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 3eqn_1_A DATA FIRST_RESID 1 DATA SEQUENCE LGSTcSSPLT HGSAAPGDPF WLQNIQHQGI AAFNGNPGGY PVFRNVKNYG DATA SEQUENCE AKGDGNTDDT AAIQAAINAG GRcGQGcDST TTQPALVYFP PGTYKVSSPL DATA SEQUENCE VVLYQTQLIG DAKNLPTLLA APNFSGIALI DADPYLAGGA QYYVNQNNFF DATA SEQUENCE RSVRNFVIDL RQVSGSATGI HWQVSQATSL INIVFQMSTA AGNQHQGIFM DATA SEQUENCE ENGSGGFLGD LVFNGGNIGA TFGNQQFTVR NLTFNNANTA INAIWNWGWT DATA SEQUENCE FQRITINNCQ VGFDLTQGGT SNTGAQGVGA EAIIDAVVTN TQTFVRWSGA DATA SEQUENCE SSGHLQGSLV LNNIQLTNVP VAVGVKGGPT VLAGGTTTIN SWAQGNVYHG DATA SEQUENCE TNGNPTFTQG NIANINRPGV LLDSTGRIVS KSHPQYTGYA PSDFVSVRSQ DATA SEQUENCE GAKGDGHTDD TQAIKNVFAK YAGcKIIFFD AGTYIVTDTI QIPAGTQIVG DATA SEQUENCE EVWSVIMGTG SKFTDYNNPQ PVIQVGAPGS SGVVEITDMI FTTRGPAAGA DATA SEQUENCE IIVEWNVHDP SGQQAAAGAW DTHLIIGGTA QSGLQVGQcP TSGAGGNNcF DATA SEQUENCE ADFLGLHLTS GSSAYLEGMW VWLADHDLDS GGSQQISLWS NGGIMSESQG DATA SEQUENCE PVWLIGTASE HHINYQYFLK NAANHYIGLA QTETPYFQPN PNPPAPFITN DATA SEQUENCE SNFDPSQLGQ GDAWAMTVQN SHGILVFGAG FYSFFSAYNT GcQSPQNcQN DATA SEQUENCE QIVNVDSSSD IAFYSLTTVD TTWQFSVNAQ GVINRSNNPN GFADTITAWT DATA SEQUENCE RN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.862 176.870 -0.013 0.000 1.165 1 L CA 0.000 54.837 54.840 -0.004 0.000 0.813 1 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 2 G N 0.989 109.781 108.800 -0.013 0.000 2.491 2 G HA2 0.362 4.359 3.960 0.061 0.000 0.238 2 G HA3 0.362 4.359 3.960 0.061 0.000 0.238 2 G C 0.899 175.745 174.900 -0.090 0.000 1.277 2 G CA 0.233 45.303 45.100 -0.051 0.000 0.851 2 G HN 1.073 nan 8.290 nan 0.000 0.573 3 S N -0.052 115.573 115.700 -0.126 0.000 2.447 3 S HA -0.185 4.322 4.470 0.061 0.000 0.233 3 S C 2.163 176.681 174.600 -0.136 0.000 1.006 3 S CA 1.653 59.783 58.200 -0.117 0.000 0.957 3 S CB -0.531 62.601 63.200 -0.113 0.000 0.773 3 S HN 0.912 nan 8.310 nan 0.000 0.507 4 T N -0.758 113.671 114.554 -0.207 0.000 3.085 4 T HA 0.151 4.538 4.350 0.061 0.000 0.263 4 T C 0.972 175.620 174.700 -0.087 0.000 1.127 4 T CA 0.253 62.246 62.100 -0.179 0.000 1.103 4 T CB -1.268 67.423 68.868 -0.296 0.000 0.921 4 T HN 0.789 nan 8.240 nan 0.000 0.510 5 c N -0.892 117.667 118.600 -0.068 0.000 3.154 5 c HA 0.893 5.500 4.570 0.061 0.000 0.312 5 c C 1.013 175.085 174.090 -0.031 0.000 1.349 5 c CA -0.349 55.958 56.329 -0.037 0.000 1.518 5 c CB 1.690 44.187 42.510 -0.021 0.000 1.934 5 c HN 0.131 nan 8.230 nan 0.000 0.462 6 S N 0.006 115.694 115.700 -0.020 0.000 2.589 6 S HA 0.308 4.815 4.470 0.061 0.000 0.235 6 S C 0.303 174.899 174.600 -0.007 0.000 1.051 6 S CA 0.031 58.222 58.200 -0.015 0.000 0.978 6 S CB 0.186 63.377 63.200 -0.014 0.000 0.929 6 S HN 0.858 nan 8.310 nan 0.000 0.523 7 S N 2.625 118.322 115.700 -0.005 0.000 2.542 7 S HA 0.627 5.134 4.470 0.061 0.000 0.293 7 S C -2.936 171.667 174.600 0.005 0.000 1.089 7 S CA -1.204 56.999 58.200 0.004 0.000 0.961 7 S CB 1.585 64.790 63.200 0.009 0.000 1.062 7 S HN 0.009 nan 8.310 nan 0.000 0.483 8 P HA 0.220 nan 4.420 nan 0.000 0.271 8 P C -0.794 176.517 177.300 0.017 0.000 1.216 8 P CA -0.672 62.438 63.100 0.017 0.000 0.776 8 P CB 0.302 32.020 31.700 0.030 0.000 0.881 9 L N 3.568 124.794 121.223 0.004 0.000 2.456 9 L HA 0.162 4.539 4.340 0.061 0.000 0.277 9 L C 1.039 177.939 176.870 0.051 0.000 1.124 9 L CA 1.021 55.852 54.840 -0.013 0.000 0.880 9 L CB -0.320 41.718 42.059 -0.034 0.000 1.192 9 L HN 0.527 nan 8.230 nan 0.000 0.463 10 T N 0.458 115.059 114.554 0.079 0.000 3.010 10 T HA 0.275 4.661 4.350 0.061 0.000 0.257 10 T C 0.294 175.146 174.700 0.253 0.000 1.020 10 T CA 0.404 62.609 62.100 0.177 0.000 0.938 10 T CB -0.312 68.668 68.868 0.186 0.000 1.049 10 T HN 0.744 nan 8.240 nan 0.000 0.522 11 H N -1.175 117.862 119.070 -0.054 0.000 3.037 11 H HA 0.608 5.200 4.556 0.061 0.000 0.336 11 H C -0.260 174.659 175.328 -0.682 0.000 1.323 11 H CA -1.047 54.859 56.048 -0.237 0.000 1.159 11 H CB 1.109 30.790 29.762 -0.135 0.000 1.882 11 H HN 0.149 nan 8.280 nan 0.000 0.535 12 G N -0.320 107.747 108.800 -1.222 0.000 2.572 12 G HA2 0.342 4.339 3.960 0.061 0.000 0.261 12 G HA3 0.342 4.339 3.960 0.061 0.000 0.261 12 G C -0.026 174.558 174.900 -0.526 0.000 1.197 12 G CA -0.254 44.043 45.100 -1.340 0.000 0.870 12 G HN 0.526 nan 8.290 nan 0.000 0.548 13 S N -0.085 115.418 115.700 -0.329 0.000 2.540 13 S HA 0.359 4.866 4.470 0.061 0.000 0.218 13 S C 1.237 175.807 174.600 -0.050 0.000 0.977 13 S CA 0.135 58.237 58.200 -0.164 0.000 0.918 13 S CB 0.352 63.469 63.200 -0.138 0.000 0.806 13 S HN 0.962 nan 8.310 nan 0.000 0.496 14 A N 1.968 124.785 122.820 -0.005 0.000 2.498 14 A HA 0.644 5.000 4.320 0.061 0.000 0.239 14 A C 0.654 178.269 177.584 0.052 0.000 1.068 14 A CA -0.235 51.838 52.037 0.060 0.000 0.766 14 A CB -0.086 18.996 19.000 0.138 0.000 1.003 14 A HN 0.482 nan 8.150 nan 0.000 0.497 15 A N 3.924 126.774 122.820 0.051 0.000 2.462 15 A HA 0.490 4.846 4.320 0.061 0.000 0.243 15 A C -1.111 176.511 177.584 0.063 0.000 1.076 15 A CA -0.901 51.164 52.037 0.047 0.000 0.773 15 A CB -0.345 18.678 19.000 0.038 0.000 1.010 15 A HN 0.637 nan 8.150 nan 0.000 0.493 16 P HA -0.141 nan 4.420 nan 0.000 0.216 16 P C 1.294 178.632 177.300 0.064 0.000 1.150 16 P CA 2.042 65.178 63.100 0.059 0.000 0.843 16 P CB 0.160 31.885 31.700 0.042 0.000 0.787 17 G N -1.742 107.091 108.800 0.055 0.000 3.141 17 G HA2 -0.011 3.986 3.960 0.061 0.000 0.218 17 G HA3 -0.011 3.986 3.960 0.061 0.000 0.218 17 G C 0.022 174.961 174.900 0.065 0.000 1.170 17 G CA -0.113 45.019 45.100 0.053 0.000 0.769 17 G HN 0.157 nan 8.290 nan 0.000 0.546 18 D N 1.544 121.991 120.400 0.078 0.000 2.372 18 D HA 0.250 4.927 4.640 0.061 0.000 0.243 18 D C -1.881 174.489 176.300 0.118 0.000 1.121 18 D CA -1.153 52.900 54.000 0.088 0.000 0.898 18 D CB 1.559 42.413 40.800 0.092 0.000 1.202 18 D HN 0.085 nan 8.370 nan 0.000 0.428 19 P HA 0.074 nan 4.420 nan 0.000 0.274 19 P C 0.048 177.476 177.300 0.215 0.000 1.237 19 P CA -0.600 62.598 63.100 0.164 0.000 0.793 19 P CB 0.383 32.173 31.700 0.151 0.000 0.977 20 F N 3.280 123.276 119.950 0.077 0.000 2.635 20 F HA -0.113 4.450 4.527 0.059 0.000 0.379 20 F C 1.848 177.606 175.800 -0.069 0.000 1.094 20 F CA -0.366 57.649 58.000 0.024 0.000 1.300 20 F CB 0.087 39.077 39.000 -0.016 0.000 1.035 20 F HN 0.497 nan 8.300 nan 0.000 0.581 21 W N 5.358 126.328 121.300 -0.552 0.000 2.331 21 W HA -0.274 4.419 4.660 0.056 0.000 0.291 21 W C 1.458 177.544 176.519 -0.721 0.000 1.214 21 W CA 0.923 57.928 57.345 -0.568 0.000 1.228 21 W CB -1.339 27.802 29.460 -0.532 0.000 1.135 21 W HN 0.563 nan 8.180 nan 0.000 0.537 22 L N 1.964 122.183 121.223 -1.674 0.000 2.265 22 L HA -0.197 4.180 4.340 0.061 0.000 0.215 22 L C 2.947 179.316 176.870 -0.835 0.000 1.117 22 L CA 2.294 56.338 54.840 -1.327 0.000 0.782 22 L CB -1.075 40.172 42.059 -1.353 0.000 0.914 22 L HN 0.178 nan 8.230 nan 0.000 0.441 23 Q N -0.849 118.547 119.800 -0.673 0.000 2.046 23 Q HA -0.185 4.192 4.340 0.061 0.000 0.200 23 Q C 1.078 176.975 176.000 -0.171 0.000 0.975 23 Q CA 1.792 57.377 55.803 -0.363 0.000 0.836 23 Q CB 0.103 28.860 28.738 0.031 0.000 0.896 23 Q HN 0.549 nan 8.270 nan 0.000 0.428 24 N N -0.140 118.424 118.700 -0.228 0.000 2.205 24 N HA 0.148 4.925 4.740 0.061 0.000 0.201 24 N C 0.160 175.440 175.510 -0.383 0.000 1.128 24 N CA -0.085 52.834 53.050 -0.218 0.000 0.867 24 N CB 0.563 38.982 38.487 -0.113 0.000 0.996 24 N HN 0.254 nan 8.380 nan 0.000 0.503 25 I N 1.519 121.786 120.570 -0.505 0.000 2.948 25 I HA -0.140 4.067 4.170 0.061 0.000 0.290 25 I C 0.846 176.438 176.117 -0.875 0.000 1.226 25 I CA 0.048 60.979 61.300 -0.615 0.000 1.413 25 I CB 0.764 38.341 38.000 -0.705 0.000 1.352 25 I HN 0.075 nan 8.210 nan 0.000 0.597 26 Q N 5.709 125.153 119.800 -0.592 0.000 2.337 26 Q HA 0.026 4.402 4.340 0.061 0.000 0.270 26 Q C -1.077 174.599 176.000 -0.539 0.000 1.002 26 Q CA -0.194 55.299 55.803 -0.517 0.000 0.888 26 Q CB 0.427 29.018 28.738 -0.245 0.000 1.222 26 Q HN 0.505 nan 8.270 nan 0.000 0.400 27 H N 4.459 123.427 119.070 -0.169 0.000 2.685 27 H HA 0.141 4.733 4.556 0.061 0.000 0.286 27 H C -0.413 174.923 175.328 0.012 0.000 1.102 27 H CA -0.078 55.895 56.048 -0.125 0.000 1.254 27 H CB 0.773 30.395 29.762 -0.233 0.000 1.397 27 H HN 0.680 nan 8.280 nan 0.000 0.473 28 Q N 1.770 121.670 119.800 0.167 0.000 2.112 28 Q HA 0.208 4.585 4.340 0.061 0.000 0.222 28 Q C 1.025 177.118 176.000 0.154 0.000 0.798 28 Q CA -0.484 55.398 55.803 0.132 0.000 1.060 28 Q CB 1.545 30.338 28.738 0.091 0.000 1.184 28 Q HN 0.597 nan 8.270 nan 0.000 0.475 29 G N 2.034 110.956 108.800 0.203 0.000 2.491 29 G HA2 0.397 4.393 3.960 0.061 0.000 0.242 29 G HA3 0.397 4.393 3.960 0.061 0.000 0.242 29 G C -0.077 174.921 174.900 0.164 0.000 1.266 29 G CA -0.224 44.992 45.100 0.194 0.000 0.844 29 G HN 0.343 nan 8.290 nan 0.000 0.571 30 I N -0.830 119.811 120.570 0.118 0.000 2.647 30 I HA 0.771 4.978 4.170 0.061 0.000 0.295 30 I C -0.031 176.125 176.117 0.064 0.000 1.078 30 I CA -1.464 59.889 61.300 0.089 0.000 1.048 30 I CB 2.622 40.633 38.000 0.019 0.000 1.239 30 I HN 0.529 nan 8.210 nan 0.000 0.421 31 A N 4.594 127.452 122.820 0.063 0.000 2.621 31 A HA 0.706 5.063 4.320 0.061 0.000 0.329 31 A C 1.160 178.659 177.584 -0.141 0.000 1.458 31 A CA 0.021 52.033 52.037 -0.042 0.000 1.052 31 A CB 0.326 19.216 19.000 -0.182 0.000 1.142 31 A HN 1.146 nan 8.150 nan 0.000 0.523 32 A N 1.937 124.588 122.820 -0.282 0.000 1.948 32 A HA -0.047 4.310 4.320 0.061 0.000 0.220 32 A C 0.946 178.279 177.584 -0.419 0.000 1.177 32 A CA 1.621 53.360 52.037 -0.496 0.000 0.636 32 A CB -0.472 17.963 19.000 -0.941 0.000 0.815 32 A HN 0.766 nan 8.150 nan 0.000 0.449 33 F N -0.051 119.903 119.950 0.008 0.000 2.647 33 F HA 0.259 4.821 4.527 0.059 0.000 0.300 33 F C 0.769 176.543 175.800 -0.043 0.000 1.106 33 F CA -1.358 56.646 58.000 0.007 0.000 1.313 33 F CB -0.712 38.292 39.000 0.008 0.000 1.007 33 F HN 0.179 nan 8.300 nan 0.000 0.536 34 N N 0.960 119.663 118.700 0.006 0.000 2.415 34 N HA -0.003 4.774 4.740 0.061 0.000 0.248 34 N C 1.581 177.087 175.510 -0.007 0.000 1.271 34 N CA 0.741 53.734 53.050 -0.095 0.000 0.913 34 N CB 1.375 39.690 38.487 -0.287 0.000 1.129 34 N HN 0.337 nan 8.380 nan 0.000 0.444 35 G N 1.122 109.914 108.800 -0.013 0.000 2.448 35 G HA2 -0.234 3.763 3.960 0.061 0.000 0.219 35 G HA3 -0.234 3.763 3.960 0.061 0.000 0.219 35 G C 0.695 175.622 174.900 0.045 0.000 1.127 35 G CA 0.674 45.791 45.100 0.028 0.000 0.766 35 G HN 0.681 nan 8.290 nan 0.000 0.552 36 N N -0.499 118.232 118.700 0.053 0.000 2.752 36 N HA 0.319 5.096 4.740 0.061 0.000 0.260 36 N C -2.028 173.544 175.510 0.104 0.000 1.562 36 N CA -1.787 51.313 53.050 0.083 0.000 0.788 36 N CB 1.496 40.045 38.487 0.104 0.000 1.192 36 N HN -0.162 nan 8.380 nan 0.000 0.503 37 P HA -0.029 nan 4.420 nan 0.000 0.216 37 P C 1.232 178.596 177.300 0.107 0.000 1.150 37 P CA 1.079 64.225 63.100 0.076 0.000 0.843 37 P CB 0.172 31.894 31.700 0.037 0.000 0.787 38 G N -1.338 107.515 108.800 0.088 0.000 2.679 38 G HA2 0.013 4.010 3.960 0.061 0.000 0.212 38 G HA3 0.013 4.010 3.960 0.061 0.000 0.212 38 G C 1.291 176.248 174.900 0.095 0.000 1.137 38 G CA 0.707 45.856 45.100 0.081 0.000 0.787 38 G HN 0.428 nan 8.290 nan 0.000 0.534 39 G N -1.378 107.496 108.800 0.123 0.000 3.104 39 G HA2 0.232 4.229 3.960 0.061 0.000 0.237 39 G HA3 0.232 4.229 3.960 0.061 0.000 0.237 39 G C -0.245 174.745 174.900 0.150 0.000 1.035 39 G CA -0.409 44.761 45.100 0.117 0.000 0.844 39 G HN 0.273 nan 8.290 nan 0.000 0.531 40 Y N 3.590 123.928 120.300 0.063 0.000 2.383 40 Y HA 0.507 5.092 4.550 0.060 0.000 0.344 40 Y C -2.106 173.847 175.900 0.088 0.000 0.986 40 Y CA -2.635 55.508 58.100 0.071 0.000 1.175 40 Y CB 1.505 40.002 38.460 0.061 0.000 1.152 40 Y HN -0.055 nan 8.280 nan 0.000 0.511 41 P HA 0.086 nan 4.420 nan 0.000 0.287 41 P C 0.163 177.389 177.300 -0.122 0.000 1.281 41 P CA -0.124 62.920 63.100 -0.094 0.000 0.781 41 P CB 2.255 33.925 31.700 -0.049 0.000 0.903 42 V N 3.302 123.299 119.914 0.139 0.000 2.407 42 V HA -0.053 4.103 4.120 0.061 0.000 0.245 42 V C 1.093 177.301 176.094 0.190 0.000 1.041 42 V CA 1.094 63.528 62.300 0.224 0.000 1.040 42 V CB -0.738 31.264 31.823 0.300 0.000 0.671 42 V HN 0.477 nan 8.190 nan 0.000 0.455 43 F N 1.579 121.553 119.950 0.039 0.000 2.408 43 F HA 0.639 5.202 4.527 0.060 0.000 0.344 43 F C 0.236 176.002 175.800 -0.056 0.000 1.112 43 F CA -0.810 57.168 58.000 -0.037 0.000 1.096 43 F CB 0.749 39.644 39.000 -0.176 0.000 1.129 43 F HN -0.077 nan 8.300 nan 0.000 0.486 44 R N 4.125 124.295 120.500 -0.550 0.000 2.468 44 R HA 0.209 4.586 4.340 0.061 0.000 0.302 44 R C -1.062 174.967 176.300 -0.453 0.000 1.041 44 R CA -0.809 55.123 56.100 -0.280 0.000 0.899 44 R CB 0.846 30.960 30.300 -0.309 0.000 1.167 44 R HN 0.511 nan 8.270 nan 0.000 0.483 45 N N 2.732 121.329 118.700 -0.173 0.000 2.442 45 N HA -0.012 4.765 4.740 0.061 0.000 0.265 45 N C 1.243 176.748 175.510 -0.009 0.000 1.138 45 N CA -0.069 52.951 53.050 -0.050 0.000 0.956 45 N CB 1.478 40.081 38.487 0.194 0.000 1.067 45 N HN 0.459 nan 8.380 nan 0.000 0.474 46 V N 3.020 122.787 119.914 -0.245 0.000 2.469 46 V HA -0.199 3.958 4.120 0.061 0.000 0.251 46 V C 1.831 177.919 176.094 -0.009 0.000 1.064 46 V CA 1.442 63.585 62.300 -0.262 0.000 1.066 46 V CB -0.539 30.846 31.823 -0.731 0.000 0.667 46 V HN 0.575 nan 8.190 nan 0.000 0.461 47 K N 0.730 121.152 120.400 0.037 0.000 2.211 47 K HA -0.047 4.310 4.320 0.061 0.000 0.203 47 K C 1.788 178.423 176.600 0.058 0.000 1.050 47 K CA 1.304 57.646 56.287 0.092 0.000 0.945 47 K CB -0.361 32.211 32.500 0.120 0.000 0.732 47 K HN 0.485 nan 8.250 nan 0.000 0.451 48 N N 0.134 118.861 118.700 0.044 0.000 2.512 48 N HA -0.085 4.691 4.740 0.061 0.000 0.183 48 N C 0.390 175.736 175.510 -0.274 0.000 1.073 48 N CA 0.946 53.942 53.050 -0.090 0.000 0.911 48 N CB 0.118 38.536 38.487 -0.116 0.000 0.964 48 N HN 0.293 nan 8.380 nan 0.000 0.447 49 Y N -0.951 119.327 120.300 -0.037 0.000 2.636 49 Y HA 0.363 4.951 4.550 0.063 0.000 0.260 49 Y C 1.505 177.395 175.900 -0.018 0.000 1.177 49 Y CA -0.136 57.942 58.100 -0.036 0.000 1.209 49 Y CB 0.547 38.968 38.460 -0.066 0.000 1.166 49 Y HN 0.056 nan 8.280 nan 0.000 0.531 50 G N -0.085 108.763 108.800 0.080 0.000 2.179 50 G HA2 -0.193 3.804 3.960 0.061 0.000 0.220 50 G HA3 -0.193 3.804 3.960 0.061 0.000 0.220 50 G C 0.331 175.281 174.900 0.084 0.000 0.990 50 G CA -0.269 44.870 45.100 0.065 0.000 0.646 50 G HN 0.555 nan 8.290 nan 0.000 0.517 51 A N 0.222 123.108 122.820 0.111 0.000 2.488 51 A HA 0.636 4.992 4.320 0.061 0.000 0.249 51 A C 1.403 179.082 177.584 0.159 0.000 1.083 51 A CA 0.865 53.004 52.037 0.169 0.000 0.768 51 A CB 0.472 19.610 19.000 0.230 0.000 1.017 51 A HN 0.145 nan 8.150 nan 0.000 0.496 52 K N 1.970 122.437 120.400 0.112 0.000 2.202 52 K HA 0.113 4.470 4.320 0.061 0.000 0.201 52 K C 1.361 177.908 176.600 -0.088 0.000 1.051 52 K CA 0.983 57.285 56.287 0.025 0.000 0.977 52 K CB -0.279 32.225 32.500 0.007 0.000 0.792 52 K HN 1.628 nan 8.250 nan 0.000 0.469 53 G N 3.631 112.274 108.800 -0.261 0.000 2.249 53 G HA2 -0.259 3.738 3.960 0.061 0.000 0.273 53 G HA3 -0.259 3.738 3.960 0.061 0.000 0.273 53 G C 0.120 174.790 174.900 -0.383 0.000 1.036 53 G CA 0.925 45.566 45.100 -0.765 0.000 0.824 53 G HN 0.475 nan 8.290 nan 0.000 0.504 54 D N -1.583 118.698 120.400 -0.200 0.000 2.369 54 D HA 0.378 5.055 4.640 0.061 0.000 0.211 54 D C 1.856 178.103 176.300 -0.088 0.000 1.077 54 D CA 0.571 54.501 54.000 -0.117 0.000 0.842 54 D CB -0.391 40.370 40.800 -0.065 0.000 0.947 54 D HN 1.415 nan 8.370 nan 0.000 0.509 55 G N 0.565 109.309 108.800 -0.094 0.000 2.184 55 G HA2 -0.425 3.572 3.960 0.061 0.000 0.264 55 G HA3 -0.425 3.572 3.960 0.061 0.000 0.264 55 G C 1.060 175.950 174.900 -0.017 0.000 0.975 55 G CA 0.691 45.762 45.100 -0.049 0.000 0.642 55 G HN 0.536 nan 8.290 nan 0.000 0.536 56 N N -0.660 118.031 118.700 -0.014 0.000 2.612 56 N HA 0.110 4.887 4.740 0.061 0.000 0.224 56 N C 0.909 176.426 175.510 0.012 0.000 1.051 56 N CA 1.287 54.337 53.050 0.001 0.000 0.889 56 N CB 0.308 38.792 38.487 -0.004 0.000 1.449 56 N HN 0.191 nan 8.380 nan 0.000 0.442 57 T N 1.593 116.153 114.554 0.010 0.000 2.888 57 T HA -0.023 4.364 4.350 0.061 0.000 0.301 57 T C -0.580 174.146 174.700 0.044 0.000 1.001 57 T CA 0.062 62.176 62.100 0.024 0.000 1.147 57 T CB 0.386 69.267 68.868 0.022 0.000 0.931 57 T HN 0.106 nan 8.240 nan 0.000 0.541 58 D N 2.397 122.827 120.400 0.049 0.000 2.338 58 D HA 0.025 4.702 4.640 0.061 0.000 0.255 58 D C 0.094 176.444 176.300 0.082 0.000 1.237 58 D CA -0.247 53.793 54.000 0.065 0.000 0.883 58 D CB 0.679 41.510 40.800 0.051 0.000 1.087 58 D HN 0.374 nan 8.370 nan 0.000 0.485 59 D N 2.453 122.924 120.400 0.119 0.000 2.349 59 D HA -0.012 4.665 4.640 0.061 0.000 0.214 59 D C 1.534 177.912 176.300 0.130 0.000 1.063 59 D CA 0.214 54.305 54.000 0.151 0.000 0.847 59 D CB 0.581 41.542 40.800 0.268 0.000 0.933 59 D HN 0.416 nan 8.370 nan 0.000 0.513 60 T N 0.439 115.058 114.554 0.109 0.000 2.635 60 T HA -0.213 4.174 4.350 0.061 0.000 0.267 60 T C 2.073 176.810 174.700 0.063 0.000 1.040 60 T CA 1.713 63.868 62.100 0.091 0.000 1.156 60 T CB -0.162 68.751 68.868 0.074 0.000 0.863 60 T HN 0.217 nan 8.240 nan 0.000 0.430 61 A N 1.538 124.391 122.820 0.054 0.000 1.902 61 A HA 0.166 4.522 4.320 0.061 0.000 0.217 61 A C 2.701 180.310 177.584 0.041 0.000 1.181 61 A CA 1.941 54.003 52.037 0.042 0.000 0.623 61 A CB -1.240 17.784 19.000 0.041 0.000 0.818 61 A HN 0.533 nan 8.150 nan 0.000 0.443 62 A N 0.096 122.950 122.820 0.055 0.000 1.883 62 A HA -0.133 4.224 4.320 0.061 0.000 0.217 62 A C 2.121 179.705 177.584 0.000 0.000 1.186 62 A CA 1.657 53.731 52.037 0.062 0.000 0.624 62 A CB -0.712 18.339 19.000 0.085 0.000 0.822 62 A HN 0.510 nan 8.150 nan 0.000 0.444 63 I N -0.927 119.629 120.570 -0.023 0.000 2.163 63 I HA -0.307 3.900 4.170 0.061 0.000 0.243 63 I C 2.745 178.802 176.117 -0.099 0.000 1.085 63 I CA 1.864 63.100 61.300 -0.108 0.000 1.347 63 I CB -0.348 37.644 38.000 -0.012 0.000 1.044 63 I HN 0.363 nan 8.210 nan 0.000 0.408 64 Q N 1.034 120.814 119.800 -0.033 0.000 2.170 64 Q HA -0.163 4.213 4.340 0.061 0.000 0.203 64 Q C 2.143 178.098 176.000 -0.075 0.000 0.976 64 Q CA 2.026 57.813 55.803 -0.027 0.000 0.858 64 Q CB -0.280 28.465 28.738 0.013 0.000 0.907 64 Q HN 0.535 nan 8.270 nan 0.000 0.433 65 A N -0.065 122.701 122.820 -0.091 0.000 1.930 65 A HA -0.012 4.345 4.320 0.061 0.000 0.217 65 A C 2.257 179.554 177.584 -0.477 0.000 1.175 65 A CA 1.608 53.559 52.037 -0.142 0.000 0.627 65 A CB -1.048 17.963 19.000 0.018 0.000 0.815 65 A HN 0.478 nan 8.150 nan 0.000 0.443 66 A N -0.016 122.422 122.820 -0.637 0.000 1.933 66 A HA -0.092 4.265 4.320 0.061 0.000 0.218 66 A C 2.100 179.363 177.584 -0.535 0.000 1.175 66 A CA 1.567 53.026 52.037 -0.964 0.000 0.628 66 A CB -0.575 18.048 19.000 -0.628 0.000 0.814 66 A HN 0.517 nan 8.150 nan 0.000 0.444 67 I N -0.397 120.000 120.570 -0.288 0.000 2.233 67 I HA -0.190 4.017 4.170 0.061 0.000 0.243 67 I C 1.763 177.824 176.117 -0.093 0.000 1.093 67 I CA 1.201 62.424 61.300 -0.128 0.000 1.380 67 I CB -0.359 37.623 38.000 -0.030 0.000 1.067 67 I HN 0.237 nan 8.210 nan 0.000 0.413 68 N N 1.092 119.732 118.700 -0.099 0.000 2.446 68 N HA 0.102 4.879 4.740 0.061 0.000 0.179 68 N C 0.581 176.069 175.510 -0.038 0.000 1.054 68 N CA 0.301 53.337 53.050 -0.022 0.000 0.905 68 N CB -0.175 38.315 38.487 0.005 0.000 0.973 68 N HN 0.198 nan 8.380 nan 0.000 0.448 69 A N -0.219 122.518 122.820 -0.138 0.000 2.531 69 A HA 0.429 4.786 4.320 0.061 0.000 0.236 69 A C 1.476 179.004 177.584 -0.094 0.000 1.062 69 A CA 0.797 52.774 52.037 -0.099 0.000 0.760 69 A CB -0.327 18.588 19.000 -0.142 0.000 0.995 69 A HN 0.469 nan 8.150 nan 0.000 0.501 70 G N 0.563 109.352 108.800 -0.019 0.000 2.195 70 G HA2 0.303 4.300 3.960 0.061 0.000 0.224 70 G HA3 0.303 4.300 3.960 0.061 0.000 0.224 70 G C 1.447 176.490 174.900 0.238 0.000 0.990 70 G CA 0.602 45.723 45.100 0.035 0.000 0.639 70 G HN 3.026 nan 8.290 nan 0.000 0.514 71 G N -0.085 108.817 108.800 0.169 0.000 2.788 71 G HA2 0.073 4.070 3.960 0.061 0.000 0.249 71 G HA3 0.073 4.070 3.960 0.061 0.000 0.249 71 G C -0.077 174.937 174.900 0.191 0.000 1.008 71 G CA 0.801 45.993 45.100 0.154 0.000 1.220 71 G HN 0.881 nan 8.290 nan 0.000 0.506 72 R N 0.272 120.871 120.500 0.166 0.000 2.981 72 R HA 0.706 5.083 4.340 0.061 0.000 0.228 72 R C 0.393 176.775 176.300 0.138 0.000 1.421 72 R CA -0.423 55.784 56.100 0.178 0.000 1.073 72 R CB 0.991 31.415 30.300 0.207 0.000 1.568 72 R HN 0.664 nan 8.270 nan 0.000 0.514 73 c N 1.888 120.584 118.600 0.160 0.000 2.218 73 c HA 0.504 5.111 4.570 0.061 0.000 0.353 73 c C 0.793 175.051 174.090 0.281 0.000 1.070 73 c CA -0.155 56.269 56.329 0.159 0.000 1.497 73 c CB -1.656 40.919 42.510 0.108 0.000 1.951 73 c HN 0.806 nan 8.230 nan 0.000 0.493 74 G N 3.066 111.956 108.800 0.148 0.000 3.194 74 G HA2 0.309 4.306 3.960 0.061 0.000 0.160 74 G HA3 0.309 4.306 3.960 0.061 0.000 0.160 74 G C -0.682 174.009 174.900 -0.348 0.000 1.267 74 G CA -0.278 44.852 45.100 0.050 0.000 0.962 74 G HN 0.730 nan 8.290 nan 0.000 0.612 75 Q N -0.097 119.280 119.800 -0.706 0.000 2.330 75 Q HA 0.376 4.753 4.340 0.061 0.000 0.279 75 Q C 1.187 176.981 176.000 -0.344 0.000 1.024 75 Q CA 1.196 56.535 55.803 -0.774 0.000 0.900 75 Q CB 0.400 28.743 28.738 -0.659 0.000 1.221 75 Q HN 1.247 nan 8.270 nan 0.000 0.396 76 G N 2.100 110.737 108.800 -0.271 0.000 2.199 76 G HA2 -0.297 3.700 3.960 0.061 0.000 0.254 76 G HA3 -0.297 3.700 3.960 0.061 0.000 0.254 76 G C -0.134 174.710 174.900 -0.094 0.000 0.982 76 G CA -0.022 44.991 45.100 -0.145 0.000 0.632 76 G HN 0.788 nan 8.290 nan 0.000 0.529 77 c N 0.848 119.399 118.600 -0.081 0.000 2.351 77 c HA 0.747 5.354 4.570 0.061 0.000 0.326 77 c C 1.392 175.491 174.090 0.015 0.000 1.272 77 c CA -0.014 56.298 56.329 -0.029 0.000 1.650 77 c CB 0.993 43.499 42.510 -0.008 0.000 2.257 77 c HN 0.315 nan 8.230 nan 0.000 0.505 78 D N 1.943 122.320 120.400 -0.038 0.000 2.194 78 D HA 0.104 4.781 4.640 0.061 0.000 0.204 78 D C 0.780 176.932 176.300 -0.246 0.000 0.964 78 D CA 1.725 55.700 54.000 -0.041 0.000 0.846 78 D CB 0.214 40.981 40.800 -0.055 0.000 0.962 78 D HN 0.896 nan 8.370 nan 0.000 0.490 79 S N -2.929 112.477 115.700 -0.490 0.000 2.710 79 S HA 0.456 4.963 4.470 0.061 0.000 0.274 79 S C -0.851 173.384 174.600 -0.609 0.000 1.029 79 S CA -0.969 56.510 58.200 -1.201 0.000 0.864 79 S CB 1.931 64.692 63.200 -0.732 0.000 1.103 79 S HN -0.039 nan 8.310 nan 0.000 0.460 80 T N -0.014 114.230 114.554 -0.516 0.000 2.830 80 T HA 0.681 5.068 4.350 0.061 0.000 0.322 80 T C 0.130 174.791 174.700 -0.064 0.000 1.501 80 T CA 0.238 62.248 62.100 -0.151 0.000 1.036 80 T CB 1.536 70.337 68.868 -0.111 0.000 1.379 80 T HN 1.739 nan 8.240 nan 0.000 0.493 81 T N -1.362 113.057 114.554 -0.225 0.000 3.040 81 T HA 0.184 4.571 4.350 0.061 0.000 0.266 81 T C 1.295 175.624 174.700 -0.617 0.000 1.005 81 T CA 0.712 62.403 62.100 -0.683 0.000 0.906 81 T CB -0.173 68.232 68.868 -0.772 0.000 1.082 81 T HN 0.692 nan 8.240 nan 0.000 0.531 82 T N -0.863 113.513 114.554 -0.296 0.000 3.054 82 T HA 0.318 4.704 4.350 0.061 0.000 0.255 82 T C 0.554 175.064 174.700 -0.315 0.000 1.035 82 T CA -0.341 61.624 62.100 -0.225 0.000 0.941 82 T CB -0.122 68.690 68.868 -0.094 0.000 1.026 82 T HN 0.382 nan 8.240 nan 0.000 0.533 83 Q N 2.375 122.026 119.800 -0.248 0.000 2.928 83 Q HA 0.338 4.715 4.340 0.061 0.000 0.353 83 Q C -2.838 173.208 176.000 0.077 0.000 0.870 83 Q CA -1.900 53.790 55.803 -0.187 0.000 0.963 83 Q CB 1.893 30.610 28.738 -0.035 0.000 1.419 83 Q HN 0.383 nan 8.270 nan 0.000 0.396 84 P HA 0.386 nan 4.420 nan 0.000 0.276 84 P C -0.954 176.524 177.300 0.296 0.000 1.244 84 P CA -0.283 62.926 63.100 0.182 0.000 0.801 84 P CB 1.481 33.290 31.700 0.181 0.000 1.006 85 A N 2.428 125.376 122.820 0.212 0.000 2.465 85 A HA 0.515 4.872 4.320 0.061 0.000 0.292 85 A C -1.400 176.265 177.584 0.134 0.000 1.041 85 A CA -0.694 51.431 52.037 0.147 0.000 0.718 85 A CB 0.965 20.014 19.000 0.081 0.000 1.266 85 A HN 0.568 nan 8.150 nan 0.000 0.403 86 L N 3.769 125.055 121.223 0.105 0.000 2.277 86 L HA 0.603 4.980 4.340 0.061 0.000 0.284 86 L C -1.196 175.603 176.870 -0.120 0.000 1.028 86 L CA -0.674 54.218 54.840 0.087 0.000 0.835 86 L CB 1.090 43.276 42.059 0.212 0.000 1.215 86 L HN 0.472 nan 8.230 nan 0.000 0.425 87 V N 5.524 125.414 119.914 -0.039 0.000 2.348 87 V HA 0.197 4.354 4.120 0.061 0.000 0.270 87 V C -0.625 175.442 176.094 -0.044 0.000 1.037 87 V CA -0.438 61.779 62.300 -0.139 0.000 0.872 87 V CB 0.941 32.732 31.823 -0.055 0.000 1.002 87 V HN 0.524 nan 8.190 nan 0.000 0.464 88 Y N 5.598 125.638 120.300 -0.434 0.000 2.341 88 Y HA 0.630 5.216 4.550 0.059 0.000 0.337 88 Y C -0.769 174.996 175.900 -0.226 0.000 1.014 88 Y CA -1.271 56.684 58.100 -0.241 0.000 1.111 88 Y CB 1.405 39.614 38.460 -0.418 0.000 1.194 88 Y HN 0.548 nan 8.280 nan 0.000 0.462 89 F N 8.163 127.558 119.950 -0.924 0.000 2.366 89 F HA 0.443 5.007 4.527 0.062 0.000 0.366 89 F C -2.201 173.218 175.800 -0.634 0.000 1.096 89 F CA -2.321 55.307 58.000 -0.620 0.000 1.060 89 F CB 1.053 39.765 39.000 -0.481 0.000 1.282 89 F HN 0.454 nan 8.300 nan 0.000 0.450 90 P HA 0.135 nan 4.420 nan 0.000 0.273 90 P C -2.549 174.847 177.300 0.160 0.000 1.250 90 P CA -1.204 61.950 63.100 0.089 0.000 0.793 90 P CB 0.044 31.876 31.700 0.221 0.000 1.011 91 P HA 0.283 nan 4.420 nan 0.000 0.266 91 P C 0.112 177.450 177.300 0.064 0.000 1.193 91 P CA 0.999 64.142 63.100 0.072 0.000 0.770 91 P CB 0.099 31.819 31.700 0.033 0.000 0.836 92 G N 0.249 109.046 108.800 -0.005 0.000 2.352 92 G HA2 0.278 4.275 3.960 0.061 0.000 0.302 92 G HA3 0.278 4.275 3.960 0.061 0.000 0.302 92 G C -1.611 173.128 174.900 -0.269 0.000 1.370 92 G CA -0.635 44.330 45.100 -0.224 0.000 0.918 92 G HN 0.379 nan 8.290 nan 0.000 0.610 93 T N 1.148 115.480 114.554 -0.370 0.000 2.809 93 T HA 0.547 4.934 4.350 0.061 0.000 0.296 93 T C -1.195 173.335 174.700 -0.283 0.000 1.015 93 T CA -0.034 61.946 62.100 -0.200 0.000 0.954 93 T CB 0.561 69.367 68.868 -0.105 0.000 0.950 93 T HN 0.383 nan 8.240 nan 0.000 0.450 94 Y N 2.592 122.927 120.300 0.058 0.000 2.434 94 Y HA 0.356 4.944 4.550 0.063 0.000 0.341 94 Y C 0.775 176.709 175.900 0.057 0.000 0.965 94 Y CA -0.916 57.234 58.100 0.083 0.000 1.205 94 Y CB 0.770 39.330 38.460 0.167 0.000 1.121 94 Y HN 0.398 nan 8.280 nan 0.000 0.507 95 K N 4.138 124.622 120.400 0.141 0.000 2.339 95 K HA 0.448 4.805 4.320 0.061 0.000 0.286 95 K C -0.835 175.850 176.600 0.143 0.000 1.050 95 K CA -0.375 55.978 56.287 0.110 0.000 0.956 95 K CB 0.395 32.937 32.500 0.069 0.000 0.990 95 K HN 0.564 nan 8.250 nan 0.000 0.475 96 V N 1.119 121.125 119.914 0.153 0.000 2.735 96 V HA 0.446 4.602 4.120 0.061 0.000 0.310 96 V C 0.156 176.430 176.094 0.300 0.000 1.061 96 V CA -0.353 62.066 62.300 0.198 0.000 0.913 96 V CB 1.699 33.641 31.823 0.199 0.000 1.005 96 V HN 0.812 nan 8.190 nan 0.000 0.428 97 S N 1.090 116.914 115.700 0.207 0.000 2.666 97 S HA 0.431 4.938 4.470 0.061 0.000 0.239 97 S C 0.557 174.937 174.600 -0.367 0.000 1.031 97 S CA 0.343 58.593 58.200 0.085 0.000 1.015 97 S CB -0.137 63.072 63.200 0.015 0.000 0.981 97 S HN 1.779 nan 8.310 nan 0.000 0.547 98 S N 0.299 115.826 115.700 -0.289 0.000 2.638 98 S HA 0.749 5.256 4.470 0.061 0.000 0.274 98 S C -3.547 171.023 174.600 -0.050 0.000 1.157 98 S CA -1.511 56.388 58.200 -0.502 0.000 0.826 98 S CB 0.734 63.777 63.200 -0.261 0.000 1.139 98 S HN -0.006 nan 8.310 nan 0.000 0.474 99 P HA 0.290 nan 4.420 nan 0.000 0.268 99 P C -0.956 176.417 177.300 0.122 0.000 1.205 99 P CA -0.253 62.971 63.100 0.205 0.000 0.771 99 P CB 0.192 31.985 31.700 0.155 0.000 0.858 100 L N 3.095 124.394 121.223 0.126 0.000 2.325 100 L HA 0.203 4.580 4.340 0.061 0.000 0.284 100 L C 0.005 176.916 176.870 0.070 0.000 1.089 100 L CA -0.666 54.221 54.840 0.078 0.000 0.836 100 L CB 0.532 42.621 42.059 0.050 0.000 1.184 100 L HN 0.095 nan 8.230 nan 0.000 0.444 101 V N 5.060 125.004 119.914 0.051 0.000 2.389 101 V HA 0.071 4.228 4.120 0.061 0.000 0.264 101 V C 0.293 176.430 176.094 0.073 0.000 1.049 101 V CA -0.331 61.986 62.300 0.028 0.000 0.932 101 V CB 1.780 33.578 31.823 -0.042 0.000 1.011 101 V HN 0.475 nan 8.190 nan 0.000 0.475 102 V N 8.357 128.332 119.914 0.101 0.000 2.322 102 V HA 0.362 4.519 4.120 0.061 0.000 0.258 102 V C 0.280 176.476 176.094 0.171 0.000 1.074 102 V CA -0.126 62.255 62.300 0.134 0.000 0.909 102 V CB 0.331 32.250 31.823 0.160 0.000 1.090 102 V HN 0.715 nan 8.190 nan 0.000 0.486 103 L N 5.571 126.917 121.223 0.206 0.000 2.476 103 L HA 0.227 4.604 4.340 0.061 0.000 0.264 103 L C 0.253 177.251 176.870 0.214 0.000 1.224 103 L CA -0.336 54.701 54.840 0.329 0.000 0.821 103 L CB 0.127 42.375 42.059 0.316 0.000 1.101 103 L HN 0.554 nan 8.230 nan 0.000 0.488 104 Y N 1.758 122.053 120.300 -0.008 0.000 2.969 104 Y HA -0.243 4.349 4.550 0.071 0.000 0.339 104 Y C 1.036 176.935 175.900 -0.001 0.000 1.272 104 Y CA 1.309 59.279 58.100 -0.216 0.000 1.577 104 Y CB -0.009 38.222 38.460 -0.381 0.000 1.234 104 Y HN 0.559 nan 8.280 nan 0.000 0.590 105 Q N 1.962 121.767 119.800 0.007 0.000 2.481 105 Q HA -0.231 4.146 4.340 0.061 0.000 0.283 105 Q C -1.165 174.924 176.000 0.148 0.000 1.292 105 Q CA 0.919 56.800 55.803 0.130 0.000 0.819 105 Q CB -1.198 27.608 28.738 0.114 0.000 1.202 105 Q HN 0.758 nan 8.270 nan 0.000 0.446 106 T N 1.061 115.700 114.554 0.142 0.000 2.856 106 T HA 0.562 4.949 4.350 0.061 0.000 0.283 106 T C -0.614 174.204 174.700 0.195 0.000 1.008 106 T CA -0.612 61.584 62.100 0.161 0.000 0.997 106 T CB 1.734 70.688 68.868 0.143 0.000 0.992 106 T HN 0.212 nan 8.240 nan 0.000 0.454 107 Q N 1.968 121.890 119.800 0.204 0.000 2.340 107 Q HA 0.547 4.924 4.340 0.061 0.000 0.268 107 Q C -1.023 175.107 176.000 0.217 0.000 1.031 107 Q CA -0.719 55.220 55.803 0.228 0.000 0.804 107 Q CB 2.293 31.182 28.738 0.252 0.000 1.286 107 Q HN 0.502 nan 8.270 nan 0.000 0.448 108 L N 4.156 125.514 121.223 0.225 0.000 2.272 108 L HA 0.583 4.960 4.340 0.061 0.000 0.289 108 L C -0.512 176.577 176.870 0.365 0.000 1.032 108 L CA -0.452 54.570 54.840 0.304 0.000 0.810 108 L CB 0.630 42.756 42.059 0.112 0.000 1.205 108 L HN 0.492 nan 8.230 nan 0.000 0.422 109 I N 2.376 123.153 120.570 0.345 0.000 2.499 109 I HA 0.465 4.672 4.170 0.061 0.000 0.288 109 I C 0.412 176.386 176.117 -0.239 0.000 1.048 109 I CA -0.429 60.931 61.300 0.100 0.000 1.062 109 I CB 2.170 40.310 38.000 0.234 0.000 1.238 109 I HN 0.614 nan 8.210 nan 0.000 0.426 110 G N 3.248 111.561 108.800 -0.811 0.000 2.461 110 G HA2 0.178 4.175 3.960 0.061 0.000 0.329 110 G HA3 0.178 4.175 3.960 0.061 0.000 0.329 110 G C -0.649 173.869 174.900 -0.635 0.000 1.170 110 G CA -0.373 44.142 45.100 -0.975 0.000 0.935 110 G HN 0.635 nan 8.290 nan 0.000 0.492 111 D N 0.572 120.671 120.400 -0.501 0.000 2.520 111 D HA 0.090 4.767 4.640 0.061 0.000 0.243 111 D C 1.350 177.344 176.300 -0.509 0.000 1.160 111 D CA 0.417 54.265 54.000 -0.253 0.000 0.877 111 D CB 1.210 41.980 40.800 -0.050 0.000 1.150 111 D HN 0.303 nan 8.370 nan 0.000 0.494 112 A N 4.767 127.003 122.820 -0.972 0.000 2.169 112 A HA -0.067 4.290 4.320 0.061 0.000 0.212 112 A C 1.956 179.301 177.584 -0.399 0.000 1.153 112 A CA 0.659 52.209 52.037 -0.812 0.000 0.756 112 A CB 0.126 18.425 19.000 -1.168 0.000 0.813 112 A HN 0.601 nan 8.150 nan 0.000 0.471 113 K N -0.283 119.976 120.400 -0.235 0.000 2.166 113 K HA 0.079 4.436 4.320 0.061 0.000 0.201 113 K C -0.367 176.193 176.600 -0.066 0.000 1.052 113 K CA 0.595 56.849 56.287 -0.055 0.000 0.969 113 K CB 0.189 32.734 32.500 0.075 0.000 0.761 113 K HN 0.277 nan 8.250 nan 0.000 0.459 114 N N 1.396 120.044 118.700 -0.087 0.000 2.648 114 N HA 0.140 4.917 4.740 0.061 0.000 0.261 114 N C -1.415 174.019 175.510 -0.126 0.000 1.138 114 N CA -0.393 52.610 53.050 -0.078 0.000 0.804 114 N CB 1.382 39.851 38.487 -0.029 0.000 1.237 114 N HN -0.089 nan 8.380 nan 0.000 0.532 115 L N 3.416 124.537 121.223 -0.170 0.000 2.559 115 L HA 0.125 4.502 4.340 0.061 0.000 0.274 115 L C -1.561 175.205 176.870 -0.174 0.000 1.205 115 L CA -0.611 54.083 54.840 -0.243 0.000 0.907 115 L CB -0.400 41.512 42.059 -0.246 0.000 1.153 115 L HN 0.293 nan 8.230 nan 0.000 0.490 116 P HA 0.112 nan 4.420 nan 0.000 0.272 116 P C -0.708 176.617 177.300 0.042 0.000 1.223 116 P CA -0.402 62.702 63.100 0.006 0.000 0.784 116 P CB 0.550 32.322 31.700 0.119 0.000 0.923 117 T N 2.641 117.265 114.554 0.116 0.000 2.794 117 T HA 0.408 4.795 4.350 0.061 0.000 0.280 117 T C 0.137 174.925 174.700 0.147 0.000 0.987 117 T CA -0.444 61.698 62.100 0.070 0.000 0.993 117 T CB 0.251 69.122 68.868 0.005 0.000 0.939 117 T HN 0.184 nan 8.240 nan 0.000 0.449 118 L N 4.216 125.458 121.223 0.030 0.000 2.261 118 L HA 0.460 4.837 4.340 0.061 0.000 0.289 118 L C -0.439 176.401 176.870 -0.049 0.000 1.059 118 L CA -0.840 53.989 54.840 -0.018 0.000 0.816 118 L CB 0.646 42.574 42.059 -0.220 0.000 1.191 118 L HN 0.358 nan 8.230 nan 0.000 0.431 119 L N 4.296 125.524 121.223 0.008 0.000 2.276 119 L HA 0.564 4.941 4.340 0.061 0.000 0.286 119 L C 0.422 177.282 176.870 -0.017 0.000 1.024 119 L CA -0.157 54.672 54.840 -0.018 0.000 0.826 119 L CB 1.276 43.338 42.059 0.006 0.000 1.211 119 L HN 0.632 nan 8.230 nan 0.000 0.422 120 A N 5.042 127.808 122.820 -0.089 0.000 2.491 120 A HA 0.569 4.926 4.320 0.061 0.000 0.261 120 A C 0.732 178.338 177.584 0.036 0.000 1.101 120 A CA 0.207 52.190 52.037 -0.091 0.000 0.772 120 A CB -0.385 18.439 19.000 -0.293 0.000 1.043 120 A HN 1.106 nan 8.150 nan 0.000 0.501 121 A N 4.981 127.885 122.820 0.140 0.000 2.520 121 A HA 0.434 4.791 4.320 0.061 0.000 0.235 121 A C -0.992 176.664 177.584 0.121 0.000 1.065 121 A CA -0.662 51.449 52.037 0.122 0.000 0.764 121 A CB -0.269 18.811 19.000 0.133 0.000 1.002 121 A HN 0.642 nan 8.150 nan 0.000 0.502 122 P HA -0.147 nan 4.420 nan 0.000 0.218 122 P C 0.653 178.006 177.300 0.089 0.000 1.146 122 P CA 1.637 64.782 63.100 0.075 0.000 0.813 122 P CB -0.040 31.691 31.700 0.052 0.000 0.778 123 N N -0.996 117.756 118.700 0.086 0.000 2.279 123 N HA -0.031 4.746 4.740 0.061 0.000 0.226 123 N C -0.181 175.371 175.510 0.071 0.000 1.126 123 N CA -0.675 52.413 53.050 0.064 0.000 0.846 123 N CB -1.066 37.438 38.487 0.027 0.000 1.050 123 N HN 0.033 nan 8.380 nan 0.000 0.502 124 F N 1.914 121.862 119.950 -0.003 0.000 2.629 124 F HA 0.090 4.654 4.527 0.061 0.000 0.377 124 F C 0.466 176.260 175.800 -0.011 0.000 1.101 124 F CA 0.507 58.502 58.000 -0.008 0.000 1.301 124 F CB 0.583 39.572 39.000 -0.018 0.000 1.062 124 F HN 0.040 nan 8.300 nan 0.000 0.583 125 S N 4.015 119.276 115.700 -0.731 0.000 2.571 125 S HA 0.825 5.332 4.470 0.061 0.000 0.284 125 S C -0.441 173.795 174.600 -0.607 0.000 1.128 125 S CA 0.229 58.177 58.200 -0.420 0.000 0.970 125 S CB 0.989 64.043 63.200 -0.244 0.000 1.039 125 S HN 1.537 nan 8.310 nan 0.000 0.485 126 G N 3.084 111.772 108.800 -0.186 0.000 2.351 126 G HA2 0.048 4.044 3.960 0.061 0.000 0.353 126 G HA3 0.048 4.044 3.960 0.061 0.000 0.353 126 G C 0.274 175.258 174.900 0.139 0.000 1.358 126 G CA -0.355 44.710 45.100 -0.058 0.000 0.995 126 G HN 0.889 nan 8.290 nan 0.000 0.611 127 I N 0.414 121.036 120.570 0.085 0.000 2.264 127 I HA 0.300 4.507 4.170 0.061 0.000 0.248 127 I C 1.174 177.358 176.117 0.113 0.000 1.111 127 I CA 2.453 63.772 61.300 0.030 0.000 1.382 127 I CB -0.130 37.833 38.000 -0.063 0.000 1.060 127 I HN 1.533 nan 8.210 nan 0.000 0.418 128 A N -1.415 121.549 122.820 0.239 0.000 2.567 128 A HA 0.269 4.625 4.320 0.061 0.000 0.291 128 A C -0.033 177.679 177.584 0.212 0.000 1.048 128 A CA -0.592 51.553 52.037 0.180 0.000 0.661 128 A CB 0.234 19.369 19.000 0.224 0.000 1.288 128 A HN 0.115 nan 8.150 nan 0.000 0.424 129 L N 0.268 121.441 121.223 -0.082 0.000 2.083 129 L HA 0.153 4.529 4.340 0.061 0.000 0.209 129 L C 0.108 177.011 176.870 0.055 0.000 1.083 129 L CA 1.474 56.249 54.840 -0.108 0.000 0.752 129 L CB -0.142 41.720 42.059 -0.327 0.000 0.899 129 L HN 0.603 nan 8.230 nan 0.000 0.433 130 I N -0.390 120.208 120.570 0.046 0.000 2.406 130 I HA 0.223 4.430 4.170 0.061 0.000 0.290 130 I C -1.108 175.127 176.117 0.197 0.000 0.999 130 I CA -0.587 60.756 61.300 0.072 0.000 1.124 130 I CB 1.664 39.650 38.000 -0.023 0.000 1.289 130 I HN -0.120 nan 8.210 nan 0.000 0.441 131 D N 4.974 125.489 120.400 0.193 0.000 2.505 131 D HA 0.464 5.141 4.640 0.061 0.000 0.250 131 D C 0.253 176.649 176.300 0.161 0.000 1.164 131 D CA -0.402 53.745 54.000 0.247 0.000 0.870 131 D CB 2.108 43.029 40.800 0.203 0.000 1.160 131 D HN 0.601 nan 8.370 nan 0.000 0.549 132 A N 3.344 126.239 122.820 0.124 0.000 2.251 132 A HA 0.156 4.513 4.320 0.061 0.000 0.209 132 A C 0.497 178.077 177.584 -0.008 0.000 1.187 132 A CA 0.122 52.169 52.037 0.016 0.000 0.823 132 A CB 0.280 19.180 19.000 -0.166 0.000 0.846 132 A HN 0.384 nan 8.150 nan 0.000 0.486 133 D N -0.708 119.671 120.400 -0.036 0.000 2.634 133 D HA 0.261 4.938 4.640 0.061 0.000 0.236 133 D C -3.277 172.950 176.300 -0.121 0.000 1.323 133 D CA -1.412 52.549 54.000 -0.064 0.000 0.884 133 D CB 1.047 41.791 40.800 -0.093 0.000 1.496 133 D HN -0.084 nan 8.370 nan 0.000 0.525 134 P HA 0.073 nan 4.420 nan 0.000 0.266 134 P C -0.597 176.600 177.300 -0.172 0.000 1.195 134 P CA 0.218 63.169 63.100 -0.249 0.000 0.768 134 P CB 0.256 31.591 31.700 -0.609 0.000 0.838 135 Y N 1.682 121.999 120.300 0.027 0.000 2.299 135 Y HA 0.359 4.946 4.550 0.062 0.000 0.326 135 Y C 0.846 176.779 175.900 0.055 0.000 1.164 135 Y CA 0.102 58.233 58.100 0.052 0.000 1.234 135 Y CB 0.510 38.989 38.460 0.032 0.000 1.219 135 Y HN 0.166 nan 8.280 nan 0.000 0.497 136 L N 1.477 122.830 121.223 0.216 0.000 2.235 136 L HA 0.766 5.143 4.340 0.061 0.000 0.260 136 L C -0.087 176.852 176.870 0.116 0.000 1.025 136 L CA -1.712 53.215 54.840 0.145 0.000 0.836 136 L CB 0.907 43.033 42.059 0.112 0.000 1.395 136 L HN 0.647 nan 8.230 nan 0.000 0.443 137 A N 0.103 122.967 122.820 0.073 0.000 2.584 137 A HA 0.364 4.721 4.320 0.061 0.000 0.239 137 A C 1.155 178.770 177.584 0.053 0.000 1.043 137 A CA 0.780 52.847 52.037 0.051 0.000 0.756 137 A CB -0.852 18.167 19.000 0.032 0.000 0.963 137 A HN 1.207 nan 8.150 nan 0.000 0.511 138 G N 1.196 110.023 108.800 0.045 0.000 2.155 138 G HA2 0.142 4.139 3.960 0.061 0.000 0.257 138 G HA3 0.142 4.139 3.960 0.061 0.000 0.257 138 G C 1.656 176.596 174.900 0.067 0.000 0.983 138 G CA 0.995 46.121 45.100 0.042 0.000 0.676 138 G HN 2.888 nan 8.290 nan 0.000 0.528 139 G N -1.457 107.406 108.800 0.106 0.000 2.160 139 G HA2 0.171 4.168 3.960 0.061 0.000 0.251 139 G HA3 0.171 4.168 3.960 0.061 0.000 0.251 139 G C 0.844 175.868 174.900 0.206 0.000 1.008 139 G CA 1.127 46.341 45.100 0.190 0.000 0.724 139 G HN 2.304 nan 8.290 nan 0.000 0.514 140 A N -0.974 121.924 122.820 0.131 0.000 2.346 140 A HA 0.733 5.090 4.320 0.061 0.000 0.252 140 A C 0.501 178.125 177.584 0.067 0.000 1.089 140 A CA 0.428 52.512 52.037 0.079 0.000 0.797 140 A CB 0.481 19.504 19.000 0.039 0.000 1.047 140 A HN 0.616 nan 8.150 nan 0.000 0.494 141 Q N -1.374 118.418 119.800 -0.013 0.000 2.484 141 Q HA 0.349 4.726 4.340 0.061 0.000 0.285 141 Q C -0.362 175.611 176.000 -0.044 0.000 1.097 141 Q CA -0.890 54.862 55.803 -0.084 0.000 0.802 141 Q CB 1.016 29.603 28.738 -0.252 0.000 1.444 141 Q HN 0.702 nan 8.270 nan 0.000 0.429 142 Y N -0.081 119.999 120.300 -0.368 0.000 2.114 142 Y HA -0.186 4.401 4.550 0.061 0.000 0.282 142 Y C 0.344 175.872 175.900 -0.619 0.000 1.165 142 Y CA 1.413 59.128 58.100 -0.642 0.000 1.148 142 Y CB 0.092 37.868 38.460 -1.139 0.000 0.972 142 Y HN 0.432 nan 8.280 nan 0.000 0.504 143 Y N -2.848 117.513 120.300 0.101 0.000 2.512 143 Y HA 0.475 5.065 4.550 0.067 0.000 0.348 143 Y C -0.320 175.549 175.900 -0.051 0.000 0.990 143 Y CA -2.311 55.802 58.100 0.023 0.000 1.033 143 Y CB 0.733 39.237 38.460 0.073 0.000 1.259 143 Y HN -0.518 nan 8.280 nan 0.000 0.461 144 V N 4.362 124.330 119.914 0.090 0.000 2.529 144 V HA -0.070 4.087 4.120 0.061 0.000 0.292 144 V C 1.311 177.375 176.094 -0.049 0.000 1.028 144 V CA -0.070 62.229 62.300 -0.003 0.000 1.074 144 V CB 0.379 32.185 31.823 -0.028 0.000 0.958 144 V HN 1.020 nan 8.190 nan 0.000 0.481 145 N N 4.860 123.525 118.700 -0.058 0.000 2.149 145 N HA -0.270 4.507 4.740 0.061 0.000 0.188 145 N C 1.247 176.660 175.510 -0.162 0.000 1.019 145 N CA 1.588 54.577 53.050 -0.101 0.000 0.857 145 N CB 0.026 38.481 38.487 -0.053 0.000 0.997 145 N HN 0.758 nan 8.380 nan 0.000 0.426 146 Q N 0.104 119.834 119.800 -0.117 0.000 2.437 146 Q HA 0.104 4.480 4.340 0.061 0.000 0.210 146 Q C 0.412 176.291 176.000 -0.201 0.000 0.972 146 Q CA 0.766 56.513 55.803 -0.094 0.000 0.903 146 Q CB 0.079 28.814 28.738 -0.006 0.000 0.967 146 Q HN 0.459 nan 8.270 nan 0.000 0.486 147 N N -0.285 118.170 118.700 -0.408 0.000 2.234 147 N HA 0.034 4.811 4.740 0.061 0.000 0.227 147 N C -0.629 174.129 175.510 -1.254 0.000 1.151 147 N CA -0.001 52.483 53.050 -0.943 0.000 0.865 147 N CB 0.454 38.760 38.487 -0.301 0.000 1.066 147 N HN 0.043 nan 8.380 nan 0.000 0.515 148 N N 1.116 119.293 118.700 -0.872 0.000 3.034 148 N HA 0.146 4.923 4.740 0.061 0.000 0.265 148 N C -1.106 173.921 175.510 -0.805 0.000 1.166 148 N CA -0.089 52.561 53.050 -0.667 0.000 1.081 148 N CB -0.288 37.966 38.487 -0.389 0.000 1.378 148 N HN -0.105 nan 8.380 nan 0.000 0.520 149 F N 1.294 120.765 119.950 -0.798 0.000 2.461 149 F HA 0.499 5.063 4.527 0.062 0.000 0.332 149 F C 0.473 175.692 175.800 -0.969 0.000 1.073 149 F CA -1.236 56.156 58.000 -1.012 0.000 1.017 149 F CB 0.182 38.345 39.000 -1.394 0.000 1.301 149 F HN 0.032 nan 8.300 nan 0.000 0.492 150 F N -0.012 119.863 119.950 -0.124 0.000 2.563 150 F HA -0.107 4.453 4.527 0.055 0.000 0.351 150 F C -0.056 175.674 175.800 -0.117 0.000 1.086 150 F CA -0.273 57.688 58.000 -0.065 0.000 1.174 150 F CB -1.667 37.310 39.000 -0.038 0.000 1.590 150 F HN 0.417 nan 8.300 nan 0.000 0.808 151 R N 0.795 121.377 120.500 0.136 0.000 2.535 151 R HA 0.794 5.171 4.340 0.061 0.000 0.274 151 R C -1.067 175.485 176.300 0.419 0.000 1.090 151 R CA -0.727 55.477 56.100 0.174 0.000 0.930 151 R CB 2.355 32.608 30.300 -0.078 0.000 1.223 151 R HN 0.250 nan 8.270 nan 0.000 0.441 152 S N 1.804 117.762 115.700 0.430 0.000 2.546 152 S HA 0.809 5.315 4.470 0.061 0.000 0.274 152 S C -1.657 173.094 174.600 0.252 0.000 1.121 152 S CA -0.522 57.916 58.200 0.396 0.000 0.887 152 S CB 1.531 64.922 63.200 0.318 0.000 1.094 152 S HN 0.228 nan 8.310 nan 0.000 0.474 153 V N 4.373 124.328 119.914 0.069 0.000 2.577 153 V HA 0.658 4.814 4.120 0.061 0.000 0.303 153 V C -0.802 175.301 176.094 0.015 0.000 1.042 153 V CA -0.718 61.574 62.300 -0.015 0.000 0.872 153 V CB 1.804 33.462 31.823 -0.274 0.000 0.998 153 V HN 0.886 nan 8.190 nan 0.000 0.423 154 R N 3.919 124.494 120.500 0.125 0.000 2.564 154 R HA 0.558 4.935 4.340 0.061 0.000 0.284 154 R C -0.950 175.211 176.300 -0.232 0.000 1.031 154 R CA -0.947 55.132 56.100 -0.035 0.000 0.904 154 R CB 1.664 31.920 30.300 -0.073 0.000 1.199 154 R HN 0.752 nan 8.270 nan 0.000 0.443 155 N N 1.726 120.242 118.700 -0.306 0.000 2.688 155 N HA -0.169 4.608 4.740 0.061 0.000 0.261 155 N C -1.449 173.554 175.510 -0.845 0.000 1.116 155 N CA 1.027 53.767 53.050 -0.517 0.000 0.689 155 N CB -1.055 37.077 38.487 -0.591 0.000 0.882 155 N HN 0.416 nan 8.380 nan 0.000 0.554 156 F N -1.100 118.626 119.950 -0.373 0.000 2.613 156 F HA 0.547 5.108 4.527 0.057 0.000 0.310 156 F C 0.367 175.929 175.800 -0.396 0.000 1.085 156 F CA -0.949 56.812 58.000 -0.399 0.000 0.945 156 F CB 1.514 40.221 39.000 -0.488 0.000 1.298 156 F HN -0.171 nan 8.300 nan 0.000 0.455 157 V N 3.767 123.602 119.914 -0.131 0.000 2.407 157 V HA 0.383 4.540 4.120 0.061 0.000 0.278 157 V C -0.090 175.874 176.094 -0.217 0.000 1.037 157 V CA -0.531 61.650 62.300 -0.199 0.000 0.900 157 V CB 1.296 33.036 31.823 -0.138 0.000 0.983 157 V HN 0.479 nan 8.190 nan 0.000 0.459 158 I N 4.172 124.525 120.570 -0.362 0.000 2.328 158 I HA 0.356 4.563 4.170 0.061 0.000 0.287 158 I C -0.614 175.377 176.117 -0.210 0.000 1.012 158 I CA -0.234 60.864 61.300 -0.336 0.000 1.195 158 I CB 1.450 39.150 38.000 -0.501 0.000 1.350 158 I HN 0.521 nan 8.210 nan 0.000 0.464 159 D N 7.310 127.618 120.400 -0.153 0.000 2.414 159 D HA 0.326 5.002 4.640 0.061 0.000 0.232 159 D C 0.360 176.582 176.300 -0.130 0.000 1.070 159 D CA -0.283 53.655 54.000 -0.104 0.000 0.839 159 D CB 1.415 42.173 40.800 -0.071 0.000 1.079 159 D HN 0.428 nan 8.370 nan 0.000 0.521 160 L N 3.280 124.413 121.223 -0.150 0.000 2.607 160 L HA 0.251 4.627 4.340 0.061 0.000 0.228 160 L C 2.043 178.804 176.870 -0.181 0.000 1.123 160 L CA -0.130 54.534 54.840 -0.293 0.000 0.890 160 L CB 0.164 41.899 42.059 -0.540 0.000 1.103 160 L HN 0.182 nan 8.230 nan 0.000 0.468 161 R N 0.348 120.847 120.500 -0.002 0.000 2.293 161 R HA -0.093 4.284 4.340 0.061 0.000 0.219 161 R C 1.625 177.994 176.300 0.115 0.000 1.091 161 R CA 0.729 56.908 56.100 0.132 0.000 1.004 161 R CB 0.003 30.351 30.300 0.080 0.000 0.865 161 R HN 0.474 nan 8.270 nan 0.000 0.469 162 Q N 0.028 119.860 119.800 0.053 0.000 2.425 162 Q HA 0.073 4.450 4.340 0.061 0.000 0.204 162 Q C 0.105 176.150 176.000 0.075 0.000 0.933 162 Q CA 0.405 56.240 55.803 0.054 0.000 0.939 162 Q CB 0.651 29.408 28.738 0.032 0.000 1.044 162 Q HN 0.099 nan 8.270 nan 0.000 0.513 163 V N 2.737 122.709 119.914 0.096 0.000 2.385 163 V HA 0.017 4.173 4.120 0.061 0.000 0.269 163 V C 1.453 177.681 176.094 0.222 0.000 1.043 163 V CA 0.229 62.605 62.300 0.127 0.000 0.906 163 V CB 1.283 33.136 31.823 0.050 0.000 0.995 163 V HN 0.278 nan 8.190 nan 0.000 0.467 164 S N 3.570 119.346 115.700 0.128 0.000 2.428 164 S HA 0.050 4.557 4.470 0.061 0.000 0.230 164 S C 1.129 175.773 174.600 0.072 0.000 1.014 164 S CA 0.516 58.766 58.200 0.083 0.000 0.957 164 S CB -0.011 63.215 63.200 0.044 0.000 0.784 164 S HN 0.834 nan 8.310 nan 0.000 0.499 165 G N 1.593 110.451 108.800 0.097 0.000 2.695 165 G HA2 0.486 4.483 3.960 0.061 0.000 0.213 165 G HA3 0.486 4.483 3.960 0.061 0.000 0.213 165 G C -0.188 174.791 174.900 0.130 0.000 1.406 165 G CA -0.169 44.976 45.100 0.076 0.000 1.049 165 G HN 0.600 nan 8.290 nan 0.000 0.573 166 S N -1.197 114.556 115.700 0.089 0.000 2.572 166 S HA 0.580 5.087 4.470 0.061 0.000 0.279 166 S C -0.082 174.577 174.600 0.098 0.000 1.341 166 S CA 0.333 58.592 58.200 0.098 0.000 1.043 166 S CB 1.162 64.376 63.200 0.023 0.000 0.887 166 S HN 1.838 nan 8.310 nan 0.000 0.516 167 A N 1.986 124.844 122.820 0.063 0.000 2.566 167 A HA 0.698 5.055 4.320 0.061 0.000 0.297 167 A C -0.482 177.036 177.584 -0.109 0.000 1.059 167 A CA -0.829 51.157 52.037 -0.085 0.000 0.691 167 A CB 1.498 20.323 19.000 -0.292 0.000 1.282 167 A HN 0.831 nan 8.150 nan 0.000 0.401 168 T N 0.877 115.362 114.554 -0.114 0.000 2.886 168 T HA 0.549 4.936 4.350 0.061 0.000 0.292 168 T C 1.242 175.910 174.700 -0.052 0.000 1.012 168 T CA 0.178 62.254 62.100 -0.039 0.000 0.982 168 T CB 1.841 70.726 68.868 0.028 0.000 1.018 168 T HN 1.175 nan 8.240 nan 0.000 0.451 169 G N 1.805 110.634 108.800 0.048 0.000 2.404 169 G HA2 0.214 4.211 3.960 0.061 0.000 0.214 169 G HA3 0.214 4.211 3.960 0.061 0.000 0.214 169 G C 0.250 175.216 174.900 0.111 0.000 1.189 169 G CA 0.496 45.654 45.100 0.096 0.000 0.789 169 G HN 0.671 nan 8.290 nan 0.000 0.533 170 I N -0.564 120.136 120.570 0.218 0.000 2.534 170 I HA 0.195 4.402 4.170 0.061 0.000 0.288 170 I C -1.091 175.259 176.117 0.388 0.000 1.077 170 I CA -0.735 60.715 61.300 0.250 0.000 1.051 170 I CB 2.562 40.673 38.000 0.185 0.000 1.234 170 I HN 0.154 nan 8.210 nan 0.000 0.425 171 H N 6.682 125.942 119.070 0.316 0.000 3.008 171 H HA 0.086 4.682 4.556 0.067 0.000 0.268 171 H C -0.928 174.643 175.328 0.405 0.000 1.323 171 H CA -0.345 55.926 56.048 0.371 0.000 1.401 171 H CB 0.639 30.602 29.762 0.335 0.000 1.556 171 H HN 0.698 nan 8.280 nan 0.000 0.502 172 W N 7.085 128.391 121.300 0.009 0.000 1.919 172 W HA 0.101 4.779 4.660 0.031 0.000 0.347 172 W C -0.338 176.113 176.519 -0.113 0.000 0.698 172 W CA -0.699 56.622 57.345 -0.040 0.000 2.240 172 W CB 0.415 29.911 29.460 0.060 0.000 2.021 172 W HN 0.652 nan 8.180 nan 0.000 0.527 173 Q N 3.373 122.929 119.800 -0.406 0.000 2.553 173 Q HA 0.231 4.608 4.340 0.061 0.000 0.221 173 Q C -0.549 175.205 176.000 -0.409 0.000 1.219 173 Q CA 0.141 55.727 55.803 -0.362 0.000 0.955 173 Q CB 0.119 28.608 28.738 -0.416 0.000 1.399 173 Q HN 0.249 nan 8.270 nan 0.000 0.551 174 V N -0.872 118.793 119.914 -0.414 0.000 3.160 174 V HA 0.758 4.915 4.120 0.061 0.000 0.310 174 V C -0.571 175.316 176.094 -0.344 0.000 1.181 174 V CA -0.724 61.265 62.300 -0.519 0.000 1.047 174 V CB 2.098 33.349 31.823 -0.953 0.000 1.068 174 V HN 0.466 nan 8.190 nan 0.000 0.441 175 S N -0.065 115.397 115.700 -0.397 0.000 3.362 175 S HA 0.538 5.045 4.470 0.061 0.000 0.235 175 S C -0.376 173.928 174.600 -0.493 0.000 1.026 175 S CA -0.577 57.405 58.200 -0.363 0.000 1.257 175 S CB 0.623 63.686 63.200 -0.229 0.000 1.187 175 S HN 0.912 nan 8.310 nan 0.000 0.660 176 Q N 0.430 119.845 119.800 -0.642 0.000 2.396 176 Q HA 0.620 4.996 4.340 0.061 0.000 0.221 176 Q C 0.085 175.529 176.000 -0.927 0.000 1.025 176 Q CA 0.585 55.710 55.803 -1.129 0.000 0.946 176 Q CB 0.126 27.445 28.738 -2.365 0.000 1.224 176 Q HN 0.901 nan 8.270 nan 0.000 0.539 177 A N -0.261 122.119 122.820 -0.733 0.000 2.745 177 A HA -0.167 4.190 4.320 0.061 0.000 0.296 177 A C 0.066 177.626 177.584 -0.039 0.000 1.500 177 A CA 1.101 52.889 52.037 -0.414 0.000 0.766 177 A CB -2.572 16.218 19.000 -0.349 0.000 1.030 177 A HN 0.719 nan 8.150 nan 0.000 0.489 178 T N -2.210 112.348 114.554 0.006 0.000 2.906 178 T HA 0.902 5.289 4.350 0.061 0.000 0.295 178 T C -0.431 174.521 174.700 0.419 0.000 1.075 178 T CA 0.184 62.403 62.100 0.198 0.000 1.005 178 T CB 2.117 70.988 68.868 0.005 0.000 1.136 178 T HN 2.040 nan 8.240 nan 0.000 0.498 179 S N 0.893 116.940 115.700 0.580 0.000 2.537 179 S HA 0.674 5.180 4.470 0.061 0.000 0.271 179 S C -1.446 173.362 174.600 0.346 0.000 1.148 179 S CA -1.110 57.406 58.200 0.526 0.000 0.868 179 S CB 0.990 64.503 63.200 0.521 0.000 1.115 179 S HN 0.837 nan 8.310 nan 0.000 0.461 180 L N 2.286 123.585 121.223 0.128 0.000 2.322 180 L HA 0.694 5.071 4.340 0.061 0.000 0.281 180 L C -0.980 175.894 176.870 0.007 0.000 1.014 180 L CA -0.819 53.950 54.840 -0.120 0.000 0.815 180 L CB 1.482 43.334 42.059 -0.344 0.000 1.247 180 L HN 0.674 nan 8.230 nan 0.000 0.421 181 I N 2.928 123.489 120.570 -0.015 0.000 2.534 181 I HA 0.284 4.491 4.170 0.061 0.000 0.288 181 I C -0.365 175.707 176.117 -0.075 0.000 1.077 181 I CA -0.702 60.604 61.300 0.010 0.000 1.051 181 I CB 1.908 39.921 38.000 0.022 0.000 1.234 181 I HN 0.679 nan 8.210 nan 0.000 0.425 182 N N 5.045 123.696 118.700 -0.081 0.000 2.726 182 N HA -0.158 4.619 4.740 0.061 0.000 0.253 182 N C -1.626 173.764 175.510 -0.199 0.000 1.059 182 N CA 0.716 53.685 53.050 -0.135 0.000 0.701 182 N CB -0.702 37.694 38.487 -0.151 0.000 0.899 182 N HN 0.574 nan 8.380 nan 0.000 0.548 183 I N 0.128 120.555 120.570 -0.238 0.000 2.509 183 I HA 0.418 4.625 4.170 0.061 0.000 0.293 183 I C 0.062 175.906 176.117 -0.454 0.000 1.020 183 I CA -1.205 59.861 61.300 -0.389 0.000 1.088 183 I CB 2.043 39.713 38.000 -0.550 0.000 1.267 183 I HN -0.150 nan 8.210 nan 0.000 0.430 184 V N 6.145 125.780 119.914 -0.465 0.000 2.370 184 V HA 0.384 4.541 4.120 0.061 0.000 0.283 184 V C -0.524 175.278 176.094 -0.486 0.000 1.023 184 V CA -0.486 61.593 62.300 -0.368 0.000 0.857 184 V CB 1.129 32.819 31.823 -0.222 0.000 0.985 184 V HN 0.371 nan 8.190 nan 0.000 0.443 185 F N 3.502 123.242 119.950 -0.350 0.000 2.410 185 F HA 0.510 5.071 4.527 0.056 0.000 0.349 185 F C 0.649 176.384 175.800 -0.109 0.000 1.117 185 F CA -0.459 57.403 58.000 -0.230 0.000 1.104 185 F CB 1.269 40.132 39.000 -0.228 0.000 1.122 185 F HN 0.354 nan 8.300 nan 0.000 0.483 186 Q N 5.644 125.477 119.800 0.056 0.000 2.348 186 Q HA 0.559 4.936 4.340 0.061 0.000 0.265 186 Q C -0.643 175.408 176.000 0.085 0.000 0.998 186 Q CA -0.222 55.612 55.803 0.051 0.000 0.831 186 Q CB 2.655 31.391 28.738 -0.003 0.000 1.251 186 Q HN 0.762 nan 8.270 nan 0.000 0.456 187 M N 0.252 119.933 119.600 0.136 0.000 2.658 187 M HA 0.360 4.877 4.480 0.061 0.000 0.295 187 M C 0.099 176.527 176.300 0.213 0.000 1.248 187 M CA -0.931 54.507 55.300 0.231 0.000 0.843 187 M CB 2.337 35.083 32.600 0.243 0.000 1.749 187 M HN 0.431 nan 8.290 nan 0.000 0.464 188 S N 0.252 116.128 115.700 0.293 0.000 2.572 188 S HA 0.152 4.659 4.470 0.061 0.000 0.279 188 S C 0.829 175.412 174.600 -0.030 0.000 1.341 188 S CA 0.089 58.298 58.200 0.015 0.000 1.043 188 S CB 0.399 63.434 63.200 -0.276 0.000 0.887 188 S HN 0.792 nan 8.310 nan 0.000 0.516 189 T N 1.608 116.144 114.554 -0.029 0.000 3.085 189 T HA 0.512 4.899 4.350 0.061 0.000 0.264 189 T C 0.455 175.125 174.700 -0.051 0.000 1.019 189 T CA 0.065 62.147 62.100 -0.031 0.000 0.910 189 T CB -0.058 68.806 68.868 -0.008 0.000 1.059 189 T HN 0.764 nan 8.240 nan 0.000 0.542 190 A N 1.579 124.354 122.820 -0.075 0.000 2.511 190 A HA 0.668 5.025 4.320 0.061 0.000 0.242 190 A C 0.976 178.514 177.584 -0.076 0.000 1.069 190 A CA -0.231 51.763 52.037 -0.072 0.000 0.763 190 A CB -0.495 18.455 19.000 -0.083 0.000 1.001 190 A HN 0.874 nan 8.150 nan 0.000 0.498 191 A N 1.771 124.557 122.820 -0.056 0.000 2.566 191 A HA 0.449 4.806 4.320 0.061 0.000 0.245 191 A C 1.682 179.229 177.584 -0.061 0.000 1.056 191 A CA 0.933 52.938 52.037 -0.052 0.000 0.757 191 A CB -0.912 18.065 19.000 -0.039 0.000 0.979 191 A HN 2.789 nan 8.150 nan 0.000 0.508 192 G N 2.148 110.910 108.800 -0.063 0.000 2.179 192 G HA2 -0.304 3.692 3.960 0.061 0.000 0.260 192 G HA3 -0.304 3.692 3.960 0.061 0.000 0.260 192 G C 0.140 174.990 174.900 -0.084 0.000 0.977 192 G CA 0.590 45.652 45.100 -0.063 0.000 0.641 192 G HN 1.841 nan 8.290 nan 0.000 0.533 193 N N -0.264 118.364 118.700 -0.121 0.000 2.416 193 N HA 0.377 5.154 4.740 0.061 0.000 0.246 193 N C 0.469 175.897 175.510 -0.137 0.000 1.260 193 N CA 0.597 53.529 53.050 -0.196 0.000 0.897 193 N CB 0.255 38.538 38.487 -0.340 0.000 1.110 193 N HN 0.448 nan 8.380 nan 0.000 0.439 194 Q N -0.656 119.080 119.800 -0.107 0.000 2.182 194 Q HA 0.188 4.565 4.340 0.061 0.000 0.305 194 Q C -0.833 175.241 176.000 0.123 0.000 0.880 194 Q CA -0.300 55.501 55.803 -0.004 0.000 1.131 194 Q CB 0.059 28.799 28.738 0.004 0.000 1.237 194 Q HN 0.653 nan 8.270 nan 0.000 0.447 195 H N 1.131 120.182 119.070 -0.031 0.000 2.511 195 H HA 0.350 4.943 4.556 0.062 0.000 0.346 195 H C -0.384 174.924 175.328 -0.032 0.000 1.128 195 H CA -0.375 55.658 56.048 -0.024 0.000 1.342 195 H CB 1.168 30.925 29.762 -0.008 0.000 1.470 195 H HN 0.121 nan 8.280 nan 0.000 0.546 196 Q N 1.772 121.620 119.800 0.080 0.000 2.268 196 Q HA 0.226 4.603 4.340 0.061 0.000 0.266 196 Q C 0.003 176.005 176.000 0.003 0.000 1.006 196 Q CA -0.579 55.229 55.803 0.008 0.000 0.824 196 Q CB 1.724 30.459 28.738 -0.004 0.000 1.306 196 Q HN 0.892 nan 8.270 nan 0.000 0.424 197 G N 4.289 113.056 108.800 -0.056 0.000 2.434 197 G HA2 0.038 4.035 3.960 0.061 0.000 0.214 197 G HA3 0.038 4.035 3.960 0.061 0.000 0.214 197 G C 0.436 175.251 174.900 -0.141 0.000 1.202 197 G CA 0.531 45.533 45.100 -0.164 0.000 0.788 197 G HN 0.546 nan 8.290 nan 0.000 0.539 198 I N -0.772 119.719 120.570 -0.131 0.000 2.608 198 I HA 0.439 4.646 4.170 0.061 0.000 0.295 198 I C -1.674 174.508 176.117 0.107 0.000 1.049 198 I CA -0.936 60.380 61.300 0.026 0.000 1.063 198 I CB 2.827 40.835 38.000 0.012 0.000 1.248 198 I HN 0.045 nan 8.210 nan 0.000 0.424 199 F N 7.846 127.861 119.950 0.107 0.000 2.445 199 F HA 0.587 5.154 4.527 0.068 0.000 0.348 199 F C -0.774 175.198 175.800 0.287 0.000 1.125 199 F CA -0.691 57.395 58.000 0.143 0.000 0.983 199 F CB 1.317 40.407 39.000 0.150 0.000 1.198 199 F HN 0.334 nan 8.300 nan 0.000 0.436 200 M N 7.450 126.854 119.600 -0.327 0.000 2.142 200 M HA 0.295 4.812 4.480 0.061 0.000 0.299 200 M C -0.089 175.969 176.300 -0.403 0.000 0.960 200 M CA -0.237 54.932 55.300 -0.218 0.000 0.920 200 M CB 1.361 34.038 32.600 0.128 0.000 1.541 200 M HN 0.760 nan 8.290 nan 0.000 0.429 201 E N 2.720 122.710 120.200 -0.350 0.000 2.340 201 E HA 0.117 4.504 4.350 0.061 0.000 0.198 201 E C -0.652 176.106 176.600 0.264 0.000 0.961 201 E CA 0.516 56.843 56.400 -0.123 0.000 0.905 201 E CB 0.314 30.004 29.700 -0.017 0.000 0.884 201 E HN 0.841 nan 8.360 nan 0.000 0.491 202 N N -0.735 118.088 118.700 0.206 0.000 3.339 202 N HA 0.525 5.301 4.740 0.061 0.000 0.275 202 N C -0.150 175.431 175.510 0.118 0.000 1.514 202 N CA -0.159 53.100 53.050 0.348 0.000 0.879 202 N CB 1.054 39.774 38.487 0.389 0.000 1.557 202 N HN 0.178 nan 8.380 nan 0.000 0.524 203 G N -1.466 107.392 108.800 0.097 0.000 2.347 203 G HA2 0.402 4.399 3.960 0.061 0.000 0.341 203 G HA3 0.402 4.399 3.960 0.061 0.000 0.341 203 G C -1.630 173.209 174.900 -0.102 0.000 1.287 203 G CA -0.163 44.913 45.100 -0.039 0.000 0.984 203 G HN 1.382 nan 8.290 nan 0.000 0.526 204 S N -0.013 115.594 115.700 -0.155 0.000 2.216 204 S HA 0.633 5.140 4.470 0.061 0.000 0.156 204 S C 0.720 175.116 174.600 -0.340 0.000 1.665 204 S CA 0.830 58.923 58.200 -0.179 0.000 1.262 204 S CB -0.337 62.832 63.200 -0.052 0.000 1.207 204 S HN 1.902 nan 8.310 nan 0.000 0.427 205 G N 1.178 109.659 108.800 -0.530 0.000 2.588 205 G HA2 0.719 4.715 3.960 0.061 0.000 0.278 205 G HA3 0.719 4.715 3.960 0.061 0.000 0.278 205 G C 0.399 174.722 174.900 -0.961 0.000 1.307 205 G CA -0.092 44.327 45.100 -1.134 0.000 1.016 205 G HN 1.435 nan 8.290 nan 0.000 0.503 206 G N -2.303 105.875 108.800 -1.036 0.000 2.326 206 G HA2 0.456 4.453 3.960 0.061 0.000 0.478 206 G HA3 0.456 4.453 3.960 0.061 0.000 0.478 206 G C -1.505 172.811 174.900 -0.973 0.000 1.551 206 G CA -0.502 43.729 45.100 -1.448 0.000 0.946 206 G HN 1.266 nan 8.290 nan 0.000 0.671 207 F N 1.949 121.664 119.950 -0.392 0.000 2.556 207 F HA 0.868 5.362 4.527 -0.055 0.000 0.314 207 F C -0.726 175.299 175.800 0.374 0.000 1.106 207 F CA -1.092 56.941 58.000 0.055 0.000 0.911 207 F CB 1.869 40.915 39.000 0.076 0.000 1.190 207 F HN 0.852 nan 8.300 nan 0.000 0.448 208 L N 3.210 123.956 121.223 -0.795 0.000 2.424 208 L HA 1.138 5.515 4.340 0.061 0.000 0.258 208 L C -0.763 175.569 176.870 -0.897 0.000 0.995 208 L CA -0.672 53.798 54.840 -0.615 0.000 0.821 208 L CB 1.683 43.691 42.059 -0.084 0.000 1.383 208 L HN 0.876 nan 8.230 nan 0.000 0.410 209 G N -1.059 107.537 108.800 -0.339 0.000 2.559 209 G HA2 0.512 4.508 3.960 0.061 0.000 0.291 209 G HA3 0.512 4.508 3.960 0.061 0.000 0.291 209 G C -1.660 173.287 174.900 0.078 0.000 1.424 209 G CA -0.209 44.858 45.100 -0.055 0.000 0.786 209 G HN 0.895 nan 8.290 nan 0.000 0.485 210 D N -0.559 119.903 120.400 0.104 0.000 2.718 210 D HA -0.146 4.531 4.640 0.061 0.000 0.242 210 D C 0.001 176.291 176.300 -0.017 0.000 1.123 210 D CA 1.120 55.154 54.000 0.058 0.000 0.690 210 D CB -1.213 39.630 40.800 0.071 0.000 1.059 210 D HN 0.439 nan 8.370 nan 0.000 0.429 211 L N -0.948 120.258 121.223 -0.030 0.000 2.341 211 L HA 0.751 5.128 4.340 0.061 0.000 0.267 211 L C 0.313 177.063 176.870 -0.201 0.000 1.009 211 L CA -1.204 53.551 54.840 -0.142 0.000 0.819 211 L CB 2.353 44.325 42.059 -0.145 0.000 1.323 211 L HN -0.225 nan 8.230 nan 0.000 0.425 212 V N 1.527 121.256 119.914 -0.307 0.000 2.577 212 V HA 0.464 4.621 4.120 0.061 0.000 0.303 212 V C -1.007 174.910 176.094 -0.296 0.000 1.042 212 V CA -0.400 61.768 62.300 -0.220 0.000 0.872 212 V CB 1.821 33.571 31.823 -0.121 0.000 0.998 212 V HN 0.403 nan 8.190 nan 0.000 0.423 213 F N 2.698 122.558 119.950 -0.150 0.000 2.449 213 F HA 0.521 5.081 4.527 0.055 0.000 0.342 213 F C 0.428 176.234 175.800 0.010 0.000 1.127 213 F CA -0.456 57.513 58.000 -0.051 0.000 0.975 213 F CB 1.463 40.346 39.000 -0.195 0.000 1.146 213 F HN 0.434 nan 8.300 nan 0.000 0.444 214 N N 2.449 121.268 118.700 0.199 0.000 2.479 214 N HA 0.621 5.398 4.740 0.061 0.000 0.261 214 N C 0.165 175.755 175.510 0.134 0.000 0.979 214 N CA -0.336 52.793 53.050 0.131 0.000 0.930 214 N CB 1.671 40.202 38.487 0.072 0.000 1.172 214 N HN 0.923 nan 8.380 nan 0.000 0.499 215 G N 1.585 110.455 108.800 0.116 0.000 2.632 215 G HA2 0.262 4.259 3.960 0.061 0.000 0.224 215 G HA3 0.262 4.259 3.960 0.061 0.000 0.224 215 G C 0.089 175.046 174.900 0.095 0.000 1.341 215 G CA -0.388 44.765 45.100 0.088 0.000 0.880 215 G HN 1.240 nan 8.290 nan 0.000 0.566 216 G N -1.538 107.306 108.800 0.072 0.000 2.716 216 G HA2 0.177 4.174 3.960 0.061 0.000 0.686 216 G HA3 0.177 4.174 3.960 0.061 0.000 0.686 216 G C 0.454 175.353 174.900 -0.002 0.000 1.337 216 G CA 0.767 45.907 45.100 0.068 0.000 0.829 216 G HN 2.160 nan 8.290 nan 0.000 0.599 217 N N -0.430 118.259 118.700 -0.019 0.000 2.120 217 N HA 0.006 4.783 4.740 0.061 0.000 0.188 217 N C 0.928 176.383 175.510 -0.091 0.000 1.024 217 N CA 1.919 54.935 53.050 -0.057 0.000 0.852 217 N CB -0.047 38.408 38.487 -0.054 0.000 1.003 217 N HN 0.673 nan 8.380 nan 0.000 0.424 218 I N -0.943 119.570 120.570 -0.096 0.000 2.534 218 I HA 0.291 4.497 4.170 0.061 0.000 0.288 218 I C 1.101 177.093 176.117 -0.208 0.000 1.077 218 I CA -0.850 60.340 61.300 -0.183 0.000 1.051 218 I CB 2.241 40.135 38.000 -0.176 0.000 1.234 218 I HN 0.014 nan 8.210 nan 0.000 0.425 219 G N 4.508 113.111 108.800 -0.329 0.000 2.434 219 G HA2 0.235 4.232 3.960 0.061 0.000 0.214 219 G HA3 0.235 4.232 3.960 0.061 0.000 0.214 219 G C 0.443 174.959 174.900 -0.641 0.000 1.202 219 G CA 0.888 45.741 45.100 -0.412 0.000 0.788 219 G HN 0.686 nan 8.290 nan 0.000 0.539 220 A N -0.967 121.408 122.820 -0.741 0.000 2.427 220 A HA 0.650 5.007 4.320 0.061 0.000 0.298 220 A C -0.694 176.371 177.584 -0.865 0.000 1.036 220 A CA -0.363 51.142 52.037 -0.888 0.000 0.701 220 A CB 1.459 19.638 19.000 -1.367 0.000 1.250 220 A HN 0.047 nan 8.150 nan 0.000 0.412 221 T N 2.844 117.067 114.554 -0.551 0.000 2.744 221 T HA 0.598 4.985 4.350 0.061 0.000 0.291 221 T C -1.160 173.320 174.700 -0.366 0.000 0.957 221 T CA 0.385 62.273 62.100 -0.353 0.000 1.002 221 T CB -0.302 68.579 68.868 0.021 0.000 0.919 221 T HN 0.314 nan 8.240 nan 0.000 0.468 222 F N 1.878 121.689 119.950 -0.231 0.000 2.493 222 F HA 0.657 5.235 4.527 0.084 0.000 0.329 222 F C 0.637 176.213 175.800 -0.373 0.000 1.126 222 F CA -1.429 56.387 58.000 -0.307 0.000 0.937 222 F CB 2.114 40.770 39.000 -0.574 0.000 1.146 222 F HN 0.627 nan 8.300 nan 0.000 0.442 223 G N 3.550 112.285 108.800 -0.108 0.000 2.744 223 G HA2 0.495 4.492 3.960 0.061 0.000 0.286 223 G HA3 0.495 4.492 3.960 0.061 0.000 0.286 223 G C -1.777 172.797 174.900 -0.545 0.000 1.497 223 G CA -0.524 44.295 45.100 -0.468 0.000 1.070 223 G HN 0.548 nan 8.290 nan 0.000 0.539 224 N N 1.344 119.408 118.700 -1.060 0.000 3.049 224 N HA 0.012 4.789 4.740 0.061 0.000 0.244 224 N C 0.875 175.873 175.510 -0.853 0.000 1.203 224 N CA -0.459 52.225 53.050 -0.610 0.000 0.945 224 N CB 1.572 40.121 38.487 0.103 0.000 1.616 224 N HN 0.438 nan 8.380 nan 0.000 0.505 225 Q N 0.109 119.451 119.800 -0.763 0.000 2.062 225 Q HA -0.183 4.194 4.340 0.061 0.000 0.209 225 Q C 0.162 176.075 176.000 -0.145 0.000 0.996 225 Q CA 1.803 57.176 55.803 -0.717 0.000 0.859 225 Q CB -0.029 28.288 28.738 -0.702 0.000 0.920 225 Q HN 0.679 nan 8.270 nan 0.000 0.415 226 Q N -1.793 117.895 119.800 -0.186 0.000 2.527 226 Q HA 0.485 4.862 4.340 0.061 0.000 0.280 226 Q C -1.631 173.874 176.000 -0.824 0.000 0.977 226 Q CA -0.571 55.044 55.803 -0.312 0.000 0.837 226 Q CB 1.078 29.822 28.738 0.010 0.000 1.454 226 Q HN 0.148 nan 8.270 nan 0.000 0.387 227 F N -0.334 118.762 119.950 -1.423 0.000 2.719 227 F HA 0.533 5.157 4.527 0.163 0.000 0.309 227 F C -1.055 174.248 175.800 -0.828 0.000 1.138 227 F CA -0.256 56.942 58.000 -1.336 0.000 0.943 227 F CB 2.715 40.231 39.000 -2.472 0.000 1.304 227 F HN 0.577 nan 8.300 nan 0.000 0.445 228 T N 2.755 117.174 114.554 -0.225 0.000 2.807 228 T HA 0.684 5.071 4.350 0.061 0.000 0.279 228 T C -1.336 173.325 174.700 -0.066 0.000 0.993 228 T CA -0.585 61.502 62.100 -0.022 0.000 0.970 228 T CB 1.669 70.664 68.868 0.211 0.000 0.950 228 T HN 0.298 nan 8.240 nan 0.000 0.441 229 V N 3.803 123.642 119.914 -0.126 0.000 2.531 229 V HA 0.621 4.778 4.120 0.061 0.000 0.301 229 V C -0.131 176.031 176.094 0.113 0.000 1.034 229 V CA -0.866 61.341 62.300 -0.154 0.000 0.865 229 V CB 1.849 33.531 31.823 -0.235 0.000 0.995 229 V HN 0.727 nan 8.190 nan 0.000 0.424 230 R N 4.272 124.846 120.500 0.123 0.000 2.561 230 R HA 0.450 4.826 4.340 0.061 0.000 0.297 230 R C -0.066 176.384 176.300 0.251 0.000 0.969 230 R CA -0.515 55.767 56.100 0.303 0.000 0.879 230 R CB 0.941 31.541 30.300 0.501 0.000 1.178 230 R HN 0.784 nan 8.270 nan 0.000 0.445 231 N N 2.896 121.744 118.700 0.247 0.000 2.726 231 N HA -0.180 4.597 4.740 0.061 0.000 0.253 231 N C -2.071 173.533 175.510 0.156 0.000 1.059 231 N CA 0.468 53.631 53.050 0.188 0.000 0.701 231 N CB -0.615 37.968 38.487 0.160 0.000 0.899 231 N HN 0.397 nan 8.380 nan 0.000 0.548 232 L N 0.846 122.190 121.223 0.201 0.000 2.317 232 L HA 0.602 4.978 4.340 0.061 0.000 0.281 232 L C 0.554 177.454 176.870 0.050 0.000 1.024 232 L CA -0.187 54.725 54.840 0.120 0.000 0.810 232 L CB 1.861 44.062 42.059 0.236 0.000 1.240 232 L HN 0.231 nan 8.230 nan 0.000 0.427 233 T N 3.440 117.932 114.554 -0.104 0.000 2.824 233 T HA 0.642 5.029 4.350 0.061 0.000 0.282 233 T C -0.902 173.691 174.700 -0.178 0.000 0.993 233 T CA -0.197 61.880 62.100 -0.037 0.000 0.967 233 T CB 0.564 69.439 68.868 0.012 0.000 0.960 233 T HN 0.085 nan 8.240 nan 0.000 0.441 234 F N 2.337 122.358 119.950 0.118 0.000 2.493 234 F HA 0.478 5.039 4.527 0.057 0.000 0.329 234 F C 0.477 176.303 175.800 0.043 0.000 1.126 234 F CA -0.932 57.113 58.000 0.075 0.000 0.937 234 F CB 1.472 40.416 39.000 -0.093 0.000 1.146 234 F HN 0.441 nan 8.300 nan 0.000 0.442 235 N N 3.354 122.178 118.700 0.207 0.000 2.372 235 N HA 0.308 5.085 4.740 0.061 0.000 0.285 235 N C -0.812 174.758 175.510 0.100 0.000 1.008 235 N CA -0.811 52.312 53.050 0.121 0.000 0.880 235 N CB 0.920 39.458 38.487 0.085 0.000 1.239 235 N HN 0.524 nan 8.380 nan 0.000 0.484 236 N N -0.429 118.308 118.700 0.063 0.000 2.725 236 N HA -0.211 4.566 4.740 0.061 0.000 0.249 236 N C -0.792 174.734 175.510 0.028 0.000 1.103 236 N CA 0.694 53.765 53.050 0.035 0.000 0.707 236 N CB -1.201 37.305 38.487 0.032 0.000 1.043 236 N HN 0.599 nan 8.380 nan 0.000 0.553 237 A N 0.132 122.966 122.820 0.023 0.000 2.286 237 A HA 0.435 4.792 4.320 0.061 0.000 0.286 237 A C 1.416 178.964 177.584 -0.060 0.000 1.097 237 A CA 0.079 52.105 52.037 -0.017 0.000 0.821 237 A CB 0.688 19.661 19.000 -0.045 0.000 1.076 237 A HN 0.222 nan 8.150 nan 0.000 0.490 238 N N 0.193 118.847 118.700 -0.077 0.000 2.051 238 N HA -0.055 4.722 4.740 0.061 0.000 0.192 238 N C 0.205 175.634 175.510 -0.134 0.000 1.049 238 N CA 2.010 55.007 53.050 -0.090 0.000 0.845 238 N CB -0.069 38.369 38.487 -0.083 0.000 1.031 238 N HN 0.550 nan 8.380 nan 0.000 0.425 239 T N 0.330 114.774 114.554 -0.183 0.000 2.786 239 T HA 0.634 5.021 4.350 0.061 0.000 0.283 239 T C 0.688 175.143 174.700 -0.408 0.000 0.992 239 T CA -0.208 61.730 62.100 -0.270 0.000 0.954 239 T CB 1.681 70.396 68.868 -0.255 0.000 0.934 239 T HN 0.312 nan 8.240 nan 0.000 0.440 240 A N 4.030 126.507 122.820 -0.573 0.000 1.845 240 A HA 0.225 4.582 4.320 0.061 0.000 0.215 240 A C 0.688 177.505 177.584 -1.279 0.000 1.195 240 A CA 1.093 52.501 52.037 -1.048 0.000 0.616 240 A CB -0.262 17.931 19.000 -1.345 0.000 0.832 240 A HN 0.763 nan 8.150 nan 0.000 0.443 241 I N -0.149 119.771 120.570 -1.084 0.000 2.468 241 I HA 0.189 4.396 4.170 0.061 0.000 0.285 241 I C -0.518 175.227 176.117 -0.621 0.000 1.039 241 I CA -0.248 60.485 61.300 -0.946 0.000 1.074 241 I CB 1.809 39.139 38.000 -1.115 0.000 1.228 241 I HN 0.344 nan 8.210 nan 0.000 0.436 242 N N 6.182 124.577 118.700 -0.507 0.000 2.589 242 N HA 0.498 5.275 4.740 0.061 0.000 0.232 242 N C -0.704 174.642 175.510 -0.274 0.000 1.015 242 N CA -0.307 52.547 53.050 -0.327 0.000 0.931 242 N CB 1.015 39.353 38.487 -0.248 0.000 1.150 242 N HN 0.701 nan 8.380 nan 0.000 0.512 243 A N 4.704 127.375 122.820 -0.248 0.000 2.279 243 A HA 0.276 4.633 4.320 0.061 0.000 0.306 243 A C 1.260 178.772 177.584 -0.121 0.000 1.300 243 A CA -0.745 51.161 52.037 -0.218 0.000 0.925 243 A CB -0.168 18.672 19.000 -0.267 0.000 1.152 243 A HN 0.844 nan 8.150 nan 0.000 0.544 244 I N 0.442 120.982 120.570 -0.051 0.000 2.867 244 I HA 0.336 4.543 4.170 0.061 0.000 0.265 244 I C 0.499 176.773 176.117 0.262 0.000 1.162 244 I CA -0.226 61.134 61.300 0.099 0.000 1.471 244 I CB 0.149 38.239 38.000 0.151 0.000 1.123 244 I HN 0.745 nan 8.210 nan 0.000 0.440 245 W N 2.685 123.985 121.300 0.001 0.000 3.298 245 W HA 0.539 5.243 4.660 0.073 0.000 0.302 245 W C -2.290 174.259 176.519 0.050 0.000 1.255 245 W CA -1.046 56.331 57.345 0.054 0.000 1.196 245 W CB 0.403 29.907 29.460 0.074 0.000 1.364 245 W HN 0.220 nan 8.180 nan 0.000 0.566 246 N N -0.445 118.359 118.700 0.173 0.000 3.116 246 N HA 0.382 5.159 4.740 0.061 0.000 0.244 246 N C -0.622 175.198 175.510 0.516 0.000 1.485 246 N CA -0.561 52.471 53.050 -0.029 0.000 0.884 246 N CB 0.639 39.108 38.487 -0.030 0.000 1.415 246 N HN 0.347 nan 8.380 nan 0.000 0.524 247 W N -0.300 121.203 121.300 0.338 0.000 2.630 247 W HA 0.567 5.264 4.660 0.063 0.000 0.275 247 W C 0.504 177.220 176.519 0.329 0.000 1.192 247 W CA 1.207 58.766 57.345 0.357 0.000 1.410 247 W CB -0.442 29.225 29.460 0.345 0.000 1.075 247 W HN 0.844 nan 8.180 nan 0.000 0.581 248 G N -1.296 107.854 108.800 0.584 0.000 2.658 248 G HA2 0.385 4.382 3.960 0.061 0.000 0.301 248 G HA3 0.385 4.382 3.960 0.061 0.000 0.301 248 G C -2.288 172.939 174.900 0.544 0.000 1.481 248 G CA -0.851 44.534 45.100 0.475 0.000 0.931 248 G HN -0.128 nan 8.290 nan 0.000 0.573 249 W N 0.137 121.515 121.300 0.131 0.000 2.902 249 W HA 0.784 5.521 4.660 0.129 0.000 0.346 249 W C -0.049 176.526 176.519 0.094 0.000 1.139 249 W CA -0.734 56.648 57.345 0.062 0.000 1.139 249 W CB 2.365 31.828 29.460 0.006 0.000 1.439 249 W HN 0.484 nan 8.180 nan 0.000 0.558 250 T N 2.385 117.089 114.554 0.250 0.000 2.812 250 T HA 0.564 4.951 4.350 0.061 0.000 0.282 250 T C -1.385 173.454 174.700 0.231 0.000 0.990 250 T CA -0.405 61.881 62.100 0.310 0.000 0.960 250 T CB 0.403 69.459 68.868 0.314 0.000 0.948 250 T HN 0.003 nan 8.240 nan 0.000 0.438 251 F N 2.575 122.789 119.950 0.440 0.000 2.426 251 F HA 0.481 5.062 4.527 0.091 0.000 0.348 251 F C 0.467 176.517 175.800 0.418 0.000 1.124 251 F CA -0.759 57.508 58.000 0.446 0.000 1.008 251 F CB 1.746 41.054 39.000 0.514 0.000 1.139 251 F HN 0.322 nan 8.300 nan 0.000 0.452 252 Q N 3.325 123.425 119.800 0.500 0.000 2.340 252 Q HA 0.497 4.874 4.340 0.061 0.000 0.268 252 Q C -0.298 175.894 176.000 0.320 0.000 1.031 252 Q CA -1.062 54.964 55.803 0.372 0.000 0.804 252 Q CB 1.405 30.340 28.738 0.328 0.000 1.286 252 Q HN 0.650 nan 8.270 nan 0.000 0.448 253 R N 2.630 123.279 120.500 0.248 0.000 3.201 253 R HA -0.124 4.252 4.340 0.061 0.000 0.254 253 R C -1.537 174.913 176.300 0.251 0.000 0.978 253 R CA 0.348 56.568 56.100 0.200 0.000 0.661 253 R CB -1.533 28.863 30.300 0.160 0.000 1.170 253 R HN 0.524 nan 8.270 nan 0.000 0.430 254 I N 0.873 121.628 120.570 0.307 0.000 2.392 254 I HA 0.372 4.579 4.170 0.061 0.000 0.295 254 I C 0.654 176.929 176.117 0.262 0.000 0.985 254 I CA -0.148 61.367 61.300 0.358 0.000 1.221 254 I CB 1.788 40.098 38.000 0.516 0.000 1.366 254 I HN 0.214 nan 8.210 nan 0.000 0.467 255 T N 7.155 121.856 114.554 0.246 0.000 2.812 255 T HA 0.682 5.069 4.350 0.061 0.000 0.282 255 T C -0.141 174.694 174.700 0.226 0.000 0.990 255 T CA -0.302 61.903 62.100 0.175 0.000 0.960 255 T CB 1.502 70.441 68.868 0.119 0.000 0.948 255 T HN 0.276 nan 8.240 nan 0.000 0.438 256 I N 3.704 124.374 120.570 0.167 0.000 2.468 256 I HA 0.378 4.585 4.170 0.061 0.000 0.285 256 I C -0.670 175.501 176.117 0.090 0.000 1.039 256 I CA -0.723 60.673 61.300 0.161 0.000 1.074 256 I CB 1.695 39.767 38.000 0.119 0.000 1.228 256 I HN 0.575 nan 8.210 nan 0.000 0.436 257 N N 6.165 124.919 118.700 0.091 0.000 2.354 257 N HA 0.387 5.164 4.740 0.061 0.000 0.287 257 N C -0.714 174.821 175.510 0.042 0.000 1.016 257 N CA -0.799 52.283 53.050 0.054 0.000 0.871 257 N CB 1.083 39.602 38.487 0.053 0.000 1.299 257 N HN 0.481 nan 8.380 nan 0.000 0.482 258 N N -0.023 118.690 118.700 0.021 0.000 2.740 258 N HA -0.165 4.612 4.740 0.061 0.000 0.248 258 N C -1.100 174.412 175.510 0.003 0.000 1.062 258 N CA 0.589 53.646 53.050 0.011 0.000 0.704 258 N CB -1.651 36.844 38.487 0.014 0.000 0.968 258 N HN 0.407 nan 8.380 nan 0.000 0.547 259 C N 0.032 119.328 119.300 -0.007 0.000 2.401 259 C HA 0.322 4.818 4.460 0.061 0.000 0.356 259 C C 1.978 176.942 174.990 -0.043 0.000 1.192 259 C CA -0.785 58.211 59.018 -0.035 0.000 2.028 259 C CB 2.142 29.841 27.740 -0.069 0.000 2.344 259 C HN 0.327 nan 8.230 nan 0.000 0.525 260 Q N 0.359 120.122 119.800 -0.061 0.000 2.062 260 Q HA 0.100 4.477 4.340 0.061 0.000 0.196 260 Q C 0.176 176.136 176.000 -0.068 0.000 0.967 260 Q CA 1.242 57.010 55.803 -0.058 0.000 0.832 260 Q CB -0.123 28.578 28.738 -0.061 0.000 0.899 260 Q HN 0.615 nan 8.270 nan 0.000 0.442 261 V N -0.386 119.464 119.914 -0.107 0.000 2.709 261 V HA 0.499 4.656 4.120 0.061 0.000 0.308 261 V C 0.812 176.790 176.094 -0.192 0.000 1.062 261 V CA -0.122 62.100 62.300 -0.129 0.000 0.901 261 V CB 1.732 33.464 31.823 -0.152 0.000 1.003 261 V HN 0.308 nan 8.190 nan 0.000 0.425 262 G N 2.954 111.662 108.800 -0.153 0.000 2.624 262 G HA2 0.067 4.064 3.960 0.061 0.000 0.216 262 G HA3 0.067 4.064 3.960 0.061 0.000 0.216 262 G C 0.032 174.626 174.900 -0.510 0.000 1.274 262 G CA 0.422 45.382 45.100 -0.232 0.000 0.856 262 G HN 0.449 nan 8.290 nan 0.000 0.555 263 F N 1.223 120.874 119.950 -0.499 0.000 2.361 263 F HA 0.380 4.940 4.527 0.055 0.000 0.364 263 F C -0.572 174.917 175.800 -0.518 0.000 1.120 263 F CA -0.851 56.798 58.000 -0.586 0.000 1.102 263 F CB 1.772 40.335 39.000 -0.727 0.000 1.183 263 F HN -0.012 nan 8.300 nan 0.000 0.476 264 D N 5.187 125.397 120.400 -0.317 0.000 2.428 264 D HA 0.327 5.004 4.640 0.061 0.000 0.221 264 D C -0.716 175.410 176.300 -0.290 0.000 1.123 264 D CA -0.038 53.798 54.000 -0.273 0.000 0.869 264 D CB 0.616 41.281 40.800 -0.225 0.000 1.032 264 D HN 0.367 nan 8.370 nan 0.000 0.506 265 L N 2.856 123.846 121.223 -0.387 0.000 2.282 265 L HA 0.361 4.738 4.340 0.061 0.000 0.288 265 L C 0.620 177.395 176.870 -0.159 0.000 1.033 265 L CA -0.683 53.876 54.840 -0.469 0.000 0.807 265 L CB 1.618 42.952 42.059 -1.208 0.000 1.209 265 L HN 0.119 nan 8.230 nan 0.000 0.423 266 T N 2.905 117.452 114.554 -0.012 0.000 2.761 266 T HA 0.091 4.478 4.350 0.061 0.000 0.296 266 T C -0.002 174.890 174.700 0.320 0.000 0.934 266 T CA -0.108 62.077 62.100 0.142 0.000 1.091 266 T CB 0.863 69.805 68.868 0.123 0.000 0.896 266 T HN 0.491 nan 8.240 nan 0.000 0.515 267 Q N 2.389 122.412 119.800 0.372 0.000 2.267 267 Q HA 0.517 4.894 4.340 0.061 0.000 0.255 267 Q C 0.310 176.442 176.000 0.219 0.000 0.923 267 Q CA -0.554 55.463 55.803 0.358 0.000 0.925 267 Q CB 0.728 29.610 28.738 0.241 0.000 1.195 267 Q HN 0.855 nan 8.270 nan 0.000 0.417 268 G N 1.815 110.740 108.800 0.207 0.000 2.971 268 G HA2 0.646 4.643 3.960 0.061 0.000 0.235 268 G HA3 0.646 4.643 3.960 0.061 0.000 0.235 268 G C -0.408 174.563 174.900 0.117 0.000 1.351 268 G CA -0.368 44.829 45.100 0.161 0.000 1.039 268 G HN 0.727 nan 8.290 nan 0.000 0.563 269 G N -2.023 106.841 108.800 0.106 0.000 2.557 269 G HA2 0.419 4.416 3.960 0.061 0.000 0.292 269 G HA3 0.419 4.416 3.960 0.061 0.000 0.292 269 G C 0.975 175.926 174.900 0.086 0.000 1.237 269 G CA 0.695 45.843 45.100 0.081 0.000 0.978 269 G HN 0.945 nan 8.290 nan 0.000 0.498 270 T N -3.043 111.548 114.554 0.061 0.000 3.044 270 T HA 0.212 4.599 4.350 0.061 0.000 0.250 270 T C 1.292 175.999 174.700 0.011 0.000 1.081 270 T CA 0.568 62.694 62.100 0.045 0.000 1.040 270 T CB 0.112 68.997 68.868 0.027 0.000 0.962 270 T HN 0.483 nan 8.240 nan 0.000 0.506 271 S N 2.648 118.353 115.700 0.007 0.000 2.584 271 S HA 0.211 4.718 4.470 0.061 0.000 0.273 271 S C 1.413 176.009 174.600 -0.005 0.000 1.311 271 S CA -0.600 57.589 58.200 -0.018 0.000 1.034 271 S CB 0.445 63.634 63.200 -0.017 0.000 0.939 271 S HN 0.521 nan 8.310 nan 0.000 0.513 272 N N 2.673 121.339 118.700 -0.056 0.000 2.571 272 N HA -0.079 4.698 4.740 0.061 0.000 0.189 272 N C 0.986 176.499 175.510 0.005 0.000 1.154 272 N CA 1.147 54.155 53.050 -0.070 0.000 0.907 272 N CB -0.575 37.750 38.487 -0.270 0.000 0.977 272 N HN 0.656 nan 8.380 nan 0.000 0.449 273 T N -5.167 109.390 114.554 0.004 0.000 3.044 273 T HA 0.400 4.787 4.350 0.061 0.000 0.260 273 T C 0.930 175.650 174.700 0.033 0.000 1.019 273 T CA -0.131 61.982 62.100 0.022 0.000 0.921 273 T CB 0.162 69.028 68.868 -0.002 0.000 1.053 273 T HN 0.154 nan 8.240 nan 0.000 0.533 274 G N 1.142 109.966 108.800 0.040 0.000 2.531 274 G HA2 0.626 4.623 3.960 0.061 0.000 0.281 274 G HA3 0.626 4.623 3.960 0.061 0.000 0.281 274 G C -0.140 174.794 174.900 0.057 0.000 1.382 274 G CA -0.636 44.489 45.100 0.041 0.000 1.045 274 G HN 0.581 nan 8.290 nan 0.000 0.533 275 A N -0.644 122.209 122.820 0.056 0.000 2.450 275 A HA 0.499 4.855 4.320 0.061 0.000 0.255 275 A C 0.239 177.881 177.584 0.095 0.000 1.096 275 A CA 0.040 52.113 52.037 0.059 0.000 0.778 275 A CB 0.627 19.662 19.000 0.058 0.000 1.031 275 A HN 0.523 nan 8.150 nan 0.000 0.494 276 Q N 1.837 121.690 119.800 0.089 0.000 2.274 276 Q HA 0.556 4.933 4.340 0.061 0.000 0.256 276 Q C 0.333 176.468 176.000 0.225 0.000 0.927 276 Q CA 0.624 56.528 55.803 0.168 0.000 0.939 276 Q CB 1.211 30.018 28.738 0.114 0.000 1.201 276 Q HN 0.855 nan 8.270 nan 0.000 0.426 277 G N 1.574 110.553 108.800 0.298 0.000 3.122 277 G HA2 0.428 4.425 3.960 0.061 0.000 0.180 277 G HA3 0.428 4.425 3.960 0.061 0.000 0.180 277 G C -1.085 174.067 174.900 0.420 0.000 1.279 277 G CA -0.633 44.667 45.100 0.334 0.000 0.987 277 G HN 0.493 nan 8.290 nan 0.000 0.589 278 V N 1.716 121.855 119.914 0.375 0.000 2.415 278 V HA 0.323 4.480 4.120 0.061 0.000 0.267 278 V C 1.666 178.030 176.094 0.450 0.000 1.042 278 V CA 0.622 63.130 62.300 0.345 0.000 1.000 278 V CB 0.415 32.347 31.823 0.182 0.000 1.015 278 V HN 0.890 nan 8.190 nan 0.000 0.478 279 G N 4.056 113.114 108.800 0.430 0.000 2.404 279 G HA2 0.271 4.267 3.960 0.061 0.000 0.215 279 G HA3 0.271 4.267 3.960 0.061 0.000 0.215 279 G C 0.477 175.603 174.900 0.376 0.000 1.174 279 G CA 0.860 46.198 45.100 0.397 0.000 0.780 279 G HN 1.056 nan 8.290 nan 0.000 0.537 280 A N -0.660 122.383 122.820 0.370 0.000 2.540 280 A HA 0.643 5.000 4.320 0.061 0.000 0.297 280 A C -1.465 176.289 177.584 0.283 0.000 1.056 280 A CA -0.633 51.597 52.037 0.323 0.000 0.700 280 A CB 1.531 20.688 19.000 0.261 0.000 1.280 280 A HN 0.040 nan 8.150 nan 0.000 0.398 281 E N 0.570 120.912 120.200 0.237 0.000 2.248 281 E HA 0.667 5.054 4.350 0.061 0.000 0.267 281 E C -0.780 175.902 176.600 0.137 0.000 0.877 281 E CA -0.603 55.912 56.400 0.192 0.000 0.759 281 E CB 2.386 32.085 29.700 -0.001 0.000 1.182 281 E HN 0.993 nan 8.360 nan 0.000 0.418 282 A N 3.912 126.828 122.820 0.161 0.000 2.311 282 A HA 0.675 5.032 4.320 0.061 0.000 0.306 282 A C -0.529 177.275 177.584 0.367 0.000 1.189 282 A CA -0.609 51.423 52.037 -0.008 0.000 0.791 282 A CB 0.264 18.965 19.000 -0.499 0.000 1.172 282 A HN 0.541 nan 8.150 nan 0.000 0.481 283 I N 3.345 124.186 120.570 0.451 0.000 2.418 283 I HA 0.488 4.694 4.170 0.061 0.000 0.287 283 I C -0.660 175.772 176.117 0.526 0.000 1.008 283 I CA -0.387 61.198 61.300 0.475 0.000 1.104 283 I CB 1.729 39.810 38.000 0.136 0.000 1.264 283 I HN 0.663 nan 8.210 nan 0.000 0.438 284 I N 5.705 126.524 120.570 0.414 0.000 2.498 284 I HA 0.381 4.588 4.170 0.061 0.000 0.290 284 I C -1.157 175.016 176.117 0.094 0.000 1.032 284 I CA -0.125 61.221 61.300 0.077 0.000 1.073 284 I CB 1.276 39.056 38.000 -0.366 0.000 1.251 284 I HN 0.586 nan 8.210 nan 0.000 0.426 285 D N 5.386 125.804 120.400 0.031 0.000 3.133 285 D HA -0.155 4.522 4.640 0.061 0.000 0.239 285 D C -0.689 175.665 176.300 0.090 0.000 1.136 285 D CA 1.151 55.172 54.000 0.036 0.000 0.898 285 D CB -0.654 40.156 40.800 0.015 0.000 0.959 285 D HN 0.679 nan 8.370 nan 0.000 0.415 286 A N 0.186 123.045 122.820 0.065 0.000 2.355 286 A HA 0.794 5.151 4.320 0.061 0.000 0.324 286 A C -0.185 177.380 177.584 -0.032 0.000 1.117 286 A CA -0.593 51.485 52.037 0.068 0.000 0.785 286 A CB 2.013 21.073 19.000 0.101 0.000 1.254 286 A HN 0.174 nan 8.150 nan 0.000 0.453 287 V N 2.025 121.934 119.914 -0.009 0.000 2.483 287 V HA 0.515 4.672 4.120 0.061 0.000 0.297 287 V C -0.734 175.328 176.094 -0.054 0.000 1.027 287 V CA -0.438 61.834 62.300 -0.047 0.000 0.855 287 V CB 1.439 33.259 31.823 -0.004 0.000 0.995 287 V HN 0.680 nan 8.190 nan 0.000 0.424 288 V N 3.891 123.728 119.914 -0.129 0.000 2.588 288 V HA 0.796 4.953 4.120 0.061 0.000 0.304 288 V C 0.000 176.052 176.094 -0.070 0.000 1.042 288 V CA -0.421 61.815 62.300 -0.106 0.000 0.877 288 V CB 2.200 33.874 31.823 -0.247 0.000 0.996 288 V HN 0.998 nan 8.190 nan 0.000 0.425 289 T N 0.234 114.774 114.554 -0.024 0.000 2.916 289 T HA 0.499 4.886 4.350 0.061 0.000 0.298 289 T C -0.123 174.574 174.700 -0.006 0.000 1.031 289 T CA -0.671 61.418 62.100 -0.017 0.000 0.993 289 T CB 1.029 69.893 68.868 -0.008 0.000 1.045 289 T HN 0.740 nan 8.240 nan 0.000 0.454 290 N N 0.594 119.288 118.700 -0.010 0.000 2.705 290 N HA -0.143 4.634 4.740 0.061 0.000 0.255 290 N C -0.818 174.690 175.510 -0.003 0.000 1.008 290 N CA 0.912 53.959 53.050 -0.005 0.000 0.742 290 N CB -0.875 37.611 38.487 -0.003 0.000 0.906 290 N HN 0.784 nan 8.380 nan 0.000 0.541 291 T N -0.415 114.138 114.554 -0.001 0.000 2.861 291 T HA 0.190 4.577 4.350 0.061 0.000 0.287 291 T C 0.792 175.495 174.700 0.005 0.000 1.003 291 T CA -0.686 61.416 62.100 0.003 0.000 0.977 291 T CB 2.293 71.173 68.868 0.020 0.000 0.996 291 T HN 0.064 nan 8.240 nan 0.000 0.448 292 Q N 1.721 121.518 119.800 -0.005 0.000 2.046 292 Q HA 0.001 4.378 4.340 0.061 0.000 0.200 292 Q C 0.102 176.104 176.000 0.003 0.000 0.975 292 Q CA 1.350 57.150 55.803 -0.006 0.000 0.836 292 Q CB 0.208 28.937 28.738 -0.015 0.000 0.896 292 Q HN 0.667 nan 8.270 nan 0.000 0.428 293 T N 0.648 115.204 114.554 0.004 0.000 2.879 293 T HA 0.197 4.584 4.350 0.061 0.000 0.290 293 T C 0.054 174.789 174.700 0.058 0.000 0.993 293 T CA -0.592 61.516 62.100 0.013 0.000 0.975 293 T CB 1.013 69.864 68.868 -0.028 0.000 0.981 293 T HN 0.078 nan 8.240 nan 0.000 0.439 294 F N 4.548 124.456 119.950 -0.071 0.000 2.039 294 F HA 0.246 4.808 4.527 0.059 0.000 0.294 294 F C 0.414 176.190 175.800 -0.040 0.000 1.130 294 F CA 0.967 58.937 58.000 -0.050 0.000 1.189 294 F CB 0.044 39.007 39.000 -0.062 0.000 0.983 294 F HN 0.304 nan 8.300 nan 0.000 0.471 295 V N 2.268 121.880 119.914 -0.503 0.000 2.487 295 V HA 0.421 4.578 4.120 0.061 0.000 0.298 295 V C -0.529 175.367 176.094 -0.330 0.000 1.028 295 V CA -0.785 61.157 62.300 -0.597 0.000 0.860 295 V CB 1.548 32.867 31.823 -0.840 0.000 0.991 295 V HN 0.186 nan 8.190 nan 0.000 0.427 296 R N 3.478 123.790 120.500 -0.312 0.000 2.439 296 R HA 0.430 4.807 4.340 0.061 0.000 0.310 296 R C -1.634 174.542 176.300 -0.206 0.000 0.955 296 R CA -0.503 55.494 56.100 -0.171 0.000 0.853 296 R CB 1.197 31.427 30.300 -0.117 0.000 1.171 296 R HN 0.675 nan 8.270 nan 0.000 0.449 297 W N 2.094 123.364 121.300 -0.049 0.000 2.381 297 W HA 0.139 4.835 4.660 0.061 0.000 0.329 297 W C 1.527 178.038 176.519 -0.012 0.000 1.157 297 W CA -0.288 57.045 57.345 -0.021 0.000 1.240 297 W CB 1.875 31.339 29.460 0.006 0.000 1.199 297 W HN 0.698 nan 8.180 nan 0.000 0.579 298 S N 1.288 117.160 115.700 0.287 0.000 2.453 298 S HA 0.225 4.732 4.470 0.061 0.000 0.231 298 S C 0.651 175.337 174.600 0.143 0.000 1.005 298 S CA 0.533 58.828 58.200 0.159 0.000 0.949 298 S CB -0.150 63.128 63.200 0.129 0.000 0.774 298 S HN 0.535 nan 8.310 nan 0.000 0.510 299 G N -0.290 108.615 108.800 0.175 0.000 2.695 299 G HA2 0.691 4.688 3.960 0.061 0.000 0.290 299 G HA3 0.691 4.688 3.960 0.061 0.000 0.290 299 G C -0.994 173.940 174.900 0.057 0.000 1.410 299 G CA -0.532 44.623 45.100 0.092 0.000 0.844 299 G HN 0.512 nan 8.290 nan 0.000 0.478 300 A N -0.113 122.712 122.820 0.009 0.000 2.286 300 A HA 0.780 5.137 4.320 0.061 0.000 0.286 300 A C 0.414 177.932 177.584 -0.109 0.000 1.097 300 A CA -0.257 51.765 52.037 -0.025 0.000 0.821 300 A CB 0.776 19.772 19.000 -0.006 0.000 1.076 300 A HN 0.845 nan 8.150 nan 0.000 0.490 301 S N 0.538 116.162 115.700 -0.128 0.000 2.451 301 S HA 0.488 4.994 4.470 0.061 0.000 0.301 301 S C 0.109 174.584 174.600 -0.209 0.000 1.116 301 S CA -0.325 57.744 58.200 -0.218 0.000 1.093 301 S CB 1.248 64.374 63.200 -0.123 0.000 1.017 301 S HN 0.953 nan 8.310 nan 0.000 0.482 302 S N 1.300 116.759 115.700 -0.401 0.000 2.217 302 S HA 0.549 5.056 4.470 0.061 0.000 0.168 302 S C 1.003 175.352 174.600 -0.417 0.000 1.526 302 S CA -0.276 57.749 58.200 -0.292 0.000 1.150 302 S CB 0.027 63.114 63.200 -0.190 0.000 1.158 302 S HN 1.364 nan 8.310 nan 0.000 0.473 303 G N 1.748 110.247 108.800 -0.500 0.000 2.168 303 G HA2 -0.258 3.739 3.960 0.061 0.000 0.263 303 G HA3 -0.258 3.739 3.960 0.061 0.000 0.263 303 G C -0.102 174.239 174.900 -0.931 0.000 0.977 303 G CA 0.840 45.615 45.100 -0.541 0.000 0.659 303 G HN 1.384 nan 8.290 nan 0.000 0.533 304 H N -2.896 115.415 119.070 -1.266 0.000 2.980 304 H HA 0.707 5.299 4.556 0.061 0.000 0.367 304 H C -0.276 174.525 175.328 -0.878 0.000 1.206 304 H CA -1.247 54.212 56.048 -0.981 0.000 1.126 304 H CB 0.766 30.282 29.762 -0.410 0.000 1.838 304 H HN 0.576 nan 8.280 nan 0.000 0.552 305 L N 1.374 122.509 121.223 -0.147 0.000 2.540 305 L HA 0.165 4.541 4.340 0.061 0.000 0.276 305 L C -0.154 176.744 176.870 0.047 0.000 1.212 305 L CA 1.058 55.962 54.840 0.107 0.000 0.893 305 L CB 0.115 42.286 42.059 0.187 0.000 1.138 305 L HN 0.881 nan 8.230 nan 0.000 0.491 306 Q N 4.351 124.112 119.800 -0.064 0.000 4.082 306 Q HA 0.468 4.845 4.340 0.061 0.000 0.180 306 Q C -0.649 175.216 176.000 -0.225 0.000 0.863 306 Q CA 0.102 55.853 55.803 -0.087 0.000 0.772 306 Q CB 0.386 29.040 28.738 -0.141 0.000 1.527 306 Q HN 1.181 nan 8.270 nan 0.000 0.441 307 G N 1.460 110.181 108.800 -0.132 0.000 3.421 307 G HA2 -0.152 3.845 3.960 0.061 0.000 0.686 307 G HA3 -0.152 3.845 3.960 0.061 0.000 0.686 307 G C -0.845 173.946 174.900 -0.180 0.000 1.056 307 G CA -0.126 44.840 45.100 -0.224 0.000 0.891 307 G HN 0.386 nan 8.290 nan 0.000 0.514 308 S N 0.593 116.392 115.700 0.166 0.000 2.578 308 S HA 0.854 5.361 4.470 0.061 0.000 0.283 308 S C -0.230 174.595 174.600 0.375 0.000 1.195 308 S CA -0.552 57.769 58.200 0.201 0.000 1.050 308 S CB 1.404 64.712 63.200 0.180 0.000 1.012 308 S HN 1.754 nan 8.310 nan 0.000 0.511 309 L N 5.023 126.434 121.223 0.313 0.000 2.464 309 L HA 0.719 5.096 4.340 0.061 0.000 0.266 309 L C -1.618 175.403 176.870 0.252 0.000 0.965 309 L CA -0.373 54.674 54.840 0.343 0.000 0.833 309 L CB 1.974 44.351 42.059 0.530 0.000 1.296 309 L HN 0.496 nan 8.230 nan 0.000 0.405 310 V N 5.979 126.010 119.914 0.195 0.000 2.531 310 V HA 0.543 4.700 4.120 0.061 0.000 0.301 310 V C -0.470 175.800 176.094 0.293 0.000 1.034 310 V CA -0.523 61.900 62.300 0.205 0.000 0.865 310 V CB 1.793 33.660 31.823 0.074 0.000 0.995 310 V HN 0.597 nan 8.190 nan 0.000 0.424 311 L N 4.736 126.179 121.223 0.365 0.000 2.341 311 L HA 0.628 5.005 4.340 0.061 0.000 0.278 311 L C -0.203 176.847 176.870 0.300 0.000 1.005 311 L CA -0.303 54.749 54.840 0.352 0.000 0.818 311 L CB 1.763 44.029 42.059 0.343 0.000 1.259 311 L HN 0.688 nan 8.230 nan 0.000 0.418 312 N N 2.835 121.682 118.700 0.245 0.000 2.480 312 N HA 0.151 4.928 4.740 0.061 0.000 0.289 312 N C -0.697 174.828 175.510 0.024 0.000 1.073 312 N CA -0.431 52.670 53.050 0.085 0.000 0.885 312 N CB 1.100 39.547 38.487 -0.068 0.000 1.421 312 N HN 0.684 nan 8.380 nan 0.000 0.503 313 N N 3.146 121.855 118.700 0.016 0.000 2.699 313 N HA -0.140 4.637 4.740 0.061 0.000 0.257 313 N C -1.547 173.955 175.510 -0.013 0.000 1.077 313 N CA 0.434 53.480 53.050 -0.006 0.000 0.702 313 N CB -0.878 37.592 38.487 -0.028 0.000 0.886 313 N HN 0.480 nan 8.380 nan 0.000 0.549 314 I N 1.508 122.062 120.570 -0.027 0.000 2.312 314 I HA 0.210 4.417 4.170 0.061 0.000 0.290 314 I C 0.613 176.645 176.117 -0.140 0.000 1.008 314 I CA -0.170 61.062 61.300 -0.113 0.000 1.226 314 I CB 1.271 39.163 38.000 -0.179 0.000 1.371 314 I HN 0.276 nan 8.210 nan 0.000 0.468 315 Q N 6.441 126.156 119.800 -0.142 0.000 2.331 315 Q HA 0.582 4.959 4.340 0.061 0.000 0.257 315 Q C -0.933 174.973 176.000 -0.157 0.000 0.957 315 Q CA -0.341 55.394 55.803 -0.114 0.000 0.923 315 Q CB 2.062 30.758 28.738 -0.069 0.000 1.212 315 Q HN 0.514 nan 8.270 nan 0.000 0.443 316 L N 2.020 123.156 121.223 -0.145 0.000 2.317 316 L HA 0.596 4.973 4.340 0.061 0.000 0.281 316 L C -0.224 176.596 176.870 -0.084 0.000 1.024 316 L CA -0.604 54.149 54.840 -0.146 0.000 0.810 316 L CB 1.915 43.885 42.059 -0.149 0.000 1.240 316 L HN 0.503 nan 8.230 nan 0.000 0.427 317 T N 2.003 116.516 114.554 -0.068 0.000 2.890 317 T HA 0.261 4.648 4.350 0.061 0.000 0.295 317 T C -0.261 174.419 174.700 -0.033 0.000 0.993 317 T CA -0.557 61.518 62.100 -0.042 0.000 0.979 317 T CB 0.735 69.584 68.868 -0.032 0.000 0.967 317 T HN 0.618 nan 8.240 nan 0.000 0.441 318 N N 1.364 120.048 118.700 -0.027 0.000 2.696 318 N HA -0.126 4.651 4.740 0.061 0.000 0.256 318 N C -0.755 174.744 175.510 -0.019 0.000 1.031 318 N CA 0.383 53.421 53.050 -0.019 0.000 0.730 318 N CB -1.040 37.439 38.487 -0.014 0.000 0.894 318 N HN 0.442 nan 8.380 nan 0.000 0.544 319 V N 0.647 120.546 119.914 -0.024 0.000 2.289 319 V HA 0.179 4.336 4.120 0.061 0.000 0.272 319 V C -1.388 174.699 176.094 -0.010 0.000 1.026 319 V CA -1.214 61.077 62.300 -0.015 0.000 0.807 319 V CB 1.962 33.769 31.823 -0.026 0.000 1.044 319 V HN -0.004 nan 8.190 nan 0.000 0.443 320 P HA -0.104 nan 4.420 nan 0.000 0.216 320 P C 0.409 177.705 177.300 -0.007 0.000 1.153 320 P CA 1.272 64.368 63.100 -0.007 0.000 0.858 320 P CB 0.284 31.981 31.700 -0.005 0.000 0.789 321 V N -0.659 119.254 119.914 -0.000 0.000 2.350 321 V HA 0.428 4.585 4.120 0.061 0.000 0.285 321 V C 1.116 177.216 176.094 0.010 0.000 1.014 321 V CA -0.210 62.088 62.300 -0.004 0.000 0.831 321 V CB 0.754 32.575 31.823 -0.004 0.000 1.000 321 V HN -0.000 nan 8.190 nan 0.000 0.433 322 A N 5.078 127.887 122.820 -0.018 0.000 1.855 322 A HA 0.143 4.500 4.320 0.061 0.000 0.215 322 A C 0.828 178.390 177.584 -0.037 0.000 1.191 322 A CA 1.248 53.294 52.037 0.015 0.000 0.613 322 A CB 0.110 19.049 19.000 -0.102 0.000 0.829 322 A HN 0.630 nan 8.150 nan 0.000 0.442 323 V N -0.894 118.925 119.914 -0.159 0.000 2.525 323 V HA 0.662 4.819 4.120 0.061 0.000 0.299 323 V C 0.169 176.239 176.094 -0.041 0.000 1.034 323 V CA -0.054 62.149 62.300 -0.162 0.000 0.863 323 V CB 1.166 32.794 31.823 -0.325 0.000 0.999 323 V HN 0.633 nan 8.190 nan 0.000 0.423 324 G N 2.630 111.434 108.800 0.007 0.000 2.680 324 G HA2 0.719 4.715 3.960 0.061 0.000 0.290 324 G HA3 0.719 4.715 3.960 0.061 0.000 0.290 324 G C -1.671 173.288 174.900 0.099 0.000 1.355 324 G CA -0.678 44.450 45.100 0.045 0.000 0.903 324 G HN 0.511 nan 8.290 nan 0.000 0.474 325 V N 0.597 120.567 119.914 0.093 0.000 2.513 325 V HA 0.406 4.563 4.120 0.061 0.000 0.299 325 V C 0.413 176.547 176.094 0.066 0.000 1.035 325 V CA -0.996 61.372 62.300 0.113 0.000 0.889 325 V CB 1.686 33.569 31.823 0.101 0.000 0.988 325 V HN 0.765 nan 8.190 nan 0.000 0.440 326 K N 3.105 123.543 120.400 0.063 0.000 2.436 326 K HA 0.284 4.641 4.320 0.061 0.000 0.282 326 K C 1.077 177.695 176.600 0.030 0.000 1.044 326 K CA 1.039 57.346 56.287 0.032 0.000 1.028 326 K CB -0.042 32.474 32.500 0.027 0.000 0.919 326 K HN 1.173 nan 8.250 nan 0.000 0.474 327 G N 2.751 111.561 108.800 0.018 0.000 2.249 327 G HA2 -0.235 3.762 3.960 0.061 0.000 0.273 327 G HA3 -0.235 3.762 3.960 0.061 0.000 0.273 327 G C 0.188 175.101 174.900 0.021 0.000 1.036 327 G CA 0.255 45.365 45.100 0.016 0.000 0.824 327 G HN 0.990 nan 8.290 nan 0.000 0.504 328 G N -0.967 107.849 108.800 0.027 0.000 2.782 328 G HA2 0.846 4.843 3.960 0.061 0.000 0.304 328 G HA3 0.846 4.843 3.960 0.061 0.000 0.304 328 G C -2.756 172.164 174.900 0.033 0.000 1.315 328 G CA -0.135 44.984 45.100 0.031 0.000 0.791 328 G HN 0.350 nan 8.290 nan 0.000 0.519 329 P HA 0.307 nan 4.420 nan 0.000 0.274 329 P C -0.191 177.136 177.300 0.045 0.000 1.237 329 P CA -0.005 63.118 63.100 0.039 0.000 0.793 329 P CB 0.682 32.407 31.700 0.042 0.000 0.977 330 T N 1.102 115.679 114.554 0.038 0.000 2.888 330 T HA 0.109 4.496 4.350 0.061 0.000 0.301 330 T C 1.542 176.276 174.700 0.057 0.000 1.001 330 T CA -0.240 61.881 62.100 0.036 0.000 1.147 330 T CB 0.415 69.296 68.868 0.021 0.000 0.931 330 T HN 0.091 nan 8.240 nan 0.000 0.541 331 V N 3.194 123.149 119.914 0.068 0.000 2.581 331 V HA 0.237 4.394 4.120 0.061 0.000 0.240 331 V C 0.418 176.579 176.094 0.112 0.000 1.054 331 V CA 0.468 62.843 62.300 0.125 0.000 1.076 331 V CB -0.042 31.899 31.823 0.197 0.000 0.748 331 V HN 0.599 nan 8.190 nan 0.000 0.474 332 L N 0.809 122.011 121.223 -0.035 0.000 2.372 332 L HA 0.814 5.191 4.340 0.061 0.000 0.274 332 L C 0.034 176.847 176.870 -0.095 0.000 0.988 332 L CA -0.631 54.138 54.840 -0.119 0.000 0.833 332 L CB 1.030 42.772 42.059 -0.528 0.000 1.236 332 L HN 0.096 nan 8.230 nan 0.000 0.410 333 A N 3.442 126.240 122.820 -0.037 0.000 2.498 333 A HA 0.569 4.925 4.320 0.061 0.000 0.239 333 A C 0.685 178.241 177.584 -0.047 0.000 1.068 333 A CA 0.531 52.551 52.037 -0.027 0.000 0.766 333 A CB 0.019 19.017 19.000 -0.003 0.000 1.003 333 A HN 0.981 nan 8.150 nan 0.000 0.497 334 G N 0.277 109.056 108.800 -0.036 0.000 3.365 334 G HA2 0.687 4.684 3.960 0.061 0.000 0.185 334 G HA3 0.687 4.684 3.960 0.061 0.000 0.185 334 G C 0.751 175.633 174.900 -0.029 0.000 1.565 334 G CA 0.226 45.303 45.100 -0.039 0.000 0.984 334 G HN 2.206 nan 8.290 nan 0.000 0.604 335 G N -1.868 106.916 108.800 -0.027 0.000 2.541 335 G HA2 0.140 4.136 3.960 0.061 0.000 0.208 335 G HA3 0.140 4.136 3.960 0.061 0.000 0.208 335 G C -0.387 174.495 174.900 -0.030 0.000 1.191 335 G CA 0.348 45.435 45.100 -0.023 0.000 1.217 335 G HN 1.279 nan 8.290 nan 0.000 0.566 336 T N 0.961 115.499 114.554 -0.027 0.000 2.864 336 T HA 0.728 5.115 4.350 0.061 0.000 0.299 336 T C -0.485 174.197 174.700 -0.030 0.000 1.011 336 T CA 0.655 62.737 62.100 -0.031 0.000 0.975 336 T CB 1.482 70.336 68.868 -0.023 0.000 0.962 336 T HN 1.214 nan 8.240 nan 0.000 0.448 337 T N 1.598 116.128 114.554 -0.040 0.000 2.722 337 T HA 0.500 4.887 4.350 0.061 0.000 0.314 337 T C -1.528 173.145 174.700 -0.045 0.000 1.675 337 T CA -0.403 61.677 62.100 -0.034 0.000 1.003 337 T CB 1.634 70.486 68.868 -0.028 0.000 1.602 337 T HN 0.409 nan 8.240 nan 0.000 0.496 338 T N 2.525 117.061 114.554 -0.031 0.000 2.786 338 T HA 0.587 4.974 4.350 0.061 0.000 0.283 338 T C -0.191 174.500 174.700 -0.015 0.000 0.992 338 T CA -0.367 61.713 62.100 -0.033 0.000 0.954 338 T CB 0.329 69.184 68.868 -0.021 0.000 0.934 338 T HN 0.457 nan 8.240 nan 0.000 0.440 339 I N 4.139 124.696 120.570 -0.022 0.000 2.337 339 I HA 0.182 4.389 4.170 0.061 0.000 0.291 339 I C 1.585 177.730 176.117 0.047 0.000 1.046 339 I CA -0.487 60.825 61.300 0.020 0.000 1.324 339 I CB 0.700 38.705 38.000 0.009 0.000 1.409 339 I HN 0.611 nan 8.210 nan 0.000 0.494 340 N N 3.843 122.583 118.700 0.066 0.000 2.131 340 N HA -0.005 4.772 4.740 0.061 0.000 0.190 340 N C -0.033 175.525 175.510 0.080 0.000 1.055 340 N CA 0.993 54.077 53.050 0.057 0.000 0.853 340 N CB 0.435 38.953 38.487 0.051 0.000 1.035 340 N HN 0.546 nan 8.380 nan 0.000 0.440 341 S N -0.666 115.103 115.700 0.115 0.000 2.672 341 S HA 0.402 4.908 4.470 0.061 0.000 0.291 341 S C -1.785 172.947 174.600 0.219 0.000 1.145 341 S CA -0.619 57.658 58.200 0.129 0.000 1.013 341 S CB 1.748 64.981 63.200 0.056 0.000 1.017 341 S HN 0.459 nan 8.310 nan 0.000 0.487 342 W N 2.625 123.955 121.300 0.049 0.000 3.127 342 W HA 0.737 5.432 4.660 0.059 0.000 0.330 342 W C -1.368 175.184 176.519 0.055 0.000 1.187 342 W CA -0.281 57.093 57.345 0.048 0.000 1.198 342 W CB 1.352 30.848 29.460 0.059 0.000 1.408 342 W HN 0.788 nan 8.180 nan 0.000 0.529 343 A N 3.610 126.101 122.820 -0.549 0.000 2.515 343 A HA 0.626 4.983 4.320 0.061 0.000 0.298 343 A C -1.810 175.219 177.584 -0.926 0.000 1.059 343 A CA -0.742 51.040 52.037 -0.426 0.000 0.698 343 A CB 2.122 20.999 19.000 -0.204 0.000 1.289 343 A HN 0.609 nan 8.150 nan 0.000 0.404 344 Q N 1.235 120.784 119.800 -0.419 0.000 2.325 344 Q HA 0.590 4.967 4.340 0.061 0.000 0.270 344 Q C -0.096 175.763 176.000 -0.236 0.000 1.020 344 Q CA 0.180 55.744 55.803 -0.398 0.000 0.785 344 Q CB 1.551 30.265 28.738 -0.040 0.000 1.259 344 Q HN 2.241 nan 8.270 nan 0.000 0.452 345 G N 2.730 111.285 108.800 -0.408 0.000 2.325 345 G HA2 -0.101 3.896 3.960 0.061 0.000 0.285 345 G HA3 -0.101 3.896 3.960 0.061 0.000 0.285 345 G C -1.552 173.275 174.900 -0.121 0.000 1.303 345 G CA -1.077 43.973 45.100 -0.083 0.000 0.970 345 G HN 0.686 nan 8.290 nan 0.000 0.490 346 N N -0.461 118.276 118.700 0.062 0.000 2.422 346 N HA 0.486 5.263 4.740 0.061 0.000 0.264 346 N C -0.435 175.006 175.510 -0.116 0.000 1.063 346 N CA -0.429 52.607 53.050 -0.023 0.000 0.959 346 N CB 2.179 40.718 38.487 0.088 0.000 1.087 346 N HN 0.387 nan 8.380 nan 0.000 0.483 347 V N 3.282 123.017 119.914 -0.299 0.000 2.483 347 V HA 0.396 4.553 4.120 0.061 0.000 0.295 347 V C -0.778 175.022 176.094 -0.489 0.000 1.035 347 V CA -0.504 61.636 62.300 -0.266 0.000 0.896 347 V CB 0.500 32.195 31.823 -0.213 0.000 0.986 347 V HN 0.558 nan 8.190 nan 0.000 0.447 348 Y N 2.637 122.758 120.300 -0.300 0.000 2.570 348 Y HA 0.671 5.258 4.550 0.061 0.000 0.345 348 Y C 0.142 175.644 175.900 -0.664 0.000 1.014 348 Y CA -0.843 57.111 58.100 -0.243 0.000 1.063 348 Y CB 2.133 40.612 38.460 0.032 0.000 1.272 348 Y HN 0.576 nan 8.280 nan 0.000 0.477 349 H N 0.397 119.480 119.070 0.022 0.000 2.759 349 H HA 0.418 5.012 4.556 0.063 0.000 0.354 349 H C 0.520 175.821 175.328 -0.046 0.000 1.074 349 H CA -0.411 55.496 56.048 -0.235 0.000 1.226 349 H CB 1.770 31.442 29.762 -0.150 0.000 1.648 349 H HN 0.870 nan 8.280 nan 0.000 0.529 350 G N 1.884 110.659 108.800 -0.042 0.000 2.651 350 G HA2 -0.422 3.575 3.960 0.061 0.000 0.315 350 G HA3 -0.422 3.575 3.960 0.061 0.000 0.315 350 G C 1.014 176.245 174.900 0.552 0.000 1.258 350 G CA 1.284 46.578 45.100 0.323 0.000 1.002 350 G HN 0.787 nan 8.290 nan 0.000 0.551 351 T N -1.464 113.293 114.554 0.338 0.000 3.186 351 T HA 0.325 4.712 4.350 0.061 0.000 0.257 351 T C 0.678 175.524 174.700 0.244 0.000 1.029 351 T CA 0.748 63.017 62.100 0.282 0.000 0.916 351 T CB 0.043 69.015 68.868 0.172 0.000 1.041 351 T HN 0.706 nan 8.240 nan 0.000 0.562 352 N N 1.888 120.751 118.700 0.271 0.000 2.402 352 N HA 0.277 5.054 4.740 0.061 0.000 0.259 352 N C 1.302 177.018 175.510 0.344 0.000 1.167 352 N CA -0.208 52.993 53.050 0.252 0.000 0.949 352 N CB 0.671 39.290 38.487 0.220 0.000 1.212 352 N HN 0.342 nan 8.380 nan 0.000 0.493 353 G N 2.541 111.520 108.800 0.299 0.000 2.848 353 G HA2 -0.115 3.882 3.960 0.061 0.000 0.208 353 G HA3 -0.115 3.882 3.960 0.061 0.000 0.208 353 G C 0.196 175.352 174.900 0.425 0.000 1.152 353 G CA -0.094 45.217 45.100 0.351 0.000 0.789 353 G HN 0.488 nan 8.290 nan 0.000 0.531 354 N N 1.605 120.496 118.700 0.317 0.000 2.426 354 N HA 0.351 5.128 4.740 0.061 0.000 0.275 354 N C -2.542 173.003 175.510 0.059 0.000 1.019 354 N CA -1.685 51.488 53.050 0.206 0.000 0.941 354 N CB 1.885 40.444 38.487 0.120 0.000 1.123 354 N HN 0.047 nan 8.380 nan 0.000 0.486 355 P HA 0.129 nan 4.420 nan 0.000 0.274 355 P C -0.670 176.477 177.300 -0.255 0.000 1.231 355 P CA -0.206 62.591 63.100 -0.504 0.000 0.790 355 P CB 0.637 32.196 31.700 -0.235 0.000 0.951 356 T N 3.200 117.569 114.554 -0.308 0.000 2.874 356 T HA 0.246 4.633 4.350 0.061 0.000 0.321 356 T C -0.254 174.383 174.700 -0.106 0.000 1.075 356 T CA -0.194 61.830 62.100 -0.127 0.000 0.966 356 T CB -0.639 68.180 68.868 -0.083 0.000 1.001 356 T HN 0.198 nan 8.240 nan 0.000 0.476 357 F N 3.854 123.722 119.950 -0.137 0.000 2.543 357 F HA 0.341 4.904 4.527 0.061 0.000 0.375 357 F C 0.372 176.097 175.800 -0.126 0.000 1.075 357 F CA 0.210 58.138 58.000 -0.119 0.000 1.225 357 F CB 0.344 39.296 39.000 -0.080 0.000 1.099 357 F HN 0.333 nan 8.300 nan 0.000 0.561 358 T N 6.496 120.452 114.554 -0.998 0.000 2.861 358 T HA 0.366 4.753 4.350 0.061 0.000 0.287 358 T C -0.936 173.165 174.700 -0.998 0.000 1.003 358 T CA -0.671 60.979 62.100 -0.750 0.000 0.977 358 T CB 1.563 70.135 68.868 -0.494 0.000 0.996 358 T HN 0.554 nan 8.240 nan 0.000 0.448 359 Q N 1.455 120.831 119.800 -0.706 0.000 3.021 359 Q HA 0.579 4.956 4.340 0.061 0.000 0.234 359 Q C -0.207 175.474 176.000 -0.531 0.000 0.930 359 Q CA -0.721 54.691 55.803 -0.653 0.000 0.714 359 Q CB 1.654 30.257 28.738 -0.224 0.000 1.325 359 Q HN 1.007 nan 8.270 nan 0.000 0.473 360 G N 1.038 109.188 108.800 -1.083 0.000 2.320 360 G HA2 0.089 4.086 3.960 0.061 0.000 0.296 360 G HA3 0.089 4.086 3.960 0.061 0.000 0.296 360 G C -1.396 173.029 174.900 -0.792 0.000 1.306 360 G CA -0.995 43.740 45.100 -0.608 0.000 0.836 360 G HN 0.271 nan 8.290 nan 0.000 0.517 361 N N 0.151 118.744 118.700 -0.178 0.000 2.454 361 N HA 0.369 5.146 4.740 0.061 0.000 0.254 361 N C 0.522 175.973 175.510 -0.098 0.000 1.228 361 N CA 0.419 53.453 53.050 -0.027 0.000 0.900 361 N CB 0.804 39.349 38.487 0.096 0.000 1.089 361 N HN 0.728 nan 8.380 nan 0.000 0.449 362 I N -2.096 118.451 120.570 -0.038 0.000 3.133 362 I HA 0.701 4.908 4.170 0.061 0.000 0.311 362 I C 0.227 176.372 176.117 0.048 0.000 1.072 362 I CA -1.530 59.768 61.300 -0.002 0.000 1.015 362 I CB 1.336 39.346 38.000 0.017 0.000 1.233 362 I HN 0.319 nan 8.210 nan 0.000 0.473 363 A N 2.419 125.282 122.820 0.071 0.000 2.531 363 A HA 0.118 4.475 4.320 0.061 0.000 0.236 363 A C 0.012 177.643 177.584 0.079 0.000 1.062 363 A CA -0.090 51.991 52.037 0.073 0.000 0.760 363 A CB -0.611 18.439 19.000 0.084 0.000 0.995 363 A HN 0.753 nan 8.150 nan 0.000 0.501 364 N N 0.988 119.725 118.700 0.061 0.000 2.359 364 N HA 0.020 4.797 4.740 0.061 0.000 0.261 364 N C -0.070 175.476 175.510 0.060 0.000 1.267 364 N CA 0.534 53.615 53.050 0.051 0.000 0.864 364 N CB 0.016 38.528 38.487 0.042 0.000 1.063 364 N HN 0.555 nan 8.380 nan 0.000 0.474 365 I N 1.823 122.407 120.570 0.024 0.000 2.598 365 I HA -0.097 4.110 4.170 0.061 0.000 0.284 365 I C 0.971 177.119 176.117 0.052 0.000 1.140 365 I CA -0.127 61.184 61.300 0.017 0.000 1.420 365 I CB 0.106 38.004 38.000 -0.171 0.000 1.387 365 I HN 0.397 nan 8.210 nan 0.000 0.553 366 N N 6.252 125.016 118.700 0.107 0.000 2.470 366 N HA 0.169 4.945 4.740 0.061 0.000 0.268 366 N C -0.797 174.764 175.510 0.084 0.000 1.136 366 N CA -0.096 53.007 53.050 0.088 0.000 0.961 366 N CB 0.476 39.021 38.487 0.097 0.000 1.067 366 N HN 0.378 nan 8.380 nan 0.000 0.468 367 R N 3.835 124.369 120.500 0.057 0.000 2.352 367 R HA 0.347 4.724 4.340 0.061 0.000 0.304 367 R C -2.353 173.978 176.300 0.051 0.000 1.104 367 R CA -1.572 54.558 56.100 0.051 0.000 0.991 367 R CB 1.248 31.556 30.300 0.015 0.000 1.140 367 R HN 0.516 nan 8.270 nan 0.000 0.540 368 P HA -0.064 nan 4.420 nan 0.000 0.260 368 P C 0.969 178.295 177.300 0.043 0.000 1.172 368 P CA 0.402 63.529 63.100 0.045 0.000 0.760 368 P CB 0.931 32.646 31.700 0.024 0.000 0.773 369 G N 2.842 111.671 108.800 0.049 0.000 2.469 369 G HA2 -0.282 3.715 3.960 0.061 0.000 0.220 369 G HA3 -0.282 3.715 3.960 0.061 0.000 0.220 369 G C 1.310 176.254 174.900 0.074 0.000 1.136 369 G CA 1.131 46.265 45.100 0.058 0.000 0.759 369 G HN 0.516 nan 8.290 nan 0.000 0.562 370 V N -1.207 118.740 119.914 0.055 0.000 2.867 370 V HA 0.098 4.255 4.120 0.061 0.000 0.260 370 V C 2.370 178.520 176.094 0.093 0.000 1.099 370 V CA 1.297 63.635 62.300 0.063 0.000 1.122 370 V CB -0.403 31.428 31.823 0.014 0.000 0.708 370 V HN 0.324 nan 8.190 nan 0.000 0.490 371 L N -0.230 121.035 121.223 0.069 0.000 2.591 371 L HA 0.362 4.739 4.340 0.061 0.000 0.228 371 L C 0.616 177.749 176.870 0.439 0.000 1.133 371 L CA 0.220 55.181 54.840 0.202 0.000 0.880 371 L CB -0.071 41.994 42.059 0.011 0.000 1.033 371 L HN 0.275 nan 8.230 nan 0.000 0.450 372 L N -0.141 121.231 121.223 0.247 0.000 2.331 372 L HA 0.345 4.721 4.340 0.061 0.000 0.275 372 L C -0.305 176.648 176.870 0.139 0.000 1.022 372 L CA -1.053 53.883 54.840 0.158 0.000 0.812 372 L CB 1.453 43.563 42.059 0.085 0.000 1.257 372 L HN 0.022 nan 8.230 nan 0.000 0.435 373 D N -0.212 120.237 120.400 0.081 0.000 2.447 373 D HA 0.057 4.734 4.640 0.061 0.000 0.265 373 D C 1.115 177.440 176.300 0.043 0.000 1.250 373 D CA -0.226 53.804 54.000 0.051 0.000 1.046 373 D CB 0.491 41.296 40.800 0.008 0.000 1.095 373 D HN 0.503 nan 8.370 nan 0.000 0.555 374 S N -1.831 113.888 115.700 0.031 0.000 2.442 374 S HA -0.196 4.311 4.470 0.061 0.000 0.236 374 S C 1.674 176.287 174.600 0.022 0.000 1.007 374 S CA 1.360 59.577 58.200 0.028 0.000 0.965 374 S CB -1.358 61.855 63.200 0.022 0.000 0.773 374 S HN 0.738 nan 8.310 nan 0.000 0.504 375 T N -2.634 111.930 114.554 0.017 0.000 3.129 375 T HA 0.471 4.857 4.350 0.061 0.000 0.251 375 T C 1.453 176.161 174.700 0.013 0.000 1.117 375 T CA 0.522 62.630 62.100 0.013 0.000 1.034 375 T CB -0.442 68.431 68.868 0.008 0.000 0.968 375 T HN 1.219 nan 8.240 nan 0.000 0.526 376 G N 1.405 110.217 108.800 0.019 0.000 2.147 376 G HA2 -0.239 3.758 3.960 0.061 0.000 0.244 376 G HA3 -0.239 3.758 3.960 0.061 0.000 0.244 376 G C -0.004 174.901 174.900 0.008 0.000 1.005 376 G CA -0.073 45.038 45.100 0.019 0.000 0.713 376 G HN 0.703 nan 8.290 nan 0.000 0.515 377 R N -0.634 119.869 120.500 0.006 0.000 2.732 377 R HA 0.593 4.970 4.340 0.061 0.000 0.278 377 R C 0.790 177.081 176.300 -0.016 0.000 0.976 377 R CA -1.253 54.839 56.100 -0.014 0.000 0.963 377 R CB 1.076 31.370 30.300 -0.010 0.000 1.150 377 R HN 0.112 nan 8.270 nan 0.000 0.478 378 I N 2.420 122.946 120.570 -0.074 0.000 2.826 378 I HA -0.085 4.122 4.170 0.061 0.000 0.295 378 I C 0.737 176.820 176.117 -0.056 0.000 1.213 378 I CA 0.406 61.647 61.300 -0.098 0.000 1.436 378 I CB -0.060 37.704 38.000 -0.393 0.000 1.348 378 I HN 0.334 nan 8.210 nan 0.000 0.570 379 V N 6.105 125.992 119.914 -0.044 0.000 2.644 379 V HA -0.068 4.089 4.120 0.061 0.000 0.305 379 V C 0.821 176.841 176.094 -0.124 0.000 1.053 379 V CA 0.406 62.576 62.300 -0.217 0.000 1.186 379 V CB 0.834 32.271 31.823 -0.643 0.000 0.895 379 V HN 0.878 nan 8.190 nan 0.000 0.490 380 S N 5.722 121.373 115.700 -0.082 0.000 2.640 380 S HA 0.545 5.052 4.470 0.061 0.000 0.320 380 S C -0.674 173.884 174.600 -0.069 0.000 1.097 380 S CA -0.819 57.404 58.200 0.038 0.000 1.092 380 S CB 0.424 63.667 63.200 0.071 0.000 0.988 380 S HN 0.800 nan 8.310 nan 0.000 0.470 381 K N 3.320 123.656 120.400 -0.107 0.000 2.507 381 K HA 0.430 4.787 4.320 0.061 0.000 0.252 381 K C -0.552 176.106 176.600 0.095 0.000 0.943 381 K CA -0.440 55.733 56.287 -0.190 0.000 0.808 381 K CB 1.691 33.872 32.500 -0.532 0.000 1.142 381 K HN 0.555 nan 8.250 nan 0.000 0.426 382 S N 2.074 117.768 115.700 -0.010 0.000 2.603 382 S HA 0.022 4.529 4.470 0.061 0.000 0.268 382 S C -0.293 174.015 174.600 -0.486 0.000 1.317 382 S CA -0.240 57.951 58.200 -0.014 0.000 1.012 382 S CB 0.203 63.404 63.200 0.001 0.000 0.926 382 S HN 0.745 nan 8.310 nan 0.000 0.539 383 H N 3.332 122.035 119.070 -0.612 0.000 3.237 383 H HA 0.047 4.633 4.556 0.050 0.000 0.263 383 H C -2.270 172.659 175.328 -0.665 0.000 0.854 383 H CA -0.791 54.772 56.048 -0.808 0.000 1.416 383 H CB 0.138 29.823 29.762 -0.128 0.000 1.432 383 H HN 0.271 nan 8.280 nan 0.000 0.529 384 P HA -0.015 nan 4.420 nan 0.000 0.267 384 P C -0.301 176.719 177.300 -0.467 0.000 1.209 384 P CA 0.320 62.998 63.100 -0.702 0.000 0.763 384 P CB 0.802 31.958 31.700 -0.906 0.000 0.816 385 Q N 1.574 121.201 119.800 -0.288 0.000 2.217 385 Q HA 0.100 4.477 4.340 0.061 0.000 0.217 385 Q C -0.435 175.875 176.000 0.516 0.000 0.844 385 Q CA -0.261 55.675 55.803 0.222 0.000 0.957 385 Q CB 0.118 29.016 28.738 0.267 0.000 1.127 385 Q HN 0.433 nan 8.270 nan 0.000 0.503 386 Y N 0.319 120.825 120.300 0.344 0.000 3.168 386 Y HA -0.281 4.306 4.550 0.062 0.000 0.207 386 Y C 1.560 177.886 175.900 0.709 0.000 1.280 386 Y CA 0.992 59.244 58.100 0.254 0.000 1.235 386 Y CB -2.815 35.448 38.460 -0.328 0.000 1.370 386 Y HN 0.265 nan 8.280 nan 0.000 0.537 387 T N -4.653 110.312 114.554 0.686 0.000 2.881 387 T HA -0.068 4.319 4.350 0.061 0.000 0.270 387 T C 1.950 177.009 174.700 0.598 0.000 1.068 387 T CA 1.180 63.692 62.100 0.687 0.000 1.131 387 T CB -0.298 68.763 68.868 0.321 0.000 0.871 387 T HN 0.693 nan 8.240 nan 0.000 0.479 388 G N -0.601 108.512 108.800 0.522 0.000 3.141 388 G HA2 0.289 4.286 3.960 0.061 0.000 0.218 388 G HA3 0.289 4.286 3.960 0.061 0.000 0.218 388 G C -0.236 174.814 174.900 0.249 0.000 1.170 388 G CA -0.573 44.720 45.100 0.322 0.000 0.769 388 G HN 0.565 nan 8.290 nan 0.000 0.546 389 Y N 0.365 120.834 120.300 0.281 0.000 2.334 389 Y HA 0.547 5.135 4.550 0.065 0.000 0.328 389 Y C 0.723 176.760 175.900 0.229 0.000 1.130 389 Y CA -0.872 57.324 58.100 0.161 0.000 1.163 389 Y CB 1.561 40.025 38.460 0.006 0.000 1.207 389 Y HN 0.109 nan 8.280 nan 0.000 0.471 390 A N 4.067 127.035 122.820 0.247 0.000 2.279 390 A HA 0.397 4.753 4.320 0.061 0.000 0.303 390 A C -1.881 175.839 177.584 0.227 0.000 1.108 390 A CA -1.746 50.407 52.037 0.194 0.000 0.830 390 A CB 0.396 19.443 19.000 0.079 0.000 1.106 390 A HN 0.605 nan 8.150 nan 0.000 0.493 391 P HA -0.207 nan 4.420 nan 0.000 0.217 391 P C 1.535 178.865 177.300 0.049 0.000 1.148 391 P CA 2.220 65.310 63.100 -0.017 0.000 0.834 391 P CB 0.052 31.677 31.700 -0.124 0.000 0.783 392 S N -1.871 113.847 115.700 0.029 0.000 2.507 392 S HA -0.104 4.403 4.470 0.061 0.000 0.235 392 S C 1.415 176.005 174.600 -0.016 0.000 0.988 392 S CA 0.937 59.132 58.200 -0.009 0.000 0.944 392 S CB -0.905 62.281 63.200 -0.023 0.000 0.762 392 S HN 0.113 nan 8.310 nan 0.000 0.526 393 D N 0.531 120.941 120.400 0.017 0.000 2.355 393 D HA 0.231 4.908 4.640 0.061 0.000 0.218 393 D C -0.325 175.772 176.300 -0.339 0.000 1.004 393 D CA 0.312 54.239 54.000 -0.121 0.000 0.880 393 D CB -0.047 40.708 40.800 -0.076 0.000 0.911 393 D HN 0.432 nan 8.370 nan 0.000 0.528 394 F N -0.154 119.626 119.950 -0.284 0.000 2.470 394 F HA 0.374 4.937 4.527 0.059 0.000 0.329 394 F C 0.285 175.895 175.800 -0.317 0.000 1.072 394 F CA -1.135 56.655 58.000 -0.351 0.000 0.989 394 F CB 2.023 40.737 39.000 -0.477 0.000 1.193 394 F HN -0.397 nan 8.300 nan 0.000 0.481 395 V N 2.140 121.950 119.914 -0.174 0.000 2.487 395 V HA 0.469 4.626 4.120 0.061 0.000 0.298 395 V C -0.607 175.362 176.094 -0.208 0.000 1.028 395 V CA -0.457 61.644 62.300 -0.332 0.000 0.860 395 V CB 1.756 33.101 31.823 -0.796 0.000 0.991 395 V HN 0.767 nan 8.190 nan 0.000 0.427 396 S N 4.745 120.349 115.700 -0.159 0.000 2.499 396 S HA 0.215 4.722 4.470 0.061 0.000 0.275 396 S C 1.205 175.678 174.600 -0.212 0.000 1.257 396 S CA -0.043 58.116 58.200 -0.068 0.000 1.050 396 S CB 1.340 64.543 63.200 0.004 0.000 0.937 396 S HN 1.534 nan 8.310 nan 0.000 0.490 397 V N 4.421 124.137 119.914 -0.330 0.000 2.490 397 V HA -0.035 4.121 4.120 0.061 0.000 0.250 397 V C 2.411 178.398 176.094 -0.178 0.000 1.061 397 V CA 1.872 63.915 62.300 -0.428 0.000 1.064 397 V CB -1.055 30.239 31.823 -0.882 0.000 0.670 397 V HN 0.847 nan 8.190 nan 0.000 0.461 398 R N 1.453 121.914 120.500 -0.066 0.000 2.073 398 R HA -0.072 4.304 4.340 0.061 0.000 0.234 398 R C 2.439 178.728 176.300 -0.018 0.000 1.134 398 R CA 2.109 58.217 56.100 0.014 0.000 0.952 398 R CB -1.062 29.268 30.300 0.051 0.000 0.850 398 R HN 0.585 nan 8.270 nan 0.000 0.433 399 S N 0.401 116.074 115.700 -0.046 0.000 2.442 399 S HA -0.079 4.428 4.470 0.061 0.000 0.236 399 S C 1.040 175.606 174.600 -0.057 0.000 1.007 399 S CA 0.950 59.118 58.200 -0.053 0.000 0.965 399 S CB -0.071 63.082 63.200 -0.077 0.000 0.773 399 S HN 0.358 nan 8.310 nan 0.000 0.504 400 Q N -0.233 119.518 119.800 -0.082 0.000 2.222 400 Q HA 0.294 4.671 4.340 0.061 0.000 0.206 400 Q C 1.171 177.151 176.000 -0.033 0.000 0.877 400 Q CA 0.401 56.169 55.803 -0.059 0.000 0.958 400 Q CB 0.456 29.137 28.738 -0.094 0.000 1.075 400 Q HN 0.588 nan 8.270 nan 0.000 0.483 401 G N 0.597 109.386 108.800 -0.017 0.000 2.157 401 G HA2 -0.258 3.739 3.960 0.061 0.000 0.239 401 G HA3 -0.258 3.739 3.960 0.061 0.000 0.239 401 G C 0.254 175.176 174.900 0.036 0.000 0.982 401 G CA 0.033 45.140 45.100 0.011 0.000 0.650 401 G HN 0.513 nan 8.290 nan 0.000 0.527 402 A N 0.286 123.131 122.820 0.041 0.000 2.302 402 A HA 0.693 5.050 4.320 0.061 0.000 0.295 402 A C 1.405 179.108 177.584 0.199 0.000 1.235 402 A CA 0.286 52.409 52.037 0.144 0.000 0.876 402 A CB 0.511 19.586 19.000 0.125 0.000 1.133 402 A HN 0.125 nan 8.150 nan 0.000 0.533 403 K N 2.428 122.909 120.400 0.136 0.000 2.103 403 K HA 0.014 4.370 4.320 0.061 0.000 0.204 403 K C 1.414 177.956 176.600 -0.096 0.000 1.052 403 K CA 1.022 57.332 56.287 0.039 0.000 0.945 403 K CB -0.421 32.098 32.500 0.031 0.000 0.722 403 K HN 1.616 nan 8.250 nan 0.000 0.443 404 G N 3.417 112.020 108.800 -0.328 0.000 2.225 404 G HA2 -0.270 3.727 3.960 0.061 0.000 0.267 404 G HA3 -0.270 3.727 3.960 0.061 0.000 0.267 404 G C 0.166 174.765 174.900 -0.502 0.000 1.024 404 G CA 0.922 45.446 45.100 -0.960 0.000 0.784 404 G HN 0.499 nan 8.290 nan 0.000 0.507 405 D N -1.353 118.890 120.400 -0.263 0.000 2.349 405 D HA 0.375 5.052 4.640 0.061 0.000 0.214 405 D C 1.804 177.988 176.300 -0.194 0.000 1.063 405 D CA 0.473 54.384 54.000 -0.149 0.000 0.847 405 D CB -0.428 40.385 40.800 0.022 0.000 0.933 405 D HN 1.434 nan 8.370 nan 0.000 0.513 406 G N -0.108 108.511 108.800 -0.301 0.000 2.148 406 G HA2 -0.358 3.639 3.960 0.061 0.000 0.254 406 G HA3 -0.358 3.639 3.960 0.061 0.000 0.254 406 G C 0.554 175.216 174.900 -0.396 0.000 0.981 406 G CA 0.938 45.844 45.100 -0.323 0.000 0.670 406 G HN 0.579 nan 8.290 nan 0.000 0.528 407 H N -1.475 117.657 119.070 0.103 0.000 2.006 407 H HA 0.217 4.811 4.556 0.063 0.000 0.189 407 H C 1.225 176.603 175.328 0.083 0.000 0.887 407 H CA 0.368 56.483 56.048 0.112 0.000 0.958 407 H CB 0.116 29.939 29.762 0.101 0.000 1.163 407 H HN 0.251 nan 8.280 nan 0.000 0.364 408 T N 2.571 117.230 114.554 0.175 0.000 2.928 408 T HA -0.045 4.342 4.350 0.061 0.000 0.305 408 T C 0.022 174.791 174.700 0.114 0.000 1.035 408 T CA 0.046 62.219 62.100 0.122 0.000 1.145 408 T CB 0.463 69.388 68.868 0.094 0.000 0.963 408 T HN 0.227 nan 8.240 nan 0.000 0.545 409 D N 2.373 122.839 120.400 0.110 0.000 2.342 409 D HA -0.007 4.670 4.640 0.061 0.000 0.260 409 D C 0.132 176.505 176.300 0.122 0.000 1.278 409 D CA -0.130 53.939 54.000 0.115 0.000 0.910 409 D CB 0.546 41.406 40.800 0.099 0.000 1.079 409 D HN 0.395 nan 8.370 nan 0.000 0.496 410 D N 2.576 123.070 120.400 0.156 0.000 2.340 410 D HA -0.017 4.660 4.640 0.061 0.000 0.217 410 D C 1.519 177.917 176.300 0.162 0.000 1.081 410 D CA 0.183 54.289 54.000 0.177 0.000 0.842 410 D CB 0.586 41.559 40.800 0.287 0.000 0.934 410 D HN 0.412 nan 8.370 nan 0.000 0.511 411 T N 0.631 115.275 114.554 0.150 0.000 2.635 411 T HA -0.247 4.140 4.350 0.061 0.000 0.267 411 T C 1.899 176.671 174.700 0.120 0.000 1.040 411 T CA 1.319 63.506 62.100 0.146 0.000 1.156 411 T CB -0.059 68.889 68.868 0.134 0.000 0.863 411 T HN 0.070 nan 8.240 nan 0.000 0.430 412 Q N 1.048 120.904 119.800 0.094 0.000 2.079 412 Q HA 0.097 4.474 4.340 0.061 0.000 0.200 412 Q C 2.346 178.383 176.000 0.061 0.000 0.974 412 Q CA 1.654 57.501 55.803 0.072 0.000 0.840 412 Q CB -0.774 27.997 28.738 0.056 0.000 0.898 412 Q HN 0.536 nan 8.270 nan 0.000 0.430 413 A N 0.015 122.870 122.820 0.058 0.000 1.902 413 A HA -0.158 4.199 4.320 0.061 0.000 0.217 413 A C 2.110 179.687 177.584 -0.011 0.000 1.181 413 A CA 1.536 53.590 52.037 0.027 0.000 0.623 413 A CB -0.719 18.302 19.000 0.035 0.000 0.818 413 A HN 0.458 nan 8.150 nan 0.000 0.443 414 I N -0.657 119.924 120.570 0.019 0.000 2.202 414 I HA -0.254 3.953 4.170 0.061 0.000 0.242 414 I C 2.485 178.633 176.117 0.052 0.000 1.091 414 I CA 1.481 62.770 61.300 -0.019 0.000 1.368 414 I CB -0.278 37.810 38.000 0.146 0.000 1.058 414 I HN 0.274 nan 8.210 nan 0.000 0.410 415 K N 0.645 121.135 120.400 0.150 0.000 2.044 415 K HA -0.203 4.154 4.320 0.061 0.000 0.210 415 K C 1.919 178.593 176.600 0.123 0.000 1.049 415 K CA 1.706 58.105 56.287 0.188 0.000 0.927 415 K CB -0.293 32.285 32.500 0.130 0.000 0.713 415 K HN 0.275 nan 8.250 nan 0.000 0.443 416 N N 0.576 119.308 118.700 0.055 0.000 2.166 416 N HA -0.127 4.650 4.740 0.061 0.000 0.186 416 N C 1.846 177.363 175.510 0.012 0.000 1.019 416 N CA 0.856 53.922 53.050 0.026 0.000 0.856 416 N CB -0.474 38.022 38.487 0.015 0.000 0.993 416 N HN -0.052 nan 8.380 nan 0.000 0.426 417 V N 0.825 120.715 119.914 -0.041 0.000 2.255 417 V HA -0.225 3.932 4.120 0.061 0.000 0.247 417 V C 1.895 177.964 176.094 -0.042 0.000 1.051 417 V CA 1.474 63.734 62.300 -0.067 0.000 1.018 417 V CB -0.666 30.934 31.823 -0.372 0.000 0.641 417 V HN 0.101 nan 8.190 nan 0.000 0.445 418 F N 0.781 120.768 119.950 0.063 0.000 2.134 418 F HA -0.101 4.462 4.527 0.060 0.000 0.299 418 F C 2.443 178.247 175.800 0.005 0.000 1.097 418 F CA 1.227 59.253 58.000 0.044 0.000 1.264 418 F CB -1.270 37.752 39.000 0.035 0.000 1.001 418 F HN 0.096 nan 8.300 nan 0.000 0.479 419 A N -0.263 122.652 122.820 0.159 0.000 1.933 419 A HA -0.193 4.164 4.320 0.061 0.000 0.218 419 A C 2.186 179.742 177.584 -0.047 0.000 1.175 419 A CA 1.734 53.801 52.037 0.050 0.000 0.628 419 A CB -0.541 18.476 19.000 0.029 0.000 0.814 419 A HN 0.370 nan 8.150 nan 0.000 0.444 420 K N -2.471 117.851 120.400 -0.130 0.000 2.166 420 K HA 0.060 4.417 4.320 0.061 0.000 0.201 420 K C 1.003 177.273 176.600 -0.549 0.000 1.052 420 K CA 1.196 57.233 56.287 -0.416 0.000 0.969 420 K CB -0.006 32.084 32.500 -0.683 0.000 0.761 420 K HN 0.604 nan 8.250 nan 0.000 0.459 421 Y N -0.244 120.040 120.300 -0.026 0.000 2.426 421 Y HA 0.368 4.955 4.550 0.061 0.000 0.249 421 Y C 0.313 176.208 175.900 -0.008 0.000 1.103 421 Y CA -0.873 57.202 58.100 -0.043 0.000 1.256 421 Y CB 0.429 38.832 38.460 -0.094 0.000 1.208 421 Y HN -0.154 nan 8.280 nan 0.000 0.519 422 A N 0.966 123.891 122.820 0.175 0.000 2.553 422 A HA 0.361 4.718 4.320 0.061 0.000 0.258 422 A C 1.692 179.322 177.584 0.077 0.000 1.069 422 A CA 1.256 53.394 52.037 0.168 0.000 0.767 422 A CB -1.038 18.073 19.000 0.185 0.000 0.997 422 A HN 1.024 nan 8.150 nan 0.000 0.512 423 G N 0.853 109.685 108.800 0.052 0.000 2.205 423 G HA2 -0.350 3.647 3.960 0.061 0.000 0.261 423 G HA3 -0.350 3.647 3.960 0.061 0.000 0.261 423 G C 0.939 175.844 174.900 0.009 0.000 0.980 423 G CA 0.695 45.808 45.100 0.021 0.000 0.632 423 G HN 1.099 nan 8.290 nan 0.000 0.533 424 c N -0.067 118.546 118.600 0.022 0.000 2.535 424 c HA 0.507 5.114 4.570 0.061 0.000 0.310 424 c C 0.861 174.948 174.090 -0.005 0.000 1.344 424 c CA 0.505 56.846 56.329 0.020 0.000 1.831 424 c CB 0.146 42.688 42.510 0.053 0.000 2.284 424 c HN 0.386 nan 8.230 nan 0.000 0.523 425 K N 0.663 121.055 120.400 -0.014 0.000 2.469 425 K HA 0.517 4.873 4.320 0.061 0.000 0.254 425 K C -1.015 175.431 176.600 -0.257 0.000 0.939 425 K CA -0.376 55.824 56.287 -0.146 0.000 0.812 425 K CB 1.733 34.150 32.500 -0.138 0.000 1.301 425 K HN 0.186 nan 8.250 nan 0.000 0.433 426 I N 3.039 123.291 120.570 -0.530 0.000 2.618 426 I HA 0.007 4.214 4.170 0.061 0.000 0.284 426 I C 0.454 176.370 176.117 -0.335 0.000 1.146 426 I CA -0.228 60.682 61.300 -0.650 0.000 1.425 426 I CB 0.245 37.376 38.000 -1.449 0.000 1.383 426 I HN 0.197 nan 8.210 nan 0.000 0.562 427 I N 7.330 127.817 120.570 -0.138 0.000 2.322 427 I HA 0.091 4.298 4.170 0.061 0.000 0.292 427 I C -0.207 175.964 176.117 0.089 0.000 1.060 427 I CA -0.064 61.195 61.300 -0.069 0.000 1.309 427 I CB -0.064 37.920 38.000 -0.026 0.000 1.415 427 I HN 0.360 nan 8.210 nan 0.000 0.492 428 F N 7.678 127.559 119.950 -0.116 0.000 2.334 428 F HA 0.405 4.969 4.527 0.061 0.000 0.367 428 F C -0.375 175.366 175.800 -0.098 0.000 1.115 428 F CA -0.990 57.010 58.000 0.001 0.000 1.116 428 F CB 0.449 39.455 39.000 0.011 0.000 1.230 428 F HN 0.204 nan 8.300 nan 0.000 0.484 429 F N 5.479 125.142 119.950 -0.477 0.000 2.509 429 F HA 0.140 4.707 4.527 0.067 0.000 0.350 429 F C 0.909 176.358 175.800 -0.586 0.000 1.220 429 F CA -0.442 57.280 58.000 -0.463 0.000 1.151 429 F CB -0.215 38.577 39.000 -0.347 0.000 1.379 429 F HN 0.399 nan 8.300 nan 0.000 0.610 430 D N 2.692 122.873 120.400 -0.365 0.000 2.515 430 D HA 0.028 4.705 4.640 0.061 0.000 0.232 430 D C 0.404 176.770 176.300 0.110 0.000 1.157 430 D CA 0.133 54.044 54.000 -0.147 0.000 0.871 430 D CB 0.929 41.781 40.800 0.087 0.000 1.200 430 D HN 0.502 nan 8.370 nan 0.000 0.466 431 A N 1.463 124.357 122.820 0.122 0.000 2.561 431 A HA 0.447 4.804 4.320 0.061 0.000 0.234 431 A C 0.867 178.531 177.584 0.132 0.000 1.055 431 A CA 0.826 52.969 52.037 0.177 0.000 0.756 431 A CB 0.195 19.328 19.000 0.221 0.000 0.986 431 A HN 0.772 nan 8.150 nan 0.000 0.505 432 G N -0.147 108.698 108.800 0.074 0.000 2.337 432 G HA2 0.479 4.475 3.960 0.061 0.000 0.298 432 G HA3 0.479 4.475 3.960 0.061 0.000 0.298 432 G C -0.888 173.844 174.900 -0.280 0.000 1.335 432 G CA -0.165 44.811 45.100 -0.208 0.000 0.875 432 G HN 1.004 nan 8.290 nan 0.000 0.579 433 T N 0.889 115.160 114.554 -0.471 0.000 2.786 433 T HA 0.572 4.959 4.350 0.061 0.000 0.283 433 T C -1.353 173.131 174.700 -0.359 0.000 0.992 433 T CA -0.055 61.868 62.100 -0.294 0.000 0.954 433 T CB 0.801 69.527 68.868 -0.238 0.000 0.934 433 T HN 0.381 nan 8.240 nan 0.000 0.440 434 Y N 3.445 123.761 120.300 0.027 0.000 2.402 434 Y HA 0.407 4.993 4.550 0.059 0.000 0.332 434 Y C 0.373 176.326 175.900 0.088 0.000 0.960 434 Y CA -1.322 56.825 58.100 0.077 0.000 1.228 434 Y CB 0.495 39.045 38.460 0.150 0.000 1.120 434 Y HN 0.422 nan 8.280 nan 0.000 0.491 435 I N 5.671 126.348 120.570 0.179 0.000 2.471 435 I HA 0.178 4.385 4.170 0.061 0.000 0.286 435 I C 0.171 176.401 176.117 0.187 0.000 1.079 435 I CA -0.394 61.002 61.300 0.160 0.000 1.398 435 I CB 0.302 38.376 38.000 0.123 0.000 1.403 435 I HN 0.332 nan 8.210 nan 0.000 0.530 436 V N 3.214 123.243 119.914 0.191 0.000 2.823 436 V HA 0.741 4.898 4.120 0.061 0.000 0.312 436 V C 0.387 176.645 176.094 0.274 0.000 1.072 436 V CA -0.492 61.936 62.300 0.212 0.000 0.937 436 V CB 1.670 33.618 31.823 0.208 0.000 1.013 436 V HN 0.808 nan 8.190 nan 0.000 0.430 437 T N -1.634 113.073 114.554 0.255 0.000 3.091 437 T HA 0.374 4.760 4.350 0.061 0.000 0.277 437 T C -0.088 174.689 174.700 0.128 0.000 0.996 437 T CA 0.270 62.512 62.100 0.237 0.000 0.897 437 T CB -0.104 68.833 68.868 0.114 0.000 1.109 437 T HN 0.805 nan 8.240 nan 0.000 0.534 438 D N 0.661 121.193 120.400 0.219 0.000 2.579 438 D HA 0.387 5.064 4.640 0.061 0.000 0.257 438 D C -0.853 175.636 176.300 0.314 0.000 1.176 438 D CA -0.317 53.768 54.000 0.142 0.000 0.914 438 D CB 2.120 42.958 40.800 0.063 0.000 1.431 438 D HN -0.075 nan 8.370 nan 0.000 0.454 439 T N 1.580 116.285 114.554 0.251 0.000 2.871 439 T HA 0.180 4.567 4.350 0.061 0.000 0.296 439 T C 0.250 175.017 174.700 0.112 0.000 0.998 439 T CA -0.032 62.190 62.100 0.203 0.000 1.162 439 T CB 0.002 68.947 68.868 0.129 0.000 0.947 439 T HN 0.148 nan 8.240 nan 0.000 0.536 440 I N 4.044 124.654 120.570 0.066 0.000 2.306 440 I HA 0.216 4.423 4.170 0.061 0.000 0.288 440 I C 0.513 176.565 176.117 -0.109 0.000 1.036 440 I CA -0.287 61.035 61.300 0.037 0.000 1.221 440 I CB 0.784 38.838 38.000 0.090 0.000 1.385 440 I HN 0.681 nan 8.210 nan 0.000 0.472 441 Q N 6.646 126.370 119.800 -0.126 0.000 2.322 441 Q HA 0.416 4.793 4.340 0.061 0.000 0.256 441 Q C -0.656 175.065 176.000 -0.463 0.000 0.960 441 Q CA -0.507 55.155 55.803 -0.234 0.000 0.934 441 Q CB 1.001 29.653 28.738 -0.144 0.000 1.200 441 Q HN 0.544 nan 8.270 nan 0.000 0.435 442 I N 7.939 128.140 120.570 -0.614 0.000 2.363 442 I HA 0.208 4.415 4.170 0.061 0.000 0.292 442 I C -2.052 173.774 176.117 -0.484 0.000 1.075 442 I CA -2.136 58.655 61.300 -0.849 0.000 1.333 442 I CB 0.749 38.319 38.000 -0.716 0.000 1.415 442 I HN 0.453 nan 8.210 nan 0.000 0.502 443 P HA 0.073 nan 4.420 nan 0.000 0.271 443 P C -0.348 176.858 177.300 -0.155 0.000 1.218 443 P CA -0.333 62.654 63.100 -0.189 0.000 0.780 443 P CB 0.628 32.273 31.700 -0.092 0.000 0.901 444 A N 2.510 125.258 122.820 -0.120 0.000 2.565 444 A HA 0.389 4.746 4.320 0.061 0.000 0.237 444 A C 1.536 179.099 177.584 -0.035 0.000 1.053 444 A CA 1.017 53.008 52.037 -0.077 0.000 0.755 444 A CB -1.456 17.517 19.000 -0.045 0.000 0.980 444 A HN 0.874 nan 8.150 nan 0.000 0.506 445 G N 1.609 110.404 108.800 -0.010 0.000 2.213 445 G HA2 -0.182 3.815 3.960 0.061 0.000 0.226 445 G HA3 -0.182 3.815 3.960 0.061 0.000 0.226 445 G C 0.430 175.343 174.900 0.020 0.000 0.992 445 G CA 0.334 45.444 45.100 0.015 0.000 0.632 445 G HN 1.231 nan 8.290 nan 0.000 0.511 446 T N 1.502 116.062 114.554 0.009 0.000 2.897 446 T HA 0.574 4.961 4.350 0.061 0.000 0.294 446 T C 0.044 174.775 174.700 0.051 0.000 1.004 446 T CA 0.225 62.352 62.100 0.044 0.000 1.106 446 T CB 1.592 70.498 68.868 0.064 0.000 0.949 446 T HN 0.392 nan 8.240 nan 0.000 0.520 447 Q N 2.003 121.818 119.800 0.026 0.000 2.330 447 Q HA 0.646 5.023 4.340 0.061 0.000 0.269 447 Q C -0.513 175.507 176.000 0.033 0.000 1.022 447 Q CA -0.624 55.185 55.803 0.010 0.000 0.796 447 Q CB 2.054 30.699 28.738 -0.154 0.000 1.271 447 Q HN 0.728 nan 8.270 nan 0.000 0.450 448 I N -0.882 119.781 120.570 0.154 0.000 2.569 448 I HA 0.816 5.023 4.170 0.061 0.000 0.296 448 I C -1.255 175.014 176.117 0.254 0.000 1.028 448 I CA -1.139 60.303 61.300 0.237 0.000 1.082 448 I CB 1.794 40.022 38.000 0.379 0.000 1.264 448 I HN 0.304 nan 8.210 nan 0.000 0.429 449 V N 5.452 125.547 119.914 0.301 0.000 2.577 449 V HA 0.701 4.858 4.120 0.061 0.000 0.303 449 V C 0.612 176.865 176.094 0.264 0.000 1.042 449 V CA -0.216 62.308 62.300 0.374 0.000 0.872 449 V CB 1.348 33.501 31.823 0.549 0.000 0.998 449 V HN 1.044 nan 8.190 nan 0.000 0.423 450 G N 2.289 111.209 108.800 0.201 0.000 2.568 450 G HA2 0.642 4.639 3.960 0.061 0.000 0.293 450 G HA3 0.642 4.639 3.960 0.061 0.000 0.293 450 G C -0.619 174.361 174.900 0.134 0.000 1.347 450 G CA -0.274 44.860 45.100 0.058 0.000 1.039 450 G HN 0.678 nan 8.290 nan 0.000 0.523 451 E N -0.659 119.604 120.200 0.104 0.000 2.923 451 E HA 0.364 4.751 4.350 0.061 0.000 0.266 451 E C 0.474 177.235 176.600 0.269 0.000 1.157 451 E CA -0.261 56.285 56.400 0.243 0.000 0.795 451 E CB 0.949 30.768 29.700 0.199 0.000 1.454 451 E HN 0.653 nan 8.360 nan 0.000 0.386 452 V N 4.406 124.500 119.914 0.299 0.000 0.497 452 V HA -0.276 3.881 4.120 0.061 0.000 0.092 452 V C -0.436 175.887 176.094 0.382 0.000 2.331 452 V CA 2.772 65.268 62.300 0.326 0.000 3.613 452 V CB -0.664 31.347 31.823 0.313 0.000 0.899 452 V HN 0.811 nan 8.190 nan 0.000 0.942 453 W N 1.970 123.316 121.300 0.076 0.000 2.330 453 W HA 0.681 5.370 4.660 0.049 0.000 0.286 453 W C -0.638 175.902 176.519 0.035 0.000 1.019 453 W CA 0.132 57.483 57.345 0.011 0.000 1.485 453 W CB 1.279 30.725 29.460 -0.023 0.000 1.457 453 W HN 0.371 nan 8.180 nan 0.000 0.359 454 S N 2.931 118.537 115.700 -0.156 0.000 2.594 454 S HA 0.491 4.998 4.470 0.061 0.000 0.322 454 S C -0.488 173.945 174.600 -0.278 0.000 1.085 454 S CA -0.397 57.762 58.200 -0.068 0.000 1.116 454 S CB 1.866 65.067 63.200 0.003 0.000 0.979 454 S HN 0.154 nan 8.310 nan 0.000 0.465 455 V N 4.956 124.767 119.914 -0.173 0.000 2.448 455 V HA 0.488 4.645 4.120 0.061 0.000 0.295 455 V C -0.299 175.824 176.094 0.049 0.000 1.025 455 V CA -0.664 61.488 62.300 -0.247 0.000 0.859 455 V CB 1.512 33.146 31.823 -0.315 0.000 0.988 455 V HN 0.780 nan 8.190 nan 0.000 0.431 456 I N 5.517 126.096 120.570 0.015 0.000 2.312 456 I HA 0.464 4.671 4.170 0.061 0.000 0.290 456 I C -0.110 176.085 176.117 0.129 0.000 1.008 456 I CA -0.078 61.313 61.300 0.152 0.000 1.226 456 I CB 1.260 39.368 38.000 0.179 0.000 1.371 456 I HN 0.576 nan 8.210 nan 0.000 0.468 457 M N 6.456 126.132 119.600 0.127 0.000 2.043 457 M HA 0.507 5.024 4.480 0.061 0.000 0.322 457 M C -0.196 176.148 176.300 0.073 0.000 0.962 457 M CA -0.383 54.971 55.300 0.090 0.000 0.927 457 M CB 1.121 33.791 32.600 0.116 0.000 1.466 457 M HN 0.640 nan 8.290 nan 0.000 0.412 458 G N 2.341 111.128 108.800 -0.022 0.000 2.395 458 G HA2 0.560 4.557 3.960 0.061 0.000 0.283 458 G HA3 0.560 4.557 3.960 0.061 0.000 0.283 458 G C -0.791 174.141 174.900 0.054 0.000 1.178 458 G CA -0.100 44.949 45.100 -0.086 0.000 0.837 458 G HN 0.655 nan 8.290 nan 0.000 0.518 459 T N -0.635 114.096 114.554 0.296 0.000 2.739 459 T HA 0.728 5.114 4.350 0.061 0.000 0.303 459 T C 0.169 175.076 174.700 0.345 0.000 1.389 459 T CA 1.277 63.555 62.100 0.297 0.000 1.001 459 T CB 0.994 69.963 68.868 0.168 0.000 1.436 459 T HN 2.401 nan 8.240 nan 0.000 0.500 460 G N 1.019 109.941 108.800 0.203 0.000 2.757 460 G HA2 -0.130 3.867 3.960 0.061 0.000 0.638 460 G HA3 -0.130 3.867 3.960 0.061 0.000 0.638 460 G C 0.970 175.883 174.900 0.022 0.000 1.344 460 G CA 0.583 45.739 45.100 0.095 0.000 0.855 460 G HN 1.890 nan 8.290 nan 0.000 0.537 461 S N -0.376 115.295 115.700 -0.048 0.000 2.440 461 S HA -0.159 4.348 4.470 0.061 0.000 0.238 461 S C 2.029 176.513 174.600 -0.194 0.000 1.010 461 S CA 2.091 60.235 58.200 -0.094 0.000 0.972 461 S CB -0.147 63.004 63.200 -0.082 0.000 0.774 461 S HN 1.114 nan 8.310 nan 0.000 0.501 462 K N 0.927 121.100 120.400 -0.379 0.000 2.209 462 K HA 0.060 4.417 4.320 0.061 0.000 0.204 462 K C 0.392 176.598 176.600 -0.657 0.000 1.048 462 K CA 1.149 57.041 56.287 -0.658 0.000 0.940 462 K CB -0.382 31.471 32.500 -1.080 0.000 0.729 462 K HN 0.536 nan 8.250 nan 0.000 0.451 463 F N -0.744 119.205 119.950 -0.002 0.000 2.698 463 F HA 0.233 4.800 4.527 0.066 0.000 0.304 463 F C 1.079 176.880 175.800 0.003 0.000 1.108 463 F CA 0.053 58.058 58.000 0.009 0.000 1.263 463 F CB 0.236 39.258 39.000 0.036 0.000 1.013 463 F HN 0.000 nan 8.300 nan 0.000 0.532 464 T N -4.610 109.981 114.554 0.063 0.000 3.054 464 T HA 0.106 4.493 4.350 0.061 0.000 0.255 464 T C 0.171 174.797 174.700 -0.123 0.000 1.035 464 T CA -0.041 62.059 62.100 -0.000 0.000 0.941 464 T CB 0.070 68.925 68.868 -0.022 0.000 1.026 464 T HN -0.040 nan 8.240 nan 0.000 0.533 465 D N 1.615 121.940 120.400 -0.125 0.000 2.454 465 D HA 0.201 4.878 4.640 0.061 0.000 0.225 465 D C 0.775 176.963 176.300 -0.187 0.000 1.081 465 D CA -1.195 52.671 54.000 -0.222 0.000 0.864 465 D CB 0.627 41.324 40.800 -0.173 0.000 1.040 465 D HN 0.341 nan 8.370 nan 0.000 0.517 466 Y N 2.650 122.847 120.300 -0.172 0.000 2.574 466 Y HA 0.070 4.657 4.550 0.061 0.000 0.294 466 Y C 0.932 176.649 175.900 -0.304 0.000 1.142 466 Y CA 0.593 58.574 58.100 -0.199 0.000 1.314 466 Y CB -1.212 37.332 38.460 0.139 0.000 0.991 466 Y HN 0.281 nan 8.280 nan 0.000 0.555 467 N N 0.427 119.156 118.700 0.047 0.000 2.446 467 N HA -0.081 4.696 4.740 0.061 0.000 0.179 467 N C 0.233 175.705 175.510 -0.063 0.000 1.054 467 N CA 0.611 53.682 53.050 0.035 0.000 0.905 467 N CB 0.028 38.530 38.487 0.026 0.000 0.973 467 N HN 0.462 nan 8.380 nan 0.000 0.448 468 N N 0.522 119.148 118.700 -0.123 0.000 2.711 468 N HA 0.164 4.941 4.740 0.061 0.000 0.263 468 N C -2.977 172.451 175.510 -0.136 0.000 1.667 468 N CA -1.497 51.492 53.050 -0.102 0.000 0.785 468 N CB 0.918 39.362 38.487 -0.073 0.000 1.231 468 N HN -0.096 nan 8.380 nan 0.000 0.503 469 P HA 0.081 nan 4.420 nan 0.000 0.269 469 P C -1.018 176.264 177.300 -0.031 0.000 1.209 469 P CA 0.216 63.173 63.100 -0.238 0.000 0.776 469 P CB 1.092 32.413 31.700 -0.632 0.000 0.876 470 Q N 1.804 121.663 119.800 0.099 0.000 2.359 470 Q HA 0.418 4.795 4.340 0.061 0.000 0.274 470 Q C -2.626 173.551 176.000 0.295 0.000 1.074 470 Q CA -2.129 53.787 55.803 0.189 0.000 0.810 470 Q CB 2.410 31.243 28.738 0.159 0.000 1.342 470 Q HN 0.341 nan 8.270 nan 0.000 0.427 471 P HA 0.104 nan 4.420 nan 0.000 0.282 471 P C 0.552 177.934 177.300 0.137 0.000 1.262 471 P CA -0.103 63.081 63.100 0.140 0.000 0.773 471 P CB 1.064 32.820 31.700 0.093 0.000 0.879 472 V N 4.122 123.942 119.914 -0.157 0.000 2.323 472 V HA -0.070 4.087 4.120 0.061 0.000 0.244 472 V C 1.309 177.308 176.094 -0.157 0.000 1.041 472 V CA 1.539 63.630 62.300 -0.349 0.000 1.025 472 V CB -0.390 31.101 31.823 -0.554 0.000 0.656 472 V HN 0.456 nan 8.190 nan 0.000 0.451 473 I N 0.557 120.994 120.570 -0.221 0.000 2.433 473 I HA 0.457 4.664 4.170 0.061 0.000 0.292 473 I C -0.355 175.617 176.117 -0.243 0.000 1.001 473 I CA -0.233 60.882 61.300 -0.308 0.000 1.119 473 I CB 1.377 38.992 38.000 -0.642 0.000 1.289 473 I HN 0.267 nan 8.210 nan 0.000 0.438 474 Q N 4.825 124.479 119.800 -0.244 0.000 2.357 474 Q HA 0.443 4.820 4.340 0.061 0.000 0.266 474 Q C -1.391 174.405 176.000 -0.340 0.000 1.021 474 Q CA -0.487 55.184 55.803 -0.220 0.000 0.784 474 Q CB 1.872 30.523 28.738 -0.144 0.000 1.243 474 Q HN 0.519 nan 8.270 nan 0.000 0.465 475 V N 4.169 123.829 119.914 -0.423 0.000 2.338 475 V HA 0.545 4.702 4.120 0.061 0.000 0.255 475 V C 0.605 176.369 176.094 -0.550 0.000 1.082 475 V CA 0.373 62.282 62.300 -0.652 0.000 0.951 475 V CB -0.215 30.888 31.823 -1.201 0.000 1.102 475 V HN 0.962 nan 8.190 nan 0.000 0.489 476 G N 4.150 112.711 108.800 -0.398 0.000 2.731 476 G HA2 0.218 4.215 3.960 0.061 0.000 0.686 476 G HA3 0.218 4.215 3.960 0.061 0.000 0.686 476 G C -0.036 174.753 174.900 -0.186 0.000 1.395 476 G CA -0.468 44.477 45.100 -0.259 0.000 0.870 476 G HN 1.437 nan 8.290 nan 0.000 0.591 477 A N 2.880 125.623 122.820 -0.128 0.000 2.425 477 A HA 0.723 5.080 4.320 0.061 0.000 0.242 477 A C -1.418 176.126 177.584 -0.067 0.000 1.077 477 A CA -0.456 51.529 52.037 -0.086 0.000 0.781 477 A CB -0.044 18.919 19.000 -0.063 0.000 1.020 477 A HN 0.727 nan 8.150 nan 0.000 0.494 478 P HA 0.186 nan 4.420 nan 0.000 0.262 478 P C 0.989 178.275 177.300 -0.023 0.000 1.182 478 P CA 2.089 65.169 63.100 -0.032 0.000 0.761 478 P CB 0.431 32.117 31.700 -0.022 0.000 0.795 479 G N 1.890 110.682 108.800 -0.012 0.000 2.179 479 G HA2 -0.248 3.749 3.960 0.061 0.000 0.260 479 G HA3 -0.248 3.749 3.960 0.061 0.000 0.260 479 G C 0.375 175.273 174.900 -0.004 0.000 0.977 479 G CA 0.304 45.400 45.100 -0.008 0.000 0.641 479 G HN 0.794 nan 8.290 nan 0.000 0.533 480 S N -0.177 115.519 115.700 -0.006 0.000 2.603 480 S HA 0.767 5.274 4.470 0.061 0.000 0.268 480 S C 0.240 174.861 174.600 0.035 0.000 1.317 480 S CA 0.706 58.904 58.200 -0.004 0.000 1.012 480 S CB 1.960 65.140 63.200 -0.034 0.000 0.926 480 S HN 1.910 nan 8.310 nan 0.000 0.539 481 S N 0.094 115.819 115.700 0.042 0.000 2.569 481 S HA 0.976 5.483 4.470 0.061 0.000 0.280 481 S C -0.044 174.597 174.600 0.068 0.000 1.111 481 S CA -0.333 57.921 58.200 0.091 0.000 0.887 481 S CB 1.287 64.551 63.200 0.107 0.000 1.095 481 S HN 2.087 nan 8.310 nan 0.000 0.476 482 G N -0.078 108.777 108.800 0.092 0.000 2.356 482 G HA2 0.349 4.346 3.960 0.061 0.000 0.288 482 G HA3 0.349 4.346 3.960 0.061 0.000 0.288 482 G C -1.599 173.355 174.900 0.091 0.000 1.302 482 G CA -0.366 44.779 45.100 0.076 0.000 0.887 482 G HN 1.253 nan 8.290 nan 0.000 0.521 483 V N 0.003 119.968 119.914 0.085 0.000 2.508 483 V HA 0.489 4.646 4.120 0.061 0.000 0.281 483 V C 0.200 176.345 176.094 0.086 0.000 1.041 483 V CA -0.132 62.232 62.300 0.107 0.000 1.016 483 V CB 1.046 32.932 31.823 0.105 0.000 0.984 483 V HN 0.806 nan 8.190 nan 0.000 0.478 484 V N 5.325 125.310 119.914 0.119 0.000 2.462 484 V HA 0.398 4.555 4.120 0.061 0.000 0.288 484 V C -0.386 175.840 176.094 0.220 0.000 1.020 484 V CA -0.649 61.699 62.300 0.079 0.000 0.857 484 V CB 1.667 33.432 31.823 -0.097 0.000 1.013 484 V HN 0.941 nan 8.190 nan 0.000 0.431 485 E N 5.201 125.550 120.200 0.249 0.000 2.176 485 E HA 0.672 5.059 4.350 0.061 0.000 0.267 485 E C -1.189 175.626 176.600 0.358 0.000 0.893 485 E CA -0.529 56.115 56.400 0.407 0.000 0.761 485 E CB 2.746 32.660 29.700 0.357 0.000 1.133 485 E HN 0.560 nan 8.360 nan 0.000 0.409 486 I N 2.514 123.348 120.570 0.440 0.000 2.436 486 I HA 0.313 4.520 4.170 0.061 0.000 0.289 486 I C -0.396 175.924 176.117 0.339 0.000 1.010 486 I CA -0.572 60.934 61.300 0.342 0.000 1.098 486 I CB 1.992 40.198 38.000 0.343 0.000 1.266 486 I HN 0.463 nan 8.210 nan 0.000 0.434 487 T N 0.133 114.830 114.554 0.238 0.000 2.893 487 T HA 0.364 4.751 4.350 0.061 0.000 0.293 487 T C -0.340 174.465 174.700 0.175 0.000 1.027 487 T CA -0.742 61.446 62.100 0.146 0.000 0.988 487 T CB 1.886 70.731 68.868 -0.039 0.000 1.043 487 T HN 0.648 nan 8.240 nan 0.000 0.461 488 D N 1.319 121.828 120.400 0.183 0.000 2.689 488 D HA -0.118 4.559 4.640 0.061 0.000 0.237 488 D C -0.315 175.978 176.300 -0.011 0.000 1.148 488 D CA 0.789 54.894 54.000 0.174 0.000 0.656 488 D CB -0.598 40.390 40.800 0.313 0.000 1.050 488 D HN 0.498 nan 8.370 nan 0.000 0.426 489 M N 0.256 119.741 119.600 -0.192 0.000 2.598 489 M HA 0.493 5.010 4.480 0.061 0.000 0.317 489 M C 0.270 176.158 176.300 -0.688 0.000 1.179 489 M CA -0.739 54.256 55.300 -0.509 0.000 0.936 489 M CB 2.172 34.331 32.600 -0.735 0.000 1.713 489 M HN -0.141 nan 8.290 nan 0.000 0.460 490 I N 2.296 122.382 120.570 -0.807 0.000 2.433 490 I HA 0.492 4.699 4.170 0.061 0.000 0.292 490 I C -1.143 174.540 176.117 -0.723 0.000 1.001 490 I CA -0.455 60.417 61.300 -0.714 0.000 1.119 490 I CB 1.315 38.832 38.000 -0.805 0.000 1.289 490 I HN 0.450 nan 8.210 nan 0.000 0.438 491 F N 3.452 123.329 119.950 -0.122 0.000 2.507 491 F HA 0.721 5.285 4.527 0.061 0.000 0.325 491 F C 0.608 176.367 175.800 -0.068 0.000 1.116 491 F CA -0.582 57.357 58.000 -0.101 0.000 0.930 491 F CB 2.099 41.054 39.000 -0.076 0.000 1.146 491 F HN 0.440 nan 8.300 nan 0.000 0.447 492 T N 0.146 114.768 114.554 0.113 0.000 2.649 492 T HA 0.667 5.054 4.350 0.061 0.000 0.305 492 T C -1.140 173.571 174.700 0.018 0.000 1.409 492 T CA -0.312 61.822 62.100 0.056 0.000 1.021 492 T CB 1.345 70.242 68.868 0.048 0.000 1.726 492 T HN 0.781 nan 8.240 nan 0.000 0.475 493 T N -0.288 114.279 114.554 0.022 0.000 2.901 493 T HA 0.727 5.114 4.350 0.061 0.000 0.293 493 T C -0.894 173.832 174.700 0.043 0.000 1.084 493 T CA -0.893 61.215 62.100 0.013 0.000 1.008 493 T CB 1.781 70.658 68.868 0.015 0.000 1.170 493 T HN 0.698 nan 8.240 nan 0.000 0.509 494 R N 0.662 121.196 120.500 0.057 0.000 2.343 494 R HA 0.607 4.984 4.340 0.061 0.000 0.320 494 R C 0.491 176.829 176.300 0.063 0.000 0.956 494 R CA -0.511 55.620 56.100 0.053 0.000 0.836 494 R CB 0.721 31.057 30.300 0.060 0.000 1.151 494 R HN 0.989 nan 8.270 nan 0.000 0.450 495 G N 4.014 112.839 108.800 0.043 0.000 2.572 495 G HA2 0.290 4.287 3.960 0.061 0.000 0.261 495 G HA3 0.290 4.287 3.960 0.061 0.000 0.261 495 G C -2.198 172.740 174.900 0.063 0.000 1.197 495 G CA -1.050 44.087 45.100 0.061 0.000 0.870 495 G HN 0.531 nan 8.290 nan 0.000 0.548 496 P HA 0.409 nan 4.420 nan 0.000 0.275 496 P C -0.554 176.840 177.300 0.156 0.000 1.228 496 P CA -0.221 62.965 63.100 0.142 0.000 0.786 496 P CB 1.753 33.549 31.700 0.160 0.000 0.927 497 A N 1.587 124.533 122.820 0.210 0.000 3.448 497 A HA 0.496 4.853 4.320 0.061 0.000 0.232 497 A C 1.185 178.931 177.584 0.270 0.000 1.018 497 A CA 0.153 52.319 52.037 0.214 0.000 0.996 497 A CB -0.385 18.726 19.000 0.185 0.000 1.283 497 A HN 0.438 nan 8.150 nan 0.000 0.586 498 A N -0.250 122.704 122.820 0.224 0.000 2.076 498 A HA 0.156 4.513 4.320 0.061 0.000 0.220 498 A C 1.837 179.651 177.584 0.384 0.000 1.160 498 A CA 2.098 54.296 52.037 0.267 0.000 0.653 498 A CB -0.220 18.534 19.000 -0.410 0.000 0.801 498 A HN 1.308 nan 8.150 nan 0.000 0.455 499 G N -1.531 107.397 108.800 0.214 0.000 3.126 499 G HA2 0.430 4.427 3.960 0.061 0.000 0.224 499 G HA3 0.430 4.427 3.960 0.061 0.000 0.224 499 G C 0.503 175.526 174.900 0.204 0.000 1.142 499 G CA 0.530 45.707 45.100 0.129 0.000 0.759 499 G HN 0.725 nan 8.290 nan 0.000 0.550 500 A N 0.758 123.731 122.820 0.255 0.000 2.451 500 A HA 0.582 4.939 4.320 0.061 0.000 0.266 500 A C -0.097 177.563 177.584 0.126 0.000 1.119 500 A CA -0.153 51.977 52.037 0.154 0.000 0.786 500 A CB 0.038 19.041 19.000 0.004 0.000 1.061 500 A HN 0.263 nan 8.150 nan 0.000 0.503 501 I N 4.663 125.288 120.570 0.092 0.000 2.291 501 I HA 0.129 4.336 4.170 0.061 0.000 0.290 501 I C 0.826 176.947 176.117 0.007 0.000 1.050 501 I CA -0.126 61.220 61.300 0.077 0.000 1.245 501 I CB 0.920 38.995 38.000 0.124 0.000 1.405 501 I HN 0.725 nan 8.210 nan 0.000 0.478 502 I N 5.755 126.319 120.570 -0.009 0.000 2.202 502 I HA -0.106 4.101 4.170 0.061 0.000 0.242 502 I C 0.479 176.546 176.117 -0.084 0.000 1.091 502 I CA 1.218 62.483 61.300 -0.060 0.000 1.368 502 I CB -0.027 37.972 38.000 -0.002 0.000 1.058 502 I HN 0.259 nan 8.210 nan 0.000 0.410 503 V N 1.460 121.365 119.914 -0.016 0.000 2.443 503 V HA 0.224 4.380 4.120 0.061 0.000 0.293 503 V C -0.310 175.829 176.094 0.075 0.000 1.021 503 V CA -0.734 61.545 62.300 -0.035 0.000 0.848 503 V CB 1.690 33.524 31.823 0.019 0.000 0.998 503 V HN 0.187 nan 8.190 nan 0.000 0.424 504 E N 5.303 125.524 120.200 0.035 0.000 2.081 504 E HA 0.169 4.556 4.350 0.061 0.000 0.276 504 E C -1.311 175.311 176.600 0.036 0.000 0.950 504 E CA -0.614 55.829 56.400 0.072 0.000 0.776 504 E CB 0.945 30.681 29.700 0.060 0.000 1.094 504 E HN 0.722 nan 8.360 nan 0.000 0.402 505 W N 6.636 127.874 121.300 -0.104 0.000 2.291 505 W HA 0.268 4.972 4.660 0.073 0.000 0.312 505 W C -0.523 175.933 176.519 -0.105 0.000 1.061 505 W CA -0.535 56.752 57.345 -0.097 0.000 1.296 505 W CB 0.998 30.416 29.460 -0.070 0.000 1.223 505 W HN 0.667 nan 8.180 nan 0.000 0.421 506 N N 3.272 121.931 118.700 -0.069 0.000 2.460 506 N HA -0.072 4.705 4.740 0.061 0.000 0.193 506 N C 0.509 176.038 175.510 0.033 0.000 1.080 506 N CA 0.127 53.169 53.050 -0.013 0.000 0.869 506 N CB 0.648 39.090 38.487 -0.076 0.000 1.201 506 N HN 0.197 nan 8.380 nan 0.000 0.457 507 V N 2.165 122.027 119.914 -0.085 0.000 2.963 507 V HA -0.003 4.154 4.120 0.061 0.000 0.306 507 V C -0.163 176.053 176.094 0.203 0.000 1.077 507 V CA 0.017 62.319 62.300 0.004 0.000 1.124 507 V CB 0.740 32.486 31.823 -0.127 0.000 0.987 507 V HN 0.309 nan 8.190 nan 0.000 0.487 508 H N 3.400 122.532 119.070 0.102 0.000 2.679 508 H HA 0.387 4.982 4.556 0.065 0.000 0.367 508 H C -0.717 174.692 175.328 0.134 0.000 1.162 508 H CA -0.917 55.209 56.048 0.130 0.000 1.181 508 H CB 1.872 31.681 29.762 0.079 0.000 1.693 508 H HN 0.756 nan 8.280 nan 0.000 0.538 509 D N 4.065 124.507 120.400 0.069 0.000 2.506 509 D HA 0.031 4.708 4.640 0.061 0.000 0.234 509 D C -1.925 174.560 176.300 0.310 0.000 1.143 509 D CA -0.552 53.566 54.000 0.197 0.000 0.871 509 D CB 0.692 41.583 40.800 0.151 0.000 1.190 509 D HN 0.358 nan 8.370 nan 0.000 0.459 510 P HA 0.012 nan 4.420 nan 0.000 0.274 510 P C -0.170 177.218 177.300 0.147 0.000 1.246 510 P CA -0.509 62.682 63.100 0.152 0.000 0.795 510 P CB 0.564 32.328 31.700 0.107 0.000 1.006 511 S N 0.035 115.801 115.700 0.110 0.000 2.552 511 S HA 0.286 4.792 4.470 0.061 0.000 0.289 511 S C 1.441 176.093 174.600 0.087 0.000 1.304 511 S CA 0.979 59.236 58.200 0.095 0.000 1.063 511 S CB -1.512 61.726 63.200 0.064 0.000 0.848 511 S HN 0.915 nan 8.310 nan 0.000 0.499 512 G N 3.601 112.454 108.800 0.088 0.000 2.168 512 G HA2 -0.232 3.765 3.960 0.061 0.000 0.263 512 G HA3 -0.232 3.765 3.960 0.061 0.000 0.263 512 G C -0.117 174.826 174.900 0.071 0.000 0.977 512 G CA 0.578 45.721 45.100 0.072 0.000 0.659 512 G HN 0.801 nan 8.290 nan 0.000 0.533 513 Q N 0.252 120.105 119.800 0.088 0.000 2.695 513 Q HA 0.333 4.710 4.340 0.061 0.000 0.246 513 Q C -0.141 175.916 176.000 0.095 0.000 0.961 513 Q CA -0.397 55.453 55.803 0.077 0.000 0.708 513 Q CB 1.142 29.927 28.738 0.078 0.000 1.282 513 Q HN 0.594 nan 8.270 nan 0.000 0.482 514 Q N 0.738 120.584 119.800 0.077 0.000 2.332 514 Q HA 0.333 4.710 4.340 0.061 0.000 0.263 514 Q C 0.588 176.568 176.000 -0.033 0.000 0.979 514 Q CA 0.436 56.294 55.803 0.093 0.000 0.885 514 Q CB 0.881 29.660 28.738 0.069 0.000 1.218 514 Q HN 0.822 nan 8.270 nan 0.000 0.405 515 A N 1.580 124.408 122.820 0.013 0.000 2.847 515 A HA -0.302 4.055 4.320 0.061 0.000 0.263 515 A C 1.362 178.999 177.584 0.087 0.000 1.391 515 A CA 0.977 52.975 52.037 -0.065 0.000 0.866 515 A CB -2.033 16.605 19.000 -0.602 0.000 1.057 515 A HN 0.925 nan 8.150 nan 0.000 0.673 516 A N -1.050 121.850 122.820 0.134 0.000 2.019 516 A HA 0.416 4.773 4.320 0.061 0.000 0.219 516 A C 1.421 179.151 177.584 0.243 0.000 1.164 516 A CA 1.895 54.031 52.037 0.165 0.000 0.644 516 A CB -0.355 18.728 19.000 0.138 0.000 0.805 516 A HN 2.374 nan 8.150 nan 0.000 0.449 517 A N -0.400 122.589 122.820 0.282 0.000 2.256 517 A HA 0.631 4.988 4.320 0.061 0.000 0.317 517 A C 0.328 178.198 177.584 0.475 0.000 1.318 517 A CA 0.231 52.506 52.037 0.396 0.000 0.894 517 A CB 0.095 19.343 19.000 0.414 0.000 1.165 517 A HN 1.304 nan 8.150 nan 0.000 0.525 518 G N -0.027 109.078 108.800 0.508 0.000 2.495 518 G HA2 0.780 4.777 3.960 0.061 0.000 0.294 518 G HA3 0.780 4.777 3.960 0.061 0.000 0.294 518 G C -1.168 173.776 174.900 0.072 0.000 1.397 518 G CA 0.171 45.329 45.100 0.097 0.000 0.790 518 G HN 1.752 nan 8.290 nan 0.000 0.486 519 A N -0.608 121.925 122.820 -0.477 0.000 2.515 519 A HA 0.859 5.215 4.320 0.061 0.000 0.298 519 A C -1.668 175.630 177.584 -0.477 0.000 1.059 519 A CA -0.581 51.369 52.037 -0.145 0.000 0.698 519 A CB 1.375 20.429 19.000 0.090 0.000 1.289 519 A HN 0.745 nan 8.150 nan 0.000 0.404 520 W N 0.727 122.011 121.300 -0.028 0.000 3.022 520 W HA 0.333 5.031 4.660 0.063 0.000 0.335 520 W C -0.674 175.811 176.519 -0.057 0.000 1.133 520 W CA -0.386 56.922 57.345 -0.063 0.000 1.219 520 W CB 1.632 31.027 29.460 -0.109 0.000 1.409 520 W HN 0.927 nan 8.180 nan 0.000 0.507 521 D N 1.537 122.059 120.400 0.204 0.000 2.751 521 D HA -0.139 4.538 4.640 0.061 0.000 0.233 521 D C -0.258 175.955 176.300 -0.145 0.000 1.149 521 D CA 1.325 55.441 54.000 0.194 0.000 0.682 521 D CB -0.913 40.168 40.800 0.469 0.000 1.068 521 D HN 0.116 nan 8.370 nan 0.000 0.429 522 T N 0.421 114.682 114.554 -0.489 0.000 2.848 522 T HA 0.429 4.816 4.350 0.061 0.000 0.285 522 T C -0.328 173.996 174.700 -0.628 0.000 0.995 522 T CA -0.544 61.293 62.100 -0.437 0.000 0.970 522 T CB 2.159 70.944 68.868 -0.139 0.000 0.976 522 T HN 0.093 nan 8.240 nan 0.000 0.441 523 H N 1.763 120.837 119.070 0.006 0.000 2.928 523 H HA 0.466 5.005 4.556 -0.028 0.000 0.371 523 H C -1.230 174.119 175.328 0.036 0.000 1.186 523 H CA -0.998 55.110 56.048 0.100 0.000 1.134 523 H CB 1.779 31.679 29.762 0.230 0.000 1.824 523 H HN 0.267 nan 8.280 nan 0.000 0.554 524 L N 2.951 124.305 121.223 0.219 0.000 2.321 524 L HA 0.214 4.591 4.340 0.061 0.000 0.272 524 L C -0.252 176.677 176.870 0.099 0.000 1.050 524 L CA -0.136 54.790 54.840 0.143 0.000 0.893 524 L CB 0.244 42.388 42.059 0.142 0.000 1.272 524 L HN 0.391 nan 8.230 nan 0.000 0.435 525 I N 4.786 125.420 120.570 0.106 0.000 2.282 525 I HA 0.241 4.448 4.170 0.061 0.000 0.290 525 I C 0.240 176.444 176.117 0.145 0.000 1.090 525 I CA -0.176 61.231 61.300 0.179 0.000 1.231 525 I CB 0.390 38.576 38.000 0.310 0.000 1.434 525 I HN 0.386 nan 8.210 nan 0.000 0.487 526 I N 5.760 126.356 120.570 0.043 0.000 2.291 526 I HA 0.511 4.718 4.170 0.061 0.000 0.290 526 I C 1.041 177.074 176.117 -0.140 0.000 1.050 526 I CA -0.165 61.108 61.300 -0.045 0.000 1.245 526 I CB 0.601 38.561 38.000 -0.067 0.000 1.405 526 I HN 0.757 nan 8.210 nan 0.000 0.478 527 G N 4.051 112.820 108.800 -0.051 0.000 2.750 527 G HA2 0.070 4.066 3.960 0.061 0.000 0.228 527 G HA3 0.070 4.066 3.960 0.061 0.000 0.228 527 G C 0.653 175.524 174.900 -0.047 0.000 1.367 527 G CA -0.146 44.904 45.100 -0.084 0.000 0.871 527 G HN 1.513 nan 8.290 nan 0.000 0.560 528 G N -2.345 106.413 108.800 -0.070 0.000 2.166 528 G HA2 0.210 4.207 3.960 0.061 0.000 0.260 528 G HA3 0.210 4.207 3.960 0.061 0.000 0.260 528 G C 0.962 175.934 174.900 0.120 0.000 0.986 528 G CA 2.023 47.128 45.100 0.009 0.000 0.683 528 G HN 2.955 nan 8.290 nan 0.000 0.527 529 T N -2.832 111.786 114.554 0.105 0.000 2.930 529 T HA 0.837 5.224 4.350 0.061 0.000 0.290 529 T C 0.399 175.115 174.700 0.026 0.000 1.052 529 T CA 0.247 62.426 62.100 0.131 0.000 1.017 529 T CB 1.966 70.987 68.868 0.256 0.000 1.137 529 T HN 1.785 nan 8.240 nan 0.000 0.511 530 A N 1.606 124.431 122.820 0.008 0.000 2.566 530 A HA 0.259 4.616 4.320 0.061 0.000 0.245 530 A C 0.977 178.280 177.584 -0.468 0.000 1.056 530 A CA 0.308 52.259 52.037 -0.144 0.000 0.757 530 A CB -0.990 17.984 19.000 -0.044 0.000 0.979 530 A HN 1.024 nan 8.150 nan 0.000 0.508 531 Q N 0.933 120.451 119.800 -0.470 0.000 2.481 531 Q HA -0.245 4.132 4.340 0.061 0.000 0.272 531 Q C 1.168 176.925 176.000 -0.404 0.000 1.157 531 Q CA 0.902 56.355 55.803 -0.583 0.000 0.935 531 Q CB -2.195 25.852 28.738 -1.151 0.000 1.338 531 Q HN 1.269 nan 8.270 nan 0.000 0.494 532 S N -2.113 113.460 115.700 -0.210 0.000 2.528 532 S HA 0.272 4.778 4.470 0.061 0.000 0.219 532 S C 1.514 176.077 174.600 -0.063 0.000 0.985 532 S CA 0.704 58.854 58.200 -0.084 0.000 0.914 532 S CB 0.766 63.952 63.200 -0.023 0.000 0.776 532 S HN 1.043 nan 8.310 nan 0.000 0.526 533 G N 1.061 109.812 108.800 -0.082 0.000 2.162 533 G HA2 -0.229 3.768 3.960 0.061 0.000 0.260 533 G HA3 -0.229 3.768 3.960 0.061 0.000 0.260 533 G C 0.176 175.035 174.900 -0.069 0.000 0.976 533 G CA 0.560 45.624 45.100 -0.059 0.000 0.655 533 G HN 0.610 nan 8.290 nan 0.000 0.533 534 L N 0.236 121.410 121.223 -0.082 0.000 3.059 534 L HA 0.405 4.782 4.340 0.061 0.000 0.298 534 L C 0.696 177.495 176.870 -0.118 0.000 1.304 534 L CA -0.343 54.429 54.840 -0.114 0.000 0.855 534 L CB 0.578 42.572 42.059 -0.109 0.000 1.266 534 L HN 0.239 nan 8.230 nan 0.000 0.572 535 Q N -0.805 118.935 119.800 -0.100 0.000 2.385 535 Q HA 0.261 4.638 4.340 0.061 0.000 0.262 535 Q C 0.945 176.891 176.000 -0.089 0.000 1.050 535 Q CA -0.555 55.200 55.803 -0.079 0.000 0.903 535 Q CB 2.764 31.466 28.738 -0.059 0.000 1.325 535 Q HN 0.028 nan 8.270 nan 0.000 0.485 536 V N 0.864 120.740 119.914 -0.064 0.000 2.490 536 V HA -0.148 4.008 4.120 0.061 0.000 0.250 536 V C 1.622 177.672 176.094 -0.073 0.000 1.061 536 V CA 2.694 64.952 62.300 -0.070 0.000 1.064 536 V CB -0.717 31.080 31.823 -0.043 0.000 0.670 536 V HN 0.975 nan 8.190 nan 0.000 0.461 537 G N -1.273 107.490 108.800 -0.061 0.000 2.448 537 G HA2 -0.240 3.756 3.960 0.061 0.000 0.219 537 G HA3 -0.240 3.756 3.960 0.061 0.000 0.219 537 G C 1.355 176.217 174.900 -0.063 0.000 1.127 537 G CA 1.007 46.074 45.100 -0.056 0.000 0.766 537 G HN 0.590 nan 8.290 nan 0.000 0.552 538 Q N -1.407 118.345 119.800 -0.079 0.000 2.396 538 Q HA 0.255 4.632 4.340 0.061 0.000 0.220 538 Q C 0.719 176.648 176.000 -0.119 0.000 0.900 538 Q CA 0.422 56.174 55.803 -0.085 0.000 0.925 538 Q CB 0.786 29.474 28.738 -0.084 0.000 1.065 538 Q HN 0.334 nan 8.270 nan 0.000 0.535 539 c N 2.565 121.074 118.600 -0.150 0.000 3.401 539 c HA 0.416 5.023 4.570 0.061 0.000 0.204 539 c C -2.427 171.538 174.090 -0.209 0.000 1.522 539 c CA -1.674 54.521 56.329 -0.223 0.000 1.409 539 c CB -0.129 42.195 42.510 -0.310 0.000 1.967 539 c HN 0.249 nan 8.230 nan 0.000 0.496 540 P HA 0.100 nan 4.420 nan 0.000 0.271 540 P C 1.050 178.247 177.300 -0.172 0.000 1.233 540 P CA 0.601 63.614 63.100 -0.146 0.000 0.789 540 P CB 0.676 32.311 31.700 -0.108 0.000 0.951 541 T N -3.015 111.409 114.554 -0.216 0.000 3.007 541 T HA -0.126 4.261 4.350 0.061 0.000 0.270 541 T C 1.719 176.334 174.700 -0.141 0.000 1.107 541 T CA 1.352 63.275 62.100 -0.294 0.000 1.118 541 T CB -1.200 67.210 68.868 -0.762 0.000 0.889 541 T HN 0.489 nan 8.240 nan 0.000 0.506 542 S N 1.246 116.884 115.700 -0.104 0.000 2.419 542 S HA 0.179 4.686 4.470 0.061 0.000 0.233 542 S C 2.177 176.784 174.600 0.013 0.000 1.016 542 S CA 0.896 59.076 58.200 -0.035 0.000 0.974 542 S CB -1.179 61.998 63.200 -0.039 0.000 0.786 542 S HN 1.405 nan 8.310 nan 0.000 0.492 543 G N 0.546 109.345 108.800 -0.002 0.000 2.176 543 G HA2 -0.193 3.803 3.960 0.061 0.000 0.253 543 G HA3 -0.193 3.803 3.960 0.061 0.000 0.253 543 G C 0.932 175.859 174.900 0.045 0.000 0.979 543 G CA 0.336 45.475 45.100 0.065 0.000 0.641 543 G HN 1.299 nan 8.290 nan 0.000 0.530 544 A N 0.303 123.120 122.820 -0.005 0.000 2.070 544 A HA 0.312 4.669 4.320 0.061 0.000 0.220 544 A C 2.676 180.254 177.584 -0.010 0.000 1.159 544 A CA 2.170 54.203 52.037 -0.007 0.000 0.656 544 A CB -0.753 18.235 19.000 -0.020 0.000 0.800 544 A HN 1.627 nan 8.150 nan 0.000 0.453 545 G N -1.186 107.591 108.800 -0.039 0.000 2.471 545 G HA2 0.248 4.245 3.960 0.061 0.000 0.219 545 G HA3 0.248 4.245 3.960 0.061 0.000 0.219 545 G C 1.416 176.319 174.900 0.005 0.000 1.125 545 G CA 0.910 45.981 45.100 -0.049 0.000 0.775 545 G HN 1.414 nan 8.290 nan 0.000 0.548 546 G N 0.960 109.805 108.800 0.075 0.000 2.690 546 G HA2 -0.455 3.542 3.960 0.061 0.000 0.334 546 G HA3 -0.455 3.542 3.960 0.061 0.000 0.334 546 G C 1.073 176.089 174.900 0.193 0.000 1.250 546 G CA 0.917 46.105 45.100 0.147 0.000 0.994 546 G HN 0.539 nan 8.290 nan 0.000 0.549 547 N N 1.786 120.588 118.700 0.170 0.000 2.550 547 N HA 0.020 4.797 4.740 0.061 0.000 0.186 547 N C 1.621 177.311 175.510 0.300 0.000 1.110 547 N CA 0.716 53.956 53.050 0.316 0.000 0.912 547 N CB -0.042 38.611 38.487 0.276 0.000 0.968 547 N HN 0.394 nan 8.380 nan 0.000 0.448 548 N N -0.202 118.579 118.700 0.136 0.000 2.494 548 N HA 0.005 4.781 4.740 0.061 0.000 0.182 548 N C 0.241 175.766 175.510 0.024 0.000 1.076 548 N CA 0.582 53.679 53.050 0.078 0.000 0.908 548 N CB 0.065 38.562 38.487 0.016 0.000 0.967 548 N HN 0.324 nan 8.380 nan 0.000 0.449 549 c N 0.355 118.918 118.600 -0.062 0.000 2.884 549 c HA 0.344 4.951 4.570 0.061 0.000 0.287 549 c C 0.398 174.256 174.090 -0.387 0.000 1.310 549 c CA -0.982 55.134 56.329 -0.355 0.000 1.725 549 c CB -1.907 40.175 42.510 -0.713 0.000 2.060 549 c HN 0.073 nan 8.230 nan 0.000 0.618 550 F N 1.124 121.115 119.950 0.068 0.000 2.533 550 F HA 0.311 4.874 4.527 0.060 0.000 0.378 550 F C 1.286 177.153 175.800 0.111 0.000 1.070 550 F CA 0.219 58.332 58.000 0.187 0.000 1.172 550 F CB 0.594 39.711 39.000 0.195 0.000 1.085 550 F HN 0.270 nan 8.300 nan 0.000 0.552 551 A N 2.647 125.637 122.820 0.284 0.000 1.973 551 A HA 0.221 4.578 4.320 0.061 0.000 0.210 551 A C -0.062 177.649 177.584 0.212 0.000 1.200 551 A CA 1.034 53.164 52.037 0.155 0.000 0.707 551 A CB -0.241 18.771 19.000 0.020 0.000 0.862 551 A HN 0.792 nan 8.150 nan 0.000 0.461 552 D N -5.436 115.160 120.400 0.326 0.000 2.710 552 D HA 0.323 5.000 4.640 0.061 0.000 0.276 552 D C -0.021 176.510 176.300 0.385 0.000 1.267 552 D CA -0.626 53.546 54.000 0.285 0.000 0.772 552 D CB 0.008 40.895 40.800 0.145 0.000 1.299 552 D HN -0.128 nan 8.370 nan 0.000 0.421 553 F N 0.194 120.202 119.950 0.097 0.000 2.188 553 F HA 0.458 5.023 4.527 0.063 0.000 0.289 553 F C -0.183 175.466 175.800 -0.252 0.000 1.082 553 F CA 0.635 58.566 58.000 -0.115 0.000 1.282 553 F CB 0.336 39.252 39.000 -0.139 0.000 1.060 553 F HN 0.392 nan 8.300 nan 0.000 0.493 554 L N -0.544 120.591 121.223 -0.147 0.000 2.455 554 L HA 0.533 4.910 4.340 0.061 0.000 0.264 554 L C 0.600 177.421 176.870 -0.082 0.000 0.968 554 L CA -0.193 54.516 54.840 -0.217 0.000 0.827 554 L CB 1.435 43.397 42.059 -0.162 0.000 1.317 554 L HN 0.108 nan 8.230 nan 0.000 0.407 555 G N 3.699 112.415 108.800 -0.140 0.000 2.496 555 G HA2 0.045 4.042 3.960 0.061 0.000 0.214 555 G HA3 0.045 4.042 3.960 0.061 0.000 0.214 555 G C -0.176 174.725 174.900 0.003 0.000 1.234 555 G CA 0.861 45.924 45.100 -0.063 0.000 0.807 555 G HN 0.515 nan 8.290 nan 0.000 0.543 556 L N -0.677 120.547 121.223 0.002 0.000 2.385 556 L HA 0.562 4.939 4.340 0.061 0.000 0.273 556 L C -1.216 175.758 176.870 0.172 0.000 0.990 556 L CA -1.061 53.828 54.840 0.083 0.000 0.821 556 L CB 2.165 44.249 42.059 0.041 0.000 1.279 556 L HN 0.384 nan 8.230 nan 0.000 0.412 557 H N 5.870 125.001 119.070 0.101 0.000 2.792 557 H HA 0.442 5.034 4.556 0.059 0.000 0.298 557 H C -1.394 174.017 175.328 0.138 0.000 1.042 557 H CA -0.857 55.273 56.048 0.136 0.000 1.300 557 H CB 1.023 30.901 29.762 0.193 0.000 1.431 557 H HN 0.609 nan 8.280 nan 0.000 0.496 558 L N 5.831 127.163 121.223 0.182 0.000 2.283 558 L HA 0.165 4.542 4.340 0.061 0.000 0.287 558 L C 0.980 177.831 176.870 -0.032 0.000 1.073 558 L CA -0.402 54.472 54.840 0.057 0.000 0.822 558 L CB 1.141 43.207 42.059 0.012 0.000 1.186 558 L HN 0.659 nan 8.230 nan 0.000 0.436 559 T N -1.302 113.177 114.554 -0.125 0.000 2.847 559 T HA 0.095 4.482 4.350 0.061 0.000 0.279 559 T C 1.299 175.978 174.700 -0.034 0.000 0.984 559 T CA -0.161 61.829 62.100 -0.182 0.000 0.988 559 T CB 1.645 70.366 68.868 -0.246 0.000 1.040 559 T HN 0.479 nan 8.240 nan 0.000 0.528 560 S N 0.644 116.329 115.700 -0.024 0.000 2.381 560 S HA -0.085 4.422 4.470 0.061 0.000 0.230 560 S C 1.965 176.585 174.600 0.032 0.000 1.052 560 S CA 1.898 60.099 58.200 0.002 0.000 1.068 560 S CB -1.320 61.877 63.200 -0.005 0.000 0.918 560 S HN 1.038 nan 8.310 nan 0.000 0.448 561 G N 0.654 109.479 108.800 0.041 0.000 3.141 561 G HA2 0.302 4.299 3.960 0.061 0.000 0.218 561 G HA3 0.302 4.299 3.960 0.061 0.000 0.218 561 G C 0.378 175.390 174.900 0.187 0.000 1.170 561 G CA 0.387 45.533 45.100 0.077 0.000 0.769 561 G HN 0.687 nan 8.290 nan 0.000 0.546 562 S N 0.069 115.868 115.700 0.165 0.000 2.632 562 S HA 0.680 5.187 4.470 0.061 0.000 0.267 562 S C 0.149 174.819 174.600 0.118 0.000 1.276 562 S CA 0.145 58.472 58.200 0.211 0.000 0.998 562 S CB 1.711 65.058 63.200 0.246 0.000 0.953 562 S HN 0.638 nan 8.310 nan 0.000 0.547 563 S N -0.303 115.409 115.700 0.019 0.000 2.595 563 S HA 0.880 5.387 4.470 0.061 0.000 0.281 563 S C -0.876 173.705 174.600 -0.031 0.000 1.117 563 S CA -0.566 57.520 58.200 -0.190 0.000 0.873 563 S CB 1.398 64.290 63.200 -0.512 0.000 1.108 563 S HN 1.923 nan 8.310 nan 0.000 0.477 564 A N 1.202 123.927 122.820 -0.158 0.000 2.540 564 A HA 0.637 4.994 4.320 0.061 0.000 0.297 564 A C -1.964 175.620 177.584 0.001 0.000 1.056 564 A CA -0.610 51.267 52.037 -0.266 0.000 0.700 564 A CB 0.954 19.352 19.000 -1.003 0.000 1.280 564 A HN 1.222 nan 8.150 nan 0.000 0.398 565 Y N 3.251 123.501 120.300 -0.084 0.000 2.402 565 Y HA 0.672 5.266 4.550 0.073 0.000 0.332 565 Y C -1.166 174.434 175.900 -0.501 0.000 0.960 565 Y CA -0.563 57.477 58.100 -0.100 0.000 1.228 565 Y CB 0.798 39.145 38.460 -0.189 0.000 1.120 565 Y HN 0.564 nan 8.280 nan 0.000 0.491 566 L N 6.418 127.293 121.223 -0.580 0.000 2.319 566 L HA 0.454 4.831 4.340 0.061 0.000 0.281 566 L C -0.716 175.800 176.870 -0.590 0.000 1.005 566 L CA -0.625 53.866 54.840 -0.581 0.000 0.828 566 L CB 1.828 43.618 42.059 -0.448 0.000 1.227 566 L HN 0.589 nan 8.230 nan 0.000 0.415 567 E N 2.385 122.190 120.200 -0.658 0.000 2.155 567 E HA 0.481 4.868 4.350 0.061 0.000 0.264 567 E C 0.845 177.191 176.600 -0.423 0.000 0.886 567 E CA 0.100 56.128 56.400 -0.621 0.000 0.752 567 E CB 1.410 30.717 29.700 -0.655 0.000 1.133 567 E HN 0.755 nan 8.360 nan 0.000 0.414 568 G N 4.528 113.147 108.800 -0.300 0.000 2.184 568 G HA2 -0.355 3.641 3.960 0.061 0.000 0.264 568 G HA3 -0.355 3.641 3.960 0.061 0.000 0.264 568 G C 0.370 175.369 174.900 0.166 0.000 0.975 568 G CA 0.449 45.540 45.100 -0.014 0.000 0.642 568 G HN 0.581 nan 8.290 nan 0.000 0.536 569 M N 0.578 120.212 119.600 0.057 0.000 2.303 569 M HA 0.402 4.919 4.480 0.061 0.000 0.350 569 M C -0.098 176.433 176.300 0.386 0.000 1.518 569 M CA -0.435 54.969 55.300 0.173 0.000 1.070 569 M CB 0.136 32.745 32.600 0.014 0.000 1.910 569 M HN 0.255 nan 8.290 nan 0.000 0.458 570 W N 6.703 128.238 121.300 0.392 0.000 2.314 570 W HA 0.484 5.213 4.660 0.114 0.000 0.310 570 W C -1.692 174.951 176.519 0.206 0.000 1.075 570 W CA -0.983 56.474 57.345 0.186 0.000 1.253 570 W CB 0.952 30.403 29.460 -0.014 0.000 1.238 570 W HN 0.350 nan 8.180 nan 0.000 0.440 571 V N 7.983 128.052 119.914 0.259 0.000 2.218 571 V HA 0.052 4.209 4.120 0.061 0.000 0.261 571 V C -0.844 175.309 176.094 0.098 0.000 1.142 571 V CA -0.538 61.837 62.300 0.125 0.000 0.965 571 V CB -0.421 31.432 31.823 0.049 0.000 1.190 571 V HN 0.481 nan 8.190 nan 0.000 0.478 572 W N 6.459 127.491 121.300 -0.446 0.000 2.283 572 W HA 0.502 5.206 4.660 0.072 0.000 0.317 572 W C -0.491 175.777 176.519 -0.418 0.000 1.042 572 W CA -1.101 55.819 57.345 -0.709 0.000 1.348 572 W CB 1.122 29.573 29.460 -1.681 0.000 1.216 572 W HN 0.316 nan 8.180 nan 0.000 0.404 573 L N 7.289 128.090 121.223 -0.703 0.000 2.325 573 L HA 0.416 4.792 4.340 0.061 0.000 0.284 573 L C 0.424 176.575 176.870 -1.199 0.000 1.089 573 L CA 0.121 54.494 54.840 -0.777 0.000 0.836 573 L CB 0.008 41.605 42.059 -0.770 0.000 1.184 573 L HN 0.640 nan 8.230 nan 0.000 0.444 574 A N 4.880 126.850 122.820 -1.416 0.000 2.561 574 A HA 0.003 4.360 4.320 0.061 0.000 0.251 574 A C 1.247 178.179 177.584 -1.086 0.000 1.062 574 A CA 0.357 51.239 52.037 -1.926 0.000 0.761 574 A CB -0.203 18.125 19.000 -1.120 0.000 0.986 574 A HN 0.833 nan 8.150 nan 0.000 0.510 575 D N 2.105 121.925 120.400 -0.966 0.000 2.305 575 D HA -0.037 4.640 4.640 0.061 0.000 0.206 575 D C 0.558 176.755 176.300 -0.172 0.000 0.974 575 D CA 1.046 54.610 54.000 -0.727 0.000 0.871 575 D CB -0.013 40.072 40.800 -1.192 0.000 0.947 575 D HN 0.858 nan 8.370 nan 0.000 0.516 576 H N -1.368 117.688 119.070 -0.024 0.000 2.990 576 H HA 0.359 4.952 4.556 0.062 0.000 0.336 576 H C -1.767 173.668 175.328 0.178 0.000 1.306 576 H CA -0.718 55.396 56.048 0.109 0.000 1.118 576 H CB 1.560 31.446 29.762 0.208 0.000 1.856 576 H HN -0.203 nan 8.280 nan 0.000 0.538 577 D N 1.625 122.206 120.400 0.302 0.000 2.317 577 D HA 0.172 4.849 4.640 0.061 0.000 0.234 577 D C 0.933 177.404 176.300 0.285 0.000 1.112 577 D CA -0.472 53.644 54.000 0.192 0.000 0.840 577 D CB 1.113 41.971 40.800 0.096 0.000 1.078 577 D HN 0.558 nan 8.370 nan 0.000 0.486 578 L N 2.468 123.831 121.223 0.233 0.000 2.418 578 L HA 0.054 4.431 4.340 0.061 0.000 0.218 578 L C 1.066 177.994 176.870 0.097 0.000 1.125 578 L CA 0.532 55.505 54.840 0.222 0.000 0.835 578 L CB 0.195 42.420 42.059 0.276 0.000 0.953 578 L HN 0.341 nan 8.230 nan 0.000 0.454 579 D N -1.808 118.637 120.400 0.074 0.000 2.473 579 D HA 0.048 4.725 4.640 0.061 0.000 0.230 579 D C 1.994 178.298 176.300 0.007 0.000 1.097 579 D CA 0.341 54.352 54.000 0.019 0.000 0.861 579 D CB 0.718 41.526 40.800 0.013 0.000 1.114 579 D HN -0.023 nan 8.370 nan 0.000 0.500 580 S N 0.021 115.732 115.700 0.019 0.000 2.522 580 S HA 0.286 4.793 4.470 0.061 0.000 0.227 580 S C 1.067 175.667 174.600 0.001 0.000 0.986 580 S CA 0.699 58.902 58.200 0.003 0.000 0.929 580 S CB 0.343 63.544 63.200 0.002 0.000 0.769 580 S HN 0.514 nan 8.310 nan 0.000 0.529 581 G N -0.475 108.329 108.800 0.007 0.000 2.712 581 G HA2 0.339 4.336 3.960 0.061 0.000 0.686 581 G HA3 0.339 4.336 3.960 0.061 0.000 0.686 581 G C 0.544 175.445 174.900 0.002 0.000 1.181 581 G CA -0.554 44.543 45.100 -0.005 0.000 0.762 581 G HN 1.091 nan 8.290 nan 0.000 0.641 582 G N -0.176 108.619 108.800 -0.009 0.000 2.184 582 G HA2 0.071 4.067 3.960 0.061 0.000 0.264 582 G HA3 0.071 4.067 3.960 0.061 0.000 0.264 582 G C 1.103 175.991 174.900 -0.020 0.000 0.975 582 G CA 1.408 46.499 45.100 -0.016 0.000 0.642 582 G HN 2.500 nan 8.290 nan 0.000 0.536 583 S N -0.732 114.971 115.700 0.005 0.000 3.631 583 S HA -0.216 4.291 4.470 0.061 0.000 0.366 583 S C 0.521 175.109 174.600 -0.020 0.000 0.993 583 S CA 1.724 59.909 58.200 -0.025 0.000 1.167 583 S CB -0.939 62.116 63.200 -0.243 0.000 0.909 583 S HN 1.055 nan 8.310 nan 0.000 0.478 584 Q N 0.711 120.552 119.800 0.068 0.000 2.286 584 Q HA 0.297 4.674 4.340 0.061 0.000 0.257 584 Q C 0.555 176.611 176.000 0.095 0.000 0.941 584 Q CA -0.077 55.751 55.803 0.043 0.000 0.912 584 Q CB 0.634 29.379 28.738 0.011 0.000 1.192 584 Q HN 0.502 nan 8.270 nan 0.000 0.410 585 Q N 2.171 122.010 119.800 0.064 0.000 2.395 585 Q HA 0.318 4.695 4.340 0.061 0.000 0.271 585 Q C -0.145 175.841 176.000 -0.024 0.000 1.026 585 Q CA 0.292 56.145 55.803 0.084 0.000 0.900 585 Q CB 0.550 29.348 28.738 0.100 0.000 1.266 585 Q HN 0.573 nan 8.270 nan 0.000 0.430 586 I N -2.656 117.896 120.570 -0.029 0.000 2.894 586 I HA 0.525 4.732 4.170 0.061 0.000 0.302 586 I C -1.008 175.039 176.117 -0.116 0.000 1.188 586 I CA -0.964 60.266 61.300 -0.117 0.000 1.014 586 I CB 2.602 40.512 38.000 -0.150 0.000 1.242 586 I HN 0.252 nan 8.210 nan 0.000 0.430 587 S N 5.345 120.906 115.700 -0.232 0.000 2.498 587 S HA 0.694 5.201 4.470 0.061 0.000 0.324 587 S C -0.411 173.665 174.600 -0.875 0.000 1.071 587 S CA -0.595 57.374 58.200 -0.386 0.000 1.113 587 S CB 0.692 63.637 63.200 -0.425 0.000 0.976 587 S HN 0.384 nan 8.310 nan 0.000 0.462 588 L N 2.374 123.173 121.223 -0.707 0.000 2.333 588 L HA 0.647 5.024 4.340 0.061 0.000 0.269 588 L C -1.212 175.358 176.870 -0.500 0.000 1.010 588 L CA -0.957 53.420 54.840 -0.771 0.000 0.818 588 L CB 1.665 43.470 42.059 -0.422 0.000 1.306 588 L HN 0.668 nan 8.230 nan 0.000 0.430 589 W N 1.213 122.421 121.300 -0.152 0.000 2.361 589 W HA 0.589 5.286 4.660 0.061 0.000 0.314 589 W C 0.106 176.807 176.519 0.303 0.000 1.041 589 W CA -0.710 56.620 57.345 -0.024 0.000 1.241 589 W CB 1.636 30.825 29.460 -0.453 0.000 1.279 589 W HN 0.333 nan 8.180 nan 0.000 0.436 590 S N 2.133 118.145 115.700 0.521 0.000 2.502 590 S HA 0.160 4.666 4.470 0.061 0.000 0.304 590 S C 0.614 175.230 174.600 0.027 0.000 1.097 590 S CA -0.706 57.691 58.200 0.328 0.000 1.045 590 S CB 1.202 64.537 63.200 0.224 0.000 1.019 590 S HN 0.607 nan 8.310 nan 0.000 0.481 591 N N 3.418 121.718 118.700 -0.666 0.000 2.216 591 N HA 0.077 4.854 4.740 0.061 0.000 0.183 591 N C 0.559 175.552 175.510 -0.862 0.000 1.017 591 N CA 1.032 53.357 53.050 -1.209 0.000 0.861 591 N CB 0.059 37.274 38.487 -2.119 0.000 0.986 591 N HN 0.773 nan 8.380 nan 0.000 0.428 592 G N -2.183 106.117 108.800 -0.834 0.000 2.698 592 G HA2 0.480 4.477 3.960 0.061 0.000 0.293 592 G HA3 0.480 4.477 3.960 0.061 0.000 0.293 592 G C 0.193 174.588 174.900 -0.841 0.000 1.437 592 G CA -0.085 44.333 45.100 -1.136 0.000 0.852 592 G HN 0.180 nan 8.290 nan 0.000 0.499 593 G N -0.687 107.553 108.800 -0.935 0.000 2.664 593 G HA2 0.363 4.360 3.960 0.061 0.000 0.216 593 G HA3 0.363 4.360 3.960 0.061 0.000 0.216 593 G C 0.328 174.929 174.900 -0.498 0.000 1.243 593 G CA 0.216 44.542 45.100 -1.290 0.000 0.859 593 G HN 0.610 nan 8.290 nan 0.000 0.574 594 I N 0.735 121.168 120.570 -0.229 0.000 2.447 594 I HA 0.436 4.643 4.170 0.061 0.000 0.287 594 I C -0.907 175.297 176.117 0.145 0.000 1.023 594 I CA -0.291 60.966 61.300 -0.072 0.000 1.083 594 I CB 2.266 40.130 38.000 -0.227 0.000 1.245 594 I HN 0.152 nan 8.210 nan 0.000 0.434 595 M N 5.976 125.672 119.600 0.158 0.000 2.190 595 M HA 0.450 4.967 4.480 0.061 0.000 0.312 595 M C -1.106 175.245 176.300 0.085 0.000 0.990 595 M CA -0.148 55.202 55.300 0.084 0.000 0.927 595 M CB 1.685 34.350 32.600 0.108 0.000 1.571 595 M HN 0.556 nan 8.290 nan 0.000 0.427 596 S N 3.267 118.953 115.700 -0.024 0.000 2.478 596 S HA 0.420 4.927 4.470 0.061 0.000 0.312 596 S C -0.159 174.382 174.600 -0.099 0.000 1.094 596 S CA -0.473 57.743 58.200 0.027 0.000 1.081 596 S CB 1.129 64.422 63.200 0.155 0.000 1.007 596 S HN 0.909 nan 8.310 nan 0.000 0.475 597 E N 2.110 122.292 120.200 -0.029 0.000 2.538 597 E HA 0.148 4.535 4.350 0.061 0.000 0.207 597 E C -0.068 176.521 176.600 -0.019 0.000 1.002 597 E CA -0.166 56.188 56.400 -0.076 0.000 0.952 597 E CB 0.934 30.605 29.700 -0.050 0.000 1.031 597 E HN 0.527 nan 8.360 nan 0.000 0.476 598 S N 1.027 116.756 115.700 0.048 0.000 2.549 598 S HA -0.025 4.482 4.470 0.061 0.000 0.283 598 S C 1.073 175.727 174.600 0.090 0.000 1.320 598 S CA -0.253 57.989 58.200 0.070 0.000 1.058 598 S CB 0.680 63.900 63.200 0.033 0.000 0.882 598 S HN 0.066 nan 8.310 nan 0.000 0.498 599 Q N 2.813 122.641 119.800 0.047 0.000 2.444 599 Q HA 0.222 4.599 4.340 0.061 0.000 0.206 599 Q C 1.282 177.283 176.000 0.001 0.000 0.948 599 Q CA 0.747 56.562 55.803 0.019 0.000 0.946 599 Q CB -0.666 28.094 28.738 0.036 0.000 1.027 599 Q HN 1.049 nan 8.270 nan 0.000 0.513 600 G N 2.187 110.965 108.800 -0.037 0.000 2.760 600 G HA2 -0.189 3.808 3.960 0.061 0.000 0.246 600 G HA3 -0.189 3.808 3.960 0.061 0.000 0.246 600 G C -2.695 172.108 174.900 -0.161 0.000 1.359 600 G CA -0.713 44.263 45.100 -0.206 0.000 0.861 600 G HN 0.113 nan 8.290 nan 0.000 0.541 601 P HA 0.471 nan 4.420 nan 0.000 0.271 601 P C -0.411 176.363 177.300 -0.876 0.000 1.216 601 P CA -0.097 62.575 63.100 -0.713 0.000 0.771 601 P CB 1.491 32.596 31.700 -0.991 0.000 0.864 602 V N 4.476 123.806 119.914 -0.972 0.000 2.444 602 V HA 0.340 4.497 4.120 0.061 0.000 0.294 602 V C -0.347 175.332 176.094 -0.691 0.000 1.022 602 V CA -0.408 61.387 62.300 -0.842 0.000 0.850 602 V CB 1.780 32.905 31.823 -1.162 0.000 0.992 602 V HN 0.584 nan 8.190 nan 0.000 0.426 603 W N 6.013 127.168 121.300 -0.242 0.000 2.361 603 W HA 0.571 5.261 4.660 0.050 0.000 0.314 603 W C -0.884 175.438 176.519 -0.328 0.000 1.041 603 W CA -0.734 56.506 57.345 -0.175 0.000 1.241 603 W CB 1.734 31.068 29.460 -0.209 0.000 1.279 603 W HN 0.350 nan 8.180 nan 0.000 0.436 604 L N 6.101 127.307 121.223 -0.028 0.000 2.297 604 L HA 0.362 4.739 4.340 0.061 0.000 0.277 604 L C -0.185 176.643 176.870 -0.070 0.000 1.040 604 L CA -0.729 54.052 54.840 -0.098 0.000 0.867 604 L CB 0.667 42.709 42.059 -0.028 0.000 1.244 604 L HN 0.201 nan 8.230 nan 0.000 0.433 605 I N 3.193 123.670 120.570 -0.155 0.000 2.307 605 I HA 0.280 4.487 4.170 0.061 0.000 0.287 605 I C 1.202 177.286 176.117 -0.054 0.000 1.054 605 I CA -0.196 61.069 61.300 -0.059 0.000 1.218 605 I CB 0.531 38.420 38.000 -0.184 0.000 1.398 605 I HN 0.856 nan 8.210 nan 0.000 0.475 606 G N 4.365 113.200 108.800 0.058 0.000 2.176 606 G HA2 -0.249 3.747 3.960 0.061 0.000 0.252 606 G HA3 -0.249 3.747 3.960 0.061 0.000 0.252 606 G C 0.400 175.321 174.900 0.035 0.000 1.024 606 G CA 0.558 45.704 45.100 0.076 0.000 0.755 606 G HN 0.782 nan 8.290 nan 0.000 0.507 607 T N -2.303 112.288 114.554 0.061 0.000 2.849 607 T HA 0.849 5.235 4.350 0.061 0.000 0.284 607 T C 0.253 175.093 174.700 0.233 0.000 1.004 607 T CA 0.537 62.719 62.100 0.137 0.000 1.021 607 T CB 2.297 71.262 68.868 0.162 0.000 1.013 607 T HN 1.906 nan 8.240 nan 0.000 0.527 608 A N 0.738 123.730 122.820 0.287 0.000 2.539 608 A HA 0.752 5.109 4.320 0.061 0.000 0.296 608 A C -0.421 177.357 177.584 0.324 0.000 1.073 608 A CA -0.837 51.411 52.037 0.352 0.000 0.700 608 A CB 1.900 21.060 19.000 0.268 0.000 1.296 608 A HN 1.106 nan 8.150 nan 0.000 0.405 609 S N 0.602 116.440 115.700 0.230 0.000 2.677 609 S HA 0.619 5.125 4.470 0.061 0.000 0.283 609 S C -1.367 173.322 174.600 0.148 0.000 1.159 609 S CA -0.344 57.900 58.200 0.072 0.000 1.001 609 S CB 0.861 63.807 63.200 -0.424 0.000 1.032 609 S HN 0.645 nan 8.310 nan 0.000 0.487 610 E N 2.488 122.746 120.200 0.096 0.000 2.292 610 E HA 0.420 4.807 4.350 0.061 0.000 0.272 610 E C -1.007 175.219 176.600 -0.624 0.000 0.881 610 E CA -0.885 55.343 56.400 -0.286 0.000 0.754 610 E CB 1.496 30.907 29.700 -0.482 0.000 1.201 610 E HN 0.950 nan 8.360 nan 0.000 0.425 611 H N -0.381 118.552 119.070 -0.227 0.000 3.071 611 H HA -0.128 4.469 4.556 0.068 0.000 0.243 611 H C -0.359 174.671 175.328 -0.497 0.000 1.221 611 H CA 0.246 56.038 56.048 -0.425 0.000 1.109 611 H CB -1.433 27.985 29.762 -0.573 0.000 1.236 611 H HN 0.481 nan 8.280 nan 0.000 0.332 612 H N 0.198 119.205 119.070 -0.105 0.000 2.482 612 H HA 0.206 4.795 4.556 0.054 0.000 0.344 612 H C 1.450 176.697 175.328 -0.135 0.000 1.151 612 H CA 0.082 56.045 56.048 -0.142 0.000 1.300 612 H CB 1.487 31.091 29.762 -0.262 0.000 1.494 612 H HN 0.108 nan 8.280 nan 0.000 0.542 613 I N 1.121 121.697 120.570 0.010 0.000 2.233 613 I HA -0.237 3.970 4.170 0.061 0.000 0.243 613 I C 1.431 177.497 176.117 -0.086 0.000 1.093 613 I CA 1.430 62.747 61.300 0.029 0.000 1.380 613 I CB -0.096 38.013 38.000 0.182 0.000 1.067 613 I HN 0.539 nan 8.210 nan 0.000 0.413 614 N N -1.431 117.134 118.700 -0.225 0.000 2.402 614 N HA 0.025 4.802 4.740 0.061 0.000 0.174 614 N C -0.844 174.681 175.510 0.025 0.000 1.027 614 N CA 0.467 53.434 53.050 -0.138 0.000 0.891 614 N CB 0.428 38.837 38.487 -0.130 0.000 1.016 614 N HN 0.350 nan 8.380 nan 0.000 0.439 615 Y N -3.136 117.156 120.300 -0.014 0.000 2.620 615 Y HA 0.384 4.969 4.550 0.057 0.000 0.331 615 Y C -0.231 175.668 175.900 -0.001 0.000 1.173 615 Y CA -1.158 56.961 58.100 0.033 0.000 1.076 615 Y CB 0.676 39.153 38.460 0.030 0.000 1.336 615 Y HN -0.342 nan 8.280 nan 0.000 0.459 616 Q N 0.868 120.779 119.800 0.186 0.000 2.134 616 Q HA 0.179 4.555 4.340 0.061 0.000 0.195 616 Q C -0.702 175.284 176.000 -0.024 0.000 0.958 616 Q CA 1.311 57.145 55.803 0.053 0.000 0.840 616 Q CB 0.221 29.009 28.738 0.083 0.000 0.918 616 Q HN 0.791 nan 8.270 nan 0.000 0.467 617 Y N -0.575 119.829 120.300 0.175 0.000 2.391 617 Y HA 0.436 5.008 4.550 0.038 0.000 0.341 617 Y C -0.920 175.043 175.900 0.106 0.000 0.965 617 Y CA -1.260 56.927 58.100 0.145 0.000 1.067 617 Y CB 1.717 40.207 38.460 0.051 0.000 1.199 617 Y HN -0.113 nan 8.280 nan 0.000 0.450 618 F N 5.177 125.055 119.950 -0.119 0.000 2.496 618 F HA 0.558 5.120 4.527 0.058 0.000 0.341 618 F C -1.793 173.863 175.800 -0.240 0.000 1.134 618 F CA -2.062 55.677 58.000 -0.435 0.000 0.968 618 F CB 0.738 38.999 39.000 -1.231 0.000 1.205 618 F HN 0.353 nan 8.300 nan 0.000 0.436 619 L N 6.657 127.821 121.223 -0.099 0.000 2.257 619 L HA 0.461 4.837 4.340 0.061 0.000 0.290 619 L C -0.201 176.385 176.870 -0.473 0.000 1.044 619 L CA -0.521 54.135 54.840 -0.306 0.000 0.810 619 L CB 1.216 43.125 42.059 -0.249 0.000 1.193 619 L HN 0.532 nan 8.230 nan 0.000 0.425 620 K N 4.751 124.751 120.400 -0.666 0.000 2.483 620 K HA 0.240 4.596 4.320 0.061 0.000 0.256 620 K C -0.371 176.029 176.600 -0.332 0.000 0.961 620 K CA -0.540 55.363 56.287 -0.640 0.000 0.873 620 K CB 0.732 32.574 32.500 -1.097 0.000 1.107 620 K HN 0.603 nan 8.250 nan 0.000 0.432 621 N N 0.830 119.410 118.700 -0.199 0.000 2.721 621 N HA -0.220 4.556 4.740 0.061 0.000 0.249 621 N C -0.822 174.614 175.510 -0.123 0.000 1.072 621 N CA 1.193 54.174 53.050 -0.115 0.000 0.710 621 N CB -1.329 37.105 38.487 -0.090 0.000 0.993 621 N HN 0.627 nan 8.380 nan 0.000 0.547 622 A N -0.613 122.090 122.820 -0.195 0.000 2.269 622 A HA 0.926 5.283 4.320 0.061 0.000 0.319 622 A C 0.307 177.712 177.584 -0.299 0.000 1.110 622 A CA 0.272 52.161 52.037 -0.246 0.000 0.847 622 A CB 1.511 20.237 19.000 -0.456 0.000 1.161 622 A HN 0.682 nan 8.150 nan 0.000 0.497 623 A N 0.457 123.116 122.820 -0.267 0.000 2.572 623 A HA 0.660 5.017 4.320 0.061 0.000 0.295 623 A C -0.490 177.037 177.584 -0.095 0.000 1.072 623 A CA -0.656 51.127 52.037 -0.423 0.000 0.691 623 A CB 0.622 19.193 19.000 -0.715 0.000 1.291 623 A HN 1.331 nan 8.150 nan 0.000 0.404 624 N N 0.907 119.518 118.700 -0.147 0.000 2.681 624 N HA -0.149 4.628 4.740 0.061 0.000 0.259 624 N C -1.015 174.476 175.510 -0.032 0.000 1.066 624 N CA 1.208 54.211 53.050 -0.078 0.000 0.717 624 N CB -1.280 37.133 38.487 -0.122 0.000 0.885 624 N HN 0.747 nan 8.380 nan 0.000 0.547 625 H N -0.003 118.938 119.070 -0.215 0.000 2.469 625 H HA 0.437 5.029 4.556 0.060 0.000 0.342 625 H C -0.558 174.700 175.328 -0.116 0.000 1.115 625 H CA -0.439 55.481 56.048 -0.213 0.000 1.204 625 H CB 0.838 30.490 29.762 -0.184 0.000 1.492 625 H HN 0.310 nan 8.280 nan 0.000 0.499 626 Y N 3.604 123.824 120.300 -0.134 0.000 2.331 626 Y HA 0.529 5.111 4.550 0.054 0.000 0.338 626 Y C -1.169 174.744 175.900 0.023 0.000 0.992 626 Y CA -0.883 57.208 58.100 -0.015 0.000 1.121 626 Y CB 0.532 39.026 38.460 0.056 0.000 1.184 626 Y HN 0.566 nan 8.280 nan 0.000 0.469 627 I N 6.446 126.609 120.570 -0.678 0.000 2.468 627 I HA 0.640 4.846 4.170 0.061 0.000 0.284 627 I C -0.307 175.466 176.117 -0.572 0.000 1.038 627 I CA -0.648 60.372 61.300 -0.467 0.000 1.083 627 I CB 1.783 39.635 38.000 -0.247 0.000 1.223 627 I HN 0.860 nan 8.210 nan 0.000 0.443 628 G N 6.004 114.540 108.800 -0.439 0.000 2.717 628 G HA2 0.436 4.433 3.960 0.061 0.000 0.300 628 G HA3 0.436 4.433 3.960 0.061 0.000 0.300 628 G C -1.757 173.201 174.900 0.095 0.000 1.424 628 G CA -0.611 44.415 45.100 -0.123 0.000 1.033 628 G HN 0.486 nan 8.290 nan 0.000 0.577 629 L N 2.047 123.326 121.223 0.093 0.000 2.418 629 L HA 0.816 5.193 4.340 0.061 0.000 0.265 629 L C 0.598 177.466 176.870 -0.003 0.000 1.143 629 L CA -0.436 54.418 54.840 0.022 0.000 0.809 629 L CB 1.219 43.288 42.059 0.016 0.000 1.124 629 L HN 0.786 nan 8.230 nan 0.000 0.456 630 A N 4.244 127.044 122.820 -0.034 0.000 2.330 630 A HA 0.592 4.949 4.320 0.061 0.000 0.327 630 A C -1.110 176.553 177.584 0.130 0.000 1.155 630 A CA -0.527 51.539 52.037 0.048 0.000 0.803 630 A CB 1.434 20.361 19.000 -0.123 0.000 1.208 630 A HN 0.667 nan 8.150 nan 0.000 0.477 631 Q N 1.064 121.025 119.800 0.267 0.000 2.372 631 Q HA 0.688 5.065 4.340 0.061 0.000 0.273 631 Q C -1.159 175.046 176.000 0.342 0.000 1.078 631 Q CA -0.273 55.651 55.803 0.202 0.000 0.806 631 Q CB 2.316 31.116 28.738 0.103 0.000 1.332 631 Q HN 0.995 nan 8.270 nan 0.000 0.435 632 T N -0.181 114.523 114.554 0.250 0.000 2.883 632 T HA 0.702 5.089 4.350 0.061 0.000 0.301 632 T C -0.779 174.062 174.700 0.235 0.000 1.158 632 T CA -0.753 61.501 62.100 0.257 0.000 1.007 632 T CB 2.155 71.153 68.868 0.216 0.000 1.186 632 T HN 0.522 nan 8.240 nan 0.000 0.499 633 E N 0.462 120.804 120.200 0.237 0.000 2.314 633 E HA 0.456 4.843 4.350 0.061 0.000 0.272 633 E C -0.847 175.913 176.600 0.266 0.000 0.884 633 E CA -0.936 55.698 56.400 0.391 0.000 0.753 633 E CB 2.404 32.470 29.700 0.610 0.000 1.213 633 E HN 0.721 nan 8.360 nan 0.000 0.432 634 T N 3.704 118.447 114.554 0.315 0.000 2.918 634 T HA 0.179 4.565 4.350 0.061 0.000 0.302 634 T C -2.230 172.606 174.700 0.227 0.000 1.045 634 T CA -1.055 61.154 62.100 0.183 0.000 1.114 634 T CB 0.395 69.335 68.868 0.121 0.000 0.965 634 T HN 0.247 nan 8.240 nan 0.000 0.540 635 P HA 0.034 nan 4.420 nan 0.000 0.269 635 P C 0.033 177.015 177.300 -0.529 0.000 1.209 635 P CA -0.205 62.603 63.100 -0.486 0.000 0.776 635 P CB 0.502 31.613 31.700 -0.981 0.000 0.876 636 Y N 1.514 121.362 120.300 -0.754 0.000 2.516 636 Y HA -0.056 4.530 4.550 0.059 0.000 0.291 636 Y C 2.183 177.430 175.900 -1.088 0.000 1.131 636 Y CA 0.403 57.954 58.100 -0.916 0.000 1.281 636 Y CB -1.610 36.042 38.460 -1.346 0.000 1.013 636 Y HN 0.299 nan 8.280 nan 0.000 0.554 637 F N -0.303 119.317 119.950 -0.550 0.000 2.367 637 F HA 0.100 4.664 4.527 0.063 0.000 0.298 637 F C 0.826 176.576 175.800 -0.085 0.000 1.094 637 F CA -0.500 57.318 58.000 -0.305 0.000 1.409 637 F CB -1.279 37.767 39.000 0.076 0.000 1.064 637 F HN -0.157 nan 8.300 nan 0.000 0.528 638 Q N 3.348 123.041 119.800 -0.178 0.000 2.361 638 Q HA 0.073 4.450 4.340 0.061 0.000 0.276 638 Q C -1.777 174.227 176.000 0.007 0.000 1.022 638 Q CA -1.435 54.359 55.803 -0.015 0.000 0.898 638 Q CB 0.398 29.061 28.738 -0.125 0.000 1.246 638 Q HN 0.083 nan 8.270 nan 0.000 0.410 639 P HA 0.074 nan 4.420 nan 0.000 0.253 639 P C -0.947 176.398 177.300 0.075 0.000 1.459 639 P CA 0.121 63.243 63.100 0.037 0.000 0.908 639 P CB 0.261 31.965 31.700 0.006 0.000 1.470 640 N N 2.157 120.940 118.700 0.138 0.000 2.707 640 N HA 0.270 5.047 4.740 0.061 0.000 0.235 640 N C -2.418 173.199 175.510 0.179 0.000 1.028 640 N CA -1.611 51.519 53.050 0.134 0.000 0.906 640 N CB 0.746 39.318 38.487 0.143 0.000 1.131 640 N HN 0.234 nan 8.380 nan 0.000 0.509 641 P HA 0.235 nan 4.420 nan 0.000 0.284 641 P C -0.436 176.890 177.300 0.044 0.000 1.287 641 P CA -0.573 62.528 63.100 0.002 0.000 0.824 641 P CB 1.482 33.109 31.700 -0.122 0.000 1.180 642 N N 0.501 119.201 118.700 0.000 0.000 2.508 642 N HA 0.157 4.934 4.740 0.061 0.000 0.264 642 N C -2.080 173.422 175.510 -0.014 0.000 1.216 642 N CA -1.096 51.946 53.050 -0.012 0.000 0.943 642 N CB 0.033 38.502 38.487 -0.031 0.000 1.113 642 N HN 0.355 nan 8.380 nan 0.000 0.447 643 P HA 0.022 nan 4.420 nan 0.000 0.267 643 P C -2.177 175.111 177.300 -0.021 0.000 1.200 643 P CA -0.842 62.247 63.100 -0.019 0.000 0.772 643 P CB 0.235 31.900 31.700 -0.059 0.000 0.855 644 P HA 0.126 nan 4.420 nan 0.000 0.261 644 P C 0.243 177.578 177.300 0.060 0.000 1.268 644 P CA 0.102 63.218 63.100 0.027 0.000 0.833 644 P CB 0.158 31.877 31.700 0.032 0.000 1.231 645 A N 2.866 125.674 122.820 -0.019 0.000 2.498 645 A HA 0.247 4.604 4.320 0.061 0.000 0.239 645 A C -1.273 176.158 177.584 -0.256 0.000 1.068 645 A CA -0.744 51.219 52.037 -0.124 0.000 0.766 645 A CB -0.408 18.498 19.000 -0.157 0.000 1.003 645 A HN 0.073 nan 8.150 nan 0.000 0.497 646 P HA 0.123 nan 4.420 nan 0.000 0.257 646 P C -0.182 176.961 177.300 -0.262 0.000 1.325 646 P CA 0.091 62.884 63.100 -0.511 0.000 0.850 646 P CB -0.087 31.017 31.700 -0.994 0.000 1.324 647 F N 1.569 121.462 119.950 -0.096 0.000 2.390 647 F HA 0.270 4.834 4.527 0.062 0.000 0.307 647 F C 1.651 177.287 175.800 -0.273 0.000 1.227 647 F CA -0.728 57.109 58.000 -0.271 0.000 1.179 647 F CB 0.157 39.050 39.000 -0.178 0.000 1.280 647 F HN -0.216 nan 8.300 nan 0.000 0.548 648 I N -2.420 118.052 120.570 -0.163 0.000 2.750 648 I HA 0.524 4.730 4.170 0.061 0.000 0.308 648 I C -0.371 175.763 176.117 0.028 0.000 1.016 648 I CA -0.874 60.400 61.300 -0.044 0.000 1.098 648 I CB 1.585 39.576 38.000 -0.015 0.000 1.279 648 I HN 0.330 nan 8.210 nan 0.000 0.454 649 T N 3.537 118.119 114.554 0.047 0.000 2.934 649 T HA 0.026 4.413 4.350 0.061 0.000 0.306 649 T C 0.041 174.807 174.700 0.111 0.000 1.042 649 T CA 0.097 62.240 62.100 0.071 0.000 1.145 649 T CB -0.332 68.569 68.868 0.055 0.000 0.982 649 T HN 0.639 nan 8.240 nan 0.000 0.544 650 N N 1.330 120.125 118.700 0.158 0.000 2.549 650 N HA 0.103 4.880 4.740 0.061 0.000 0.281 650 N C 0.847 176.482 175.510 0.209 0.000 1.084 650 N CA -0.430 52.758 53.050 0.230 0.000 0.862 650 N CB 1.661 40.391 38.487 0.405 0.000 1.333 650 N HN 0.551 nan 8.380 nan 0.000 0.523 651 S N 2.814 118.600 115.700 0.143 0.000 2.515 651 S HA -0.007 4.500 4.470 0.061 0.000 0.231 651 S C 0.990 175.634 174.600 0.074 0.000 0.987 651 S CA 0.490 58.748 58.200 0.097 0.000 0.936 651 S CB 0.031 63.268 63.200 0.062 0.000 0.766 651 S HN 0.498 nan 8.310 nan 0.000 0.528 652 N N 0.773 119.515 118.700 0.071 0.000 2.333 652 N HA 0.189 4.966 4.740 0.061 0.000 0.178 652 N C 0.553 175.892 175.510 -0.286 0.000 1.018 652 N CA 0.955 53.913 53.050 -0.152 0.000 0.882 652 N CB -0.284 38.047 38.487 -0.261 0.000 0.984 652 N HN 0.549 nan 8.380 nan 0.000 0.434 653 F N 0.072 120.148 119.950 0.210 0.000 2.728 653 F HA 0.294 4.856 4.527 0.060 0.000 0.314 653 F C -0.032 175.960 175.800 0.321 0.000 1.094 653 F CA -0.489 57.662 58.000 0.251 0.000 1.217 653 F CB 0.759 39.942 39.000 0.304 0.000 1.056 653 F HN -0.298 nan 8.300 nan 0.000 0.577 654 D N 1.639 122.254 120.400 0.359 0.000 2.198 654 D HA 0.284 4.961 4.640 0.061 0.000 0.247 654 D C -2.374 173.875 176.300 -0.086 0.000 1.010 654 D CA -1.671 52.422 54.000 0.156 0.000 0.880 654 D CB 1.278 42.147 40.800 0.114 0.000 1.209 654 D HN -0.170 nan 8.370 nan 0.000 0.451 655 P HA 0.091 nan 4.420 nan 0.000 0.272 655 P C 0.435 177.627 177.300 -0.181 0.000 1.230 655 P CA -0.243 62.473 63.100 -0.640 0.000 0.788 655 P CB 0.821 31.962 31.700 -0.932 0.000 0.949 656 S N 0.052 115.692 115.700 -0.100 0.000 2.383 656 S HA -0.157 4.350 4.470 0.061 0.000 0.229 656 S C 0.755 175.338 174.600 -0.028 0.000 1.030 656 S CA 1.314 59.492 58.200 -0.037 0.000 1.002 656 S CB -0.389 62.794 63.200 -0.028 0.000 0.829 656 S HN 0.565 nan 8.310 nan 0.000 0.467 657 Q N 1.156 120.928 119.800 -0.046 0.000 2.431 657 Q HA 0.427 4.804 4.340 0.061 0.000 0.249 657 Q C -0.907 175.220 176.000 0.212 0.000 1.025 657 Q CA -0.214 55.617 55.803 0.046 0.000 0.835 657 Q CB 1.002 29.747 28.738 0.012 0.000 1.207 657 Q HN 0.356 nan 8.270 nan 0.000 0.490 658 L N 1.040 122.363 121.223 0.166 0.000 2.473 658 L HA 0.214 4.591 4.340 0.061 0.000 0.268 658 L C 1.139 178.092 176.870 0.138 0.000 1.215 658 L CA -0.247 54.699 54.840 0.175 0.000 0.823 658 L CB 0.179 42.267 42.059 0.049 0.000 1.099 658 L HN 0.661 nan 8.230 nan 0.000 0.483 659 G N 0.821 109.505 108.800 -0.192 0.000 2.484 659 G HA2 -0.011 3.986 3.960 0.061 0.000 0.235 659 G HA3 -0.011 3.986 3.960 0.061 0.000 0.235 659 G C -0.134 174.505 174.900 -0.435 0.000 1.282 659 G CA -0.283 44.344 45.100 -0.789 0.000 0.857 659 G HN 0.726 nan 8.290 nan 0.000 0.571 660 Q N 1.393 120.888 119.800 -0.508 0.000 2.553 660 Q HA 0.402 4.779 4.340 0.061 0.000 0.221 660 Q C 1.406 177.270 176.000 -0.225 0.000 1.219 660 Q CA 0.424 56.065 55.803 -0.269 0.000 0.955 660 Q CB -0.405 28.200 28.738 -0.222 0.000 1.399 660 Q HN 1.115 nan 8.270 nan 0.000 0.551 661 G N 3.872 112.573 108.800 -0.164 0.000 2.328 661 G HA2 -0.310 3.687 3.960 0.061 0.000 0.256 661 G HA3 -0.310 3.687 3.960 0.061 0.000 0.256 661 G C -0.274 174.549 174.900 -0.128 0.000 1.014 661 G CA 0.557 45.588 45.100 -0.114 0.000 0.620 661 G HN 0.635 nan 8.290 nan 0.000 0.530 662 D N -0.304 119.969 120.400 -0.212 0.000 2.756 662 D HA 0.671 5.348 4.640 0.061 0.000 0.226 662 D C 0.249 176.357 176.300 -0.321 0.000 1.186 662 D CA 0.196 54.071 54.000 -0.208 0.000 0.845 662 D CB 1.506 42.204 40.800 -0.170 0.000 1.610 662 D HN 0.705 nan 8.370 nan 0.000 0.465 663 A N 1.112 123.799 122.820 -0.223 0.000 2.561 663 A HA 0.120 4.477 4.320 0.061 0.000 0.234 663 A C -0.504 176.941 177.584 -0.232 0.000 1.055 663 A CA 0.244 52.161 52.037 -0.199 0.000 0.756 663 A CB -0.058 18.893 19.000 -0.081 0.000 0.986 663 A HN 0.542 nan 8.150 nan 0.000 0.505 664 W N 1.429 122.704 121.300 -0.042 0.000 2.181 664 W HA 0.362 5.056 4.660 0.057 0.000 0.335 664 W C 1.305 177.773 176.519 -0.084 0.000 1.310 664 W CA 0.226 57.526 57.345 -0.075 0.000 1.226 664 W CB 0.692 30.098 29.460 -0.089 0.000 1.155 664 W HN 0.845 nan 8.180 nan 0.000 0.565 665 A N 3.809 126.667 122.820 0.062 0.000 1.873 665 A HA -0.033 4.324 4.320 0.061 0.000 0.215 665 A C 0.725 178.165 177.584 -0.240 0.000 1.186 665 A CA 1.184 53.087 52.037 -0.224 0.000 0.616 665 A CB -0.156 18.454 19.000 -0.650 0.000 0.823 665 A HN 0.676 nan 8.150 nan 0.000 0.442 666 M N -0.946 118.515 119.600 -0.233 0.000 2.324 666 M HA 0.471 4.988 4.480 0.061 0.000 0.288 666 M C -1.378 174.863 176.300 -0.097 0.000 1.097 666 M CA -0.188 55.054 55.300 -0.096 0.000 0.928 666 M CB 2.249 34.763 32.600 -0.143 0.000 1.648 666 M HN 0.149 nan 8.290 nan 0.000 0.460 667 T N 3.585 118.070 114.554 -0.116 0.000 2.886 667 T HA 0.782 5.169 4.350 0.061 0.000 0.292 667 T C -1.854 172.789 174.700 -0.096 0.000 1.012 667 T CA -0.447 61.447 62.100 -0.343 0.000 0.982 667 T CB 1.396 69.801 68.868 -0.773 0.000 1.018 667 T HN 0.504 nan 8.240 nan 0.000 0.451 668 V N 5.408 125.241 119.914 -0.135 0.000 2.577 668 V HA 0.543 4.700 4.120 0.061 0.000 0.303 668 V C -0.618 175.453 176.094 -0.039 0.000 1.042 668 V CA -0.785 61.494 62.300 -0.035 0.000 0.872 668 V CB 1.823 33.636 31.823 -0.016 0.000 0.998 668 V HN 0.885 nan 8.190 nan 0.000 0.423 669 Q N 2.816 122.619 119.800 0.004 0.000 2.337 669 Q HA 0.437 4.814 4.340 0.061 0.000 0.270 669 Q C 0.090 176.072 176.000 -0.031 0.000 1.043 669 Q CA -0.834 54.969 55.803 0.000 0.000 0.794 669 Q CB 1.674 30.455 28.738 0.072 0.000 1.281 669 Q HN 0.767 nan 8.270 nan 0.000 0.446 670 N N 0.891 119.584 118.700 -0.011 0.000 2.714 670 N HA -0.184 4.593 4.740 0.061 0.000 0.252 670 N C -1.656 173.859 175.510 0.009 0.000 1.014 670 N CA 0.864 53.915 53.050 0.002 0.000 0.735 670 N CB -0.470 38.013 38.487 -0.007 0.000 0.924 670 N HN 0.485 nan 8.380 nan 0.000 0.540 671 S N 0.394 116.097 115.700 0.006 0.000 2.568 671 S HA 0.602 5.109 4.470 0.061 0.000 0.302 671 S C -0.608 174.031 174.600 0.064 0.000 1.082 671 S CA -0.790 57.394 58.200 -0.027 0.000 1.009 671 S CB 1.787 64.901 63.200 -0.143 0.000 1.069 671 S HN 0.491 nan 8.310 nan 0.000 0.500 672 H N -2.053 116.985 119.070 -0.053 0.000 2.980 672 H HA 0.553 5.148 4.556 0.064 0.000 0.367 672 H C 0.306 175.624 175.328 -0.017 0.000 1.206 672 H CA -0.393 55.644 56.048 -0.019 0.000 1.126 672 H CB 0.846 30.605 29.762 -0.004 0.000 1.838 672 H HN 0.946 nan 8.280 nan 0.000 0.552 673 G N 1.671 110.513 108.800 0.071 0.000 2.305 673 G HA2 -0.216 3.781 3.960 0.061 0.000 0.287 673 G HA3 -0.216 3.781 3.960 0.061 0.000 0.287 673 G C -0.291 174.590 174.900 -0.031 0.000 1.036 673 G CA 0.365 45.476 45.100 0.018 0.000 0.887 673 G HN 0.541 nan 8.290 nan 0.000 0.505 674 I N 0.190 120.737 120.570 -0.038 0.000 2.321 674 I HA 0.463 4.670 4.170 0.061 0.000 0.291 674 I C 0.093 176.183 176.117 -0.045 0.000 0.998 674 I CA -1.389 59.865 61.300 -0.075 0.000 1.227 674 I CB 1.262 39.165 38.000 -0.162 0.000 1.368 674 I HN 0.117 nan 8.210 nan 0.000 0.466 675 L N 8.896 130.117 121.223 -0.003 0.000 2.318 675 L HA 0.485 4.862 4.340 0.061 0.000 0.277 675 L C -0.711 176.137 176.870 -0.038 0.000 1.008 675 L CA -0.377 54.506 54.840 0.071 0.000 0.846 675 L CB 1.450 43.639 42.059 0.216 0.000 1.220 675 L HN 0.266 nan 8.230 nan 0.000 0.423 676 V N 6.249 126.086 119.914 -0.128 0.000 2.333 676 V HA 0.329 4.486 4.120 0.061 0.000 0.274 676 V C -0.543 175.628 176.094 0.128 0.000 1.028 676 V CA -0.181 62.024 62.300 -0.159 0.000 0.851 676 V CB 0.814 32.387 31.823 -0.418 0.000 1.000 676 V HN 0.647 nan 8.190 nan 0.000 0.456 677 F N 4.464 124.380 119.950 -0.057 0.000 2.453 677 F HA 0.716 5.275 4.527 0.053 0.000 0.358 677 F C 0.594 176.449 175.800 0.092 0.000 1.129 677 F CA 0.030 58.104 58.000 0.123 0.000 1.200 677 F CB 0.763 39.885 39.000 0.204 0.000 1.431 677 F HN 0.756 nan 8.300 nan 0.000 0.503 678 G N 3.351 112.097 108.800 -0.091 0.000 3.322 678 G HA2 0.432 4.429 3.960 0.061 0.000 0.686 678 G HA3 0.432 4.429 3.960 0.061 0.000 0.686 678 G C -1.389 173.454 174.900 -0.094 0.000 1.015 678 G CA -0.459 44.599 45.100 -0.069 0.000 0.826 678 G HN 1.367 nan 8.290 nan 0.000 0.538 679 A N 1.098 123.805 122.820 -0.188 0.000 2.549 679 A HA 1.072 5.429 4.320 0.061 0.000 0.297 679 A C 0.191 177.490 177.584 -0.476 0.000 1.061 679 A CA 0.116 51.849 52.037 -0.506 0.000 0.690 679 A CB 2.017 20.454 19.000 -0.938 0.000 1.287 679 A HN 2.464 nan 8.150 nan 0.000 0.402 680 G N 0.988 109.481 108.800 -0.511 0.000 3.003 680 G HA2 0.571 4.568 3.960 0.061 0.000 0.293 680 G HA3 0.571 4.568 3.960 0.061 0.000 0.293 680 G C -1.434 173.057 174.900 -0.683 0.000 1.553 680 G CA -0.191 44.724 45.100 -0.309 0.000 1.078 680 G HN 0.309 nan 8.290 nan 0.000 0.550 681 F N 2.490 122.197 119.950 -0.405 0.000 2.375 681 F HA 0.568 5.125 4.527 0.050 0.000 0.361 681 F C -0.684 175.045 175.800 -0.118 0.000 1.117 681 F CA -1.927 55.899 58.000 -0.290 0.000 1.037 681 F CB 1.260 40.232 39.000 -0.047 0.000 1.192 681 F HN 0.283 nan 8.300 nan 0.000 0.452 682 Y N 0.185 120.658 120.300 0.288 0.000 2.485 682 Y HA 0.630 5.215 4.550 0.058 0.000 0.345 682 Y C 0.091 175.972 175.900 -0.033 0.000 0.998 682 Y CA -1.972 56.144 58.100 0.027 0.000 1.059 682 Y CB 2.206 40.715 38.460 0.082 0.000 1.234 682 Y HN 0.391 nan 8.280 nan 0.000 0.461 683 S N 1.618 117.248 115.700 -0.116 0.000 2.733 683 S HA 0.557 5.064 4.470 0.061 0.000 0.294 683 S C -0.870 173.568 174.600 -0.270 0.000 1.149 683 S CA -0.428 57.737 58.200 -0.058 0.000 1.034 683 S CB 0.033 63.217 63.200 -0.027 0.000 1.015 683 S HN 0.531 nan 8.310 nan 0.000 0.486 684 F N 3.219 123.222 119.950 0.088 0.000 2.724 684 F HA 0.534 5.093 4.527 0.055 0.000 0.306 684 F C -0.098 175.355 175.800 -0.578 0.000 1.100 684 F CA -0.203 57.651 58.000 -0.242 0.000 1.255 684 F CB 0.558 39.342 39.000 -0.360 0.000 1.072 684 F HN 0.422 nan 8.300 nan 0.000 0.589 685 F N -1.337 118.656 119.950 0.072 0.000 2.613 685 F HA 0.505 5.066 4.527 0.058 0.000 0.314 685 F C 0.029 175.819 175.800 -0.017 0.000 1.075 685 F CA -1.271 56.725 58.000 -0.005 0.000 0.945 685 F CB 1.815 40.756 39.000 -0.100 0.000 1.310 685 F HN -0.493 nan 8.300 nan 0.000 0.467 686 S N 1.534 117.354 115.700 0.200 0.000 2.733 686 S HA 0.589 5.096 4.470 0.061 0.000 0.307 686 S C -0.261 174.423 174.600 0.140 0.000 1.127 686 S CA -0.003 58.269 58.200 0.120 0.000 1.097 686 S CB 0.487 63.729 63.200 0.070 0.000 1.003 686 S HN 1.465 nan 8.310 nan 0.000 0.477 687 A N 3.926 126.802 122.820 0.093 0.000 2.466 687 A HA -0.190 4.167 4.320 0.061 0.000 0.295 687 A C 0.520 178.237 177.584 0.222 0.000 1.465 687 A CA 1.461 53.570 52.037 0.120 0.000 0.744 687 A CB -2.506 16.590 19.000 0.160 0.000 1.098 687 A HN 1.727 nan 8.150 nan 0.000 0.402 688 Y N -3.205 117.184 120.300 0.147 0.000 4.916 688 Y HA -0.248 4.339 4.550 0.061 0.000 0.247 688 Y C 0.816 176.918 175.900 0.336 0.000 0.962 688 Y CA 1.532 59.694 58.100 0.103 0.000 1.933 688 Y CB -1.636 36.843 38.460 0.031 0.000 1.451 688 Y HN 0.920 nan 8.280 nan 0.000 0.539 689 N N 0.935 119.878 118.700 0.406 0.000 2.455 689 N HA 0.200 4.977 4.740 0.061 0.000 0.280 689 N C 0.973 176.616 175.510 0.221 0.000 1.055 689 N CA 0.798 54.018 53.050 0.283 0.000 0.961 689 N CB 1.358 39.948 38.487 0.171 0.000 1.121 689 N HN 0.306 nan 8.380 nan 0.000 0.476 690 T N -0.383 114.235 114.554 0.107 0.000 3.086 690 T HA 0.143 4.530 4.350 0.061 0.000 0.250 690 T C 1.699 176.370 174.700 -0.049 0.000 1.074 690 T CA 0.201 62.252 62.100 -0.081 0.000 0.988 690 T CB -0.028 68.766 68.868 -0.125 0.000 0.988 690 T HN 0.452 nan 8.240 nan 0.000 0.530 691 G N 1.755 110.554 108.800 -0.001 0.000 2.469 691 G HA2 -0.299 3.698 3.960 0.061 0.000 0.220 691 G HA3 -0.299 3.698 3.960 0.061 0.000 0.220 691 G C 1.836 176.714 174.900 -0.036 0.000 1.136 691 G CA 1.126 46.220 45.100 -0.010 0.000 0.759 691 G HN 0.839 nan 8.290 nan 0.000 0.562 692 c N -0.325 118.250 118.600 -0.043 0.000 2.422 692 c HA 0.063 4.670 4.570 0.061 0.000 0.286 692 c C 2.510 176.534 174.090 -0.110 0.000 1.412 692 c CA 0.691 56.979 56.329 -0.068 0.000 1.786 692 c CB -1.167 41.309 42.510 -0.056 0.000 1.835 692 c HN 0.522 nan 8.230 nan 0.000 0.533 693 Q N 1.426 121.157 119.800 -0.115 0.000 2.124 693 Q HA -0.117 4.260 4.340 0.061 0.000 0.202 693 Q C 2.593 178.486 176.000 -0.178 0.000 0.977 693 Q CA 1.957 57.668 55.803 -0.153 0.000 0.850 693 Q CB -0.187 28.503 28.738 -0.080 0.000 0.901 693 Q HN 0.776 nan 8.270 nan 0.000 0.429 694 S N 1.057 116.687 115.700 -0.118 0.000 2.338 694 S HA -0.076 4.431 4.470 0.061 0.000 0.218 694 S C -0.827 173.695 174.600 -0.130 0.000 1.032 694 S CA 1.299 59.432 58.200 -0.113 0.000 0.999 694 S CB -1.028 62.131 63.200 -0.068 0.000 0.905 694 S HN 0.383 nan 8.310 nan 0.000 0.439 695 P HA -0.026 nan 4.420 nan 0.000 0.234 695 P C -0.548 176.661 177.300 -0.151 0.000 1.167 695 P CA 0.676 63.706 63.100 -0.116 0.000 0.763 695 P CB -0.249 31.396 31.700 -0.090 0.000 0.835 696 Q N 0.104 119.794 119.800 -0.183 0.000 2.470 696 Q HA -0.159 4.218 4.340 0.061 0.000 0.294 696 Q C -0.301 175.586 176.000 -0.189 0.000 1.356 696 Q CA 0.610 56.277 55.803 -0.226 0.000 0.805 696 Q CB -2.478 26.104 28.738 -0.260 0.000 1.157 696 Q HN 0.514 nan 8.270 nan 0.000 0.431 697 N N -2.164 116.446 118.700 -0.149 0.000 2.517 697 N HA 0.166 4.943 4.740 0.061 0.000 0.285 697 N C 0.351 175.807 175.510 -0.090 0.000 1.528 697 N CA -0.220 52.759 53.050 -0.119 0.000 0.892 697 N CB -0.329 38.097 38.487 -0.101 0.000 1.356 697 N HN 0.199 nan 8.380 nan 0.000 0.495 698 c N 0.392 118.931 118.600 -0.101 0.000 2.413 698 c HA -0.085 4.522 4.570 0.061 0.000 0.277 698 c C 1.173 175.235 174.090 -0.047 0.000 1.265 698 c CA 1.070 57.359 56.329 -0.066 0.000 1.752 698 c CB -0.834 41.628 42.510 -0.079 0.000 1.998 698 c HN 0.743 nan 8.230 nan 0.000 0.489 699 Q N -0.758 119.006 119.800 -0.061 0.000 2.544 699 Q HA 0.357 4.734 4.340 0.061 0.000 0.291 699 Q C -0.150 175.823 176.000 -0.045 0.000 1.068 699 Q CA -0.577 55.191 55.803 -0.058 0.000 0.785 699 Q CB 1.030 29.723 28.738 -0.076 0.000 1.481 699 Q HN 0.076 nan 8.270 nan 0.000 0.430 700 N N -0.320 118.361 118.700 -0.031 0.000 2.305 700 N HA 0.004 4.781 4.740 0.061 0.000 0.179 700 N C -0.474 175.115 175.510 0.132 0.000 1.019 700 N CA 1.147 54.231 53.050 0.057 0.000 0.869 700 N CB 0.689 39.219 38.487 0.072 0.000 1.000 700 N HN 0.523 nan 8.380 nan 0.000 0.431 701 Q N -0.826 118.983 119.800 0.014 0.000 2.451 701 Q HA 0.417 4.794 4.340 0.061 0.000 0.281 701 Q C -0.320 175.675 176.000 -0.008 0.000 1.099 701 Q CA -0.452 55.392 55.803 0.067 0.000 0.806 701 Q CB 2.766 31.548 28.738 0.073 0.000 1.419 701 Q HN 0.160 nan 8.270 nan 0.000 0.427 702 I N -0.563 120.114 120.570 0.177 0.000 5.183 702 I HA 0.152 4.359 4.170 0.061 0.000 0.343 702 I C -1.150 175.144 176.117 0.295 0.000 1.230 702 I CA 0.247 61.658 61.300 0.185 0.000 1.473 702 I CB 1.741 39.805 38.000 0.106 0.000 1.569 702 I HN 0.324 nan 8.210 nan 0.000 0.544 703 V N 2.366 122.381 119.914 0.168 0.000 2.487 703 V HA 0.500 4.657 4.120 0.061 0.000 0.298 703 V C -0.948 174.876 176.094 -0.450 0.000 1.028 703 V CA -0.595 61.645 62.300 -0.100 0.000 0.860 703 V CB 1.503 33.230 31.823 -0.160 0.000 0.991 703 V HN 0.218 nan 8.190 nan 0.000 0.427 704 N N 2.928 121.213 118.700 -0.693 0.000 2.284 704 N HA 0.755 5.532 4.740 0.061 0.000 0.300 704 N C -0.952 174.146 175.510 -0.687 0.000 1.047 704 N CA -0.373 52.100 53.050 -0.961 0.000 0.821 704 N CB 2.211 39.684 38.487 -1.690 0.000 1.337 704 N HN 0.623 nan 8.380 nan 0.000 0.482 705 V N -0.086 119.448 119.914 -0.632 0.000 2.914 705 V HA 0.696 4.853 4.120 0.061 0.000 0.314 705 V C -0.114 175.823 176.094 -0.262 0.000 1.084 705 V CA -0.987 61.109 62.300 -0.340 0.000 0.963 705 V CB 1.638 33.350 31.823 -0.185 0.000 1.025 705 V HN 0.727 nan 8.190 nan 0.000 0.432 706 D N 2.221 122.536 120.400 -0.142 0.000 2.398 706 D HA 0.257 4.934 4.640 0.061 0.000 0.264 706 D C 1.129 177.421 176.300 -0.013 0.000 1.263 706 D CA 0.135 54.082 54.000 -0.088 0.000 1.037 706 D CB 0.607 41.372 40.800 -0.060 0.000 1.101 706 D HN 0.437 nan 8.370 nan 0.000 0.551 707 S N -1.458 114.246 115.700 0.006 0.000 2.406 707 S HA -0.092 4.414 4.470 0.061 0.000 0.228 707 S C 1.731 176.380 174.600 0.082 0.000 1.020 707 S CA 1.119 59.349 58.200 0.049 0.000 0.965 707 S CB -0.297 62.922 63.200 0.030 0.000 0.798 707 S HN 0.641 nan 8.310 nan 0.000 0.488 708 S N 0.104 115.841 115.700 0.062 0.000 2.505 708 S HA 0.240 4.747 4.470 0.061 0.000 0.216 708 S C 0.633 175.285 174.600 0.086 0.000 1.018 708 S CA -0.415 57.825 58.200 0.065 0.000 0.911 708 S CB -0.018 63.203 63.200 0.036 0.000 0.818 708 S HN 0.137 nan 8.310 nan 0.000 0.497 709 S N 3.236 118.993 115.700 0.095 0.000 2.558 709 S HA 0.102 4.609 4.470 0.061 0.000 0.293 709 S C -0.235 174.459 174.600 0.157 0.000 1.292 709 S CA 0.084 58.349 58.200 0.109 0.000 1.063 709 S CB 0.342 63.595 63.200 0.088 0.000 0.831 709 S HN 0.556 nan 8.310 nan 0.000 0.499 710 D N 2.714 123.198 120.400 0.140 0.000 2.494 710 D HA 0.415 5.092 4.640 0.061 0.000 0.217 710 D C -0.534 175.843 176.300 0.130 0.000 1.153 710 D CA -0.128 53.957 54.000 0.141 0.000 0.954 710 D CB -0.202 40.683 40.800 0.142 0.000 1.034 710 D HN 0.445 nan 8.370 nan 0.000 0.518 711 I N 1.641 122.321 120.570 0.183 0.000 2.769 711 I HA 0.738 4.945 4.170 0.061 0.000 0.298 711 I C -1.657 174.596 176.117 0.227 0.000 1.128 711 I CA -0.811 60.569 61.300 0.133 0.000 1.031 711 I CB 1.861 39.920 38.000 0.098 0.000 1.235 711 I HN 0.366 nan 8.210 nan 0.000 0.423 712 A N 6.047 128.901 122.820 0.056 0.000 2.414 712 A HA 0.801 5.158 4.320 0.061 0.000 0.306 712 A C -1.813 175.646 177.584 -0.210 0.000 1.054 712 A CA -0.350 51.715 52.037 0.046 0.000 0.724 712 A CB 1.002 20.037 19.000 0.058 0.000 1.267 712 A HN 0.568 nan 8.150 nan 0.000 0.418 713 F N 0.894 120.750 119.950 -0.156 0.000 2.482 713 F HA 0.630 5.191 4.527 0.058 0.000 0.331 713 F C -0.809 174.654 175.800 -0.562 0.000 1.115 713 F CA -0.063 57.817 58.000 -0.199 0.000 0.955 713 F CB 1.887 40.827 39.000 -0.100 0.000 1.136 713 F HN 0.503 nan 8.300 nan 0.000 0.452 714 Y N 0.664 121.079 120.300 0.192 0.000 2.391 714 Y HA 0.371 4.956 4.550 0.058 0.000 0.341 714 Y C 0.504 176.363 175.900 -0.068 0.000 0.965 714 Y CA -1.392 56.738 58.100 0.051 0.000 1.067 714 Y CB 2.080 40.551 38.460 0.019 0.000 1.199 714 Y HN 0.623 nan 8.280 nan 0.000 0.450 715 S N 2.299 118.046 115.700 0.079 0.000 3.711 715 S HA -0.197 4.310 4.470 0.061 0.000 0.374 715 S C -0.721 173.884 174.600 0.009 0.000 0.969 715 S CA -0.129 58.089 58.200 0.029 0.000 1.198 715 S CB -0.969 62.202 63.200 -0.048 0.000 0.903 715 S HN 0.565 nan 8.310 nan 0.000 0.493 716 L N 3.280 124.507 121.223 0.007 0.000 2.295 716 L HA 0.583 4.960 4.340 0.061 0.000 0.288 716 L C 0.257 177.096 176.870 -0.051 0.000 1.079 716 L CA 0.557 55.355 54.840 -0.070 0.000 0.830 716 L CB 0.902 42.913 42.059 -0.079 0.000 1.200 716 L HN 0.289 nan 8.230 nan 0.000 0.438 717 T N 3.882 118.404 114.554 -0.053 0.000 2.794 717 T HA 0.676 5.063 4.350 0.061 0.000 0.280 717 T C -0.001 174.747 174.700 0.079 0.000 0.987 717 T CA -0.301 61.838 62.100 0.066 0.000 0.993 717 T CB 1.185 70.177 68.868 0.206 0.000 0.939 717 T HN 0.785 nan 8.240 nan 0.000 0.449 718 T N -0.565 114.046 114.554 0.095 0.000 2.916 718 T HA 0.799 5.186 4.350 0.061 0.000 0.292 718 T C -0.852 173.882 174.700 0.056 0.000 1.064 718 T CA -0.773 61.408 62.100 0.136 0.000 1.011 718 T CB 1.470 70.389 68.868 0.085 0.000 1.152 718 T HN 0.300 nan 8.240 nan 0.000 0.510 719 V N 2.030 121.962 119.914 0.031 0.000 2.531 719 V HA 0.392 4.549 4.120 0.061 0.000 0.301 719 V C -0.718 175.198 176.094 -0.296 0.000 1.034 719 V CA -0.587 61.554 62.300 -0.264 0.000 0.865 719 V CB 1.389 32.896 31.823 -0.527 0.000 0.995 719 V HN 1.132 nan 8.190 nan 0.000 0.424 720 D N 2.373 122.566 120.400 -0.346 0.000 2.751 720 D HA -0.142 4.535 4.640 0.061 0.000 0.233 720 D C 0.312 176.495 176.300 -0.194 0.000 1.149 720 D CA 1.340 55.163 54.000 -0.296 0.000 0.682 720 D CB -0.936 39.663 40.800 -0.334 0.000 1.068 720 D HN 0.623 nan 8.370 nan 0.000 0.429 721 T N -0.884 113.577 114.554 -0.155 0.000 2.824 721 T HA 0.359 4.746 4.350 0.061 0.000 0.282 721 T C 1.490 176.108 174.700 -0.137 0.000 0.993 721 T CA -0.547 61.492 62.100 -0.102 0.000 0.967 721 T CB 2.085 70.932 68.868 -0.035 0.000 0.960 721 T HN -0.121 nan 8.240 nan 0.000 0.441 722 T N 1.612 116.073 114.554 -0.155 0.000 2.674 722 T HA -0.058 4.328 4.350 0.061 0.000 0.265 722 T C 0.223 174.627 174.700 -0.493 0.000 1.039 722 T CA 1.259 63.158 62.100 -0.335 0.000 1.150 722 T CB -0.093 68.580 68.868 -0.326 0.000 0.864 722 T HN 0.593 nan 8.240 nan 0.000 0.427 723 W N 2.253 123.523 121.300 -0.050 0.000 2.283 723 W HA 0.441 5.137 4.660 0.060 0.000 0.317 723 W C 1.190 177.684 176.519 -0.041 0.000 1.042 723 W CA -0.838 56.480 57.345 -0.044 0.000 1.348 723 W CB 0.483 29.920 29.460 -0.038 0.000 1.216 723 W HN 0.186 nan 8.180 nan 0.000 0.404 724 Q N 1.767 121.635 119.800 0.113 0.000 2.291 724 Q HA -0.054 4.322 4.340 0.061 0.000 0.205 724 Q C -0.079 175.986 176.000 0.107 0.000 0.970 724 Q CA 0.888 56.731 55.803 0.067 0.000 0.876 724 Q CB 0.366 29.097 28.738 -0.011 0.000 0.935 724 Q HN 0.413 nan 8.270 nan 0.000 0.455 725 F N -0.184 119.717 119.950 -0.082 0.000 2.604 725 F HA 0.321 4.883 4.527 0.059 0.000 0.316 725 F C -1.354 174.334 175.800 -0.186 0.000 1.136 725 F CA -0.644 57.202 58.000 -0.256 0.000 0.989 725 F CB 1.916 40.629 39.000 -0.479 0.000 1.258 725 F HN -0.367 nan 8.300 nan 0.000 0.451 726 S N 3.659 118.833 115.700 -0.876 0.000 2.542 726 S HA 0.816 5.323 4.470 0.061 0.000 0.293 726 S C -1.421 172.684 174.600 -0.825 0.000 1.089 726 S CA -0.785 57.049 58.200 -0.609 0.000 0.961 726 S CB 2.202 65.221 63.200 -0.302 0.000 1.062 726 S HN 0.437 nan 8.310 nan 0.000 0.483 727 V N 2.692 122.329 119.914 -0.461 0.000 2.448 727 V HA 0.422 4.579 4.120 0.061 0.000 0.295 727 V C 0.026 175.978 176.094 -0.237 0.000 1.025 727 V CA -0.789 61.310 62.300 -0.334 0.000 0.859 727 V CB 0.872 32.622 31.823 -0.121 0.000 0.988 727 V HN 1.092 nan 8.190 nan 0.000 0.431 728 N N 3.745 122.302 118.700 -0.237 0.000 2.721 728 N HA -0.248 4.529 4.740 0.061 0.000 0.249 728 N C 0.717 176.135 175.510 -0.153 0.000 1.072 728 N CA 0.536 53.482 53.050 -0.175 0.000 0.710 728 N CB -0.597 37.826 38.487 -0.107 0.000 0.993 728 N HN 1.489 nan 8.380 nan 0.000 0.547 729 A N -1.242 121.464 122.820 -0.190 0.000 2.860 729 A HA -0.306 4.050 4.320 0.061 0.000 0.267 729 A C 0.119 177.661 177.584 -0.071 0.000 1.421 729 A CA 1.557 53.579 52.037 -0.025 0.000 0.831 729 A CB -1.301 17.763 19.000 0.106 0.000 1.041 729 A HN 0.602 nan 8.150 nan 0.000 0.623 730 Q N -0.433 119.263 119.800 -0.175 0.000 2.330 730 Q HA 0.507 4.884 4.340 0.061 0.000 0.269 730 Q C 0.532 176.303 176.000 -0.382 0.000 1.022 730 Q CA -0.169 55.476 55.803 -0.264 0.000 0.796 730 Q CB 1.889 30.496 28.738 -0.218 0.000 1.271 730 Q HN 0.941 nan 8.270 nan 0.000 0.450 731 G N 1.107 109.511 108.800 -0.660 0.000 2.305 731 G HA2 0.200 4.197 3.960 0.061 0.000 0.243 731 G HA3 0.200 4.197 3.960 0.061 0.000 0.243 731 G C 0.398 174.895 174.900 -0.671 0.000 1.288 731 G CA -0.156 44.437 45.100 -0.845 0.000 0.901 731 G HN 0.474 nan 8.290 nan 0.000 0.516 732 V N 3.324 123.166 119.914 -0.119 0.000 2.996 732 V HA 0.232 4.389 4.120 0.061 0.000 0.235 732 V C 0.939 177.233 176.094 0.333 0.000 1.205 732 V CA 0.564 62.911 62.300 0.077 0.000 1.225 732 V CB -0.084 31.829 31.823 0.150 0.000 0.995 732 V HN 0.592 nan 8.190 nan 0.000 0.484 733 I N 1.996 122.770 120.570 0.340 0.000 2.330 733 I HA 0.326 4.533 4.170 0.061 0.000 0.289 733 I C -0.336 175.904 176.117 0.205 0.000 1.001 733 I CA -0.071 61.318 61.300 0.149 0.000 1.193 733 I CB 1.052 38.886 38.000 -0.277 0.000 1.345 733 I HN 0.174 nan 8.210 nan 0.000 0.461 734 N N 5.759 124.470 118.700 0.018 0.000 2.472 734 N HA 0.124 4.901 4.740 0.061 0.000 0.277 734 N C 1.235 176.589 175.510 -0.259 0.000 1.081 734 N CA -0.390 52.396 53.050 -0.440 0.000 0.973 734 N CB 1.393 39.455 38.487 -0.709 0.000 1.105 734 N HN 0.631 nan 8.380 nan 0.000 0.470 735 R N 1.403 121.731 120.500 -0.287 0.000 2.170 735 R HA -0.162 4.215 4.340 0.061 0.000 0.242 735 R C 1.677 177.882 176.300 -0.159 0.000 1.145 735 R CA 1.996 57.984 56.100 -0.188 0.000 0.984 735 R CB -0.505 29.677 30.300 -0.196 0.000 0.869 735 R HN 0.560 nan 8.270 nan 0.000 0.455 736 S N 0.640 116.221 115.700 -0.199 0.000 2.419 736 S HA -0.165 4.342 4.470 0.061 0.000 0.235 736 S C 1.390 175.942 174.600 -0.081 0.000 1.019 736 S CA 1.491 59.603 58.200 -0.147 0.000 0.982 736 S CB -0.507 62.595 63.200 -0.164 0.000 0.789 736 S HN 0.609 nan 8.310 nan 0.000 0.490 737 N N 1.666 120.344 118.700 -0.038 0.000 2.463 737 N HA 0.126 4.903 4.740 0.061 0.000 0.181 737 N C 0.021 175.576 175.510 0.076 0.000 1.078 737 N CA 0.776 53.854 53.050 0.047 0.000 0.902 737 N CB -0.042 38.537 38.487 0.153 0.000 0.970 737 N HN 0.617 nan 8.380 nan 0.000 0.451 738 N N -0.091 118.633 118.700 0.040 0.000 2.497 738 N HA 0.158 4.935 4.740 0.061 0.000 0.284 738 N C -2.843 172.680 175.510 0.021 0.000 1.459 738 N CA -0.896 52.194 53.050 0.067 0.000 0.899 738 N CB 1.092 39.632 38.487 0.088 0.000 1.316 738 N HN 0.104 nan 8.380 nan 0.000 0.500 739 P HA 0.101 nan 4.420 nan 0.000 0.271 739 P C -0.348 176.961 177.300 0.014 0.000 1.216 739 P CA 0.289 63.370 63.100 -0.032 0.000 0.771 739 P CB 1.008 32.670 31.700 -0.063 0.000 0.864 740 N N 1.083 119.798 118.700 0.026 0.000 2.471 740 N HA 0.296 5.073 4.740 0.061 0.000 0.270 740 N C 0.337 175.919 175.510 0.120 0.000 1.490 740 N CA 0.470 53.569 53.050 0.082 0.000 0.850 740 N CB 0.481 39.032 38.487 0.107 0.000 1.411 740 N HN 0.682 nan 8.380 nan 0.000 0.488 741 G N 0.576 109.428 108.800 0.087 0.000 2.460 741 G HA2 -0.271 3.726 3.960 0.061 0.000 0.207 741 G HA3 -0.271 3.726 3.960 0.061 0.000 0.207 741 G C 0.503 175.458 174.900 0.091 0.000 1.170 741 G CA -0.160 45.023 45.100 0.138 0.000 1.151 741 G HN 0.140 nan 8.290 nan 0.000 0.575 742 F N 2.436 122.383 119.950 -0.004 0.000 2.171 742 F HA 0.446 5.011 4.527 0.062 0.000 0.300 742 F C 1.850 177.435 175.800 -0.358 0.000 1.090 742 F CA 2.647 60.558 58.000 -0.147 0.000 1.293 742 F CB -0.278 38.684 39.000 -0.063 0.000 1.013 742 F HN 0.896 nan 8.300 nan 0.000 0.486 743 A N -0.531 122.167 122.820 -0.203 0.000 2.282 743 A HA 0.499 4.856 4.320 0.061 0.000 0.324 743 A C -1.125 176.397 177.584 -0.104 0.000 1.119 743 A CA -0.684 51.190 52.037 -0.272 0.000 0.880 743 A CB 0.456 19.276 19.000 -0.299 0.000 1.294 743 A HN 0.199 nan 8.150 nan 0.000 0.493 744 D N 0.268 120.624 120.400 -0.074 0.000 2.481 744 D HA 0.569 5.246 4.640 0.061 0.000 0.244 744 D C -1.243 175.072 176.300 0.025 0.000 1.057 744 D CA 0.061 54.043 54.000 -0.029 0.000 0.848 744 D CB 1.967 42.724 40.800 -0.073 0.000 1.388 744 D HN 0.346 nan 8.370 nan 0.000 0.475 745 T N 1.351 115.939 114.554 0.057 0.000 2.879 745 T HA 0.427 4.813 4.350 0.061 0.000 0.290 745 T C 0.259 175.014 174.700 0.092 0.000 0.993 745 T CA -0.486 61.663 62.100 0.081 0.000 0.975 745 T CB 1.075 70.018 68.868 0.126 0.000 0.981 745 T HN 0.183 nan 8.240 nan 0.000 0.439 746 I N 2.995 123.599 120.570 0.057 0.000 2.304 746 I HA 0.172 4.379 4.170 0.061 0.000 0.291 746 I C 1.547 177.727 176.117 0.104 0.000 1.018 746 I CA -0.259 61.093 61.300 0.086 0.000 1.260 746 I CB 1.372 39.328 38.000 -0.073 0.000 1.390 746 I HN 0.696 nan 8.210 nan 0.000 0.475 747 T N 4.895 119.535 114.554 0.143 0.000 2.777 747 T HA 0.054 4.441 4.350 0.061 0.000 0.266 747 T C 0.600 175.376 174.700 0.126 0.000 1.040 747 T CA 1.007 63.173 62.100 0.111 0.000 1.141 747 T CB 0.108 69.016 68.868 0.065 0.000 0.868 747 T HN 0.704 nan 8.240 nan 0.000 0.444 748 A N -0.309 122.569 122.820 0.096 0.000 2.547 748 A HA 0.598 4.955 4.320 0.061 0.000 0.297 748 A C -2.278 175.295 177.584 -0.018 0.000 1.056 748 A CA -0.788 51.246 52.037 -0.004 0.000 0.688 748 A CB 1.180 20.231 19.000 0.085 0.000 1.282 748 A HN 0.409 nan 8.150 nan 0.000 0.400 749 W N 2.133 123.222 121.300 -0.351 0.000 2.839 749 W HA 0.631 5.327 4.660 0.060 0.000 0.334 749 W C -0.250 176.093 176.519 -0.293 0.000 1.064 749 W CA 0.107 57.240 57.345 -0.352 0.000 1.236 749 W CB 2.131 31.231 29.460 -0.601 0.000 1.405 749 W HN 1.029 nan 8.180 nan 0.000 0.478 750 T N 1.965 115.904 114.554 -1.024 0.000 2.916 750 T HA 0.343 4.730 4.350 0.061 0.000 0.292 750 T C 0.489 174.246 174.700 -1.572 0.000 1.064 750 T CA -0.777 60.734 62.100 -0.982 0.000 1.011 750 T CB 2.094 70.739 68.868 -0.371 0.000 1.152 750 T HN 0.541 nan 8.240 nan 0.000 0.510 751 R N 1.167 121.072 120.500 -0.992 0.000 2.081 751 R HA 0.088 4.465 4.340 0.061 0.000 0.235 751 R C 0.520 176.651 176.300 -0.283 0.000 1.131 751 R CA 1.498 57.251 56.100 -0.578 0.000 0.960 751 R CB -0.426 29.805 30.300 -0.115 0.000 0.856 751 R HN 0.702 nan 8.270 nan 0.000 0.436 752 N N 0.000 118.586 118.700 -0.191 0.000 1.763 752 N HA 0.000 4.777 4.740 0.061 0.000 0.220 752 N CA 0.000 53.006 53.050 -0.074 0.000 0.885 752 N CB 0.000 38.459 38.487 -0.047 0.000 1.341 752 N HN 0.000 nan 8.380 nan 0.000 0.667