 L C 0.854 177.713 176.870 -0.018 0.000 1.085 124 L CA -0.583 54.255 54.840 -0.003 0.000 0.813 124 L CB 1.385 43.438 42.059 -0.009 0.000 1.157 124 L HN 0.104 nan 8.230 nan 0.000 0.436 125 K N 5.366 125.750 120.400 -0.027 0.000 2.219 125 K HA 0.340 4.660 4.320 0.001 0.000 0.280 125 K C -0.693 175.881 176.600 -0.044 0.000 1.104 125 K CA -0.435 55.834 56.287 -0.030 0.000 0.925 125 K CB 0.200 32.683 32.500 -0.027 0.000 1.261 125 K HN 0.508 nan 8.250 nan 0.000 0.445 126 L N 3.644 124.843 121.223 -0.040 0.000 2.395 126 L HA 0.227 4.567 4.340 0.001 0.000 0.269 126 L C 0.096 176.951 176.870 -0.025 0.000 1.133 126 L CA -1.014 53.802 54.840 -0.040 0.000 0.812 126 L CB 1.296 43.341 42.059 -0.023 0.000 1.125 126 L HN 0.221 nan 8.230 nan 0.000 0.452 127 V N 2.426 122.331 119.914 -0.015 0.000 2.432 127 V HA -0.002 4.119 4.120 0.001 0.000 0.271 127 V C 0.894 177.006 176.094 0.030 0.000 1.046 127 V CA -0.225 62.073 62.300 -0.002 0.000 0.945 127 V CB 0.986 32.799 31.823 -0.016 0.000 0.992 127 V HN 0.756 nan 8.190 nan 0.000 0.471 128 D N 3.525 123.924 120.400 -0.001 0.000 2.127 128 D HA -0.227 4.413 4.640 0.001 0.000 0.190 128 D C 1.975 178.266 176.300 -0.015 0.000 1.000 128 D CA 1.711 55.701 54.000 -0.016 0.000 0.839 128 D CB 0.214 40.998 40.800 -0.027 0.000 0.955 128 D HN 0.554 nan 8.370 nan 0.000 0.446 129 K N 0.372 120.771 120.400 -0.002 0.000 2.059 129 K HA -0.208 4.113 4.320 0.001 0.000 0.212 129 K C 2.010 178.617 176.600 0.013 0.000 1.050 129 K CA 0.965 57.249 56.287 -0.004 0.000 0.927 129 K CB -0.772 31.730 32.500 0.003 0.000 0.714 129 K HN 0.082 nan 8.250 nan 0.000 0.447 130 F N 0.910 120.801 119.950 -0.099 0.000 2.069 130 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 130 F C 1.588 177.316 175.800 -0.121 0.000 1.113 130 F CA 1.639 59.569 58.000 -0.115 0.000 1.214 130 F CB -0.415 38.507 39.000 -0.131 0.000 0.978 130 F HN 0.003 nan 8.300 nan 0.000 0.474 131 L N -0.142 120.943 121.223 -0.230 0.000 2.127 131 L HA -0.211 4.130 4.340 0.001 0.000 0.211 131 L C 2.289 178.980 176.870 -0.299 0.000 1.089 131 L CA 1.653 56.294 54.840 -0.331 0.000 0.757 131 L CB -0.878 41.079 42.059 -0.170 0.000 0.899 131 L HN 0.256 nan 8.230 nan 0.000 0.434 132 E N 0.045 120.121 120.200 -0.206 0.000 2.047 132 E HA -0.187 4.164 4.350 0.001 0.000 0.191 132 E C 1.805 178.288 176.600 -0.197 0.000 0.987 132 E CA 1.143 57.441 56.400 -0.171 0.000 0.799 132 E CB -0.019 29.614 29.700 -0.112 0.000 0.752 132 E HN 0.433 nan 8.360 nan 0.000 0.449 133 D N 0.593 120.874 120.400 -0.199 0.000 2.092 133 D HA -0.155 4.485 4.640 0.001 0.000 0.193 133 D C 2.178 178.368 176.300 -0.185 0.000 0.994 133 D CA 1.004 54.909 54.000 -0.158 0.000 0.828 133 D CB -0.450 40.273 40.800 -0.128 0.000 0.963 133 D HN -0.001 nan 8.370 nan 0.000 0.450 134 V N 1.268 120.946 119.914 -0.393 0.000 2.231 134 V HA -0.301 3.819 4.120 0.001 0.000 0.248 134 V C 2.363 178.324 176.094 -0.223 0.000 1.054 134 V CA 2.073 64.145 62.300 -0.380 0.000 1.015 134 V CB -0.411 31.030 31.823 -0.637 0.000 0.638 134 V HN 0.201 nan 8.190 nan 0.000 0.444 135 K N -0.396 119.845 120.400 -0.264 0.000 2.116 135 K HA -0.129 4.191 4.320 0.001 0.000 0.203 135 K C 2.252 178.660 176.600 -0.320 0.000 1.052 135 K CA 1.256 57.403 56.287 -0.234 0.000 0.952 135 K CB -0.125 32.240 32.500 -0.223 0.000 0.729 135 K HN 0.373 nan 8.250 nan 0.000 0.446 136 K N 1.003 121.214 120.400 -0.315 0.000 2.044 136 K HA 0.027 4.347 4.320 0.001 0.000 0.204 136 K C 2.024 178.326 176.600 -0.496 0.000 1.045 136 K CA 0.571 56.617 56.287 -0.401 0.000 0.951 136 K CB 0.153 32.519 32.500 -0.223 0.000 0.738 136 K HN -0.020 nan 8.250 nan 0.000 0.443 137 L N -0.391 120.696 121.223 -0.227 0.000 2.034 137 L HA -0.090 4.250 4.340 0.001 0.000 0.203 137 L C 1.658 178.488 176.870 -0.066 0.000 1.074 137 L CA 1.124 55.894 54.840 -0.117 0.000 0.748 137 L CB -0.225 41.823 42.059 -0.018 0.000 0.905 137 L HN 0.216 nan 8.230 nan 0.000 0.439 138 Y N -1.256 119.023 120.300 -0.036 0.000 2.461 138 Y HA 0.080 4.630 4.550 -0.001 0.000 0.277 138 Y C 0.216 176.195 175.900 0.131 0.000 1.182 138 Y CA -0.674 57.464 58.100 0.063 0.000 1.276 138 Y CB -0.738 37.701 38.460 -0.035 0.000 1.087 138 Y HN 0.208 nan 8.280 nan 0.000 0.519 139 H N -0.926 118.168 119.070 0.040 0.000 2.355 139 H HA -0.198 4.359 4.556 0.000 0.000 0.324 139 H C 0.486 175.830 175.328 0.026 0.000 1.015 139 H CA 0.571 56.627 56.048 0.013 0.000 1.101 139 H CB -1.336 28.433 29.762 0.012 0.000 1.555 139 H HN 0.164 nan 8.280 nan 0.000 0.386 140 S N -0.530 115.205 115.700 0.059 0.000 2.786 140 S HA 0.591 5.061 4.470 0.001 0.000 0.307 140 S C 0.026 174.584 174.600 -0.069 0.000 1.121 140 S CA -0.967 57.250 58.200 0.028 0.000 0.975 140 S CB 1.451 64.651 63.200 0.000 0.000 1.220 140 S HN 0.460 nan 8.310 nan 0.000 0.550 141 E N 0.256 120.398 120.200 -0.096 0.000 2.210 141 E HA 0.645 4.996 4.350 0.001 0.000 0.266 141 E C -1.354 174.933 176.600 -0.523 0.000 0.883 141 E CA -0.781 55.431 56.400 -0.314 0.000 0.761 141 E CB 1.895 31.513 29.700 -0.136 0.000 1.156 141 E HN 0.564 nan 8.360 nan 0.000 0.412 142 A N 3.219 125.590 122.820 -0.747 0.000 2.343 142 A HA 0.761 5.081 4.320 0.001 0.000 0.316 142 A C -1.404 175.650 177.584 -0.884 0.000 1.104 142 A CA -0.485 51.176 52.037 -0.626 0.000 0.768 142 A CB 0.438 19.210 19.000 -0.379 0.000 1.213 142 A HN 0.491 nan 8.150 nan 0.000 0.456 143 F N -0.127 119.589 119.950 -0.391 0.000 2.603 143 F HA 0.677 5.204 4.527 0.000 0.000 0.317 143 F C 0.599 176.318 175.800 -0.136 0.000 1.066 143 F CA -0.464 57.364 58.000 -0.286 0.000 0.941 143 F CB 2.637 41.395 39.000 -0.404 0.000 1.291 143 F HN 0.450 nan 8.300 nan 0.000 0.472 144 T N 2.461 117.099 114.554 0.140 0.000 2.794 144 T HA 0.730 5.080 4.350 0.001 0.000 0.280 144 T C -1.189 173.545 174.700 0.057 0.000 0.987 144 T CA -0.426 61.722 62.100 0.081 0.000 0.993 144 T CB 0.607 69.499 68.868 0.040 0.000 0.939 144 T HN 0.660 nan 8.240 nan 0.000 0.449 145 V N 2.803 122.691 119.914 -0.044 0.000 3.130 145 V HA 0.709 4.830 4.120 0.001 0.000 0.310 145 V C -0.534 175.400 176.094 -0.266 0.000 1.158 145 V CA -1.403 60.787 62.300 -0.184 0.000 1.029 145 V CB 2.052 33.682 31.823 -0.321 0.000 1.057 145 V HN 0.788 nan 8.190 nan 0.000 0.436 146 N N 1.045 119.617 118.700 -0.214 0.000 2.521 146 N HA 0.372 5.112 4.740 0.001 0.000 0.236 146 N C -0.100 175.339 175.510 -0.118 0.000 1.067 146 N CA -0.615 52.367 53.050 -0.113 0.000 0.939 146 N CB 0.046 38.507 38.487 -0.042 0.000 1.201 146 N HN 0.658 nan 8.380 nan 0.000 0.511 147 F N 1.204 121.188 119.950 0.057 0.000 2.699 147 F HA 0.197 4.724 4.527 0.001 0.000 0.298 147 F C 2.211 178.033 175.800 0.036 0.000 1.154 147 F CA 0.390 58.420 58.000 0.050 0.000 1.457 147 F CB -0.282 38.758 39.000 0.067 0.000 1.106 147 F HN 0.623 nan 8.300 nan 0.000 0.585 148 G N -1.252 107.648 108.800 0.167 0.000 2.448 148 G HA2 -0.209 3.752 3.960 0.001 0.000 0.219 148 G HA3 -0.209 3.752 3.960 0.001 0.000 0.219 148 G C 0.482 175.432 174.900 0.083 0.000 1.127 148 G CA 0.617 45.782 45.100 0.108 0.000 0.766 148 G HN 0.216 nan 8.290 nan 0.000 0.552 149 D N -0.110 120.333 120.400 0.071 0.000 2.479 149 D HA 0.286 4.926 4.640 0.001 0.000 0.247 149 D C 1.441 177.780 176.300 0.066 0.000 1.119 149 D CA -0.258 53.771 54.000 0.048 0.000 0.922 149 D CB 0.606 41.417 40.800 0.018 0.000 1.014 149 D HN -0.065 nan 8.370 nan 0.000 0.510 150 T N 1.892 116.501 114.554 0.091 0.000 2.635 150 T HA -0.177 4.174 4.350 0.001 0.000 0.267 150 T C 1.557 176.298 174.700 0.067 0.000 1.040 150 T CA 1.069 63.235 62.100 0.111 0.000 1.156 150 T CB 0.173 69.093 68.868 0.086 0.000 0.863 150 T HN 0.412 nan 8.240 nan 0.000 0.430 151 E N 0.641 120.863 120.200 0.036 0.000 2.077 151 E HA -0.150 4.201 4.350 0.001 0.000 0.193 151 E C 2.322 178.922 176.600 -0.001 0.000 0.989 151 E CA 1.120 57.529 56.400 0.015 0.000 0.800 151 E CB -0.267 29.438 29.700 0.008 0.000 0.746 151 E HN 0.463 nan 8.360 nan 0.000 0.452 152 E N 0.877 121.074 120.200 -0.005 0.000 2.106 152 E HA -0.067 4.283 4.350 0.001 0.000 0.192 152 E C 1.845 178.412 176.600 -0.055 0.000 0.984 152 E CA 1.195 57.578 56.400 -0.028 0.000 0.806 152 E CB -0.224 29.460 29.700 -0.026 0.000 0.750 152 E HN 0.191 nan 8.360 nan 0.000 0.458 153 A N 0.943 123.733 122.820 -0.051 0.000 1.902 153 A HA -0.226 4.094 4.320 0.001 0.000 0.217 153 A C 2.189 179.715 177.584 -0.097 0.000 1.181 153 A CA 1.948 53.918 52.037 -0.112 0.000 0.623 153 A CB -0.591 18.388 19.000 -0.036 0.000 0.818 153 A HN 0.259 nan 8.150 nan 0.000 0.443 154 K N -0.063 120.321 120.400 -0.027 0.000 2.057 154 K HA -0.200 4.120 4.320 0.001 0.000 0.207 154 K C 2.150 178.704 176.600 -0.077 0.000 1.049 154 K CA 1.841 58.103 56.287 -0.042 0.000 0.931 154 K CB -0.176 32.321 32.500 -0.005 0.000 0.714 154 K HN 0.452 nan 8.250 nan 0.000 0.440 155 K N 0.647 121.010 120.400 -0.062 0.000 2.026 155 K HA -0.210 4.110 4.320 0.001 0.000 0.208 155 K C 2.100 178.652 176.600 -0.080 0.000 1.048 155 K CA 1.836 58.088 56.287 -0.059 0.000 0.929 155 K CB 0.002 32.476 32.500 -0.044 0.000 0.713 155 K HN 0.224 nan 8.250 nan 0.000 0.439 156 Q N 0.336 120.071 119.800 -0.107 0.000 2.084 156 Q HA -0.140 4.200 4.340 0.001 0.000 0.202 156 Q C 2.208 178.105 176.000 -0.172 0.000 0.978 156 Q CA 1.873 57.605 55.803 -0.118 0.000 0.844 156 Q CB -0.143 28.522 28.738 -0.121 0.000 0.898 156 Q HN 0.384 nan 8.270 nan 0.000 0.426 157 I N 1.056 121.410 120.570 -0.360 0.000 2.142 157 I HA -0.296 3.875 4.170 0.001 0.000 0.240 157 I C 1.765 177.815 176.117 -0.111 0.000 1.078 157 I CA 0.927 61.897 61.300 -0.550 0.000 1.343 157 I CB -0.320 37.299 38.000 -0.634 0.000 1.046 157 I HN 0.240 nan 8.210 nan 0.000 0.405 158 N N 0.759 119.408 118.700 -0.086 0.000 2.166 158 N HA -0.171 4.570 4.740 0.001 0.000 0.186 158 N C 1.404 176.896 175.510 -0.031 0.000 1.019 158 N CA 1.268 54.296 53.050 -0.036 0.000 0.856 158 N CB -0.484 37.977 38.487 -0.043 0.000 0.993 158 N HN 0.318 nan 8.380 nan 0.000 0.426 159 D N -0.266 120.118 120.400 -0.027 0.000 2.178 159 D HA -0.151 4.490 4.640 0.001 0.000 0.201 159 D C 1.777 178.075 176.300 -0.003 0.000 0.980 159 D CA 0.543 54.527 54.000 -0.026 0.000 0.842 159 D CB -0.329 40.456 40.800 -0.025 0.000 0.948 159 D HN 0.365 nan 8.370 nan 0.000 0.472 160 Y N 1.552 121.814 120.300 -0.063 0.000 2.145 160 Y HA -0.224 4.326 4.550 0.000 0.000 0.286 160 Y C 2.088 177.974 175.900 -0.024 0.000 1.145 160 Y CA 1.237 59.336 58.100 -0.002 0.000 1.148 160 Y CB -0.455 38.091 38.460 0.143 0.000 0.981 160 Y HN -0.190 nan 8.280 nan 0.000 0.507 161 V N 0.994 120.768 119.914 -0.234 0.000 2.261 161 V HA -0.296 3.824 4.120 0.001 0.000 0.246 161 V C 2.399 178.193 176.094 -0.500 0.000 1.047 161 V CA 2.255 64.232 62.300 -0.537 0.000 1.015 161 V CB -0.900 30.776 31.823 -0.245 0.000 0.642 161 V HN 0.494 nan 8.190 nan 0.000 0.446 162 E N 0.488 120.526 120.200 -0.270 0.000 2.065 162 E HA -0.337 4.013 4.350 0.001 0.000 0.201 162 E C 2.358 178.828 176.600 -0.216 0.000 1.016 162 E CA 2.110 58.382 56.400 -0.213 0.000 0.818 162 E CB -0.199 29.423 29.700 -0.131 0.000 0.749 162 E HN 0.552 nan 8.360 nan 0.000 0.453 163 K N -0.404 119.883 120.400 -0.189 0.000 2.097 163 K HA -0.124 4.196 4.320 0.001 0.000 0.206 163 K C 2.066 178.566 176.600 -0.166 0.000 1.049 163 K CA 1.484 57.687 56.287 -0.140 0.000 0.933 163 K CB -0.329 32.121 32.500 -0.083 0.000 0.717 163 K HN 0.223 nan 8.250 nan 0.000 0.442 164 G N 0.054 108.677 108.800 -0.295 0.000 2.448 164 G HA2 -0.182 3.778 3.960 0.001 0.000 0.218 164 G HA3 -0.182 3.778 3.960 0.001 0.000 0.218 164 G C 1.271 176.080 174.900 -0.151 0.000 1.135 164 G CA 1.218 46.188 45.100 -0.217 0.000 0.784 164 G HN 0.534 nan 8.290 nan 0.000 0.543 165 T N -2.698 111.686 114.554 -0.284 0.000 3.176 165 T HA 0.232 4.582 4.350 0.001 0.000 0.263 165 T C 0.862 175.434 174.700 -0.214 0.000 1.021 165 T CA 0.047 62.019 62.100 -0.213 0.000 0.905 165 T CB 0.209 68.909 68.868 -0.280 0.000 1.057 165 T HN 0.122 nan 8.240 nan 0.000 0.558 166 Q N 0.514 120.219 119.800 -0.158 0.000 2.435 166 Q HA -0.234 4.106 4.340 0.001 0.000 0.286 166 Q C 1.225 177.134 176.000 -0.152 0.000 1.229 166 Q CA 1.279 57.004 55.803 -0.131 0.000 0.884 166 Q CB -2.288 26.387 28.738 -0.106 0.000 1.245 166 Q HN 1.325 nan 8.270 nan 0.000 0.488 167 G N -0.901 107.799 108.800 -0.167 0.000 2.157 167 G HA2 -0.353 3.607 3.960 0.001 0.000 0.239 167 G HA3 -0.353 3.607 3.960 0.001 0.000 0.239 167 G C 0.675 175.469 174.900 -0.177 0.000 0.982 167 G CA 0.701 45.710 45.100 -0.151 0.000 0.650 167 G HN 0.327 nan 8.290 nan 0.000 0.527 168 K N 0.237 120.488 120.400 -0.248 0.000 2.186 168 K HA 0.361 4.682 4.320 0.001 0.000 0.202 168 K C 0.921 177.420 176.600 -0.169 0.000 1.052 168 K CA 0.725 56.845 56.287 -0.277 0.000 0.965 168 K CB 0.007 32.165 32.500 -0.569 0.000 0.746 168 K HN 0.482 nan 8.250 nan 0.000 0.457 169 I N 2.199 122.671 120.570 -0.164 0.000 2.390 169 I HA 0.210 4.380 4.170 0.001 0.000 0.283 169 I C -0.892 175.157 176.117 -0.114 0.000 1.016 169 I CA -1.164 60.072 61.300 -0.107 0.000 1.151 169 I CB 1.673 39.615 38.000 -0.097 0.000 1.293 169 I HN -0.206 nan 8.210 nan 0.000 0.458 170 V N 1.246 121.113 119.914 -0.078 0.000 2.815 170 V HA 0.584 4.704 4.120 0.001 0.000 0.314 170 V C 0.054 176.120 176.094 -0.046 0.000 1.064 170 V CA -0.717 61.541 62.300 -0.069 0.000 0.952 170 V CB 1.652 33.437 31.823 -0.064 0.000 1.020 170 V HN 0.782 nan 8.190 nan 0.000 0.439 171 D N 0.411 120.786 120.400 -0.042 0.000 2.704 171 D HA -0.202 4.438 4.640 0.001 0.000 0.232 171 D C 0.410 176.700 176.300 -0.017 0.000 1.183 171 D CA 1.157 55.140 54.000 -0.028 0.000 0.647 171 D CB -0.475 40.310 40.800 -0.026 0.000 1.013 171 D HN 0.845 nan 8.370 nan 0.000 0.415 172 L N 0.028 121.245 121.223 -0.011 0.000 1.961 172 L HA 0.025 4.365 4.340 0.001 0.000 0.210 172 L C 0.740 177.621 176.870 0.018 0.000 1.072 172 L CA 1.422 56.269 54.840 0.012 0.000 0.749 172 L CB -0.138 41.944 42.059 0.040 0.000 0.889 172 L HN 0.099 nan 8.230 nan 0.000 0.432 173 V N 2.108 122.032 119.914 0.018 0.000 2.470 173 V HA 0.075 4.196 4.120 0.001 0.000 0.276 173 V C 1.185 177.282 176.094 0.004 0.000 1.040 173 V CA -0.252 62.059 62.300 0.017 0.000 1.008 173 V CB 0.666 32.497 31.823 0.013 0.000 0.990 173 V HN 0.345 nan 8.190 nan 0.000 0.477 174 K N 3.545 123.948 120.400 0.004 0.000 2.323 174 K HA 0.148 4.469 4.320 0.001 0.000 0.197 174 K C 0.555 177.155 176.600 0.001 0.000 1.043 174 K CA 0.495 56.782 56.287 -0.001 0.000 0.997 174 K CB 0.389 32.887 32.500 -0.004 0.000 0.807 174 K HN 0.983 nan 8.250 nan 0.000 0.497 175 E N -0.633 119.570 120.200 0.005 0.000 2.409 175 E HA 0.406 4.757 4.350 0.001 0.000 0.280 175 E C -1.211 175.395 176.600 0.010 0.000 1.079 175 E CA -0.731 55.674 56.400 0.007 0.000 0.840 175 E CB 1.000 30.701 29.700 0.003 0.000 1.309 175 E HN -0.176 nan 8.360 nan 0.000 0.447 176 L N 0.906 122.137 121.223 0.013 0.000 2.354 176 L HA 0.485 4.825 4.340 0.001 0.000 0.264 176 L C -0.556 176.308 176.870 -0.011 0.000 1.008 176 L CA -1.342 53.500 54.840 0.004 0.000 0.819 176 L CB 1.959 44.036 42.059 0.031 0.000 1.339 176 L HN 0.575 nan 8.230 nan 0.000 0.420 177 D N 0.511 120.890 120.400 -0.035 0.000 2.382 177 D HA 0.032 4.673 4.640 0.001 0.000 0.240 177 D C 0.836 177.117 176.300 -0.031 0.000 1.146 177 D CA -0.080 53.901 54.000 -0.032 0.000 0.897 177 D CB 1.466 42.242 40.800 -0.040 0.000 1.197 177 D HN 0.403 nan 8.370 nan 0.000 0.432 178 R N 1.405 121.896 120.500 -0.014 0.000 2.091 178 R HA -0.162 4.178 4.340 0.001 0.000 0.238 178 R C 0.853 177.148 176.300 -0.009 0.000 1.136 178 R CA 1.679 57.778 56.100 -0.002 0.000 0.959 178 R CB -0.034 30.268 30.300 0.004 0.000 0.856 178 R HN 0.462 nan 8.270 nan 0.000 0.437 179 D N -0.839 119.545 120.400 -0.025 0.000 2.491 179 D HA 0.011 4.651 4.640 0.001 0.000 0.228 179 D C -0.674 175.575 176.300 -0.086 0.000 1.183 179 D CA -0.144 53.839 54.000 -0.030 0.000 0.827 179 D CB -0.259 40.534 40.800 -0.012 0.000 0.989 179 D HN -0.030 nan 8.370 nan 0.000 0.494 180 T N 0.526 114.978 114.554 -0.171 0.000 2.867 180 T HA 0.182 4.532 4.350 0.001 0.000 0.297 180 T C 1.507 175.858 174.700 -0.583 0.000 0.989 180 T CA 0.062 61.927 62.100 -0.392 0.000 1.159 180 T CB 1.654 70.183 68.868 -0.566 0.000 0.928 180 T HN 0.222 nan 8.240 nan 0.000 0.538 181 V N 0.381 120.065 119.914 -0.383 0.000 3.485 181 V HA 0.563 4.683 4.120 0.001 0.000 0.280 181 V C -0.234 175.936 176.094 0.126 0.000 1.495 181 V CA -0.239 61.995 62.300 -0.111 0.000 1.018 181 V CB 0.058 31.911 31.823 0.051 0.000 0.818 181 V HN 0.618 nan 8.190 nan 0.000 0.436 182 F N 1.651 121.498 119.950 -0.171 0.000 2.630 182 F HA 0.877 5.404 4.527 0.000 0.000 0.325 182 F C -0.681 175.155 175.800 0.060 0.000 1.184 182 F CA -1.096 56.940 58.000 0.059 0.000 1.011 182 F CB 1.352 40.373 39.000 0.035 0.000 1.268 182 F HN 0.227 nan 8.300 nan 0.000 0.480 183 A N 6.411 129.401 122.820 0.284 0.000 2.435 183 A HA 0.826 5.146 4.320 0.001 0.000 0.304 183 A C -2.243 175.438 177.584 0.163 0.000 1.064 183 A CA -0.755 51.349 52.037 0.111 0.000 0.727 183 A CB 1.891 21.040 19.000 0.248 0.000 1.284 183 A HN 0.967 nan 8.150 nan 0.000 0.415 184 L N 2.462 123.724 121.223 0.065 0.000 2.362 184 L HA 0.813 5.154 4.340 0.001 0.000 0.275 184 L C -1.631 175.400 176.870 0.268 0.000 0.998 184 L CA -0.722 54.205 54.840 0.144 0.000 0.820 184 L CB 1.860 43.897 42.059 -0.036 0.000 1.270 184 L HN 0.475 nan 8.230 nan 0.000 0.415 185 V N 4.944 125.085 119.914 0.378 0.000 2.531 185 V HA 0.465 4.586 4.120 0.001 0.000 0.301 185 V C -0.656 175.720 176.094 0.469 0.000 1.034 185 V CA -0.644 61.916 62.300 0.433 0.000 0.865 185 V CB 1.848 33.979 31.823 0.513 0.000 0.995 185 V HN 0.793 nan 8.190 nan 0.000 0.424 186 N N 4.430 123.401 118.700 0.451 0.000 2.448 186 N HA 0.424 5.164 4.740 0.001 0.000 0.279 186 N C -1.632 174.168 175.510 0.484 0.000 1.025 186 N CA -0.240 53.069 53.050 0.432 0.000 0.898 186 N CB 2.041 40.791 38.487 0.439 0.000 1.303 186 N HN 0.709 nan 8.380 nan 0.000 0.495 187 Y N 2.549 123.050 120.300 0.336 0.000 2.570 187 Y HA 0.811 5.362 4.550 0.001 0.000 0.345 187 Y C -1.133 174.940 175.900 0.289 0.000 1.014 187 Y CA -1.147 57.105 58.100 0.253 0.000 1.063 187 Y CB 1.490 40.064 38.460 0.190 0.000 1.272 187 Y HN 0.335 nan 8.280 nan 0.000 0.477 188 I N 3.543 124.386 120.570 0.454 0.000 2.710 188 I HA 0.464 4.634 4.170 0.001 0.000 0.290 188 I C -2.352 174.103 176.117 0.565 0.000 1.318 188 I CA -0.807 60.772 61.300 0.464 0.000 1.045 188 I CB 1.722 39.998 38.000 0.459 0.000 1.307 188 I HN 0.776 nan 8.210 nan 0.000 0.424 189 F N 8.822 129.007 119.950 0.392 0.000 2.518 189 F HA 0.647 5.175 4.527 0.001 0.000 0.323 189 F C -2.137 173.855 175.800 0.319 0.000 1.129 189 F CA -0.707 57.470 58.000 0.295 0.000 0.920 189 F CB 1.485 40.605 39.000 0.199 0.000 1.160 189 F HN 0.331 nan 8.300 nan 0.000 0.440 190 F N 7.169 126.651 119.950 -0.781 0.000 2.518 190 F HA 0.518 5.046 4.527 0.002 0.000 0.323 190 F C -1.265 173.983 175.800 -0.921 0.000 1.129 190 F CA -0.764 56.848 58.000 -0.648 0.000 0.920 190 F CB 1.456 40.234 39.000 -0.371 0.000 1.160 190 F HN 0.533 nan 8.300 nan 0.000 0.440 191 K N 5.122 124.692 120.400 -1.384 0.000 2.701 191 K HA 0.482 4.802 4.320 0.001 0.000 0.212 191 K C -0.361 175.530 176.600 -1.182 0.000 1.035 191 K CA -0.439 55.193 56.287 -1.092 0.000 1.048 191 K CB 0.640 32.839 32.500 -0.502 0.000 1.234 191 K HN 0.878 nan 8.250 nan 0.000 0.540 192 G N 2.286 110.015 108.800 -1.785 0.000 2.537 192 G HA2 0.248 4.208 3.960 0.001 0.000 0.273 192 G HA3 0.248 4.208 3.960 0.001 0.000 0.273 192 G C -0.855 173.694 174.900 -0.585 0.000 1.189 192 G CA -0.563 43.784 45.100 -1.255 0.000 0.881 192 G HN 0.448 nan 8.290 nan 0.000 0.535 193 K N 0.272 120.531 120.400 -0.236 0.000 2.235 193 K HA 0.193 4.513 4.320 0.001 0.000 0.266 193 K C -0.935 175.725 176.600 0.099 0.000 0.980 193 K CA -0.378 55.858 56.287 -0.086 0.000 0.849 193 K CB 1.895 34.393 32.500 -0.003 0.000 1.098 193 K HN 0.553 nan 8.250 nan 0.000 0.445 194 W N 2.025 123.461 121.300 0.226 0.000 2.190 194 W HA 0.040 4.700 4.660 -0.001 0.000 0.330 194 W C 1.320 177.893 176.519 0.090 0.000 1.299 194 W CA -0.310 57.117 57.345 0.135 0.000 1.215 194 W CB 0.490 30.000 29.460 0.083 0.000 1.147 194 W HN 0.663 nan 8.180 nan 0.000 0.563 195 E N 1.276 121.666 120.200 0.317 0.000 2.150 195 E HA -0.113 4.238 4.350 0.001 0.000 0.193 195 E C 0.312 176.976 176.600 0.108 0.000 0.985 195 E CA 0.936 57.420 56.400 0.140 0.000 0.814 195 E CB 0.089 29.809 29.700 0.033 0.000 0.752 195 E HN 0.346 nan 8.360 nan 0.000 0.466 196 R N 1.567 122.139 120.500 0.120 0.000 2.415 196 R HA 0.270 4.610 4.340 0.001 0.000 0.292 196 R C -2.519 173.813 176.300 0.053 0.000 1.295 196 R CA -1.573 54.616 56.100 0.149 0.000 1.137 196 R CB 1.346 31.610 30.300 -0.061 0.000 1.135 196 R HN 0.024 nan 8.270 nan 0.000 0.560 197 P HA 0.179 nan 4.420 nan 0.000 0.276 197 P C -0.611 176.654 177.300 -0.058 0.000 1.252 197 P CA -0.311 62.880 63.100 0.151 0.000 0.802 197 P CB 0.723 32.564 31.700 0.234 0.000 1.035 198 F N -0.537 119.474 119.950 0.102 0.000 2.378 198 F HA 0.268 4.795 4.527 -0.000 0.000 0.325 198 F C 1.387 177.203 175.800 0.027 0.000 1.097 198 F CA -0.245 57.773 58.000 0.030 0.000 1.079 198 F CB 0.657 39.661 39.000 0.006 0.000 1.240 198 F HN 0.192 nan 8.300 nan 0.000 0.519 199 E N 0.803 121.119 120.200 0.194 0.000 2.146 199 E HA 0.200 4.550 4.350 0.001 0.000 0.282 199 E C 0.529 177.182 176.600 0.088 0.000 0.989 199 E CA -0.353 56.105 56.400 0.096 0.000 0.799 199 E CB 1.730 31.453 29.700 0.038 0.000 1.088 199 E HN 0.434 nan 8.360 nan 0.000 0.397 200 V N 4.668 124.622 119.914 0.067 0.000 2.332 200 V HA -0.349 3.772 4.120 0.001 0.000 0.248 200 V C 2.230 178.336 176.094 0.020 0.000 1.055 200 V CA 2.406 64.730 62.300 0.041 0.000 1.038 200 V CB -0.709 31.134 31.823 0.033 0.000 0.651 200 V HN 0.719 nan 8.190 nan 0.000 0.450 201 K N 0.222 120.632 120.400 0.016 0.000 2.281 201 K HA -0.199 4.121 4.320 0.001 0.000 0.203 201 K C 1.229 177.830 176.600 0.001 0.000 1.046 201 K CA 2.025 58.315 56.287 0.006 0.000 0.938 201 K CB -0.290 32.211 32.500 0.002 0.000 0.737 201 K HN 0.402 nan 8.250 nan 0.000 0.458 202 D N 0.786 121.189 120.400 0.006 0.000 2.350 202 D HA -0.003 4.638 4.640 0.001 0.000 0.213 202 D C -0.219 176.064 176.300 -0.029 0.000 1.031 202 D CA 0.452 54.447 54.000 -0.008 0.000 0.861 202 D CB 0.333 41.135 40.800 0.003 0.000 0.926 202 D HN 0.145 nan 8.370 nan 0.000 0.520 203 T N 2.589 117.128 114.554 -0.026 0.000 2.752 203 T HA 0.202 4.553 4.350 0.001 0.000 0.295 203 T C 0.452 175.133 174.700 -0.031 0.000 0.923 203 T CA -0.120 61.950 62.100 -0.049 0.000 1.112 203 T CB 0.817 69.656 68.868 -0.049 0.000 0.884 203 T HN 0.194 nan 8.240 nan 0.000 0.525 204 E N 2.187 122.370 120.200 -0.028 0.000 2.433 204 E HA 0.448 4.799 4.350 0.001 0.000 0.273 204 E C -1.136 175.468 176.600 0.006 0.000 0.950 204 E CA -1.188 55.208 56.400 -0.007 0.000 0.796 204 E CB 1.291 30.992 29.700 0.002 0.000 1.330 204 E HN 0.193 nan 8.360 nan 0.000 0.455 205 E N 1.127 121.335 120.200 0.014 0.000 2.344 205 E HA 0.213 4.563 4.350 0.001 0.000 0.270 205 E C -0.596 176.029 176.600 0.042 0.000 1.021 205 E CA 0.323 56.738 56.400 0.025 0.000 0.887 205 E CB 1.033 30.743 29.700 0.018 0.000 0.997 205 E HN 0.387 nan 8.360 nan 0.000 0.429 206 E N 1.406 121.644 120.200 0.062 0.000 2.433 206 E HA 0.268 4.618 4.350 0.001 0.000 0.273 206 E C -1.040 175.615 176.600 0.093 0.000 0.950 206 E CA -0.879 55.569 56.400 0.080 0.000 0.796 206 E CB 1.540 31.306 29.700 0.110 0.000 1.330 206 E HN 0.274 nan 8.360 nan 0.000 0.455 207 D N 0.635 121.081 120.400 0.077 0.000 2.304 207 D HA 0.258 4.898 4.640 0.001 0.000 0.247 207 D C -1.107 175.283 176.300 0.150 0.000 1.089 207 D CA 0.313 54.346 54.000 0.056 0.000 0.910 207 D CB 0.619 41.390 40.800 -0.049 0.000 1.199 207 D HN 0.169 nan 8.370 nan 0.000 0.426 208 F N 1.972 121.921 119.950 -0.003 0.000 2.553 208 F HA 0.152 4.679 4.527 -0.000 0.000 0.335 208 F C -0.181 175.645 175.800 0.043 0.000 1.148 208 F CA -0.665 57.391 58.000 0.093 0.000 0.963 208 F CB 0.876 39.938 39.000 0.103 0.000 1.217 208 F HN 0.259 nan 8.300 nan 0.000 0.441 209 H N 6.838 125.865 119.070 -0.071 0.000 3.089 209 H HA 0.151 4.707 4.556 0.001 0.000 0.262 209 H C 1.248 176.651 175.328 0.125 0.000 1.160 209 H CA 0.239 56.297 56.048 0.016 0.000 1.482 209 H CB 1.147 30.867 29.762 -0.069 0.000 1.511 209 H HN 0.683 nan 8.280 nan 0.000 0.483 210 V N 0.686 120.772 119.914 0.287 0.000 2.488 210 V HA -0.014 4.107 4.120 0.001 0.000 0.246 210 V C 0.383 176.587 176.094 0.183 0.000 1.046 210 V CA 0.982 63.447 62.300 0.275 0.000 1.053 210 V CB 0.033 31.982 31.823 0.210 0.000 0.679 210 V HN 0.408 nan 8.190 nan 0.000 0.458 211 D N -1.171 119.317 120.400 0.147 0.000 2.467 211 D HA 0.400 5.040 4.640 0.001 0.000 0.245 211 D C 0.525 176.904 176.300 0.131 0.000 1.038 211 D CA -0.573 53.496 54.000 0.115 0.000 1.038 211 D CB 1.288 42.138 40.800 0.084 0.000 1.278 211 D HN 0.002 nan 8.370 nan 0.000 0.564 212 Q N -0.155 119.706 119.800 0.101 0.000 2.482 212 Q HA 0.034 4.375 4.340 0.001 0.000 0.209 212 Q C 0.901 176.967 176.000 0.110 0.000 0.961 212 Q CA 0.448 56.311 55.803 0.101 0.000 0.945 212 Q CB 0.449 29.223 28.738 0.060 0.000 1.012 212 Q HN 0.383 nan 8.270 nan 0.000 0.515 213 V N -5.108 114.862 119.914 0.093 0.000 3.337 213 V HA 0.296 4.416 4.120 0.001 0.000 0.307 213 V C 0.053 176.175 176.094 0.047 0.000 1.505 213 V CA -0.353 61.989 62.300 0.069 0.000 1.072 213 V CB 1.131 32.983 31.823 0.047 0.000 0.929 213 V HN -0.101 nan 8.190 nan 0.000 0.455 214 T N 2.340 116.922 114.554 0.047 0.000 2.848 214 T HA 0.704 5.054 4.350 0.001 0.000 0.285 214 T C -0.102 174.577 174.700 -0.034 0.000 0.995 214 T CA 0.174 62.283 62.100 0.014 0.000 0.970 214 T CB 1.891 70.782 68.868 0.038 0.000 0.976 214 T HN 0.668 nan 8.240 nan 0.000 0.441 215 T N -0.672 113.831 114.554 -0.085 0.000 2.916 215 T HA 0.879 5.230 4.350 0.001 0.000 0.292 215 T C -0.828 173.856 174.700 -0.027 0.000 1.064 215 T CA -0.803 61.216 62.100 -0.136 0.000 1.011 215 T CB 1.625 70.311 68.868 -0.303 0.000 1.152 215 T HN 0.414 nan 8.240 nan 0.000 0.510 216 V N 1.379 121.309 119.914 0.026 0.000 2.932 216 V HA 0.502 4.623 4.120 0.001 0.000 0.307 216 V C -0.941 175.193 176.094 0.067 0.000 1.147 216 V CA -1.190 61.135 62.300 0.042 0.000 0.951 216 V CB 2.512 34.361 31.823 0.043 0.000 1.031 216 V HN 0.888 nan 8.190 nan 0.000 0.426 217 K N 3.023 123.447 120.400 0.039 0.000 2.218 217 K HA 0.734 5.054 4.320 0.001 0.000 0.276 217 K C -0.466 176.159 176.600 0.041 0.000 1.022 217 K CA -0.244 56.071 56.287 0.046 0.000 0.946 217 K CB 1.823 34.338 32.500 0.025 0.000 1.000 217 K HN 0.784 nan 8.250 nan 0.000 0.468 218 V N -1.315 118.635 119.914 0.060 0.000 3.120 218 V HA 0.491 4.611 4.120 0.001 0.000 0.303 218 V C -2.857 173.260 176.094 0.037 0.000 1.238 218 V CA -2.577 59.744 62.300 0.035 0.000 1.008 218 V CB 2.094 33.936 31.823 0.031 0.000 1.064 218 V HN 0.483 nan 8.190 nan 0.000 0.434 219 P HA 0.323 nan 4.420 nan 0.000 0.267 219 P C -0.842 176.451 177.300 -0.012 0.000 1.209 219 P CA 0.257 63.353 63.100 -0.006 0.000 0.763 219 P CB 0.635 32.322 31.700 -0.022 0.000 0.816 220 M N 4.977 124.565 119.600 -0.019 0.000 2.134 220 M HA 0.360 4.841 4.480 0.001 0.000 0.310 220 M C -0.546 175.669 176.300 -0.142 0.000 0.966 220 M CA -0.584 54.690 55.300 -0.044 0.000 0.922 220 M CB 0.973 33.599 32.600 0.043 0.000 1.537 220 M HN 0.195 nan 8.290 nan 0.000 0.424 221 M N 4.793 124.220 119.600 -0.288 0.000 2.242 221 M HA 0.389 4.870 4.480 0.001 0.000 0.344 221 M C -0.304 175.749 176.300 -0.411 0.000 1.140 221 M CA 0.168 55.195 55.300 -0.455 0.000 1.160 221 M CB 0.698 32.726 32.600 -0.953 0.000 1.491 221 M HN 0.596 nan 8.290 nan 0.000 0.459 222 K N 1.572 121.856 120.400 -0.193 0.000 2.532 222 K HA 0.826 5.147 4.320 0.001 0.000 0.265 222 K C -1.471 175.206 176.600 0.129 0.000 0.948 222 K CA -1.158 55.032 56.287 -0.163 0.000 0.842 222 K CB 2.766 34.929 32.500 -0.562 0.000 1.392 222 K HN 0.773 nan 8.250 nan 0.000 0.436 223 R N 1.683 122.258 120.500 0.126 0.000 2.604 223 R HA 0.332 4.673 4.340 0.001 0.000 0.261 223 R C -2.116 174.286 176.300 0.169 0.000 1.080 223 R CA -0.881 55.300 56.100 0.135 0.000 0.917 223 R CB 1.504 31.861 30.300 0.095 0.000 1.252 223 R HN 0.657 nan 8.270 nan 0.000 0.456 224 L N 3.572 124.851 121.223 0.093 0.000 2.272 224 L HA 0.884 5.225 4.340 0.001 0.000 0.289 224 L C -0.438 176.441 176.870 0.014 0.000 1.032 224 L CA 0.550 55.449 54.840 0.098 0.000 0.810 224 L CB 1.234 43.316 42.059 0.038 0.000 1.205 224 L HN 0.833 nan 8.230 nan 0.000 0.422 225 G N 4.463 113.259 108.800 -0.007 0.000 2.494 225 G HA2 0.361 4.321 3.960 0.001 0.000 0.308 225 G HA3 0.361 4.321 3.960 0.001 0.000 0.308 225 G C -1.528 173.177 174.900 -0.325 0.000 1.263 225 G CA -0.885 44.045 45.100 -0.283 0.000 0.840 225 G HN 0.280 nan 8.290 nan 0.000 0.479 226 M N 1.107 120.444 119.600 -0.439 0.000 2.055 226 M HA 0.527 5.007 4.480 0.001 0.000 0.347 226 M C -1.457 174.589 176.300 -0.423 0.000 1.123 226 M CA -0.399 54.737 55.300 -0.273 0.000 1.035 226 M CB -0.067 32.437 32.600 -0.160 0.000 1.484 226 M HN 0.277 nan 8.290 nan 0.000 0.428 227 F N 1.123 121.043 119.950 -0.051 0.000 2.507 227 F HA 0.344 4.871 4.527 0.000 0.000 0.327 227 F C 1.066 176.854 175.800 -0.021 0.000 1.068 227 F CA -0.830 57.131 58.000 -0.066 0.000 0.965 227 F CB 1.244 40.194 39.000 -0.083 0.000 1.192 227 F HN 0.513 nan 8.300 nan 0.000 0.476 228 N N 3.188 121.998 118.700 0.183 0.000 2.895 228 N HA 0.328 5.068 4.740 0.001 0.000 0.277 228 N C -1.149 174.445 175.510 0.141 0.000 1.185 228 N CA 0.033 53.159 53.050 0.127 0.000 1.106 228 N CB -0.027 38.508 38.487 0.079 0.000 1.422 228 N HN 0.570 nan 8.380 nan 0.000 0.521 229 I N 1.669 122.348 120.570 0.182 0.000 2.730 229 I HA 0.340 4.510 4.170 0.001 0.000 0.298 229 I C -1.614 174.685 176.117 0.304 0.000 1.089 229 I CA -0.530 60.896 61.300 0.211 0.000 1.041 229 I CB 1.683 39.789 38.000 0.177 0.000 1.235 229 I HN 0.426 nan 8.210 nan 0.000 0.423 230 Q N 5.790 125.804 119.800 0.357 0.000 2.633 230 Q HA 0.320 4.660 4.340 0.001 0.000 0.289 230 Q C -1.751 174.272 176.000 0.038 0.000 0.940 230 Q CA -0.853 55.114 55.803 0.273 0.000 0.785 230 Q CB 1.792 30.639 28.738 0.181 0.000 1.467 230 Q HN 0.699 nan 8.270 nan 0.000 0.401 231 H N 0.338 119.125 119.070 -0.471 0.000 2.488 231 H HA 0.424 4.981 4.556 0.001 0.000 0.322 231 H C -1.131 174.027 175.328 -0.284 0.000 1.078 231 H CA -0.333 55.246 56.048 -0.782 0.000 1.260 231 H CB 1.286 30.248 29.762 -1.333 0.000 1.425 231 H HN 0.728 nan 8.280 nan 0.000 0.471 232 C N 6.641 125.743 119.300 -0.330 0.000 2.281 232 C HA 0.245 4.705 4.460 0.001 0.000 0.325 232 C C 1.676 176.665 174.990 -0.002 0.000 1.282 232 C CA -0.620 58.387 59.018 -0.019 0.000 1.640 232 C CB -0.463 27.382 27.740 0.176 0.000 2.288 232 C HN 1.006 nan 8.230 nan 0.000 0.507 233 K N 2.695 123.143 120.400 0.080 0.000 2.026 233 K HA -0.178 4.143 4.320 0.001 0.000 0.208 233 K C 2.035 178.686 176.600 0.086 0.000 1.048 233 K CA 1.879 58.218 56.287 0.087 0.000 0.929 233 K CB 0.006 32.536 32.500 0.050 0.000 0.713 233 K HN 0.778 nan 8.250 nan 0.000 0.439 234 K N 0.911 121.361 120.400 0.083 0.000 2.057 234 K HA -0.096 4.224 4.320 0.001 0.000 0.207 234 K C 1.631 178.337 176.600 0.176 0.000 1.049 234 K CA 1.168 57.521 56.287 0.110 0.000 0.931 234 K CB 0.068 32.599 32.500 0.052 0.000 0.714 234 K HN 0.076 nan 8.250 nan 0.000 0.440 235 L N 0.550 121.851 121.223 0.129 0.000 2.591 235 L HA 0.109 4.449 4.340 0.001 0.000 0.228 235 L C 0.317 177.289 176.870 0.171 0.000 1.133 235 L CA -0.051 54.859 54.840 0.117 0.000 0.880 235 L CB 0.041 42.176 42.059 0.126 0.000 1.033 235 L HN 0.111 nan 8.230 nan 0.000 0.450 236 S N 0.497 116.269 115.700 0.121 0.000 3.549 236 S HA -0.159 4.312 4.470 0.001 0.000 0.366 236 S C 0.129 174.712 174.600 -0.029 0.000 1.012 236 S CA 0.668 58.914 58.200 0.076 0.000 1.141 236 S CB -1.036 62.219 63.200 0.091 0.000 0.910 236 S HN 0.585 nan 8.310 nan 0.000 0.471 237 S N -1.263 114.280 115.700 -0.262 0.000 2.579 237 S HA 0.624 5.095 4.470 0.001 0.000 0.272 237 S C -0.759 173.509 174.600 -0.553 0.000 1.141 237 S CA -1.013 57.041 58.200 -0.243 0.000 0.843 237 S CB 0.870 64.114 63.200 0.074 0.000 1.122 237 S HN 0.424 nan 8.310 nan 0.000 0.468 238 W N 1.347 122.471 121.300 -0.293 0.000 2.261 238 W HA 0.568 5.229 4.660 0.002 0.000 0.323 238 W C -0.619 175.824 176.519 -0.126 0.000 1.243 238 W CA -0.218 57.007 57.345 -0.201 0.000 1.210 238 W CB 0.819 30.183 29.460 -0.160 0.000 1.149 238 W HN 0.307 nan 8.180 nan 0.000 0.562 239 V N 5.583 125.563 119.914 0.110 0.000 2.443 239 V HA 0.356 4.476 4.120 0.001 0.000 0.293 239 V C -0.945 175.096 176.094 -0.088 0.000 1.021 239 V CA -1.001 61.190 62.300 -0.182 0.000 0.848 239 V CB 1.146 32.607 31.823 -0.603 0.000 0.998 239 V HN 0.316 nan 8.190 nan 0.000 0.424 240 L N 6.581 127.773 121.223 -0.051 0.000 2.341 240 L HA 0.794 5.135 4.340 0.001 0.000 0.278 240 L C -1.265 175.588 176.870 -0.028 0.000 1.005 240 L CA -0.196 54.652 54.840 0.013 0.000 0.818 240 L CB 1.587 43.682 42.059 0.060 0.000 1.259 240 L HN 0.523 nan 8.230 nan 0.000 0.418 241 L N 6.156 127.371 121.223 -0.013 0.000 2.325 241 L HA 0.638 4.979 4.340 0.001 0.000 0.281 241 L C -0.484 176.400 176.870 0.023 0.000 1.004 241 L CA 0.063 54.902 54.840 -0.002 0.000 0.823 241 L CB 1.741 43.802 42.059 0.004 0.000 1.236 241 L HN 0.637 nan 8.230 nan 0.000 0.415 242 M N 3.099 122.712 119.600 0.021 0.000 2.327 242 M HA 0.461 4.941 4.480 0.001 0.000 0.298 242 M C -0.765 175.562 176.300 0.044 0.000 1.065 242 M CA -0.755 54.522 55.300 -0.038 0.000 0.916 242 M CB 2.482 34.888 32.600 -0.325 0.000 1.630 242 M HN 0.422 nan 8.290 nan 0.000 0.442 243 K N 1.830 122.267 120.400 0.062 0.000 2.174 243 K HA 0.471 4.791 4.320 0.001 0.000 0.275 243 K C -1.478 175.239 176.600 0.195 0.000 1.015 243 K CA -0.395 55.958 56.287 0.109 0.000 0.933 243 K CB 1.051 33.599 32.500 0.081 0.000 1.025 243 K HN 0.397 nan 8.250 nan 0.000 0.463 244 Y N 1.162 121.635 120.300 0.289 0.000 2.387 244 Y HA 0.155 4.704 4.550 -0.000 0.000 0.330 244 Y C 0.335 176.320 175.900 0.141 0.000 1.133 244 Y CA -1.099 57.130 58.100 0.215 0.000 1.152 244 Y CB 0.767 39.341 38.460 0.191 0.000 1.215 244 Y HN 0.232 nan 8.280 nan 0.000 0.466 245 L N 2.809 124.206 121.223 0.289 0.000 2.559 245 L HA 0.236 4.577 4.340 0.001 0.000 0.274 245 L C 0.870 177.841 176.870 0.168 0.000 1.205 245 L CA 1.201 56.145 54.840 0.174 0.000 0.907 245 L CB -0.794 41.339 42.059 0.124 0.000 1.153 245 L HN 0.963 nan 8.230 nan 0.000 0.490 246 G N 3.983 112.860 108.800 0.128 0.000 2.378 246 G HA2 -0.194 3.766 3.960 0.001 0.000 0.198 246 G HA3 -0.194 3.766 3.960 0.001 0.000 0.198 246 G C 0.011 174.975 174.900 0.106 0.000 1.223 246 G CA -0.052 45.113 45.100 0.109 0.000 1.088 246 G HN 0.718 nan 8.290 nan 0.000 0.530 247 N N 1.142 119.897 118.700 0.091 0.000 2.546 247 N HA 0.552 5.292 4.740 0.001 0.000 0.286 247 N C 0.128 175.693 175.510 0.092 0.000 1.259 247 N CA 0.640 53.734 53.050 0.073 0.000 0.939 247 N CB 1.071 39.581 38.487 0.037 0.000 1.243 247 N HN 1.417 nan 8.380 nan 0.000 0.511 248 A N -0.112 122.806 122.820 0.164 0.000 2.413 248 A HA 0.802 5.123 4.320 0.001 0.000 0.307 248 A C -0.703 177.068 177.584 0.312 0.000 1.087 248 A CA -0.458 51.705 52.037 0.210 0.000 0.750 248 A CB 1.622 20.732 19.000 0.183 0.000 1.296 248 A HN 0.132 nan 8.150 nan 0.000 0.423 249 T N 1.159 115.870 114.554 0.262 0.000 2.928 249 T HA 0.638 4.988 4.350 0.001 0.000 0.296 249 T C -0.287 174.531 174.700 0.197 0.000 1.000 249 T CA 0.058 62.280 62.100 0.203 0.000 0.989 249 T CB 1.522 70.464 68.868 0.123 0.000 1.005 249 T HN 1.281 nan 8.240 nan 0.000 0.442 250 A N 3.708 126.613 122.820 0.142 0.000 2.309 250 A HA 0.824 5.144 4.320 0.001 0.000 0.298 250 A C -0.289 177.214 177.584 -0.136 0.000 1.165 250 A CA -0.636 51.429 52.037 0.047 0.000 0.821 250 A CB 0.074 19.139 19.000 0.109 0.000 1.102 250 A HN 0.861 nan 8.150 nan 0.000 0.500 251 I N 2.211 122.625 120.570 -0.260 0.000 2.410 251 I HA 0.351 4.522 4.170 0.001 0.000 0.286 251 I C -1.346 174.460 176.117 -0.519 0.000 1.009 251 I CA -0.153 60.941 61.300 -0.343 0.000 1.111 251 I CB 1.314 39.157 38.000 -0.263 0.000 1.262 251 I HN 0.510 nan 8.210 nan 0.000 0.443 252 F N 5.718 125.506 119.950 -0.271 0.000 2.427 252 F HA 0.516 5.044 4.527 0.002 0.000 0.346 252 F C -0.354 175.370 175.800 -0.127 0.000 1.120 252 F CA -0.565 57.399 58.000 -0.060 0.000 1.033 252 F CB 1.119 39.930 39.000 -0.315 0.000 1.126 252 F HN 0.196 nan 8.300 nan 0.000 0.462 253 F N 4.377 124.631 119.950 0.507 0.000 2.375 253 F HA 0.449 4.979 4.527 0.003 0.000 0.361 253 F C -0.468 175.563 175.800 0.385 0.000 1.117 253 F CA -0.904 57.294 58.000 0.329 0.000 1.037 253 F CB 1.373 40.482 39.000 0.182 0.000 1.192 253 F HN 0.213 nan 8.300 nan 0.000 0.452 254 L N 7.549 128.977 121.223 0.341 0.000 2.283 254 L HA 0.561 4.902 4.340 0.001 0.000 0.281 254 L C -2.404 174.555 176.870 0.149 0.000 1.033 254 L CA -2.368 52.547 54.840 0.125 0.000 0.848 254 L CB 0.504 42.323 42.059 -0.400 0.000 1.226 254 L HN 0.187 nan 8.230 nan 0.000 0.429 255 P HA 0.107 nan 4.420 nan 0.000 0.271 255 P C -0.787 176.580 177.300 0.111 0.000 1.218 255 P CA -0.203 62.983 63.100 0.142 0.000 0.780 255 P CB 0.817 32.611 31.700 0.157 0.000 0.901 256 D N 1.039 121.505 120.400 0.109 0.000 2.369 256 D HA 0.036 4.677 4.640 0.001 0.000 0.241 256 D C 0.501 176.838 176.300 0.062 0.000 1.271 256 D CA 0.014 54.077 54.000 0.106 0.000 0.942 256 D CB 0.257 41.126 40.800 0.115 0.000 1.129 256 D HN 0.393 nan 8.370 nan 0.000 0.476 257 E N -0.272 119.949 120.200 0.036 0.000 2.585 257 E HA 0.166 4.517 4.350 0.001 0.000 0.252 257 E C 0.777 177.392 176.600 0.025 0.000 0.981 257 E CA 0.462 56.872 56.400 0.017 0.000 0.943 257 E CB 0.108 29.807 29.700 -0.001 0.000 0.923 257 E HN 0.666 nan 8.360 nan 0.000 0.486 258 G N 3.921 112.743 108.800 0.036 0.000 2.225 258 G HA2 -0.296 3.664 3.960 0.001 0.000 0.267 258 G HA3 -0.296 3.664 3.960 0.001 0.000 0.267 258 G C 0.544 175.474 174.900 0.050 0.000 1.024 258 G CA 0.198 45.323 45.100 0.041 0.000 0.784 258 G HN 0.464 nan 8.290 nan 0.000 0.507 259 K N -0.795 119.648 120.400 0.071 0.000 2.438 259 K HA 0.287 4.607 4.320 0.001 0.000 0.205 259 K C 2.034 178.719 176.600 0.141 0.000 1.033 259 K CA -0.014 56.334 56.287 0.102 0.000 1.089 259 K CB 0.374 32.928 32.500 0.090 0.000 0.857 259 K HN 0.380 nan 8.250 nan 0.000 0.522 260 L N 1.955 123.253 121.223 0.124 0.000 1.989 260 L HA -0.231 4.109 4.340 0.001 0.000 0.211 260 L C 2.400 179.339 176.870 0.115 0.000 1.071 260 L CA 2.154 57.074 54.840 0.132 0.000 0.749 260 L CB -0.468 41.674 42.059 0.138 0.000 0.890 260 L HN 0.108 nan 8.230 nan 0.000 0.431 261 Q N -1.159 118.705 119.800 0.107 0.000 2.096 261 Q HA -0.292 4.048 4.340 0.001 0.000 0.204 261 Q C 2.315 178.357 176.000 0.071 0.000 0.982 261 Q CA 2.176 58.028 55.803 0.082 0.000 0.850 261 Q CB -0.443 28.341 28.738 0.076 0.000 0.901 261 Q HN 0.783 nan 8.270 nan 0.000 0.422 262 H N -0.314 118.762 119.070 0.009 0.000 2.321 262 H HA -0.103 4.455 4.556 0.003 0.000 0.300 262 H C 1.845 177.154 175.328 -0.030 0.000 1.087 262 H CA 1.876 57.919 56.048 -0.010 0.000 1.319 262 H CB -0.391 29.371 29.762 0.000 0.000 1.379 262 H HN 0.355 nan 8.280 nan 0.000 0.501 263 L N 0.414 121.628 121.223 -0.014 0.000 2.042 263 L HA -0.203 4.138 4.340 0.001 0.000 0.210 263 L C 1.892 178.644 176.870 -0.197 0.000 1.076 263 L CA 2.200 56.982 54.840 -0.098 0.000 0.749 263 L CB -0.409 41.664 42.059 0.023 0.000 0.893 263 L HN 0.522 nan 8.230 nan 0.000 0.432 264 E N -0.212 119.922 120.200 -0.109 0.000 2.077 264 E HA -0.213 4.137 4.350 0.001 0.000 0.193 264 E C 1.831 178.319 176.600 -0.186 0.000 0.989 264 E CA 1.397 57.731 56.400 -0.109 0.000 0.800 264 E CB -0.069 29.672 29.700 0.069 0.000 0.746 264 E HN 0.574 nan 8.360 nan 0.000 0.452 265 N N 0.915 119.505 118.700 -0.183 0.000 2.142 265 N HA -0.121 4.619 4.740 0.001 0.000 0.186 265 N C 1.513 176.854 175.510 -0.282 0.000 1.023 265 N CA 0.867 53.793 53.050 -0.206 0.000 0.852 265 N CB -0.104 38.287 38.487 -0.160 0.000 0.998 265 N HN 0.142 nan 8.380 nan 0.000 0.424 266 E N 0.593 120.575 120.200 -0.362 0.000 2.427 266 E HA 0.042 4.392 4.350 0.001 0.000 0.196 266 E C 0.520 176.927 176.600 -0.323 0.000 1.028 266 E CA -0.076 56.114 56.400 -0.351 0.000 0.864 266 E CB 0.028 29.454 29.700 -0.456 0.000 0.813 266 E HN 0.385 nan 8.360 nan 0.000 0.514 267 L N 1.731 122.710 121.223 -0.407 0.000 2.485 267 L HA 0.036 4.376 4.340 0.001 0.000 0.275 267 L C 0.761 177.271 176.870 -0.600 0.000 1.207 267 L CA 0.469 55.019 54.840 -0.484 0.000 0.855 267 L CB 0.368 42.047 42.059 -0.633 0.000 1.114 267 L HN 0.062 nan 8.230 nan 0.000 0.485 268 T N -2.980 111.339 114.554 -0.392 0.000 2.853 268 T HA 0.134 4.484 4.350 0.001 0.000 0.311 268 T C 0.567 175.348 174.700 0.135 0.000 1.307 268 T CA -0.738 61.219 62.100 -0.238 0.000 1.019 268 T CB 1.166 69.961 68.868 -0.121 0.000 1.264 268 T HN 0.670 nan 8.240 nan 0.000 0.497 269 H N 0.320 119.533 119.070 0.239 0.000 2.387 269 H HA -0.127 4.426 4.556 -0.005 0.000 0.299 269 H C 1.465 176.866 175.328 0.121 0.000 1.090 269 H CA 2.285 58.479 56.048 0.244 0.000 1.332 269 H CB 0.114 29.990 29.762 0.191 0.000 1.386 269 H HN 0.807 nan 8.280 nan 0.000 0.516 270 D N 0.322 120.699 120.400 -0.037 0.000 2.117 270 D HA -0.118 4.522 4.640 0.001 0.000 0.197 270 D C 2.407 178.630 176.300 -0.128 0.000 0.987 270 D CA 1.038 54.956 54.000 -0.137 0.000 0.829 270 D CB -0.216 40.538 40.800 -0.077 0.000 0.961 270 D HN 0.439 nan 8.370 nan 0.000 0.460 271 I N -0.084 120.439 120.570 -0.078 0.000 2.286 271 I HA -0.217 3.953 4.170 0.001 0.000 0.248 271 I C 2.154 178.239 176.117 -0.054 0.000 1.115 271 I CA 0.685 61.909 61.300 -0.126 0.000 1.392 271 I CB -0.083 37.886 38.000 -0.051 0.000 1.065 271 I HN 0.105 nan 8.210 nan 0.000 0.418 272 I N -0.042 120.629 120.570 0.167 0.000 2.252 272 I HA -0.253 3.918 4.170 0.001 0.000 0.245 272 I C 2.456 178.685 176.117 0.187 0.000 1.102 272 I CA 1.370 62.884 61.300 0.358 0.000 1.385 272 I CB -0.390 37.848 38.000 0.397 0.000 1.064 272 I HN 0.163 nan 8.210 nan 0.000 0.414 273 T N 0.427 114.969 114.554 -0.020 0.000 2.720 273 T HA -0.260 4.090 4.350 0.001 0.000 0.268 273 T C 1.925 176.610 174.700 -0.025 0.000 1.037 273 T CA 1.558 63.619 62.100 -0.066 0.000 1.144 273 T CB -0.202 68.527 68.868 -0.230 0.000 0.864 273 T HN 0.312 nan 8.240 nan 0.000 0.444 274 K N 0.044 120.385 120.400 -0.097 0.000 2.057 274 K HA -0.106 4.214 4.320 0.001 0.000 0.207 274 K C 1.907 178.460 176.600 -0.079 0.000 1.049 274 K CA 1.336 57.537 56.287 -0.143 0.000 0.931 274 K CB -0.288 32.042 32.500 -0.282 0.000 0.714 274 K HN 0.218 nan 8.250 nan 0.000 0.440 275 F N 1.491 121.470 119.950 0.048 0.000 2.102 275 F HA -0.130 4.398 4.527 0.002 0.000 0.298 275 F C 2.025 177.853 175.800 0.046 0.000 1.105 275 F CA 1.091 59.125 58.000 0.057 0.000 1.239 275 F CB -0.500 38.551 39.000 0.085 0.000 0.991 275 F HN -0.021 nan 8.300 nan 0.000 0.474 276 L N -0.430 120.935 121.223 0.236 0.000 2.265 276 L HA -0.179 4.161 4.340 0.001 0.000 0.215 276 L C 2.079 179.008 176.870 0.098 0.000 1.117 276 L CA 1.195 56.123 54.840 0.148 0.000 0.782 276 L CB -0.623 41.512 42.059 0.128 0.000 0.914 276 L HN 0.220 nan 8.230 nan 0.000 0.441 277 E N -0.380 119.867 120.200 0.078 0.000 2.158 277 E HA -0.086 4.265 4.350 0.001 0.000 0.191 277 E C 0.912 177.543 176.600 0.051 0.000 0.982 277 E CA -0.048 56.381 56.400 0.048 0.000 0.823 277 E CB -0.049 29.666 29.700 0.024 0.000 0.766 277 E HN 0.413 nan 8.360 nan 0.000 0.468 278 N N 1.548 120.293 118.700 0.075 0.000 2.497 278 N HA -0.070 4.670 4.740 0.001 0.000 0.268 278 N C 0.133 175.687 175.510 0.073 0.000 1.171 278 N CA 0.457 53.554 53.050 0.078 0.000 0.948 278 N CB 0.693 39.250 38.487 0.116 0.000 1.069 278 N HN 0.020 nan 8.380 nan 0.000 0.460 279 E N 1.694 121.925 120.200 0.051 0.000 2.630 279 E HA 0.099 4.449 4.350 0.001 0.000 0.218 279 E C -0.723 175.897 176.600 0.034 0.000 0.977 279 E CA -0.230 56.192 56.400 0.037 0.000 1.038 279 E CB 0.428 30.139 29.700 0.018 0.000 1.051 279 E HN 0.618 nan 8.360 nan 0.000 0.487 280 D N 1.766 122.195 120.400 0.048 0.000 2.399 280 D HA 0.146 4.786 4.640 0.001 0.000 0.241 280 D C 0.314 176.647 176.300 0.055 0.000 1.133 280 D CA 0.571 54.599 54.000 0.047 0.000 0.890 280 D CB 1.045 41.879 40.800 0.057 0.000 1.201 280 D HN -0.125 nan 8.370 nan 0.000 0.432 281 R N 0.608 121.133 120.500 0.041 0.000 2.807 281 R HA 0.646 4.987 4.340 0.001 0.000 0.276 281 R C -0.233 176.099 176.300 0.053 0.000 0.979 281 R CA -0.950 55.175 56.100 0.043 0.000 0.928 281 R CB 2.436 32.731 30.300 -0.009 0.000 1.191 281 R HN 0.478 nan 8.270 nan 0.000 0.471 282 R N -0.976 119.572 120.500 0.081 0.000 2.739 282 R HA 0.428 4.768 4.340 0.001 0.000 0.271 282 R C -1.053 175.305 176.300 0.097 0.000 1.010 282 R CA -0.899 55.253 56.100 0.086 0.000 0.897 282 R CB 1.393 31.761 30.300 0.113 0.000 1.236 282 R HN 0.638 nan 8.270 nan 0.000 0.466 283 S N 0.999 116.744 115.700 0.075 0.000 2.576 283 S HA 0.719 5.190 4.470 0.001 0.000 0.276 283 S C -0.023 174.651 174.600 0.123 0.000 1.339 283 S CA 0.009 58.256 58.200 0.079 0.000 1.039 283 S CB 1.265 64.491 63.200 0.044 0.000 0.902 283 S HN 1.040 nan 8.310 nan 0.000 0.516 284 A N 1.808 124.734 122.820 0.177 0.000 2.605 284 A HA 0.653 4.973 4.320 0.001 0.000 0.294 284 A C -0.571 177.099 177.584 0.144 0.000 1.062 284 A CA -0.830 51.278 52.037 0.120 0.000 0.682 284 A CB 1.057 20.094 19.000 0.062 0.000 1.278 284 A HN 0.776 nan 8.150 nan 0.000 0.410 285 S N 0.882 116.611 115.700 0.047 0.000 2.434 285 S HA 0.469 4.939 4.470 0.001 0.000 0.318 285 S C -0.493 174.137 174.600 0.050 0.000 1.062 285 S CA -0.245 58.004 58.200 0.083 0.000 1.116 285 S CB 0.114 63.380 63.200 0.111 0.000 0.977 285 S HN 0.816 nan 8.310 nan 0.000 0.480 286 L N 4.963 126.158 121.223 -0.048 0.000 2.289 286 L HA 0.544 4.885 4.340 0.001 0.000 0.285 286 L C -1.041 175.815 176.870 -0.024 0.000 1.049 286 L CA -0.074 54.665 54.840 -0.169 0.000 0.804 286 L CB 0.507 42.139 42.059 -0.711 0.000 1.195 286 L HN 0.526 nan 8.230 nan 0.000 0.428 287 H N 5.354 124.336 119.070 -0.146 0.000 2.638 287 H HA 0.656 5.212 4.556 0.000 0.000 0.317 287 H C -1.156 174.075 175.328 -0.161 0.000 1.006 287 H CA -0.369 55.607 56.048 -0.121 0.000 1.222 287 H CB 1.503 31.213 29.762 -0.087 0.000 1.419 287 H HN 0.578 nan 8.280 nan 0.000 0.489 288 L N 5.921 126.992 121.223 -0.253 0.000 2.409 288 L HA 0.538 4.878 4.340 0.001 0.000 0.272 288 L C -2.707 173.957 176.870 -0.343 0.000 0.980 288 L CA -2.121 52.463 54.840 -0.426 0.000 0.826 288 L CB 1.940 43.553 42.059 -0.743 0.000 1.268 288 L HN 0.359 nan 8.230 nan 0.000 0.407 289 P HA 0.043 nan 4.420 nan 0.000 0.268 289 P C -1.437 175.805 177.300 -0.097 0.000 1.204 289 P CA -0.235 62.846 63.100 -0.032 0.000 0.768 289 P CB 0.574 32.378 31.700 0.173 0.000 0.842 290 K N 5.383 125.727 120.400 -0.092 0.000 2.250 290 K HA 0.363 4.683 4.320 0.001 0.000 0.280 290 K C -0.061 176.512 176.600 -0.044 0.000 1.098 290 K CA -0.522 55.716 56.287 -0.081 0.000 0.916 290 K CB -0.289 32.161 32.500 -0.084 0.000 1.209 290 K HN 0.496 nan 8.250 nan 0.000 0.461 291 L N -0.496 120.704 121.223 -0.037 0.000 2.389 291 L HA 0.699 5.039 4.340 0.001 0.000 0.249 291 L C -1.151 175.680 176.870 -0.066 0.000 1.083 291 L CA -0.986 53.828 54.840 -0.043 0.000 0.876 291 L CB 1.850 43.891 42.059 -0.029 0.000 1.489 291 L HN 0.429 nan 8.230 nan 0.000 0.412 292 S N 1.035 116.695 115.700 -0.066 0.000 2.776 292 S HA 0.677 5.148 4.470 0.001 0.000 0.284 292 S C -0.792 173.766 174.600 -0.070 0.000 1.160 292 S CA -0.638 57.516 58.200 -0.076 0.000 1.051 292 S CB 0.629 63.809 63.200 -0.034 0.000 1.037 292 S HN 0.693 nan 8.310 nan 0.000 0.485 293 I N 2.061 122.560 120.570 -0.117 0.000 2.957 293 I HA 0.932 5.102 4.170 0.001 0.000 0.310 293 I C -0.369 175.720 176.117 -0.045 0.000 1.063 293 I CA -0.740 60.520 61.300 -0.067 0.000 1.033 293 I CB 2.408 40.385 38.000 -0.038 0.000 1.230 293 I HN 0.532 nan 8.210 nan 0.000 0.447 294 T N 0.064 114.657 114.554 0.066 0.000 2.903 294 T HA 0.802 5.152 4.350 0.001 0.000 0.299 294 T C -0.450 174.377 174.700 0.212 0.000 1.093 294 T CA -0.686 61.509 62.100 0.158 0.000 1.002 294 T CB 1.598 70.525 68.868 0.098 0.000 1.127 294 T HN 1.145 nan 8.240 nan 0.000 0.488 295 G N 0.770 109.735 108.800 0.275 0.000 2.683 295 G HA2 0.581 4.541 3.960 0.001 0.000 0.299 295 G HA3 0.581 4.541 3.960 0.001 0.000 0.299 295 G C -1.005 173.812 174.900 -0.138 0.000 1.432 295 G CA -0.732 44.455 45.100 0.145 0.000 0.978 295 G HN 0.843 nan 8.290 nan 0.000 0.513 296 T N 2.047 116.265 114.554 -0.559 0.000 2.847 296 T HA 0.555 4.905 4.350 0.001 0.000 0.291 296 T C -1.274 173.033 174.700 -0.654 0.000 0.998 296 T CA -0.161 61.711 62.100 -0.380 0.000 0.967 296 T CB 0.689 69.453 68.868 -0.174 0.000 0.954 296 T HN 0.404 nan 8.240 nan 0.000 0.441 297 Y N 0.828 121.194 120.300 0.110 0.000 2.499 297 Y HA 0.471 5.023 4.550 0.003 0.000 0.347 297 Y C -0.009 175.936 175.900 0.074 0.000 0.987 297 Y CA -1.507 56.642 58.100 0.081 0.000 1.044 297 Y CB 1.312 39.822 38.460 0.082 0.000 1.245 297 Y HN 0.459 nan 8.280 nan 0.000 0.461 298 D N 2.481 122.980 120.400 0.166 0.000 2.411 298 D HA 0.183 4.823 4.640 0.001 0.000 0.225 298 D C 0.518 176.834 176.300 0.027 0.000 1.156 298 D CA 0.123 54.166 54.000 0.071 0.000 0.874 298 D CB 0.719 41.523 40.800 0.007 0.000 1.034 298 D HN 0.655 nan 8.370 nan 0.000 0.502 299 L N 3.329 124.584 121.223 0.053 0.000 2.191 299 L HA -0.130 4.211 4.340 0.001 0.000 0.212 299 L C 2.407 179.142 176.870 -0.224 0.000 1.103 299 L CA 0.839 55.672 54.840 -0.013 0.000 0.769 299 L CB -0.256 41.884 42.059 0.135 0.000 0.908 299 L HN 0.414 nan 8.230 nan 0.000 0.438 300 K N -0.159 119.979 120.400 -0.436 0.000 2.057 300 K HA -0.207 4.113 4.320 0.001 0.000 0.207 300 K C 2.409 178.691 176.600 -0.530 0.000 1.049 300 K CA 1.712 57.379 56.287 -1.033 0.000 0.931 300 K CB -0.038 31.930 32.500 -0.887 0.000 0.714 300 K HN 0.138 nan 8.250 nan 0.000 0.440 301 S N -0.193 115.339 115.700 -0.280 0.000 2.345 301 S HA -0.082 4.389 4.470 0.001 0.000 0.219 301 S C 1.954 176.475 174.600 -0.132 0.000 1.031 301 S CA 1.211 59.313 58.200 -0.163 0.000 0.984 301 S CB -0.234 62.908 63.200 -0.097 0.000 0.874 301 S HN 0.206 nan 8.310 nan 0.000 0.451 302 V N 2.347 122.187 119.914 -0.123 0.000 2.261 302 V HA -0.097 4.023 4.120 0.001 0.000 0.246 302 V C 2.391 178.403 176.094 -0.137 0.000 1.047 302 V CA 1.850 64.070 62.300 -0.134 0.000 1.015 302 V CB -0.714 31.010 31.823 -0.164 0.000 0.642 302 V HN 0.496 nan 8.190 nan 0.000 0.446 303 L N 0.326 121.467 121.223 -0.136 0.000 2.376 303 L HA 0.013 4.353 4.340 0.001 0.000 0.219 303 L C 2.538 179.401 176.870 -0.013 0.000 1.133 303 L CA 1.105 55.897 54.840 -0.080 0.000 0.816 303 L CB -1.075 40.911 42.059 -0.121 0.000 0.933 303 L HN 0.467 nan 8.230 nan 0.000 0.449 304 G N -0.481 108.286 108.800 -0.053 0.000 2.418 304 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 304 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 304 G C 1.462 176.357 174.900 -0.008 0.000 1.158 304 G CA 0.173 45.264 45.100 -0.014 0.000 0.771 304 G HN 0.272 nan 8.290 nan 0.000 0.545 305 Q N -0.099 119.679 119.800 -0.037 0.000 2.437 305 Q HA 0.132 4.473 4.340 0.001 0.000 0.210 305 Q C 2.134 178.123 176.000 -0.017 0.000 0.972 305 Q CA 0.465 56.250 55.803 -0.030 0.000 0.903 305 Q CB -0.023 28.686 28.738 -0.049 0.000 0.967 305 Q HN 0.496 nan 8.270 nan 0.000 0.486 306 L N -1.102 120.116 121.223 -0.009 0.000 2.667 306 L HA 0.225 4.565 4.340 0.001 0.000 0.232 306 L C 0.916 177.807 176.870 0.035 0.000 1.138 306 L CA 0.347 55.195 54.840 0.014 0.000 0.921 306 L CB 0.189 42.266 42.059 0.031 0.000 1.180 306 L HN 0.291 nan 8.230 nan 0.000 0.487 307 G N 0.844 109.667 108.800 0.037 0.000 2.175 307 G HA2 -0.254 3.707 3.960 0.001 0.000 0.244 307 G HA3 -0.254 3.707 3.960 0.001 0.000 0.244 307 G C 0.245 175.188 174.900 0.072 0.000 0.982 307 G CA -0.392 44.738 45.100 0.049 0.000 0.641 307 G HN 0.273 nan 8.290 nan 0.000 0.527 308 I N 2.751 123.380 120.570 0.099 0.000 2.241 308 I HA 0.310 4.480 4.170 0.001 0.000 0.294 308 I C 1.589 177.872 176.117 0.276 0.000 1.145 308 I CA 0.584 61.977 61.300 0.157 0.000 1.261 308 I CB 0.648 38.748 38.000 0.167 0.000 1.475 308 I HN 0.287 nan 8.210 nan 0.000 0.533 309 T N 0.248 114.924 114.554 0.204 0.000 2.987 309 T HA 0.123 4.473 4.350 0.001 0.000 0.248 309 T C 1.582 176.405 174.700 0.204 0.000 0.997 309 T CA -0.126 62.126 62.100 0.253 0.000 1.013 309 T CB 0.160 69.112 68.868 0.140 0.000 1.077 309 T HN 0.304 nan 8.240 nan 0.000 0.483 310 K N 0.810 121.269 120.400 0.100 0.000 2.057 310 K HA 0.052 4.373 4.320 0.001 0.000 0.207 310 K C 2.159 178.756 176.600 -0.004 0.000 1.049 310 K CA 1.223 57.540 56.287 0.050 0.000 0.931 310 K CB -0.521 31.997 32.500 0.029 0.000 0.714 310 K HN 0.192 nan 8.250 nan 0.000 0.440 311 V N 0.791 120.637 119.914 -0.112 0.000 2.720 311 V HA -0.190 3.931 4.120 0.001 0.000 0.256 311 V C 1.001 176.904 176.094 -0.318 0.000 1.082 311 V CA 1.599 63.739 62.300 -0.267 0.000 1.101 311 V CB -0.327 31.241 31.823 -0.424 0.000 0.693 311 V HN 0.185 nan 8.190 nan 0.000 0.479 312 F N 0.197 120.174 119.950 0.045 0.000 2.727 312 F HA 0.319 4.846 4.527 -0.001 0.000 0.302 312 F C 1.215 177.027 175.800 0.019 0.000 1.097 312 F CA 0.361 58.378 58.000 0.029 0.000 1.330 312 F CB -0.207 38.813 39.000 0.034 0.000 1.084 312 F HN 0.249 nan 8.300 nan 0.000 0.578 313 S N -1.162 114.624 115.700 0.144 0.000 2.689 313 S HA 0.322 4.792 4.470 0.001 0.000 0.306 313 S C 0.907 175.541 174.600 0.055 0.000 1.104 313 S CA -0.804 57.454 58.200 0.096 0.000 0.973 313 S CB 1.168 64.418 63.200 0.083 0.000 1.121 313 S HN 0.020 nan 8.310 nan 0.000 0.523 314 N N 0.952 119.678 118.700 0.043 0.000 2.348 314 N HA -0.037 4.703 4.740 0.001 0.000 0.185 314 N C 1.495 177.017 175.510 0.019 0.000 1.019 314 N CA 1.403 54.470 53.050 0.028 0.000 0.880 314 N CB -0.702 37.798 38.487 0.022 0.000 0.965 314 N HN 0.870 nan 8.380 nan 0.000 0.437 315 G N -0.369 108.443 108.800 0.021 0.000 2.985 315 G HA2 0.247 4.207 3.960 0.001 0.000 0.209 315 G HA3 0.247 4.207 3.960 0.001 0.000 0.209 315 G C 0.362 175.265 174.900 0.005 0.000 1.165 315 G CA 0.123 45.230 45.100 0.012 0.000 0.776 315 G HN 0.370 nan 8.290 nan 0.000 0.541 316 A N 0.820 123.642 122.820 0.004 0.000 2.566 316 A HA 0.271 4.591 4.320 0.001 0.000 0.245 316 A C 0.044 177.613 177.584 -0.025 0.000 1.056 316 A CA 0.048 52.077 52.037 -0.013 0.000 0.757 316 A CB 0.253 19.242 19.000 -0.017 0.000 0.979 316 A HN 0.148 nan 8.150 nan 0.000 0.508 317 D N 3.081 123.462 120.400 -0.030 0.000 2.500 317 D HA 0.319 4.959 4.640 0.001 0.000 0.219 317 D C -0.212 176.047 176.300 -0.068 0.000 1.137 317 D CA 0.011 53.986 54.000 -0.041 0.000 0.946 317 D CB 0.130 40.914 40.800 -0.028 0.000 1.022 317 D HN 0.449 nan 8.370 nan 0.000 0.518 318 L N 2.503 123.670 121.223 -0.093 0.000 3.034 318 L HA 0.056 4.396 4.340 0.001 0.000 0.245 318 L C 1.968 178.723 176.870 -0.191 0.000 1.295 318 L CA -0.137 54.608 54.840 -0.158 0.000 1.068 318 L CB 0.183 42.147 42.059 -0.159 0.000 1.426 318 L HN 0.232 nan 8.230 nan 0.000 0.531 319 S N -1.729 113.888 115.700 -0.137 0.000 2.500 319 S HA -0.103 4.367 4.470 0.001 0.000 0.239 319 S C 1.813 176.323 174.600 -0.149 0.000 0.989 319 S CA 0.932 59.057 58.200 -0.125 0.000 0.951 319 S CB -0.261 62.888 63.200 -0.086 0.000 0.759 319 S HN 0.493 nan 8.310 nan 0.000 0.523 320 G N 0.407 109.088 108.800 -0.198 0.000 2.777 320 G HA2 0.200 4.160 3.960 0.001 0.000 0.211 320 G HA3 0.200 4.160 3.960 0.001 0.000 0.211 320 G C 1.136 175.831 174.900 -0.341 0.000 1.149 320 G CA 0.529 45.505 45.100 -0.205 0.000 0.785 320 G HN 0.480 nan 8.290 nan 0.000 0.536 321 V N -0.427 119.197 119.914 -0.483 0.000 2.436 321 V HA 0.197 4.317 4.120 0.001 0.000 0.240 321 V C 1.149 177.058 176.094 -0.309 0.000 1.040 321 V CA 1.441 63.362 62.300 -0.633 0.000 1.052 321 V CB 0.450 31.797 31.823 -0.794 0.000 0.707 321 V HN 0.212 nan 8.190 nan 0.000 0.469 322 T N -0.913 113.491 114.554 -0.250 0.000 2.879 322 T HA 0.300 4.650 4.350 0.001 0.000 0.290 322 T C 0.449 175.078 174.700 -0.118 0.000 0.993 322 T CA -0.392 61.615 62.100 -0.156 0.000 0.975 322 T CB 2.143 70.925 68.868 -0.144 0.000 0.981 322 T HN 0.387 nan 8.240 nan 0.000 0.439 323 E N 2.178 122.326 120.200 -0.086 0.000 2.112 323 E HA -0.031 4.320 4.350 0.001 0.000 0.190 323 E C 1.251 177.819 176.600 -0.055 0.000 0.979 323 E CA 0.975 57.334 56.400 -0.068 0.000 0.814 323 E CB 0.378 30.046 29.700 -0.054 0.000 0.762 323 E HN 0.526 nan 8.360 nan 0.000 0.460 324 E N -0.783 119.388 120.200 -0.048 0.000 2.399 324 E HA 0.209 4.559 4.350 0.001 0.000 0.205 324 E C -0.145 176.436 176.600 -0.033 0.000 0.906 324 E CA 0.183 56.562 56.400 -0.036 0.000 0.998 324 E CB 1.061 30.744 29.700 -0.028 0.000 1.002 324 E HN 0.112 nan 8.360 nan 0.000 0.501 325 A N 2.695 125.493 122.820 -0.036 0.000 2.312 325 A HA 0.576 4.896 4.320 0.001 0.000 0.328 325 A C -2.405 175.160 177.584 -0.033 0.000 1.158 325 A CA -1.402 50.618 52.037 -0.028 0.000 0.821 325 A CB 0.192 19.180 19.000 -0.021 0.000 1.170 325 A HN -0.172 nan 8.150 nan 0.000 0.490 326 P HA 0.398 nan 4.420 nan 0.000 0.267 326 P C -0.962 176.329 177.300 -0.016 0.000 1.200 326 P CA 0.113 63.203 63.100 -0.017 0.000 0.772 326 P CB 0.421 32.117 31.700 -0.005 0.000 0.855 327 L N 1.747 122.962 121.223 -0.014 0.000 2.582 327 L HA 0.660 5.000 4.340 0.001 0.000 0.257 327 L C -1.434 175.457 176.870 0.035 0.000 0.974 327 L CA -0.519 54.322 54.840 0.003 0.000 0.851 327 L CB 1.877 43.904 42.059 -0.054 0.000 1.424 327 L HN 0.604 nan 8.230 nan 0.000 0.412 328 K N 2.508 122.967 120.400 0.099 0.000 2.575 328 K HA 0.618 4.939 4.320 0.001 0.000 0.279 328 K C -2.011 174.690 176.600 0.167 0.000 0.969 328 K CA -0.963 55.386 56.287 0.104 0.000 0.868 328 K CB 1.673 34.214 32.500 0.067 0.000 1.457 328 K HN 0.452 nan 8.250 nan 0.000 0.426 329 L N 2.790 124.045 121.223 0.054 0.000 2.268 329 L HA 0.286 4.626 4.340 0.001 0.000 0.289 329 L C 0.470 177.411 176.870 0.118 0.000 1.064 329 L CA 0.343 55.123 54.840 -0.100 0.000 0.824 329 L CB 1.003 42.835 42.059 -0.378 0.000 1.202 329 L HN 0.856 nan 8.230 nan 0.000 0.433 330 S N 2.373 118.096 115.700 0.038 0.000 2.503 330 S HA 0.214 4.684 4.470 0.001 0.000 0.217 330 S C 0.574 175.192 174.600 0.030 0.000 0.999 330 S CA -0.141 58.087 58.200 0.047 0.000 0.914 330 S CB 0.058 63.242 63.200 -0.027 0.000 0.782 330 S HN 0.473 nan 8.310 nan 0.000 0.520 331 K N 0.971 121.381 120.400 0.018 0.000 2.482 331 K HA 0.727 5.047 4.320 0.001 0.000 0.251 331 K C -1.876 174.775 176.600 0.086 0.000 0.936 331 K CA -0.257 56.049 56.287 0.032 0.000 0.791 331 K CB 2.148 34.655 32.500 0.012 0.000 1.213 331 K HN 0.129 nan 8.250 nan 0.000 0.428 332 A N 2.952 125.850 122.820 0.131 0.000 2.497 332 A HA 0.602 4.922 4.320 0.001 0.000 0.280 332 A C -1.611 176.101 177.584 0.213 0.000 1.065 332 A CA -0.605 51.568 52.037 0.228 0.000 0.781 332 A CB 0.932 20.196 19.000 0.440 0.000 1.289 332 A HN 0.341 nan 8.150 nan 0.000 0.415 333 V N 1.985 122.046 119.914 0.244 0.000 2.823 333 V HA 0.671 4.791 4.120 0.001 0.000 0.312 333 V C -0.575 175.734 176.094 0.359 0.000 1.072 333 V CA -0.618 61.832 62.300 0.251 0.000 0.937 333 V CB 2.028 33.963 31.823 0.185 0.000 1.013 333 V HN 1.022 nan 8.190 nan 0.000 0.430 334 H N 2.614 121.838 119.070 0.257 0.000 2.667 334 H HA 0.675 5.232 4.556 0.002 0.000 0.353 334 H C -0.920 174.594 175.328 0.309 0.000 1.072 334 H CA -0.637 55.594 56.048 0.305 0.000 1.214 334 H CB 1.700 31.652 29.762 0.317 0.000 1.600 334 H HN 0.670 nan 8.280 nan 0.000 0.527 335 K N 3.949 124.237 120.400 -0.186 0.000 2.471 335 K HA 0.767 5.087 4.320 0.001 0.000 0.252 335 K C -1.790 174.734 176.600 -0.127 0.000 0.938 335 K CA -0.840 55.384 56.287 -0.106 0.000 0.796 335 K CB 1.331 33.875 32.500 0.072 0.000 1.161 335 K HN 0.655 nan 8.250 nan 0.000 0.425 336 A N 3.522 126.353 122.820 0.018 0.000 2.318 336 A HA 0.620 4.940 4.320 0.001 0.000 0.317 336 A C -1.241 176.663 177.584 0.533 0.000 1.159 336 A CA -0.664 51.546 52.037 0.290 0.000 0.799 336 A CB 1.357 20.478 19.000 0.202 0.000 1.194 336 A HN 0.413 nan 8.150 nan 0.000 0.479 337 V N 3.270 123.481 119.914 0.494 0.000 2.487 337 V HA 0.573 4.693 4.120 0.001 0.000 0.298 337 V C -0.743 175.344 176.094 -0.012 0.000 1.028 337 V CA -0.485 62.004 62.300 0.315 0.000 0.860 337 V CB 1.376 33.478 31.823 0.465 0.000 0.991 337 V HN 0.852 nan 8.190 nan 0.000 0.427 338 L N 4.515 125.510 121.223 -0.382 0.000 2.385 338 L HA 0.824 5.164 4.340 0.001 0.000 0.273 338 L C -0.249 176.364 176.870 -0.429 0.000 0.990 338 L CA 0.434 54.889 54.840 -0.641 0.000 0.821 338 L CB 2.383 43.662 42.059 -1.301 0.000 1.279 338 L HN 0.662 nan 8.230 nan 0.000 0.412 339 T N 6.381 120.677 114.554 -0.429 0.000 2.809 339 T HA 0.618 4.968 4.350 0.001 0.000 0.284 339 T C -0.750 173.789 174.700 -0.269 0.000 0.992 339 T CA -0.245 61.692 62.100 -0.271 0.000 0.957 339 T CB 0.943 69.701 68.868 -0.182 0.000 0.942 339 T HN 0.322 nan 8.240 nan 0.000 0.439 340 I N 5.151 125.631 120.570 -0.150 0.000 2.418 340 I HA 0.488 4.659 4.170 0.001 0.000 0.287 340 I C -0.426 175.687 176.117 -0.006 0.000 1.008 340 I CA -0.778 60.490 61.300 -0.053 0.000 1.104 340 I CB 1.562 39.595 38.000 0.055 0.000 1.264 340 I HN 0.761 nan 8.210 nan 0.000 0.438 341 D N 3.789 124.213 120.400 0.040 0.000 2.752 341 D HA 0.280 4.921 4.640 0.001 0.000 0.313 341 D C 0.460 176.895 176.300 0.226 0.000 1.225 341 D CA -0.456 53.581 54.000 0.062 0.000 0.976 341 D CB 0.757 41.562 40.800 0.008 0.000 1.443 341 D HN 0.163 nan 8.370 nan 0.000 0.515 342 E N -0.122 120.193 120.200 0.191 0.000 2.070 342 E HA -0.038 4.313 4.350 0.001 0.000 0.197 342 E C 0.022 176.892 176.600 0.449 0.000 1.004 342 E CA 1.498 58.107 56.400 0.348 0.000 0.805 342 E CB -0.020 29.804 29.700 0.207 0.000 0.744 342 E HN 0.315 nan 8.360 nan 0.000 0.451 343 K N -1.705 118.840 120.400 0.242 0.000 2.501 343 K HA 0.371 4.692 4.320 0.001 0.000 0.252 343 K C 0.455 177.078 176.600 0.039 0.000 0.934 343 K CA -0.115 56.275 56.287 0.171 0.000 0.797 343 K CB 2.107 34.685 32.500 0.131 0.000 1.270 343 K HN 0.089 nan 8.250 nan 0.000 0.431 344 G N 0.537 109.316 108.800 -0.034 0.000 2.534 344 G HA2 -0.096 3.864 3.960 0.001 0.000 0.217 344 G HA3 -0.096 3.864 3.960 0.001 0.000 0.217 344 G C 0.478 175.343 174.900 -0.058 0.000 1.128 344 G CA 1.113 46.142 45.100 -0.119 0.000 0.784 344 G HN 0.474 nan 8.290 nan 0.000 0.542 345 T N -1.699 112.850 114.554 -0.009 0.000 2.816 345 T HA 0.364 4.715 4.350 0.001 0.000 0.299 345 T C 0.096 174.808 174.700 0.020 0.000 1.230 345 T CA -0.532 61.570 62.100 0.003 0.000 1.007 345 T CB 1.711 70.582 68.868 0.006 0.000 1.289 345 T HN 0.070 nan 8.240 nan 0.000 0.508 346 E N 0.755 120.965 120.200 0.016 0.000 2.502 346 E HA 0.258 4.609 4.350 0.001 0.000 0.194 346 E C 0.532 177.145 176.600 0.022 0.000 1.062 346 E CA -0.088 56.324 56.400 0.019 0.000 0.867 346 E CB 0.220 29.928 29.700 0.013 0.000 0.888 346 E HN 0.578 nan 8.360 nan 0.000 0.510 347 A N 1.921 124.755 122.820 0.024 0.000 2.544 347 A HA 0.434 4.754 4.320 0.001 0.000 0.301 347 A C 0.420 178.024 177.584 0.034 0.000 1.368 347 A CA -0.223 51.830 52.037 0.026 0.000 1.045 347 A CB -0.268 18.747 19.000 0.026 0.000 1.129 347 A HN 0.213 nan 8.150 nan 0.000 0.540 348 A N 2.912 125.750 122.820 0.029 0.000 2.580 348 A HA 0.430 4.751 4.320 0.001 0.000 0.244 348 A C 1.020 178.629 177.584 0.042 0.000 1.045 348 A CA 0.688 52.744 52.037 0.032 0.000 0.761 348 A CB -0.221 18.790 19.000 0.019 0.000 0.962 348 A HN 1.493 nan 8.150 nan 0.000 0.512 349 G N 0.860 109.696 108.800 0.059 0.000 2.476 349 G HA2 0.615 4.575 3.960 0.001 0.000 0.286 349 G HA3 0.615 4.575 3.960 0.001 0.000 0.286 349 G C 0.453 175.400 174.900 0.079 0.000 1.177 349 G CA -0.030 45.118 45.100 0.081 0.000 0.870 349 G HN 1.633 nan 8.290 nan 0.000 0.528 350 A N 1.431 124.306 122.820 0.092 0.000 2.561 350 A HA 0.380 4.700 4.320 0.001 0.000 0.234 350 A C 0.862 178.520 177.584 0.123 0.000 1.055 350 A CA 0.281 52.371 52.037 0.090 0.000 0.756 350 A CB -0.077 18.978 19.000 0.090 0.000 0.986 350 A HN 0.652 nan 8.150 nan 0.000 0.505 351 M N 1.413 121.047 119.600 0.057 0.000 2.255 351 M HA 0.548 5.028 4.480 0.001 0.000 0.336 351 M C -0.400 175.949 176.300 0.083 0.000 1.135 351 M CA 0.410 55.695 55.300 -0.025 0.000 1.145 351 M CB 0.469 33.025 32.600 -0.073 0.000 1.473 351 M HN 0.724 nan 8.290 nan 0.000 0.462 352 F N -0.073 119.858 119.950 -0.032 0.000 2.686 352 F HA 0.811 5.338 4.527 0.001 0.000 0.311 352 F C -2.162 173.607 175.800 -0.052 0.000 1.128 352 F CA -1.372 56.604 58.000 -0.040 0.000 0.946 352 F CB 1.208 40.180 39.000 -0.046 0.000 1.336 352 F HN 0.350 nan 8.300 nan 0.000 0.457 353 L N 1.859 123.179 121.223 0.163 0.000 2.381 353 L HA 0.527 4.868 4.340 0.001 0.000 0.274 353 L C -0.992 175.947 176.870 0.115 0.000 0.988 353 L CA -0.657 54.211 54.840 0.046 0.000 0.824 353 L CB 2.140 44.204 42.059 0.008 0.000 1.263 353 L HN 0.711 nan 8.230 nan 0.000 0.410 354 E N 2.071 122.313 120.200 0.071 0.000 2.204 354 E HA 0.573 4.923 4.350 0.001 0.000 0.276 354 E C -0.529 176.066 176.600 -0.009 0.000 0.974 354 E CA -0.818 55.603 56.400 0.036 0.000 0.815 354 E CB 2.353 32.055 29.700 0.003 0.000 1.119 354 E HN 0.631 nan 8.360 nan 0.000 0.393 355 A N 4.169 126.980 122.820 -0.014 0.000 2.391 355 A HA 0.318 4.639 4.320 0.001 0.000 0.316 355 A C -0.227 177.344 177.584 -0.021 0.000 1.381 355 A CA -0.378 51.650 52.037 -0.016 0.000 0.998 355 A CB -0.529 18.465 19.000 -0.010 0.000 1.147 355 A HN 0.548 nan 8.150 nan 0.000 0.545 356 I N 4.248 124.804 120.570 -0.024 0.000 2.315 356 I HA 0.278 4.449 4.170 0.001 0.000 0.291 356 I C -1.777 174.335 176.117 -0.009 0.000 1.006 356 I CA -1.782 59.506 61.300 -0.020 0.000 1.265 356 I CB 1.242 39.226 38.000 -0.026 0.000 1.387 356 I HN 0.471 nan 8.210 nan 0.000 0.475 357 P HA 0.145 nan 4.420 nan 0.000 0.272 357 P C 0.499 177.802 177.300 0.005 0.000 1.240 357 P CA -0.437 62.666 63.100 0.004 0.000 0.791 357 P CB 0.463 32.169 31.700 0.010 0.000 0.978 358 M N -1.231 118.372 119.600 0.005 0.000 2.561 358 M HA 0.108 4.588 4.480 0.001 0.000 0.238 358 M C 0.506 176.811 176.300 0.009 0.000 1.131 358 M CA -0.040 55.263 55.300 0.005 0.000 1.046 358 M CB -0.484 32.117 32.600 0.003 0.000 1.532 358 M HN 0.234 nan 8.290 nan 0.000 0.497 359 S N 0.933 116.640 115.700 0.013 0.000 2.632 359 S HA 0.412 4.883 4.470 0.001 0.000 0.267 359 S C 0.302 174.913 174.600 0.018 0.000 1.276 359 S CA -0.854 57.355 58.200 0.016 0.000 0.998 359 S CB 1.010 64.222 63.200 0.019 0.000 0.953 359 S HN 0.278 nan 8.310 nan 0.000 0.547 360 I N 3.588 124.169 120.570 0.018 0.000 2.581 360 I HA 0.203 4.373 4.170 0.001 0.000 0.285 360 I C -1.666 174.467 176.117 0.025 0.000 1.129 360 I CA -1.693 59.618 61.300 0.019 0.000 1.397 360 I CB -0.297 37.712 38.000 0.015 0.000 1.399 360 I HN 0.615 nan 8.210 nan 0.000 0.537 361 P HA 0.341 nan 4.420 nan 0.000 0.284 361 P C -2.616 174.692 177.300 0.013 0.000 1.253 361 P CA -1.531 61.587 63.100 0.031 0.000 0.800 361 P CB 0.187 31.910 31.700 0.038 0.000 0.961 362 P HA 0.135 nan 4.420 nan 0.000 0.271 362 P C -0.314 176.909 177.300 -0.128 0.000 1.216 362 P CA 0.120 63.192 63.100 -0.046 0.000 0.776 362 P CB 0.841 32.525 31.700 -0.025 0.000 0.881 363 E N 1.819 121.926 120.200 -0.156 0.000 2.044 363 E HA 0.296 4.647 4.350 0.001 0.000 0.282 363 E C -1.004 175.379 176.600 -0.362 0.000 1.031 363 E CA -0.646 55.637 56.400 -0.195 0.000 0.824 363 E CB 0.479 30.073 29.700 -0.178 0.000 1.076 363 E HN 0.143 nan 8.360 nan 0.000 0.395 364 V N 6.085 125.747 119.914 -0.419 0.000 2.313 364 V HA 0.286 4.406 4.120 0.001 0.000 0.278 364 V C -0.237 175.610 176.094 -0.411 0.000 1.017 364 V CA -0.705 61.212 62.300 -0.638 0.000 0.823 364 V CB 1.146 32.432 31.823 -0.896 0.000 1.010 364 V HN 0.569 nan 8.190 nan 0.000 0.443 365 K N 4.373 124.507 120.400 -0.443 0.000 2.274 365 K HA 0.530 4.851 4.320 0.001 0.000 0.262 365 K C -0.981 175.410 176.600 -0.348 0.000 0.961 365 K CA -0.528 55.586 56.287 -0.289 0.000 0.833 365 K CB 1.819 34.119 32.500 -0.334 0.000 1.102 365 K HN 0.451 nan 8.250 nan 0.000 0.436 366 F N 3.434 123.226 119.950 -0.264 0.000 2.606 366 F HA 0.078 4.605 4.527 -0.001 0.000 0.347 366 F C 0.795 176.527 175.800 -0.114 0.000 1.207 366 F CA -0.648 57.184 58.000 -0.281 0.000 1.306 366 F CB -0.244 38.385 39.000 -0.619 0.000 1.657 366 F HN 0.453 nan 8.300 nan 0.000 0.606 367 N N 1.561 120.146 118.700 -0.192 0.000 2.458 367 N HA 0.146 4.886 4.740 0.001 0.000 0.274 367 N C -0.649 174.302 175.510 -0.931 0.000 1.242 367 N CA -0.391 52.401 53.050 -0.432 0.000 0.904 367 N CB 0.163 38.572 38.487 -0.129 0.000 1.206 367 N HN 0.539 nan 8.380 nan 0.000 0.510 368 K N -2.568 117.213 120.400 -1.031 0.000 2.642 368 K HA 0.450 4.770 4.320 0.001 0.000 0.290 368 K C -3.460 173.153 176.600 0.022 0.000 1.006 368 K CA -1.542 54.372 56.287 -0.621 0.000 0.869 368 K CB 0.460 32.829 32.500 -0.218 0.000 1.499 368 K HN -0.285 nan 8.250 nan 0.000 0.403 369 P HA -0.055 nan 4.420 nan 0.000 0.259 369 P C -1.179 176.371 177.300 0.417 0.000 1.163 369 P CA 0.522 63.841 63.100 0.365 0.000 0.760 369 P CB -0.157 31.698 31.700 0.259 0.000 0.762 370 F N 1.438 121.638 119.950 0.418 0.000 2.626 370 F HA 0.733 5.260 4.527 -0.001 0.000 0.311 370 F C -1.489 174.614 175.800 0.504 0.000 1.088 370 F CA -1.473 56.799 58.000 0.453 0.000 0.949 370 F CB 0.765 40.117 39.000 0.587 0.000 1.322 370 F HN -0.021 nan 8.300 nan 0.000 0.461 371 V N 2.432 122.778 119.914 0.720 0.000 2.732 371 V HA 0.734 4.855 4.120 0.001 0.000 0.310 371 V C -0.633 175.941 176.094 0.801 0.000 1.053 371 V CA -0.739 61.882 62.300 0.535 0.000 0.957 371 V CB 1.643 33.625 31.823 0.265 0.000 1.018 371 V HN 0.885 nan 8.190 nan 0.000 0.452 372 F N 2.894 123.109 119.950 0.440 0.000 2.662 372 F HA 0.924 5.452 4.527 0.002 0.000 0.312 372 F C -1.873 174.046 175.800 0.198 0.000 1.113 372 F CA -1.229 56.956 58.000 0.307 0.000 0.951 372 F CB 1.689 40.791 39.000 0.170 0.000 1.344 372 F HN 0.394 nan 8.300 nan 0.000 0.462 373 L N 2.563 124.010 121.223 0.373 0.000 2.482 373 L HA 0.670 5.010 4.340 0.001 0.000 0.263 373 L C -1.560 175.464 176.870 0.256 0.000 0.957 373 L CA -0.970 54.012 54.840 0.236 0.000 0.836 373 L CB 2.272 44.465 42.059 0.224 0.000 1.324 373 L HN 0.852 nan 8.230 nan 0.000 0.406 374 M N 5.126 124.883 119.600 0.261 0.000 2.227 374 M HA 0.596 5.076 4.480 0.001 0.000 0.335 374 M C -0.854 175.506 176.300 0.100 0.000 1.053 374 M CA -0.086 55.358 55.300 0.240 0.000 0.973 374 M CB 1.647 34.455 32.600 0.346 0.000 1.623 374 M HN 0.176 nan 8.290 nan 0.000 0.434 375 I N 1.929 122.559 120.570 0.100 0.000 2.441 375 I HA 0.377 4.547 4.170 0.001 0.000 0.295 375 I C 0.160 176.304 176.117 0.045 0.000 0.994 375 I CA -0.638 60.697 61.300 0.057 0.000 1.144 375 I CB 1.626 39.682 38.000 0.094 0.000 1.314 375 I HN 0.618 nan 8.210 nan 0.000 0.445 376 E N 5.079 125.282 120.200 0.005 0.000 2.259 376 E HA 0.128 4.478 4.350 0.001 0.000 0.281 376 E C 0.529 177.149 176.600 0.033 0.000 1.037 376 E CA -0.070 56.334 56.400 0.006 0.000 0.854 376 E CB 1.202 30.885 29.700 -0.028 0.000 1.051 376 E HN 0.524 nan 8.360 nan 0.000 0.409 377 Q N 3.105 122.929 119.800 0.040 0.000 2.084 377 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 377 Q C 1.411 177.414 176.000 0.004 0.000 0.978 377 Q CA 1.414 57.236 55.803 0.031 0.000 0.844 377 Q CB 0.110 28.866 28.738 0.030 0.000 0.898 377 Q HN 0.518 nan 8.270 nan 0.000 0.426 378 N N -0.027 118.670 118.700 -0.005 0.000 2.051 378 N HA -0.127 4.613 4.740 0.001 0.000 0.192 378 N C 2.078 177.615 175.510 0.044 0.000 1.049 378 N CA 2.192 55.224 53.050 -0.030 0.000 0.845 378 N CB -0.702 37.775 38.487 -0.016 0.000 1.031 378 N HN 0.389 nan 8.380 nan 0.000 0.425 379 T N -1.542 113.054 114.554 0.071 0.000 2.985 379 T HA 0.084 4.435 4.350 0.001 0.000 0.266 379 T C 0.645 175.415 174.700 0.115 0.000 1.076 379 T CA 0.688 62.854 62.100 0.111 0.000 1.135 379 T CB 0.076 68.969 68.868 0.042 0.000 0.890 379 T HN 0.277 nan 8.240 nan 0.000 0.480 380 K N 0.626 121.077 120.400 0.086 0.000 3.339 380 K HA -0.115 4.205 4.320 0.001 0.000 0.299 380 K C -0.408 176.230 176.600 0.063 0.000 1.270 380 K CA 0.372 56.720 56.287 0.102 0.000 0.875 380 K CB -2.302 30.301 32.500 0.170 0.000 1.298 380 K HN 0.466 nan 8.250 nan 0.000 0.485 381 S N 2.018 117.721 115.700 0.006 0.000 2.565 381 S HA 0.207 4.677 4.470 0.001 0.000 0.276 381 S C -1.962 172.594 174.600 -0.073 0.000 1.326 381 S CA -0.954 57.215 58.200 -0.052 0.000 1.045 381 S CB 0.732 63.892 63.200 -0.066 0.000 0.918 381 S HN 0.043 nan 8.310 nan 0.000 0.505 382 P HA 0.198 nan 4.420 nan 0.000 0.268 382 P C 0.363 177.532 177.300 -0.218 0.000 1.541 382 P CA -0.145 62.868 63.100 -0.145 0.000 1.093 382 P CB 0.106 31.683 31.700 -0.204 0.000 1.551 383 L N 2.055 123.117 121.223 -0.269 0.000 2.046 383 L HA -0.050 4.291 4.340 0.001 0.000 0.208 383 L C 0.540 176.869 176.870 -0.902 0.000 1.077 383 L CA 1.751 56.255 54.840 -0.561 0.000 0.747 383 L CB -0.271 41.426 42.059 -0.603 0.000 0.896 383 L HN 0.196 nan 8.230 nan 0.000 0.432 384 F N -2.068 117.769 119.950 -0.189 0.000 2.613 384 F HA 0.560 5.087 4.527 0.001 0.000 0.310 384 F C -0.215 175.369 175.800 -0.360 0.000 1.085 384 F CA -0.738 57.083 58.000 -0.300 0.000 0.945 384 F CB 1.734 40.700 39.000 -0.058 0.000 1.298 384 F HN -0.332 nan 8.300 nan 0.000 0.455 385 M N 1.176 120.478 119.600 -0.497 0.000 2.421 385 M HA 0.781 5.261 4.480 0.001 0.000 0.287 385 M C -1.084 174.827 176.300 -0.649 0.000 1.183 385 M CA -0.082 54.863 55.300 -0.591 0.000 0.916 385 M CB 2.509 34.725 32.600 -0.638 0.000 1.701 385 M HN 0.825 nan 8.290 nan 0.000 0.470 386 G N 2.379 110.750 108.800 -0.716 0.000 2.606 386 G HA2 0.532 4.493 3.960 0.001 0.000 0.300 386 G HA3 0.532 4.493 3.960 0.001 0.000 0.300 386 G C -2.412 172.344 174.900 -0.240 0.000 1.360 386 G CA -0.629 44.205 45.100 -0.442 0.000 0.783 386 G HN 0.666 nan 8.290 nan 0.000 0.484 387 K N -0.035 120.419 120.400 0.089 0.000 2.553 387 K HA 0.545 4.866 4.320 0.001 0.000 0.250 387 K C -1.573 175.098 176.600 0.118 0.000 0.953 387 K CA -0.564 55.824 56.287 0.169 0.000 0.800 387 K CB 2.580 35.243 32.500 0.272 0.000 1.243 387 K HN 0.314 nan 8.250 nan 0.000 0.435 388 V N 5.014 124.877 119.914 -0.085 0.000 2.333 388 V HA 0.147 4.267 4.120 0.001 0.000 0.274 388 V C 0.855 176.906 176.094 -0.072 0.000 1.028 388 V CA -0.437 61.756 62.300 -0.179 0.000 0.851 388 V CB 1.245 32.766 31.823 -0.504 0.000 1.000 388 V HN 0.684 nan 8.190 nan 0.000 0.456 389 V N 3.367 123.294 119.914 0.021 0.000 2.825 389 V HA 0.217 4.337 4.120 0.001 0.000 0.246 389 V C 0.633 176.772 176.094 0.076 0.000 1.068 389 V CA 0.823 63.186 62.300 0.106 0.000 1.088 389 V CB -0.020 31.856 31.823 0.089 0.000 0.733 389 V HN 0.878 nan 8.190 nan 0.000 0.468 390 N N -0.758 117.875 118.700 -0.112 0.000 2.616 390 N HA 0.252 4.993 4.740 0.001 0.000 0.281 390 N C -2.477 172.833 175.510 -0.333 0.000 1.145 390 N CA -1.244 51.627 53.050 -0.300 0.000 0.919 390 N CB 2.195 40.614 38.487 -0.113 0.000 1.509 390 N HN -0.185 nan 8.380 nan 0.000 0.537 391 P HA -0.112 nan 4.420 nan 0.000 0.215 391 P C 0.544 177.739 177.300 -0.175 0.000 1.157 391 P CA 1.765 64.681 63.100 -0.307 0.000 0.874 391 P CB -0.060 31.437 31.700 -0.339 0.000 0.790 392 T N -2.968 111.483 114.554 -0.171 0.000 3.565 392 T HA 0.034 4.385 4.350 0.001 0.000 0.248 392 T C 0.480 175.138 174.700 -0.071 0.000 1.033 392 T CA -0.157 61.886 62.100 -0.095 0.000 0.952 392 T CB -0.817 68.008 68.868 -0.072 0.000 1.072 392 T HN 0.095 nan 8.240 nan 0.000 0.609 393 Q N 1.339 121.095 119.800 -0.073 0.000 2.357 393 Q HA 0.521 4.862 4.340 0.001 0.000 0.266 393 Q C -0.870 175.113 176.000 -0.028 0.000 1.021 393 Q CA -0.503 55.274 55.803 -0.043 0.000 0.784 393 Q CB 1.172 29.887 28.738 -0.037 0.000 1.243 393 Q HN 0.560 nan 8.270 nan 0.000 0.465 394 K N 0.000 120.388 120.400 -0.020 0.000 2.780 394 K HA 0.000 4.320 4.320 0.001 0.000 0.191 394 K CA 0.000 56.279 56.287 -0.013 0.000 0.838 394 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 394 K HN 0.000 nan 8.250 nan 0.000 0.543