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 1ld8_1_A DATA FIRST_RESID 55 DATA SEQUENCE FVSLDSPSYV LYRDRAEWAD IDPVPQNDGP NPVVQIIYSD KFRDVYDYFR DATA SEQUENCE AVLQRDERSE RAFKLTRDAI ELNAANYTVW HFRRVLLKSL QKDLHEEMNY DATA SEQUENCE ITAIIEEQPK NYQVWHHRRV LVEWLRDPSQ ELEFIADILN QDAKNYHAWQ DATA SEQUENCE HRQWVIQEFK LWDNELQYVD QLLKEDVRNN SVWNQRYFVI SNTTGYNDRA DATA SEQUENCE VLEREVQYTL EMIKLVPHNE SAWNYLKGIL QDRGLSKYPN LLNQLLDLQP DATA SEQUENCE SHSSPYLIAF LVDIYEDMLE NQCDNKEDIL NKALELCEIL AKEKDTIRKE DATA SEQUENCE YWRYIGRSLQ SKH 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 55 F HA 0.000 nan 4.527 nan 0.000 0.279 55 F C 0.000 175.812 175.800 0.020 0.000 0.967 55 F CA 0.000 58.009 58.000 0.015 0.000 1.383 55 F CB 0.000 39.007 39.000 0.012 0.000 1.145 56 V N 1.031 121.100 119.914 0.259 0.000 2.686 56 V HA 0.397 4.517 4.120 -0.000 0.000 0.306 56 V C -0.273 175.939 176.094 0.196 0.000 1.065 56 V CA -0.699 61.705 62.300 0.174 0.000 0.894 56 V CB 1.591 33.495 31.823 0.136 0.000 1.004 56 V HN 0.298 nan 8.190 nan 0.000 0.424 57 S N 2.949 118.727 115.700 0.130 0.000 2.632 57 S HA 0.446 4.916 4.470 -0.000 0.000 0.267 57 S C 1.114 175.671 174.600 -0.072 0.000 1.276 57 S CA -0.463 57.766 58.200 0.048 0.000 0.998 57 S CB 0.898 64.106 63.200 0.013 0.000 0.953 57 S HN 0.630 nan 8.310 nan 0.000 0.547 58 L N 1.766 122.814 121.223 -0.291 0.000 2.191 58 L HA -0.088 4.251 4.340 -0.000 0.000 0.212 58 L C 1.023 177.590 176.870 -0.504 0.000 1.103 58 L CA 1.440 55.836 54.840 -0.740 0.000 0.769 58 L CB -0.306 41.475 42.059 -0.463 0.000 0.908 58 L HN 0.686 nan 8.230 nan 0.000 0.438 59 D N -1.961 118.310 120.400 -0.215 0.000 2.369 59 D HA 0.034 4.674 4.640 -0.000 0.000 0.211 59 D C 0.587 176.864 176.300 -0.038 0.000 1.077 59 D CA 0.014 53.948 54.000 -0.109 0.000 0.842 59 D CB 0.333 41.095 40.800 -0.063 0.000 0.947 59 D HN 0.028 nan 8.370 nan 0.000 0.509 60 S N 2.179 117.874 115.700 -0.008 0.000 2.562 60 S HA 0.048 4.518 4.470 -0.000 0.000 0.281 60 S C -1.183 173.457 174.600 0.066 0.000 1.333 60 S CA -0.919 57.307 58.200 0.043 0.000 1.052 60 S CB 1.052 64.299 63.200 0.077 0.000 0.884 60 S HN 0.175 nan 8.310 nan 0.000 0.506 61 P HA -0.095 nan 4.420 nan 0.000 0.219 61 P C 0.879 178.208 177.300 0.049 0.000 1.146 61 P CA 1.042 64.167 63.100 0.041 0.000 0.808 61 P CB -0.032 31.681 31.700 0.023 0.000 0.779 62 S N -2.709 113.020 115.700 0.048 0.000 2.597 62 S HA 0.024 4.494 4.470 -0.000 0.000 0.224 62 S C 0.479 175.097 174.600 0.030 0.000 0.955 62 S CA -0.871 57.342 58.200 0.022 0.000 0.933 62 S CB -1.279 61.916 63.200 -0.009 0.000 0.788 62 S HN 0.028 nan 8.310 nan 0.000 0.488 63 Y N 2.146 122.420 120.300 -0.044 0.000 2.610 63 Y HA 0.390 4.939 4.550 -0.000 0.000 0.332 63 Y C -0.369 175.482 175.900 -0.081 0.000 1.201 63 Y CA -0.019 58.044 58.100 -0.063 0.000 1.465 63 Y CB 0.500 38.934 38.460 -0.044 0.000 1.283 63 Y HN 0.085 nan 8.280 nan 0.000 0.563 64 V N 7.794 127.233 119.914 -0.793 0.000 2.604 64 V HA 0.262 4.382 4.120 -0.000 0.000 0.305 64 V C -0.187 175.367 176.094 -0.900 0.000 1.043 64 V CA -1.300 60.635 62.300 -0.608 0.000 0.888 64 V CB 1.706 33.288 31.823 -0.402 0.000 0.995 64 V HN 0.682 nan 8.190 nan 0.000 0.429 65 L N 3.495 124.440 121.223 -0.463 0.000 2.483 65 L HA 0.093 4.433 4.340 -0.000 0.000 0.276 65 L C 1.080 177.695 176.870 -0.425 0.000 1.213 65 L CA 0.132 54.793 54.840 -0.299 0.000 0.843 65 L CB 0.069 42.093 42.059 -0.059 0.000 1.107 65 L HN 0.689 nan 8.230 nan 0.000 0.487 66 Y N 1.527 121.516 120.300 -0.517 0.000 2.256 66 Y HA -0.232 4.317 4.550 -0.000 0.000 0.288 66 Y C 2.444 177.899 175.900 -0.741 0.000 1.155 66 Y CA 1.540 59.123 58.100 -0.862 0.000 1.203 66 Y CB -0.340 37.260 38.460 -1.434 0.000 0.980 66 Y HN 0.553 nan 8.280 nan 0.000 0.530 67 R N -0.320 120.037 120.500 -0.238 0.000 2.285 67 R HA -0.081 4.259 4.340 -0.000 0.000 0.213 67 R C 0.358 176.662 176.300 0.006 0.000 1.068 67 R CA 1.695 57.824 56.100 0.048 0.000 1.004 67 R CB -0.225 30.194 30.300 0.198 0.000 0.873 67 R HN 0.187 nan 8.270 nan 0.000 0.467 68 D N 0.498 120.844 120.400 -0.090 0.000 2.398 68 D HA 0.077 4.717 4.640 -0.000 0.000 0.210 68 D C -0.156 176.092 176.300 -0.087 0.000 1.094 68 D CA 0.056 54.014 54.000 -0.071 0.000 0.839 68 D CB 0.378 41.124 40.800 -0.089 0.000 0.963 68 D HN 0.192 nan 8.370 nan 0.000 0.506 69 R N 0.752 121.181 120.500 -0.118 0.000 2.265 69 R HA 0.452 4.792 4.340 -0.000 0.000 0.314 69 R C 1.022 177.358 176.300 0.059 0.000 1.053 69 R CA -0.211 55.855 56.100 -0.057 0.000 0.931 69 R CB 1.384 31.634 30.300 -0.083 0.000 1.024 69 R HN -0.110 nan 8.270 nan 0.000 0.457 70 A N 3.657 126.496 122.820 0.032 0.000 1.933 70 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 70 A C 1.735 179.349 177.584 0.049 0.000 1.175 70 A CA 1.423 53.483 52.037 0.039 0.000 0.628 70 A CB -0.231 18.775 19.000 0.009 0.000 0.814 70 A HN 0.853 nan 8.150 nan 0.000 0.444 71 E N -1.777 118.450 120.200 0.045 0.000 2.516 71 E HA -0.173 4.177 4.350 -0.000 0.000 0.199 71 E C 0.698 177.213 176.600 -0.143 0.000 1.069 71 E CA 0.582 56.955 56.400 -0.045 0.000 0.876 71 E CB -0.313 29.348 29.700 -0.064 0.000 0.843 71 E HN 0.859 nan 8.360 nan 0.000 0.530 72 W N -0.109 121.191 121.300 0.001 0.000 2.870 72 W HA 0.514 5.173 4.660 -0.000 0.000 0.358 72 W C 1.979 178.562 176.519 0.106 0.000 1.043 72 W CA 0.139 57.515 57.345 0.050 0.000 1.692 72 W CB 0.647 30.090 29.460 -0.028 0.000 1.100 72 W HN 0.127 nan 8.180 nan 0.000 0.557 73 A N 0.782 123.738 122.820 0.227 0.000 2.070 73 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 73 A C 1.837 179.510 177.584 0.147 0.000 1.159 73 A CA 2.018 54.163 52.037 0.180 0.000 0.656 73 A CB -0.601 18.461 19.000 0.104 0.000 0.800 73 A HN 0.399 nan 8.150 nan 0.000 0.453 74 D N -0.914 119.551 120.400 0.108 0.000 2.348 74 D HA -0.002 4.638 4.640 -0.000 0.000 0.216 74 D C 0.672 177.025 176.300 0.089 0.000 0.970 74 D CA 0.331 54.371 54.000 0.067 0.000 0.889 74 D CB -0.020 40.789 40.800 0.015 0.000 0.912 74 D HN 0.485 nan 8.370 nan 0.000 0.524 75 I N 1.237 121.909 120.570 0.170 0.000 2.474 75 I HA 0.139 4.309 4.170 -0.000 0.000 0.294 75 I C -1.105 175.107 176.117 0.159 0.000 1.005 75 I CA -0.814 60.585 61.300 0.164 0.000 1.113 75 I CB 1.925 40.058 38.000 0.222 0.000 1.289 75 I HN -0.295 nan 8.210 nan 0.000 0.436 76 D N 9.148 129.570 120.400 0.036 0.000 2.304 76 D HA 0.292 4.932 4.640 -0.000 0.000 0.250 76 D C -2.239 173.930 176.300 -0.219 0.000 1.107 76 D CA -0.810 53.159 54.000 -0.050 0.000 0.885 76 D CB 1.151 41.928 40.800 -0.039 0.000 1.192 76 D HN 0.357 nan 8.370 nan 0.000 0.436 77 P HA 0.065 nan 4.420 nan 0.000 0.271 77 P C -0.476 176.633 177.300 -0.317 0.000 1.218 77 P CA -0.384 62.311 63.100 -0.675 0.000 0.780 77 P CB 1.023 32.210 31.700 -0.855 0.000 0.901 78 V N 5.080 124.834 119.914 -0.266 0.000 2.313 78 V HA 0.236 4.356 4.120 -0.000 0.000 0.278 78 V C -2.049 173.979 176.094 -0.109 0.000 1.017 78 V CA -1.929 60.279 62.300 -0.153 0.000 0.823 78 V CB 0.964 32.706 31.823 -0.135 0.000 1.010 78 V HN 0.536 nan 8.190 nan 0.000 0.443 79 P HA 0.086 nan 4.420 nan 0.000 0.269 79 P C -0.547 176.744 177.300 -0.016 0.000 1.215 79 P CA -0.156 62.923 63.100 -0.034 0.000 0.780 79 P CB 0.484 32.173 31.700 -0.017 0.000 0.898 80 Q N 2.257 122.060 119.800 0.006 0.000 2.288 80 Q HA 0.145 4.485 4.340 -0.000 0.000 0.258 80 Q C -0.489 175.531 176.000 0.033 0.000 0.957 80 Q CA -0.451 55.364 55.803 0.021 0.000 0.919 80 Q CB 0.135 28.892 28.738 0.032 0.000 1.185 80 Q HN 0.220 nan 8.270 nan 0.000 0.408 81 N N 3.690 122.405 118.700 0.025 0.000 2.500 81 N HA 0.073 4.813 4.740 -0.000 0.000 0.236 81 N C -0.857 174.673 175.510 0.033 0.000 1.022 81 N CA -0.200 52.865 53.050 0.025 0.000 0.935 81 N CB 0.952 39.446 38.487 0.013 0.000 1.147 81 N HN 0.541 nan 8.380 nan 0.000 0.512 82 D N 2.642 123.066 120.400 0.040 0.000 2.339 82 D HA 0.211 4.851 4.640 -0.000 0.000 0.217 82 D C 0.719 177.034 176.300 0.024 0.000 1.050 82 D CA 0.611 54.634 54.000 0.038 0.000 0.856 82 D CB -0.104 40.725 40.800 0.048 0.000 0.922 82 D HN 0.779 nan 8.370 nan 0.000 0.518 83 G N 1.815 110.627 108.800 0.020 0.000 2.707 83 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.686 83 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.686 83 G C -1.686 173.221 174.900 0.012 0.000 1.315 83 G CA -0.326 44.783 45.100 0.014 0.000 0.832 83 G HN -0.058 nan 8.290 nan 0.000 0.573 84 P HA -0.003 nan 4.420 nan 0.000 0.219 84 P C 0.361 177.664 177.300 0.005 0.000 1.150 84 P CA 1.109 64.213 63.100 0.007 0.000 0.814 84 P CB 0.115 31.818 31.700 0.005 0.000 0.787 85 N N 1.209 119.911 118.700 0.003 0.000 2.841 85 N HA 0.225 4.965 4.740 -0.000 0.000 0.257 85 N C -2.286 173.223 175.510 -0.001 0.000 1.396 85 N CA -1.085 51.965 53.050 0.000 0.000 0.823 85 N CB 0.738 39.225 38.487 -0.001 0.000 1.162 85 N HN 0.286 nan 8.380 nan 0.000 0.503 86 P HA 0.073 nan 4.420 nan 0.000 0.268 86 P C -0.044 177.249 177.300 -0.012 0.000 1.208 86 P CA -0.103 62.995 63.100 -0.003 0.000 0.777 86 P CB 1.019 32.718 31.700 -0.002 0.000 0.875 87 V N -1.692 118.215 119.914 -0.013 0.000 3.001 87 V HA 0.443 4.563 4.120 -0.000 0.000 0.314 87 V C 0.755 176.832 176.094 -0.028 0.000 1.099 87 V CA -0.729 61.559 62.300 -0.019 0.000 0.989 87 V CB 1.225 33.041 31.823 -0.012 0.000 1.040 87 V HN 0.598 nan 8.190 nan 0.000 0.434 88 V N -1.488 118.404 119.914 -0.037 0.000 4.931 88 V HA -0.252 3.868 4.120 -0.000 0.000 0.254 88 V C 0.320 176.367 176.094 -0.078 0.000 0.620 88 V CA 1.696 63.965 62.300 -0.052 0.000 0.715 88 V CB -2.481 29.321 31.823 -0.035 0.000 0.589 88 V HN 1.484 nan 8.190 nan 0.000 0.982 89 Q N 0.698 120.444 119.800 -0.089 0.000 2.296 89 Q HA 0.582 4.922 4.340 -0.000 0.000 0.263 89 Q C 0.065 175.922 176.000 -0.238 0.000 1.026 89 Q CA -0.623 55.102 55.803 -0.129 0.000 0.912 89 Q CB 0.841 29.526 28.738 -0.088 0.000 1.198 89 Q HN 0.857 nan 8.270 nan 0.000 0.407 90 I N 5.053 125.371 120.570 -0.420 0.000 2.352 90 I HA 0.099 4.269 4.170 -0.000 0.000 0.290 90 I C 0.115 175.722 176.117 -0.850 0.000 1.036 90 I CA -0.631 60.274 61.300 -0.658 0.000 1.336 90 I CB 0.890 38.361 38.000 -0.882 0.000 1.407 90 I HN 0.560 nan 8.210 nan 0.000 0.497 91 I N 7.944 128.219 120.570 -0.492 0.000 2.270 91 I HA 0.072 4.242 4.170 -0.000 0.000 0.300 91 I C 0.151 176.089 176.117 -0.298 0.000 1.186 91 I CA -0.193 60.917 61.300 -0.317 0.000 1.431 91 I CB -1.570 36.331 38.000 -0.164 0.000 1.485 91 I HN 0.395 nan 8.210 nan 0.000 0.650 92 Y N 2.785 123.007 120.300 -0.131 0.000 2.550 92 Y HA 0.040 4.590 4.550 -0.000 0.000 0.343 92 Y C 1.672 177.552 175.900 -0.034 0.000 1.245 92 Y CA -0.090 57.909 58.100 -0.167 0.000 1.462 92 Y CB 0.312 38.720 38.460 -0.086 0.000 1.340 92 Y HN 0.576 nan 8.280 nan 0.000 0.604 93 S N -0.104 115.700 115.700 0.172 0.000 2.600 93 S HA -0.009 4.461 4.470 -0.000 0.000 0.265 93 S C 0.793 175.522 174.600 0.215 0.000 1.325 93 S CA -0.351 57.942 58.200 0.156 0.000 1.002 93 S CB 1.021 64.309 63.200 0.146 0.000 0.921 93 S HN 0.806 nan 8.310 nan 0.000 0.554 94 D N 0.631 121.127 120.400 0.161 0.000 2.117 94 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 94 D C 1.739 178.151 176.300 0.186 0.000 0.987 94 D CA 1.560 55.655 54.000 0.158 0.000 0.829 94 D CB -0.126 40.745 40.800 0.119 0.000 0.961 94 D HN 0.647 nan 8.370 nan 0.000 0.460 95 K N -0.906 119.607 120.400 0.189 0.000 2.097 95 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 95 K C 2.167 178.890 176.600 0.204 0.000 1.049 95 K CA 0.696 57.102 56.287 0.198 0.000 0.933 95 K CB -0.318 32.269 32.500 0.144 0.000 0.717 95 K HN 0.217 nan 8.250 nan 0.000 0.442 96 F N 1.974 121.985 119.950 0.102 0.000 2.075 96 F HA -0.205 4.322 4.527 -0.000 0.000 0.297 96 F C 2.667 178.525 175.800 0.096 0.000 1.113 96 F CA 1.447 59.516 58.000 0.115 0.000 1.218 96 F CB -0.042 39.032 39.000 0.123 0.000 0.984 96 F HN -0.139 nan 8.300 nan 0.000 0.472 97 R N 0.311 121.030 120.500 0.366 0.000 2.091 97 R HA -0.231 4.109 4.340 -0.000 0.000 0.238 97 R C 2.016 178.384 176.300 0.114 0.000 1.136 97 R CA 2.156 58.360 56.100 0.174 0.000 0.959 97 R CB -0.761 29.643 30.300 0.172 0.000 0.856 97 R HN 0.453 nan 8.270 nan 0.000 0.437 98 D N -0.537 119.945 120.400 0.137 0.000 2.092 98 D HA -0.160 4.480 4.640 -0.000 0.000 0.193 98 D C 1.838 178.180 176.300 0.071 0.000 0.994 98 D CA 1.778 55.867 54.000 0.149 0.000 0.828 98 D CB 0.030 40.930 40.800 0.166 0.000 0.963 98 D HN 0.085 nan 8.370 nan 0.000 0.450 99 V N -0.377 119.494 119.914 -0.071 0.000 2.287 99 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 99 V C 2.005 177.826 176.094 -0.455 0.000 1.053 99 V CA 1.736 63.802 62.300 -0.389 0.000 1.027 99 V CB -0.768 30.782 31.823 -0.455 0.000 0.646 99 V HN 0.343 nan 8.190 nan 0.000 0.447 100 Y N 0.018 120.145 120.300 -0.288 0.000 2.439 100 Y HA -0.126 4.424 4.550 -0.000 0.000 0.292 100 Y C 2.355 178.192 175.900 -0.105 0.000 1.130 100 Y CA 1.276 59.248 58.100 -0.212 0.000 1.254 100 Y CB -0.224 38.042 38.460 -0.323 0.000 1.000 100 Y HN 0.307 nan 8.280 nan 0.000 0.554 101 D N -1.276 119.120 120.400 -0.006 0.000 2.144 101 D HA -0.169 4.471 4.640 -0.000 0.000 0.200 101 D C 1.597 177.756 176.300 -0.235 0.000 0.978 101 D CA 1.426 55.369 54.000 -0.095 0.000 0.833 101 D CB -0.304 40.438 40.800 -0.097 0.000 0.961 101 D HN 0.341 nan 8.370 nan 0.000 0.470 102 Y N -0.742 119.426 120.300 -0.221 0.000 2.365 102 Y HA -0.017 4.533 4.550 -0.000 0.000 0.293 102 Y C 1.992 177.735 175.900 -0.261 0.000 1.119 102 Y CA 0.246 58.177 58.100 -0.282 0.000 1.203 102 Y CB -0.313 37.795 38.460 -0.587 0.000 1.026 102 Y HN -0.081 nan 8.280 nan 0.000 0.549 103 F N 1.072 120.833 119.950 -0.315 0.000 2.102 103 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 103 F C 2.232 177.885 175.800 -0.246 0.000 1.105 103 F CA 1.566 59.366 58.000 -0.333 0.000 1.239 103 F CB -0.345 38.346 39.000 -0.514 0.000 0.991 103 F HN -0.186 nan 8.300 nan 0.000 0.474 104 R N 0.086 120.436 120.500 -0.251 0.000 2.127 104 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 104 R C 2.424 178.532 176.300 -0.321 0.000 1.134 104 R CA 1.149 57.072 56.100 -0.296 0.000 0.975 104 R CB -0.758 29.479 30.300 -0.105 0.000 0.865 104 R HN 0.432 nan 8.270 nan 0.000 0.447 105 A N 0.362 123.029 122.820 -0.255 0.000 1.873 105 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 105 A C 2.233 179.719 177.584 -0.165 0.000 1.186 105 A CA 1.344 53.271 52.037 -0.183 0.000 0.616 105 A CB -0.662 18.246 19.000 -0.153 0.000 0.823 105 A HN 0.220 nan 8.150 nan 0.000 0.442 106 V N -0.456 119.355 119.914 -0.171 0.000 2.427 106 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 106 V C 2.298 178.163 176.094 -0.382 0.000 1.051 106 V CA 2.189 64.412 62.300 -0.128 0.000 1.048 106 V CB -0.325 31.527 31.823 0.048 0.000 0.666 106 V HN 0.512 nan 8.190 nan 0.000 0.456 107 L N 0.438 121.190 121.223 -0.784 0.000 2.017 107 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 107 L C 2.571 179.173 176.870 -0.446 0.000 1.073 107 L CA 2.744 57.004 54.840 -0.967 0.000 0.745 107 L CB -0.945 40.419 42.059 -1.158 0.000 0.894 107 L HN 0.548 nan 8.230 nan 0.000 0.432 108 Q N -0.706 118.899 119.800 -0.325 0.000 2.170 108 Q HA -0.254 4.086 4.340 -0.000 0.000 0.203 108 Q C 2.279 178.212 176.000 -0.112 0.000 0.976 108 Q CA 1.596 57.293 55.803 -0.176 0.000 0.858 108 Q CB -0.121 28.530 28.738 -0.146 0.000 0.907 108 Q HN 0.493 nan 8.270 nan 0.000 0.433 109 R N 0.126 120.560 120.500 -0.110 0.000 2.300 109 R HA -0.052 4.288 4.340 -0.000 0.000 0.199 109 R C -0.245 176.053 176.300 -0.004 0.000 0.920 109 R CA 0.781 56.855 56.100 -0.044 0.000 1.046 109 R CB 0.303 30.587 30.300 -0.026 0.000 0.984 109 R HN 0.235 nan 8.270 nan 0.000 0.493 110 D N 1.687 122.081 120.400 -0.010 0.000 2.686 110 D HA -0.222 4.418 4.640 -0.000 0.000 0.235 110 D C -0.853 175.555 176.300 0.180 0.000 1.160 110 D CA 0.832 54.907 54.000 0.125 0.000 0.645 110 D CB -0.847 40.017 40.800 0.107 0.000 1.039 110 D HN 0.504 nan 8.370 nan 0.000 0.423 111 E N 0.865 121.180 120.200 0.192 0.000 2.070 111 E HA 0.052 4.402 4.350 -0.000 0.000 0.282 111 E C -0.104 176.612 176.600 0.193 0.000 1.104 111 E CA -0.566 55.925 56.400 0.151 0.000 0.876 111 E CB 0.396 30.158 29.700 0.104 0.000 1.055 111 E HN 0.098 nan 8.360 nan 0.000 0.401 112 R N 3.272 123.818 120.500 0.077 0.000 2.891 112 R HA 0.143 4.483 4.340 -0.000 0.000 0.248 112 R C -0.423 175.861 176.300 -0.026 0.000 1.439 112 R CA -0.179 55.911 56.100 -0.016 0.000 1.288 112 R CB -0.143 30.124 30.300 -0.055 0.000 1.212 112 R HN 0.450 nan 8.270 nan 0.000 0.605 113 S N -1.220 114.483 115.700 0.005 0.000 2.667 113 S HA 0.264 4.734 4.470 -0.000 0.000 0.292 113 S C 0.867 175.478 174.600 0.018 0.000 1.126 113 S CA -0.861 57.329 58.200 -0.016 0.000 0.881 113 S CB 2.387 65.563 63.200 -0.041 0.000 1.132 113 S HN 0.284 nan 8.310 nan 0.000 0.492 114 E N 1.474 121.667 120.200 -0.013 0.000 2.106 114 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 114 E C 2.105 178.762 176.600 0.095 0.000 0.984 114 E CA 1.978 58.395 56.400 0.028 0.000 0.806 114 E CB -0.270 29.410 29.700 -0.034 0.000 0.750 114 E HN 0.743 nan 8.360 nan 0.000 0.458 115 R N 0.101 120.617 120.500 0.027 0.000 2.092 115 R HA 0.048 4.388 4.340 -0.000 0.000 0.231 115 R C 2.300 178.819 176.300 0.364 0.000 1.119 115 R CA 1.370 57.534 56.100 0.107 0.000 0.970 115 R CB -0.669 29.453 30.300 -0.295 0.000 0.864 115 R HN 0.134 nan 8.270 nan 0.000 0.440 116 A N 1.154 124.142 122.820 0.279 0.000 1.902 116 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 116 A C 2.015 179.789 177.584 0.316 0.000 1.181 116 A CA 1.134 53.414 52.037 0.405 0.000 0.623 116 A CB -0.721 18.500 19.000 0.369 0.000 0.818 116 A HN 0.475 nan 8.150 nan 0.000 0.443 117 F N 0.875 120.866 119.950 0.068 0.000 2.095 117 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 117 F C 2.084 177.860 175.800 -0.040 0.000 1.104 117 F CA 2.136 60.123 58.000 -0.023 0.000 1.232 117 F CB -0.225 38.725 39.000 -0.082 0.000 0.987 117 F HN 0.137 nan 8.300 nan 0.000 0.475 118 K N -0.250 120.116 120.400 -0.056 0.000 2.148 118 K HA -0.148 4.172 4.320 -0.000 0.000 0.204 118 K C 1.941 178.479 176.600 -0.104 0.000 1.050 118 K CA 1.299 57.480 56.287 -0.177 0.000 0.942 118 K CB -0.502 31.972 32.500 -0.043 0.000 0.724 118 K HN 0.277 nan 8.250 nan 0.000 0.446 119 L N 1.568 122.822 121.223 0.051 0.000 2.083 119 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 119 L C 2.303 179.036 176.870 -0.228 0.000 1.083 119 L CA 2.184 56.984 54.840 -0.066 0.000 0.752 119 L CB -1.066 40.946 42.059 -0.079 0.000 0.899 119 L HN 0.302 nan 8.230 nan 0.000 0.433 120 T N -2.655 111.779 114.554 -0.201 0.000 2.833 120 T HA -0.280 4.070 4.350 -0.000 0.000 0.269 120 T C 2.075 176.490 174.700 -0.475 0.000 1.054 120 T CA 1.393 63.295 62.100 -0.329 0.000 1.135 120 T CB -0.641 68.087 68.868 -0.232 0.000 0.869 120 T HN 0.503 nan 8.240 nan 0.000 0.466 121 R N 1.235 121.454 120.500 -0.469 0.000 2.096 121 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 121 R C 1.726 177.864 176.300 -0.271 0.000 1.127 121 R CA 1.950 57.803 56.100 -0.412 0.000 0.968 121 R CB -0.408 29.630 30.300 -0.438 0.000 0.861 121 R HN 0.370 nan 8.270 nan 0.000 0.440 122 D N 0.300 120.557 120.400 -0.238 0.000 2.149 122 D HA -0.064 4.576 4.640 -0.000 0.000 0.201 122 D C 1.770 177.876 176.300 -0.322 0.000 0.972 122 D CA 1.369 55.255 54.000 -0.190 0.000 0.835 122 D CB -0.213 40.556 40.800 -0.052 0.000 0.966 122 D HN 0.379 nan 8.370 nan 0.000 0.476 123 A N 0.905 123.421 122.820 -0.506 0.000 1.902 123 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 123 A C 2.355 179.669 177.584 -0.451 0.000 1.181 123 A CA 0.891 52.488 52.037 -0.733 0.000 0.623 123 A CB -0.719 17.614 19.000 -1.112 0.000 0.818 123 A HN 0.183 nan 8.150 nan 0.000 0.443 124 I N -0.788 119.504 120.570 -0.464 0.000 2.226 124 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 124 I C 2.552 178.567 176.117 -0.169 0.000 1.100 124 I CA 1.731 62.787 61.300 -0.406 0.000 1.374 124 I CB -0.271 37.352 38.000 -0.629 0.000 1.057 124 I HN 0.519 nan 8.210 nan 0.000 0.413 125 E N 1.166 121.281 120.200 -0.142 0.000 2.110 125 E HA -0.203 4.146 4.350 -0.000 0.000 0.193 125 E C 2.333 178.920 176.600 -0.022 0.000 0.988 125 E CA 0.969 57.333 56.400 -0.061 0.000 0.804 125 E CB 0.057 29.717 29.700 -0.067 0.000 0.745 125 E HN 0.462 nan 8.360 nan 0.000 0.458 126 L N 0.078 121.273 121.223 -0.047 0.000 2.109 126 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 126 L C 0.914 177.900 176.870 0.193 0.000 1.086 126 L CA 0.594 55.470 54.840 0.059 0.000 0.760 126 L CB 0.035 42.022 42.059 -0.121 0.000 0.910 126 L HN 0.090 nan 8.230 nan 0.000 0.437 127 N N -0.976 117.791 118.700 0.113 0.000 2.793 127 N HA 0.227 4.967 4.740 -0.000 0.000 0.251 127 N C 0.105 175.678 175.510 0.106 0.000 1.308 127 N CA 0.177 53.318 53.050 0.153 0.000 0.781 127 N CB 1.305 39.908 38.487 0.193 0.000 1.439 127 N HN 0.013 nan 8.380 nan 0.000 0.562 128 A N 2.006 124.914 122.820 0.145 0.000 2.172 128 A HA 0.181 4.501 4.320 -0.000 0.000 0.216 128 A C 1.657 179.493 177.584 0.419 0.000 1.154 128 A CA 1.405 53.608 52.037 0.276 0.000 0.701 128 A CB -0.189 18.961 19.000 0.250 0.000 0.789 128 A HN 0.641 nan 8.150 nan 0.000 0.465 129 A N -0.374 122.609 122.820 0.273 0.000 2.251 129 A HA 0.101 4.420 4.320 -0.000 0.000 0.209 129 A C 0.946 178.704 177.584 0.291 0.000 1.187 129 A CA -0.145 52.061 52.037 0.281 0.000 0.823 129 A CB -0.352 18.776 19.000 0.213 0.000 0.846 129 A HN 0.390 nan 8.150 nan 0.000 0.486 130 N N 1.021 119.846 118.700 0.208 0.000 2.421 130 N HA 0.066 4.806 4.740 -0.000 0.000 0.260 130 N C 0.681 176.268 175.510 0.128 0.000 1.173 130 N CA -0.205 52.863 53.050 0.029 0.000 0.960 130 N CB 0.156 38.598 38.487 -0.074 0.000 1.273 130 N HN 0.533 nan 8.380 nan 0.000 0.497 131 Y N 1.860 122.332 120.300 0.288 0.000 2.403 131 Y HA -0.023 4.527 4.550 -0.000 0.000 0.291 131 Y C 1.789 177.894 175.900 0.343 0.000 1.143 131 Y CA 0.653 58.956 58.100 0.339 0.000 1.257 131 Y CB -0.740 37.839 38.460 0.198 0.000 0.984 131 Y HN 0.205 nan 8.280 nan 0.000 0.550 132 T N 0.460 114.884 114.554 -0.217 0.000 2.777 132 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 132 T C 2.052 176.931 174.700 0.298 0.000 1.040 132 T CA 1.666 63.824 62.100 0.097 0.000 1.141 132 T CB -0.611 68.243 68.868 -0.024 0.000 0.868 132 T HN 0.282 nan 8.240 nan 0.000 0.444 133 V N -0.140 119.784 119.914 0.016 0.000 2.295 133 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 133 V C 2.088 178.218 176.094 0.061 0.000 1.049 133 V CA 1.437 63.633 62.300 -0.173 0.000 1.024 133 V CB -0.769 30.630 31.823 -0.706 0.000 0.648 133 V HN 0.591 nan 8.190 nan 0.000 0.447 134 W N -0.338 121.021 121.300 0.098 0.000 2.338 134 W HA -0.230 4.430 4.660 -0.000 0.000 0.304 134 W C 2.681 179.353 176.519 0.256 0.000 1.212 134 W CA 1.880 59.294 57.345 0.115 0.000 1.264 134 W CB -0.503 29.029 29.460 0.120 0.000 1.142 134 W HN 0.383 nan 8.180 nan 0.000 0.512 135 H N -1.347 118.023 119.070 0.499 0.000 2.321 135 H HA -0.251 4.305 4.556 -0.000 0.000 0.300 135 H C 1.960 177.547 175.328 0.432 0.000 1.087 135 H CA 2.207 58.520 56.048 0.440 0.000 1.319 135 H CB -0.785 29.218 29.762 0.402 0.000 1.379 135 H HN 0.091 nan 8.280 nan 0.000 0.501 136 F N 1.239 121.333 119.950 0.240 0.000 2.171 136 F HA -0.081 4.446 4.527 -0.000 0.000 0.300 136 F C 2.760 178.655 175.800 0.159 0.000 1.090 136 F CA 1.643 59.742 58.000 0.165 0.000 1.293 136 F CB -0.398 38.782 39.000 0.298 0.000 1.013 136 F HN 0.103 nan 8.300 nan 0.000 0.486 137 R N 0.180 120.805 120.500 0.209 0.000 2.096 137 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 137 R C 2.404 178.849 176.300 0.241 0.000 1.127 137 R CA 1.451 57.649 56.100 0.164 0.000 0.968 137 R CB -0.190 30.167 30.300 0.095 0.000 0.861 137 R HN 0.233 nan 8.270 nan 0.000 0.440 138 R N -0.317 120.354 120.500 0.286 0.000 2.115 138 R HA -0.050 4.290 4.340 -0.000 0.000 0.230 138 R C 2.218 178.641 176.300 0.206 0.000 1.111 138 R CA 1.215 57.530 56.100 0.358 0.000 0.976 138 R CB -0.101 30.406 30.300 0.346 0.000 0.870 138 R HN 0.116 nan 8.270 nan 0.000 0.445 139 V N 1.500 121.390 119.914 -0.039 0.000 2.407 139 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 139 V C 2.247 178.233 176.094 -0.180 0.000 1.055 139 V CA 1.559 63.779 62.300 -0.134 0.000 1.049 139 V CB -0.337 31.350 31.823 -0.228 0.000 0.662 139 V HN 0.282 nan 8.190 nan 0.000 0.455 140 L N -0.967 120.110 121.223 -0.244 0.000 2.072 140 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 140 L C 2.398 179.150 176.870 -0.197 0.000 1.079 140 L CA 1.275 55.977 54.840 -0.230 0.000 0.752 140 L CB -0.512 41.461 42.059 -0.144 0.000 0.906 140 L HN 0.282 nan 8.230 nan 0.000 0.436 141 L N 0.024 121.208 121.223 -0.065 0.000 2.043 141 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 141 L C 2.695 179.469 176.870 -0.160 0.000 1.075 141 L CA 1.328 56.115 54.840 -0.088 0.000 0.752 141 L CB -0.413 41.788 42.059 0.237 0.000 0.891 141 L HN 0.225 nan 8.230 nan 0.000 0.432 142 K N -0.011 120.292 120.400 -0.162 0.000 1.991 142 K HA -0.092 4.227 4.320 -0.000 0.000 0.207 142 K C 2.167 178.638 176.600 -0.214 0.000 1.045 142 K CA 1.894 58.018 56.287 -0.272 0.000 0.937 142 K CB -0.366 31.971 32.500 -0.272 0.000 0.720 142 K HN 0.025 nan 8.250 nan 0.000 0.438 143 S N 0.641 116.235 115.700 -0.177 0.000 2.374 143 S HA -0.098 4.372 4.470 -0.000 0.000 0.227 143 S C 1.638 176.140 174.600 -0.163 0.000 1.037 143 S CA 1.533 59.641 58.200 -0.153 0.000 1.024 143 S CB -0.298 62.819 63.200 -0.139 0.000 0.861 143 S HN 0.289 nan 8.310 nan 0.000 0.456 144 L N 0.801 121.900 121.223 -0.206 0.000 2.591 144 L HA 0.158 4.498 4.340 -0.000 0.000 0.228 144 L C 0.264 177.006 176.870 -0.214 0.000 1.133 144 L CA 0.120 54.828 54.840 -0.220 0.000 0.880 144 L CB -0.479 41.395 42.059 -0.308 0.000 1.033 144 L HN 0.280 nan 8.230 nan 0.000 0.450 145 Q N 0.696 120.372 119.800 -0.206 0.000 2.451 145 Q HA -0.167 4.173 4.340 -0.000 0.000 0.305 145 Q C -0.400 175.491 176.000 -0.181 0.000 1.345 145 Q CA 0.461 56.155 55.803 -0.181 0.000 0.854 145 Q CB -0.946 27.707 28.738 -0.141 0.000 1.162 145 Q HN 0.302 nan 8.270 nan 0.000 0.440 146 K N 1.227 121.488 120.400 -0.231 0.000 2.319 146 K HA 0.065 4.385 4.320 -0.000 0.000 0.265 146 K C 0.211 176.742 176.600 -0.116 0.000 1.000 146 K CA -0.266 55.881 56.287 -0.233 0.000 0.943 146 K CB 0.403 32.663 32.500 -0.401 0.000 0.950 146 K HN 0.165 nan 8.250 nan 0.000 0.485 147 D N 2.982 123.340 120.400 -0.070 0.000 2.363 147 D HA -0.031 4.609 4.640 -0.000 0.000 0.263 147 D C 0.980 177.284 176.300 0.008 0.000 1.258 147 D CA 0.083 54.076 54.000 -0.011 0.000 0.907 147 D CB 0.557 41.374 40.800 0.029 0.000 1.107 147 D HN 0.343 nan 8.370 nan 0.000 0.495 148 L N 3.955 125.155 121.223 -0.038 0.000 2.275 148 L HA -0.145 4.195 4.340 -0.000 0.000 0.215 148 L C 2.086 178.910 176.870 -0.078 0.000 1.119 148 L CA 0.526 55.340 54.840 -0.042 0.000 0.790 148 L CB -0.349 41.671 42.059 -0.066 0.000 0.919 148 L HN 0.526 nan 8.230 nan 0.000 0.443 149 H N -0.526 118.574 119.070 0.050 0.000 2.428 149 H HA -0.129 4.427 4.556 -0.000 0.000 0.296 149 H C 2.071 177.426 175.328 0.044 0.000 1.062 149 H CA 1.211 57.279 56.048 0.033 0.000 1.350 149 H CB 0.248 30.021 29.762 0.019 0.000 1.403 149 H HN 0.300 nan 8.280 nan 0.000 0.533 150 E N 1.099 121.396 120.200 0.161 0.000 2.072 150 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 150 E C 2.209 178.907 176.600 0.164 0.000 0.985 150 E CA 1.020 57.502 56.400 0.136 0.000 0.801 150 E CB 0.156 29.922 29.700 0.110 0.000 0.750 150 E HN 0.263 nan 8.360 nan 0.000 0.452 151 E N -0.565 119.740 120.200 0.175 0.000 2.153 151 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 151 E C 1.765 178.499 176.600 0.222 0.000 0.988 151 E CA 1.139 57.697 56.400 0.264 0.000 0.811 151 E CB -0.110 29.753 29.700 0.271 0.000 0.746 151 E HN 0.222 nan 8.360 nan 0.000 0.466 152 M N 0.589 120.250 119.600 0.102 0.000 2.159 152 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 152 M C 1.524 177.808 176.300 -0.027 0.000 1.063 152 M CA 1.161 56.462 55.300 0.002 0.000 1.110 152 M CB -0.927 31.671 32.600 -0.004 0.000 1.374 152 M HN 0.163 nan 8.290 nan 0.000 0.411 153 N N -0.407 118.322 118.700 0.048 0.000 2.244 153 N HA -0.182 4.558 4.740 -0.000 0.000 0.183 153 N C 1.637 177.181 175.510 0.058 0.000 1.016 153 N CA 1.069 54.138 53.050 0.032 0.000 0.866 153 N CB -0.630 37.900 38.487 0.071 0.000 0.980 153 N HN 0.416 nan 8.380 nan 0.000 0.430 154 Y N 1.373 121.676 120.300 0.005 0.000 2.133 154 Y HA -0.075 4.475 4.550 -0.000 0.000 0.287 154 Y C 2.233 178.131 175.900 -0.003 0.000 1.134 154 Y CA 0.952 59.062 58.100 0.017 0.000 1.133 154 Y CB -0.608 37.887 38.460 0.058 0.000 0.987 154 Y HN -0.098 nan 8.280 nan 0.000 0.502 155 I N 0.160 120.631 120.570 -0.165 0.000 2.454 155 I HA -0.236 3.934 4.170 -0.000 0.000 0.254 155 I C 2.128 177.994 176.117 -0.417 0.000 1.156 155 I CA 1.864 62.973 61.300 -0.318 0.000 1.433 155 I CB -0.816 37.108 38.000 -0.125 0.000 1.082 155 I HN 0.314 nan 8.210 nan 0.000 0.432 156 T N 0.547 114.865 114.554 -0.393 0.000 2.708 156 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 156 T C 1.959 176.555 174.700 -0.174 0.000 1.037 156 T CA 1.535 63.358 62.100 -0.461 0.000 1.146 156 T CB -0.505 68.150 68.868 -0.356 0.000 0.865 156 T HN 0.494 nan 8.240 nan 0.000 0.435 157 A N 1.327 124.056 122.820 -0.151 0.000 1.930 157 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 157 A C 2.231 179.730 177.584 -0.142 0.000 1.175 157 A CA 0.952 52.934 52.037 -0.093 0.000 0.627 157 A CB -0.589 18.376 19.000 -0.058 0.000 0.815 157 A HN 0.376 nan 8.150 nan 0.000 0.443 158 I N 0.156 120.559 120.570 -0.279 0.000 2.179 158 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 158 I C 2.430 178.431 176.117 -0.194 0.000 1.088 158 I CA 1.384 62.525 61.300 -0.266 0.000 1.357 158 I CB -1.129 36.634 38.000 -0.396 0.000 1.051 158 I HN 0.311 nan 8.210 nan 0.000 0.409 159 I N 0.361 120.777 120.570 -0.256 0.000 2.286 159 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 159 I C 2.484 178.539 176.117 -0.103 0.000 1.115 159 I CA 1.006 62.137 61.300 -0.281 0.000 1.392 159 I CB -0.378 37.333 38.000 -0.482 0.000 1.065 159 I HN 0.226 nan 8.210 nan 0.000 0.418 160 E N 0.937 121.126 120.200 -0.019 0.000 2.118 160 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 160 E C 2.013 178.607 176.600 -0.011 0.000 0.992 160 E CA 1.434 57.836 56.400 0.003 0.000 0.804 160 E CB -0.152 29.567 29.700 0.032 0.000 0.741 160 E HN 0.606 nan 8.360 nan 0.000 0.458 161 E N 0.201 120.386 120.200 -0.025 0.000 2.076 161 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 161 E C 0.459 177.058 176.600 -0.000 0.000 0.979 161 E CA 0.550 56.943 56.400 -0.012 0.000 0.807 161 E CB 0.196 29.884 29.700 -0.019 0.000 0.761 161 E HN 0.190 nan 8.360 nan 0.000 0.454 162 Q N 0.359 120.151 119.800 -0.014 0.000 3.064 162 Q HA 0.140 4.480 4.340 -0.000 0.000 0.258 162 Q C -2.154 173.853 176.000 0.012 0.000 0.972 162 Q CA -1.259 54.551 55.803 0.012 0.000 0.761 162 Q CB 1.497 30.248 28.738 0.021 0.000 1.281 162 Q HN 0.114 nan 8.270 nan 0.000 0.455 163 P HA -0.123 nan 4.420 nan 0.000 0.225 163 P C -0.112 177.402 177.300 0.356 0.000 1.156 163 P CA 0.731 63.962 63.100 0.219 0.000 0.787 163 P CB 0.391 32.216 31.700 0.208 0.000 0.802 164 K N 1.284 121.806 120.400 0.203 0.000 2.319 164 K HA 0.235 4.555 4.320 -0.000 0.000 0.237 164 K C 0.054 176.699 176.600 0.075 0.000 1.113 164 K CA -0.215 56.195 56.287 0.206 0.000 1.072 164 K CB -0.045 32.554 32.500 0.164 0.000 1.734 164 K HN 0.024 nan 8.250 nan 0.000 0.429 165 N N 1.232 119.860 118.700 -0.119 0.000 2.521 165 N HA 0.054 4.794 4.740 -0.000 0.000 0.269 165 N C -0.226 175.076 175.510 -0.348 0.000 1.079 165 N CA -0.346 52.631 53.050 -0.122 0.000 0.980 165 N CB 0.761 39.245 38.487 -0.004 0.000 1.667 165 N HN 0.104 nan 8.380 nan 0.000 0.498 166 Y N 2.062 122.235 120.300 -0.211 0.000 2.200 166 Y HA -0.114 4.436 4.550 -0.000 0.000 0.290 166 Y C 2.121 177.965 175.900 -0.094 0.000 1.137 166 Y CA 1.472 59.481 58.100 -0.151 0.000 1.163 166 Y CB 0.161 38.619 38.460 -0.002 0.000 0.988 166 Y HN 0.589 nan 8.280 nan 0.000 0.518 167 Q N -0.074 119.741 119.800 0.026 0.000 2.096 167 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 167 Q C 2.544 178.177 176.000 -0.611 0.000 0.982 167 Q CA 2.150 57.804 55.803 -0.247 0.000 0.850 167 Q CB -0.970 27.580 28.738 -0.312 0.000 0.901 167 Q HN 0.550 nan 8.270 nan 0.000 0.422 168 V N -3.134 116.429 119.914 -0.585 0.000 2.427 168 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 168 V C 1.633 177.411 176.094 -0.527 0.000 1.051 168 V CA 1.535 63.406 62.300 -0.715 0.000 1.048 168 V CB -1.059 30.453 31.823 -0.518 0.000 0.666 168 V HN 0.364 nan 8.190 nan 0.000 0.456 169 W N -0.038 121.076 121.300 -0.311 0.000 2.418 169 W HA 0.010 4.670 4.660 -0.000 0.000 0.292 169 W C 2.751 179.154 176.519 -0.193 0.000 1.213 169 W CA 1.507 58.700 57.345 -0.253 0.000 1.283 169 W CB -0.509 28.843 29.460 -0.180 0.000 1.119 169 W HN 0.370 nan 8.180 nan 0.000 0.542 170 H N -1.309 117.751 119.070 -0.017 0.000 2.389 170 H HA -0.208 4.348 4.556 -0.000 0.000 0.299 170 H C 2.036 177.267 175.328 -0.163 0.000 1.081 170 H CA 2.117 58.122 56.048 -0.072 0.000 1.345 170 H CB -0.184 29.547 29.762 -0.052 0.000 1.393 170 H HN 0.192 nan 8.280 nan 0.000 0.520 171 H N 0.913 119.728 119.070 -0.424 0.000 2.319 171 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 171 H C 2.728 177.811 175.328 -0.408 0.000 1.092 171 H CA 2.113 57.885 56.048 -0.459 0.000 1.302 171 H CB -0.143 29.273 29.762 -0.576 0.000 1.373 171 H HN 0.193 nan 8.280 nan 0.000 0.497 172 R N 0.235 120.535 120.500 -0.335 0.000 2.081 172 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 172 R C 2.567 178.755 176.300 -0.188 0.000 1.131 172 R CA 1.663 57.581 56.100 -0.303 0.000 0.960 172 R CB -0.183 29.895 30.300 -0.371 0.000 0.856 172 R HN 0.338 nan 8.270 nan 0.000 0.436 173 R N 0.105 120.514 120.500 -0.152 0.000 2.081 173 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 173 R C 2.002 178.066 176.300 -0.394 0.000 1.131 173 R CA 1.740 57.713 56.100 -0.210 0.000 0.960 173 R CB -0.276 29.724 30.300 -0.500 0.000 0.856 173 R HN 0.127 nan 8.270 nan 0.000 0.436 174 V N 1.576 121.106 119.914 -0.639 0.000 2.332 174 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 174 V C 2.417 178.009 176.094 -0.837 0.000 1.055 174 V CA 1.827 63.634 62.300 -0.823 0.000 1.038 174 V CB -0.425 30.762 31.823 -1.061 0.000 0.651 174 V HN 0.349 nan 8.190 nan 0.000 0.450 175 L N -0.517 120.314 121.223 -0.654 0.000 2.017 175 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 175 L C 2.497 179.318 176.870 -0.082 0.000 1.073 175 L CA 1.253 55.880 54.840 -0.356 0.000 0.745 175 L CB -0.794 41.093 42.059 -0.287 0.000 0.894 175 L HN 0.198 nan 8.230 nan 0.000 0.432 176 V N -0.088 119.822 119.914 -0.006 0.000 2.407 176 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 176 V C 2.378 178.652 176.094 0.300 0.000 1.055 176 V CA 1.789 64.184 62.300 0.158 0.000 1.049 176 V CB -0.503 31.511 31.823 0.317 0.000 0.662 176 V HN 0.455 nan 8.190 nan 0.000 0.455 177 E N -1.102 119.276 120.200 0.297 0.000 2.072 177 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 177 E C 2.125 178.936 176.600 0.351 0.000 0.985 177 E CA 1.498 58.111 56.400 0.355 0.000 0.801 177 E CB -0.162 29.658 29.700 0.199 0.000 0.750 177 E HN 0.649 nan 8.360 nan 0.000 0.452 178 W N 0.645 121.993 121.300 0.080 0.000 2.381 178 W HA -0.050 4.610 4.660 -0.000 0.000 0.301 178 W C 1.934 178.468 176.519 0.024 0.000 1.205 178 W CA 0.669 58.032 57.345 0.030 0.000 1.285 178 W CB -0.733 28.713 29.460 -0.025 0.000 1.133 178 W HN 0.104 nan 8.180 nan 0.000 0.521 179 L N -0.243 121.130 121.223 0.251 0.000 2.341 179 L HA 0.057 4.397 4.340 -0.000 0.000 0.214 179 L C 1.185 178.145 176.870 0.150 0.000 1.115 179 L CA 0.414 55.327 54.840 0.122 0.000 0.820 179 L CB -0.418 41.649 42.059 0.014 0.000 0.944 179 L HN -0.162 nan 8.230 nan 0.000 0.452 180 R N 1.085 121.726 120.500 0.235 0.000 3.525 180 R HA -0.199 4.141 4.340 -0.000 0.000 0.276 180 R C -0.490 175.907 176.300 0.162 0.000 1.116 180 R CA 0.757 57.053 56.100 0.328 0.000 0.745 180 R CB -2.126 28.329 30.300 0.258 0.000 1.185 180 R HN 0.381 nan 8.270 nan 0.000 0.454 181 D N -0.143 120.251 120.400 -0.010 0.000 2.440 181 D HA 0.290 4.930 4.640 -0.000 0.000 0.252 181 D C -1.659 174.450 176.300 -0.319 0.000 1.180 181 D CA -1.824 52.098 54.000 -0.130 0.000 0.894 181 D CB 1.205 42.020 40.800 0.026 0.000 1.111 181 D HN -0.046 nan 8.370 nan 0.000 0.544 182 P HA 0.057 nan 4.420 nan 0.000 0.268 182 P C 0.867 177.985 177.300 -0.304 0.000 1.329 182 P CA -0.013 62.715 63.100 -0.619 0.000 0.899 182 P CB 0.310 31.281 31.700 -1.214 0.000 1.378 183 S N 0.158 115.737 115.700 -0.202 0.000 2.420 183 S HA -0.208 4.262 4.470 -0.000 0.000 0.237 183 S C 1.821 176.376 174.600 -0.074 0.000 1.023 183 S CA 1.129 59.260 58.200 -0.116 0.000 0.991 183 S CB -0.906 62.249 63.200 -0.076 0.000 0.792 183 S HN 0.267 nan 8.310 nan 0.000 0.488 184 Q N -0.305 119.461 119.800 -0.056 0.000 2.352 184 Q HA 0.141 4.481 4.340 -0.000 0.000 0.212 184 Q C 1.685 177.712 176.000 0.045 0.000 0.888 184 Q CA 0.060 55.857 55.803 -0.009 0.000 0.934 184 Q CB 0.167 28.897 28.738 -0.013 0.000 1.093 184 Q HN 0.473 nan 8.270 nan 0.000 0.523 185 E N 1.412 121.629 120.200 0.028 0.000 2.021 185 E HA -0.200 4.150 4.350 -0.000 0.000 0.200 185 E C 2.031 178.696 176.600 0.110 0.000 1.015 185 E CA 1.135 57.613 56.400 0.130 0.000 0.824 185 E CB -0.410 29.331 29.700 0.069 0.000 0.762 185 E HN 0.351 nan 8.360 nan 0.000 0.454 186 L N 0.695 121.903 121.223 -0.024 0.000 2.079 186 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 186 L C 2.682 179.475 176.870 -0.129 0.000 1.081 186 L CA 1.540 56.310 54.840 -0.117 0.000 0.752 186 L CB -0.454 41.503 42.059 -0.171 0.000 0.896 186 L HN 0.219 nan 8.230 nan 0.000 0.433 187 E N 0.077 120.245 120.200 -0.053 0.000 2.072 187 E HA -0.245 4.105 4.350 -0.000 0.000 0.190 187 E C 2.167 178.770 176.600 0.004 0.000 0.982 187 E CA 1.020 57.396 56.400 -0.039 0.000 0.803 187 E CB -0.087 29.611 29.700 -0.004 0.000 0.755 187 E HN 0.357 nan 8.360 nan 0.000 0.453 188 F N 1.561 121.481 119.950 -0.049 0.000 2.102 188 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 188 F C 1.909 177.704 175.800 -0.009 0.000 1.105 188 F CA 1.532 59.513 58.000 -0.032 0.000 1.239 188 F CB -0.295 38.688 39.000 -0.029 0.000 0.991 188 F HN -0.005 nan 8.300 nan 0.000 0.474 189 I N 0.593 121.075 120.570 -0.146 0.000 2.208 189 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 189 I C 2.722 178.655 176.117 -0.306 0.000 1.097 189 I CA 1.276 62.443 61.300 -0.222 0.000 1.363 189 I CB -1.113 36.853 38.000 -0.055 0.000 1.051 189 I HN 0.272 nan 8.210 nan 0.000 0.413 190 A N 0.424 123.091 122.820 -0.255 0.000 1.940 190 A HA -0.316 4.003 4.320 -0.000 0.000 0.219 190 A C 1.983 179.487 177.584 -0.134 0.000 1.176 190 A CA 2.431 54.363 52.037 -0.175 0.000 0.631 190 A CB -0.735 18.161 19.000 -0.173 0.000 0.814 190 A HN 0.493 nan 8.150 nan 0.000 0.446 191 D N -0.598 119.687 120.400 -0.193 0.000 2.144 191 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 191 D C 1.737 177.915 176.300 -0.204 0.000 0.978 191 D CA 1.051 54.951 54.000 -0.168 0.000 0.833 191 D CB -0.075 40.630 40.800 -0.159 0.000 0.961 191 D HN 0.277 nan 8.370 nan 0.000 0.470 192 I N 0.586 120.954 120.570 -0.337 0.000 2.179 192 I HA -0.190 3.979 4.170 -0.000 0.000 0.242 192 I C 2.308 178.335 176.117 -0.150 0.000 1.088 192 I CA 0.926 62.078 61.300 -0.248 0.000 1.357 192 I CB -1.028 36.823 38.000 -0.249 0.000 1.051 192 I HN 0.231 nan 8.210 nan 0.000 0.409 193 L N 0.385 121.493 121.223 -0.192 0.000 2.275 193 L HA -0.174 4.166 4.340 -0.000 0.000 0.215 193 L C 2.041 178.873 176.870 -0.062 0.000 1.119 193 L CA 0.880 55.623 54.840 -0.163 0.000 0.790 193 L CB -0.676 41.217 42.059 -0.277 0.000 0.919 193 L HN 0.303 nan 8.230 nan 0.000 0.443 194 N N -0.130 118.537 118.700 -0.054 0.000 2.396 194 N HA -0.161 4.578 4.740 -0.000 0.000 0.180 194 N C 1.805 177.306 175.510 -0.016 0.000 1.028 194 N CA 0.965 54.002 53.050 -0.021 0.000 0.893 194 N CB 0.213 38.689 38.487 -0.019 0.000 0.967 194 N HN 0.366 nan 8.380 nan 0.000 0.440 195 Q N -1.473 118.311 119.800 -0.026 0.000 2.297 195 Q HA 0.081 4.420 4.340 -0.000 0.000 0.203 195 Q C -0.540 175.464 176.000 0.007 0.000 0.931 195 Q CA 0.614 56.411 55.803 -0.010 0.000 0.885 195 Q CB 0.592 29.320 28.738 -0.016 0.000 0.991 195 Q HN 0.193 nan 8.270 nan 0.000 0.498 196 D N -0.942 119.462 120.400 0.006 0.000 2.323 196 D HA 0.256 4.896 4.640 -0.000 0.000 0.242 196 D C -0.396 175.928 176.300 0.039 0.000 1.347 196 D CA -0.251 53.769 54.000 0.033 0.000 0.988 196 D CB 1.129 41.955 40.800 0.044 0.000 1.314 196 D HN 0.063 nan 8.370 nan 0.000 0.564 197 A N 3.566 126.429 122.820 0.072 0.000 2.248 197 A HA -0.064 4.256 4.320 -0.000 0.000 0.210 197 A C 1.344 179.123 177.584 0.324 0.000 1.174 197 A CA 0.921 53.042 52.037 0.140 0.000 0.750 197 A CB -0.005 19.071 19.000 0.127 0.000 0.780 197 A HN 0.485 nan 8.150 nan 0.000 0.478 198 K N -0.259 120.289 120.400 0.247 0.000 2.447 198 K HA 0.089 4.409 4.320 -0.000 0.000 0.205 198 K C 0.112 176.875 176.600 0.272 0.000 1.059 198 K CA -0.436 56.040 56.287 0.314 0.000 1.065 198 K CB 0.260 32.865 32.500 0.176 0.000 0.885 198 K HN 0.330 nan 8.250 nan 0.000 0.545 199 N N 1.504 120.293 118.700 0.149 0.000 2.374 199 N HA -0.146 4.594 4.740 -0.000 0.000 0.269 199 N C 0.477 176.020 175.510 0.056 0.000 1.310 199 N CA 0.531 53.623 53.050 0.069 0.000 0.877 199 N CB 0.271 38.759 38.487 0.002 0.000 1.096 199 N HN 0.197 nan 8.380 nan 0.000 0.484 200 Y N 4.902 125.136 120.300 -0.110 0.000 2.145 200 Y HA -0.235 4.315 4.550 -0.000 0.000 0.286 200 Y C 2.157 177.838 175.900 -0.365 0.000 1.145 200 Y CA 1.676 59.658 58.100 -0.197 0.000 1.148 200 Y CB 0.015 38.277 38.460 -0.330 0.000 0.981 200 Y HN 0.710 nan 8.280 nan 0.000 0.507 201 H N -1.044 117.879 119.070 -0.245 0.000 2.387 201 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 201 H C 2.333 176.984 175.328 -1.128 0.000 1.090 201 H CA 1.191 56.818 56.048 -0.702 0.000 1.332 201 H CB -0.745 28.335 29.762 -1.137 0.000 1.386 201 H HN 0.495 nan 8.280 nan 0.000 0.516 202 A N 0.898 123.111 122.820 -1.011 0.000 1.877 202 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 202 A C 2.337 179.595 177.584 -0.543 0.000 1.186 202 A CA 1.390 52.829 52.037 -0.997 0.000 0.620 202 A CB -1.223 17.435 19.000 -0.571 0.000 0.822 202 A HN 0.445 nan 8.150 nan 0.000 0.443 203 W N -0.413 120.677 121.300 -0.350 0.000 2.363 203 W HA -0.147 4.513 4.660 -0.000 0.000 0.296 203 W C 2.679 179.014 176.519 -0.307 0.000 1.212 203 W CA 1.428 58.600 57.345 -0.289 0.000 1.260 203 W CB -0.143 29.113 29.460 -0.340 0.000 1.131 203 W HN 0.499 nan 8.180 nan 0.000 0.530 204 Q N -0.548 119.173 119.800 -0.130 0.000 2.084 204 Q HA -0.291 4.049 4.340 -0.000 0.000 0.202 204 Q C 2.065 178.086 176.000 0.036 0.000 0.978 204 Q CA 1.989 57.737 55.803 -0.091 0.000 0.844 204 Q CB -0.342 28.360 28.738 -0.060 0.000 0.898 204 Q HN 0.392 nan 8.270 nan 0.000 0.426 205 H N -0.050 118.971 119.070 -0.081 0.000 2.389 205 H HA -0.031 4.524 4.556 -0.000 0.000 0.299 205 H C 2.076 177.520 175.328 0.193 0.000 1.081 205 H CA 1.811 57.938 56.048 0.131 0.000 1.345 205 H CB 0.156 29.996 29.762 0.130 0.000 1.393 205 H HN 0.104 nan 8.280 nan 0.000 0.520 206 R N 0.050 120.598 120.500 0.079 0.000 2.073 206 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 206 R C 2.281 178.561 176.300 -0.033 0.000 1.134 206 R CA 1.880 57.985 56.100 0.009 0.000 0.952 206 R CB 0.014 30.300 30.300 -0.023 0.000 0.850 206 R HN 0.525 nan 8.270 nan 0.000 0.433 207 Q N -0.986 118.761 119.800 -0.088 0.000 2.084 207 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 207 Q C 1.770 177.768 176.000 -0.003 0.000 0.978 207 Q CA 1.719 57.364 55.803 -0.264 0.000 0.844 207 Q CB -0.296 28.006 28.738 -0.726 0.000 0.898 207 Q HN 0.470 nan 8.270 nan 0.000 0.426 208 W N 1.173 122.414 121.300 -0.097 0.000 2.354 208 W HA -0.211 4.449 4.660 -0.000 0.000 0.315 208 W C 1.885 178.384 176.519 -0.033 0.000 1.206 208 W CA 1.430 58.750 57.345 -0.041 0.000 1.290 208 W CB -0.526 28.897 29.460 -0.063 0.000 1.152 208 W HN -0.175 nan 8.180 nan 0.000 0.489 209 V N 1.595 121.262 119.914 -0.411 0.000 2.255 209 V HA -0.356 3.764 4.120 -0.000 0.000 0.247 209 V C 2.357 178.232 176.094 -0.364 0.000 1.051 209 V CA 2.351 64.323 62.300 -0.547 0.000 1.018 209 V CB -1.088 30.558 31.823 -0.296 0.000 0.641 209 V HN 0.253 nan 8.190 nan 0.000 0.445 210 I N -0.384 119.986 120.570 -0.333 0.000 2.163 210 I HA -0.353 3.817 4.170 -0.000 0.000 0.243 210 I C 2.672 178.346 176.117 -0.738 0.000 1.085 210 I CA 2.175 63.158 61.300 -0.528 0.000 1.347 210 I CB -0.345 37.341 38.000 -0.523 0.000 1.044 210 I HN 0.390 nan 8.210 nan 0.000 0.408 211 Q N 0.630 120.159 119.800 -0.452 0.000 2.083 211 Q HA -0.258 4.082 4.340 -0.000 0.000 0.198 211 Q C 2.071 177.966 176.000 -0.176 0.000 0.969 211 Q CA 1.587 57.298 55.803 -0.153 0.000 0.838 211 Q CB 0.086 28.949 28.738 0.209 0.000 0.900 211 Q HN 0.311 nan 8.270 nan 0.000 0.436 212 E N -0.443 119.502 120.200 -0.426 0.000 2.106 212 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 212 E C 0.494 176.663 176.600 -0.718 0.000 0.984 212 E CA 1.257 57.281 56.400 -0.628 0.000 0.806 212 E CB -0.020 29.000 29.700 -1.132 0.000 0.750 212 E HN 0.436 nan 8.360 nan 0.000 0.458 213 F N 0.575 120.308 119.950 -0.362 0.000 2.639 213 F HA 0.367 4.894 4.527 -0.000 0.000 0.302 213 F C -0.120 175.569 175.800 -0.185 0.000 1.097 213 F CA -0.299 57.556 58.000 -0.241 0.000 1.294 213 F CB 0.177 39.020 39.000 -0.262 0.000 1.027 213 F HN -0.208 nan 8.300 nan 0.000 0.550 214 K N 1.284 121.630 120.400 -0.091 0.000 3.419 214 K HA -0.202 4.118 4.320 -0.000 0.000 0.272 214 K C -0.462 176.067 176.600 -0.119 0.000 0.973 214 K CA 0.282 56.551 56.287 -0.030 0.000 0.749 214 K CB -1.914 30.681 32.500 0.158 0.000 1.403 214 K HN 0.386 nan 8.250 nan 0.000 0.456 215 L N 0.111 121.106 121.223 -0.380 0.000 2.956 215 L HA 0.187 4.527 4.340 -0.000 0.000 0.232 215 L C 0.890 177.593 176.870 -0.279 0.000 1.291 215 L CA -0.522 54.176 54.840 -0.237 0.000 1.122 215 L CB -0.282 41.656 42.059 -0.202 0.000 1.461 215 L HN 0.351 nan 8.230 nan 0.000 0.470 216 W N -0.783 120.512 121.300 -0.008 0.000 2.640 216 W HA 0.001 4.661 4.660 -0.000 0.000 0.268 216 W C 1.804 178.312 176.519 -0.018 0.000 1.263 216 W CA -0.188 57.145 57.345 -0.020 0.000 1.344 216 W CB -0.019 29.404 29.460 -0.062 0.000 1.093 216 W HN 0.324 nan 8.180 nan 0.000 0.603 217 D N 0.638 121.147 120.400 0.181 0.000 2.191 217 D HA -0.229 4.411 4.640 -0.000 0.000 0.190 217 D C 1.283 177.626 176.300 0.073 0.000 1.007 217 D CA 1.539 55.600 54.000 0.101 0.000 0.865 217 D CB -0.525 40.311 40.800 0.061 0.000 0.929 217 D HN 0.253 nan 8.370 nan 0.000 0.447 218 N N -0.238 118.499 118.700 0.061 0.000 2.187 218 N HA -0.012 4.728 4.740 -0.000 0.000 0.212 218 N C 1.052 176.620 175.510 0.096 0.000 1.152 218 N CA -0.002 53.082 53.050 0.058 0.000 0.872 218 N CB 1.029 39.534 38.487 0.030 0.000 1.025 218 N HN 0.110 nan 8.380 nan 0.000 0.514 219 E N 1.119 121.393 120.200 0.124 0.000 2.152 219 E HA -0.035 4.315 4.350 -0.000 0.000 0.192 219 E C 1.704 178.423 176.600 0.198 0.000 0.983 219 E CA 0.525 57.042 56.400 0.195 0.000 0.818 219 E CB -0.006 29.829 29.700 0.225 0.000 0.758 219 E HN 0.137 nan 8.360 nan 0.000 0.467 220 L N 0.596 121.887 121.223 0.114 0.000 2.141 220 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 220 L C 1.907 178.781 176.870 0.007 0.000 1.094 220 L CA 1.720 56.579 54.840 0.032 0.000 0.763 220 L CB -0.394 41.651 42.059 -0.024 0.000 0.908 220 L HN 0.158 nan 8.230 nan 0.000 0.437 221 Q N -2.016 117.811 119.800 0.044 0.000 2.079 221 Q HA -0.253 4.087 4.340 -0.000 0.000 0.200 221 Q C 2.094 178.138 176.000 0.074 0.000 0.974 221 Q CA 1.917 57.741 55.803 0.036 0.000 0.840 221 Q CB -0.441 28.328 28.738 0.051 0.000 0.898 221 Q HN 0.572 nan 8.270 nan 0.000 0.430 222 Y N 0.937 121.240 120.300 0.005 0.000 2.181 222 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 222 Y C 2.065 177.982 175.900 0.029 0.000 1.146 222 Y CA 0.979 59.094 58.100 0.025 0.000 1.164 222 Y CB -0.314 38.176 38.460 0.051 0.000 0.982 222 Y HN -0.156 nan 8.280 nan 0.000 0.515 223 V N 0.566 120.472 119.914 -0.012 0.000 2.287 223 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 223 V C 2.102 178.055 176.094 -0.234 0.000 1.053 223 V CA 2.311 64.523 62.300 -0.145 0.000 1.027 223 V CB -0.669 31.093 31.823 -0.102 0.000 0.646 223 V HN 0.378 nan 8.190 nan 0.000 0.447 224 D N -0.680 119.610 120.400 -0.183 0.000 2.149 224 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 224 D C 2.185 178.403 176.300 -0.136 0.000 0.990 224 D CA 1.395 55.294 54.000 -0.168 0.000 0.839 224 D CB -0.174 40.549 40.800 -0.128 0.000 0.948 224 D HN 0.424 nan 8.370 nan 0.000 0.460 225 Q N 0.572 120.290 119.800 -0.138 0.000 2.079 225 Q HA -0.020 4.320 4.340 -0.000 0.000 0.200 225 Q C 2.217 178.118 176.000 -0.165 0.000 0.974 225 Q CA 0.965 56.694 55.803 -0.123 0.000 0.840 225 Q CB -0.397 28.285 28.738 -0.093 0.000 0.898 225 Q HN 0.292 nan 8.270 nan 0.000 0.430 226 L N -0.333 120.731 121.223 -0.265 0.000 2.141 226 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 226 L C 2.227 178.993 176.870 -0.173 0.000 1.094 226 L CA 0.710 55.415 54.840 -0.226 0.000 0.763 226 L CB -0.395 41.500 42.059 -0.273 0.000 0.908 226 L HN 0.270 nan 8.230 nan 0.000 0.437 227 L N -0.104 120.987 121.223 -0.221 0.000 2.217 227 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 227 L C 2.590 179.387 176.870 -0.122 0.000 1.107 227 L CA 0.706 55.406 54.840 -0.234 0.000 0.783 227 L CB -0.281 41.561 42.059 -0.362 0.000 0.919 227 L HN 0.192 nan 8.230 nan 0.000 0.442 228 K N 0.775 121.118 120.400 -0.095 0.000 2.103 228 K HA -0.149 4.171 4.320 -0.000 0.000 0.204 228 K C 1.820 178.395 176.600 -0.042 0.000 1.052 228 K CA 1.387 57.642 56.287 -0.054 0.000 0.945 228 K CB 0.024 32.499 32.500 -0.043 0.000 0.722 228 K HN 0.309 nan 8.250 nan 0.000 0.443 229 E N -0.404 119.765 120.200 -0.051 0.000 2.107 229 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 229 E C -0.122 176.468 176.600 -0.018 0.000 0.982 229 E CA 0.974 57.355 56.400 -0.031 0.000 0.809 229 E CB 0.098 29.777 29.700 -0.035 0.000 0.756 229 E HN 0.190 nan 8.360 nan 0.000 0.459 230 D N -0.122 120.264 120.400 -0.024 0.000 2.319 230 D HA 0.012 4.652 4.640 -0.000 0.000 0.237 230 D C -0.115 176.190 176.300 0.007 0.000 1.353 230 D CA -0.202 53.800 54.000 0.003 0.000 0.992 230 D CB 1.536 42.347 40.800 0.018 0.000 1.368 230 D HN -0.120 nan 8.370 nan 0.000 0.564 231 V N 4.537 124.469 119.914 0.031 0.000 3.241 231 V HA -0.033 4.086 4.120 -0.000 0.000 0.269 231 V C 1.628 177.883 176.094 0.270 0.000 1.151 231 V CA 1.469 63.826 62.300 0.095 0.000 1.158 231 V CB -0.311 31.568 31.823 0.093 0.000 0.764 231 V HN 0.395 nan 8.190 nan 0.000 0.508 232 R N 0.373 120.973 120.500 0.166 0.000 2.317 232 R HA 0.134 4.474 4.340 -0.000 0.000 0.208 232 R C 0.722 177.122 176.300 0.167 0.000 0.914 232 R CA -0.151 56.047 56.100 0.164 0.000 1.060 232 R CB -0.178 30.173 30.300 0.085 0.000 1.015 232 R HN 0.344 nan 8.270 nan 0.000 0.498 233 N N 1.786 120.575 118.700 0.147 0.000 2.406 233 N HA -0.061 4.679 4.740 -0.000 0.000 0.269 233 N C 0.388 175.984 175.510 0.144 0.000 1.210 233 N CA 0.215 53.322 53.050 0.095 0.000 0.966 233 N CB 0.517 39.022 38.487 0.031 0.000 1.293 233 N HN 0.040 nan 8.380 nan 0.000 0.491 234 N N 1.721 120.501 118.700 0.134 0.000 2.205 234 N HA -0.100 4.639 4.740 -0.000 0.000 0.186 234 N C 1.090 176.591 175.510 -0.014 0.000 1.015 234 N CA 1.234 54.363 53.050 0.132 0.000 0.862 234 N CB 0.229 38.750 38.487 0.057 0.000 0.986 234 N HN 0.363 nan 8.380 nan 0.000 0.429 235 S N -1.081 114.514 115.700 -0.176 0.000 2.399 235 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 235 S C 1.887 175.988 174.600 -0.831 0.000 1.022 235 S CA 0.833 58.699 58.200 -0.557 0.000 0.983 235 S CB -0.090 62.681 63.200 -0.715 0.000 0.803 235 S HN 0.188 nan 8.310 nan 0.000 0.480 236 V N -0.398 119.194 119.914 -0.537 0.000 2.488 236 V HA -0.075 4.045 4.120 -0.000 0.000 0.246 236 V C 1.779 177.646 176.094 -0.378 0.000 1.046 236 V CA 1.075 63.053 62.300 -0.536 0.000 1.053 236 V CB -0.744 30.858 31.823 -0.369 0.000 0.679 236 V HN 0.570 nan 8.190 nan 0.000 0.458 237 W N 0.679 121.836 121.300 -0.238 0.000 2.402 237 W HA -0.138 4.522 4.660 -0.000 0.000 0.286 237 W C 2.493 178.966 176.519 -0.077 0.000 1.221 237 W CA 1.584 58.808 57.345 -0.202 0.000 1.257 237 W CB -0.475 28.895 29.460 -0.150 0.000 1.120 237 W HN 0.305 nan 8.180 nan 0.000 0.551 238 N N 0.305 119.060 118.700 0.092 0.000 2.142 238 N HA -0.241 4.498 4.740 -0.000 0.000 0.186 238 N C 1.732 177.312 175.510 0.117 0.000 1.023 238 N CA 1.714 54.819 53.050 0.090 0.000 0.852 238 N CB -0.363 38.074 38.487 -0.084 0.000 0.998 238 N HN 0.014 nan 8.380 nan 0.000 0.424 239 Q N 0.671 120.408 119.800 -0.104 0.000 2.170 239 Q HA -0.041 4.299 4.340 -0.000 0.000 0.203 239 Q C 2.076 178.212 176.000 0.227 0.000 0.976 239 Q CA 1.311 57.138 55.803 0.039 0.000 0.858 239 Q CB -0.211 28.417 28.738 -0.182 0.000 0.907 239 Q HN 0.342 nan 8.270 nan 0.000 0.433 240 R N -1.302 119.258 120.500 0.101 0.000 2.073 240 R HA -0.205 4.135 4.340 -0.000 0.000 0.234 240 R C 2.058 178.543 176.300 0.309 0.000 1.134 240 R CA 1.647 57.806 56.100 0.099 0.000 0.952 240 R CB -0.489 29.738 30.300 -0.123 0.000 0.850 240 R HN 0.440 nan 8.270 nan 0.000 0.433 241 Y N 0.146 120.694 120.300 0.414 0.000 2.181 241 Y HA -0.264 4.286 4.550 -0.000 0.000 0.288 241 Y C 1.922 178.061 175.900 0.399 0.000 1.146 241 Y CA 1.889 60.308 58.100 0.532 0.000 1.164 241 Y CB -0.413 38.326 38.460 0.464 0.000 0.982 241 Y HN 0.141 nan 8.280 nan 0.000 0.515 242 F N -0.155 120.020 119.950 0.375 0.000 2.069 242 F HA -0.256 4.271 4.527 -0.000 0.000 0.298 242 F C 2.070 178.015 175.800 0.242 0.000 1.113 242 F CA 2.015 60.201 58.000 0.309 0.000 1.214 242 F CB -0.973 38.194 39.000 0.277 0.000 0.978 242 F HN -0.101 nan 8.300 nan 0.000 0.474 243 V N 1.063 121.061 119.914 0.141 0.000 2.261 243 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 243 V C 2.501 178.466 176.094 -0.215 0.000 1.047 243 V CA 2.312 64.629 62.300 0.028 0.000 1.015 243 V CB -0.701 31.226 31.823 0.174 0.000 0.642 243 V HN 0.399 nan 8.190 nan 0.000 0.446 244 I N 1.137 121.577 120.570 -0.217 0.000 2.179 244 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 244 I C 2.693 178.479 176.117 -0.552 0.000 1.088 244 I CA 1.850 62.889 61.300 -0.436 0.000 1.357 244 I CB -0.563 37.078 38.000 -0.599 0.000 1.051 244 I HN 0.486 nan 8.210 nan 0.000 0.409 245 S N 0.601 116.023 115.700 -0.463 0.000 2.419 245 S HA -0.161 4.309 4.470 -0.000 0.000 0.233 245 S C 1.490 175.884 174.600 -0.343 0.000 1.016 245 S CA 1.599 59.600 58.200 -0.332 0.000 0.974 245 S CB -0.680 62.383 63.200 -0.228 0.000 0.786 245 S HN 0.478 nan 8.310 nan 0.000 0.492 246 N N 0.848 119.239 118.700 -0.515 0.000 2.353 246 N HA 0.131 4.871 4.740 -0.000 0.000 0.185 246 N C 1.444 176.408 175.510 -0.911 0.000 1.098 246 N CA 0.932 53.535 53.050 -0.744 0.000 0.872 246 N CB 0.429 38.232 38.487 -1.139 0.000 0.970 246 N HN 0.755 nan 8.380 nan 0.000 0.467 247 T N -3.396 110.733 114.554 -0.708 0.000 3.610 247 T HA 0.006 4.356 4.350 -0.000 0.000 0.209 247 T C 2.034 176.504 174.700 -0.382 0.000 0.889 247 T CA 0.943 62.695 62.100 -0.580 0.000 1.469 247 T CB -0.913 67.688 68.868 -0.445 0.000 1.557 247 T HN 0.062 nan 8.240 nan 0.000 0.431 248 T N -0.761 113.592 114.554 -0.334 0.000 3.014 248 T HA 0.461 4.811 4.350 -0.000 0.000 0.263 248 T C 1.425 175.967 174.700 -0.264 0.000 1.078 248 T CA 0.636 62.578 62.100 -0.263 0.000 1.135 248 T CB -1.062 67.662 68.868 -0.241 0.000 0.895 248 T HN 1.501 nan 8.240 nan 0.000 0.480 249 G N 0.412 109.003 108.800 -0.349 0.000 2.795 249 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.664 249 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.664 249 G C -0.254 174.439 174.900 -0.345 0.000 1.381 249 G CA -0.199 44.733 45.100 -0.280 0.000 0.853 249 G HN 0.336 nan 8.290 nan 0.000 0.545 250 Y N 0.394 120.626 120.300 -0.113 0.000 2.458 250 Y HA 0.197 4.747 4.550 -0.000 0.000 0.256 250 Y C 2.481 178.367 175.900 -0.023 0.000 1.159 250 Y CA 0.327 58.385 58.100 -0.071 0.000 1.261 250 Y CB 0.411 38.830 38.460 -0.067 0.000 1.119 250 Y HN 0.467 nan 8.280 nan 0.000 0.524 251 N N 0.167 118.919 118.700 0.087 0.000 2.331 251 N HA -0.123 4.617 4.740 -0.000 0.000 0.180 251 N C 0.188 175.723 175.510 0.041 0.000 1.019 251 N CA 0.847 53.937 53.050 0.067 0.000 0.881 251 N CB -0.155 38.354 38.487 0.037 0.000 0.972 251 N HN 0.283 nan 8.380 nan 0.000 0.435 252 D N 1.363 121.765 120.400 0.004 0.000 2.363 252 D HA 0.024 4.664 4.640 -0.000 0.000 0.263 252 D C 0.975 177.287 176.300 0.020 0.000 1.258 252 D CA 0.036 54.031 54.000 -0.008 0.000 0.907 252 D CB 0.529 41.300 40.800 -0.048 0.000 1.107 252 D HN 0.055 nan 8.370 nan 0.000 0.495 253 R N 3.056 123.578 120.500 0.036 0.000 2.159 253 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 253 R C 1.868 178.196 176.300 0.048 0.000 1.131 253 R CA 1.329 57.465 56.100 0.059 0.000 0.982 253 R CB -0.088 30.247 30.300 0.058 0.000 0.868 253 R HN 0.497 nan 8.270 nan 0.000 0.453 254 A N 0.658 123.491 122.820 0.022 0.000 1.898 254 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 254 A C 2.336 179.926 177.584 0.010 0.000 1.181 254 A CA 1.092 53.138 52.037 0.015 0.000 0.620 254 A CB -0.338 18.662 19.000 -0.001 0.000 0.819 254 A HN 0.096 nan 8.150 nan 0.000 0.442 255 V N -0.264 119.644 119.914 -0.011 0.000 2.307 255 V HA -0.217 3.902 4.120 -0.000 0.000 0.245 255 V C 2.485 178.592 176.094 0.023 0.000 1.045 255 V CA 1.909 64.187 62.300 -0.037 0.000 1.024 255 V CB -0.774 30.978 31.823 -0.118 0.000 0.651 255 V HN 0.576 nan 8.190 nan 0.000 0.449 256 L N 0.544 121.811 121.223 0.072 0.000 2.046 256 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 256 L C 2.442 179.375 176.870 0.105 0.000 1.077 256 L CA 2.370 57.295 54.840 0.143 0.000 0.747 256 L CB -0.707 41.444 42.059 0.154 0.000 0.896 256 L HN 0.425 nan 8.230 nan 0.000 0.432 257 E N -0.069 120.180 120.200 0.081 0.000 2.077 257 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 257 E C 2.445 179.090 176.600 0.075 0.000 0.989 257 E CA 1.602 58.044 56.400 0.070 0.000 0.800 257 E CB -0.357 29.379 29.700 0.060 0.000 0.746 257 E HN 0.449 nan 8.360 nan 0.000 0.452 258 R N 0.077 120.618 120.500 0.069 0.000 2.091 258 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 258 R C 1.911 178.294 176.300 0.139 0.000 1.136 258 R CA 1.673 57.818 56.100 0.076 0.000 0.959 258 R CB -0.138 30.180 30.300 0.031 0.000 0.856 258 R HN 0.147 nan 8.270 nan 0.000 0.437 259 E N 0.143 120.441 120.200 0.163 0.000 2.072 259 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 259 E C 2.105 178.889 176.600 0.306 0.000 0.985 259 E CA 1.093 57.670 56.400 0.295 0.000 0.801 259 E CB -0.237 29.690 29.700 0.378 0.000 0.750 259 E HN 0.201 nan 8.360 nan 0.000 0.452 260 V N 1.881 121.893 119.914 0.163 0.000 2.343 260 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 260 V C 2.486 178.622 176.094 0.069 0.000 1.051 260 V CA 1.524 63.868 62.300 0.073 0.000 1.036 260 V CB -0.415 31.402 31.823 -0.011 0.000 0.654 260 V HN 0.217 nan 8.190 nan 0.000 0.451 261 Q N -0.980 118.873 119.800 0.089 0.000 2.050 261 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 261 Q C 2.153 178.209 176.000 0.094 0.000 0.980 261 Q CA 2.113 57.956 55.803 0.066 0.000 0.840 261 Q CB -0.517 28.263 28.738 0.071 0.000 0.898 261 Q HN 0.786 nan 8.270 nan 0.000 0.424 262 Y N 1.830 122.161 120.300 0.052 0.000 2.097 262 Y HA -0.251 4.299 4.550 -0.000 0.000 0.282 262 Y C 2.320 178.276 175.900 0.095 0.000 1.152 262 Y CA 2.190 60.329 58.100 0.065 0.000 1.136 262 Y CB -0.454 38.057 38.460 0.085 0.000 0.975 262 Y HN 0.066 nan 8.280 nan 0.000 0.498 263 T N 1.345 116.019 114.554 0.201 0.000 2.746 263 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 263 T C 2.059 176.654 174.700 -0.174 0.000 1.039 263 T CA 1.757 63.909 62.100 0.087 0.000 1.142 263 T CB -0.599 68.404 68.868 0.226 0.000 0.866 263 T HN 0.322 nan 8.240 nan 0.000 0.444 264 L N 0.689 121.813 121.223 -0.165 0.000 2.083 264 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 264 L C 2.830 179.575 176.870 -0.209 0.000 1.083 264 L CA 1.226 55.921 54.840 -0.242 0.000 0.752 264 L CB -0.428 41.529 42.059 -0.171 0.000 0.899 264 L HN 0.221 nan 8.230 nan 0.000 0.433 265 E N 0.095 120.194 120.200 -0.169 0.000 2.072 265 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 265 E C 2.187 178.672 176.600 -0.191 0.000 0.985 265 E CA 1.375 57.683 56.400 -0.155 0.000 0.801 265 E CB -0.013 29.602 29.700 -0.142 0.000 0.750 265 E HN 0.190 nan 8.360 nan 0.000 0.452 266 M N -0.075 119.366 119.600 -0.266 0.000 2.175 266 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 266 M C 2.343 178.522 176.300 -0.203 0.000 1.063 266 M CA 1.122 56.293 55.300 -0.214 0.000 1.119 266 M CB -0.746 31.770 32.600 -0.142 0.000 1.377 266 M HN 0.205 nan 8.290 nan 0.000 0.415 267 I N -0.015 120.369 120.570 -0.310 0.000 2.226 267 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 267 I C 2.278 178.268 176.117 -0.212 0.000 1.100 267 I CA 1.218 62.273 61.300 -0.408 0.000 1.374 267 I CB -0.324 37.217 38.000 -0.767 0.000 1.057 267 I HN 0.317 nan 8.210 nan 0.000 0.413 268 K N 0.197 120.525 120.400 -0.120 0.000 2.097 268 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 268 K C 1.985 178.584 176.600 -0.003 0.000 1.050 268 K CA 1.103 57.419 56.287 0.048 0.000 0.938 268 K CB -0.099 32.445 32.500 0.073 0.000 0.718 268 K HN 0.111 nan 8.250 nan 0.000 0.442 269 L N 0.116 121.308 121.223 -0.051 0.000 2.072 269 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 269 L C 0.739 177.578 176.870 -0.052 0.000 1.079 269 L CA 1.394 56.209 54.840 -0.042 0.000 0.752 269 L CB 0.159 42.187 42.059 -0.051 0.000 0.906 269 L HN -0.134 nan 8.230 nan 0.000 0.436 270 V N -0.461 119.411 119.914 -0.070 0.000 2.467 270 V HA 0.214 4.334 4.120 -0.000 0.000 0.260 270 V C -1.740 174.326 176.094 -0.047 0.000 0.963 270 V CA -0.798 61.481 62.300 -0.035 0.000 0.856 270 V CB 1.032 32.850 31.823 -0.007 0.000 1.087 270 V HN 0.059 nan 8.190 nan 0.000 0.467 271 P HA -0.149 nan 4.420 nan 0.000 0.217 271 P C 0.803 178.108 177.300 0.009 0.000 1.148 271 P CA 1.564 64.619 63.100 -0.075 0.000 0.834 271 P CB 0.085 31.619 31.700 -0.277 0.000 0.783 272 H N -3.142 116.012 119.070 0.140 0.000 2.519 272 H HA 0.159 4.715 4.556 -0.000 0.000 0.289 272 H C 0.344 175.630 175.328 -0.070 0.000 1.040 272 H CA -0.354 55.795 56.048 0.169 0.000 1.165 272 H CB -0.760 29.132 29.762 0.215 0.000 1.462 272 H HN 0.004 nan 8.280 nan 0.000 0.555 273 N N 1.378 120.071 118.700 -0.012 0.000 2.415 273 N HA -0.054 4.686 4.740 -0.000 0.000 0.246 273 N C 1.135 176.518 175.510 -0.211 0.000 1.078 273 N CA 0.047 53.044 53.050 -0.088 0.000 0.942 273 N CB 0.774 39.232 38.487 -0.048 0.000 1.140 273 N HN 0.383 nan 8.380 nan 0.000 0.501 274 E N 2.283 122.279 120.200 -0.339 0.000 2.153 274 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 274 E C 0.942 177.418 176.600 -0.207 0.000 0.988 274 E CA 1.008 57.186 56.400 -0.370 0.000 0.811 274 E CB 0.156 29.693 29.700 -0.272 0.000 0.746 274 E HN 0.649 nan 8.360 nan 0.000 0.466 275 S N 0.337 115.883 115.700 -0.257 0.000 2.370 275 S HA -0.223 4.247 4.470 -0.000 0.000 0.226 275 S C 2.004 176.091 174.600 -0.855 0.000 1.033 275 S CA 1.134 59.068 58.200 -0.444 0.000 1.011 275 S CB -0.316 62.646 63.200 -0.398 0.000 0.852 275 S HN 0.516 nan 8.310 nan 0.000 0.457 276 A N 0.321 122.581 122.820 -0.934 0.000 1.902 276 A HA -0.105 4.214 4.320 -0.000 0.000 0.217 276 A C 1.847 179.091 177.584 -0.566 0.000 1.181 276 A CA 1.249 52.627 52.037 -1.100 0.000 0.623 276 A CB -1.032 17.522 19.000 -0.743 0.000 0.818 276 A HN 0.673 nan 8.150 nan 0.000 0.443 277 W N 0.493 121.581 121.300 -0.353 0.000 2.358 277 W HA -0.146 4.514 4.660 -0.000 0.000 0.303 277 W C 2.121 178.612 176.519 -0.047 0.000 1.208 277 W CA 1.162 58.413 57.345 -0.157 0.000 1.274 277 W CB -0.258 29.138 29.460 -0.106 0.000 1.138 277 W HN 0.328 nan 8.180 nan 0.000 0.515 278 N N -0.883 117.879 118.700 0.103 0.000 2.244 278 N HA -0.219 4.521 4.740 -0.000 0.000 0.183 278 N C 1.352 176.881 175.510 0.032 0.000 1.016 278 N CA 1.359 54.445 53.050 0.060 0.000 0.866 278 N CB -1.071 37.410 38.487 -0.010 0.000 0.980 278 N HN 0.235 nan 8.380 nan 0.000 0.430 279 Y N 1.161 121.345 120.300 -0.193 0.000 2.220 279 Y HA -0.054 4.496 4.550 -0.000 0.000 0.291 279 Y C 2.163 178.046 175.900 -0.029 0.000 1.129 279 Y CA 0.744 58.777 58.100 -0.112 0.000 1.161 279 Y CB -0.428 37.910 38.460 -0.204 0.000 0.997 279 Y HN -0.039 nan 8.280 nan 0.000 0.522 280 L N 1.189 122.404 121.223 -0.014 0.000 2.012 280 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 280 L C 2.434 179.346 176.870 0.070 0.000 1.073 280 L CA 2.337 57.160 54.840 -0.029 0.000 0.748 280 L CB -0.979 41.036 42.059 -0.072 0.000 0.891 280 L HN 0.258 nan 8.230 nan 0.000 0.431 281 K N -1.058 119.490 120.400 0.247 0.000 2.057 281 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 281 K C 2.013 178.577 176.600 -0.061 0.000 1.050 281 K CA 1.268 57.633 56.287 0.131 0.000 0.935 281 K CB -0.631 31.897 32.500 0.047 0.000 0.715 281 K HN 0.473 nan 8.250 nan 0.000 0.439 282 G N 1.981 110.708 108.800 -0.121 0.000 2.440 282 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 282 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 282 G C 1.453 176.188 174.900 -0.274 0.000 1.154 282 G CA 1.226 46.197 45.100 -0.216 0.000 0.767 282 G HN 0.556 nan 8.290 nan 0.000 0.552 283 I N -2.382 117.959 120.570 -0.381 0.000 3.428 283 I HA 0.317 4.487 4.170 -0.000 0.000 0.286 283 I C 1.732 177.677 176.117 -0.286 0.000 1.287 283 I CA 0.566 61.587 61.300 -0.466 0.000 1.396 283 I CB 0.020 37.607 38.000 -0.689 0.000 1.062 283 I HN 0.092 nan 8.210 nan 0.000 0.471 284 L N 0.620 121.725 121.223 -0.196 0.000 2.717 284 L HA 0.122 4.462 4.340 -0.000 0.000 0.239 284 L C 2.610 179.494 176.870 0.023 0.000 1.086 284 L CA 0.208 54.967 54.840 -0.136 0.000 0.897 284 L CB -0.279 41.613 42.059 -0.279 0.000 1.214 284 L HN 0.265 nan 8.230 nan 0.000 0.508 285 Q N 0.603 120.385 119.800 -0.030 0.000 2.096 285 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 285 Q C 0.933 176.945 176.000 0.021 0.000 0.982 285 Q CA 1.976 57.772 55.803 -0.013 0.000 0.850 285 Q CB -0.346 28.358 28.738 -0.057 0.000 0.901 285 Q HN 0.394 nan 8.270 nan 0.000 0.422 286 D N 0.679 121.090 120.400 0.018 0.000 2.117 286 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 286 D C 2.080 178.415 176.300 0.059 0.000 0.987 286 D CA 1.000 55.020 54.000 0.034 0.000 0.829 286 D CB -0.129 40.693 40.800 0.036 0.000 0.961 286 D HN 0.255 nan 8.370 nan 0.000 0.460 287 R N 0.086 120.646 120.500 0.100 0.000 2.119 287 R HA 0.150 4.490 4.340 -0.000 0.000 0.222 287 R C 0.948 177.302 176.300 0.089 0.000 1.088 287 R CA 0.736 56.898 56.100 0.105 0.000 0.984 287 R CB -0.160 30.243 30.300 0.171 0.000 0.884 287 R HN 0.221 nan 8.270 nan 0.000 0.447 288 G N 0.308 109.189 108.800 0.136 0.000 3.326 288 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.681 288 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.681 288 G C 0.400 175.417 174.900 0.196 0.000 1.255 288 G CA -0.687 44.477 45.100 0.106 0.000 0.976 288 G HN 0.097 nan 8.290 nan 0.000 0.563 289 L N 1.545 122.864 121.223 0.160 0.000 2.127 289 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 289 L C 3.021 180.035 176.870 0.241 0.000 1.089 289 L CA 2.140 57.114 54.840 0.224 0.000 0.757 289 L CB -0.438 41.649 42.059 0.046 0.000 0.899 289 L HN 0.868 nan 8.230 nan 0.000 0.434 290 S N -1.235 114.537 115.700 0.121 0.000 2.555 290 S HA -0.047 4.423 4.470 -0.000 0.000 0.230 290 S C 1.616 176.226 174.600 0.017 0.000 0.978 290 S CA 0.281 58.529 58.200 0.079 0.000 0.934 290 S CB -0.136 63.092 63.200 0.048 0.000 0.766 290 S HN 0.289 nan 8.310 nan 0.000 0.533 291 K N 0.748 121.107 120.400 -0.068 0.000 2.487 291 K HA 0.131 4.451 4.320 -0.000 0.000 0.192 291 K C -0.699 175.564 176.600 -0.562 0.000 1.027 291 K CA 0.333 56.416 56.287 -0.340 0.000 1.054 291 K CB -0.306 31.891 32.500 -0.505 0.000 0.824 291 K HN 0.635 nan 8.250 nan 0.000 0.510 292 Y N 1.340 121.669 120.300 0.049 0.000 2.747 292 Y HA 0.190 4.740 4.550 -0.000 0.000 0.362 292 Y C -1.469 174.463 175.900 0.053 0.000 1.026 292 Y CA -2.269 55.862 58.100 0.052 0.000 1.135 292 Y CB 0.871 39.370 38.460 0.064 0.000 1.175 292 Y HN -0.051 nan 8.280 nan 0.000 0.643 293 P HA -0.211 nan 4.420 nan 0.000 0.216 293 P C 0.634 177.991 177.300 0.094 0.000 1.150 293 P CA 1.588 64.741 63.100 0.088 0.000 0.843 293 P CB 0.586 32.315 31.700 0.048 0.000 0.787 294 N N -0.194 118.565 118.700 0.098 0.000 2.244 294 N HA -0.093 4.646 4.740 -0.000 0.000 0.183 294 N C 1.839 177.392 175.510 0.072 0.000 1.016 294 N CA 0.505 53.601 53.050 0.076 0.000 0.866 294 N CB -1.028 37.501 38.487 0.069 0.000 0.980 294 N HN 0.134 nan 8.380 nan 0.000 0.430 295 L N 1.032 122.316 121.223 0.103 0.000 2.046 295 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 295 L C 2.007 178.912 176.870 0.059 0.000 1.077 295 L CA 1.179 56.059 54.840 0.066 0.000 0.747 295 L CB -0.887 41.231 42.059 0.098 0.000 0.896 295 L HN 0.075 nan 8.230 nan 0.000 0.432 296 L N 0.078 121.356 121.223 0.092 0.000 2.012 296 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 296 L C 2.275 179.177 176.870 0.054 0.000 1.073 296 L CA 1.849 56.732 54.840 0.072 0.000 0.748 296 L CB -1.160 40.948 42.059 0.082 0.000 0.891 296 L HN 0.393 nan 8.230 nan 0.000 0.431 297 N N -0.368 118.365 118.700 0.055 0.000 2.084 297 N HA -0.210 4.530 4.740 -0.000 0.000 0.190 297 N C 1.778 177.304 175.510 0.026 0.000 1.030 297 N CA 1.771 54.846 53.050 0.043 0.000 0.849 297 N CB -0.324 38.186 38.487 0.039 0.000 1.012 297 N HN 0.602 nan 8.380 nan 0.000 0.423 298 Q N 0.587 120.397 119.800 0.017 0.000 2.084 298 Q HA -0.030 4.310 4.340 -0.000 0.000 0.202 298 Q C 2.294 178.292 176.000 -0.004 0.000 0.978 298 Q CA 0.876 56.677 55.803 -0.003 0.000 0.844 298 Q CB -0.169 28.558 28.738 -0.018 0.000 0.898 298 Q HN 0.385 nan 8.270 nan 0.000 0.426 299 L N 0.006 121.231 121.223 0.003 0.000 2.093 299 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 299 L C 2.220 179.113 176.870 0.038 0.000 1.085 299 L CA 0.343 55.199 54.840 0.027 0.000 0.755 299 L CB -0.303 41.775 42.059 0.031 0.000 0.904 299 L HN 0.219 nan 8.230 nan 0.000 0.435 300 L N -0.108 121.134 121.223 0.033 0.000 2.083 300 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 300 L C 2.124 179.010 176.870 0.026 0.000 1.083 300 L CA 1.749 56.611 54.840 0.037 0.000 0.752 300 L CB -0.737 41.351 42.059 0.049 0.000 0.899 300 L HN 0.247 nan 8.230 nan 0.000 0.433 301 D N -1.048 119.361 120.400 0.015 0.000 2.224 301 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 301 D C 2.256 178.550 176.300 -0.009 0.000 0.965 301 D CA 0.938 54.939 54.000 0.001 0.000 0.852 301 D CB 0.138 40.932 40.800 -0.010 0.000 0.947 301 D HN 0.329 nan 8.370 nan 0.000 0.494 302 L N 0.368 121.591 121.223 0.001 0.000 2.341 302 L HA -0.018 4.322 4.340 -0.000 0.000 0.214 302 L C 2.520 179.418 176.870 0.046 0.000 1.115 302 L CA 0.231 55.073 54.840 0.003 0.000 0.820 302 L CB -0.239 41.842 42.059 0.037 0.000 0.944 302 L HN -0.044 nan 8.230 nan 0.000 0.452 303 Q N 1.056 120.883 119.800 0.044 0.000 2.029 303 Q HA -0.237 4.103 4.340 -0.000 0.000 0.209 303 Q C -0.469 175.552 176.000 0.035 0.000 0.999 303 Q CA 2.426 58.253 55.803 0.039 0.000 0.857 303 Q CB -0.796 27.956 28.738 0.024 0.000 0.926 303 Q HN 0.274 nan 8.270 nan 0.000 0.415 304 P HA -0.176 nan 4.420 nan 0.000 0.216 304 P C 1.023 178.345 177.300 0.036 0.000 1.150 304 P CA 2.124 65.237 63.100 0.022 0.000 0.843 304 P CB -0.010 31.697 31.700 0.012 0.000 0.787 305 S N -1.894 113.831 115.700 0.042 0.000 2.460 305 S HA -0.007 4.463 4.470 -0.000 0.000 0.185 305 S C 1.539 176.250 174.600 0.185 0.000 0.908 305 S CA 0.078 58.324 58.200 0.076 0.000 0.894 305 S CB -1.466 61.734 63.200 -0.001 0.000 0.855 305 S HN 0.170 nan 8.310 nan 0.000 0.574 306 H N 2.021 121.115 119.070 0.040 0.000 2.898 306 H HA 0.315 4.871 4.556 -0.000 0.000 0.291 306 H C 0.837 176.192 175.328 0.045 0.000 1.101 306 H CA -0.156 55.922 56.048 0.050 0.000 1.210 306 H CB -0.233 29.561 29.762 0.053 0.000 1.278 306 H HN 0.355 nan 8.280 nan 0.000 0.640 307 S N 0.970 116.749 115.700 0.133 0.000 2.611 307 S HA 0.168 4.638 4.470 -0.000 0.000 0.252 307 S C 0.272 174.864 174.600 -0.015 0.000 1.369 307 S CA 0.315 58.544 58.200 0.047 0.000 0.975 307 S CB 0.575 63.790 63.200 0.026 0.000 0.937 307 S HN 0.673 nan 8.310 nan 0.000 0.584 308 S N -0.354 115.293 115.700 -0.088 0.000 2.732 308 S HA 0.207 4.677 4.470 -0.000 0.000 0.276 308 S C -2.820 171.595 174.600 -0.308 0.000 0.917 308 S CA -0.456 57.649 58.200 -0.159 0.000 0.985 308 S CB 0.438 63.493 63.200 -0.242 0.000 1.244 308 S HN 0.470 nan 8.310 nan 0.000 0.458 309 P HA -0.038 nan 4.420 nan 0.000 0.221 309 P C 1.081 178.044 177.300 -0.562 0.000 1.150 309 P CA 1.236 64.043 63.100 -0.488 0.000 0.800 309 P CB -0.348 31.056 31.700 -0.495 0.000 0.787 310 Y N -0.140 119.897 120.300 -0.439 0.000 2.200 310 Y HA -0.124 4.425 4.550 -0.000 0.000 0.290 310 Y C 2.612 177.878 175.900 -1.058 0.000 1.137 310 Y CA 0.259 57.885 58.100 -0.790 0.000 1.163 310 Y CB -1.249 36.408 38.460 -1.338 0.000 0.988 310 Y HN -0.113 nan 8.280 nan 0.000 0.518 311 L N 0.112 120.786 121.223 -0.916 0.000 2.056 311 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 311 L C 1.972 178.688 176.870 -0.256 0.000 1.078 311 L CA 1.477 55.928 54.840 -0.648 0.000 0.749 311 L CB -0.857 41.062 42.059 -0.233 0.000 0.901 311 L HN 0.146 nan 8.230 nan 0.000 0.433 312 I N 0.268 120.687 120.570 -0.253 0.000 2.226 312 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 312 I C 2.673 178.663 176.117 -0.212 0.000 1.100 312 I CA 1.420 62.596 61.300 -0.207 0.000 1.374 312 I CB -1.946 35.901 38.000 -0.254 0.000 1.057 312 I HN 0.341 nan 8.210 nan 0.000 0.413 313 A N 0.162 122.856 122.820 -0.210 0.000 1.930 313 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 313 A C 2.322 179.937 177.584 0.052 0.000 1.175 313 A CA 1.128 53.133 52.037 -0.054 0.000 0.627 313 A CB -1.035 18.070 19.000 0.176 0.000 0.815 313 A HN 0.353 nan 8.150 nan 0.000 0.443 314 F N 0.392 120.274 119.950 -0.113 0.000 2.171 314 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 314 F C 1.965 177.711 175.800 -0.090 0.000 1.090 314 F CA 1.456 59.433 58.000 -0.038 0.000 1.293 314 F CB -0.078 38.933 39.000 0.018 0.000 1.013 314 F HN 0.132 nan 8.300 nan 0.000 0.486 315 L N -0.945 120.311 121.223 0.055 0.000 2.046 315 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 315 L C 2.308 178.947 176.870 -0.385 0.000 1.077 315 L CA 0.925 55.629 54.840 -0.227 0.000 0.747 315 L CB -0.874 41.047 42.059 -0.230 0.000 0.896 315 L HN -0.018 nan 8.230 nan 0.000 0.432 316 V N -0.206 119.630 119.914 -0.129 0.000 2.343 316 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 316 V C 2.117 178.230 176.094 0.032 0.000 1.051 316 V CA 1.857 64.174 62.300 0.028 0.000 1.036 316 V CB -0.564 31.306 31.823 0.079 0.000 0.654 316 V HN 0.456 nan 8.190 nan 0.000 0.451 317 D N 0.037 120.419 120.400 -0.030 0.000 2.144 317 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 317 D C 2.092 178.325 176.300 -0.111 0.000 0.984 317 D CA 1.368 55.315 54.000 -0.088 0.000 0.834 317 D CB -0.116 40.520 40.800 -0.274 0.000 0.955 317 D HN 0.409 nan 8.370 nan 0.000 0.465 318 I N 0.061 120.534 120.570 -0.162 0.000 2.163 318 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 318 I C 2.328 178.444 176.117 -0.001 0.000 1.081 318 I CA 1.026 62.269 61.300 -0.095 0.000 1.353 318 I CB -0.393 37.536 38.000 -0.119 0.000 1.054 318 I HN 0.036 nan 8.210 nan 0.000 0.407 319 Y N 0.987 121.293 120.300 0.011 0.000 2.207 319 Y HA -0.277 4.272 4.550 -0.000 0.000 0.287 319 Y C 2.641 178.509 175.900 -0.053 0.000 1.156 319 Y CA 0.839 58.926 58.100 -0.022 0.000 1.182 319 Y CB -0.266 38.181 38.460 -0.023 0.000 0.979 319 Y HN 0.219 nan 8.280 nan 0.000 0.521 320 E N 0.222 120.497 120.200 0.125 0.000 2.038 320 E HA -0.272 4.078 4.350 -0.000 0.000 0.195 320 E C 1.634 178.253 176.600 0.031 0.000 1.000 320 E CA 1.697 58.135 56.400 0.063 0.000 0.803 320 E CB -0.181 29.560 29.700 0.069 0.000 0.750 320 E HN 0.390 nan 8.360 nan 0.000 0.448 321 D N -0.196 120.224 120.400 0.034 0.000 2.144 321 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 321 D C 1.935 178.248 176.300 0.021 0.000 0.978 321 D CA 1.009 55.028 54.000 0.030 0.000 0.833 321 D CB 0.117 40.935 40.800 0.030 0.000 0.961 321 D HN 0.075 nan 8.370 nan 0.000 0.470 322 M N -0.444 119.175 119.600 0.032 0.000 2.080 322 M HA -0.140 4.340 4.480 -0.000 0.000 0.260 322 M C 2.196 178.467 176.300 -0.050 0.000 1.068 322 M CA 1.137 56.450 55.300 0.021 0.000 1.109 322 M CB -0.294 32.355 32.600 0.082 0.000 1.342 322 M HN 0.110 nan 8.290 nan 0.000 0.405 323 L N -0.481 120.652 121.223 -0.149 0.000 2.191 323 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 323 L C 2.251 178.980 176.870 -0.235 0.000 1.103 323 L CA 0.843 55.445 54.840 -0.397 0.000 0.769 323 L CB -0.555 40.934 42.059 -0.950 0.000 0.908 323 L HN 0.253 nan 8.230 nan 0.000 0.438 324 E N 0.194 120.372 120.200 -0.038 0.000 2.358 324 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 324 E C 0.885 177.524 176.600 0.065 0.000 1.010 324 E CA 0.582 57.052 56.400 0.117 0.000 0.856 324 E CB 0.140 29.900 29.700 0.099 0.000 0.795 324 E HN 0.330 nan 8.360 nan 0.000 0.504 325 N N 1.087 119.801 118.700 0.023 0.000 2.389 325 N HA 0.019 4.758 4.740 -0.000 0.000 0.260 325 N C -0.815 174.700 175.510 0.009 0.000 1.191 325 N CA 0.003 53.063 53.050 0.017 0.000 0.885 325 N CB 0.853 39.345 38.487 0.009 0.000 1.162 325 N HN 0.018 nan 8.380 nan 0.000 0.512 326 Q N -0.250 119.558 119.800 0.013 0.000 2.443 326 Q HA -0.173 4.166 4.340 -0.000 0.000 0.337 326 Q C 0.467 176.464 176.000 -0.004 0.000 1.401 326 Q CA 0.543 56.352 55.803 0.009 0.000 0.943 326 Q CB -2.650 26.096 28.738 0.013 0.000 1.177 326 Q HN 0.653 nan 8.270 nan 0.000 0.394 327 C N -1.661 117.629 119.300 -0.017 0.000 2.580 327 C HA 0.520 4.980 4.460 -0.000 0.000 0.371 327 C C 0.850 175.830 174.990 -0.017 0.000 1.308 327 C CA -0.989 58.021 59.018 -0.014 0.000 2.428 327 C CB 0.820 28.551 27.740 -0.015 0.000 2.529 327 C HN 0.431 nan 8.230 nan 0.000 0.657 328 D N 1.454 121.847 120.400 -0.012 0.000 2.344 328 D HA 0.130 4.770 4.640 -0.000 0.000 0.244 328 D C 0.196 176.482 176.300 -0.024 0.000 1.134 328 D CA 0.549 54.541 54.000 -0.014 0.000 0.930 328 D CB 0.263 41.059 40.800 -0.007 0.000 1.175 328 D HN 0.731 nan 8.370 nan 0.000 0.437 329 N N 0.906 119.590 118.700 -0.026 0.000 2.725 329 N HA -0.205 4.535 4.740 -0.000 0.000 0.251 329 N C 0.870 176.346 175.510 -0.057 0.000 1.031 329 N CA 0.452 53.479 53.050 -0.038 0.000 0.720 329 N CB -0.638 37.826 38.487 -0.039 0.000 0.930 329 N HN 0.405 nan 8.380 nan 0.000 0.543 330 K N 1.209 121.579 120.400 -0.049 0.000 2.020 330 K HA -0.147 4.172 4.320 -0.000 0.000 0.212 330 K C 1.647 178.203 176.600 -0.074 0.000 1.050 330 K CA 1.607 57.857 56.287 -0.063 0.000 0.929 330 K CB 0.029 32.508 32.500 -0.035 0.000 0.714 330 K HN 0.241 nan 8.250 nan 0.000 0.443 331 E N 0.448 120.616 120.200 -0.054 0.000 2.058 331 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 331 E C 1.915 178.466 176.600 -0.082 0.000 0.997 331 E CA 1.651 58.018 56.400 -0.055 0.000 0.801 331 E CB -0.536 29.140 29.700 -0.039 0.000 0.746 331 E HN 0.497 nan 8.360 nan 0.000 0.450 332 D N 0.139 120.486 120.400 -0.089 0.000 2.117 332 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 332 D C 1.881 178.066 176.300 -0.193 0.000 0.987 332 D CA 0.792 54.724 54.000 -0.115 0.000 0.829 332 D CB 0.036 40.780 40.800 -0.094 0.000 0.961 332 D HN -0.004 nan 8.370 nan 0.000 0.460 333 I N 0.479 120.917 120.570 -0.219 0.000 2.226 333 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 333 I C 2.365 178.271 176.117 -0.351 0.000 1.100 333 I CA 0.638 61.716 61.300 -0.370 0.000 1.374 333 I CB -1.169 36.679 38.000 -0.254 0.000 1.057 333 I HN 0.241 nan 8.210 nan 0.000 0.413 334 L N 1.517 122.618 121.223 -0.203 0.000 2.046 334 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 334 L C 2.252 179.047 176.870 -0.125 0.000 1.077 334 L CA 1.896 56.655 54.840 -0.135 0.000 0.747 334 L CB -1.093 40.925 42.059 -0.069 0.000 0.896 334 L HN 0.308 nan 8.230 nan 0.000 0.432 335 N N -0.545 118.078 118.700 -0.128 0.000 2.120 335 N HA -0.219 4.521 4.740 -0.000 0.000 0.188 335 N C 1.699 177.133 175.510 -0.127 0.000 1.024 335 N CA 1.275 54.263 53.050 -0.104 0.000 0.852 335 N CB 0.072 38.506 38.487 -0.089 0.000 1.003 335 N HN 0.361 nan 8.380 nan 0.000 0.424 336 K N 1.021 121.294 120.400 -0.212 0.000 2.026 336 K HA -0.068 4.252 4.320 -0.000 0.000 0.208 336 K C 2.126 178.641 176.600 -0.141 0.000 1.048 336 K CA 1.123 57.272 56.287 -0.230 0.000 0.929 336 K CB -0.674 31.532 32.500 -0.490 0.000 0.713 336 K HN 0.260 nan 8.250 nan 0.000 0.439 337 A N 1.706 124.418 122.820 -0.179 0.000 1.902 337 A HA -0.124 4.195 4.320 -0.000 0.000 0.217 337 A C 2.375 179.965 177.584 0.009 0.000 1.181 337 A CA 1.287 53.346 52.037 0.036 0.000 0.623 337 A CB -0.693 18.336 19.000 0.048 0.000 0.818 337 A HN 0.180 nan 8.150 nan 0.000 0.443 338 L N -0.745 120.460 121.223 -0.029 0.000 2.093 338 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 338 L C 2.604 179.454 176.870 -0.033 0.000 1.085 338 L CA 1.556 56.383 54.840 -0.023 0.000 0.755 338 L CB -0.654 41.388 42.059 -0.028 0.000 0.904 338 L HN 0.490 nan 8.230 nan 0.000 0.435 339 E N 0.236 120.410 120.200 -0.043 0.000 2.077 339 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 339 E C 2.344 178.907 176.600 -0.062 0.000 0.989 339 E CA 1.061 57.434 56.400 -0.046 0.000 0.800 339 E CB -0.124 29.550 29.700 -0.044 0.000 0.746 339 E HN 0.479 nan 8.360 nan 0.000 0.452 340 L N 0.375 121.562 121.223 -0.059 0.000 2.093 340 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 340 L C 2.633 179.368 176.870 -0.225 0.000 1.085 340 L CA 0.632 55.400 54.840 -0.119 0.000 0.755 340 L CB -0.430 41.586 42.059 -0.071 0.000 0.904 340 L HN 0.305 nan 8.230 nan 0.000 0.435 341 C N 0.037 119.244 119.300 -0.155 0.000 2.429 341 C HA -0.171 4.289 4.460 -0.000 0.000 0.277 341 C C 2.797 177.724 174.990 -0.105 0.000 1.262 341 C CA 1.181 60.117 59.018 -0.137 0.000 1.733 341 C CB -0.562 27.205 27.740 0.044 0.000 2.010 341 C HN 0.559 nan 8.230 nan 0.000 0.483 342 E N 1.238 121.397 120.200 -0.069 0.000 2.072 342 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 342 E C 1.808 178.362 176.600 -0.078 0.000 0.985 342 E CA 1.416 57.789 56.400 -0.044 0.000 0.801 342 E CB -0.477 29.203 29.700 -0.033 0.000 0.750 342 E HN 0.611 nan 8.360 nan 0.000 0.452 343 I N 0.210 120.709 120.570 -0.117 0.000 2.226 343 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 343 I C 2.290 178.300 176.117 -0.179 0.000 1.100 343 I CA 0.955 62.178 61.300 -0.128 0.000 1.374 343 I CB -0.228 37.693 38.000 -0.132 0.000 1.057 343 I HN 0.189 nan 8.210 nan 0.000 0.413 344 L N 0.330 121.362 121.223 -0.318 0.000 2.027 344 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 344 L C 2.804 179.562 176.870 -0.187 0.000 1.074 344 L CA 1.371 55.938 54.840 -0.455 0.000 0.745 344 L CB -0.654 40.677 42.059 -1.213 0.000 0.898 344 L HN 0.211 nan 8.230 nan 0.000 0.433 345 A N -0.132 122.651 122.820 -0.063 0.000 1.930 345 A HA -0.214 4.105 4.320 -0.000 0.000 0.217 345 A C 2.283 179.902 177.584 0.060 0.000 1.175 345 A CA 1.960 54.069 52.037 0.120 0.000 0.627 345 A CB -0.256 18.838 19.000 0.157 0.000 0.815 345 A HN 0.260 nan 8.150 nan 0.000 0.443 346 K N -0.803 119.601 120.400 0.006 0.000 2.284 346 K HA 0.108 4.427 4.320 -0.000 0.000 0.198 346 K C 1.655 178.249 176.600 -0.010 0.000 1.048 346 K CA 1.524 57.812 56.287 0.002 0.000 0.987 346 K CB 0.112 32.607 32.500 -0.008 0.000 0.800 346 K HN 0.528 nan 8.250 nan 0.000 0.486 347 E N -0.896 119.284 120.200 -0.033 0.000 2.940 347 E HA 0.079 4.429 4.350 -0.000 0.000 0.203 347 E C 1.042 177.613 176.600 -0.048 0.000 0.995 347 E CA -0.010 56.368 56.400 -0.036 0.000 1.396 347 E CB 0.319 29.994 29.700 -0.042 0.000 1.310 347 E HN 0.041 nan 8.360 nan 0.000 0.613 348 K N 0.045 120.394 120.400 -0.084 0.000 2.361 348 K HA 0.016 4.336 4.320 -0.000 0.000 0.196 348 K C -0.060 176.480 176.600 -0.099 0.000 1.039 348 K CA 0.864 57.088 56.287 -0.105 0.000 1.001 348 K CB 0.377 32.785 32.500 -0.154 0.000 0.795 348 K HN -0.052 nan 8.250 nan 0.000 0.495 349 D N -0.071 120.297 120.400 -0.054 0.000 3.256 349 D HA -0.008 4.632 4.640 -0.000 0.000 0.332 349 D C 0.749 177.136 176.300 0.145 0.000 1.327 349 D CA 0.006 54.034 54.000 0.047 0.000 0.735 349 D CB 0.316 41.187 40.800 0.119 0.000 1.280 349 D HN 0.055 nan 8.370 nan 0.000 0.572 350 T N -1.723 112.879 114.554 0.080 0.000 2.849 350 T HA -0.203 4.146 4.350 -0.000 0.000 0.270 350 T C 1.967 176.728 174.700 0.101 0.000 1.066 350 T CA 0.627 62.781 62.100 0.091 0.000 1.130 350 T CB -0.190 68.706 68.868 0.047 0.000 0.864 350 T HN 0.245 nan 8.240 nan 0.000 0.481 351 I N 1.163 121.783 120.570 0.084 0.000 2.454 351 I HA 0.029 4.199 4.170 -0.000 0.000 0.254 351 I C 2.045 178.208 176.117 0.076 0.000 1.156 351 I CA 1.095 62.433 61.300 0.063 0.000 1.433 351 I CB -0.223 37.803 38.000 0.043 0.000 1.082 351 I HN 0.127 nan 8.210 nan 0.000 0.432 352 R N 0.090 120.673 120.500 0.140 0.000 2.609 352 R HA 0.094 4.434 4.340 -0.000 0.000 0.326 352 R C 1.776 178.209 176.300 0.221 0.000 1.090 352 R CA -0.025 56.149 56.100 0.123 0.000 1.072 352 R CB 0.056 30.392 30.300 0.061 0.000 1.330 352 R HN 0.417 nan 8.270 nan 0.000 0.572 353 K N 0.324 120.853 120.400 0.214 0.000 2.074 353 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 353 K C 1.066 177.767 176.600 0.169 0.000 1.048 353 K CA 1.233 57.650 56.287 0.218 0.000 0.926 353 K CB 0.039 32.618 32.500 0.132 0.000 0.713 353 K HN -0.001 nan 8.250 nan 0.000 0.444 354 E N 0.488 120.754 120.200 0.109 0.000 2.077 354 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 354 E C 1.938 178.590 176.600 0.087 0.000 0.989 354 E CA 1.173 57.622 56.400 0.081 0.000 0.800 354 E CB -0.421 29.306 29.700 0.045 0.000 0.746 354 E HN 0.519 nan 8.360 nan 0.000 0.452 355 Y N -0.369 119.876 120.300 -0.090 0.000 2.163 355 Y HA -0.214 4.336 4.550 -0.000 0.000 0.288 355 Y C 2.047 177.854 175.900 -0.154 0.000 1.136 355 Y CA 1.676 59.657 58.100 -0.198 0.000 1.147 355 Y CB -0.673 37.515 38.460 -0.454 0.000 0.987 355 Y HN 0.017 nan 8.280 nan 0.000 0.509 356 W N 0.395 121.705 121.300 0.017 0.000 2.402 356 W HA -0.136 4.524 4.660 -0.000 0.000 0.286 356 W C 2.342 178.803 176.519 -0.097 0.000 1.221 356 W CA 0.544 57.834 57.345 -0.092 0.000 1.257 356 W CB -0.070 29.402 29.460 0.021 0.000 1.120 356 W HN -0.152 nan 8.180 nan 0.000 0.551 357 R N -0.435 120.159 120.500 0.158 0.000 2.092 357 R HA -0.173 4.167 4.340 -0.000 0.000 0.231 357 R C 1.896 178.219 176.300 0.038 0.000 1.119 357 R CA 1.340 57.495 56.100 0.093 0.000 0.970 357 R CB -1.624 28.729 30.300 0.088 0.000 0.864 357 R HN 0.387 nan 8.270 nan 0.000 0.440 358 Y N 1.437 121.675 120.300 -0.103 0.000 2.181 358 Y HA -0.160 4.390 4.550 -0.000 0.000 0.288 358 Y C 2.030 177.829 175.900 -0.168 0.000 1.146 358 Y CA 1.228 59.245 58.100 -0.138 0.000 1.164 358 Y CB -0.248 38.106 38.460 -0.176 0.000 0.982 358 Y HN -0.157 nan 8.280 nan 0.000 0.515 359 I N 0.602 120.923 120.570 -0.416 0.000 2.226 359 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 359 I C 2.672 178.654 176.117 -0.224 0.000 1.100 359 I CA 1.599 62.651 61.300 -0.414 0.000 1.374 359 I CB -2.000 35.851 38.000 -0.248 0.000 1.057 359 I HN 0.447 nan 8.210 nan 0.000 0.413 360 G N 0.870 109.611 108.800 -0.098 0.000 2.446 360 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 360 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 360 G C 1.887 176.731 174.900 -0.094 0.000 1.168 360 G CA 0.380 45.449 45.100 -0.050 0.000 0.771 360 G HN 0.330 nan 8.290 nan 0.000 0.551 361 R N 0.399 120.818 120.500 -0.135 0.000 2.092 361 R HA -0.001 4.339 4.340 -0.000 0.000 0.231 361 R C 3.005 179.189 176.300 -0.194 0.000 1.119 361 R CA 1.308 57.329 56.100 -0.131 0.000 0.970 361 R CB -0.377 29.865 30.300 -0.097 0.000 0.864 361 R HN 0.317 nan 8.270 nan 0.000 0.440 362 S N 1.558 117.045 115.700 -0.356 0.000 2.356 362 S HA -0.105 4.364 4.470 -0.000 0.000 0.223 362 S C 2.044 176.533 174.600 -0.185 0.000 1.032 362 S CA 1.093 59.081 58.200 -0.354 0.000 1.005 362 S CB -0.263 62.591 63.200 -0.576 0.000 0.867 362 S HN 0.202 nan 8.310 nan 0.000 0.449 363 L N 1.212 122.367 121.223 -0.113 0.000 2.042 363 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 363 L C 2.756 179.648 176.870 0.036 0.000 1.076 363 L CA 1.387 56.253 54.840 0.044 0.000 0.749 363 L CB -0.549 41.543 42.059 0.055 0.000 0.893 363 L HN 0.374 nan 8.230 nan 0.000 0.432 364 Q N -0.657 119.125 119.800 -0.030 0.000 2.172 364 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 364 Q C 2.420 178.381 176.000 -0.065 0.000 0.964 364 Q CA 1.652 57.437 55.803 -0.031 0.000 0.855 364 Q CB -0.028 28.689 28.738 -0.035 0.000 0.918 364 Q HN 0.609 nan 8.270 nan 0.000 0.444 365 S N 0.279 115.919 115.700 -0.099 0.000 2.428 365 S HA -0.052 4.418 4.470 -0.000 0.000 0.230 365 S C 1.613 176.115 174.600 -0.163 0.000 1.014 365 S CA 0.674 58.809 58.200 -0.109 0.000 0.957 365 S CB 0.068 63.206 63.200 -0.103 0.000 0.784 365 S HN 0.213 nan 8.310 nan 0.000 0.499 366 K N -0.059 120.179 120.400 -0.271 0.000 2.308 366 K HA 0.248 4.568 4.320 -0.000 0.000 0.197 366 K C 0.089 176.271 176.600 -0.698 0.000 1.049 366 K CA 0.523 56.493 56.287 -0.528 0.000 0.991 366 K CB 0.162 32.199 32.500 -0.771 0.000 0.836 366 K HN 0.566 nan 8.250 nan 0.000 0.500 367 H N 0.000 119.050 119.070 -0.034 0.000 2.539 367 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 367 H CA 0.000 56.031 56.048 -0.029 0.000 1.023 367 H CB 0.000 29.745 29.762 -0.028 0.000 1.292 367 H HN 0.000 nan 8.280 nan 0.000 0.496