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 2va8_1_B DATA FIRST_RESID -2 DATA SEQUENCE LEWMPIEDLK LPSNVIEIIK KRGIKKLNPP QTEAVKKGLL EGNRLLLTSP DATA SEQUENCE TGSGKTLIAE MGIISFLLKN GGKAIYVTPL RALTNEKYLT FKDWELIGFK DATA SEQUENCE VAMTSGDYDT DDAWLKNYDI IITTYEKLDS LWRHRPEWLN EVNYFVLDEL DATA SEQUENCE HYLNDPERGP VVESVTIRAK RRNLLALSAT ISNYKQIAKW LGAEPVATNW DATA SEQUENCE RPVPLIEGVI YPERKKKEYN VIFKDNTTKK VHGDDAIIAY TLDSLSKNGQ DATA SEQUENCE VLVFRNSRKM AESTALKIAN YMNFVSLDEN ALSEILKQLD DIEEGGSDEK DATA SEQUENCE ELLKSLISKG VAYHHAGLSK ALRDLIEEGF RQRKIKVIVA TPTLAAGVNL DATA SEQUENCE PARTVIIGDI XXXXXXXXXX XXXIPIMEYK QMSGRAGRPG FDQIGESIVV DATA SEQUENCE VRDKEDVDRV FKKYVLSDVE PIESKLGSER AFYTFLLGIL SAEGNLSEKQ DATA SEQUENCE LENFAYESLL AKQLVDVYFD RAIRWLLEHS FIKEEGNTFA LTNFGKRVAD DATA SEQUENCE LYINPFTADI IRKGLEGHKA ScELAYLHLL AFTPDGPLVS VGRNEEEELI DATA SEQUENCE ELLEDLDcEL LIEEPYEEDE YSLYINALKV ALIMKDWMDE VDEDTILSKY DATA SEQUENCE NIGSGDLRNM VETMDWLTYS AYHLSRELKL NEHADKLRIL NLRVRDGIKE DATA SEQUENCE ELLELVQISG VGRKRARLLY NNGIKELGDV VMNPDKVKNL LGQKLGEKVV DATA SEQUENCE QEAARLLN 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 -2 L HA 0.000 nan 4.340 nan 0.000 0.249 -2 L C 0.000 176.924 176.870 0.090 0.000 1.165 -2 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 -2 L CB 0.000 42.109 42.059 0.083 0.000 0.961 -1 E N -0.773 119.440 120.200 0.022 0.000 2.202 -1 E HA 0.406 4.741 4.350 -0.026 0.000 0.272 -1 E C -1.381 175.265 176.600 0.076 0.000 0.951 -1 E CA -0.864 55.606 56.400 0.117 0.000 0.813 -1 E CB 1.187 30.917 29.700 0.051 0.000 1.151 -1 E HN 0.252 nan 8.360 nan 0.000 0.398 0 W N 3.570 124.816 121.300 -0.089 0.000 2.227 0 W HA 0.300 4.945 4.660 -0.025 0.000 0.308 0 W C 0.076 176.558 176.519 -0.061 0.000 0.882 0 W CA -1.100 56.189 57.345 -0.095 0.000 1.707 0 W CB 0.474 29.886 29.460 -0.080 0.000 1.782 0 W HN 0.464 nan 8.180 nan 0.000 0.385 1 M N 6.156 125.805 119.600 0.082 0.000 2.336 1 M HA -0.001 4.464 4.480 -0.026 0.000 0.371 1 M C -1.779 174.563 176.300 0.069 0.000 1.542 1 M CA -0.460 54.872 55.300 0.053 0.000 0.959 1 M CB 0.658 33.263 32.600 0.007 0.000 2.033 1 M HN -0.032 nan 8.290 nan 0.000 0.472 2 P HA 0.024 nan 4.420 nan 0.000 0.271 2 P C 0.455 177.779 177.300 0.040 0.000 1.216 2 P CA 0.141 63.275 63.100 0.056 0.000 0.776 2 P CB 0.113 31.837 31.700 0.041 0.000 0.881 3 I N -0.229 120.366 120.570 0.041 0.000 2.700 3 I HA -0.164 3.991 4.170 -0.026 0.000 0.261 3 I C 1.616 177.750 176.117 0.028 0.000 1.219 3 I CA 1.212 62.533 61.300 0.035 0.000 1.463 3 I CB -0.887 37.138 38.000 0.041 0.000 1.092 3 I HN 0.166 nan 8.210 nan 0.000 0.452 4 E N 1.769 121.984 120.200 0.025 0.000 2.110 4 E HA -0.204 4.130 4.350 -0.026 0.000 0.193 4 E C 1.497 178.107 176.600 0.015 0.000 0.988 4 E CA 1.435 57.846 56.400 0.019 0.000 0.804 4 E CB -0.339 29.370 29.700 0.016 0.000 0.745 4 E HN 0.609 nan 8.360 nan 0.000 0.458 5 D N 0.449 120.859 120.400 0.016 0.000 2.350 5 D HA -0.033 4.591 4.640 -0.026 0.000 0.216 5 D C 0.655 176.960 176.300 0.008 0.000 0.968 5 D CA 0.282 54.289 54.000 0.012 0.000 0.894 5 D CB -0.078 40.730 40.800 0.013 0.000 0.909 5 D HN 0.113 nan 8.370 nan 0.000 0.520 6 L N 1.030 122.259 121.223 0.010 0.000 2.462 6 L HA 0.038 4.362 4.340 -0.026 0.000 0.272 6 L C 0.818 177.689 176.870 0.002 0.000 1.166 6 L CA 0.103 54.946 54.840 0.005 0.000 0.880 6 L CB 0.616 42.681 42.059 0.010 0.000 1.142 6 L HN -0.308 nan 8.230 nan 0.000 0.473 7 K N 5.921 126.318 120.400 -0.005 0.000 2.480 7 K HA 0.369 4.673 4.320 -0.026 0.000 0.241 7 K C -0.921 175.671 176.600 -0.014 0.000 1.261 7 K CA 0.128 56.410 56.287 -0.009 0.000 1.193 7 K CB -0.067 32.426 32.500 -0.012 0.000 1.598 7 K HN 0.431 nan 8.250 nan 0.000 0.278 8 L N 1.651 122.870 121.223 -0.007 0.000 2.466 8 L HA 0.443 4.767 4.340 -0.026 0.000 0.258 8 L C -2.280 174.593 176.870 0.005 0.000 0.973 8 L CA -2.420 52.415 54.840 -0.007 0.000 0.826 8 L CB 2.358 44.412 42.059 -0.008 0.000 1.372 8 L HN 0.239 nan 8.230 nan 0.000 0.409 9 P HA 0.080 nan 4.420 nan 0.000 0.268 9 P C 0.242 177.558 177.300 0.027 0.000 1.208 9 P CA -0.064 63.044 63.100 0.012 0.000 0.777 9 P CB 0.810 32.516 31.700 0.009 0.000 0.875 10 S N 1.142 116.855 115.700 0.022 0.000 2.399 10 S HA -0.150 4.304 4.470 -0.026 0.000 0.231 10 S C 1.623 176.247 174.600 0.040 0.000 1.022 10 S CA 1.478 59.694 58.200 0.026 0.000 0.983 10 S CB -0.711 62.498 63.200 0.015 0.000 0.803 10 S HN 0.694 nan 8.310 nan 0.000 0.480 11 N N 1.644 120.370 118.700 0.042 0.000 2.244 11 N HA -0.060 4.664 4.740 -0.026 0.000 0.183 11 N C 1.463 177.043 175.510 0.117 0.000 1.016 11 N CA 0.977 54.062 53.050 0.058 0.000 0.866 11 N CB -0.825 37.687 38.487 0.042 0.000 0.980 11 N HN 0.300 nan 8.380 nan 0.000 0.430 12 V N 1.246 121.244 119.914 0.141 0.000 2.379 12 V HA -0.050 4.055 4.120 -0.026 0.000 0.245 12 V C 2.440 178.667 176.094 0.222 0.000 1.044 12 V CA 0.983 63.429 62.300 0.243 0.000 1.036 12 V CB -0.391 31.512 31.823 0.134 0.000 0.664 12 V HN 0.201 nan 8.190 nan 0.000 0.453 13 I N 0.074 120.716 120.570 0.120 0.000 2.315 13 I HA -0.206 3.948 4.170 -0.026 0.000 0.248 13 I C 2.546 178.705 176.117 0.072 0.000 1.117 13 I CA 1.437 62.790 61.300 0.089 0.000 1.404 13 I CB -0.217 37.815 38.000 0.053 0.000 1.071 13 I HN 0.328 nan 8.210 nan 0.000 0.419 14 E N 1.220 121.454 120.200 0.057 0.000 2.204 14 E HA -0.186 4.148 4.350 -0.026 0.000 0.195 14 E C 2.026 178.627 176.600 0.003 0.000 0.990 14 E CA 1.232 57.648 56.400 0.026 0.000 0.821 14 E CB 0.020 29.730 29.700 0.016 0.000 0.750 14 E HN 0.298 nan 8.360 nan 0.000 0.477 15 I N 0.429 121.007 120.570 0.013 0.000 2.286 15 I HA -0.177 3.977 4.170 -0.026 0.000 0.245 15 I C 2.243 178.289 176.117 -0.118 0.000 1.104 15 I CA 0.928 62.163 61.300 -0.109 0.000 1.397 15 I CB -0.878 36.976 38.000 -0.244 0.000 1.072 15 I HN 0.202 nan 8.210 nan 0.000 0.417 16 I N 0.670 121.248 120.570 0.014 0.000 2.286 16 I HA -0.297 3.857 4.170 -0.026 0.000 0.248 16 I C 2.526 178.646 176.117 0.006 0.000 1.115 16 I CA 1.288 62.610 61.300 0.036 0.000 1.392 16 I CB -0.393 37.676 38.000 0.116 0.000 1.065 16 I HN 0.161 nan 8.210 nan 0.000 0.418 17 K N 0.928 121.334 120.400 0.009 0.000 2.147 17 K HA -0.184 4.120 4.320 -0.026 0.000 0.205 17 K C 2.231 178.820 176.600 -0.018 0.000 1.049 17 K CA 1.025 57.313 56.287 0.002 0.000 0.936 17 K CB 0.028 32.532 32.500 0.007 0.000 0.722 17 K HN 0.037 nan 8.250 nan 0.000 0.446 18 K N 0.862 121.238 120.400 -0.040 0.000 2.211 18 K HA -0.114 4.191 4.320 -0.026 0.000 0.203 18 K C 1.576 178.141 176.600 -0.058 0.000 1.050 18 K CA 1.140 57.394 56.287 -0.056 0.000 0.945 18 K CB 0.108 32.558 32.500 -0.083 0.000 0.732 18 K HN 0.103 nan 8.250 nan 0.000 0.451 19 R N -1.010 119.454 120.500 -0.060 0.000 2.307 19 R HA -0.012 4.312 4.340 -0.026 0.000 0.199 19 R C 1.012 177.299 176.300 -0.021 0.000 1.000 19 R CA 0.637 56.708 56.100 -0.048 0.000 1.023 19 R CB 0.107 30.376 30.300 -0.052 0.000 0.908 19 R HN 0.386 nan 8.270 nan 0.000 0.473 20 G N 0.969 109.760 108.800 -0.014 0.000 2.132 20 G HA2 -0.254 3.691 3.960 -0.026 0.000 0.228 20 G HA3 -0.254 3.691 3.960 -0.026 0.000 0.228 20 G C 0.033 174.941 174.900 0.014 0.000 1.000 20 G CA -0.391 44.706 45.100 -0.004 0.000 0.693 20 G HN 0.213 nan 8.290 nan 0.000 0.515 21 I N -0.233 120.350 120.570 0.021 0.000 2.331 21 I HA 0.433 4.588 4.170 -0.026 0.000 0.292 21 I C 1.084 177.227 176.117 0.043 0.000 0.998 21 I CA -0.499 60.827 61.300 0.043 0.000 1.267 21 I CB 1.640 39.668 38.000 0.047 0.000 1.386 21 I HN -0.001 nan 8.210 nan 0.000 0.476 22 K N 4.019 124.453 120.400 0.056 0.000 2.391 22 K HA 0.301 4.605 4.320 -0.026 0.000 0.197 22 K C -0.262 176.381 176.600 0.071 0.000 1.087 22 K CA 0.407 56.724 56.287 0.050 0.000 1.012 22 K CB 0.598 33.119 32.500 0.035 0.000 0.925 22 K HN 0.364 nan 8.250 nan 0.000 0.547 23 K N 0.468 120.935 120.400 0.111 0.000 2.498 23 K HA 0.395 4.699 4.320 -0.026 0.000 0.254 23 K C -1.134 175.555 176.600 0.147 0.000 0.933 23 K CA -0.573 55.808 56.287 0.157 0.000 0.806 23 K CB 2.217 34.868 32.500 0.252 0.000 1.301 23 K HN -0.140 nan 8.250 nan 0.000 0.432 24 L N 2.393 123.659 121.223 0.071 0.000 2.371 24 L HA 0.211 4.536 4.340 -0.026 0.000 0.272 24 L C 0.506 177.221 176.870 -0.259 0.000 1.124 24 L CA -0.742 54.068 54.840 -0.051 0.000 0.816 24 L CB 0.371 42.386 42.059 -0.073 0.000 1.129 24 L HN 0.567 nan 8.230 nan 0.000 0.448 25 N N 3.135 121.574 118.700 -0.434 0.000 2.305 25 N HA -0.044 4.681 4.740 -0.026 0.000 0.232 25 N C -1.609 173.229 175.510 -1.120 0.000 1.274 25 N CA -1.007 51.461 53.050 -0.970 0.000 0.870 25 N CB 0.320 38.439 38.487 -0.613 0.000 1.105 25 N HN 0.321 nan 8.380 nan 0.000 0.436 26 P HA -0.129 nan 4.420 nan 0.000 0.214 26 P C -1.287 175.635 177.300 -0.631 0.000 1.163 26 P CA 2.014 64.452 63.100 -1.104 0.000 0.889 26 P CB -0.601 30.300 31.700 -1.331 0.000 0.790 27 P HA -0.118 nan 4.420 nan 0.000 0.221 27 P C 1.546 178.733 177.300 -0.188 0.000 1.150 27 P CA 1.485 64.440 63.100 -0.242 0.000 0.800 27 P CB -0.320 31.325 31.700 -0.091 0.000 0.787 28 Q N -0.120 119.538 119.800 -0.236 0.000 2.084 28 Q HA -0.107 4.217 4.340 -0.026 0.000 0.202 28 Q C 2.344 178.259 176.000 -0.142 0.000 0.978 28 Q CA 2.494 58.206 55.803 -0.151 0.000 0.844 28 Q CB -0.718 27.930 28.738 -0.150 0.000 0.898 28 Q HN 0.393 nan 8.270 nan 0.000 0.426 29 T N -1.595 112.834 114.554 -0.210 0.000 2.812 29 T HA -0.152 4.183 4.350 -0.026 0.000 0.264 29 T C 1.721 176.353 174.700 -0.114 0.000 1.042 29 T CA 1.256 63.264 62.100 -0.153 0.000 1.140 29 T CB -0.192 68.567 68.868 -0.182 0.000 0.870 29 T HN 0.219 nan 8.240 nan 0.000 0.445 30 E N 2.297 122.414 120.200 -0.138 0.000 2.110 30 E HA -0.017 4.318 4.350 -0.026 0.000 0.193 30 E C 2.294 178.862 176.600 -0.053 0.000 0.988 30 E CA 1.409 57.755 56.400 -0.091 0.000 0.804 30 E CB -0.880 28.759 29.700 -0.102 0.000 0.745 30 E HN 0.607 nan 8.360 nan 0.000 0.458 31 A N 0.173 122.962 122.820 -0.052 0.000 1.883 31 A HA -0.168 4.136 4.320 -0.026 0.000 0.217 31 A C 2.502 180.082 177.584 -0.006 0.000 1.186 31 A CA 1.818 53.845 52.037 -0.016 0.000 0.624 31 A CB -0.832 18.163 19.000 -0.007 0.000 0.822 31 A HN 0.227 nan 8.150 nan 0.000 0.444 32 V N -0.012 119.890 119.914 -0.021 0.000 2.453 32 V HA -0.218 3.886 4.120 -0.026 0.000 0.247 32 V C 2.508 178.596 176.094 -0.009 0.000 1.048 32 V CA 2.277 64.569 62.300 -0.013 0.000 1.049 32 V CB -0.612 31.198 31.823 -0.021 0.000 0.672 32 V HN 0.702 nan 8.190 nan 0.000 0.457 33 K N 0.450 120.840 120.400 -0.018 0.000 2.097 33 K HA -0.173 4.131 4.320 -0.026 0.000 0.206 33 K C 1.957 178.557 176.600 -0.001 0.000 1.049 33 K CA 1.492 57.772 56.287 -0.012 0.000 0.933 33 K CB -0.084 32.404 32.500 -0.020 0.000 0.717 33 K HN 0.304 nan 8.250 nan 0.000 0.442 34 K N -1.130 119.271 120.400 0.002 0.000 2.458 34 K HA 0.055 4.360 4.320 -0.026 0.000 0.194 34 K C 0.281 176.896 176.600 0.026 0.000 1.024 34 K CA 0.523 56.819 56.287 0.014 0.000 1.108 34 K CB 0.636 33.145 32.500 0.015 0.000 0.846 34 K HN 0.486 nan 8.250 nan 0.000 0.518 35 G N 0.910 109.725 108.800 0.025 0.000 2.154 35 G HA2 -0.222 3.722 3.960 -0.026 0.000 0.186 35 G HA3 -0.222 3.722 3.960 -0.026 0.000 0.186 35 G C 0.535 175.464 174.900 0.048 0.000 1.000 35 G CA 0.075 45.195 45.100 0.034 0.000 0.664 35 G HN 0.242 nan 8.290 nan 0.000 0.513 36 L N 0.670 121.921 121.223 0.046 0.000 2.021 36 L HA -0.041 4.283 4.340 -0.026 0.000 0.215 36 L C 2.633 179.535 176.870 0.053 0.000 1.074 36 L CA 2.929 57.809 54.840 0.066 0.000 0.760 36 L CB -0.356 41.733 42.059 0.050 0.000 0.889 36 L HN 0.424 nan 8.230 nan 0.000 0.433 37 L N -1.130 120.105 121.223 0.019 0.000 2.217 37 L HA -0.115 4.210 4.340 -0.026 0.000 0.211 37 L C 2.112 178.977 176.870 -0.009 0.000 1.107 37 L CA 0.766 55.600 54.840 -0.009 0.000 0.783 37 L CB -0.582 41.465 42.059 -0.020 0.000 0.919 37 L HN 0.278 nan 8.230 nan 0.000 0.442 38 E N 0.316 120.526 120.200 0.016 0.000 2.481 38 E HA 0.075 4.409 4.350 -0.026 0.000 0.195 38 E C 1.266 177.910 176.600 0.073 0.000 1.047 38 E CA 0.606 57.019 56.400 0.022 0.000 0.867 38 E CB 0.121 29.836 29.700 0.025 0.000 0.858 38 E HN 0.408 nan 8.360 nan 0.000 0.513 39 G N 1.368 110.238 108.800 0.117 0.000 2.212 39 G HA2 -0.287 3.657 3.960 -0.026 0.000 0.255 39 G HA3 -0.287 3.657 3.960 -0.026 0.000 0.255 39 G C -0.536 174.495 174.900 0.218 0.000 1.062 39 G CA -0.188 45.054 45.100 0.237 0.000 0.815 39 G HN 0.196 nan 8.290 nan 0.000 0.497 40 N N -0.045 118.743 118.700 0.147 0.000 2.492 40 N HA 0.329 5.054 4.740 -0.026 0.000 0.262 40 N C 0.686 176.270 175.510 0.123 0.000 1.202 40 N CA -0.222 52.897 53.050 0.115 0.000 0.926 40 N CB 0.489 39.024 38.487 0.079 0.000 1.078 40 N HN 0.469 nan 8.380 nan 0.000 0.454 41 R N 2.804 123.362 120.500 0.096 0.000 2.457 41 R HA 0.112 4.436 4.340 -0.026 0.000 0.335 41 R C -0.891 175.445 176.300 0.059 0.000 1.003 41 R CA 0.163 56.303 56.100 0.067 0.000 1.003 41 R CB -0.303 30.018 30.300 0.036 0.000 0.950 41 R HN 0.500 nan 8.270 nan 0.000 0.428 42 L N 5.227 126.488 121.223 0.063 0.000 2.346 42 L HA 0.451 4.775 4.340 -0.026 0.000 0.274 42 L C -0.844 176.061 176.870 0.058 0.000 1.007 42 L CA -1.306 53.571 54.840 0.061 0.000 0.818 42 L CB 1.768 43.867 42.059 0.066 0.000 1.284 42 L HN 0.458 nan 8.230 nan 0.000 0.424 43 L N 3.581 124.844 121.223 0.066 0.000 2.287 43 L HA 0.546 4.871 4.340 -0.026 0.000 0.287 43 L C -1.183 175.725 176.870 0.063 0.000 1.022 43 L CA -0.120 54.767 54.840 0.078 0.000 0.814 43 L CB 1.254 43.377 42.059 0.107 0.000 1.217 43 L HN 0.437 nan 8.230 nan 0.000 0.420 44 L N 4.858 126.120 121.223 0.065 0.000 2.298 44 L HA 0.597 4.922 4.340 -0.026 0.000 0.284 44 L C -0.186 176.712 176.870 0.048 0.000 1.013 44 L CA 0.266 55.133 54.840 0.046 0.000 0.824 44 L CB 1.884 43.978 42.059 0.059 0.000 1.221 44 L HN 0.651 nan 8.230 nan 0.000 0.418 45 T N 2.628 117.183 114.554 0.002 0.000 2.797 45 T HA 0.813 5.148 4.350 -0.026 0.000 0.279 45 T C -0.919 173.780 174.700 -0.002 0.000 0.991 45 T CA -0.594 61.503 62.100 -0.006 0.000 0.979 45 T CB 1.246 70.069 68.868 -0.076 0.000 0.943 45 T HN 0.675 nan 8.240 nan 0.000 0.444 46 S N 2.989 118.704 115.700 0.026 0.000 2.614 46 S HA 0.532 4.986 4.470 -0.026 0.000 0.280 46 S C -3.379 171.247 174.600 0.043 0.000 1.111 46 S CA -1.356 56.874 58.200 0.051 0.000 0.847 46 S CB 0.689 63.946 63.200 0.094 0.000 1.079 46 S HN 0.354 nan 8.310 nan 0.000 0.452 47 P HA 0.129 nan 4.420 nan 0.000 0.273 47 P C 1.499 178.817 177.300 0.031 0.000 1.252 47 P CA 0.252 63.355 63.100 0.005 0.000 0.809 47 P CB 0.046 31.730 31.700 -0.026 0.000 1.017 48 T N -2.444 112.122 114.554 0.020 0.000 2.569 48 T HA -0.132 4.203 4.350 -0.026 0.000 0.263 48 T C 1.618 176.362 174.700 0.074 0.000 1.074 48 T CA 1.475 63.605 62.100 0.051 0.000 1.176 48 T CB -1.665 67.229 68.868 0.044 0.000 0.863 48 T HN 0.520 nan 8.240 nan 0.000 0.410 49 G N 0.563 109.398 108.800 0.058 0.000 3.530 49 G HA2 0.352 4.297 3.960 -0.026 0.000 0.269 49 G HA3 0.352 4.297 3.960 -0.026 0.000 0.269 49 G C 0.728 175.687 174.900 0.099 0.000 1.314 49 G CA -0.320 44.827 45.100 0.077 0.000 1.441 49 G HN 0.489 nan 8.290 nan 0.000 0.595 50 S N 0.044 115.820 115.700 0.127 0.000 2.634 50 S HA 0.326 4.780 4.470 -0.026 0.000 0.221 50 S C 1.755 176.472 174.600 0.195 0.000 0.952 50 S CA 0.361 58.694 58.200 0.222 0.000 0.930 50 S CB 0.129 63.470 63.200 0.235 0.000 0.780 50 S HN 1.147 nan 8.310 nan 0.000 0.498 51 G N 2.236 111.123 108.800 0.145 0.000 2.198 51 G HA2 -0.287 3.657 3.960 -0.026 0.000 0.257 51 G HA3 -0.287 3.657 3.960 -0.026 0.000 0.257 51 G C 0.714 175.675 174.900 0.101 0.000 1.042 51 G CA 0.446 45.613 45.100 0.112 0.000 0.791 51 G HN 0.474 nan 8.290 nan 0.000 0.502 52 K N -0.760 119.714 120.400 0.123 0.000 2.209 52 K HA -0.088 4.216 4.320 -0.026 0.000 0.204 52 K C 2.628 179.323 176.600 0.159 0.000 1.048 52 K CA 1.668 58.037 56.287 0.137 0.000 0.940 52 K CB -0.184 32.411 32.500 0.159 0.000 0.729 52 K HN 0.465 nan 8.250 nan 0.000 0.451 53 T N 1.923 116.568 114.554 0.152 0.000 2.684 53 T HA -0.162 4.173 4.350 -0.026 0.000 0.267 53 T C 1.683 176.434 174.700 0.084 0.000 1.036 53 T CA 1.121 63.308 62.100 0.146 0.000 1.148 53 T CB -0.210 68.725 68.868 0.113 0.000 0.863 53 T HN 0.109 nan 8.240 nan 0.000 0.436 54 L N 0.891 122.152 121.223 0.063 0.000 2.131 54 L HA 0.089 4.413 4.340 -0.026 0.000 0.210 54 L C 2.056 178.952 176.870 0.042 0.000 1.092 54 L CA 1.324 56.191 54.840 0.044 0.000 0.759 54 L CB -0.654 41.435 42.059 0.050 0.000 0.903 54 L HN 0.276 nan 8.230 nan 0.000 0.435 55 I N -0.477 120.132 120.570 0.065 0.000 2.226 55 I HA -0.281 3.873 4.170 -0.026 0.000 0.245 55 I C 2.556 178.740 176.117 0.112 0.000 1.100 55 I CA 1.207 62.551 61.300 0.072 0.000 1.374 55 I CB -0.628 37.419 38.000 0.079 0.000 1.057 55 I HN 0.338 nan 8.210 nan 0.000 0.413 56 A N 0.263 123.187 122.820 0.172 0.000 1.930 56 A HA -0.190 4.115 4.320 -0.026 0.000 0.217 56 A C 2.227 179.936 177.584 0.209 0.000 1.175 56 A CA 1.472 53.679 52.037 0.283 0.000 0.627 56 A CB -0.490 18.795 19.000 0.476 0.000 0.815 56 A HN 0.422 nan 8.150 nan 0.000 0.443 57 E N -0.496 119.702 120.200 -0.003 0.000 2.051 57 E HA -0.176 4.158 4.350 -0.026 0.000 0.192 57 E C 2.107 178.515 176.600 -0.320 0.000 0.991 57 E CA 1.516 57.737 56.400 -0.300 0.000 0.799 57 E CB -0.285 29.261 29.700 -0.256 0.000 0.748 57 E HN 0.638 nan 8.360 nan 0.000 0.449 58 M N 0.179 119.678 119.600 -0.169 0.000 2.159 58 M HA -0.084 4.380 4.480 -0.026 0.000 0.263 58 M C 2.418 178.647 176.300 -0.118 0.000 1.063 58 M CA 1.436 56.639 55.300 -0.162 0.000 1.110 58 M CB -0.378 32.182 32.600 -0.066 0.000 1.374 58 M HN 0.196 nan 8.290 nan 0.000 0.411 59 G N 0.725 109.521 108.800 -0.006 0.000 2.404 59 G HA2 -0.152 3.792 3.960 -0.026 0.000 0.215 59 G HA3 -0.152 3.792 3.960 -0.026 0.000 0.215 59 G C 1.480 176.302 174.900 -0.130 0.000 1.174 59 G CA 0.580 45.716 45.100 0.060 0.000 0.780 59 G HN 0.358 nan 8.290 nan 0.000 0.537 60 I N 0.656 121.239 120.570 0.022 0.000 2.142 60 I HA -0.130 4.024 4.170 -0.026 0.000 0.240 60 I C 2.609 178.549 176.117 -0.295 0.000 1.078 60 I CA 0.546 61.803 61.300 -0.072 0.000 1.343 60 I CB -0.119 37.947 38.000 0.109 0.000 1.046 60 I HN 0.067 nan 8.210 nan 0.000 0.405 61 I N 0.786 121.113 120.570 -0.405 0.000 2.113 61 I HA -0.286 3.869 4.170 -0.026 0.000 0.238 61 I C 2.930 178.892 176.117 -0.257 0.000 1.070 61 I CA 2.117 63.128 61.300 -0.482 0.000 1.332 61 I CB -1.549 36.028 38.000 -0.705 0.000 1.044 61 I HN 0.343 nan 8.210 nan 0.000 0.402 62 S N 0.959 116.531 115.700 -0.215 0.000 2.370 62 S HA -0.269 4.185 4.470 -0.026 0.000 0.226 62 S C 2.191 176.690 174.600 -0.167 0.000 1.033 62 S CA 1.253 59.364 58.200 -0.149 0.000 1.011 62 S CB -1.393 61.737 63.200 -0.117 0.000 0.852 62 S HN 0.386 nan 8.310 nan 0.000 0.457 63 F N 2.151 121.866 119.950 -0.391 0.000 2.102 63 F HA 0.097 4.609 4.527 -0.025 0.000 0.298 63 F C 2.061 177.706 175.800 -0.258 0.000 1.105 63 F CA 1.435 59.175 58.000 -0.433 0.000 1.239 63 F CB -0.233 38.222 39.000 -0.907 0.000 0.991 63 F HN 0.153 nan 8.300 nan 0.000 0.474 64 L N -0.411 120.766 121.223 -0.076 0.000 2.217 64 L HA -0.172 4.152 4.340 -0.026 0.000 0.211 64 L C 2.231 179.141 176.870 0.066 0.000 1.107 64 L CA 0.675 55.500 54.840 -0.025 0.000 0.783 64 L CB -0.527 41.392 42.059 -0.232 0.000 0.919 64 L HN 0.245 nan 8.230 nan 0.000 0.442 65 L N -0.488 120.763 121.223 0.047 0.000 2.109 65 L HA -0.127 4.198 4.340 -0.026 0.000 0.207 65 L C 2.499 179.334 176.870 -0.058 0.000 1.086 65 L CA 0.834 55.713 54.840 0.065 0.000 0.760 65 L CB -0.300 41.791 42.059 0.054 0.000 0.910 65 L HN 0.205 nan 8.230 nan 0.000 0.437 66 K N -0.415 119.886 120.400 -0.166 0.000 2.211 66 K HA 0.154 4.459 4.320 -0.026 0.000 0.201 66 K C 0.377 176.826 176.600 -0.252 0.000 1.052 66 K CA 0.468 56.633 56.287 -0.203 0.000 0.973 66 K CB -0.171 32.185 32.500 -0.239 0.000 0.766 66 K HN 0.326 nan 8.250 nan 0.000 0.466 67 N N 0.070 118.542 118.700 -0.379 0.000 2.381 67 N HA 0.293 5.017 4.740 -0.026 0.000 0.294 67 N C 0.299 175.716 175.510 -0.155 0.000 1.216 67 N CA -0.341 52.510 53.050 -0.332 0.000 0.803 67 N CB 1.770 39.876 38.487 -0.634 0.000 1.372 67 N HN 0.008 nan 8.380 nan 0.000 0.500 68 G N -0.782 107.990 108.800 -0.045 0.000 2.873 68 G HA2 0.514 4.458 3.960 -0.026 0.000 0.170 68 G HA3 0.514 4.458 3.960 -0.026 0.000 0.170 68 G C 0.427 175.389 174.900 0.103 0.000 1.608 68 G CA 0.337 45.463 45.100 0.043 0.000 1.084 68 G HN 0.817 nan 8.290 nan 0.000 0.563 69 G N -1.201 107.669 108.800 0.118 0.000 2.642 69 G HA2 -0.111 3.834 3.960 -0.026 0.000 0.231 69 G HA3 -0.111 3.834 3.960 -0.026 0.000 0.231 69 G C -0.311 174.670 174.900 0.135 0.000 1.338 69 G CA 0.372 45.553 45.100 0.136 0.000 0.883 69 G HN 0.779 nan 8.290 nan 0.000 0.570 70 K N -0.373 120.093 120.400 0.110 0.000 2.350 70 K HA 0.818 5.122 4.320 -0.026 0.000 0.241 70 K C -0.056 176.534 176.600 -0.016 0.000 0.994 70 K CA -0.229 56.097 56.287 0.065 0.000 0.839 70 K CB 2.308 34.863 32.500 0.092 0.000 1.244 70 K HN 1.363 nan 8.250 nan 0.000 0.443 71 A N 1.399 124.185 122.820 -0.057 0.000 2.435 71 A HA 0.737 5.041 4.320 -0.026 0.000 0.304 71 A C -1.231 176.261 177.584 -0.152 0.000 1.064 71 A CA -0.724 51.239 52.037 -0.122 0.000 0.727 71 A CB 0.845 19.844 19.000 -0.002 0.000 1.284 71 A HN 0.650 nan 8.150 nan 0.000 0.415 72 I N 1.271 121.688 120.570 -0.256 0.000 2.436 72 I HA 0.272 4.427 4.170 -0.026 0.000 0.289 72 I C -1.418 174.646 176.117 -0.087 0.000 1.010 72 I CA -0.534 60.664 61.300 -0.169 0.000 1.098 72 I CB 1.922 39.822 38.000 -0.167 0.000 1.266 72 I HN 0.764 nan 8.210 nan 0.000 0.434 73 Y N 7.464 127.629 120.300 -0.224 0.000 2.353 73 Y HA 0.563 5.098 4.550 -0.025 0.000 0.340 73 Y C -0.884 174.870 175.900 -0.244 0.000 0.972 73 Y CA -0.565 57.391 58.100 -0.240 0.000 1.157 73 Y CB 0.998 39.188 38.460 -0.449 0.000 1.157 73 Y HN 0.204 nan 8.280 nan 0.000 0.495 74 V N 5.980 125.456 119.914 -0.730 0.000 2.417 74 V HA 0.551 4.655 4.120 -0.026 0.000 0.291 74 V C -0.062 175.480 176.094 -0.920 0.000 1.024 74 V CA -0.599 61.236 62.300 -0.774 0.000 0.861 74 V CB 1.337 32.636 31.823 -0.873 0.000 0.985 74 V HN 0.836 nan 8.190 nan 0.000 0.436 75 T N 4.994 119.161 114.554 -0.646 0.000 2.896 75 T HA 0.536 4.870 4.350 -0.026 0.000 0.297 75 T C -2.257 172.363 174.700 -0.134 0.000 1.108 75 T CA -1.671 60.239 62.100 -0.317 0.000 1.004 75 T CB 2.448 71.233 68.868 -0.139 0.000 1.159 75 T HN 0.420 nan 8.240 nan 0.000 0.499 76 P HA 0.177 nan 4.420 nan 0.000 0.217 76 P C -0.135 177.103 177.300 -0.103 0.000 1.151 76 P CA 0.793 63.815 63.100 -0.130 0.000 0.828 76 P CB 0.150 31.370 31.700 -0.800 0.000 0.788 77 L N -1.288 119.881 121.223 -0.089 0.000 2.334 77 L HA 0.405 4.729 4.340 -0.026 0.000 0.276 77 L C 1.669 178.532 176.870 -0.012 0.000 1.014 77 L CA -0.931 53.894 54.840 -0.025 0.000 0.815 77 L CB 1.968 44.037 42.059 0.017 0.000 1.268 77 L HN -0.313 nan 8.230 nan 0.000 0.428 78 R N 1.394 121.886 120.500 -0.013 0.000 2.120 78 R HA -0.118 4.207 4.340 -0.026 0.000 0.234 78 R C 2.054 178.357 176.300 0.005 0.000 1.123 78 R CA 1.434 57.521 56.100 -0.022 0.000 0.975 78 R CB -0.210 30.064 30.300 -0.044 0.000 0.866 78 R HN 0.863 nan 8.270 nan 0.000 0.446 79 A N 1.163 123.999 122.820 0.026 0.000 1.902 79 A HA -0.139 4.166 4.320 -0.026 0.000 0.217 79 A C 2.103 179.726 177.584 0.065 0.000 1.181 79 A CA 1.233 53.298 52.037 0.047 0.000 0.623 79 A CB -0.443 18.595 19.000 0.063 0.000 0.818 79 A HN 0.181 nan 8.150 nan 0.000 0.443 80 L N -0.072 121.194 121.223 0.071 0.000 2.156 80 L HA -0.122 4.203 4.340 -0.026 0.000 0.208 80 L C 2.927 179.868 176.870 0.118 0.000 1.095 80 L CA 1.621 56.523 54.840 0.104 0.000 0.770 80 L CB -1.023 41.104 42.059 0.114 0.000 0.914 80 L HN 0.608 nan 8.230 nan 0.000 0.439 81 T N -3.118 111.482 114.554 0.078 0.000 2.746 81 T HA -0.150 4.185 4.350 -0.026 0.000 0.267 81 T C 1.796 176.545 174.700 0.081 0.000 1.039 81 T CA 1.313 63.455 62.100 0.071 0.000 1.142 81 T CB -0.439 68.424 68.868 -0.007 0.000 0.866 81 T HN 0.242 nan 8.240 nan 0.000 0.444 82 N N 1.391 120.129 118.700 0.064 0.000 2.120 82 N HA -0.117 4.607 4.740 -0.026 0.000 0.188 82 N C 1.994 177.588 175.510 0.139 0.000 1.024 82 N CA 1.647 54.755 53.050 0.097 0.000 0.852 82 N CB -0.340 38.180 38.487 0.055 0.000 1.003 82 N HN 0.727 nan 8.380 nan 0.000 0.424 83 E N 0.916 121.181 120.200 0.109 0.000 2.077 83 E HA -0.152 4.182 4.350 -0.026 0.000 0.193 83 E C 1.355 178.022 176.600 0.112 0.000 0.989 83 E CA 1.048 57.510 56.400 0.102 0.000 0.800 83 E CB 0.239 29.997 29.700 0.097 0.000 0.746 83 E HN 0.035 nan 8.360 nan 0.000 0.452 84 K N 0.003 120.473 120.400 0.117 0.000 2.155 84 K HA -0.156 4.148 4.320 -0.026 0.000 0.203 84 K C 1.929 178.625 176.600 0.160 0.000 1.052 84 K CA 1.107 57.453 56.287 0.098 0.000 0.948 84 K CB -0.825 31.599 32.500 -0.127 0.000 0.728 84 K HN 0.377 nan 8.250 nan 0.000 0.448 85 Y N 1.685 121.988 120.300 0.006 0.000 2.128 85 Y HA -0.205 4.330 4.550 -0.026 0.000 0.284 85 Y C 1.945 177.896 175.900 0.085 0.000 1.154 85 Y CA 1.444 59.555 58.100 0.019 0.000 1.149 85 Y CB -0.165 38.287 38.460 -0.012 0.000 0.976 85 Y HN -0.102 nan 8.280 nan 0.000 0.505 86 L N -0.667 120.523 121.223 -0.055 0.000 2.046 86 L HA -0.236 4.088 4.340 -0.026 0.000 0.208 86 L C 2.361 179.161 176.870 -0.116 0.000 1.077 86 L CA 1.800 56.551 54.840 -0.147 0.000 0.747 86 L CB -1.014 41.033 42.059 -0.020 0.000 0.896 86 L HN 0.264 nan 8.230 nan 0.000 0.432 87 T N -0.300 114.244 114.554 -0.016 0.000 2.708 87 T HA -0.151 4.183 4.350 -0.026 0.000 0.266 87 T C 1.622 176.266 174.700 -0.093 0.000 1.037 87 T CA 1.377 63.448 62.100 -0.048 0.000 1.146 87 T CB -0.312 68.566 68.868 0.017 0.000 0.865 87 T HN 0.086 nan 8.240 nan 0.000 0.435 88 F N 1.341 121.230 119.950 -0.102 0.000 2.365 88 F HA 0.097 4.609 4.527 -0.025 0.000 0.300 88 F C 2.211 177.997 175.800 -0.022 0.000 1.090 88 F CA 0.645 58.683 58.000 0.063 0.000 1.408 88 F CB -0.226 38.831 39.000 0.095 0.000 1.060 88 F HN -0.028 nan 8.300 nan 0.000 0.534 89 K N 0.652 121.021 120.400 -0.052 0.000 2.360 89 K HA -0.148 4.156 4.320 -0.026 0.000 0.201 89 K C 1.373 177.885 176.600 -0.147 0.000 1.046 89 K CA 1.038 57.238 56.287 -0.144 0.000 0.945 89 K CB -0.421 31.869 32.500 -0.350 0.000 0.750 89 K HN 0.083 nan 8.250 nan 0.000 0.464 90 D N -0.681 119.534 120.400 -0.308 0.000 2.178 90 D HA -0.170 4.455 4.640 -0.026 0.000 0.201 90 D C 1.009 177.079 176.300 -0.384 0.000 0.980 90 D CA 0.992 54.717 54.000 -0.458 0.000 0.842 90 D CB -0.195 40.130 40.800 -0.792 0.000 0.948 90 D HN 0.416 nan 8.370 nan 0.000 0.472 91 W N 1.603 122.914 121.300 0.019 0.000 2.961 91 W HA 0.046 4.690 4.660 -0.026 0.000 0.240 91 W C 1.972 178.586 176.519 0.159 0.000 1.305 91 W CA -0.236 57.169 57.345 0.100 0.000 1.465 91 W CB -0.029 29.505 29.460 0.123 0.000 1.135 91 W HN -0.016 nan 8.180 nan 0.000 0.688 92 E N 0.588 120.935 120.200 0.245 0.000 2.338 92 E HA -0.138 4.196 4.350 -0.026 0.000 0.197 92 E C 1.665 178.321 176.600 0.094 0.000 1.007 92 E CA 0.799 57.300 56.400 0.168 0.000 0.849 92 E CB -0.286 29.475 29.700 0.101 0.000 0.774 92 E HN 0.431 nan 8.360 nan 0.000 0.506 93 L N 0.508 121.773 121.223 0.070 0.000 2.599 93 L HA 0.005 4.329 4.340 -0.026 0.000 0.230 93 L C 1.829 178.730 176.870 0.051 0.000 1.141 93 L CA 0.310 55.166 54.840 0.028 0.000 0.877 93 L CB -0.005 42.042 42.059 -0.020 0.000 1.009 93 L HN 0.176 nan 8.230 nan 0.000 0.447 94 I N -5.122 115.515 120.570 0.113 0.000 4.154 94 I HA 0.568 4.722 4.170 -0.026 0.000 0.334 94 I C 1.125 177.168 176.117 -0.123 0.000 1.371 94 I CA 0.223 61.562 61.300 0.064 0.000 1.110 94 I CB 0.671 38.791 38.000 0.199 0.000 1.085 94 I HN -0.038 nan 8.210 nan 0.000 0.398 95 G N 0.299 109.019 108.800 -0.134 0.000 2.227 95 G HA2 -0.131 3.814 3.960 -0.026 0.000 0.168 95 G HA3 -0.131 3.814 3.960 -0.026 0.000 0.168 95 G C -0.191 174.523 174.900 -0.309 0.000 1.006 95 G CA -0.581 44.353 45.100 -0.278 0.000 0.684 95 G HN 0.171 nan 8.290 nan 0.000 0.489 96 F N 1.735 121.740 119.950 0.092 0.000 2.397 96 F HA 0.657 5.169 4.527 -0.025 0.000 0.331 96 F C 0.813 176.684 175.800 0.118 0.000 1.090 96 F CA -0.617 57.445 58.000 0.103 0.000 1.065 96 F CB 1.324 40.406 39.000 0.137 0.000 1.184 96 F HN -0.210 nan 8.300 nan 0.000 0.499 97 K N 1.947 122.538 120.400 0.317 0.000 2.185 97 K HA 0.646 4.951 4.320 -0.026 0.000 0.269 97 K C -1.230 175.622 176.600 0.421 0.000 0.987 97 K CA -0.692 55.749 56.287 0.256 0.000 0.865 97 K CB 2.019 34.523 32.500 0.005 0.000 1.090 97 K HN 0.328 nan 8.250 nan 0.000 0.450 98 V N 1.969 122.160 119.914 0.462 0.000 2.495 98 V HA 0.688 4.793 4.120 -0.026 0.000 0.298 98 V C -0.531 175.821 176.094 0.430 0.000 1.031 98 V CA -0.737 61.809 62.300 0.410 0.000 0.871 98 V CB 1.533 33.540 31.823 0.307 0.000 0.988 98 V HN 0.947 nan 8.190 nan 0.000 0.432 99 A N 5.139 128.072 122.820 0.188 0.000 2.515 99 A HA 0.927 5.232 4.320 -0.026 0.000 0.296 99 A C -0.959 176.531 177.584 -0.158 0.000 1.094 99 A CA -0.738 51.226 52.037 -0.121 0.000 0.718 99 A CB 1.950 20.503 19.000 -0.746 0.000 1.307 99 A HN 0.737 nan 8.150 nan 0.000 0.408 100 M N 1.970 121.351 119.600 -0.366 0.000 2.336 100 M HA 0.351 4.815 4.480 -0.026 0.000 0.342 100 M C 0.615 176.802 176.300 -0.187 0.000 1.128 100 M CA -0.497 54.592 55.300 -0.352 0.000 1.016 100 M CB 1.996 34.255 32.600 -0.569 0.000 1.665 100 M HN 0.944 nan 8.290 nan 0.000 0.445 101 T N 0.115 114.556 114.554 -0.189 0.000 2.856 101 T HA 0.227 4.561 4.350 -0.026 0.000 0.306 101 T C 0.593 175.246 174.700 -0.078 0.000 1.062 101 T CA -0.877 61.132 62.100 -0.151 0.000 1.083 101 T CB 0.628 69.391 68.868 -0.175 0.000 0.984 101 T HN 0.744 nan 8.240 nan 0.000 0.542 102 S N 0.830 116.530 115.700 -0.000 0.000 2.617 102 S HA 0.417 4.872 4.470 -0.026 0.000 0.259 102 S C 1.484 175.992 174.600 -0.153 0.000 1.301 102 S CA -0.366 57.812 58.200 -0.036 0.000 0.984 102 S CB 0.305 63.533 63.200 0.045 0.000 0.954 102 S HN 1.137 nan 8.310 nan 0.000 0.572 103 G N -0.756 107.924 108.800 -0.200 0.000 3.042 103 G HA2 0.121 4.066 3.960 -0.026 0.000 0.212 103 G HA3 0.121 4.066 3.960 -0.026 0.000 0.212 103 G C 0.027 174.650 174.900 -0.462 0.000 1.166 103 G CA -0.103 44.805 45.100 -0.320 0.000 0.767 103 G HN 0.739 nan 8.290 nan 0.000 0.546 104 D N -0.301 119.906 120.400 -0.323 0.000 2.277 104 D HA 0.186 4.811 4.640 -0.026 0.000 0.249 104 D C 0.454 176.614 176.300 -0.232 0.000 1.134 104 D CA -0.655 53.167 54.000 -0.296 0.000 0.863 104 D CB 0.966 41.664 40.800 -0.170 0.000 1.143 104 D HN 0.068 nan 8.370 nan 0.000 0.458 105 Y N 1.226 121.469 120.300 -0.095 0.000 2.395 105 Y HA -0.014 4.522 4.550 -0.024 0.000 0.293 105 Y C 1.523 177.479 175.900 0.092 0.000 1.123 105 Y CA 0.282 58.359 58.100 -0.038 0.000 1.227 105 Y CB -0.023 38.461 38.460 0.041 0.000 1.012 105 Y HN 0.376 nan 8.280 nan 0.000 0.552 106 D N 0.408 120.976 120.400 0.279 0.000 3.038 106 D HA 0.116 4.740 4.640 -0.026 0.000 0.243 106 D C -0.279 176.081 176.300 0.100 0.000 1.245 106 D CA 0.328 54.521 54.000 0.321 0.000 0.871 106 D CB -0.209 40.841 40.800 0.417 0.000 1.089 106 D HN 0.104 nan 8.370 nan 0.000 0.464 107 T N -1.297 113.079 114.554 -0.297 0.000 2.769 107 T HA 0.220 4.554 4.350 -0.026 0.000 0.306 107 T C -0.660 173.647 174.700 -0.654 0.000 1.400 107 T CA -0.611 61.278 62.100 -0.351 0.000 1.007 107 T CB 1.163 69.977 68.868 -0.090 0.000 1.392 107 T HN 0.027 nan 8.240 nan 0.000 0.500 108 D N 0.310 120.541 120.400 -0.283 0.000 2.433 108 D HA 0.185 4.809 4.640 -0.026 0.000 0.211 108 D C -0.061 176.268 176.300 0.048 0.000 1.114 108 D CA -0.039 53.889 54.000 -0.119 0.000 0.837 108 D CB -0.043 40.773 40.800 0.026 0.000 0.984 108 D HN 0.582 nan 8.370 nan 0.000 0.505 109 D N 0.479 120.836 120.400 -0.071 0.000 2.697 109 D HA -0.189 4.435 4.640 -0.026 0.000 0.235 109 D C 1.329 177.284 176.300 -0.574 0.000 1.167 109 D CA 0.779 54.554 54.000 -0.375 0.000 0.656 109 D CB -1.164 39.302 40.800 -0.558 0.000 1.025 109 D HN 0.419 nan 8.370 nan 0.000 0.419 110 A N 0.518 123.250 122.820 -0.146 0.000 1.948 110 A HA -0.200 4.104 4.320 -0.026 0.000 0.220 110 A C 2.099 179.583 177.584 -0.167 0.000 1.177 110 A CA 1.600 53.640 52.037 0.006 0.000 0.636 110 A CB -0.879 18.194 19.000 0.122 0.000 0.815 110 A HN 0.705 nan 8.150 nan 0.000 0.449 111 W N -0.407 120.857 121.300 -0.060 0.000 2.389 111 W HA -0.083 4.561 4.660 -0.026 0.000 0.267 111 W C 0.850 177.311 176.519 -0.096 0.000 1.219 111 W CA 0.632 57.946 57.345 -0.052 0.000 1.189 111 W CB -1.057 28.386 29.460 -0.029 0.000 1.129 111 W HN 0.253 nan 8.180 nan 0.000 0.581 112 L N 2.060 122.700 121.223 -0.973 0.000 2.622 112 L HA -0.127 4.197 4.340 -0.026 0.000 0.233 112 L C 2.663 179.202 176.870 -0.552 0.000 1.156 112 L CA 1.097 55.311 54.840 -1.043 0.000 0.866 112 L CB -0.488 40.275 42.059 -2.160 0.000 0.980 112 L HN 0.026 nan 8.230 nan 0.000 0.448 113 K N -1.093 119.157 120.400 -0.250 0.000 2.209 113 K HA -0.165 4.140 4.320 -0.026 0.000 0.204 113 K C 1.129 177.756 176.600 0.045 0.000 1.048 113 K CA 1.584 57.885 56.287 0.023 0.000 0.940 113 K CB -0.270 32.290 32.500 0.099 0.000 0.729 113 K HN 0.185 nan 8.250 nan 0.000 0.451 114 N N -0.519 118.212 118.700 0.053 0.000 2.383 114 N HA 0.094 4.818 4.740 -0.026 0.000 0.192 114 N C -1.099 174.256 175.510 -0.257 0.000 1.141 114 N CA 0.189 53.188 53.050 -0.085 0.000 0.851 114 N CB 0.197 38.597 38.487 -0.146 0.000 0.976 114 N HN 0.198 nan 8.380 nan 0.000 0.465 115 Y N -0.741 119.550 120.300 -0.015 0.000 2.485 115 Y HA 0.306 4.840 4.550 -0.026 0.000 0.345 115 Y C 0.735 176.647 175.900 0.020 0.000 0.998 115 Y CA -1.004 57.100 58.100 0.007 0.000 1.059 115 Y CB 1.746 40.181 38.460 -0.041 0.000 1.234 115 Y HN -0.047 nan 8.280 nan 0.000 0.461 116 D N 1.673 122.215 120.400 0.236 0.000 2.338 116 D HA 0.145 4.769 4.640 -0.026 0.000 0.224 116 D C -0.080 176.280 176.300 0.100 0.000 0.967 116 D CA 1.188 55.300 54.000 0.187 0.000 0.896 116 D CB 1.018 42.012 40.800 0.323 0.000 1.028 116 D HN 0.322 nan 8.370 nan 0.000 0.493 117 I N 1.431 122.078 120.570 0.129 0.000 2.436 117 I HA 0.308 4.462 4.170 -0.026 0.000 0.289 117 I C -0.772 175.368 176.117 0.039 0.000 1.010 117 I CA -0.505 60.833 61.300 0.063 0.000 1.098 117 I CB 2.372 40.441 38.000 0.115 0.000 1.266 117 I HN -0.277 nan 8.210 nan 0.000 0.434 118 I N 7.020 127.558 120.570 -0.052 0.000 2.465 118 I HA 0.427 4.582 4.170 -0.026 0.000 0.291 118 I C -0.833 175.210 176.117 -0.124 0.000 1.014 118 I CA -0.513 60.713 61.300 -0.123 0.000 1.093 118 I CB 1.973 39.849 38.000 -0.206 0.000 1.267 118 I HN 0.309 nan 8.210 nan 0.000 0.431 119 I N 5.057 125.553 120.570 -0.123 0.000 2.377 119 I HA 0.606 4.760 4.170 -0.026 0.000 0.293 119 I C 0.178 176.222 176.117 -0.123 0.000 0.987 119 I CA 0.037 61.279 61.300 -0.096 0.000 1.185 119 I CB 1.911 39.875 38.000 -0.061 0.000 1.341 119 I HN 0.527 nan 8.210 nan 0.000 0.455 120 T N 3.001 117.475 114.554 -0.133 0.000 2.792 120 T HA 0.617 4.952 4.350 -0.026 0.000 0.303 120 T C -0.502 174.070 174.700 -0.213 0.000 1.310 120 T CA -0.465 61.533 62.100 -0.169 0.000 1.007 120 T CB 1.198 69.962 68.868 -0.173 0.000 1.335 120 T HN 0.718 nan 8.240 nan 0.000 0.504 121 T N 0.383 114.829 114.554 -0.180 0.000 2.881 121 T HA 0.447 4.781 4.350 -0.026 0.000 0.278 121 T C 0.806 175.397 174.700 -0.182 0.000 0.982 121 T CA -0.355 61.642 62.100 -0.172 0.000 0.989 121 T CB 0.609 69.432 68.868 -0.075 0.000 1.058 121 T HN 0.604 nan 8.240 nan 0.000 0.529 122 Y N 0.441 120.690 120.300 -0.085 0.000 2.200 122 Y HA -0.023 4.513 4.550 -0.024 0.000 0.290 122 Y C 2.742 178.635 175.900 -0.013 0.000 1.137 122 Y CA 1.594 59.668 58.100 -0.042 0.000 1.163 122 Y CB -0.295 38.135 38.460 -0.050 0.000 0.988 122 Y HN 0.705 nan 8.280 nan 0.000 0.518 123 E N 0.057 120.330 120.200 0.122 0.000 2.051 123 E HA -0.203 4.131 4.350 -0.026 0.000 0.192 123 E C 2.027 178.509 176.600 -0.197 0.000 0.991 123 E CA 1.319 57.702 56.400 -0.028 0.000 0.799 123 E CB -0.132 29.572 29.700 0.007 0.000 0.748 123 E HN 0.084 nan 8.360 nan 0.000 0.449 124 K N 0.657 121.041 120.400 -0.027 0.000 2.057 124 K HA -0.118 4.187 4.320 -0.026 0.000 0.207 124 K C 1.869 178.420 176.600 -0.082 0.000 1.049 124 K CA 0.812 57.084 56.287 -0.025 0.000 0.931 124 K CB -0.540 31.922 32.500 -0.064 0.000 0.714 124 K HN 0.120 nan 8.250 nan 0.000 0.440 125 L N 1.348 122.517 121.223 -0.090 0.000 2.012 125 L HA -0.151 4.173 4.340 -0.026 0.000 0.210 125 L C 1.810 178.680 176.870 0.001 0.000 1.073 125 L CA 2.296 57.058 54.840 -0.130 0.000 0.748 125 L CB -1.126 40.838 42.059 -0.158 0.000 0.891 125 L HN 0.368 nan 8.230 nan 0.000 0.431 126 D N -1.411 119.070 120.400 0.136 0.000 2.104 126 D HA -0.230 4.395 4.640 -0.026 0.000 0.194 126 D C 2.365 178.791 176.300 0.210 0.000 0.994 126 D CA 1.509 55.675 54.000 0.276 0.000 0.830 126 D CB -0.128 40.843 40.800 0.285 0.000 0.959 126 D HN 0.412 nan 8.370 nan 0.000 0.452 127 S N -1.187 114.478 115.700 -0.059 0.000 2.382 127 S HA -0.097 4.357 4.470 -0.026 0.000 0.228 127 S C 2.188 176.894 174.600 0.176 0.000 1.027 127 S CA 0.894 59.076 58.200 -0.030 0.000 0.991 127 S CB -0.384 62.618 63.200 -0.331 0.000 0.823 127 S HN 0.330 nan 8.310 nan 0.000 0.469 128 L N -0.148 121.108 121.223 0.056 0.000 2.017 128 L HA -0.081 4.244 4.340 -0.026 0.000 0.208 128 L C 2.519 179.398 176.870 0.014 0.000 1.073 128 L CA 1.281 56.116 54.840 -0.007 0.000 0.745 128 L CB -0.572 41.392 42.059 -0.157 0.000 0.894 128 L HN 0.452 nan 8.230 nan 0.000 0.432 129 W N 0.860 122.136 121.300 -0.039 0.000 2.341 129 W HA -0.166 4.479 4.660 -0.026 0.000 0.283 129 W C 2.640 179.128 176.519 -0.051 0.000 1.215 129 W CA 1.184 58.485 57.345 -0.074 0.000 1.211 129 W CB -0.475 28.939 29.460 -0.078 0.000 1.131 129 W HN 0.232 nan 8.180 nan 0.000 0.552 130 R N -1.475 119.154 120.500 0.216 0.000 2.189 130 R HA -0.095 4.230 4.340 -0.026 0.000 0.218 130 R C 1.492 177.788 176.300 -0.006 0.000 1.074 130 R CA 1.019 57.167 56.100 0.081 0.000 0.991 130 R CB -0.515 29.832 30.300 0.077 0.000 0.883 130 R HN 0.235 nan 8.270 nan 0.000 0.457 131 H N -0.138 118.955 119.070 0.039 0.000 2.544 131 H HA 0.227 4.767 4.556 -0.026 0.000 0.269 131 H C -0.098 175.223 175.328 -0.011 0.000 0.970 131 H CA 0.141 56.200 56.048 0.019 0.000 1.219 131 H CB 0.365 30.141 29.762 0.022 0.000 1.421 131 H HN -0.057 nan 8.280 nan 0.000 0.555 132 R N 0.032 120.572 120.500 0.067 0.000 3.201 132 R HA -0.099 4.226 4.340 -0.026 0.000 0.254 132 R C -2.735 173.533 176.300 -0.053 0.000 0.978 132 R CA 0.056 56.160 56.100 0.006 0.000 0.661 132 R CB -1.710 28.596 30.300 0.011 0.000 1.170 132 R HN 0.320 nan 8.270 nan 0.000 0.430 133 P HA 0.129 nan 4.420 nan 0.000 0.285 133 P C 0.495 177.609 177.300 -0.310 0.000 1.259 133 P CA -0.333 62.611 63.100 -0.261 0.000 0.794 133 P CB 0.832 32.207 31.700 -0.541 0.000 0.940 134 E N 2.201 122.330 120.200 -0.118 0.000 2.049 134 E HA -0.206 4.128 4.350 -0.026 0.000 0.198 134 E C 1.662 178.222 176.600 -0.068 0.000 1.007 134 E CA 1.505 57.874 56.400 -0.051 0.000 0.809 134 E CB -0.347 29.378 29.700 0.041 0.000 0.749 134 E HN 0.699 nan 8.360 nan 0.000 0.450 135 W N 1.068 122.351 121.300 -0.027 0.000 2.331 135 W HA -0.186 4.459 4.660 -0.026 0.000 0.291 135 W C 1.627 178.113 176.519 -0.055 0.000 1.214 135 W CA 0.280 57.598 57.345 -0.044 0.000 1.228 135 W CB -0.682 28.728 29.460 -0.084 0.000 1.135 135 W HN 0.104 nan 8.180 nan 0.000 0.537 136 L N 2.858 123.528 121.223 -0.922 0.000 2.376 136 L HA -0.078 4.247 4.340 -0.026 0.000 0.219 136 L C 1.860 178.582 176.870 -0.247 0.000 1.133 136 L CA 1.676 55.980 54.840 -0.894 0.000 0.816 136 L CB -1.173 40.136 42.059 -1.250 0.000 0.933 136 L HN -0.160 nan 8.230 nan 0.000 0.449 137 N N -0.171 118.452 118.700 -0.127 0.000 2.309 137 N HA -0.134 4.590 4.740 -0.026 0.000 0.182 137 N C 1.546 177.094 175.510 0.064 0.000 1.018 137 N CA 0.789 53.849 53.050 0.016 0.000 0.876 137 N CB -0.062 38.438 38.487 0.022 0.000 0.972 137 N HN 0.377 nan 8.380 nan 0.000 0.434 138 E N 0.124 120.368 120.200 0.073 0.000 2.358 138 E HA 0.021 4.356 4.350 -0.026 0.000 0.195 138 E C -0.037 176.617 176.600 0.091 0.000 1.010 138 E CA 0.102 56.565 56.400 0.106 0.000 0.856 138 E CB 0.191 29.974 29.700 0.138 0.000 0.795 138 E HN 0.069 nan 8.360 nan 0.000 0.504 139 V N 3.447 123.389 119.914 0.047 0.000 2.415 139 V HA 0.044 4.148 4.120 -0.026 0.000 0.267 139 V C 1.048 177.081 176.094 -0.103 0.000 1.042 139 V CA 0.088 62.329 62.300 -0.098 0.000 1.000 139 V CB 0.515 32.185 31.823 -0.254 0.000 1.015 139 V HN 0.098 nan 8.190 nan 0.000 0.478 140 N N 2.808 121.461 118.700 -0.079 0.000 2.184 140 N HA 0.110 4.834 4.740 -0.026 0.000 0.206 140 N C -0.612 174.769 175.510 -0.215 0.000 1.151 140 N CA 0.255 53.322 53.050 0.028 0.000 0.878 140 N CB 0.923 39.575 38.487 0.276 0.000 1.014 140 N HN 0.706 nan 8.380 nan 0.000 0.512 141 Y N 0.168 120.065 120.300 -0.670 0.000 2.386 141 Y HA 0.407 4.942 4.550 -0.025 0.000 0.334 141 Y C -1.655 173.833 175.900 -0.686 0.000 1.002 141 Y CA -1.097 56.554 58.100 -0.747 0.000 1.068 141 Y CB 0.638 38.453 38.460 -1.076 0.000 1.203 141 Y HN -0.235 nan 8.280 nan 0.000 0.443 142 F N 5.080 124.697 119.950 -0.555 0.000 2.507 142 F HA 0.614 5.127 4.527 -0.024 0.000 0.325 142 F C -0.661 174.838 175.800 -0.501 0.000 1.116 142 F CA -1.279 56.497 58.000 -0.374 0.000 0.930 142 F CB 1.716 40.599 39.000 -0.194 0.000 1.146 142 F HN 0.100 nan 8.300 nan 0.000 0.447 143 V N 5.011 124.825 119.914 -0.166 0.000 2.364 143 V HA 0.305 4.409 4.120 -0.026 0.000 0.272 143 V C -0.136 175.856 176.094 -0.170 0.000 1.036 143 V CA -0.615 61.609 62.300 -0.126 0.000 0.880 143 V CB 1.177 33.056 31.823 0.093 0.000 0.991 143 V HN 0.538 nan 8.190 nan 0.000 0.460 144 L N 4.687 125.857 121.223 -0.089 0.000 2.272 144 L HA 0.506 4.830 4.340 -0.026 0.000 0.284 144 L C -0.173 176.707 176.870 0.016 0.000 1.045 144 L CA -0.231 54.592 54.840 -0.027 0.000 0.842 144 L CB 0.880 42.992 42.059 0.088 0.000 1.224 144 L HN 0.513 nan 8.230 nan 0.000 0.430 145 D N 3.409 123.757 120.400 -0.085 0.000 2.229 145 D HA 0.153 4.778 4.640 -0.026 0.000 0.249 145 D C 0.214 176.568 176.300 0.091 0.000 1.027 145 D CA 0.004 53.998 54.000 -0.010 0.000 0.923 145 D CB 1.093 41.808 40.800 -0.141 0.000 1.174 145 D HN 0.410 nan 8.370 nan 0.000 0.443 146 E N 1.564 121.846 120.200 0.137 0.000 2.271 146 E HA -0.220 4.115 4.350 -0.026 0.000 0.223 146 E C 0.826 177.403 176.600 -0.038 0.000 1.223 146 E CA 0.058 56.513 56.400 0.090 0.000 0.704 146 E CB -1.437 28.232 29.700 -0.052 0.000 1.194 146 E HN 0.398 nan 8.360 nan 0.000 0.375 147 L N 1.122 122.415 121.223 0.117 0.000 2.275 147 L HA -0.135 4.190 4.340 -0.026 0.000 0.215 147 L C 2.610 179.524 176.870 0.073 0.000 1.119 147 L CA 2.015 56.904 54.840 0.082 0.000 0.790 147 L CB -0.358 41.789 42.059 0.147 0.000 0.919 147 L HN 0.484 nan 8.230 nan 0.000 0.443 148 H N -3.036 116.113 119.070 0.131 0.000 2.518 148 H HA -0.237 4.303 4.556 -0.026 0.000 0.294 148 H C 1.525 176.871 175.328 0.030 0.000 1.083 148 H CA 1.383 57.474 56.048 0.071 0.000 1.264 148 H CB -1.089 28.703 29.762 0.050 0.000 1.370 148 H HN 0.386 nan 8.280 nan 0.000 0.560 149 Y N 1.263 121.316 120.300 -0.413 0.000 2.574 149 Y HA -0.027 4.507 4.550 -0.027 0.000 0.294 149 Y C 2.559 178.320 175.900 -0.232 0.000 1.142 149 Y CA 0.304 58.216 58.100 -0.314 0.000 1.314 149 Y CB -0.252 37.978 38.460 -0.383 0.000 0.991 149 Y HN 0.129 nan 8.280 nan 0.000 0.555 150 L N -0.429 120.754 121.223 -0.067 0.000 2.189 150 L HA -0.285 4.039 4.340 -0.026 0.000 0.214 150 L C 1.961 178.760 176.870 -0.118 0.000 1.097 150 L CA 1.364 56.142 54.840 -0.104 0.000 0.764 150 L CB -0.360 41.646 42.059 -0.088 0.000 0.900 150 L HN 0.192 nan 8.230 nan 0.000 0.436 151 N N -0.403 118.237 118.700 -0.098 0.000 2.412 151 N HA -0.075 4.649 4.740 -0.026 0.000 0.184 151 N C 0.089 175.528 175.510 -0.118 0.000 1.101 151 N CA 0.147 53.135 53.050 -0.104 0.000 0.881 151 N CB -0.031 38.411 38.487 -0.074 0.000 0.969 151 N HN 0.256 nan 8.380 nan 0.000 0.459 152 D N -0.564 119.757 120.400 -0.132 0.000 2.348 152 D HA 0.122 4.747 4.640 -0.026 0.000 0.253 152 D C -1.631 174.612 176.300 -0.096 0.000 1.161 152 D CA -1.869 52.054 54.000 -0.129 0.000 0.876 152 D CB 1.437 42.154 40.800 -0.138 0.000 1.160 152 D HN 0.027 nan 8.370 nan 0.000 0.459 153 P HA -0.144 nan 4.420 nan 0.000 0.216 153 P C 0.376 177.630 177.300 -0.077 0.000 1.150 153 P CA 1.262 64.308 63.100 -0.090 0.000 0.837 153 P CB 0.196 31.847 31.700 -0.082 0.000 0.786 154 E N -0.801 119.370 120.200 -0.049 0.000 2.086 154 E HA 0.013 4.347 4.350 -0.026 0.000 0.190 154 E C 1.912 178.507 176.600 -0.008 0.000 0.975 154 E CA 0.711 57.097 56.400 -0.023 0.000 0.813 154 E CB -0.134 29.568 29.700 0.004 0.000 0.768 154 E HN 0.251 nan 8.360 nan 0.000 0.457 155 R N 0.211 120.715 120.500 0.007 0.000 2.307 155 R HA 0.170 4.495 4.340 -0.026 0.000 0.200 155 R C 2.236 178.503 176.300 -0.056 0.000 0.893 155 R CA 0.411 56.517 56.100 0.011 0.000 1.042 155 R CB 0.280 30.627 30.300 0.078 0.000 1.059 155 R HN 0.101 nan 8.270 nan 0.000 0.530 156 G N 3.265 112.021 108.800 -0.073 0.000 2.529 156 G HA2 -0.235 3.709 3.960 -0.026 0.000 0.219 156 G HA3 -0.235 3.709 3.960 -0.026 0.000 0.219 156 G C -0.909 173.904 174.900 -0.145 0.000 1.177 156 G CA 0.871 45.899 45.100 -0.121 0.000 0.773 156 G HN 0.206 nan 8.290 nan 0.000 0.573 157 P HA -0.070 nan 4.420 nan 0.000 0.216 157 P C 2.091 179.322 177.300 -0.115 0.000 1.150 157 P CA 1.192 64.181 63.100 -0.184 0.000 0.843 157 P CB -0.141 31.458 31.700 -0.168 0.000 0.787 158 V N -0.776 119.109 119.914 -0.048 0.000 2.323 158 V HA -0.168 3.936 4.120 -0.026 0.000 0.244 158 V C 2.491 178.601 176.094 0.026 0.000 1.041 158 V CA 1.529 63.855 62.300 0.043 0.000 1.025 158 V CB -1.321 30.566 31.823 0.106 0.000 0.656 158 V HN -0.048 nan 8.190 nan 0.000 0.451 159 V N -0.021 119.802 119.914 -0.151 0.000 2.324 159 V HA -0.331 3.773 4.120 -0.026 0.000 0.250 159 V C 2.473 178.539 176.094 -0.047 0.000 1.060 159 V CA 2.353 64.451 62.300 -0.337 0.000 1.042 159 V CB -0.616 30.866 31.823 -0.569 0.000 0.650 159 V HN 0.608 nan 8.190 nan 0.000 0.450 160 E N 0.086 120.268 120.200 -0.031 0.000 2.051 160 E HA -0.190 4.144 4.350 -0.026 0.000 0.192 160 E C 2.405 179.064 176.600 0.100 0.000 0.991 160 E CA 1.647 58.085 56.400 0.064 0.000 0.799 160 E CB -0.117 29.527 29.700 -0.094 0.000 0.748 160 E HN 0.640 nan 8.360 nan 0.000 0.449 161 S N 0.168 115.912 115.700 0.073 0.000 2.370 161 S HA -0.155 4.300 4.470 -0.026 0.000 0.226 161 S C 2.121 176.747 174.600 0.043 0.000 1.033 161 S CA 1.119 59.412 58.200 0.156 0.000 1.011 161 S CB -0.250 63.083 63.200 0.222 0.000 0.852 161 S HN 0.090 nan 8.310 nan 0.000 0.457 162 V N 1.903 121.889 119.914 0.120 0.000 2.358 162 V HA -0.171 3.934 4.120 -0.026 0.000 0.246 162 V C 2.547 178.618 176.094 -0.039 0.000 1.047 162 V CA 2.108 64.504 62.300 0.160 0.000 1.035 162 V CB -1.332 30.741 31.823 0.417 0.000 0.658 162 V HN 0.523 nan 8.190 nan 0.000 0.452 163 T N 0.194 114.762 114.554 0.023 0.000 2.777 163 T HA -0.099 4.236 4.350 -0.026 0.000 0.266 163 T C 1.847 176.410 174.700 -0.227 0.000 1.040 163 T CA 1.578 63.635 62.100 -0.073 0.000 1.141 163 T CB -0.282 68.611 68.868 0.042 0.000 0.868 163 T HN 0.312 nan 8.240 nan 0.000 0.444 164 I N 1.037 121.523 120.570 -0.140 0.000 2.113 164 I HA -0.290 3.865 4.170 -0.026 0.000 0.242 164 I C 2.784 178.738 176.117 -0.273 0.000 1.064 164 I CA 1.632 62.841 61.300 -0.152 0.000 1.320 164 I CB -0.304 37.717 38.000 0.035 0.000 1.028 164 I HN 0.170 nan 8.210 nan 0.000 0.406 165 R N 0.460 120.687 120.500 -0.455 0.000 2.092 165 R HA -0.057 4.268 4.340 -0.026 0.000 0.231 165 R C 2.356 178.313 176.300 -0.572 0.000 1.119 165 R CA 1.289 56.977 56.100 -0.687 0.000 0.970 165 R CB -0.477 28.897 30.300 -1.545 0.000 0.864 165 R HN 0.373 nan 8.270 nan 0.000 0.440 166 A N 1.554 124.020 122.820 -0.591 0.000 2.067 166 A HA -0.135 4.170 4.320 -0.026 0.000 0.219 166 A C 1.789 179.199 177.584 -0.290 0.000 1.158 166 A CA 1.129 52.806 52.037 -0.601 0.000 0.661 166 A CB -0.168 18.470 19.000 -0.605 0.000 0.801 166 A HN 0.183 nan 8.150 nan 0.000 0.452 167 K N -0.517 119.717 120.400 -0.278 0.000 2.288 167 K HA -0.032 4.272 4.320 -0.026 0.000 0.201 167 K C 1.959 178.477 176.600 -0.136 0.000 1.048 167 K CA 0.808 56.962 56.287 -0.222 0.000 0.956 167 K CB -0.078 32.236 32.500 -0.311 0.000 0.746 167 K HN 0.416 nan 8.250 nan 0.000 0.461 168 R N 0.218 120.645 120.500 -0.122 0.000 2.189 168 R HA -0.000 4.324 4.340 -0.026 0.000 0.218 168 R C 1.298 177.609 176.300 0.017 0.000 1.074 168 R CA 0.822 56.891 56.100 -0.051 0.000 0.991 168 R CB 0.162 30.434 30.300 -0.046 0.000 0.883 168 R HN 0.113 nan 8.270 nan 0.000 0.457 169 R N -0.176 120.354 120.500 0.049 0.000 2.769 169 R HA 0.303 4.628 4.340 -0.026 0.000 0.117 169 R C -0.214 176.152 176.300 0.110 0.000 1.152 169 R CA -0.795 55.388 56.100 0.138 0.000 0.887 169 R CB 0.045 30.520 30.300 0.291 0.000 1.099 169 R HN -0.010 nan 8.270 nan 0.000 0.398 170 N N 1.258 120.035 118.700 0.128 0.000 2.314 170 N HA 0.444 5.169 4.740 -0.026 0.000 0.304 170 N C -0.956 174.510 175.510 -0.074 0.000 1.073 170 N CA -0.461 52.615 53.050 0.045 0.000 0.822 170 N CB 2.281 40.797 38.487 0.047 0.000 1.280 170 N HN 0.257 nan 8.380 nan 0.000 0.489 171 L N -1.160 119.974 121.223 -0.148 0.000 2.424 171 L HA 0.765 5.089 4.340 -0.026 0.000 0.258 171 L C -1.491 175.218 176.870 -0.269 0.000 0.995 171 L CA -1.082 53.590 54.840 -0.280 0.000 0.821 171 L CB 1.549 43.533 42.059 -0.125 0.000 1.383 171 L HN 0.360 nan 8.230 nan 0.000 0.410 172 L N 1.997 123.021 121.223 -0.330 0.000 2.365 172 L HA 1.000 5.325 4.340 -0.026 0.000 0.273 172 L C -0.708 176.134 176.870 -0.047 0.000 1.000 172 L CA -0.300 54.480 54.840 -0.100 0.000 0.819 172 L CB 1.792 43.848 42.059 -0.005 0.000 1.284 172 L HN 1.037 nan 8.230 nan 0.000 0.418 173 A N 6.088 128.918 122.820 0.017 0.000 2.330 173 A HA 0.832 5.136 4.320 -0.026 0.000 0.313 173 A C -1.463 176.174 177.584 0.088 0.000 1.124 173 A CA -0.502 51.566 52.037 0.051 0.000 0.774 173 A CB 0.804 19.839 19.000 0.060 0.000 1.198 173 A HN 0.701 nan 8.150 nan 0.000 0.465 174 L N 2.198 123.487 121.223 0.110 0.000 2.381 174 L HA 0.812 5.136 4.340 -0.026 0.000 0.268 174 L C 0.211 177.190 176.870 0.180 0.000 0.997 174 L CA -0.482 54.441 54.840 0.138 0.000 0.818 174 L CB 2.324 44.477 42.059 0.156 0.000 1.310 174 L HN 0.920 nan 8.230 nan 0.000 0.416 175 S N 0.761 116.578 115.700 0.195 0.000 2.672 175 S HA 0.850 5.304 4.470 -0.026 0.000 0.271 175 S C -0.535 174.163 174.600 0.163 0.000 1.171 175 S CA -0.524 57.858 58.200 0.302 0.000 0.817 175 S CB 1.390 64.812 63.200 0.370 0.000 1.150 175 S HN 0.753 nan 8.310 nan 0.000 0.478 176 A N 0.986 123.807 122.820 0.002 0.000 2.262 176 A HA 0.677 4.982 4.320 -0.026 0.000 0.273 176 A C 0.783 178.297 177.584 -0.117 0.000 1.202 176 A CA 0.280 52.183 52.037 -0.223 0.000 0.811 176 A CB -0.743 17.865 19.000 -0.653 0.000 1.159 176 A HN 1.462 nan 8.150 nan 0.000 0.505 177 T N -0.224 114.268 114.554 -0.103 0.000 2.905 177 T HA 0.292 4.626 4.350 -0.026 0.000 0.299 177 T C -0.265 174.442 174.700 0.011 0.000 1.024 177 T CA 0.678 62.761 62.100 -0.028 0.000 1.151 177 T CB -0.848 68.012 68.868 -0.013 0.000 0.987 177 T HN 0.301 nan 8.240 nan 0.000 0.535 178 I N 4.999 125.619 120.570 0.084 0.000 2.447 178 I HA 0.199 4.354 4.170 -0.026 0.000 0.287 178 I C 1.376 177.620 176.117 0.211 0.000 1.023 178 I CA -0.644 60.738 61.300 0.136 0.000 1.083 178 I CB 2.135 40.239 38.000 0.173 0.000 1.245 178 I HN 0.855 nan 8.210 nan 0.000 0.434 179 S N 3.728 119.507 115.700 0.132 0.000 2.387 179 S HA -0.120 4.335 4.470 -0.026 0.000 0.226 179 S C 1.078 175.711 174.600 0.056 0.000 1.026 179 S CA 0.854 59.125 58.200 0.118 0.000 0.972 179 S CB -0.299 62.931 63.200 0.050 0.000 0.814 179 S HN 0.792 nan 8.310 nan 0.000 0.477 180 N N 1.577 120.289 118.700 0.021 0.000 2.575 180 N HA 0.063 4.787 4.740 -0.026 0.000 0.275 180 N C 0.661 176.145 175.510 -0.043 0.000 1.202 180 N CA -0.550 52.463 53.050 -0.062 0.000 0.945 180 N CB -0.915 37.541 38.487 -0.053 0.000 1.247 180 N HN 0.716 nan 8.380 nan 0.000 0.510 181 Y N -0.160 120.160 120.300 0.034 0.000 2.274 181 Y HA 0.085 4.619 4.550 -0.026 0.000 0.290 181 Y C 1.708 177.642 175.900 0.056 0.000 1.145 181 Y CA 0.735 58.866 58.100 0.050 0.000 1.203 181 Y CB -0.282 38.209 38.460 0.051 0.000 0.984 181 Y HN -0.021 nan 8.280 nan 0.000 0.533 182 K N 0.428 120.609 120.400 -0.365 0.000 2.097 182 K HA -0.150 4.155 4.320 -0.026 0.000 0.205 182 K C 2.115 178.693 176.600 -0.035 0.000 1.050 182 K CA 1.667 57.855 56.287 -0.165 0.000 0.938 182 K CB -0.166 32.157 32.500 -0.295 0.000 0.718 182 K HN 0.554 nan 8.250 nan 0.000 0.442 183 Q N 0.266 120.033 119.800 -0.056 0.000 2.124 183 Q HA -0.116 4.208 4.340 -0.026 0.000 0.202 183 Q C 1.984 178.032 176.000 0.080 0.000 0.977 183 Q CA 0.942 56.745 55.803 -0.001 0.000 0.850 183 Q CB 0.027 28.743 28.738 -0.037 0.000 0.901 183 Q HN 0.264 nan 8.270 nan 0.000 0.429 184 I N 0.466 121.100 120.570 0.108 0.000 2.406 184 I HA -0.111 4.044 4.170 -0.026 0.000 0.249 184 I C 2.311 178.588 176.117 0.267 0.000 1.122 184 I CA 0.851 62.276 61.300 0.208 0.000 1.431 184 I CB -1.387 36.723 38.000 0.183 0.000 1.087 184 I HN 0.081 nan 8.210 nan 0.000 0.424 185 A N 1.048 123.986 122.820 0.195 0.000 1.858 185 A HA -0.252 4.053 4.320 -0.026 0.000 0.216 185 A C 2.440 180.103 177.584 0.131 0.000 1.190 185 A CA 1.871 54.004 52.037 0.159 0.000 0.617 185 A CB -0.631 18.464 19.000 0.159 0.000 0.827 185 A HN 0.322 nan 8.150 nan 0.000 0.443 186 K N -1.787 118.689 120.400 0.127 0.000 2.113 186 K HA -0.243 4.062 4.320 -0.026 0.000 0.208 186 K C 1.818 178.508 176.600 0.150 0.000 1.047 186 K CA 1.806 58.157 56.287 0.107 0.000 0.928 186 K CB -0.308 32.244 32.500 0.086 0.000 0.716 186 K HN 0.682 nan 8.250 nan 0.000 0.446 187 W N 1.241 122.544 121.300 0.005 0.000 2.381 187 W HA -0.130 4.517 4.660 -0.021 0.000 0.301 187 W C 1.331 177.852 176.519 0.003 0.000 1.205 187 W CA 1.184 58.530 57.345 0.001 0.000 1.285 187 W CB -0.274 29.184 29.460 -0.003 0.000 1.133 187 W HN -0.011 nan 8.180 nan 0.000 0.521 188 L N 0.809 121.987 121.223 -0.075 0.000 2.291 188 L HA 0.114 4.439 4.340 -0.026 0.000 0.214 188 L C 1.979 178.748 176.870 -0.169 0.000 1.120 188 L CA 1.029 55.710 54.840 -0.266 0.000 0.799 188 L CB -1.171 40.833 42.059 -0.092 0.000 0.925 188 L HN 0.285 nan 8.230 nan 0.000 0.446 189 G N 0.107 108.867 108.800 -0.067 0.000 2.176 189 G HA2 -0.243 3.701 3.960 -0.026 0.000 0.252 189 G HA3 -0.243 3.701 3.960 -0.026 0.000 0.252 189 G C 0.267 175.163 174.900 -0.007 0.000 1.024 189 G CA 0.219 45.300 45.100 -0.033 0.000 0.755 189 G HN 0.546 nan 8.290 nan 0.000 0.507 190 A N -0.784 122.045 122.820 0.014 0.000 2.247 190 A HA 0.848 5.152 4.320 -0.026 0.000 0.313 190 A C 0.333 177.950 177.584 0.055 0.000 1.109 190 A CA 0.187 52.244 52.037 0.033 0.000 0.890 190 A CB 0.821 19.845 19.000 0.040 0.000 1.239 190 A HN 0.734 nan 8.150 nan 0.000 0.506 191 E N 0.845 121.081 120.200 0.060 0.000 2.113 191 E HA 0.384 4.718 4.350 -0.026 0.000 0.273 191 E C -2.563 174.084 176.600 0.080 0.000 0.924 191 E CA -2.348 54.092 56.400 0.068 0.000 0.764 191 E CB 1.064 30.797 29.700 0.055 0.000 1.104 191 E HN 0.358 nan 8.360 nan 0.000 0.406 192 P HA -0.025 nan 4.420 nan 0.000 0.266 192 P C -0.570 176.760 177.300 0.051 0.000 1.215 192 P CA -0.025 63.153 63.100 0.130 0.000 0.763 192 P CB 0.784 32.655 31.700 0.284 0.000 0.806 193 V N 3.754 123.667 119.914 -0.002 0.000 2.266 193 V HA 0.406 4.510 4.120 -0.026 0.000 0.266 193 V C 0.586 176.613 176.094 -0.112 0.000 1.036 193 V CA -0.728 61.549 62.300 -0.038 0.000 0.828 193 V CB 0.706 32.523 31.823 -0.010 0.000 1.081 193 V HN 0.635 nan 8.190 nan 0.000 0.449 194 A N 2.565 125.245 122.820 -0.234 0.000 2.289 194 A HA 0.814 5.118 4.320 -0.026 0.000 0.298 194 A C 0.082 177.550 177.584 -0.194 0.000 1.208 194 A CA -0.220 51.590 52.037 -0.377 0.000 0.845 194 A CB 1.212 19.608 19.000 -1.008 0.000 1.125 194 A HN 0.556 nan 8.150 nan 0.000 0.517 195 T N 0.731 115.220 114.554 -0.108 0.000 2.916 195 T HA 0.360 4.694 4.350 -0.026 0.000 0.305 195 T C 0.402 175.122 174.700 0.034 0.000 1.119 195 T CA -0.462 61.632 62.100 -0.010 0.000 1.008 195 T CB 1.400 70.288 68.868 0.034 0.000 1.129 195 T HN 0.590 nan 8.240 nan 0.000 0.480 196 N N 1.666 120.411 118.700 0.075 0.000 2.325 196 N HA 0.118 4.842 4.740 -0.026 0.000 0.182 196 N C -0.112 175.460 175.510 0.103 0.000 1.088 196 N CA -0.368 52.725 53.050 0.072 0.000 0.879 196 N CB 0.092 38.617 38.487 0.063 0.000 0.983 196 N HN 0.661 nan 8.380 nan 0.000 0.471 197 W N 2.425 123.719 121.300 -0.011 0.000 2.377 197 W HA 0.029 4.673 4.660 -0.026 0.000 0.341 197 W C 0.422 176.943 176.519 0.003 0.000 1.240 197 W CA 0.368 57.711 57.345 -0.002 0.000 1.311 197 W CB 0.378 29.820 29.460 -0.030 0.000 1.175 197 W HN -0.131 nan 8.180 nan 0.000 0.571 198 R N 6.536 126.387 120.500 -1.082 0.000 2.725 198 R HA 0.265 4.589 4.340 -0.026 0.000 0.277 198 R C -1.853 173.488 176.300 -1.599 0.000 0.987 198 R CA -1.607 53.868 56.100 -1.042 0.000 0.901 198 R CB 2.003 32.032 30.300 -0.453 0.000 1.207 198 R HN 0.215 nan 8.270 nan 0.000 0.463 199 P HA -0.070 nan 4.420 nan 0.000 0.216 199 P C -0.194 176.962 177.300 -0.240 0.000 1.153 199 P CA 0.760 63.528 63.100 -0.554 0.000 0.848 199 P CB 0.281 31.889 31.700 -0.153 0.000 0.787 200 V N 0.456 120.243 119.914 -0.213 0.000 2.448 200 V HA 0.332 4.437 4.120 -0.026 0.000 0.295 200 V C -2.364 173.657 176.094 -0.122 0.000 1.025 200 V CA -2.354 59.886 62.300 -0.100 0.000 0.859 200 V CB 1.433 33.236 31.823 -0.033 0.000 0.988 200 V HN -0.126 nan 8.190 nan 0.000 0.431 201 P HA 0.158 nan 4.420 nan 0.000 0.267 201 P C -0.878 176.402 177.300 -0.034 0.000 1.201 201 P CA -0.094 62.969 63.100 -0.062 0.000 0.775 201 P CB 0.533 32.217 31.700 -0.026 0.000 0.854 202 L N 3.690 124.903 121.223 -0.017 0.000 2.356 202 L HA 0.583 4.907 4.340 -0.026 0.000 0.277 202 L C -0.811 176.090 176.870 0.051 0.000 0.996 202 L CA -0.610 54.239 54.840 0.016 0.000 0.822 202 L CB 0.963 43.027 42.059 0.008 0.000 1.256 202 L HN 0.249 nan 8.230 nan 0.000 0.413 203 I N 0.925 121.541 120.570 0.077 0.000 2.404 203 I HA 0.628 4.782 4.170 -0.026 0.000 0.293 203 I C -0.747 175.520 176.117 0.251 0.000 0.992 203 I CA -0.517 60.863 61.300 0.133 0.000 1.149 203 I CB 1.765 39.782 38.000 0.028 0.000 1.315 203 I HN 0.582 nan 8.210 nan 0.000 0.446 204 E N 4.112 124.501 120.200 0.316 0.000 2.191 204 E HA 0.751 5.085 4.350 -0.026 0.000 0.278 204 E C -0.220 176.625 176.600 0.409 0.000 0.972 204 E CA -0.807 55.789 56.400 0.327 0.000 0.804 204 E CB 2.207 32.095 29.700 0.313 0.000 1.110 204 E HN 0.933 nan 8.360 nan 0.000 0.394 205 G N 0.639 109.537 108.800 0.164 0.000 2.690 205 G HA2 0.520 4.465 3.960 -0.026 0.000 0.293 205 G HA3 0.520 4.465 3.960 -0.026 0.000 0.293 205 G C -1.409 173.284 174.900 -0.346 0.000 1.399 205 G CA -0.490 44.523 45.100 -0.145 0.000 0.890 205 G HN 0.333 nan 8.290 nan 0.000 0.485 206 V N 1.629 121.310 119.914 -0.389 0.000 2.444 206 V HA 0.449 4.554 4.120 -0.026 0.000 0.294 206 V C -0.137 175.835 176.094 -0.203 0.000 1.022 206 V CA -0.684 61.410 62.300 -0.344 0.000 0.850 206 V CB 1.416 32.971 31.823 -0.446 0.000 0.992 206 V HN 0.750 nan 8.190 nan 0.000 0.426 207 I N 6.678 127.116 120.570 -0.221 0.000 2.365 207 I HA 0.621 4.775 4.170 -0.026 0.000 0.291 207 I C -0.889 175.237 176.117 0.015 0.000 1.004 207 I CA -0.285 60.906 61.300 -0.181 0.000 1.311 207 I CB 0.830 38.659 38.000 -0.286 0.000 1.401 207 I HN 0.787 nan 8.210 nan 0.000 0.491 208 Y N 6.626 126.932 120.300 0.010 0.000 2.553 208 Y HA 0.772 5.306 4.550 -0.026 0.000 0.347 208 Y C -3.007 172.993 175.900 0.166 0.000 1.019 208 Y CA -3.247 54.893 58.100 0.067 0.000 1.032 208 Y CB 0.811 39.281 38.460 0.017 0.000 1.284 208 Y HN 0.312 nan 8.280 nan 0.000 0.466 209 P HA 0.210 nan 4.420 nan 0.000 0.279 209 P C -0.828 176.491 177.300 0.031 0.000 1.239 209 P CA 0.064 63.179 63.100 0.025 0.000 0.789 209 P CB 2.068 33.772 31.700 0.007 0.000 0.933 210 E N 1.753 121.852 120.200 -0.169 0.000 3.232 210 E HA 0.293 4.627 4.350 -0.026 0.000 0.248 210 E C 1.579 178.122 176.600 -0.096 0.000 1.048 210 E CA -0.915 55.449 56.400 -0.061 0.000 1.204 210 E CB 0.657 30.311 29.700 -0.078 0.000 1.535 210 E HN 0.307 nan 8.360 nan 0.000 0.567 211 R N 0.505 120.965 120.500 -0.067 0.000 2.064 211 R HA -0.025 4.300 4.340 -0.026 0.000 0.228 211 R C 0.370 176.618 176.300 -0.088 0.000 1.144 211 R CA 0.994 57.059 56.100 -0.058 0.000 0.932 211 R CB -0.200 30.081 30.300 -0.032 0.000 0.833 211 R HN 0.228 nan 8.270 nan 0.000 0.429 212 K N 1.956 122.293 120.400 -0.104 0.000 2.414 212 K HA -0.008 4.297 4.320 -0.026 0.000 0.272 212 K C 1.027 177.516 176.600 -0.186 0.000 0.993 212 K CA 0.257 56.475 56.287 -0.114 0.000 0.964 212 K CB 0.452 32.892 32.500 -0.100 0.000 0.925 212 K HN 0.120 nan 8.250 nan 0.000 0.487 213 K N 1.820 122.133 120.400 -0.146 0.000 2.152 213 K HA -0.154 4.151 4.320 -0.026 0.000 0.206 213 K C 0.906 177.348 176.600 -0.263 0.000 1.048 213 K CA 1.456 57.648 56.287 -0.159 0.000 0.933 213 K CB 0.049 32.507 32.500 -0.070 0.000 0.721 213 K HN 0.410 nan 8.250 nan 0.000 0.447 214 K N 1.292 121.515 120.400 -0.295 0.000 2.399 214 K HA 0.034 4.339 4.320 -0.026 0.000 0.204 214 K C -0.189 176.049 176.600 -0.603 0.000 1.023 214 K CA -0.149 55.928 56.287 -0.350 0.000 1.127 214 K CB 0.626 33.001 32.500 -0.210 0.000 0.856 214 K HN 0.289 nan 8.250 nan 0.000 0.514 215 E N 0.186 120.006 120.200 -0.633 0.000 2.231 215 E HA 0.239 4.573 4.350 -0.026 0.000 0.277 215 E C -1.084 175.096 176.600 -0.702 0.000 0.999 215 E CA -0.666 55.428 56.400 -0.511 0.000 0.827 215 E CB 0.877 30.398 29.700 -0.297 0.000 1.101 215 E HN -0.052 nan 8.360 nan 0.000 0.393 216 Y N 1.046 121.250 120.300 -0.160 0.000 2.562 216 Y HA 0.381 4.915 4.550 -0.026 0.000 0.345 216 Y C -0.523 175.224 175.900 -0.255 0.000 1.045 216 Y CA -1.185 56.801 58.100 -0.191 0.000 1.028 216 Y CB 2.603 40.984 38.460 -0.132 0.000 1.297 216 Y HN 0.582 nan 8.280 nan 0.000 0.463 217 N N 0.738 119.221 118.700 -0.363 0.000 2.346 217 N HA 0.571 5.295 4.740 -0.026 0.000 0.289 217 N C -1.982 173.213 175.510 -0.525 0.000 1.027 217 N CA -0.491 52.235 53.050 -0.540 0.000 0.864 217 N CB 1.929 39.885 38.487 -0.885 0.000 1.370 217 N HN 0.364 nan 8.380 nan 0.000 0.481 218 V N 4.419 124.171 119.914 -0.270 0.000 2.347 218 V HA 0.470 4.574 4.120 -0.026 0.000 0.280 218 V C 0.362 176.288 176.094 -0.280 0.000 1.021 218 V CA -0.828 61.267 62.300 -0.341 0.000 0.847 218 V CB 1.005 32.574 31.823 -0.424 0.000 0.990 218 V HN 0.616 nan 8.190 nan 0.000 0.444 219 I N 4.767 125.239 120.570 -0.163 0.000 2.412 219 I HA 0.629 4.784 4.170 -0.026 0.000 0.296 219 I C -0.989 175.105 176.117 -0.037 0.000 0.987 219 I CA -0.305 61.006 61.300 0.018 0.000 1.180 219 I CB 1.276 39.420 38.000 0.239 0.000 1.340 219 I HN 0.456 nan 8.210 nan 0.000 0.455 220 F N 5.475 125.567 119.950 0.236 0.000 2.509 220 F HA 0.424 4.935 4.527 -0.026 0.000 0.334 220 F C 1.358 177.236 175.800 0.130 0.000 1.060 220 F CA -0.634 57.519 58.000 0.255 0.000 0.997 220 F CB 0.923 40.014 39.000 0.152 0.000 1.271 220 F HN 0.430 nan 8.300 nan 0.000 0.488 221 K N 0.287 120.929 120.400 0.403 0.000 2.160 221 K HA -0.200 4.105 4.320 -0.026 0.000 0.206 221 K C 0.817 177.438 176.600 0.035 0.000 1.047 221 K CA 1.973 58.344 56.287 0.141 0.000 0.930 221 K CB -0.222 32.420 32.500 0.236 0.000 0.720 221 K HN 0.731 nan 8.250 nan 0.000 0.450 222 D N -0.611 119.852 120.400 0.104 0.000 2.325 222 D HA -0.031 4.593 4.640 -0.026 0.000 0.234 222 D C -0.512 175.817 176.300 0.049 0.000 1.122 222 D CA 0.035 54.068 54.000 0.055 0.000 0.850 222 D CB -0.522 40.308 40.800 0.050 0.000 0.921 222 D HN 0.190 nan 8.370 nan 0.000 0.513 223 N N -1.148 117.577 118.700 0.041 0.000 2.741 223 N HA -0.161 4.563 4.740 -0.026 0.000 0.250 223 N C -0.899 174.678 175.510 0.111 0.000 1.115 223 N CA 1.274 54.349 53.050 0.040 0.000 0.724 223 N CB -1.771 36.714 38.487 -0.003 0.000 1.090 223 N HN 0.217 nan 8.380 nan 0.000 0.558 224 T N 0.205 114.876 114.554 0.195 0.000 2.869 224 T HA 0.354 4.689 4.350 -0.026 0.000 0.295 224 T C 0.699 175.622 174.700 0.372 0.000 0.987 224 T CA 0.088 62.330 62.100 0.236 0.000 1.109 224 T CB 1.236 70.204 68.868 0.168 0.000 0.932 224 T HN -0.011 nan 8.240 nan 0.000 0.518 225 T N 3.339 118.049 114.554 0.261 0.000 2.943 225 T HA 0.612 4.946 4.350 -0.026 0.000 0.284 225 T C -0.424 174.434 174.700 0.265 0.000 1.015 225 T CA -0.728 61.507 62.100 0.224 0.000 1.042 225 T CB 1.036 69.985 68.868 0.135 0.000 1.055 225 T HN 0.457 nan 8.240 nan 0.000 0.500 226 K N 1.829 122.356 120.400 0.211 0.000 2.571 226 K HA 0.313 4.617 4.320 -0.026 0.000 0.252 226 K C -1.387 175.288 176.600 0.126 0.000 0.956 226 K CA -0.649 55.770 56.287 0.220 0.000 0.822 226 K CB 1.237 33.982 32.500 0.409 0.000 1.286 226 K HN 0.435 nan 8.250 nan 0.000 0.439 227 K N 2.608 123.069 120.400 0.102 0.000 2.138 227 K HA 0.526 4.830 4.320 -0.026 0.000 0.263 227 K C -0.347 176.317 176.600 0.106 0.000 0.965 227 K CA -0.882 55.447 56.287 0.071 0.000 0.868 227 K CB 1.859 34.386 32.500 0.044 0.000 1.083 227 K HN 0.423 nan 8.250 nan 0.000 0.443 228 V N -1.548 118.442 119.914 0.126 0.000 3.160 228 V HA 0.499 4.603 4.120 -0.026 0.000 0.310 228 V C -1.033 175.178 176.094 0.195 0.000 1.181 228 V CA -0.961 61.431 62.300 0.153 0.000 1.047 228 V CB 2.169 34.092 31.823 0.167 0.000 1.068 228 V HN 0.815 nan 8.190 nan 0.000 0.441 229 H N 0.009 119.142 119.070 0.104 0.000 2.667 229 H HA 0.849 5.389 4.556 -0.026 0.000 0.353 229 H C -0.223 175.165 175.328 0.100 0.000 1.072 229 H CA 0.496 56.613 56.048 0.115 0.000 1.214 229 H CB 1.678 31.471 29.762 0.051 0.000 1.600 229 H HN 1.424 nan 8.280 nan 0.000 0.527 230 G N 3.113 112.103 108.800 0.317 0.000 2.356 230 G HA2 0.020 3.964 3.960 -0.026 0.000 0.294 230 G HA3 0.020 3.964 3.960 -0.026 0.000 0.294 230 G C -0.312 174.695 174.900 0.179 0.000 1.423 230 G CA -0.536 44.679 45.100 0.191 0.000 0.806 230 G HN 0.442 nan 8.290 nan 0.000 0.527 231 D N -0.369 120.048 120.400 0.028 0.000 2.144 231 D HA 0.122 4.746 4.640 -0.026 0.000 0.199 231 D C 0.785 177.141 176.300 0.093 0.000 0.984 231 D CA 2.228 56.264 54.000 0.059 0.000 0.834 231 D CB 0.211 41.010 40.800 -0.003 0.000 0.955 231 D HN 0.684 nan 8.370 nan 0.000 0.465 232 D N -2.940 117.449 120.400 -0.019 0.000 2.664 232 D HA 0.516 5.141 4.640 -0.026 0.000 0.292 232 D C 0.552 176.533 176.300 -0.532 0.000 1.214 232 D CA -0.435 53.513 54.000 -0.088 0.000 0.932 232 D CB 0.681 41.451 40.800 -0.049 0.000 1.420 232 D HN -0.128 nan 8.370 nan 0.000 0.471 233 A N -0.112 122.217 122.820 -0.820 0.000 1.908 233 A HA -0.098 4.207 4.320 -0.026 0.000 0.218 233 A C 2.058 179.399 177.584 -0.405 0.000 1.181 233 A CA 1.458 52.936 52.037 -0.932 0.000 0.627 233 A CB -1.113 17.515 19.000 -0.619 0.000 0.818 233 A HN 0.597 nan 8.150 nan 0.000 0.445 234 I N -0.585 119.840 120.570 -0.242 0.000 2.142 234 I HA -0.260 3.894 4.170 -0.026 0.000 0.240 234 I C 2.339 178.403 176.117 -0.088 0.000 1.078 234 I CA 1.490 62.721 61.300 -0.114 0.000 1.343 234 I CB -0.323 37.632 38.000 -0.076 0.000 1.046 234 I HN 0.296 nan 8.210 nan 0.000 0.405 235 I N 0.645 121.131 120.570 -0.140 0.000 2.142 235 I HA -0.299 3.855 4.170 -0.026 0.000 0.240 235 I C 2.805 178.849 176.117 -0.122 0.000 1.078 235 I CA 1.424 62.631 61.300 -0.156 0.000 1.343 235 I CB -0.577 37.241 38.000 -0.303 0.000 1.046 235 I HN 0.188 nan 8.210 nan 0.000 0.405 236 A N 0.064 122.795 122.820 -0.149 0.000 1.884 236 A HA -0.323 3.982 4.320 -0.026 0.000 0.219 236 A C 2.332 179.912 177.584 -0.007 0.000 1.197 236 A CA 2.048 54.043 52.037 -0.070 0.000 0.637 236 A CB -1.271 17.664 19.000 -0.109 0.000 0.827 236 A HN 0.530 nan 8.150 nan 0.000 0.450 237 Y N 0.471 120.699 120.300 -0.119 0.000 2.337 237 Y HA -0.106 4.429 4.550 -0.026 0.000 0.293 237 Y C 2.806 178.703 175.900 -0.005 0.000 1.123 237 Y CA 1.841 59.910 58.100 -0.052 0.000 1.201 237 Y CB -0.133 38.288 38.460 -0.065 0.000 1.011 237 Y HN 0.351 nan 8.280 nan 0.000 0.545 238 T N 0.806 115.392 114.554 0.053 0.000 2.708 238 T HA -0.200 4.135 4.350 -0.026 0.000 0.266 238 T C 1.904 176.631 174.700 0.045 0.000 1.037 238 T CA 1.778 63.903 62.100 0.041 0.000 1.146 238 T CB -0.449 68.445 68.868 0.043 0.000 0.865 238 T HN 0.276 nan 8.240 nan 0.000 0.435 239 L N 0.763 122.033 121.223 0.078 0.000 2.141 239 L HA -0.048 4.276 4.340 -0.026 0.000 0.209 239 L C 2.502 179.413 176.870 0.068 0.000 1.094 239 L CA 1.216 56.200 54.840 0.240 0.000 0.763 239 L CB -0.611 41.592 42.059 0.240 0.000 0.908 239 L HN 0.232 nan 8.230 nan 0.000 0.437 240 D N -0.132 120.208 120.400 -0.100 0.000 2.218 240 D HA -0.148 4.477 4.640 -0.026 0.000 0.204 240 D C 2.071 178.250 176.300 -0.201 0.000 0.976 240 D CA 1.139 55.016 54.000 -0.204 0.000 0.853 240 D CB 0.254 40.848 40.800 -0.343 0.000 0.939 240 D HN 0.090 nan 8.370 nan 0.000 0.481 241 S N -1.098 114.492 115.700 -0.183 0.000 2.486 241 S HA 0.165 4.620 4.470 -0.026 0.000 0.220 241 S C 1.793 176.388 174.600 -0.008 0.000 1.011 241 S CA -0.101 58.030 58.200 -0.115 0.000 0.921 241 S CB 0.287 63.429 63.200 -0.096 0.000 0.785 241 S HN 0.286 nan 8.310 nan 0.000 0.517 242 L N 1.572 122.834 121.223 0.065 0.000 2.416 242 L HA 0.084 4.408 4.340 -0.026 0.000 0.216 242 L C 1.857 178.842 176.870 0.192 0.000 1.098 242 L CA 0.563 55.467 54.840 0.108 0.000 0.840 242 L CB -0.380 41.743 42.059 0.106 0.000 0.981 242 L HN 0.287 nan 8.230 nan 0.000 0.462 243 S N -0.994 114.853 115.700 0.246 0.000 2.660 243 S HA -0.028 4.427 4.470 -0.026 0.000 0.228 243 S C 1.500 176.138 174.600 0.063 0.000 0.966 243 S CA 0.363 58.675 58.200 0.186 0.000 0.940 243 S CB -0.076 63.110 63.200 -0.023 0.000 0.773 243 S HN 0.373 nan 8.310 nan 0.000 0.535 244 K N 0.679 121.102 120.400 0.038 0.000 2.391 244 K HA 0.222 4.526 4.320 -0.026 0.000 0.197 244 K C -0.327 176.277 176.600 0.007 0.000 1.087 244 K CA 0.058 56.351 56.287 0.010 0.000 1.012 244 K CB 0.367 32.862 32.500 -0.008 0.000 0.925 244 K HN 0.172 nan 8.250 nan 0.000 0.547 245 N N -0.368 118.336 118.700 0.005 0.000 3.057 245 N HA -0.102 4.622 4.740 -0.026 0.000 0.246 245 N C -0.063 175.407 175.510 -0.066 0.000 1.093 245 N CA 0.846 53.879 53.050 -0.029 0.000 0.818 245 N CB -1.610 36.860 38.487 -0.029 0.000 1.115 245 N HN 0.341 nan 8.380 nan 0.000 0.545 246 G N -0.396 108.375 108.800 -0.048 0.000 2.508 246 G HA2 0.555 4.499 3.960 -0.026 0.000 0.278 246 G HA3 0.555 4.499 3.960 -0.026 0.000 0.278 246 G C -0.224 174.615 174.900 -0.100 0.000 1.389 246 G CA -0.167 44.894 45.100 -0.066 0.000 1.050 246 G HN 0.124 nan 8.290 nan 0.000 0.522 247 Q N -1.687 118.055 119.800 -0.097 0.000 2.394 247 Q HA 0.561 4.886 4.340 -0.026 0.000 0.273 247 Q C -1.335 174.704 176.000 0.065 0.000 1.089 247 Q CA -0.739 55.002 55.803 -0.103 0.000 0.812 247 Q CB 2.966 31.478 28.738 -0.377 0.000 1.353 247 Q HN 0.293 nan 8.270 nan 0.000 0.438 248 V N 2.395 122.402 119.914 0.156 0.000 2.540 248 V HA 0.472 4.576 4.120 -0.026 0.000 0.302 248 V C -0.676 175.518 176.094 0.167 0.000 1.035 248 V CA -0.749 61.645 62.300 0.157 0.000 0.873 248 V CB 1.743 33.624 31.823 0.098 0.000 0.992 248 V HN 0.623 nan 8.190 nan 0.000 0.428 249 L N 4.600 125.850 121.223 0.045 0.000 2.287 249 L HA 0.600 4.924 4.340 -0.026 0.000 0.287 249 L C -0.643 176.068 176.870 -0.265 0.000 1.022 249 L CA -0.577 54.123 54.840 -0.234 0.000 0.814 249 L CB 1.848 43.712 42.059 -0.325 0.000 1.217 249 L HN 0.425 nan 8.230 nan 0.000 0.420 250 V N 3.961 123.682 119.914 -0.322 0.000 2.435 250 V HA 0.386 4.490 4.120 -0.026 0.000 0.290 250 V C -0.400 175.463 176.094 -0.384 0.000 1.030 250 V CA -0.435 61.734 62.300 -0.219 0.000 0.881 250 V CB 1.505 33.273 31.823 -0.091 0.000 0.983 250 V HN 0.366 nan 8.190 nan 0.000 0.445 251 F N 4.909 124.847 119.950 -0.021 0.000 2.411 251 F HA 0.674 5.186 4.527 -0.025 0.000 0.352 251 F C 0.624 176.416 175.800 -0.013 0.000 1.123 251 F CA -0.540 57.449 58.000 -0.018 0.000 1.044 251 F CB 1.262 40.244 39.000 -0.030 0.000 1.135 251 F HN 0.297 nan 8.300 nan 0.000 0.461 252 R N 1.339 121.934 120.500 0.159 0.000 2.832 252 R HA 0.319 4.643 4.340 -0.026 0.000 0.271 252 R C 0.395 176.753 176.300 0.098 0.000 0.996 252 R CA -0.914 55.242 56.100 0.094 0.000 0.977 252 R CB 0.991 31.320 30.300 0.048 0.000 1.168 252 R HN 0.461 nan 8.270 nan 0.000 0.482 253 N N -0.015 118.716 118.700 0.053 0.000 2.216 253 N HA -0.082 4.643 4.740 -0.026 0.000 0.183 253 N C 0.276 175.800 175.510 0.023 0.000 1.017 253 N CA 0.904 53.975 53.050 0.035 0.000 0.861 253 N CB 0.254 38.748 38.487 0.013 0.000 0.986 253 N HN 0.605 nan 8.380 nan 0.000 0.428 254 S N -1.197 114.507 115.700 0.007 0.000 2.600 254 S HA 0.458 4.912 4.470 -0.026 0.000 0.300 254 S C 0.853 175.418 174.600 -0.058 0.000 1.087 254 S CA -0.854 57.329 58.200 -0.029 0.000 0.965 254 S CB 2.445 65.622 63.200 -0.038 0.000 1.089 254 S HN 0.029 nan 8.310 nan 0.000 0.496 255 R N 0.857 121.266 120.500 -0.152 0.000 2.073 255 R HA -0.022 4.302 4.340 -0.026 0.000 0.234 255 R C 1.669 177.834 176.300 -0.226 0.000 1.134 255 R CA 1.308 57.210 56.100 -0.331 0.000 0.952 255 R CB -0.315 29.562 30.300 -0.704 0.000 0.850 255 R HN 0.556 nan 8.270 nan 0.000 0.433 256 K N 0.381 120.676 120.400 -0.176 0.000 2.097 256 K HA -0.116 4.189 4.320 -0.026 0.000 0.206 256 K C 1.918 178.460 176.600 -0.098 0.000 1.049 256 K CA 1.118 57.325 56.287 -0.133 0.000 0.933 256 K CB -0.242 32.202 32.500 -0.093 0.000 0.717 256 K HN 0.102 nan 8.250 nan 0.000 0.442 257 M N 0.981 120.543 119.600 -0.065 0.000 2.254 257 M HA 0.018 4.483 4.480 -0.026 0.000 0.265 257 M C 1.929 178.214 176.300 -0.024 0.000 1.066 257 M CA 1.133 56.411 55.300 -0.036 0.000 1.123 257 M CB -0.473 32.116 32.600 -0.018 0.000 1.388 257 M HN 0.125 nan 8.290 nan 0.000 0.425 258 A N -0.389 122.424 122.820 -0.012 0.000 1.902 258 A HA -0.187 4.118 4.320 -0.026 0.000 0.217 258 A C 2.035 179.607 177.584 -0.020 0.000 1.181 258 A CA 1.959 54.015 52.037 0.032 0.000 0.623 258 A CB -0.781 18.301 19.000 0.137 0.000 0.818 258 A HN 0.627 nan 8.150 nan 0.000 0.443 259 E N 0.122 120.216 120.200 -0.177 0.000 2.051 259 E HA -0.158 4.177 4.350 -0.026 0.000 0.192 259 E C 2.420 178.944 176.600 -0.126 0.000 0.991 259 E CA 1.613 57.795 56.400 -0.364 0.000 0.799 259 E CB -0.197 29.168 29.700 -0.558 0.000 0.748 259 E HN 0.792 nan 8.360 nan 0.000 0.449 260 S N 0.144 115.795 115.700 -0.081 0.000 2.395 260 S HA -0.086 4.369 4.470 -0.026 0.000 0.225 260 S C 2.134 176.736 174.600 0.002 0.000 1.027 260 S CA 1.235 59.417 58.200 -0.030 0.000 0.965 260 S CB -0.403 62.781 63.200 -0.026 0.000 0.812 260 S HN 0.064 nan 8.310 nan 0.000 0.482 261 T N 2.851 117.406 114.554 0.001 0.000 2.684 261 T HA 0.012 4.347 4.350 -0.026 0.000 0.267 261 T C 2.206 176.926 174.700 0.033 0.000 1.036 261 T CA 1.559 63.667 62.100 0.014 0.000 1.148 261 T CB -0.918 67.954 68.868 0.006 0.000 0.863 261 T HN 0.645 nan 8.240 nan 0.000 0.436 262 A N 1.256 124.104 122.820 0.047 0.000 1.908 262 A HA -0.063 4.242 4.320 -0.026 0.000 0.218 262 A C 2.237 179.868 177.584 0.079 0.000 1.181 262 A CA 1.457 53.541 52.037 0.078 0.000 0.627 262 A CB -0.842 18.247 19.000 0.148 0.000 0.818 262 A HN 0.416 nan 8.150 nan 0.000 0.445 263 L N -0.622 120.643 121.223 0.070 0.000 2.093 263 L HA -0.061 4.264 4.340 -0.026 0.000 0.208 263 L C 2.159 179.079 176.870 0.083 0.000 1.085 263 L CA 2.409 57.291 54.840 0.069 0.000 0.755 263 L CB -0.587 41.502 42.059 0.050 0.000 0.904 263 L HN 0.335 nan 8.230 nan 0.000 0.435 264 K N -0.298 120.153 120.400 0.086 0.000 2.026 264 K HA -0.090 4.214 4.320 -0.026 0.000 0.208 264 K C 1.989 178.700 176.600 0.185 0.000 1.048 264 K CA 1.902 58.266 56.287 0.128 0.000 0.929 264 K CB -0.260 32.288 32.500 0.080 0.000 0.713 264 K HN 0.385 nan 8.250 nan 0.000 0.439 265 I N 0.240 120.879 120.570 0.116 0.000 2.226 265 I HA -0.261 3.893 4.170 -0.026 0.000 0.245 265 I C 2.260 178.466 176.117 0.149 0.000 1.100 265 I CA 1.105 62.476 61.300 0.118 0.000 1.374 265 I CB -0.417 37.618 38.000 0.059 0.000 1.057 265 I HN 0.199 nan 8.210 nan 0.000 0.413 266 A N 1.354 124.236 122.820 0.103 0.000 1.948 266 A HA -0.247 4.057 4.320 -0.026 0.000 0.220 266 A C 1.983 179.603 177.584 0.059 0.000 1.177 266 A CA 2.119 54.195 52.037 0.065 0.000 0.636 266 A CB -0.762 18.269 19.000 0.051 0.000 0.815 266 A HN 0.448 nan 8.150 nan 0.000 0.449 267 N N -1.307 117.447 118.700 0.089 0.000 2.364 267 N HA -0.131 4.594 4.740 -0.026 0.000 0.183 267 N C 0.504 175.952 175.510 -0.102 0.000 1.022 267 N CA 1.160 54.207 53.050 -0.006 0.000 0.883 267 N CB -0.467 38.009 38.487 -0.019 0.000 0.965 267 N HN 0.705 nan 8.380 nan 0.000 0.438 268 Y N -0.237 120.077 120.300 0.024 0.000 2.571 268 Y HA 0.291 4.825 4.550 -0.026 0.000 0.275 268 Y C 0.634 176.518 175.900 -0.025 0.000 1.179 268 Y CA -0.188 57.945 58.100 0.056 0.000 1.242 268 Y CB 0.210 38.735 38.460 0.108 0.000 1.126 268 Y HN -0.125 nan 8.280 nan 0.000 0.524 269 M N 0.620 120.209 119.600 -0.018 0.000 3.428 269 M HA 0.227 4.692 4.480 -0.026 0.000 0.229 269 M C -0.372 175.795 176.300 -0.221 0.000 1.299 269 M CA 0.317 55.495 55.300 -0.202 0.000 1.405 269 M CB -0.242 32.277 32.600 -0.136 0.000 1.119 269 M HN 0.324 nan 8.290 nan 0.000 0.613 270 N N 0.433 118.992 118.700 -0.234 0.000 2.564 270 N HA 0.065 4.789 4.740 -0.026 0.000 0.202 270 N C 1.067 176.521 175.510 -0.092 0.000 1.052 270 N CA 0.349 53.334 53.050 -0.108 0.000 0.872 270 N CB -0.004 38.481 38.487 -0.005 0.000 1.303 270 N HN 0.451 nan 8.380 nan 0.000 0.440 271 F N 0.355 120.309 119.950 0.008 0.000 2.811 271 F HA 0.373 4.884 4.527 -0.026 0.000 0.301 271 F C -0.081 175.718 175.800 -0.002 0.000 1.151 271 F CA -0.550 57.452 58.000 0.003 0.000 1.412 271 F CB -0.760 38.245 39.000 0.009 0.000 1.113 271 F HN -0.324 nan 8.300 nan 0.000 0.579 272 V N 0.876 120.512 119.914 -0.463 0.000 2.432 272 V HA 0.215 4.319 4.120 -0.026 0.000 0.275 272 V C 0.557 176.568 176.094 -0.138 0.000 1.043 272 V CA -1.000 61.093 62.300 -0.345 0.000 0.925 272 V CB 0.807 32.334 31.823 -0.495 0.000 0.985 272 V HN 0.211 nan 8.190 nan 0.000 0.466 273 S N 6.257 121.923 115.700 -0.056 0.000 2.555 273 S HA 0.350 4.805 4.470 -0.026 0.000 0.293 273 S C -0.240 174.316 174.600 -0.073 0.000 1.248 273 S CA 0.044 58.217 58.200 -0.046 0.000 1.096 273 S CB -0.469 62.717 63.200 -0.024 0.000 0.881 273 S HN 0.487 nan 8.310 nan 0.000 0.498 274 L N 2.770 123.951 121.223 -0.070 0.000 2.401 274 L HA 0.408 4.732 4.340 -0.026 0.000 0.266 274 L C -0.148 176.688 176.870 -0.055 0.000 0.991 274 L CA -0.891 53.906 54.840 -0.072 0.000 0.818 274 L CB 1.747 43.760 42.059 -0.078 0.000 1.321 274 L HN 0.387 nan 8.230 nan 0.000 0.413 275 D N 1.856 122.222 120.400 -0.056 0.000 2.470 275 D HA 0.004 4.628 4.640 -0.026 0.000 0.226 275 D C 0.787 177.064 176.300 -0.039 0.000 1.196 275 D CA 0.197 54.170 54.000 -0.045 0.000 0.979 275 D CB 1.059 41.829 40.800 -0.049 0.000 1.059 275 D HN 0.535 nan 8.370 nan 0.000 0.515 276 E N 2.564 122.744 120.200 -0.034 0.000 2.150 276 E HA -0.147 4.187 4.350 -0.026 0.000 0.193 276 E C 1.040 177.626 176.600 -0.024 0.000 0.985 276 E CA 1.139 57.522 56.400 -0.030 0.000 0.814 276 E CB 0.247 29.931 29.700 -0.027 0.000 0.752 276 E HN 0.398 nan 8.360 nan 0.000 0.466 277 N N -0.105 118.582 118.700 -0.022 0.000 2.300 277 N HA -0.011 4.713 4.740 -0.026 0.000 0.179 277 N C 1.449 176.948 175.510 -0.018 0.000 1.016 277 N CA 1.150 54.190 53.050 -0.018 0.000 0.876 277 N CB -0.408 38.070 38.487 -0.015 0.000 0.979 277 N HN 0.213 nan 8.380 nan 0.000 0.432 278 A N 0.886 123.693 122.820 -0.022 0.000 1.933 278 A HA -0.035 4.270 4.320 -0.026 0.000 0.218 278 A C 2.111 179.682 177.584 -0.022 0.000 1.175 278 A CA 0.992 53.016 52.037 -0.022 0.000 0.628 278 A CB -0.753 18.230 19.000 -0.028 0.000 0.814 278 A HN 0.217 nan 8.150 nan 0.000 0.444 279 L N -1.089 120.119 121.223 -0.025 0.000 2.156 279 L HA -0.094 4.231 4.340 -0.026 0.000 0.208 279 L C 2.811 179.670 176.870 -0.020 0.000 1.095 279 L CA 1.235 56.061 54.840 -0.024 0.000 0.770 279 L CB -0.307 41.736 42.059 -0.028 0.000 0.914 279 L HN 0.426 nan 8.230 nan 0.000 0.439 280 S N -0.351 115.338 115.700 -0.018 0.000 2.402 280 S HA -0.208 4.246 4.470 -0.026 0.000 0.229 280 S C 1.885 176.477 174.600 -0.013 0.000 1.021 280 S CA 1.493 59.684 58.200 -0.015 0.000 0.974 280 S CB 0.013 63.204 63.200 -0.014 0.000 0.800 280 S HN 0.417 nan 8.310 nan 0.000 0.484 281 E N 1.082 121.274 120.200 -0.013 0.000 2.158 281 E HA 0.079 4.414 4.350 -0.026 0.000 0.191 281 E C 1.727 178.320 176.600 -0.011 0.000 0.982 281 E CA 0.924 57.317 56.400 -0.011 0.000 0.823 281 E CB -0.347 29.346 29.700 -0.011 0.000 0.766 281 E HN 0.605 nan 8.360 nan 0.000 0.468 282 I N 0.060 120.622 120.570 -0.013 0.000 2.394 282 I HA -0.192 3.962 4.170 -0.026 0.000 0.251 282 I C 1.860 177.967 176.117 -0.017 0.000 1.136 282 I CA 0.361 61.652 61.300 -0.014 0.000 1.425 282 I CB -0.103 37.889 38.000 -0.014 0.000 1.079 282 I HN 0.189 nan 8.210 nan 0.000 0.425 283 L N 0.861 122.074 121.223 -0.016 0.000 2.141 283 L HA -0.173 4.152 4.340 -0.026 0.000 0.209 283 L C 2.362 179.224 176.870 -0.013 0.000 1.094 283 L CA 1.751 56.581 54.840 -0.016 0.000 0.763 283 L CB -0.617 41.434 42.059 -0.014 0.000 0.908 283 L HN 0.067 nan 8.230 nan 0.000 0.437 284 K N -0.566 119.827 120.400 -0.011 0.000 2.062 284 K HA -0.147 4.157 4.320 -0.026 0.000 0.205 284 K C 2.064 178.659 176.600 -0.009 0.000 1.051 284 K CA 1.435 57.717 56.287 -0.009 0.000 0.941 284 K CB -0.107 32.389 32.500 -0.008 0.000 0.719 284 K HN 0.355 nan 8.250 nan 0.000 0.440 285 Q N -0.109 119.685 119.800 -0.010 0.000 2.124 285 Q HA -0.120 4.204 4.340 -0.026 0.000 0.202 285 Q C 1.909 177.901 176.000 -0.013 0.000 0.977 285 Q CA 1.383 57.180 55.803 -0.010 0.000 0.850 285 Q CB -0.233 28.499 28.738 -0.010 0.000 0.901 285 Q HN 0.228 nan 8.270 nan 0.000 0.429 286 L N 1.126 122.338 121.223 -0.017 0.000 2.012 286 L HA -0.217 4.107 4.340 -0.026 0.000 0.210 286 L C 1.672 178.533 176.870 -0.015 0.000 1.073 286 L CA 2.198 57.024 54.840 -0.023 0.000 0.748 286 L CB -0.666 41.376 42.059 -0.029 0.000 0.891 286 L HN 0.143 nan 8.230 nan 0.000 0.431 287 D N -0.823 119.571 120.400 -0.010 0.000 2.149 287 D HA -0.212 4.412 4.640 -0.026 0.000 0.198 287 D C 1.595 177.894 176.300 -0.003 0.000 0.990 287 D CA 1.458 55.455 54.000 -0.005 0.000 0.839 287 D CB -0.013 40.784 40.800 -0.004 0.000 0.948 287 D HN 0.457 nan 8.370 nan 0.000 0.460 288 D N -0.433 119.965 120.400 -0.004 0.000 2.224 288 D HA 0.003 4.627 4.640 -0.026 0.000 0.205 288 D C 0.450 176.749 176.300 -0.001 0.000 0.965 288 D CA 0.133 54.132 54.000 -0.002 0.000 0.852 288 D CB -0.152 40.647 40.800 -0.002 0.000 0.947 288 D HN 0.334 nan 8.370 nan 0.000 0.494 289 I N 1.607 122.174 120.570 -0.004 0.000 2.742 289 I HA -0.112 4.043 4.170 -0.026 0.000 0.287 289 I C 1.650 177.769 176.117 0.003 0.000 1.186 289 I CA 0.557 61.855 61.300 -0.004 0.000 1.417 289 I CB 0.677 38.670 38.000 -0.013 0.000 1.377 289 I HN -0.063 nan 8.210 nan 0.000 0.556 290 E N 4.707 124.912 120.200 0.009 0.000 2.340 290 E HA -0.002 4.332 4.350 -0.026 0.000 0.194 290 E C -0.042 176.573 176.600 0.025 0.000 0.996 290 E CA 0.348 56.759 56.400 0.018 0.000 0.869 290 E CB 0.516 30.228 29.700 0.020 0.000 0.835 290 E HN 0.527 nan 8.360 nan 0.000 0.493 291 E N 0.738 120.949 120.200 0.019 0.000 2.136 291 E HA 0.363 4.698 4.350 -0.026 0.000 0.246 291 E C -0.264 176.341 176.600 0.008 0.000 1.017 291 E CA -0.196 56.216 56.400 0.021 0.000 0.883 291 E CB 0.989 30.700 29.700 0.018 0.000 1.199 291 E HN 0.215 nan 8.360 nan 0.000 0.447 292 G N 0.273 109.082 108.800 0.015 0.000 2.404 292 G HA2 0.392 4.337 3.960 -0.026 0.000 0.298 292 G HA3 0.392 4.337 3.960 -0.026 0.000 0.298 292 G C -0.421 174.492 174.900 0.022 0.000 1.577 292 G CA -0.525 44.578 45.100 0.006 0.000 0.847 292 G HN 0.322 nan 8.290 nan 0.000 0.598 293 G N -0.177 108.640 108.800 0.028 0.000 2.503 293 G HA2 0.459 4.404 3.960 -0.026 0.000 0.257 293 G HA3 0.459 4.404 3.960 -0.026 0.000 0.257 293 G C 1.128 176.049 174.900 0.036 0.000 1.214 293 G CA 0.673 45.797 45.100 0.041 0.000 0.839 293 G HN 0.868 nan 8.290 nan 0.000 0.559 294 S N 0.623 116.345 115.700 0.037 0.000 2.356 294 S HA -0.125 4.330 4.470 -0.026 0.000 0.223 294 S C 1.947 176.569 174.600 0.037 0.000 1.032 294 S CA 1.494 59.714 58.200 0.032 0.000 1.005 294 S CB -0.168 63.050 63.200 0.030 0.000 0.867 294 S HN 0.662 nan 8.310 nan 0.000 0.449 295 D N 1.160 121.586 120.400 0.045 0.000 2.117 295 D HA -0.077 4.548 4.640 -0.026 0.000 0.197 295 D C 2.003 178.347 176.300 0.075 0.000 0.987 295 D CA 0.956 54.988 54.000 0.053 0.000 0.829 295 D CB -0.338 40.493 40.800 0.052 0.000 0.961 295 D HN 0.507 nan 8.370 nan 0.000 0.460 296 E N 0.605 120.855 120.200 0.083 0.000 2.058 296 E HA -0.167 4.168 4.350 -0.026 0.000 0.194 296 E C 2.033 178.669 176.600 0.060 0.000 0.997 296 E CA 0.986 57.451 56.400 0.109 0.000 0.801 296 E CB 0.020 29.767 29.700 0.078 0.000 0.746 296 E HN 0.220 nan 8.360 nan 0.000 0.450 297 K N 0.707 121.124 120.400 0.028 0.000 2.097 297 K HA -0.176 4.128 4.320 -0.026 0.000 0.206 297 K C 2.195 178.805 176.600 0.017 0.000 1.049 297 K CA 1.119 57.409 56.287 0.005 0.000 0.933 297 K CB -0.017 32.485 32.500 0.002 0.000 0.717 297 K HN 0.120 nan 8.250 nan 0.000 0.442 298 E N 1.122 121.342 120.200 0.033 0.000 2.038 298 E HA -0.206 4.128 4.350 -0.026 0.000 0.195 298 E C 1.988 178.619 176.600 0.052 0.000 1.000 298 E CA 1.100 57.522 56.400 0.036 0.000 0.803 298 E CB -0.008 29.714 29.700 0.037 0.000 0.750 298 E HN 0.211 nan 8.360 nan 0.000 0.448 299 L N 0.518 121.793 121.223 0.088 0.000 2.042 299 L HA -0.223 4.101 4.340 -0.026 0.000 0.210 299 L C 2.633 179.587 176.870 0.139 0.000 1.076 299 L CA 0.951 55.876 54.840 0.141 0.000 0.749 299 L CB -0.337 41.862 42.059 0.234 0.000 0.893 299 L HN 0.252 nan 8.230 nan 0.000 0.432 300 L N -0.435 120.831 121.223 0.071 0.000 2.156 300 L HA -0.173 4.151 4.340 -0.026 0.000 0.208 300 L C 2.649 179.510 176.870 -0.016 0.000 1.095 300 L CA 0.926 55.748 54.840 -0.031 0.000 0.770 300 L CB -0.428 41.539 42.059 -0.154 0.000 0.914 300 L HN 0.227 nan 8.230 nan 0.000 0.439 301 K N 0.200 120.599 120.400 -0.002 0.000 2.152 301 K HA -0.218 4.086 4.320 -0.026 0.000 0.206 301 K C 2.211 178.814 176.600 0.006 0.000 1.048 301 K CA 1.801 58.087 56.287 -0.002 0.000 0.933 301 K CB -0.006 32.496 32.500 0.004 0.000 0.721 301 K HN 0.341 nan 8.250 nan 0.000 0.447 302 S N -0.447 115.266 115.700 0.020 0.000 2.503 302 S HA 0.057 4.512 4.470 -0.026 0.000 0.217 302 S C 1.799 176.413 174.600 0.024 0.000 0.999 302 S CA -0.065 58.148 58.200 0.021 0.000 0.914 302 S CB -0.014 63.203 63.200 0.028 0.000 0.782 302 S HN 0.290 nan 8.310 nan 0.000 0.520 303 L N 0.425 121.668 121.223 0.032 0.000 2.168 303 L HA 0.284 4.609 4.340 -0.026 0.000 0.203 303 L C 2.410 179.285 176.870 0.009 0.000 1.078 303 L CA 0.737 55.598 54.840 0.035 0.000 0.780 303 L CB -0.384 41.714 42.059 0.066 0.000 0.939 303 L HN 0.267 nan 8.230 nan 0.000 0.451 304 I N 0.008 120.575 120.570 -0.006 0.000 2.315 304 I HA -0.239 3.916 4.170 -0.026 0.000 0.248 304 I C 2.700 178.807 176.117 -0.016 0.000 1.117 304 I CA 1.355 62.647 61.300 -0.015 0.000 1.404 304 I CB -0.248 37.736 38.000 -0.027 0.000 1.071 304 I HN 0.315 nan 8.210 nan 0.000 0.419 305 S N 0.617 116.308 115.700 -0.014 0.000 2.469 305 S HA -0.119 4.335 4.470 -0.026 0.000 0.238 305 S C 1.638 176.223 174.600 -0.024 0.000 0.998 305 S CA 0.870 59.059 58.200 -0.018 0.000 0.957 305 S CB -0.170 63.022 63.200 -0.013 0.000 0.764 305 S HN 0.340 nan 8.310 nan 0.000 0.514 306 K N 0.456 120.843 120.400 -0.021 0.000 2.373 306 K HA 0.288 4.592 4.320 -0.026 0.000 0.202 306 K C 1.130 177.706 176.600 -0.041 0.000 1.025 306 K CA 0.508 56.775 56.287 -0.033 0.000 1.115 306 K CB 0.275 32.763 32.500 -0.021 0.000 0.858 306 K HN 0.539 nan 8.250 nan 0.000 0.525 307 G N 1.337 110.119 108.800 -0.030 0.000 2.137 307 G HA2 -0.219 3.726 3.960 -0.026 0.000 0.237 307 G HA3 -0.219 3.726 3.960 -0.026 0.000 0.237 307 G C -0.059 174.841 174.900 0.001 0.000 1.002 307 G CA 0.240 45.323 45.100 -0.028 0.000 0.702 307 G HN 0.106 nan 8.290 nan 0.000 0.515 308 V N -0.642 119.279 119.914 0.011 0.000 2.914 308 V HA 0.997 5.102 4.120 -0.026 0.000 0.314 308 V C 0.324 176.431 176.094 0.022 0.000 1.084 308 V CA -0.197 62.122 62.300 0.032 0.000 0.963 308 V CB 1.944 33.788 31.823 0.036 0.000 1.025 308 V HN 1.591 nan 8.190 nan 0.000 0.432 309 A N 2.184 125.014 122.820 0.018 0.000 2.609 309 A HA 0.932 5.236 4.320 -0.026 0.000 0.291 309 A C -1.582 176.007 177.584 0.007 0.000 1.096 309 A CA -0.605 51.406 52.037 -0.044 0.000 0.684 309 A CB 1.762 20.704 19.000 -0.096 0.000 1.282 309 A HN 1.241 nan 8.150 nan 0.000 0.412 310 Y N -0.374 119.906 120.300 -0.033 0.000 2.567 310 Y HA 0.883 5.417 4.550 -0.026 0.000 0.333 310 Y C -0.233 175.640 175.900 -0.046 0.000 1.106 310 Y CA -1.011 57.071 58.100 -0.030 0.000 1.157 310 Y CB 1.281 39.742 38.460 0.002 0.000 1.277 310 Y HN 0.801 nan 8.280 nan 0.000 0.490 311 H N 2.279 121.366 119.070 0.028 0.000 3.181 311 H HA 0.362 4.902 4.556 -0.027 0.000 0.331 311 H C -1.848 173.517 175.328 0.063 0.000 0.988 311 H CA -0.603 55.387 56.048 -0.096 0.000 1.449 311 H CB 0.905 30.586 29.762 -0.136 0.000 1.749 311 H HN 1.117 nan 8.280 nan 0.000 0.501 312 H N 1.652 120.752 119.070 0.050 0.000 2.960 312 H HA 0.597 5.138 4.556 -0.026 0.000 0.323 312 H C -0.174 175.141 175.328 -0.023 0.000 1.326 312 H CA -0.267 55.841 56.048 0.099 0.000 1.124 312 H CB 0.703 30.544 29.762 0.133 0.000 1.853 312 H HN 0.309 nan 8.280 nan 0.000 0.536 313 A N 0.173 123.154 122.820 0.269 0.000 2.206 313 A HA 0.176 4.481 4.320 -0.026 0.000 0.211 313 A C 2.147 179.830 177.584 0.164 0.000 1.158 313 A CA 0.902 53.024 52.037 0.141 0.000 0.761 313 A CB -1.333 17.735 19.000 0.113 0.000 0.801 313 A HN 0.894 nan 8.150 nan 0.000 0.473 314 G N 0.028 109.055 108.800 0.378 0.000 2.432 314 G HA2 -0.004 3.940 3.960 -0.026 0.000 0.219 314 G HA3 -0.004 3.940 3.960 -0.026 0.000 0.219 314 G C 0.729 175.727 174.900 0.164 0.000 1.135 314 G CA 0.261 45.540 45.100 0.297 0.000 0.767 314 G HN 0.452 nan 8.290 nan 0.000 0.550 315 L N 1.954 123.198 121.223 0.034 0.000 2.397 315 L HA 0.263 4.588 4.340 -0.026 0.000 0.271 315 L C 1.206 178.029 176.870 -0.078 0.000 1.148 315 L CA -0.658 54.127 54.840 -0.092 0.000 0.825 315 L CB 1.136 43.025 42.059 -0.284 0.000 1.117 315 L HN 0.220 nan 8.230 nan 0.000 0.456 316 S N 1.843 117.505 115.700 -0.062 0.000 2.587 316 S HA 0.013 4.467 4.470 -0.026 0.000 0.260 316 S C 0.967 175.523 174.600 -0.073 0.000 1.353 316 S CA -0.361 57.807 58.200 -0.053 0.000 0.995 316 S CB 0.933 64.112 63.200 -0.036 0.000 0.912 316 S HN 0.746 nan 8.310 nan 0.000 0.568 317 K N 0.862 121.232 120.400 -0.049 0.000 2.057 317 K HA -0.130 4.175 4.320 -0.026 0.000 0.207 317 K C 2.300 178.877 176.600 -0.038 0.000 1.049 317 K CA 1.334 57.598 56.287 -0.039 0.000 0.931 317 K CB -0.963 31.523 32.500 -0.022 0.000 0.714 317 K HN 0.769 nan 8.250 nan 0.000 0.440 318 A N 1.315 124.115 122.820 -0.034 0.000 1.917 318 A HA -0.167 4.137 4.320 -0.026 0.000 0.219 318 A C 2.126 179.682 177.584 -0.046 0.000 1.182 318 A CA 1.508 53.528 52.037 -0.029 0.000 0.633 318 A CB -0.618 18.370 19.000 -0.021 0.000 0.819 318 A HN 0.345 nan 8.150 nan 0.000 0.448 319 L N -1.516 119.663 121.223 -0.074 0.000 2.044 319 L HA -0.141 4.183 4.340 -0.026 0.000 0.205 319 L C 2.899 179.687 176.870 -0.136 0.000 1.075 319 L CA 1.369 56.143 54.840 -0.111 0.000 0.747 319 L CB -0.472 41.502 42.059 -0.143 0.000 0.903 319 L HN 0.338 nan 8.230 nan 0.000 0.435 320 R N 0.015 120.418 120.500 -0.163 0.000 2.105 320 R HA -0.176 4.148 4.340 -0.026 0.000 0.239 320 R C 1.865 178.158 176.300 -0.011 0.000 1.135 320 R CA 1.649 57.648 56.100 -0.168 0.000 0.967 320 R CB -0.381 29.780 30.300 -0.232 0.000 0.861 320 R HN 0.373 nan 8.270 nan 0.000 0.442 321 D N 0.693 121.088 120.400 -0.008 0.000 2.144 321 D HA -0.164 4.460 4.640 -0.026 0.000 0.199 321 D C 1.811 178.120 176.300 0.015 0.000 0.984 321 D CA 0.799 54.810 54.000 0.020 0.000 0.834 321 D CB -0.141 40.666 40.800 0.012 0.000 0.955 321 D HN 0.170 nan 8.370 nan 0.000 0.465 322 L N 0.129 121.345 121.223 -0.010 0.000 2.072 322 L HA -0.058 4.266 4.340 -0.026 0.000 0.205 322 L C 2.118 178.987 176.870 -0.002 0.000 1.079 322 L CA 0.940 55.773 54.840 -0.011 0.000 0.752 322 L CB -0.056 41.984 42.059 -0.031 0.000 0.906 322 L HN -0.052 nan 8.230 nan 0.000 0.436 323 I N -0.098 120.462 120.570 -0.016 0.000 2.179 323 I HA -0.285 3.869 4.170 -0.026 0.000 0.242 323 I C 2.392 178.547 176.117 0.063 0.000 1.088 323 I CA 1.527 62.827 61.300 0.000 0.000 1.357 323 I CB -0.400 37.575 38.000 -0.042 0.000 1.051 323 I HN 0.300 nan 8.210 nan 0.000 0.409 324 E N 0.496 120.745 120.200 0.082 0.000 2.085 324 E HA -0.267 4.067 4.350 -0.026 0.000 0.194 324 E C 2.153 178.823 176.600 0.117 0.000 0.994 324 E CA 1.243 57.697 56.400 0.089 0.000 0.801 324 E CB -0.093 29.659 29.700 0.086 0.000 0.743 324 E HN 0.417 nan 8.360 nan 0.000 0.453 325 E N -0.023 120.226 120.200 0.082 0.000 2.152 325 E HA -0.118 4.216 4.350 -0.026 0.000 0.192 325 E C 2.177 178.816 176.600 0.066 0.000 0.983 325 E CA 0.814 57.256 56.400 0.070 0.000 0.818 325 E CB -0.078 29.648 29.700 0.044 0.000 0.758 325 E HN 0.296 nan 8.360 nan 0.000 0.467 326 G N 0.519 109.358 108.800 0.065 0.000 2.440 326 G HA2 -0.290 3.655 3.960 -0.026 0.000 0.218 326 G HA3 -0.290 3.655 3.960 -0.026 0.000 0.218 326 G C 1.379 176.322 174.900 0.072 0.000 1.154 326 G CA 0.535 45.666 45.100 0.050 0.000 0.767 326 G HN 0.302 nan 8.290 nan 0.000 0.552 327 F N 0.820 120.746 119.950 -0.039 0.000 2.146 327 F HA 0.103 4.615 4.527 -0.025 0.000 0.298 327 F C 2.794 178.566 175.800 -0.046 0.000 1.096 327 F CA 1.460 59.430 58.000 -0.050 0.000 1.275 327 F CB 0.003 38.972 39.000 -0.051 0.000 1.008 327 F HN 0.035 nan 8.300 nan 0.000 0.480 328 R N -0.101 120.485 120.500 0.143 0.000 2.120 328 R HA -0.162 4.162 4.340 -0.026 0.000 0.234 328 R C 1.770 178.058 176.300 -0.020 0.000 1.123 328 R CA 1.312 57.453 56.100 0.068 0.000 0.975 328 R CB -0.115 30.244 30.300 0.098 0.000 0.866 328 R HN 0.252 nan 8.270 nan 0.000 0.446 329 Q N 0.266 120.046 119.800 -0.033 0.000 2.444 329 Q HA 0.022 4.346 4.340 -0.026 0.000 0.206 329 Q C 0.051 175.967 176.000 -0.140 0.000 0.948 329 Q CA 0.402 56.172 55.803 -0.054 0.000 0.946 329 Q CB 0.300 29.022 28.738 -0.026 0.000 1.027 329 Q HN 0.300 nan 8.270 nan 0.000 0.513 330 R N -0.287 120.067 120.500 -0.245 0.000 3.878 330 R HA -0.169 4.155 4.340 -0.026 0.000 0.330 330 R C 0.771 176.925 176.300 -0.243 0.000 1.186 330 R CA 0.837 56.727 56.100 -0.351 0.000 0.885 330 R CB -0.907 29.138 30.300 -0.425 0.000 1.377 330 R HN 0.089 nan 8.270 nan 0.000 0.523 331 K N 0.348 120.651 120.400 -0.161 0.000 2.214 331 K HA 0.211 4.516 4.320 -0.026 0.000 0.201 331 K C 1.037 177.588 176.600 -0.082 0.000 1.049 331 K CA 0.762 56.987 56.287 -0.103 0.000 0.978 331 K CB 0.366 32.829 32.500 -0.062 0.000 0.842 331 K HN 0.236 nan 8.250 nan 0.000 0.474 332 I N 2.708 123.249 120.570 -0.049 0.000 2.396 332 I HA 0.035 4.189 4.170 -0.026 0.000 0.289 332 I C 1.300 177.402 176.117 -0.024 0.000 1.056 332 I CA -0.064 61.249 61.300 0.022 0.000 1.365 332 I CB 0.880 38.959 38.000 0.131 0.000 1.407 332 I HN -0.116 nan 8.210 nan 0.000 0.509 333 K N 4.695 125.084 120.400 -0.018 0.000 2.334 333 K HA 0.260 4.564 4.320 -0.026 0.000 0.195 333 K C -0.174 176.487 176.600 0.101 0.000 1.045 333 K CA 0.566 56.808 56.287 -0.075 0.000 1.004 333 K CB 0.722 33.168 32.500 -0.089 0.000 0.837 333 K HN 0.352 nan 8.250 nan 0.000 0.510 334 V N 2.172 122.202 119.914 0.192 0.000 2.577 334 V HA 0.420 4.524 4.120 -0.026 0.000 0.303 334 V C -0.429 175.749 176.094 0.139 0.000 1.042 334 V CA -0.777 61.644 62.300 0.201 0.000 0.872 334 V CB 2.332 34.201 31.823 0.077 0.000 0.998 334 V HN -0.024 nan 8.190 nan 0.000 0.423 335 I N 4.382 124.930 120.570 -0.037 0.000 2.404 335 I HA 0.492 4.647 4.170 -0.026 0.000 0.293 335 I C -0.659 175.323 176.117 -0.226 0.000 0.992 335 I CA -0.902 60.256 61.300 -0.237 0.000 1.149 335 I CB 2.233 39.877 38.000 -0.593 0.000 1.315 335 I HN 0.291 nan 8.210 nan 0.000 0.446 336 V N 6.014 125.862 119.914 -0.111 0.000 2.328 336 V HA 0.682 4.787 4.120 -0.026 0.000 0.278 336 V C 0.268 176.334 176.094 -0.047 0.000 1.021 336 V CA -0.341 61.902 62.300 -0.095 0.000 0.838 336 V CB 0.968 32.794 31.823 0.005 0.000 0.999 336 V HN 0.825 nan 8.190 nan 0.000 0.447 337 A N 3.697 126.412 122.820 -0.174 0.000 2.386 337 A HA 0.926 5.231 4.320 -0.026 0.000 0.308 337 A C 0.250 177.917 177.584 0.138 0.000 1.128 337 A CA -0.459 51.563 52.037 -0.024 0.000 0.789 337 A CB 1.628 20.506 19.000 -0.202 0.000 1.325 337 A HN 0.803 nan 8.150 nan 0.000 0.437 338 T N -1.080 113.628 114.554 0.257 0.000 2.816 338 T HA 0.427 4.762 4.350 -0.026 0.000 0.282 338 T C -2.007 172.906 174.700 0.355 0.000 0.993 338 T CA -1.232 61.027 62.100 0.265 0.000 0.994 338 T CB 0.480 69.475 68.868 0.212 0.000 1.025 338 T HN 0.269 nan 8.240 nan 0.000 0.529 339 P HA -0.076 nan 4.420 nan 0.000 0.217 339 P C 1.566 178.931 177.300 0.108 0.000 1.148 339 P CA 1.059 64.215 63.100 0.093 0.000 0.828 339 P CB -0.346 31.346 31.700 -0.013 0.000 0.783 340 T N -0.227 114.417 114.554 0.151 0.000 2.822 340 T HA -0.187 4.148 4.350 -0.026 0.000 0.270 340 T C 1.638 176.436 174.700 0.163 0.000 1.064 340 T CA 0.910 63.098 62.100 0.147 0.000 1.131 340 T CB -0.877 68.088 68.868 0.162 0.000 0.858 340 T HN 0.135 nan 8.240 nan 0.000 0.483 341 L N 0.700 122.035 121.223 0.187 0.000 2.083 341 L HA -0.084 4.241 4.340 -0.026 0.000 0.209 341 L C 2.636 179.570 176.870 0.107 0.000 1.083 341 L CA 1.452 56.318 54.840 0.043 0.000 0.752 341 L CB -0.484 41.457 42.059 -0.196 0.000 0.899 341 L HN 0.265 nan 8.230 nan 0.000 0.433 342 A N -0.367 122.553 122.820 0.167 0.000 2.019 342 A HA -0.098 4.206 4.320 -0.026 0.000 0.219 342 A C 2.334 179.943 177.584 0.041 0.000 1.164 342 A CA 1.476 53.539 52.037 0.043 0.000 0.644 342 A CB -0.740 18.102 19.000 -0.263 0.000 0.805 342 A HN 0.581 nan 8.150 nan 0.000 0.449 343 A N -0.473 122.391 122.820 0.072 0.000 2.072 343 A HA 0.424 4.728 4.320 -0.026 0.000 0.216 343 A C 1.622 179.300 177.584 0.156 0.000 1.156 343 A CA 1.014 53.127 52.037 0.127 0.000 0.701 343 A CB -0.828 18.254 19.000 0.137 0.000 0.816 343 A HN 0.651 nan 8.150 nan 0.000 0.458 344 G N -0.521 108.352 108.800 0.122 0.000 2.489 344 G HA2 0.409 4.354 3.960 -0.026 0.000 0.271 344 G HA3 0.409 4.354 3.960 -0.026 0.000 0.271 344 G C 0.476 175.440 174.900 0.108 0.000 1.427 344 G CA 0.187 45.357 45.100 0.115 0.000 1.057 344 G HN 0.944 nan 8.290 nan 0.000 0.532 345 V N -1.098 118.874 119.914 0.098 0.000 3.032 345 V HA 0.126 4.230 4.120 -0.026 0.000 0.307 345 V C 0.774 176.922 176.094 0.091 0.000 1.097 345 V CA -0.861 61.498 62.300 0.098 0.000 1.191 345 V CB 0.235 32.113 31.823 0.091 0.000 0.964 345 V HN 0.693 nan 8.190 nan 0.000 0.494 346 N N 2.731 121.491 118.700 0.101 0.000 2.223 346 N HA 0.049 4.773 4.740 -0.026 0.000 0.271 346 N C -0.814 174.754 175.510 0.098 0.000 1.315 346 N CA 0.494 53.603 53.050 0.099 0.000 0.835 346 N CB -0.122 38.427 38.487 0.103 0.000 1.066 346 N HN 0.890 nan 8.380 nan 0.000 0.486 347 L N 6.174 127.458 121.223 0.101 0.000 2.588 347 L HA 0.425 4.750 4.340 -0.026 0.000 0.256 347 L C -2.595 174.372 176.870 0.161 0.000 1.083 347 L CA -1.069 53.848 54.840 0.129 0.000 0.909 347 L CB 1.578 43.678 42.059 0.068 0.000 1.121 347 L HN 0.508 nan 8.230 nan 0.000 0.470 348 P HA 0.682 nan 4.420 nan 0.000 0.278 348 P C -1.115 176.347 177.300 0.270 0.000 1.258 348 P CA -0.426 62.781 63.100 0.178 0.000 0.811 348 P CB 2.068 33.845 31.700 0.130 0.000 1.063 349 A N 1.000 123.957 122.820 0.228 0.000 2.486 349 A HA 0.514 4.818 4.320 -0.026 0.000 0.289 349 A C 1.210 178.862 177.584 0.114 0.000 1.176 349 A CA -0.725 51.443 52.037 0.218 0.000 0.757 349 A CB 1.233 20.436 19.000 0.340 0.000 1.337 349 A HN 0.512 nan 8.150 nan 0.000 0.423 350 R N -0.746 119.796 120.500 0.070 0.000 2.075 350 R HA 0.051 4.376 4.340 -0.026 0.000 0.226 350 R C -0.369 175.991 176.300 0.099 0.000 1.114 350 R CA 1.793 57.932 56.100 0.065 0.000 0.972 350 R CB 0.032 30.351 30.300 0.031 0.000 0.869 350 R HN 0.712 nan 8.270 nan 0.000 0.437 351 T N 0.642 115.268 114.554 0.119 0.000 2.824 351 T HA 0.420 4.754 4.350 -0.026 0.000 0.282 351 T C -1.120 173.671 174.700 0.152 0.000 0.993 351 T CA -0.622 61.574 62.100 0.160 0.000 0.967 351 T CB 2.518 71.500 68.868 0.189 0.000 0.960 351 T HN -0.184 nan 8.240 nan 0.000 0.441 352 V N 4.357 124.362 119.914 0.151 0.000 2.459 352 V HA 0.519 4.624 4.120 -0.026 0.000 0.295 352 V C -0.324 175.851 176.094 0.135 0.000 1.029 352 V CA -0.779 61.610 62.300 0.150 0.000 0.874 352 V CB 1.416 33.345 31.823 0.177 0.000 0.985 352 V HN 0.799 nan 8.190 nan 0.000 0.438 353 I N 5.922 126.564 120.570 0.120 0.000 2.382 353 I HA 0.450 4.605 4.170 -0.026 0.000 0.286 353 I C -0.473 175.716 176.117 0.119 0.000 1.002 353 I CA -0.316 61.032 61.300 0.080 0.000 1.135 353 I CB 1.686 39.719 38.000 0.057 0.000 1.288 353 I HN 0.441 nan 8.210 nan 0.000 0.448 354 I N 5.866 126.488 120.570 0.087 0.000 2.287 354 I HA 0.201 4.355 4.170 -0.026 0.000 0.290 354 I C 1.439 177.567 176.117 0.019 0.000 1.069 354 I CA 0.082 61.439 61.300 0.095 0.000 1.237 354 I CB 1.317 39.340 38.000 0.039 0.000 1.418 354 I HN 0.766 nan 8.210 nan 0.000 0.481 355 G N 4.019 112.846 108.800 0.044 0.000 2.403 355 G HA2 -0.099 3.845 3.960 -0.026 0.000 0.216 355 G HA3 -0.099 3.845 3.960 -0.026 0.000 0.216 355 G C 0.760 175.648 174.900 -0.020 0.000 1.154 355 G CA 0.481 45.581 45.100 0.001 0.000 0.784 355 G HN 0.543 nan 8.290 nan 0.000 0.538 356 D N 0.248 120.638 120.400 -0.016 0.000 2.696 356 D HA 0.185 4.809 4.640 -0.026 0.000 0.269 356 D C 1.252 177.522 176.300 -0.050 0.000 1.319 356 D CA -0.458 53.527 54.000 -0.024 0.000 0.826 356 D CB 0.521 41.320 40.800 -0.001 0.000 1.086 356 D HN 0.472 nan 8.370 nan 0.000 0.481 372 P HA 0.319 nan 4.420 nan 0.000 0.272 372 P C 0.852 178.254 177.300 0.170 0.000 1.240 372 P CA -0.170 62.979 63.100 0.082 0.000 0.791 372 P CB 1.079 32.793 31.700 0.023 0.000 0.978 373 I N -0.076 120.542 120.570 0.079 0.000 2.315 373 I HA -0.223 3.932 4.170 -0.026 0.000 0.248 373 I C 2.486 178.713 176.117 0.184 0.000 1.117 373 I CA 1.335 62.721 61.300 0.143 0.000 1.404 373 I CB -0.531 37.464 38.000 -0.007 0.000 1.071 373 I HN 0.250 nan 8.210 nan 0.000 0.419 374 M N 1.039 120.683 119.600 0.074 0.000 2.108 374 M HA -0.202 4.263 4.480 -0.026 0.000 0.261 374 M C 2.171 178.471 176.300 0.000 0.000 1.066 374 M CA 1.835 57.149 55.300 0.023 0.000 1.107 374 M CB -0.434 32.156 32.600 -0.016 0.000 1.356 374 M HN 0.124 nan 8.290 nan 0.000 0.406 375 E N -1.293 118.913 120.200 0.010 0.000 2.077 375 E HA -0.250 4.084 4.350 -0.026 0.000 0.193 375 E C 2.056 178.605 176.600 -0.084 0.000 0.989 375 E CA 1.770 58.137 56.400 -0.055 0.000 0.800 375 E CB -0.843 28.827 29.700 -0.050 0.000 0.746 375 E HN 0.748 nan 8.360 nan 0.000 0.452 376 Y N 2.469 122.726 120.300 -0.071 0.000 2.145 376 Y HA -0.215 4.319 4.550 -0.027 0.000 0.286 376 Y C 2.160 178.015 175.900 -0.075 0.000 1.145 376 Y CA 1.689 59.739 58.100 -0.085 0.000 1.148 376 Y CB 0.058 38.547 38.460 0.049 0.000 0.981 376 Y HN -0.193 nan 8.280 nan 0.000 0.507 377 K N 0.520 120.826 120.400 -0.156 0.000 2.057 377 K HA -0.200 4.104 4.320 -0.026 0.000 0.207 377 K C 2.056 178.503 176.600 -0.256 0.000 1.049 377 K CA 1.788 57.934 56.287 -0.234 0.000 0.931 377 K CB -0.521 31.970 32.500 -0.014 0.000 0.714 377 K HN 0.591 nan 8.250 nan 0.000 0.440 378 Q N 0.007 119.687 119.800 -0.199 0.000 2.084 378 Q HA -0.045 4.279 4.340 -0.026 0.000 0.202 378 Q C 2.278 178.133 176.000 -0.241 0.000 0.978 378 Q CA 1.297 56.993 55.803 -0.179 0.000 0.844 378 Q CB -0.068 28.587 28.738 -0.139 0.000 0.898 378 Q HN 0.336 nan 8.270 nan 0.000 0.426 379 M N 0.186 119.551 119.600 -0.391 0.000 2.077 379 M HA -0.159 4.306 4.480 -0.026 0.000 0.261 379 M C 2.540 178.684 176.300 -0.259 0.000 1.070 379 M CA 1.775 56.766 55.300 -0.515 0.000 1.125 379 M CB -0.324 31.794 32.600 -0.803 0.000 1.339 379 M HN 0.193 nan 8.290 nan 0.000 0.409 380 S N 0.155 115.606 115.700 -0.414 0.000 2.382 380 S HA -0.094 4.360 4.470 -0.026 0.000 0.228 380 S C 1.973 176.468 174.600 -0.176 0.000 1.027 380 S CA 1.268 59.263 58.200 -0.342 0.000 0.991 380 S CB -1.452 61.331 63.200 -0.695 0.000 0.823 380 S HN 0.577 nan 8.310 nan 0.000 0.469 381 G N 1.410 110.103 108.800 -0.178 0.000 2.586 381 G HA2 -0.067 3.877 3.960 -0.026 0.000 0.215 381 G HA3 -0.067 3.877 3.960 -0.026 0.000 0.215 381 G C 1.516 176.398 174.900 -0.030 0.000 1.128 381 G CA -0.021 45.025 45.100 -0.091 0.000 0.774 381 G HN 0.497 nan 8.290 nan 0.000 0.543 382 R N 0.251 120.752 120.500 0.002 0.000 2.313 382 R HA 0.209 4.533 4.340 -0.026 0.000 0.199 382 R C 0.960 177.309 176.300 0.081 0.000 0.958 382 R CA 0.339 56.478 56.100 0.066 0.000 1.047 382 R CB 0.155 30.533 30.300 0.131 0.000 0.955 382 R HN 0.270 nan 8.270 nan 0.000 0.481 383 A N 1.415 124.269 122.820 0.056 0.000 2.347 383 A HA 0.512 4.816 4.320 -0.026 0.000 0.287 383 A C 0.346 177.960 177.584 0.050 0.000 1.199 383 A CA 0.290 52.368 52.037 0.069 0.000 0.851 383 A CB 0.345 19.386 19.000 0.069 0.000 1.118 383 A HN 0.352 nan 8.150 nan 0.000 0.525 384 G N 2.779 111.617 108.800 0.064 0.000 3.152 384 G HA2 -0.024 3.920 3.960 -0.026 0.000 0.666 384 G HA3 -0.024 3.920 3.960 -0.026 0.000 0.666 384 G C -0.577 174.362 174.900 0.066 0.000 1.205 384 G CA -1.044 44.087 45.100 0.051 0.000 1.178 384 G HN 0.930 nan 8.290 nan 0.000 0.510 385 R N 3.466 124.024 120.500 0.096 0.000 2.316 385 R HA 0.335 4.659 4.340 -0.026 0.000 0.314 385 R C -1.548 174.835 176.300 0.138 0.000 1.069 385 R CA -1.489 54.694 56.100 0.139 0.000 0.959 385 R CB 1.212 31.625 30.300 0.187 0.000 0.987 385 R HN 0.263 nan 8.270 nan 0.000 0.446 386 P HA -0.094 nan 4.420 nan 0.000 0.222 386 P C 1.023 178.348 177.300 0.042 0.000 1.147 386 P CA 0.901 64.044 63.100 0.072 0.000 0.790 386 P CB 0.366 32.113 31.700 0.077 0.000 0.780 387 G N -2.508 106.308 108.800 0.026 0.000 2.492 387 G HA2 -0.072 3.873 3.960 -0.026 0.000 0.214 387 G HA3 -0.072 3.873 3.960 -0.026 0.000 0.214 387 G C 0.870 175.510 174.900 -0.432 0.000 1.147 387 G CA 0.306 45.261 45.100 -0.243 0.000 0.809 387 G HN 0.195 nan 8.290 nan 0.000 0.533 388 F N 0.312 120.266 119.950 0.007 0.000 2.549 388 F HA 0.310 4.821 4.527 -0.026 0.000 0.275 388 F C 0.343 176.141 175.800 -0.002 0.000 0.990 388 F CA -0.528 57.470 58.000 -0.004 0.000 1.274 388 F CB 0.252 39.241 39.000 -0.019 0.000 1.064 388 F HN -0.159 nan 8.300 nan 0.000 0.715 389 D N 1.388 121.906 120.400 0.195 0.000 2.345 389 D HA 0.092 4.717 4.640 -0.026 0.000 0.247 389 D C 0.931 177.269 176.300 0.064 0.000 1.108 389 D CA 0.091 54.157 54.000 0.111 0.000 0.894 389 D CB 1.224 42.078 40.800 0.090 0.000 1.203 389 D HN 0.126 nan 8.370 nan 0.000 0.430 390 Q N 0.807 120.634 119.800 0.045 0.000 2.269 390 Q HA 0.189 4.513 4.340 -0.026 0.000 0.201 390 Q C 0.575 176.585 176.000 0.016 0.000 0.946 390 Q CA 0.449 56.268 55.803 0.026 0.000 0.877 390 Q CB 0.944 29.694 28.738 0.019 0.000 0.963 390 Q HN 0.527 nan 8.270 nan 0.000 0.472 391 I N -1.009 119.573 120.570 0.019 0.000 2.841 391 I HA 0.496 4.651 4.170 -0.026 0.000 0.298 391 I C -1.160 174.973 176.117 0.027 0.000 1.304 391 I CA -0.853 60.453 61.300 0.011 0.000 1.019 391 I CB 2.280 40.278 38.000 -0.005 0.000 1.282 391 I HN -0.001 nan 8.210 nan 0.000 0.432 392 G N 3.877 112.694 108.800 0.028 0.000 2.400 392 G HA2 0.622 4.566 3.960 -0.026 0.000 0.333 392 G HA3 0.622 4.566 3.960 -0.026 0.000 0.333 392 G C -1.425 173.520 174.900 0.075 0.000 1.143 392 G CA -0.333 44.798 45.100 0.052 0.000 0.914 392 G HN 0.598 nan 8.290 nan 0.000 0.480 393 E N 0.377 120.648 120.200 0.119 0.000 2.191 393 E HA 0.398 4.732 4.350 -0.026 0.000 0.263 393 E C -0.966 175.740 176.600 0.176 0.000 0.881 393 E CA -0.492 56.020 56.400 0.185 0.000 0.757 393 E CB 2.059 31.927 29.700 0.279 0.000 1.147 393 E HN 0.327 nan 8.360 nan 0.000 0.414 394 S N 3.558 119.354 115.700 0.160 0.000 2.456 394 S HA 0.556 5.011 4.470 -0.026 0.000 0.316 394 S C -0.863 173.786 174.600 0.081 0.000 1.089 394 S CA -0.539 57.723 58.200 0.104 0.000 1.101 394 S CB 0.243 63.470 63.200 0.044 0.000 0.995 394 S HN 0.368 nan 8.310 nan 0.000 0.468 395 I N 4.948 125.524 120.570 0.009 0.000 2.466 395 I HA 0.383 4.537 4.170 -0.026 0.000 0.289 395 I C -0.624 175.429 176.117 -0.107 0.000 1.026 395 I CA -0.506 60.717 61.300 -0.129 0.000 1.078 395 I CB 2.113 39.894 38.000 -0.365 0.000 1.249 395 I HN 0.364 nan 8.210 nan 0.000 0.429 396 V N 6.872 126.698 119.914 -0.148 0.000 2.432 396 V HA 0.355 4.459 4.120 -0.026 0.000 0.275 396 V C 0.109 176.097 176.094 -0.178 0.000 1.043 396 V CA -0.789 61.417 62.300 -0.156 0.000 0.925 396 V CB 1.491 33.174 31.823 -0.234 0.000 0.985 396 V HN 0.386 nan 8.190 nan 0.000 0.466 397 V N 6.189 126.021 119.914 -0.136 0.000 2.530 397 V HA 0.410 4.514 4.120 -0.026 0.000 0.282 397 V C 0.160 176.200 176.094 -0.090 0.000 1.048 397 V CA -0.056 62.176 62.300 -0.114 0.000 0.997 397 V CB 1.425 33.191 31.823 -0.094 0.000 0.987 397 V HN 0.624 nan 8.190 nan 0.000 0.477 398 V N 5.461 125.347 119.914 -0.046 0.000 3.040 398 V HA 0.459 4.564 4.120 -0.026 0.000 0.312 398 V C 0.718 176.835 176.094 0.038 0.000 1.115 398 V CA -0.816 61.474 62.300 -0.017 0.000 0.998 398 V CB 2.370 34.178 31.823 -0.025 0.000 1.042 398 V HN 0.785 nan 8.190 nan 0.000 0.433 399 R N 1.323 121.841 120.500 0.030 0.000 2.276 399 R HA 0.164 4.489 4.340 -0.026 0.000 0.196 399 R C -0.214 176.122 176.300 0.060 0.000 0.961 399 R CA 0.563 56.693 56.100 0.050 0.000 1.024 399 R CB 0.204 30.520 30.300 0.026 0.000 0.940 399 R HN 0.930 nan 8.270 nan 0.000 0.480 400 D N -1.519 118.908 120.400 0.045 0.000 2.653 400 D HA -0.005 4.620 4.640 -0.026 0.000 0.258 400 D C -0.201 176.064 176.300 -0.059 0.000 1.252 400 D CA -0.686 53.331 54.000 0.027 0.000 0.777 400 D CB 1.179 41.979 40.800 0.000 0.000 1.339 400 D HN -0.275 nan 8.370 nan 0.000 0.422 401 K N 0.092 120.382 120.400 -0.185 0.000 2.147 401 K HA -0.121 4.183 4.320 -0.026 0.000 0.205 401 K C 1.460 177.891 176.600 -0.281 0.000 1.049 401 K CA 1.406 57.390 56.287 -0.504 0.000 0.936 401 K CB 0.112 32.242 32.500 -0.617 0.000 0.722 401 K HN 0.421 nan 8.250 nan 0.000 0.446 402 E N 0.310 120.418 120.200 -0.153 0.000 2.118 402 E HA -0.210 4.124 4.350 -0.026 0.000 0.195 402 E C 1.352 177.911 176.600 -0.069 0.000 0.992 402 E CA 1.345 57.688 56.400 -0.094 0.000 0.804 402 E CB -0.037 29.627 29.700 -0.060 0.000 0.741 402 E HN 0.319 nan 8.360 nan 0.000 0.458 403 D N -0.323 120.039 120.400 -0.064 0.000 2.347 403 D HA -0.051 4.573 4.640 -0.026 0.000 0.215 403 D C 1.637 177.915 176.300 -0.036 0.000 0.976 403 D CA 0.104 54.080 54.000 -0.039 0.000 0.884 403 D CB 0.383 41.164 40.800 -0.031 0.000 0.915 403 D HN -0.077 nan 8.370 nan 0.000 0.526 404 V N 0.421 120.303 119.914 -0.054 0.000 2.343 404 V HA -0.196 3.908 4.120 -0.026 0.000 0.247 404 V C 2.179 178.344 176.094 0.117 0.000 1.051 404 V CA 1.777 64.071 62.300 -0.009 0.000 1.036 404 V CB -0.403 31.397 31.823 -0.038 0.000 0.654 404 V HN 0.282 nan 8.190 nan 0.000 0.451 405 D N 0.360 120.815 120.400 0.092 0.000 2.104 405 D HA -0.200 4.424 4.640 -0.026 0.000 0.194 405 D C 2.361 178.729 176.300 0.113 0.000 0.994 405 D CA 1.537 55.610 54.000 0.122 0.000 0.830 405 D CB -0.059 40.763 40.800 0.037 0.000 0.959 405 D HN 0.415 nan 8.370 nan 0.000 0.452 406 R N -0.208 120.322 120.500 0.051 0.000 2.115 406 R HA -0.045 4.279 4.340 -0.026 0.000 0.230 406 R C 2.456 178.781 176.300 0.042 0.000 1.111 406 R CA 0.728 56.846 56.100 0.030 0.000 0.976 406 R CB -0.050 30.255 30.300 0.009 0.000 0.870 406 R HN 0.149 nan 8.270 nan 0.000 0.445 407 V N 0.243 120.177 119.914 0.033 0.000 2.346 407 V HA -0.166 3.938 4.120 -0.026 0.000 0.244 407 V C 1.879 177.961 176.094 -0.019 0.000 1.037 407 V CA 1.484 63.799 62.300 0.025 0.000 1.029 407 V CB -0.569 31.164 31.823 -0.150 0.000 0.663 407 V HN 0.074 nan 8.190 nan 0.000 0.454 408 F N 1.006 120.955 119.950 -0.002 0.000 2.065 408 F HA -0.230 4.282 4.527 -0.026 0.000 0.298 408 F C 2.479 178.263 175.800 -0.026 0.000 1.112 408 F CA 2.311 60.305 58.000 -0.010 0.000 1.212 408 F CB -0.553 38.445 39.000 -0.003 0.000 0.975 408 F HN 0.057 nan 8.300 nan 0.000 0.476 409 K N 0.490 120.988 120.400 0.162 0.000 2.057 409 K HA -0.186 4.118 4.320 -0.026 0.000 0.207 409 K C 2.085 178.661 176.600 -0.040 0.000 1.049 409 K CA 1.557 57.876 56.287 0.053 0.000 0.931 409 K CB -0.210 32.305 32.500 0.025 0.000 0.714 409 K HN 0.114 nan 8.250 nan 0.000 0.440 410 K N -1.655 118.677 120.400 -0.114 0.000 2.137 410 K HA -0.051 4.253 4.320 -0.026 0.000 0.202 410 K C 1.346 177.635 176.600 -0.519 0.000 1.052 410 K CA 1.035 57.121 56.287 -0.335 0.000 0.961 410 K CB 0.117 32.342 32.500 -0.458 0.000 0.741 410 K HN 0.172 nan 8.250 nan 0.000 0.452 411 Y N -1.086 119.062 120.300 -0.255 0.000 2.506 411 Y HA 0.024 4.559 4.550 -0.026 0.000 0.287 411 Y C 1.970 177.626 175.900 -0.407 0.000 1.147 411 Y CA 0.036 57.830 58.100 -0.510 0.000 1.241 411 Y CB 0.405 38.280 38.460 -0.975 0.000 1.279 411 Y HN -0.227 nan 8.280 nan 0.000 0.527 412 V N 0.140 120.011 119.914 -0.073 0.000 2.535 412 V HA -0.160 3.944 4.120 -0.026 0.000 0.246 412 V C 1.758 177.950 176.094 0.164 0.000 1.045 412 V CA 1.486 63.869 62.300 0.138 0.000 1.058 412 V CB -0.366 31.621 31.823 0.274 0.000 0.689 412 V HN 0.340 nan 8.190 nan 0.000 0.461 413 L N -1.101 120.192 121.223 0.116 0.000 2.408 413 L HA 0.164 4.489 4.340 -0.026 0.000 0.215 413 L C 1.106 178.005 176.870 0.047 0.000 1.081 413 L CA 0.203 55.096 54.840 0.088 0.000 0.840 413 L CB -0.084 42.021 42.059 0.077 0.000 1.002 413 L HN 0.166 nan 8.230 nan 0.000 0.468 414 S N 0.049 115.754 115.700 0.008 0.000 2.580 414 S HA 0.113 4.568 4.470 -0.026 0.000 0.274 414 S C -0.074 174.533 174.600 0.011 0.000 1.329 414 S CA -0.622 57.567 58.200 -0.019 0.000 1.036 414 S CB 0.972 64.118 63.200 -0.090 0.000 0.919 414 S HN 0.102 nan 8.310 nan 0.000 0.515 415 D N 1.024 121.432 120.400 0.012 0.000 2.377 415 D HA 0.196 4.820 4.640 -0.026 0.000 0.245 415 D C 0.235 176.543 176.300 0.013 0.000 1.196 415 D CA -0.198 53.820 54.000 0.030 0.000 0.962 415 D CB 0.688 41.509 40.800 0.036 0.000 1.127 415 D HN 0.145 nan 8.370 nan 0.000 0.471 416 V N 0.996 120.926 119.914 0.027 0.000 2.924 416 V HA -0.050 4.055 4.120 -0.026 0.000 0.305 416 V C 0.239 176.330 176.094 -0.005 0.000 1.073 416 V CA -0.166 62.143 62.300 0.014 0.000 1.098 416 V CB 0.709 32.543 31.823 0.017 0.000 1.000 416 V HN 0.420 nan 8.190 nan 0.000 0.484 417 E N 5.375 125.563 120.200 -0.020 0.000 2.480 417 E HA 0.125 4.460 4.350 -0.026 0.000 0.258 417 E C -2.222 174.364 176.600 -0.023 0.000 0.984 417 E CA -0.900 55.482 56.400 -0.031 0.000 0.930 417 E CB -0.301 29.375 29.700 -0.041 0.000 0.936 417 E HN 0.467 nan 8.360 nan 0.000 0.466 418 P HA -0.093 nan 4.420 nan 0.000 0.267 418 P C -0.231 177.046 177.300 -0.039 0.000 1.195 418 P CA 0.443 63.526 63.100 -0.029 0.000 0.773 418 P CB 0.527 32.202 31.700 -0.042 0.000 0.837 419 I N 2.298 122.846 120.570 -0.037 0.000 2.371 419 I HA 0.137 4.291 4.170 -0.026 0.000 0.290 419 I C 0.985 177.039 176.117 -0.105 0.000 1.028 419 I CA 0.032 61.296 61.300 -0.059 0.000 1.345 419 I CB 0.313 38.292 38.000 -0.035 0.000 1.407 419 I HN 0.404 nan 8.210 nan 0.000 0.501 420 E N 4.416 124.543 120.200 -0.122 0.000 2.292 420 E HA 0.329 4.664 4.350 -0.026 0.000 0.272 420 E C -0.998 175.498 176.600 -0.173 0.000 0.881 420 E CA -0.881 55.429 56.400 -0.149 0.000 0.754 420 E CB 1.761 31.392 29.700 -0.116 0.000 1.201 420 E HN 0.394 nan 8.360 nan 0.000 0.425 421 S N 1.397 116.967 115.700 -0.217 0.000 2.558 421 S HA -0.018 4.437 4.470 -0.026 0.000 0.291 421 S C 0.545 175.031 174.600 -0.190 0.000 1.306 421 S CA -0.133 57.927 58.200 -0.233 0.000 1.056 421 S CB 0.299 63.343 63.200 -0.259 0.000 0.836 421 S HN 0.471 nan 8.310 nan 0.000 0.504 422 K N 4.451 124.735 120.400 -0.194 0.000 2.372 422 K HA 0.223 4.528 4.320 -0.026 0.000 0.200 422 K C 1.356 177.832 176.600 -0.207 0.000 1.022 422 K CA 0.011 56.191 56.287 -0.179 0.000 1.125 422 K CB -0.091 32.317 32.500 -0.154 0.000 0.855 422 K HN 0.619 nan 8.250 nan 0.000 0.524 423 L N 0.415 121.500 121.223 -0.230 0.000 2.362 423 L HA -0.051 4.273 4.340 -0.026 0.000 0.219 423 L C 1.249 177.968 176.870 -0.251 0.000 1.134 423 L CA 0.598 55.300 54.840 -0.230 0.000 0.807 423 L CB -0.258 41.636 42.059 -0.275 0.000 0.927 423 L HN 0.138 nan 8.230 nan 0.000 0.447 424 G N 0.005 108.590 108.800 -0.357 0.000 3.102 424 G HA2 0.193 4.137 3.960 -0.026 0.000 0.264 424 G HA3 0.193 4.137 3.960 -0.026 0.000 0.264 424 G C -0.095 174.297 174.900 -0.846 0.000 0.788 424 G CA 0.381 45.045 45.100 -0.727 0.000 2.029 424 G HN 0.222 nan 8.290 nan 0.000 0.608 425 S N 0.160 115.302 115.700 -0.930 0.000 2.542 425 S HA 0.260 4.715 4.470 -0.026 0.000 0.276 425 S C 0.578 174.997 174.600 -0.302 0.000 1.148 425 S CA -0.585 57.364 58.200 -0.419 0.000 0.886 425 S CB 1.379 64.416 63.200 -0.271 0.000 1.109 425 S HN 0.322 nan 8.310 nan 0.000 0.458 426 E N 2.135 122.210 120.200 -0.209 0.000 2.038 426 E HA -0.179 4.155 4.350 -0.026 0.000 0.195 426 E C 2.026 178.210 176.600 -0.693 0.000 1.000 426 E CA 1.088 57.105 56.400 -0.637 0.000 0.803 426 E CB -0.152 29.139 29.700 -0.682 0.000 0.750 426 E HN 0.626 nan 8.360 nan 0.000 0.448 427 R N 0.521 120.736 120.500 -0.475 0.000 2.103 427 R HA -0.194 4.130 4.340 -0.026 0.000 0.242 427 R C 2.142 178.351 176.300 -0.151 0.000 1.142 427 R CA 1.579 57.515 56.100 -0.273 0.000 0.960 427 R CB -0.172 29.941 30.300 -0.313 0.000 0.858 427 R HN 0.160 nan 8.270 nan 0.000 0.439 428 A N -0.186 122.537 122.820 -0.161 0.000 1.878 428 A HA -0.084 4.220 4.320 -0.026 0.000 0.213 428 A C 1.965 179.542 177.584 -0.011 0.000 1.192 428 A CA 0.677 52.651 52.037 -0.106 0.000 0.619 428 A CB -0.681 18.229 19.000 -0.150 0.000 0.837 428 A HN 0.413 nan 8.150 nan 0.000 0.446 429 F N -0.598 119.292 119.950 -0.099 0.000 2.171 429 F HA -0.169 4.351 4.527 -0.012 0.000 0.300 429 F C 2.181 178.156 175.800 0.292 0.000 1.090 429 F CA 1.570 59.643 58.000 0.123 0.000 1.293 429 F CB -0.139 38.934 39.000 0.123 0.000 1.013 429 F HN 0.313 nan 8.300 nan 0.000 0.486 430 Y N -0.849 119.514 120.300 0.105 0.000 2.200 430 Y HA -0.170 4.370 4.550 -0.017 0.000 0.290 430 Y C 2.871 178.668 175.900 -0.172 0.000 1.137 430 Y CA 1.363 59.417 58.100 -0.077 0.000 1.163 430 Y CB -1.703 36.587 38.460 -0.283 0.000 0.988 430 Y HN 0.002 nan 8.280 nan 0.000 0.518 431 T N 0.050 114.611 114.554 0.012 0.000 2.904 431 T HA -0.172 4.163 4.350 -0.026 0.000 0.267 431 T C 1.854 176.506 174.700 -0.080 0.000 1.059 431 T CA 0.792 62.833 62.100 -0.098 0.000 1.137 431 T CB -0.560 68.219 68.868 -0.149 0.000 0.879 431 T HN 0.335 nan 8.240 nan 0.000 0.467 432 F N 1.015 120.830 119.950 -0.224 0.000 2.069 432 F HA -0.061 4.449 4.527 -0.029 0.000 0.298 432 F C 1.939 177.564 175.800 -0.292 0.000 1.113 432 F CA 1.365 59.189 58.000 -0.292 0.000 1.214 432 F CB -0.132 38.592 39.000 -0.459 0.000 0.978 432 F HN 0.082 nan 8.300 nan 0.000 0.474 433 L N -0.125 120.823 121.223 -0.458 0.000 2.093 433 L HA -0.187 4.137 4.340 -0.026 0.000 0.208 433 L C 2.388 179.051 176.870 -0.345 0.000 1.085 433 L CA 0.818 55.365 54.840 -0.488 0.000 0.755 433 L CB -0.596 41.266 42.059 -0.328 0.000 0.904 433 L HN 0.329 nan 8.230 nan 0.000 0.435 434 L N 0.004 121.078 121.223 -0.248 0.000 2.046 434 L HA -0.102 4.222 4.340 -0.026 0.000 0.208 434 L C 2.335 179.095 176.870 -0.183 0.000 1.077 434 L CA 2.026 56.755 54.840 -0.186 0.000 0.747 434 L CB -0.725 41.235 42.059 -0.165 0.000 0.896 434 L HN 0.135 nan 8.230 nan 0.000 0.432 435 G N -0.548 108.130 108.800 -0.203 0.000 2.422 435 G HA2 -0.191 3.753 3.960 -0.026 0.000 0.218 435 G HA3 -0.191 3.753 3.960 -0.026 0.000 0.218 435 G C 1.577 176.337 174.900 -0.233 0.000 1.140 435 G CA 0.977 45.980 45.100 -0.163 0.000 0.775 435 G HN 0.459 nan 8.290 nan 0.000 0.545 436 I N 0.249 120.593 120.570 -0.377 0.000 2.179 436 I HA -0.131 4.024 4.170 -0.026 0.000 0.242 436 I C 2.701 178.594 176.117 -0.374 0.000 1.088 436 I CA 0.725 61.740 61.300 -0.475 0.000 1.357 436 I CB -0.223 37.404 38.000 -0.622 0.000 1.051 436 I HN 0.117 nan 8.210 nan 0.000 0.409 437 L N -0.220 120.841 121.223 -0.270 0.000 2.042 437 L HA -0.253 4.071 4.340 -0.026 0.000 0.210 437 L C 2.747 179.535 176.870 -0.137 0.000 1.076 437 L CA 1.380 56.118 54.840 -0.170 0.000 0.749 437 L CB -0.546 41.449 42.059 -0.108 0.000 0.893 437 L HN 0.239 nan 8.230 nan 0.000 0.432 438 S N -0.556 115.064 115.700 -0.133 0.000 2.356 438 S HA -0.171 4.283 4.470 -0.026 0.000 0.223 438 S C 2.078 176.616 174.600 -0.103 0.000 1.032 438 S CA 1.313 59.451 58.200 -0.103 0.000 1.005 438 S CB -0.096 63.048 63.200 -0.093 0.000 0.867 438 S HN 0.459 nan 8.310 nan 0.000 0.449 439 A N 0.712 123.452 122.820 -0.132 0.000 2.014 439 A HA 0.039 4.344 4.320 -0.026 0.000 0.218 439 A C 1.892 179.379 177.584 -0.161 0.000 1.163 439 A CA 1.200 53.165 52.037 -0.120 0.000 0.652 439 A CB -0.221 18.684 19.000 -0.159 0.000 0.808 439 A HN 0.515 nan 8.150 nan 0.000 0.449 440 E N -1.153 118.911 120.200 -0.227 0.000 2.489 440 E HA 0.310 4.645 4.350 -0.026 0.000 0.204 440 E C 1.209 177.744 176.600 -0.107 0.000 1.006 440 E CA 0.618 56.889 56.400 -0.216 0.000 0.936 440 E CB -0.021 29.433 29.700 -0.410 0.000 1.002 440 E HN 0.637 nan 8.360 nan 0.000 0.488 441 G N 2.294 111.041 108.800 -0.088 0.000 2.598 441 G HA2 -0.265 3.679 3.960 -0.026 0.000 0.244 441 G HA3 -0.265 3.679 3.960 -0.026 0.000 0.244 441 G C -0.224 174.662 174.900 -0.024 0.000 1.302 441 G CA -0.363 44.712 45.100 -0.042 0.000 0.903 441 G HN 0.206 nan 8.290 nan 0.000 0.575 442 N N 0.147 118.849 118.700 0.005 0.000 2.458 442 N HA 0.522 5.246 4.740 -0.026 0.000 0.258 442 N C 0.115 175.654 175.510 0.048 0.000 1.219 442 N CA 0.425 53.494 53.050 0.031 0.000 0.902 442 N CB 0.563 39.066 38.487 0.028 0.000 1.076 442 N HN 0.638 nan 8.380 nan 0.000 0.455 443 L N 0.190 121.466 121.223 0.089 0.000 2.445 443 L HA 0.358 4.682 4.340 -0.026 0.000 0.262 443 L C 0.265 177.233 176.870 0.164 0.000 0.974 443 L CA -0.999 53.915 54.840 0.123 0.000 0.822 443 L CB 2.009 44.149 42.059 0.135 0.000 1.339 443 L HN 0.550 nan 8.230 nan 0.000 0.409 444 S N 0.130 115.911 115.700 0.135 0.000 2.584 444 S HA 0.064 4.518 4.470 -0.026 0.000 0.270 444 S C 0.892 175.646 174.600 0.257 0.000 1.346 444 S CA -0.105 58.173 58.200 0.129 0.000 1.018 444 S CB 1.310 64.556 63.200 0.077 0.000 0.899 444 S HN 0.839 nan 8.310 nan 0.000 0.542 445 E N 1.251 121.639 120.200 0.313 0.000 2.097 445 E HA -0.249 4.085 4.350 -0.026 0.000 0.196 445 E C 1.959 178.703 176.600 0.241 0.000 1.000 445 E CA 1.541 58.221 56.400 0.467 0.000 0.804 445 E CB -0.175 29.822 29.700 0.496 0.000 0.740 445 E HN 0.814 nan 8.360 nan 0.000 0.454 446 K N 0.234 120.714 120.400 0.135 0.000 2.032 446 K HA -0.234 4.070 4.320 -0.026 0.000 0.209 446 K C 2.210 178.834 176.600 0.040 0.000 1.048 446 K CA 1.903 58.223 56.287 0.054 0.000 0.927 446 K CB 0.013 32.542 32.500 0.049 0.000 0.712 446 K HN 0.156 nan 8.250 nan 0.000 0.441 447 Q N 0.128 119.985 119.800 0.094 0.000 2.083 447 Q HA -0.137 4.187 4.340 -0.026 0.000 0.198 447 Q C 2.135 178.269 176.000 0.224 0.000 0.969 447 Q CA 1.038 56.907 55.803 0.111 0.000 0.838 447 Q CB -0.082 28.755 28.738 0.164 0.000 0.900 447 Q HN 0.228 nan 8.270 nan 0.000 0.436 448 L N 1.294 122.673 121.223 0.259 0.000 2.046 448 L HA -0.182 4.142 4.340 -0.026 0.000 0.208 448 L C 2.125 179.098 176.870 0.171 0.000 1.077 448 L CA 1.889 56.905 54.840 0.293 0.000 0.747 448 L CB -0.406 41.848 42.059 0.324 0.000 0.896 448 L HN 0.189 nan 8.230 nan 0.000 0.432 449 E N -0.938 119.187 120.200 -0.124 0.000 2.106 449 E HA -0.227 4.107 4.350 -0.026 0.000 0.192 449 E C 1.746 178.059 176.600 -0.479 0.000 0.984 449 E CA 1.151 57.134 56.400 -0.696 0.000 0.806 449 E CB 0.034 29.154 29.700 -0.968 0.000 0.750 449 E HN 0.519 nan 8.360 nan 0.000 0.458 450 N N -0.245 118.361 118.700 -0.157 0.000 2.309 450 N HA -0.114 4.611 4.740 -0.026 0.000 0.182 450 N C 1.328 176.803 175.510 -0.059 0.000 1.018 450 N CA 0.810 53.843 53.050 -0.028 0.000 0.876 450 N CB -0.267 38.175 38.487 -0.075 0.000 0.972 450 N HN 0.199 nan 8.380 nan 0.000 0.434 451 F N 1.040 120.975 119.950 -0.025 0.000 2.163 451 F HA -0.031 4.479 4.527 -0.028 0.000 0.297 451 F C 2.334 178.160 175.800 0.042 0.000 1.094 451 F CA 0.909 58.895 58.000 -0.024 0.000 1.290 451 F CB -0.190 38.749 39.000 -0.102 0.000 1.017 451 F HN 0.016 nan 8.300 nan 0.000 0.483 452 A N -0.900 122.038 122.820 0.196 0.000 1.972 452 A HA -0.217 4.088 4.320 -0.026 0.000 0.219 452 A C 1.737 179.524 177.584 0.337 0.000 1.169 452 A CA 1.275 53.502 52.037 0.317 0.000 0.635 452 A CB -1.196 17.995 19.000 0.317 0.000 0.810 452 A HN 0.431 nan 8.150 nan 0.000 0.446 453 Y N 0.636 121.053 120.300 0.196 0.000 2.497 453 Y HA -0.057 4.476 4.550 -0.028 0.000 0.292 453 Y C 2.053 178.048 175.900 0.158 0.000 1.137 453 Y CA 0.822 59.004 58.100 0.136 0.000 1.285 453 Y CB -0.130 38.357 38.460 0.045 0.000 0.991 453 Y HN 0.357 nan 8.280 nan 0.000 0.556 454 E N 0.012 120.409 120.200 0.329 0.000 2.482 454 E HA -0.029 4.306 4.350 -0.026 0.000 0.196 454 E C 1.133 177.996 176.600 0.438 0.000 1.047 454 E CA 0.444 57.019 56.400 0.291 0.000 0.869 454 E CB -0.180 29.632 29.700 0.186 0.000 0.836 454 E HN 0.393 nan 8.360 nan 0.000 0.520 455 S N 0.151 116.083 115.700 0.387 0.000 2.624 455 S HA 0.088 4.542 4.470 -0.026 0.000 0.263 455 S C 1.051 175.716 174.600 0.107 0.000 1.287 455 S CA -0.598 57.771 58.200 0.281 0.000 0.990 455 S CB 1.150 64.380 63.200 0.050 0.000 0.950 455 S HN 0.083 nan 8.310 nan 0.000 0.561 456 L N 0.626 121.652 121.223 -0.328 0.000 2.395 456 L HA 0.393 4.717 4.340 -0.026 0.000 0.218 456 L C 0.631 177.301 176.870 -0.334 0.000 1.130 456 L CA 0.573 54.982 54.840 -0.719 0.000 0.826 456 L CB -0.833 40.518 42.059 -1.180 0.000 0.941 456 L HN 0.761 nan 8.230 nan 0.000 0.451 457 L N 0.931 122.044 121.223 -0.183 0.000 2.514 457 L HA 0.218 4.543 4.340 -0.026 0.000 0.280 457 L C 0.764 177.626 176.870 -0.013 0.000 1.223 457 L CA 0.310 55.101 54.840 -0.082 0.000 0.864 457 L CB 0.144 42.202 42.059 -0.001 0.000 1.118 457 L HN 0.234 nan 8.230 nan 0.000 0.494 458 A N 4.931 127.739 122.820 -0.019 0.000 2.540 458 A HA 0.046 4.350 4.320 -0.026 0.000 0.239 458 A C 1.389 179.013 177.584 0.067 0.000 1.061 458 A CA 0.395 52.434 52.037 0.005 0.000 0.758 458 A CB -0.124 18.871 19.000 -0.009 0.000 0.991 458 A HN 0.965 nan 8.150 nan 0.000 0.502 459 K N 0.838 121.272 120.400 0.056 0.000 2.074 459 K HA -0.230 4.075 4.320 -0.026 0.000 0.209 459 K C 1.733 178.410 176.600 0.127 0.000 1.048 459 K CA 2.085 58.428 56.287 0.093 0.000 0.926 459 K CB -0.092 32.365 32.500 -0.072 0.000 0.713 459 K HN 0.828 nan 8.250 nan 0.000 0.444 460 Q N 0.444 120.282 119.800 0.063 0.000 2.050 460 Q HA -0.160 4.164 4.340 -0.026 0.000 0.202 460 Q C 2.322 178.366 176.000 0.074 0.000 0.980 460 Q CA 1.356 57.194 55.803 0.057 0.000 0.840 460 Q CB -0.246 28.507 28.738 0.025 0.000 0.898 460 Q HN 0.409 nan 8.270 nan 0.000 0.424 461 L N 0.033 121.304 121.223 0.079 0.000 2.141 461 L HA -0.141 4.184 4.340 -0.026 0.000 0.209 461 L C 2.431 179.376 176.870 0.126 0.000 1.094 461 L CA 0.443 55.349 54.840 0.109 0.000 0.763 461 L CB -0.355 41.754 42.059 0.084 0.000 0.908 461 L HN 0.013 nan 8.230 nan 0.000 0.437 462 V N -0.307 119.694 119.914 0.144 0.000 2.295 462 V HA -0.292 3.812 4.120 -0.026 0.000 0.246 462 V C 2.079 178.237 176.094 0.107 0.000 1.049 462 V CA 1.907 64.308 62.300 0.168 0.000 1.024 462 V CB -0.519 31.520 31.823 0.359 0.000 0.648 462 V HN 0.448 nan 8.190 nan 0.000 0.447 463 D N 0.215 120.704 120.400 0.149 0.000 2.144 463 D HA -0.129 4.496 4.640 -0.026 0.000 0.199 463 D C 2.149 178.488 176.300 0.066 0.000 0.984 463 D CA 1.390 55.463 54.000 0.122 0.000 0.834 463 D CB -0.286 40.590 40.800 0.126 0.000 0.955 463 D HN 0.385 nan 8.370 nan 0.000 0.465 464 V N 0.132 120.046 119.914 -0.000 0.000 2.358 464 V HA -0.234 3.870 4.120 -0.026 0.000 0.246 464 V C 2.057 178.007 176.094 -0.240 0.000 1.047 464 V CA 1.347 63.576 62.300 -0.119 0.000 1.035 464 V CB -0.752 30.961 31.823 -0.184 0.000 0.658 464 V HN 0.146 nan 8.190 nan 0.000 0.452 465 Y N -1.390 118.748 120.300 -0.270 0.000 2.365 465 Y HA -0.003 4.506 4.550 -0.068 0.000 0.293 465 Y C 2.159 177.828 175.900 -0.386 0.000 1.119 465 Y CA 1.155 58.973 58.100 -0.469 0.000 1.203 465 Y CB -0.339 37.515 38.460 -1.010 0.000 1.026 465 Y HN 0.200 nan 8.280 nan 0.000 0.549 466 F N 1.095 120.888 119.950 -0.261 0.000 2.075 466 F HA -0.228 4.281 4.527 -0.029 0.000 0.297 466 F C 1.850 177.654 175.800 0.006 0.000 1.113 466 F CA 1.882 59.908 58.000 0.043 0.000 1.218 466 F CB -0.251 38.790 39.000 0.069 0.000 0.984 466 F HN -0.041 nan 8.300 nan 0.000 0.472 467 D N -0.135 120.356 120.400 0.152 0.000 2.084 467 D HA -0.142 4.483 4.640 -0.026 0.000 0.194 467 D C 2.420 178.695 176.300 -0.042 0.000 0.990 467 D CA 1.275 55.311 54.000 0.060 0.000 0.826 467 D CB -0.327 40.532 40.800 0.097 0.000 0.971 467 D HN 0.199 nan 8.370 nan 0.000 0.453 468 R N 0.417 120.894 120.500 -0.038 0.000 2.094 468 R HA -0.171 4.154 4.340 -0.026 0.000 0.239 468 R C 2.242 178.484 176.300 -0.096 0.000 1.137 468 R CA 1.478 57.572 56.100 -0.009 0.000 0.943 468 R CB -0.433 29.871 30.300 0.006 0.000 0.850 468 R HN 0.147 nan 8.270 nan 0.000 0.433 469 A N 1.487 124.190 122.820 -0.195 0.000 1.865 469 A HA -0.187 4.118 4.320 -0.026 0.000 0.217 469 A C 2.101 179.398 177.584 -0.479 0.000 1.191 469 A CA 1.396 53.090 52.037 -0.573 0.000 0.623 469 A CB -0.518 18.364 19.000 -0.197 0.000 0.826 469 A HN 0.129 nan 8.150 nan 0.000 0.444 470 I N -0.241 120.036 120.570 -0.489 0.000 2.118 470 I HA -0.266 3.888 4.170 -0.026 0.000 0.241 470 I C 2.555 178.529 176.117 -0.238 0.000 1.070 470 I CA 2.076 63.076 61.300 -0.500 0.000 1.327 470 I CB -1.386 36.279 38.000 -0.559 0.000 1.034 470 I HN 0.451 nan 8.210 nan 0.000 0.405 471 R N -0.465 119.959 120.500 -0.127 0.000 2.080 471 R HA -0.257 4.067 4.340 -0.026 0.000 0.236 471 R C 2.463 178.777 176.300 0.024 0.000 1.137 471 R CA 2.301 58.388 56.100 -0.022 0.000 0.943 471 R CB -0.591 29.723 30.300 0.023 0.000 0.846 471 R HN 0.419 nan 8.270 nan 0.000 0.431 472 W N 0.859 122.064 121.300 -0.158 0.000 2.358 472 W HA -0.135 4.527 4.660 0.003 0.000 0.303 472 W C 1.675 178.188 176.519 -0.011 0.000 1.208 472 W CA 1.295 58.610 57.345 -0.049 0.000 1.274 472 W CB -0.165 29.197 29.460 -0.164 0.000 1.138 472 W HN 0.085 nan 8.180 nan 0.000 0.515 473 L N -0.023 121.264 121.223 0.107 0.000 2.141 473 L HA -0.219 4.105 4.340 -0.026 0.000 0.209 473 L C 2.409 179.320 176.870 0.068 0.000 1.094 473 L CA 0.947 55.849 54.840 0.104 0.000 0.763 473 L CB -0.834 41.197 42.059 -0.046 0.000 0.908 473 L HN 0.074 nan 8.230 nan 0.000 0.437 474 L N -0.177 121.035 121.223 -0.018 0.000 2.005 474 L HA -0.205 4.120 4.340 -0.026 0.000 0.207 474 L C 2.733 179.553 176.870 -0.083 0.000 1.072 474 L CA 1.657 56.492 54.840 -0.009 0.000 0.744 474 L CB -0.538 41.534 42.059 0.021 0.000 0.895 474 L HN 0.381 nan 8.230 nan 0.000 0.433 475 E N -0.634 119.467 120.200 -0.165 0.000 2.150 475 E HA -0.246 4.088 4.350 -0.026 0.000 0.193 475 E C 1.255 177.550 176.600 -0.508 0.000 0.985 475 E CA 1.506 57.715 56.400 -0.318 0.000 0.814 475 E CB -0.350 29.132 29.700 -0.362 0.000 0.752 475 E HN 0.591 nan 8.360 nan 0.000 0.466 476 H N 0.031 118.873 119.070 -0.380 0.000 2.517 476 H HA 0.297 4.837 4.556 -0.027 0.000 0.282 476 H C -0.321 174.841 175.328 -0.277 0.000 1.023 476 H CA 0.408 56.211 56.048 -0.408 0.000 1.169 476 H CB 0.673 29.949 29.762 -0.811 0.000 1.454 476 H HN 0.024 nan 8.280 nan 0.000 0.556 477 S N -0.519 115.112 115.700 -0.114 0.000 3.698 477 S HA -0.204 4.250 4.470 -0.026 0.000 0.338 477 S C 0.559 175.095 174.600 -0.106 0.000 1.089 477 S CA 0.469 58.596 58.200 -0.122 0.000 0.991 477 S CB -1.918 61.157 63.200 -0.208 0.000 0.909 477 S HN 0.468 nan 8.310 nan 0.000 0.485 478 F N 0.585 120.565 119.950 0.051 0.000 2.530 478 F HA 0.383 4.898 4.527 -0.020 0.000 0.292 478 F C 1.215 177.030 175.800 0.024 0.000 1.109 478 F CA 0.445 58.486 58.000 0.069 0.000 1.450 478 F CB 0.364 39.389 39.000 0.041 0.000 1.114 478 F HN 0.482 nan 8.300 nan 0.000 0.560 479 I N -2.143 118.537 120.570 0.182 0.000 2.730 479 I HA 0.546 4.700 4.170 -0.026 0.000 0.298 479 I C -1.084 175.112 176.117 0.131 0.000 1.089 479 I CA -1.089 60.289 61.300 0.130 0.000 1.041 479 I CB 2.259 40.308 38.000 0.082 0.000 1.235 479 I HN -0.284 nan 8.210 nan 0.000 0.423 480 K N 3.154 123.633 120.400 0.132 0.000 2.164 480 K HA 0.359 4.663 4.320 -0.026 0.000 0.258 480 K C -0.824 175.856 176.600 0.133 0.000 0.951 480 K CA -0.568 55.780 56.287 0.102 0.000 0.844 480 K CB 1.899 34.429 32.500 0.049 0.000 1.099 480 K HN 0.602 nan 8.250 nan 0.000 0.435 481 E N 2.656 122.896 120.200 0.068 0.000 2.044 481 E HA -0.011 4.324 4.350 -0.026 0.000 0.282 481 E C -0.959 175.578 176.600 -0.105 0.000 1.031 481 E CA -0.131 56.212 56.400 -0.096 0.000 0.824 481 E CB 0.666 30.284 29.700 -0.138 0.000 1.076 481 E HN 0.342 nan 8.360 nan 0.000 0.395 482 E N 4.328 124.458 120.200 -0.117 0.000 2.173 482 E HA 0.267 4.601 4.350 -0.026 0.000 0.249 482 E C 0.289 176.830 176.600 -0.097 0.000 0.923 482 E CA 0.107 56.459 56.400 -0.079 0.000 0.754 482 E CB 0.622 30.298 29.700 -0.040 0.000 1.177 482 E HN 0.895 nan 8.360 nan 0.000 0.430 483 G N 5.044 113.786 108.800 -0.097 0.000 2.550 483 G HA2 -0.379 3.565 3.960 -0.026 0.000 0.277 483 G HA3 -0.379 3.565 3.960 -0.026 0.000 0.277 483 G C 0.459 175.277 174.900 -0.136 0.000 1.190 483 G CA 0.239 45.284 45.100 -0.091 0.000 0.971 483 G HN 0.567 nan 8.290 nan 0.000 0.559 484 N N 1.780 120.417 118.700 -0.105 0.000 2.652 484 N HA 0.391 5.115 4.740 -0.026 0.000 0.259 484 N C -0.343 175.088 175.510 -0.132 0.000 1.240 484 N CA 1.055 54.035 53.050 -0.116 0.000 0.951 484 N CB -0.300 38.153 38.487 -0.057 0.000 1.281 484 N HN 0.644 nan 8.380 nan 0.000 0.507 485 T N 0.480 114.908 114.554 -0.210 0.000 2.971 485 T HA 0.340 4.675 4.350 -0.026 0.000 0.304 485 T C -1.165 173.366 174.700 -0.281 0.000 1.038 485 T CA -0.450 61.559 62.100 -0.152 0.000 1.007 485 T CB 0.532 69.362 68.868 -0.063 0.000 1.055 485 T HN -0.072 nan 8.240 nan 0.000 0.451 486 F N 2.338 122.300 119.950 0.021 0.000 2.410 486 F HA 0.732 5.247 4.527 -0.020 0.000 0.349 486 F C 0.609 176.408 175.800 -0.002 0.000 1.117 486 F CA -0.670 57.335 58.000 0.008 0.000 1.104 486 F CB 1.228 40.232 39.000 0.007 0.000 1.122 486 F HN 0.654 nan 8.300 nan 0.000 0.483 487 A N 4.100 127.030 122.820 0.183 0.000 2.413 487 A HA 0.776 5.080 4.320 -0.026 0.000 0.307 487 A C -0.897 176.743 177.584 0.093 0.000 1.087 487 A CA -0.835 51.261 52.037 0.099 0.000 0.750 487 A CB 1.015 20.047 19.000 0.054 0.000 1.296 487 A HN 0.736 nan 8.150 nan 0.000 0.423 488 L N 2.006 123.262 121.223 0.055 0.000 2.453 488 L HA 0.223 4.547 4.340 -0.026 0.000 0.272 488 L C 1.379 178.281 176.870 0.052 0.000 1.182 488 L CA -0.249 54.622 54.840 0.052 0.000 0.858 488 L CB 0.622 42.694 42.059 0.022 0.000 1.120 488 L HN 0.958 nan 8.230 nan 0.000 0.474 489 T N -0.962 113.631 114.554 0.065 0.000 2.795 489 T HA 0.017 4.351 4.350 -0.026 0.000 0.314 489 T C 1.178 175.907 174.700 0.048 0.000 1.069 489 T CA -0.680 61.452 62.100 0.054 0.000 1.071 489 T CB 0.543 69.447 68.868 0.059 0.000 0.988 489 T HN 0.521 nan 8.240 nan 0.000 0.543 490 N N 0.134 118.863 118.700 0.048 0.000 2.149 490 N HA -0.109 4.615 4.740 -0.026 0.000 0.188 490 N C 1.279 176.832 175.510 0.071 0.000 1.019 490 N CA 1.025 54.103 53.050 0.047 0.000 0.857 490 N CB -0.682 37.831 38.487 0.043 0.000 0.997 490 N HN 0.706 nan 8.380 nan 0.000 0.426 491 F N 1.629 121.536 119.950 -0.071 0.000 2.134 491 F HA 0.007 4.517 4.527 -0.029 0.000 0.299 491 F C 2.279 178.038 175.800 -0.069 0.000 1.097 491 F CA 1.497 59.434 58.000 -0.106 0.000 1.264 491 F CB -0.739 38.137 39.000 -0.206 0.000 1.001 491 F HN -0.001 nan 8.300 nan 0.000 0.479 492 G N -0.229 108.520 108.800 -0.085 0.000 2.422 492 G HA2 -0.315 3.629 3.960 -0.026 0.000 0.218 492 G HA3 -0.315 3.629 3.960 -0.026 0.000 0.218 492 G C 1.655 176.532 174.900 -0.037 0.000 1.146 492 G CA 1.016 46.111 45.100 -0.008 0.000 0.769 492 G HN 0.306 nan 8.290 nan 0.000 0.547 493 K N 0.548 120.925 120.400 -0.038 0.000 2.057 493 K HA 0.021 4.325 4.320 -0.026 0.000 0.206 493 K C 2.459 179.018 176.600 -0.068 0.000 1.050 493 K CA 1.016 57.275 56.287 -0.046 0.000 0.935 493 K CB -0.280 32.204 32.500 -0.027 0.000 0.715 493 K HN 0.152 nan 8.250 nan 0.000 0.439 494 R N -0.097 120.355 120.500 -0.079 0.000 2.081 494 R HA -0.027 4.297 4.340 -0.026 0.000 0.235 494 R C 1.974 178.225 176.300 -0.081 0.000 1.131 494 R CA 1.519 57.579 56.100 -0.066 0.000 0.960 494 R CB -0.715 29.555 30.300 -0.050 0.000 0.856 494 R HN 0.086 nan 8.270 nan 0.000 0.436 495 V N 0.685 120.486 119.914 -0.189 0.000 2.287 495 V HA -0.263 3.842 4.120 -0.026 0.000 0.248 495 V C 2.334 178.414 176.094 -0.023 0.000 1.053 495 V CA 2.033 64.250 62.300 -0.138 0.000 1.027 495 V CB -0.982 30.731 31.823 -0.183 0.000 0.646 495 V HN 0.545 nan 8.190 nan 0.000 0.447 496 A N -0.196 122.602 122.820 -0.036 0.000 1.940 496 A HA -0.261 4.044 4.320 -0.026 0.000 0.219 496 A C 1.981 179.583 177.584 0.031 0.000 1.176 496 A CA 2.109 54.133 52.037 -0.023 0.000 0.631 496 A CB -0.594 18.373 19.000 -0.055 0.000 0.814 496 A HN 0.556 nan 8.150 nan 0.000 0.446 497 D N -0.158 120.236 120.400 -0.010 0.000 2.183 497 D HA -0.043 4.582 4.640 -0.026 0.000 0.203 497 D C 1.810 178.287 176.300 0.295 0.000 0.969 497 D CA 0.843 54.849 54.000 0.009 0.000 0.842 497 D CB -0.239 40.523 40.800 -0.063 0.000 0.957 497 D HN 0.462 nan 8.370 nan 0.000 0.484 498 L N -1.242 120.142 121.223 0.268 0.000 2.395 498 L HA -0.038 4.286 4.340 -0.026 0.000 0.218 498 L C 0.666 177.905 176.870 0.615 0.000 1.130 498 L CA 0.247 55.343 54.840 0.426 0.000 0.826 498 L CB -0.151 42.086 42.059 0.296 0.000 0.941 498 L HN 0.072 nan 8.230 nan 0.000 0.451 499 Y N 0.108 120.551 120.300 0.238 0.000 4.729 499 Y HA -0.258 4.279 4.550 -0.022 0.000 0.239 499 Y C 0.517 176.591 175.900 0.290 0.000 1.043 499 Y CA -0.191 57.986 58.100 0.128 0.000 2.045 499 Y CB -1.428 36.892 38.460 -0.232 0.000 1.599 499 Y HN 0.227 nan 8.280 nan 0.000 0.655 500 I N -1.101 119.622 120.570 0.256 0.000 2.532 500 I HA 0.264 4.418 4.170 -0.026 0.000 0.292 500 I C 0.845 176.969 176.117 0.010 0.000 1.014 500 I CA -0.556 60.831 61.300 0.146 0.000 1.340 500 I CB 0.873 38.852 38.000 -0.034 0.000 1.422 500 I HN 0.231 nan 8.210 nan 0.000 0.528 501 N N 5.200 123.910 118.700 0.016 0.000 2.407 501 N HA 0.056 4.780 4.740 -0.026 0.000 0.250 501 N C -1.724 173.793 175.510 0.012 0.000 1.236 501 N CA -0.945 52.099 53.050 -0.010 0.000 0.879 501 N CB 1.194 39.710 38.487 0.048 0.000 1.088 501 N HN 0.461 nan 8.380 nan 0.000 0.450 502 P HA -0.128 nan 4.420 nan 0.000 0.216 502 P C 0.922 178.255 177.300 0.054 0.000 1.150 502 P CA 1.440 64.387 63.100 -0.255 0.000 0.843 502 P CB 0.003 31.248 31.700 -0.757 0.000 0.787 503 F N -0.703 119.279 119.950 0.054 0.000 2.134 503 F HA -0.163 4.350 4.527 -0.023 0.000 0.299 503 F C 2.393 178.291 175.800 0.163 0.000 1.097 503 F CA 1.584 59.660 58.000 0.127 0.000 1.264 503 F CB -1.635 37.325 39.000 -0.066 0.000 1.001 503 F HN -0.105 nan 8.300 nan 0.000 0.479 504 T N -0.087 114.625 114.554 0.264 0.000 2.674 504 T HA -0.222 4.112 4.350 -0.026 0.000 0.265 504 T C 2.302 177.128 174.700 0.210 0.000 1.039 504 T CA 1.423 63.626 62.100 0.172 0.000 1.150 504 T CB -0.733 68.174 68.868 0.065 0.000 0.864 504 T HN 0.303 nan 8.240 nan 0.000 0.427 505 A N 1.443 124.415 122.820 0.253 0.000 1.908 505 A HA -0.179 4.125 4.320 -0.026 0.000 0.218 505 A C 2.098 179.962 177.584 0.466 0.000 1.181 505 A CA 2.234 54.477 52.037 0.342 0.000 0.627 505 A CB -0.894 18.305 19.000 0.332 0.000 0.818 505 A HN 0.557 nan 8.150 nan 0.000 0.445 506 D N -0.466 120.242 120.400 0.513 0.000 2.117 506 D HA -0.097 4.527 4.640 -0.026 0.000 0.198 506 D C 1.713 178.179 176.300 0.277 0.000 0.982 506 D CA 1.260 55.498 54.000 0.397 0.000 0.828 506 D CB -0.204 40.837 40.800 0.401 0.000 0.967 506 D HN 0.476 nan 8.370 nan 0.000 0.464 507 I N 0.160 120.907 120.570 0.295 0.000 2.163 507 I HA -0.254 3.900 4.170 -0.026 0.000 0.243 507 I C 2.303 178.541 176.117 0.201 0.000 1.085 507 I CA 0.874 62.330 61.300 0.261 0.000 1.347 507 I CB -0.219 37.958 38.000 0.293 0.000 1.044 507 I HN 0.129 nan 8.210 nan 0.000 0.408 508 I N 0.161 120.846 120.570 0.191 0.000 2.163 508 I HA -0.331 3.823 4.170 -0.026 0.000 0.243 508 I C 2.788 178.968 176.117 0.104 0.000 1.085 508 I CA 1.399 62.786 61.300 0.144 0.000 1.347 508 I CB -0.438 37.651 38.000 0.148 0.000 1.044 508 I HN 0.187 nan 8.210 nan 0.000 0.408 509 R N 1.409 121.978 120.500 0.116 0.000 2.083 509 R HA -0.212 4.113 4.340 -0.026 0.000 0.237 509 R C 2.290 178.580 176.300 -0.016 0.000 1.137 509 R CA 1.700 57.793 56.100 -0.012 0.000 0.951 509 R CB -0.089 30.103 30.300 -0.179 0.000 0.851 509 R HN 0.272 nan 8.270 nan 0.000 0.434 510 K N -0.762 119.662 120.400 0.040 0.000 2.057 510 K HA -0.098 4.206 4.320 -0.026 0.000 0.207 510 K C 2.068 178.709 176.600 0.069 0.000 1.049 510 K CA 1.430 57.747 56.287 0.050 0.000 0.931 510 K CB -0.318 32.243 32.500 0.101 0.000 0.714 510 K HN 0.403 nan 8.250 nan 0.000 0.440 511 G N 1.310 110.170 108.800 0.099 0.000 2.418 511 G HA2 -0.215 3.729 3.960 -0.026 0.000 0.217 511 G HA3 -0.215 3.729 3.960 -0.026 0.000 0.217 511 G C 1.474 176.428 174.900 0.091 0.000 1.158 511 G CA 0.582 45.764 45.100 0.136 0.000 0.771 511 G HN 0.093 nan 8.290 nan 0.000 0.545 512 L N -0.140 121.057 121.223 -0.043 0.000 2.109 512 L HA 0.055 4.379 4.340 -0.026 0.000 0.207 512 L C 2.766 179.655 176.870 0.031 0.000 1.086 512 L CA 0.947 55.645 54.840 -0.236 0.000 0.760 512 L CB -0.394 41.481 42.059 -0.306 0.000 0.910 512 L HN 0.256 nan 8.230 nan 0.000 0.437 513 E N 0.170 120.381 120.200 0.019 0.000 2.216 513 E HA -0.088 4.246 4.350 -0.026 0.000 0.192 513 E C 2.094 178.696 176.600 0.003 0.000 0.988 513 E CA 0.813 57.224 56.400 0.019 0.000 0.834 513 E CB -0.060 29.613 29.700 -0.045 0.000 0.772 513 E HN 0.509 nan 8.360 nan 0.000 0.479 514 G N -0.254 108.527 108.800 -0.032 0.000 2.777 514 G HA2 -0.035 3.910 3.960 -0.026 0.000 0.211 514 G HA3 -0.035 3.910 3.960 -0.026 0.000 0.211 514 G C 0.123 174.791 174.900 -0.386 0.000 1.149 514 G CA 0.133 45.114 45.100 -0.198 0.000 0.785 514 G HN 0.171 nan 8.290 nan 0.000 0.536 515 H N -1.174 117.948 119.070 0.086 0.000 2.895 515 H HA 0.443 4.982 4.556 -0.027 0.000 0.373 515 H C -0.202 175.231 175.328 0.175 0.000 1.174 515 H CA -0.898 55.209 56.048 0.099 0.000 1.144 515 H CB 1.730 31.532 29.762 0.066 0.000 1.793 515 H HN -0.104 nan 8.280 nan 0.000 0.551 516 K N 0.641 121.172 120.400 0.218 0.000 2.188 516 K HA 0.381 4.685 4.320 -0.026 0.000 0.246 516 K C 0.045 176.695 176.600 0.085 0.000 1.026 516 K CA -0.207 56.130 56.287 0.084 0.000 0.871 516 K CB 0.359 32.886 32.500 0.045 0.000 1.042 516 K HN 0.656 nan 8.250 nan 0.000 0.509 517 A N 1.308 124.052 122.820 -0.127 0.000 2.546 517 A HA 0.073 4.378 4.320 -0.026 0.000 0.243 517 A C 0.249 177.904 177.584 0.118 0.000 1.063 517 A CA 0.390 52.425 52.037 -0.003 0.000 0.757 517 A CB 0.343 19.317 19.000 -0.044 0.000 0.991 517 A HN 0.546 nan 8.150 nan 0.000 0.503 518 S N -0.069 115.722 115.700 0.152 0.000 2.795 518 S HA 0.613 5.067 4.470 -0.026 0.000 0.308 518 S C 0.452 175.111 174.600 0.098 0.000 1.098 518 S CA -0.010 58.173 58.200 -0.027 0.000 0.934 518 S CB 0.573 63.606 63.200 -0.279 0.000 1.300 518 S HN 1.584 nan 8.310 nan 0.000 0.566 519 c N 0.653 119.257 118.600 0.006 0.000 2.365 519 c HA 0.678 5.232 4.570 -0.026 0.000 0.374 519 c C 1.729 175.937 174.090 0.197 0.000 1.318 519 c CA -0.168 56.221 56.329 0.100 0.000 2.239 519 c CB -0.390 42.139 42.510 0.032 0.000 2.144 519 c HN 0.934 nan 8.230 nan 0.000 0.581 520 E N 0.233 120.551 120.200 0.198 0.000 2.077 520 E HA -0.125 4.209 4.350 -0.026 0.000 0.193 520 E C 1.666 178.376 176.600 0.184 0.000 0.989 520 E CA 1.270 57.809 56.400 0.231 0.000 0.800 520 E CB -0.474 29.301 29.700 0.125 0.000 0.746 520 E HN 0.686 nan 8.360 nan 0.000 0.452 521 L N 0.368 121.644 121.223 0.088 0.000 2.083 521 L HA -0.096 4.228 4.340 -0.026 0.000 0.209 521 L C 2.070 178.948 176.870 0.013 0.000 1.083 521 L CA 1.802 56.668 54.840 0.044 0.000 0.752 521 L CB -0.577 41.484 42.059 0.002 0.000 0.899 521 L HN 0.139 nan 8.230 nan 0.000 0.433 522 A N -1.307 121.473 122.820 -0.067 0.000 1.933 522 A HA -0.234 4.070 4.320 -0.026 0.000 0.218 522 A C 2.050 179.548 177.584 -0.144 0.000 1.175 522 A CA 1.917 53.842 52.037 -0.186 0.000 0.628 522 A CB -0.984 17.810 19.000 -0.342 0.000 0.814 522 A HN 0.550 nan 8.150 nan 0.000 0.444 523 Y N -0.116 120.203 120.300 0.031 0.000 2.184 523 Y HA -0.052 4.482 4.550 -0.027 0.000 0.290 523 Y C 2.220 178.147 175.900 0.045 0.000 1.129 523 Y CA 1.259 59.382 58.100 0.038 0.000 1.144 523 Y CB -0.587 37.901 38.460 0.046 0.000 0.995 523 Y HN 0.156 nan 8.280 nan 0.000 0.513 524 L N -0.771 120.578 121.223 0.210 0.000 2.042 524 L HA -0.302 4.023 4.340 -0.026 0.000 0.210 524 L C 2.656 179.580 176.870 0.090 0.000 1.076 524 L CA 1.917 56.835 54.840 0.130 0.000 0.749 524 L CB -0.767 41.356 42.059 0.108 0.000 0.893 524 L HN 0.424 nan 8.230 nan 0.000 0.432 525 H N 0.324 119.381 119.070 -0.021 0.000 2.353 525 H HA -0.203 4.338 4.556 -0.025 0.000 0.300 525 H C 2.239 177.549 175.328 -0.030 0.000 1.090 525 H CA 2.004 58.006 56.048 -0.077 0.000 1.327 525 H CB 0.068 29.719 29.762 -0.184 0.000 1.383 525 H HN 0.253 nan 8.280 nan 0.000 0.508 526 L N 0.925 122.171 121.223 0.037 0.000 2.012 526 L HA -0.173 4.151 4.340 -0.026 0.000 0.210 526 L C 2.495 179.405 176.870 0.066 0.000 1.073 526 L CA 1.462 56.328 54.840 0.044 0.000 0.748 526 L CB -0.675 41.430 42.059 0.075 0.000 0.891 526 L HN 0.252 nan 8.230 nan 0.000 0.431 527 L N -0.804 120.455 121.223 0.060 0.000 2.109 527 L HA -0.077 4.247 4.340 -0.026 0.000 0.207 527 L C 2.679 179.557 176.870 0.013 0.000 1.086 527 L CA 0.963 55.830 54.840 0.044 0.000 0.760 527 L CB -0.882 41.205 42.059 0.047 0.000 0.910 527 L HN 0.355 nan 8.230 nan 0.000 0.437 528 A N -0.310 122.504 122.820 -0.010 0.000 1.972 528 A HA -0.252 4.052 4.320 -0.026 0.000 0.219 528 A C 2.188 179.751 177.584 -0.035 0.000 1.169 528 A CA 1.290 53.306 52.037 -0.035 0.000 0.635 528 A CB -0.818 18.146 19.000 -0.060 0.000 0.810 528 A HN 0.434 nan 8.150 nan 0.000 0.446 529 F N 1.919 121.729 119.950 -0.233 0.000 2.293 529 F HA -0.058 4.456 4.527 -0.022 0.000 0.300 529 F C 1.699 177.451 175.800 -0.080 0.000 1.086 529 F CA 1.258 59.137 58.000 -0.202 0.000 1.375 529 F CB -0.271 38.569 39.000 -0.266 0.000 1.045 529 F HN 0.264 nan 8.300 nan 0.000 0.516 530 T N -1.228 113.315 114.554 -0.019 0.000 2.855 530 T HA 0.069 4.404 4.350 -0.026 0.000 0.314 530 T C -1.523 173.104 174.700 -0.123 0.000 1.077 530 T CA -1.276 60.789 62.100 -0.059 0.000 1.095 530 T CB 0.823 69.704 68.868 0.021 0.000 0.987 530 T HN -0.087 nan 8.240 nan 0.000 0.546 531 P HA -0.025 nan 4.420 nan 0.000 0.219 531 P C 0.983 178.269 177.300 -0.024 0.000 1.146 531 P CA 0.840 63.879 63.100 -0.102 0.000 0.808 531 P CB 0.049 31.688 31.700 -0.101 0.000 0.779 532 D N -0.894 119.513 120.400 0.012 0.000 2.347 532 D HA 0.026 4.650 4.640 -0.026 0.000 0.215 532 D C 1.359 177.712 176.300 0.088 0.000 0.976 532 D CA 0.545 54.601 54.000 0.094 0.000 0.884 532 D CB -0.243 40.556 40.800 -0.002 0.000 0.915 532 D HN 0.122 nan 8.370 nan 0.000 0.526 533 G N 1.624 110.431 108.800 0.011 0.000 2.606 533 G HA2 0.306 4.251 3.960 -0.026 0.000 0.252 533 G HA3 0.306 4.251 3.960 -0.026 0.000 0.252 533 G C -2.502 172.412 174.900 0.023 0.000 1.206 533 G CA -0.757 44.349 45.100 0.011 0.000 0.861 533 G HN -0.054 nan 8.290 nan 0.000 0.561 534 P HA 0.303 nan 4.420 nan 0.000 0.274 534 P C -0.490 176.800 177.300 -0.016 0.000 1.231 534 P CA -0.241 62.867 63.100 0.012 0.000 0.790 534 P CB 0.898 32.598 31.700 -0.000 0.000 0.951 535 L N 1.697 122.910 121.223 -0.016 0.000 2.346 535 L HA 0.650 4.974 4.340 -0.026 0.000 0.276 535 L C -0.079 176.779 176.870 -0.020 0.000 1.006 535 L CA -0.934 53.891 54.840 -0.025 0.000 0.817 535 L CB 2.057 44.099 42.059 -0.028 0.000 1.272 535 L HN 0.131 nan 8.230 nan 0.000 0.421 536 V N 1.446 121.348 119.914 -0.021 0.000 2.960 536 V HA 0.476 4.580 4.120 -0.026 0.000 0.315 536 V C -0.016 176.074 176.094 -0.006 0.000 1.087 536 V CA -0.336 61.953 62.300 -0.017 0.000 0.982 536 V CB 2.670 34.474 31.823 -0.033 0.000 1.039 536 V HN 0.807 nan 8.190 nan 0.000 0.437 537 S N 2.393 118.093 115.700 0.000 0.000 2.548 537 S HA 0.498 4.953 4.470 -0.026 0.000 0.277 537 S C -0.553 174.059 174.600 0.020 0.000 1.315 537 S CA -0.306 57.898 58.200 0.007 0.000 1.050 537 S CB 1.079 64.281 63.200 0.004 0.000 0.918 537 S HN 0.567 nan 8.310 nan 0.000 0.497 538 V N 3.301 123.229 119.914 0.023 0.000 2.409 538 V HA 0.528 4.632 4.120 -0.026 0.000 0.291 538 V C 0.947 177.063 176.094 0.036 0.000 1.020 538 V CA -0.822 61.499 62.300 0.035 0.000 0.848 538 V CB 1.384 33.227 31.823 0.033 0.000 0.990 538 V HN 0.963 nan 8.190 nan 0.000 0.430 539 G N 3.486 112.311 108.800 0.041 0.000 2.699 539 G HA2 0.196 4.140 3.960 -0.026 0.000 0.246 539 G HA3 0.196 4.140 3.960 -0.026 0.000 0.246 539 G C 0.710 175.632 174.900 0.037 0.000 1.219 539 G CA -0.273 44.848 45.100 0.034 0.000 0.866 539 G HN 0.744 nan 8.290 nan 0.000 0.572 540 R N -0.081 120.438 120.500 0.032 0.000 2.062 540 R HA -0.060 4.265 4.340 -0.026 0.000 0.229 540 R C 2.397 178.720 176.300 0.038 0.000 1.128 540 R CA 1.140 57.262 56.100 0.036 0.000 0.960 540 R CB -0.196 30.122 30.300 0.030 0.000 0.855 540 R HN 0.536 nan 8.270 nan 0.000 0.432 541 N N 1.039 119.758 118.700 0.032 0.000 2.120 541 N HA -0.211 4.514 4.740 -0.026 0.000 0.188 541 N C 1.713 177.244 175.510 0.036 0.000 1.024 541 N CA 1.142 54.211 53.050 0.031 0.000 0.852 541 N CB -0.188 38.312 38.487 0.022 0.000 1.003 541 N HN 0.401 nan 8.380 nan 0.000 0.424 542 E N 1.304 121.527 120.200 0.039 0.000 2.085 542 E HA -0.220 4.114 4.350 -0.026 0.000 0.194 542 E C 1.792 178.425 176.600 0.054 0.000 0.994 542 E CA 1.070 57.499 56.400 0.048 0.000 0.801 542 E CB 0.004 29.739 29.700 0.059 0.000 0.743 542 E HN 0.373 nan 8.360 nan 0.000 0.453 543 E N 0.276 120.508 120.200 0.054 0.000 2.085 543 E HA -0.246 4.088 4.350 -0.026 0.000 0.194 543 E C 1.926 178.566 176.600 0.068 0.000 0.994 543 E CA 1.578 58.014 56.400 0.059 0.000 0.801 543 E CB 0.032 29.772 29.700 0.066 0.000 0.743 543 E HN 0.375 nan 8.360 nan 0.000 0.453 544 E N 0.170 120.409 120.200 0.064 0.000 2.110 544 E HA -0.211 4.123 4.350 -0.026 0.000 0.193 544 E C 2.034 178.666 176.600 0.054 0.000 0.988 544 E CA 1.154 57.592 56.400 0.063 0.000 0.804 544 E CB -0.061 29.670 29.700 0.051 0.000 0.745 544 E HN 0.396 nan 8.360 nan 0.000 0.458 545 E N 0.673 120.901 120.200 0.047 0.000 2.106 545 E HA -0.150 4.185 4.350 -0.026 0.000 0.192 545 E C 2.174 178.801 176.600 0.045 0.000 0.984 545 E CA 0.685 57.110 56.400 0.041 0.000 0.806 545 E CB -0.018 29.704 29.700 0.037 0.000 0.750 545 E HN 0.241 nan 8.360 nan 0.000 0.458 546 L N 0.566 121.819 121.223 0.049 0.000 2.072 546 L HA -0.142 4.182 4.340 -0.026 0.000 0.205 546 L C 2.435 179.328 176.870 0.039 0.000 1.079 546 L CA 0.803 55.666 54.840 0.038 0.000 0.752 546 L CB -0.328 41.748 42.059 0.029 0.000 0.906 546 L HN 0.141 nan 8.230 nan 0.000 0.436 547 I N -0.066 120.545 120.570 0.067 0.000 2.163 547 I HA -0.339 3.815 4.170 -0.026 0.000 0.243 547 I C 2.677 178.842 176.117 0.079 0.000 1.085 547 I CA 1.575 62.939 61.300 0.107 0.000 1.347 547 I CB -0.339 37.756 38.000 0.158 0.000 1.044 547 I HN 0.377 nan 8.210 nan 0.000 0.408 548 E N 1.142 121.378 120.200 0.060 0.000 2.058 548 E HA -0.285 4.049 4.350 -0.026 0.000 0.194 548 E C 2.295 178.915 176.600 0.032 0.000 0.997 548 E CA 1.417 57.843 56.400 0.043 0.000 0.801 548 E CB -0.085 29.637 29.700 0.036 0.000 0.746 548 E HN 0.312 nan 8.360 nan 0.000 0.450 549 L N 1.118 122.358 121.223 0.028 0.000 2.013 549 L HA -0.213 4.111 4.340 -0.026 0.000 0.212 549 L C 2.385 179.257 176.870 0.004 0.000 1.073 549 L CA 1.516 56.365 54.840 0.015 0.000 0.753 549 L CB -0.450 41.617 42.059 0.014 0.000 0.890 549 L HN 0.264 nan 8.230 nan 0.000 0.432 550 L N -0.449 120.779 121.223 0.008 0.000 2.043 550 L HA -0.265 4.059 4.340 -0.026 0.000 0.212 550 L C 2.442 179.319 176.870 0.011 0.000 1.075 550 L CA 2.097 56.938 54.840 0.003 0.000 0.752 550 L CB -0.558 41.531 42.059 0.050 0.000 0.891 550 L HN 0.560 nan 8.230 nan 0.000 0.432 551 E N -1.786 118.429 120.200 0.026 0.000 2.489 551 E HA -0.095 4.239 4.350 -0.026 0.000 0.193 551 E C 0.679 177.285 176.600 0.011 0.000 1.057 551 E CA 0.394 56.806 56.400 0.021 0.000 0.866 551 E CB 0.097 29.815 29.700 0.030 0.000 0.916 551 E HN 0.405 nan 8.360 nan 0.000 0.500 552 D N 0.555 120.959 120.400 0.008 0.000 2.398 552 D HA 0.082 4.706 4.640 -0.026 0.000 0.210 552 D C -0.189 176.109 176.300 -0.004 0.000 1.094 552 D CA -0.189 53.814 54.000 0.004 0.000 0.839 552 D CB 0.513 41.317 40.800 0.008 0.000 0.963 552 D HN 0.167 nan 8.370 nan 0.000 0.506 553 L N 1.645 122.861 121.223 -0.012 0.000 2.380 553 L HA 0.093 4.418 4.340 -0.026 0.000 0.273 553 L C 1.109 177.964 176.870 -0.025 0.000 1.138 553 L CA 0.506 55.331 54.840 -0.025 0.000 0.832 553 L CB 0.937 42.967 42.059 -0.048 0.000 1.124 553 L HN -0.184 nan 8.230 nan 0.000 0.454 554 D N 1.648 122.034 120.400 -0.023 0.000 2.201 554 D HA -0.060 4.565 4.640 -0.026 0.000 0.209 554 D C 0.546 176.827 176.300 -0.032 0.000 0.961 554 D CA 0.532 54.520 54.000 -0.020 0.000 0.861 554 D CB 0.155 40.948 40.800 -0.011 0.000 0.997 554 D HN 0.579 nan 8.370 nan 0.000 0.486 555 c N 3.766 122.340 118.600 -0.042 0.000 2.693 555 c HA 0.033 4.587 4.570 -0.026 0.000 0.393 555 c C 0.632 174.663 174.090 -0.098 0.000 1.348 555 c CA -0.507 55.785 56.329 -0.062 0.000 1.508 555 c CB -1.991 40.484 42.510 -0.059 0.000 2.295 555 c HN 0.095 nan 8.230 nan 0.000 0.605 556 E N 4.641 124.783 120.200 -0.097 0.000 2.480 556 E HA 0.089 4.423 4.350 -0.026 0.000 0.258 556 E C 0.091 176.557 176.600 -0.223 0.000 0.984 556 E CA 0.263 56.586 56.400 -0.129 0.000 0.930 556 E CB 0.501 30.144 29.700 -0.095 0.000 0.936 556 E HN 0.691 nan 8.360 nan 0.000 0.466 557 L N 3.416 124.493 121.223 -0.244 0.000 2.475 557 L HA 0.069 4.394 4.340 -0.026 0.000 0.253 557 L C 1.173 177.796 176.870 -0.410 0.000 1.198 557 L CA -0.254 54.397 54.840 -0.315 0.000 0.814 557 L CB 0.302 42.140 42.059 -0.368 0.000 1.134 557 L HN 0.568 nan 8.230 nan 0.000 0.478 558 L N 1.649 122.659 121.223 -0.355 0.000 2.640 558 L HA 0.340 4.665 4.340 -0.026 0.000 0.230 558 L C -0.017 176.826 176.870 -0.046 0.000 1.123 558 L CA 0.203 54.790 54.840 -0.422 0.000 0.900 558 L CB 0.087 41.990 42.059 -0.259 0.000 1.146 558 L HN 0.399 nan 8.230 nan 0.000 0.484 559 I N -0.303 120.269 120.570 0.002 0.000 2.498 559 I HA 0.177 4.331 4.170 -0.026 0.000 0.290 559 I C 0.164 176.336 176.117 0.091 0.000 1.032 559 I CA -0.549 60.790 61.300 0.066 0.000 1.073 559 I CB 2.586 40.556 38.000 -0.051 0.000 1.251 559 I HN -0.017 nan 8.210 nan 0.000 0.426 560 E N 5.635 125.862 120.200 0.046 0.000 2.384 560 E HA -0.014 4.321 4.350 -0.026 0.000 0.266 560 E C -0.107 176.333 176.600 -0.266 0.000 1.012 560 E CA -0.245 56.130 56.400 -0.043 0.000 0.901 560 E CB 0.754 30.450 29.700 -0.007 0.000 0.967 560 E HN 0.512 nan 8.360 nan 0.000 0.435 561 E N 4.961 124.892 120.200 -0.448 0.000 2.493 561 E HA 0.043 4.378 4.350 -0.026 0.000 0.255 561 E C -2.106 174.101 176.600 -0.655 0.000 0.999 561 E CA -1.498 54.373 56.400 -0.883 0.000 0.934 561 E CB 0.533 29.901 29.700 -0.555 0.000 0.940 561 E HN 0.277 nan 8.360 nan 0.000 0.473 562 P HA -0.024 nan 4.420 nan 0.000 0.272 562 P C -0.651 176.459 177.300 -0.317 0.000 1.230 562 P CA 0.272 63.230 63.100 -0.238 0.000 0.788 562 P CB 0.351 32.059 31.700 0.012 0.000 0.949 563 Y N -1.291 119.009 120.300 -0.000 0.000 2.500 563 Y HA 0.107 4.640 4.550 -0.029 0.000 0.284 563 Y C 0.821 176.714 175.900 -0.012 0.000 1.118 563 Y CA 0.272 58.352 58.100 -0.033 0.000 1.241 563 Y CB -0.323 38.121 38.460 -0.027 0.000 1.171 563 Y HN 0.278 nan 8.280 nan 0.000 0.540 564 E N 1.626 121.939 120.200 0.188 0.000 2.415 564 E HA -0.062 4.272 4.350 -0.026 0.000 0.260 564 E C 0.924 177.607 176.600 0.138 0.000 1.016 564 E CA 0.135 56.617 56.400 0.136 0.000 0.924 564 E CB 0.606 30.385 29.700 0.131 0.000 0.961 564 E HN 0.289 nan 8.360 nan 0.000 0.459 565 E N 3.370 123.633 120.200 0.104 0.000 2.097 565 E HA -0.304 4.030 4.350 -0.026 0.000 0.196 565 E C 1.093 177.795 176.600 0.169 0.000 1.000 565 E CA 1.821 58.295 56.400 0.124 0.000 0.804 565 E CB 0.194 29.939 29.700 0.075 0.000 0.740 565 E HN 0.680 nan 8.360 nan 0.000 0.454 566 D N 0.247 120.721 120.400 0.123 0.000 2.084 566 D HA -0.233 4.392 4.640 -0.026 0.000 0.194 566 D C 1.744 178.129 176.300 0.142 0.000 0.990 566 D CA 1.040 55.103 54.000 0.106 0.000 0.826 566 D CB -0.716 40.120 40.800 0.061 0.000 0.971 566 D HN 0.302 nan 8.370 nan 0.000 0.453 567 E N -0.188 120.113 120.200 0.169 0.000 2.097 567 E HA -0.223 4.111 4.350 -0.026 0.000 0.196 567 E C 2.106 178.904 176.600 0.329 0.000 1.000 567 E CA 0.892 57.443 56.400 0.251 0.000 0.804 567 E CB -0.291 29.562 29.700 0.255 0.000 0.740 567 E HN 0.412 nan 8.360 nan 0.000 0.454 568 Y N 0.753 121.136 120.300 0.138 0.000 2.181 568 Y HA -0.266 4.267 4.550 -0.029 0.000 0.288 568 Y C 2.768 178.790 175.900 0.202 0.000 1.146 568 Y CA 1.824 59.999 58.100 0.126 0.000 1.164 568 Y CB -0.241 38.241 38.460 0.036 0.000 0.982 568 Y HN -0.009 nan 8.280 nan 0.000 0.515 569 S N 0.077 115.904 115.700 0.211 0.000 2.370 569 S HA -0.220 4.235 4.470 -0.026 0.000 0.226 569 S C 1.991 176.645 174.600 0.090 0.000 1.033 569 S CA 1.754 60.024 58.200 0.117 0.000 1.011 569 S CB -0.693 62.578 63.200 0.120 0.000 0.852 569 S HN 0.559 nan 8.310 nan 0.000 0.457 570 L N -0.460 120.851 121.223 0.145 0.000 2.083 570 L HA -0.064 4.260 4.340 -0.026 0.000 0.209 570 L C 2.485 179.539 176.870 0.306 0.000 1.083 570 L CA 1.826 56.758 54.840 0.154 0.000 0.752 570 L CB -0.670 41.431 42.059 0.070 0.000 0.899 570 L HN 0.475 nan 8.230 nan 0.000 0.433 571 Y N 0.468 120.902 120.300 0.223 0.000 2.242 571 Y HA -0.188 4.346 4.550 -0.028 0.000 0.291 571 Y C 2.330 178.264 175.900 0.057 0.000 1.137 571 Y CA 1.430 59.606 58.100 0.126 0.000 1.181 571 Y CB 0.056 38.473 38.460 -0.073 0.000 0.989 571 Y HN 0.009 nan 8.280 nan 0.000 0.527 572 I N 0.031 120.587 120.570 -0.022 0.000 2.406 572 I HA -0.250 3.905 4.170 -0.026 0.000 0.249 572 I C 2.449 178.548 176.117 -0.030 0.000 1.122 572 I CA 0.860 62.107 61.300 -0.088 0.000 1.431 572 I CB -0.478 37.440 38.000 -0.138 0.000 1.087 572 I HN 0.302 nan 8.210 nan 0.000 0.424 573 N N 1.549 120.248 118.700 -0.002 0.000 2.069 573 N HA -0.206 4.518 4.740 -0.026 0.000 0.191 573 N C 1.928 177.424 175.510 -0.023 0.000 1.031 573 N CA 1.864 54.912 53.050 -0.004 0.000 0.852 573 N CB 0.040 38.529 38.487 0.003 0.000 1.018 573 N HN 0.346 nan 8.380 nan 0.000 0.423 574 A N 0.960 123.760 122.820 -0.033 0.000 1.972 574 A HA -0.121 4.184 4.320 -0.026 0.000 0.219 574 A C 2.208 179.774 177.584 -0.030 0.000 1.169 574 A CA 0.901 52.871 52.037 -0.111 0.000 0.635 574 A CB -0.581 18.227 19.000 -0.319 0.000 0.810 574 A HN 0.372 nan 8.150 nan 0.000 0.446 575 L N -0.247 121.017 121.223 0.068 0.000 2.072 575 L HA -0.045 4.280 4.340 -0.026 0.000 0.205 575 L C 2.239 179.103 176.870 -0.009 0.000 1.079 575 L CA 2.432 57.311 54.840 0.065 0.000 0.752 575 L CB -0.504 41.526 42.059 -0.049 0.000 0.906 575 L HN 0.428 nan 8.230 nan 0.000 0.436 576 K N -0.935 119.450 120.400 -0.025 0.000 2.032 576 K HA -0.170 4.134 4.320 -0.026 0.000 0.209 576 K C 1.884 178.390 176.600 -0.156 0.000 1.048 576 K CA 2.062 58.312 56.287 -0.061 0.000 0.927 576 K CB -0.172 32.312 32.500 -0.027 0.000 0.712 576 K HN 0.284 nan 8.250 nan 0.000 0.441 577 V N 1.203 121.051 119.914 -0.109 0.000 2.332 577 V HA -0.272 3.833 4.120 -0.026 0.000 0.248 577 V C 2.448 178.481 176.094 -0.102 0.000 1.055 577 V CA 2.029 64.258 62.300 -0.118 0.000 1.038 577 V CB -0.815 30.965 31.823 -0.072 0.000 0.651 577 V HN 0.515 nan 8.190 nan 0.000 0.450 578 A N -0.248 122.542 122.820 -0.049 0.000 1.902 578 A HA -0.157 4.147 4.320 -0.026 0.000 0.217 578 A C 2.217 179.789 177.584 -0.020 0.000 1.181 578 A CA 1.829 53.864 52.037 -0.004 0.000 0.623 578 A CB -0.543 18.483 19.000 0.043 0.000 0.818 578 A HN 0.512 nan 8.150 nan 0.000 0.443 579 L N -0.709 120.479 121.223 -0.058 0.000 2.093 579 L HA -0.148 4.177 4.340 -0.026 0.000 0.208 579 L C 2.418 179.202 176.870 -0.144 0.000 1.085 579 L CA 0.997 55.813 54.840 -0.039 0.000 0.755 579 L CB -0.485 41.593 42.059 0.031 0.000 0.904 579 L HN 0.382 nan 8.230 nan 0.000 0.435 580 I N -0.911 119.401 120.570 -0.429 0.000 2.202 580 I HA -0.287 3.867 4.170 -0.026 0.000 0.242 580 I C 2.544 178.633 176.117 -0.047 0.000 1.091 580 I CA 1.079 62.104 61.300 -0.458 0.000 1.368 580 I CB -0.228 37.462 38.000 -0.517 0.000 1.058 580 I HN 0.246 nan 8.210 nan 0.000 0.410 581 M N 0.288 119.881 119.600 -0.013 0.000 2.213 581 M HA -0.191 4.273 4.480 -0.026 0.000 0.263 581 M C 2.258 178.674 176.300 0.194 0.000 1.062 581 M CA 1.592 56.971 55.300 0.132 0.000 1.105 581 M CB -1.077 31.578 32.600 0.092 0.000 1.385 581 M HN 0.200 nan 8.290 nan 0.000 0.417 582 K N 0.263 120.732 120.400 0.115 0.000 2.062 582 K HA -0.161 4.143 4.320 -0.026 0.000 0.205 582 K C 1.372 178.044 176.600 0.120 0.000 1.051 582 K CA 1.283 57.635 56.287 0.107 0.000 0.941 582 K CB 0.094 32.642 32.500 0.079 0.000 0.719 582 K HN 0.165 nan 8.250 nan 0.000 0.440 583 D N 0.210 120.706 120.400 0.160 0.000 2.117 583 D HA -0.229 4.396 4.640 -0.026 0.000 0.197 583 D C 1.436 177.852 176.300 0.193 0.000 0.987 583 D CA 0.764 54.874 54.000 0.183 0.000 0.829 583 D CB -0.391 40.576 40.800 0.278 0.000 0.961 583 D HN 0.435 nan 8.370 nan 0.000 0.460 584 W N 1.123 122.450 121.300 0.045 0.000 2.335 584 W HA -0.200 4.445 4.660 -0.025 0.000 0.311 584 W C 1.812 178.342 176.519 0.020 0.000 1.213 584 W CA 0.897 58.260 57.345 0.031 0.000 1.274 584 W CB -0.380 29.093 29.460 0.021 0.000 1.148 584 W HN -0.013 nan 8.180 nan 0.000 0.498 585 M N 0.583 120.150 119.600 -0.054 0.000 2.358 585 M HA -0.163 4.301 4.480 -0.026 0.000 0.264 585 M C 0.573 176.784 176.300 -0.148 0.000 1.064 585 M CA 1.506 56.711 55.300 -0.159 0.000 1.093 585 M CB -0.442 32.154 32.600 -0.007 0.000 1.401 585 M HN -0.239 nan 8.290 nan 0.000 0.440 586 D N 0.222 120.575 120.400 -0.079 0.000 2.342 586 D HA 0.037 4.661 4.640 -0.026 0.000 0.221 586 D C 0.033 176.282 176.300 -0.084 0.000 1.101 586 D CA 0.262 54.225 54.000 -0.061 0.000 0.837 586 D CB 0.082 40.879 40.800 -0.004 0.000 0.938 586 D HN 0.326 nan 8.370 nan 0.000 0.508 587 E N -0.989 119.119 120.200 -0.153 0.000 3.286 587 E HA -0.161 4.173 4.350 -0.026 0.000 0.292 587 E C -0.201 176.356 176.600 -0.071 0.000 0.928 587 E CA 0.001 56.303 56.400 -0.163 0.000 0.982 587 E CB -1.409 28.201 29.700 -0.149 0.000 1.500 587 E HN 0.095 nan 8.360 nan 0.000 0.441 588 V N 2.062 121.969 119.914 -0.011 0.000 2.673 588 V HA -0.031 4.073 4.120 -0.026 0.000 0.303 588 V C 0.853 176.988 176.094 0.068 0.000 1.046 588 V CA 0.865 63.190 62.300 0.042 0.000 1.126 588 V CB 0.408 32.283 31.823 0.087 0.000 0.934 588 V HN 0.268 nan 8.190 nan 0.000 0.487 589 D N 2.243 122.679 120.400 0.059 0.000 2.382 589 D HA 0.051 4.676 4.640 -0.026 0.000 0.240 589 D C 1.015 177.385 176.300 0.117 0.000 1.146 589 D CA -0.211 53.832 54.000 0.073 0.000 0.897 589 D CB 0.841 41.670 40.800 0.048 0.000 1.197 589 D HN 0.680 nan 8.370 nan 0.000 0.432 590 E N 0.735 121.017 120.200 0.138 0.000 2.038 590 E HA -0.310 4.025 4.350 -0.026 0.000 0.195 590 E C 0.998 177.668 176.600 0.116 0.000 1.000 590 E CA 1.588 58.083 56.400 0.158 0.000 0.803 590 E CB 0.005 29.795 29.700 0.150 0.000 0.750 590 E HN 0.546 nan 8.360 nan 0.000 0.448 591 D N -0.233 120.217 120.400 0.084 0.000 2.149 591 D HA -0.147 4.478 4.640 -0.026 0.000 0.198 591 D C 1.966 178.302 176.300 0.059 0.000 0.990 591 D CA 1.617 55.656 54.000 0.065 0.000 0.839 591 D CB -0.544 40.285 40.800 0.048 0.000 0.948 591 D HN 0.234 nan 8.370 nan 0.000 0.460 592 T N 1.278 115.867 114.554 0.059 0.000 2.708 592 T HA -0.081 4.253 4.350 -0.026 0.000 0.266 592 T C 2.264 176.996 174.700 0.053 0.000 1.037 592 T CA 0.605 62.730 62.100 0.041 0.000 1.146 592 T CB -0.233 68.658 68.868 0.038 0.000 0.865 592 T HN 0.164 nan 8.240 nan 0.000 0.435 593 I N 1.019 121.663 120.570 0.122 0.000 2.163 593 I HA -0.187 3.967 4.170 -0.026 0.000 0.243 593 I C 2.331 178.568 176.117 0.200 0.000 1.085 593 I CA 1.347 62.778 61.300 0.218 0.000 1.347 593 I CB -0.564 37.601 38.000 0.275 0.000 1.044 593 I HN 0.211 nan 8.210 nan 0.000 0.408 594 L N 0.442 121.746 121.223 0.135 0.000 2.042 594 L HA -0.213 4.111 4.340 -0.026 0.000 0.210 594 L C 2.770 179.689 176.870 0.082 0.000 1.076 594 L CA 1.957 56.864 54.840 0.112 0.000 0.749 594 L CB -0.788 41.321 42.059 0.084 0.000 0.893 594 L HN 0.418 nan 8.230 nan 0.000 0.432 595 S N -0.700 115.025 115.700 0.041 0.000 2.439 595 S HA -0.142 4.312 4.470 -0.026 0.000 0.224 595 S C 1.964 176.537 174.600 -0.044 0.000 1.029 595 S CA 0.478 58.683 58.200 0.008 0.000 0.946 595 S CB -0.113 63.089 63.200 0.003 0.000 0.797 595 S HN 0.305 nan 8.310 nan 0.000 0.504 596 K N 0.561 120.890 120.400 -0.117 0.000 2.063 596 K HA -0.125 4.179 4.320 -0.026 0.000 0.208 596 K C 1.101 177.461 176.600 -0.399 0.000 1.048 596 K CA 1.656 57.754 56.287 -0.316 0.000 0.928 596 K CB -0.293 31.906 32.500 -0.502 0.000 0.713 596 K HN 0.602 nan 8.250 nan 0.000 0.442 597 Y N -0.348 119.967 120.300 0.025 0.000 2.458 597 Y HA 0.152 4.687 4.550 -0.025 0.000 0.256 597 Y C 0.217 176.126 175.900 0.014 0.000 1.159 597 Y CA -0.215 57.897 58.100 0.020 0.000 1.261 597 Y CB 0.421 38.894 38.460 0.022 0.000 1.119 597 Y HN 0.196 nan 8.280 nan 0.000 0.524 598 N N 1.595 120.363 118.700 0.113 0.000 2.738 598 N HA -0.209 4.516 4.740 -0.026 0.000 0.249 598 N C -0.795 174.762 175.510 0.078 0.000 1.047 598 N CA 0.859 53.953 53.050 0.074 0.000 0.707 598 N CB -1.440 37.076 38.487 0.048 0.000 0.937 598 N HN 0.645 nan 8.380 nan 0.000 0.545 599 I N -3.373 117.255 120.570 0.098 0.000 2.910 599 I HA 0.901 5.055 4.170 -0.026 0.000 0.310 599 I C 1.062 177.221 176.117 0.071 0.000 1.043 599 I CA -0.829 60.515 61.300 0.073 0.000 1.053 599 I CB 1.958 39.999 38.000 0.067 0.000 1.242 599 I HN 0.024 nan 8.210 nan 0.000 0.452 600 G N 0.752 109.592 108.800 0.067 0.000 2.511 600 G HA2 0.378 4.323 3.960 -0.026 0.000 0.316 600 G HA3 0.378 4.323 3.960 -0.026 0.000 0.316 600 G C 0.707 175.639 174.900 0.053 0.000 1.210 600 G CA -0.071 45.080 45.100 0.085 0.000 0.969 600 G HN 0.893 nan 8.290 nan 0.000 0.492 601 S N -0.810 114.919 115.700 0.047 0.000 2.402 601 S HA -0.043 4.411 4.470 -0.026 0.000 0.229 601 S C 2.363 176.956 174.600 -0.011 0.000 1.021 601 S CA 1.502 59.712 58.200 0.016 0.000 0.974 601 S CB -0.576 62.633 63.200 0.016 0.000 0.800 601 S HN 0.869 nan 8.310 nan 0.000 0.484 602 G N 2.013 110.813 108.800 0.001 0.000 2.422 602 G HA2 -0.162 3.782 3.960 -0.026 0.000 0.218 602 G HA3 -0.162 3.782 3.960 -0.026 0.000 0.218 602 G C 1.165 176.055 174.900 -0.016 0.000 1.146 602 G CA 0.986 46.080 45.100 -0.010 0.000 0.769 602 G HN 0.519 nan 8.290 nan 0.000 0.547 603 D N 0.349 120.749 120.400 -0.000 0.000 2.097 603 D HA -0.111 4.513 4.640 -0.026 0.000 0.195 603 D C 2.412 178.675 176.300 -0.063 0.000 0.989 603 D CA 0.758 54.748 54.000 -0.017 0.000 0.827 603 D CB -0.321 40.479 40.800 0.000 0.000 0.966 603 D HN 0.262 nan 8.370 nan 0.000 0.456 604 L N 1.195 122.371 121.223 -0.078 0.000 2.046 604 L HA -0.122 4.202 4.340 -0.026 0.000 0.208 604 L C 2.293 179.008 176.870 -0.258 0.000 1.077 604 L CA 1.630 56.373 54.840 -0.161 0.000 0.747 604 L CB -0.275 41.706 42.059 -0.131 0.000 0.896 604 L HN -0.176 nan 8.230 nan 0.000 0.432 605 R N -0.655 119.728 120.500 -0.195 0.000 2.092 605 R HA -0.100 4.224 4.340 -0.026 0.000 0.231 605 R C 2.054 178.265 176.300 -0.150 0.000 1.119 605 R CA 1.356 57.337 56.100 -0.200 0.000 0.970 605 R CB -0.349 29.880 30.300 -0.119 0.000 0.864 605 R HN 0.447 nan 8.270 nan 0.000 0.440 606 N N 0.293 118.935 118.700 -0.097 0.000 2.188 606 N HA -0.125 4.599 4.740 -0.026 0.000 0.184 606 N C 1.678 177.155 175.510 -0.055 0.000 1.018 606 N CA 1.268 54.285 53.050 -0.056 0.000 0.858 606 N CB -0.052 38.420 38.487 -0.025 0.000 0.989 606 N HN 0.207 nan 8.380 nan 0.000 0.426 607 M N 0.109 119.654 119.600 -0.092 0.000 2.132 607 M HA -0.103 4.361 4.480 -0.026 0.000 0.263 607 M C 1.897 178.127 176.300 -0.118 0.000 1.065 607 M CA 0.984 56.230 55.300 -0.091 0.000 1.122 607 M CB 0.003 32.529 32.600 -0.124 0.000 1.365 607 M HN -0.087 nan 8.290 nan 0.000 0.411 608 V N 0.342 120.109 119.914 -0.245 0.000 2.287 608 V HA -0.309 3.796 4.120 -0.026 0.000 0.248 608 V C 2.131 178.178 176.094 -0.078 0.000 1.053 608 V CA 2.326 64.456 62.300 -0.284 0.000 1.027 608 V CB -0.791 30.665 31.823 -0.612 0.000 0.646 608 V HN 0.544 nan 8.190 nan 0.000 0.447 609 E N -0.134 120.030 120.200 -0.061 0.000 2.058 609 E HA -0.247 4.087 4.350 -0.026 0.000 0.194 609 E C 2.194 178.864 176.600 0.117 0.000 0.997 609 E CA 2.097 58.504 56.400 0.011 0.000 0.801 609 E CB -0.210 29.476 29.700 -0.023 0.000 0.746 609 E HN 0.623 nan 8.360 nan 0.000 0.450 610 T N 0.725 115.360 114.554 0.135 0.000 2.708 610 T HA -0.133 4.202 4.350 -0.026 0.000 0.266 610 T C 1.708 176.572 174.700 0.272 0.000 1.037 610 T CA 1.436 63.706 62.100 0.283 0.000 1.146 610 T CB -0.063 68.930 68.868 0.209 0.000 0.865 610 T HN 0.181 nan 8.240 nan 0.000 0.435 611 M N 1.282 120.968 119.600 0.142 0.000 2.319 611 M HA 0.024 4.488 4.480 -0.026 0.000 0.265 611 M C 2.030 178.421 176.300 0.152 0.000 1.068 611 M CA 0.907 56.275 55.300 0.113 0.000 1.118 611 M CB -1.105 31.535 32.600 0.067 0.000 1.395 611 M HN 0.196 nan 8.290 nan 0.000 0.435 612 D N -0.211 120.293 120.400 0.172 0.000 2.087 612 D HA -0.239 4.385 4.640 -0.026 0.000 0.192 612 D C 1.842 178.316 176.300 0.290 0.000 0.993 612 D CA 1.485 55.606 54.000 0.202 0.000 0.828 612 D CB -0.357 40.538 40.800 0.158 0.000 0.968 612 D HN 0.413 nan 8.370 nan 0.000 0.448 613 W N 1.263 122.629 121.300 0.110 0.000 2.318 613 W HA -0.174 4.468 4.660 -0.029 0.000 0.313 613 W C 2.188 178.859 176.519 0.254 0.000 1.221 613 W CA 1.713 59.157 57.345 0.166 0.000 1.266 613 W CB -0.790 28.750 29.460 0.134 0.000 1.150 613 W HN 0.085 nan 8.180 nan 0.000 0.496 614 L N 0.226 121.428 121.223 -0.036 0.000 2.056 614 L HA -0.206 4.118 4.340 -0.026 0.000 0.207 614 L C 2.784 179.647 176.870 -0.011 0.000 1.078 614 L CA 2.059 56.771 54.840 -0.214 0.000 0.749 614 L CB -1.560 40.397 42.059 -0.170 0.000 0.901 614 L HN 0.147 nan 8.230 nan 0.000 0.433 615 T N -2.944 111.666 114.554 0.092 0.000 2.777 615 T HA -0.302 4.032 4.350 -0.026 0.000 0.266 615 T C 1.843 176.651 174.700 0.181 0.000 1.040 615 T CA 1.314 63.483 62.100 0.115 0.000 1.141 615 T CB -0.815 68.120 68.868 0.112 0.000 0.868 615 T HN 0.359 nan 8.240 nan 0.000 0.444 616 Y N 2.303 122.689 120.300 0.143 0.000 2.128 616 Y HA -0.148 4.386 4.550 -0.027 0.000 0.284 616 Y C 2.653 178.750 175.900 0.328 0.000 1.154 616 Y CA 1.748 60.001 58.100 0.254 0.000 1.149 616 Y CB -0.528 38.100 38.460 0.281 0.000 0.976 616 Y HN 0.231 nan 8.280 nan 0.000 0.505 617 S N 0.165 116.029 115.700 0.274 0.000 2.387 617 S HA -0.102 4.353 4.470 -0.026 0.000 0.226 617 S C 2.198 176.839 174.600 0.070 0.000 1.026 617 S CA 0.809 59.097 58.200 0.146 0.000 0.972 617 S CB -0.612 62.594 63.200 0.011 0.000 0.814 617 S HN 0.643 nan 8.310 nan 0.000 0.477 618 A N 0.618 123.474 122.820 0.058 0.000 1.930 618 A HA -0.083 4.222 4.320 -0.026 0.000 0.217 618 A C 1.906 179.516 177.584 0.043 0.000 1.175 618 A CA 1.368 53.439 52.037 0.057 0.000 0.627 618 A CB -0.909 18.128 19.000 0.062 0.000 0.815 618 A HN 0.567 nan 8.150 nan 0.000 0.443 619 Y N 0.511 120.749 120.300 -0.103 0.000 2.128 619 Y HA -0.288 4.246 4.550 -0.026 0.000 0.284 619 Y C 2.443 178.192 175.900 -0.251 0.000 1.154 619 Y CA 2.319 60.294 58.100 -0.208 0.000 1.149 619 Y CB -0.569 37.703 38.460 -0.314 0.000 0.976 619 Y HN 0.503 nan 8.280 nan 0.000 0.505 620 H N -0.354 118.516 119.070 -0.334 0.000 2.462 620 H HA -0.037 4.503 4.556 -0.027 0.000 0.292 620 H C 2.379 177.590 175.328 -0.194 0.000 1.049 620 H CA 1.552 57.371 56.048 -0.381 0.000 1.334 620 H CB -0.063 29.525 29.762 -0.289 0.000 1.404 620 H HN 0.396 nan 8.280 nan 0.000 0.544 621 L N -0.461 120.771 121.223 0.014 0.000 2.109 621 L HA -0.115 4.210 4.340 -0.026 0.000 0.207 621 L C 2.723 179.635 176.870 0.070 0.000 1.086 621 L CA 0.583 55.486 54.840 0.105 0.000 0.760 621 L CB -0.328 41.842 42.059 0.185 0.000 0.910 621 L HN 0.126 nan 8.230 nan 0.000 0.437 622 S N -0.363 115.327 115.700 -0.016 0.000 2.387 622 S HA -0.173 4.281 4.470 -0.026 0.000 0.230 622 S C 2.181 176.735 174.600 -0.076 0.000 1.035 622 S CA 1.246 59.428 58.200 -0.029 0.000 1.014 622 S CB -0.049 63.132 63.200 -0.032 0.000 0.836 622 S HN 0.293 nan 8.310 nan 0.000 0.466 623 R N 0.584 120.967 120.500 -0.195 0.000 2.073 623 R HA 0.040 4.364 4.340 -0.026 0.000 0.229 623 R C 2.287 178.548 176.300 -0.065 0.000 1.120 623 R CA 1.328 57.319 56.100 -0.181 0.000 0.967 623 R CB -0.978 29.126 30.300 -0.327 0.000 0.862 623 R HN 0.428 nan 8.270 nan 0.000 0.436 624 E N 1.288 121.479 120.200 -0.015 0.000 2.118 624 E HA -0.111 4.223 4.350 -0.026 0.000 0.195 624 E C 1.702 178.333 176.600 0.052 0.000 0.992 624 E CA 1.085 57.516 56.400 0.051 0.000 0.804 624 E CB -0.224 29.549 29.700 0.121 0.000 0.741 624 E HN 0.250 nan 8.360 nan 0.000 0.458 625 L N 0.408 121.652 121.223 0.034 0.000 2.599 625 L HA 0.122 4.446 4.340 -0.026 0.000 0.230 625 L C 0.278 177.129 176.870 -0.032 0.000 1.141 625 L CA 0.132 54.950 54.840 -0.037 0.000 0.877 625 L CB -0.238 41.769 42.059 -0.087 0.000 1.009 625 L HN 0.014 nan 8.230 nan 0.000 0.447 626 K N 1.315 121.704 120.400 -0.018 0.000 3.419 626 K HA -0.172 4.132 4.320 -0.026 0.000 0.272 626 K C -0.625 175.974 176.600 -0.001 0.000 0.973 626 K CA 0.579 56.856 56.287 -0.016 0.000 0.749 626 K CB -1.640 30.850 32.500 -0.016 0.000 1.403 626 K HN 0.332 nan 8.250 nan 0.000 0.456 627 L N 1.243 122.477 121.223 0.018 0.000 2.433 627 L HA 0.231 4.556 4.340 -0.026 0.000 0.256 627 L C 0.917 177.830 176.870 0.071 0.000 1.063 627 L CA -0.600 54.282 54.840 0.069 0.000 0.922 627 L CB 0.847 42.998 42.059 0.154 0.000 1.238 627 L HN 0.129 nan 8.230 nan 0.000 0.466 628 N N 0.701 119.418 118.700 0.028 0.000 2.353 628 N HA -0.069 4.656 4.740 -0.026 0.000 0.185 628 N C 1.387 176.910 175.510 0.021 0.000 1.098 628 N CA 0.329 53.392 53.050 0.020 0.000 0.872 628 N CB 0.738 39.228 38.487 0.006 0.000 0.970 628 N HN 0.610 nan 8.380 nan 0.000 0.467 629 E N 0.191 120.385 120.200 -0.011 0.000 2.107 629 E HA -0.132 4.202 4.350 -0.026 0.000 0.191 629 E C 1.338 177.921 176.600 -0.028 0.000 0.982 629 E CA 0.859 57.230 56.400 -0.049 0.000 0.809 629 E CB 0.137 29.765 29.700 -0.121 0.000 0.756 629 E HN 0.286 nan 8.360 nan 0.000 0.459 630 H N -0.127 118.983 119.070 0.066 0.000 2.326 630 H HA -0.000 4.541 4.556 -0.025 0.000 0.301 630 H C 2.035 177.353 175.328 -0.016 0.000 1.081 630 H CA 1.437 57.530 56.048 0.075 0.000 1.334 630 H CB -0.340 29.500 29.762 0.131 0.000 1.385 630 H HN 0.315 nan 8.280 nan 0.000 0.504 631 A N 1.184 124.089 122.820 0.142 0.000 1.908 631 A HA -0.181 4.123 4.320 -0.026 0.000 0.218 631 A C 2.059 179.759 177.584 0.193 0.000 1.181 631 A CA 1.955 54.071 52.037 0.131 0.000 0.627 631 A CB -0.299 18.706 19.000 0.008 0.000 0.818 631 A HN 0.290 nan 8.150 nan 0.000 0.445 632 D N -0.240 120.219 120.400 0.099 0.000 2.144 632 D HA -0.099 4.525 4.640 -0.026 0.000 0.199 632 D C 1.906 178.195 176.300 -0.018 0.000 0.984 632 D CA 1.049 55.078 54.000 0.048 0.000 0.834 632 D CB -0.171 40.647 40.800 0.029 0.000 0.955 632 D HN 0.341 nan 8.370 nan 0.000 0.465 633 K N 0.176 120.548 120.400 -0.046 0.000 2.148 633 K HA 0.011 4.316 4.320 -0.026 0.000 0.204 633 K C 2.237 178.692 176.600 -0.241 0.000 1.050 633 K CA 0.311 56.518 56.287 -0.132 0.000 0.942 633 K CB -0.114 32.299 32.500 -0.146 0.000 0.724 633 K HN 0.239 nan 8.250 nan 0.000 0.446 634 L N 0.245 121.328 121.223 -0.232 0.000 2.240 634 L HA -0.038 4.287 4.340 -0.026 0.000 0.211 634 L C 2.692 179.477 176.870 -0.142 0.000 1.106 634 L CA 0.582 55.304 54.840 -0.198 0.000 0.793 634 L CB -0.257 41.748 42.059 -0.091 0.000 0.927 634 L HN 0.126 nan 8.230 nan 0.000 0.446 635 R N 0.902 121.270 120.500 -0.221 0.000 2.073 635 R HA -0.160 4.164 4.340 -0.026 0.000 0.234 635 R C 2.277 178.412 176.300 -0.276 0.000 1.134 635 R CA 1.627 57.405 56.100 -0.536 0.000 0.952 635 R CB -0.222 29.679 30.300 -0.665 0.000 0.850 635 R HN 0.265 nan 8.270 nan 0.000 0.433 636 I N 0.852 121.319 120.570 -0.170 0.000 2.202 636 I HA -0.277 3.877 4.170 -0.026 0.000 0.242 636 I C 2.390 178.462 176.117 -0.075 0.000 1.091 636 I CA 0.664 61.901 61.300 -0.106 0.000 1.368 636 I CB -0.258 37.698 38.000 -0.074 0.000 1.058 636 I HN 0.234 nan 8.210 nan 0.000 0.410 637 L N 1.237 122.414 121.223 -0.076 0.000 2.013 637 L HA -0.298 4.026 4.340 -0.026 0.000 0.212 637 L C 2.284 179.157 176.870 0.004 0.000 1.073 637 L CA 2.068 56.889 54.840 -0.031 0.000 0.753 637 L CB -0.998 41.031 42.059 -0.050 0.000 0.890 637 L HN 0.340 nan 8.230 nan 0.000 0.432 638 N N -0.336 118.357 118.700 -0.012 0.000 2.104 638 N HA -0.229 4.495 4.740 -0.026 0.000 0.190 638 N C 1.922 177.466 175.510 0.056 0.000 1.024 638 N CA 1.969 55.048 53.050 0.050 0.000 0.853 638 N CB -0.153 38.371 38.487 0.061 0.000 1.008 638 N HN 0.506 nan 8.380 nan 0.000 0.424 639 L N 0.491 121.713 121.223 -0.001 0.000 2.141 639 L HA -0.048 4.276 4.340 -0.026 0.000 0.209 639 L C 2.692 179.565 176.870 0.005 0.000 1.094 639 L CA 0.713 55.554 54.840 0.001 0.000 0.763 639 L CB -0.279 41.757 42.059 -0.038 0.000 0.908 639 L HN 0.151 nan 8.230 nan 0.000 0.437 640 R N -0.602 119.896 120.500 -0.004 0.000 2.090 640 R HA -0.069 4.255 4.340 -0.026 0.000 0.228 640 R C 2.250 178.570 176.300 0.033 0.000 1.110 640 R CA 0.912 56.998 56.100 -0.022 0.000 0.973 640 R CB -0.329 29.955 30.300 -0.027 0.000 0.869 640 R HN 0.172 nan 8.270 nan 0.000 0.440 641 V N 1.054 121.048 119.914 0.133 0.000 2.453 641 V HA -0.201 3.903 4.120 -0.026 0.000 0.247 641 V C 2.463 178.800 176.094 0.406 0.000 1.048 641 V CA 1.491 63.974 62.300 0.305 0.000 1.049 641 V CB -0.507 31.454 31.823 0.230 0.000 0.672 641 V HN 0.279 nan 8.190 nan 0.000 0.457 642 R N 0.330 120.971 120.500 0.234 0.000 2.094 642 R HA -0.201 4.123 4.340 -0.026 0.000 0.239 642 R C 1.663 178.130 176.300 0.279 0.000 1.137 642 R CA 2.369 58.596 56.100 0.211 0.000 0.943 642 R CB -0.161 30.212 30.300 0.122 0.000 0.850 642 R HN 0.516 nan 8.270 nan 0.000 0.433 643 D N -2.119 118.384 120.400 0.171 0.000 2.441 643 D HA 0.128 4.752 4.640 -0.026 0.000 0.210 643 D C 0.172 176.318 176.300 -0.256 0.000 1.102 643 D CA 0.805 54.858 54.000 0.088 0.000 0.840 643 D CB 1.150 41.949 40.800 -0.002 0.000 0.990 643 D HN 0.511 nan 8.370 nan 0.000 0.505 644 G N 2.537 111.018 108.800 -0.531 0.000 2.326 644 G HA2 -0.224 3.721 3.960 -0.026 0.000 0.286 644 G HA3 -0.224 3.721 3.960 -0.026 0.000 0.286 644 G C 0.104 174.512 174.900 -0.819 0.000 1.096 644 G CA 0.548 44.697 45.100 -1.585 0.000 1.003 644 G HN 0.450 nan 8.290 nan 0.000 0.503 645 I N -3.870 116.439 120.570 -0.434 0.000 2.969 645 I HA 0.747 4.902 4.170 -0.026 0.000 0.307 645 I C 0.095 176.091 176.117 -0.203 0.000 1.149 645 I CA -1.816 59.312 61.300 -0.286 0.000 1.008 645 I CB 1.584 39.454 38.000 -0.216 0.000 1.232 645 I HN -0.043 nan 8.210 nan 0.000 0.435 646 K N 2.113 122.400 120.400 -0.189 0.000 2.258 646 K HA 0.098 4.403 4.320 -0.026 0.000 0.264 646 K C 0.762 177.270 176.600 -0.153 0.000 1.007 646 K CA -0.233 55.961 56.287 -0.156 0.000 0.941 646 K CB 1.048 33.448 32.500 -0.166 0.000 0.966 646 K HN 0.726 nan 8.250 nan 0.000 0.480 647 E N 2.427 122.559 120.200 -0.114 0.000 2.147 647 E HA -0.286 4.048 4.350 -0.026 0.000 0.199 647 E C 1.317 177.853 176.600 -0.107 0.000 1.005 647 E CA 1.755 58.100 56.400 -0.092 0.000 0.810 647 E CB 0.176 29.839 29.700 -0.062 0.000 0.736 647 E HN 0.645 nan 8.360 nan 0.000 0.460 648 E N 0.165 120.267 120.200 -0.163 0.000 2.273 648 E HA -0.209 4.125 4.350 -0.026 0.000 0.198 648 E C 1.831 178.306 176.600 -0.208 0.000 1.002 648 E CA 0.948 57.225 56.400 -0.205 0.000 0.828 648 E CB -0.274 29.164 29.700 -0.436 0.000 0.747 648 E HN 0.410 nan 8.360 nan 0.000 0.491 649 L N 0.817 121.908 121.223 -0.221 0.000 2.607 649 L HA 0.154 4.479 4.340 -0.026 0.000 0.228 649 L C 2.159 178.991 176.870 -0.063 0.000 1.123 649 L CA -0.202 54.551 54.840 -0.145 0.000 0.890 649 L CB -0.117 41.831 42.059 -0.185 0.000 1.103 649 L HN 0.097 nan 8.230 nan 0.000 0.468 650 L N -0.058 121.132 121.223 -0.055 0.000 2.079 650 L HA -0.226 4.098 4.340 -0.026 0.000 0.210 650 L C 2.427 179.291 176.870 -0.010 0.000 1.081 650 L CA 1.502 56.322 54.840 -0.035 0.000 0.752 650 L CB -0.394 41.644 42.059 -0.035 0.000 0.896 650 L HN 0.388 nan 8.230 nan 0.000 0.433 651 E N 0.534 120.739 120.200 0.008 0.000 2.047 651 E HA -0.175 4.160 4.350 -0.026 0.000 0.191 651 E C 2.430 179.043 176.600 0.021 0.000 0.987 651 E CA 0.755 57.167 56.400 0.019 0.000 0.799 651 E CB 0.035 29.754 29.700 0.033 0.000 0.752 651 E HN 0.408 nan 8.360 nan 0.000 0.449 652 L N 0.607 121.849 121.223 0.032 0.000 2.012 652 L HA -0.191 4.134 4.340 -0.026 0.000 0.210 652 L C 2.658 179.535 176.870 0.012 0.000 1.073 652 L CA 1.352 56.209 54.840 0.030 0.000 0.748 652 L CB -0.700 41.389 42.059 0.050 0.000 0.891 652 L HN 0.235 nan 8.230 nan 0.000 0.431 653 V N -3.419 116.495 119.914 -0.000 0.000 3.241 653 V HA -0.198 3.907 4.120 -0.026 0.000 0.269 653 V C 2.053 178.149 176.094 0.002 0.000 1.151 653 V CA 1.091 63.389 62.300 -0.004 0.000 1.158 653 V CB -0.699 31.113 31.823 -0.018 0.000 0.764 653 V HN 0.498 nan 8.190 nan 0.000 0.508 654 Q N 0.621 120.424 119.800 0.005 0.000 2.124 654 Q HA 0.039 4.363 4.340 -0.026 0.000 0.202 654 Q C 0.730 176.733 176.000 0.004 0.000 0.977 654 Q CA 1.231 57.038 55.803 0.007 0.000 0.850 654 Q CB -0.200 28.544 28.738 0.009 0.000 0.901 654 Q HN 0.681 nan 8.270 nan 0.000 0.429 655 I N 1.407 121.979 120.570 0.004 0.000 2.668 655 I HA -0.086 4.068 4.170 -0.026 0.000 0.285 655 I C 0.565 176.681 176.117 -0.001 0.000 1.168 655 I CA -0.130 61.171 61.300 0.001 0.000 1.424 655 I CB 0.615 38.617 38.000 0.003 0.000 1.377 655 I HN -0.056 nan 8.210 nan 0.000 0.560 656 S N 5.019 120.716 115.700 -0.006 0.000 2.525 656 S HA 0.318 4.772 4.470 -0.026 0.000 0.285 656 S C 1.027 175.624 174.600 -0.006 0.000 1.283 656 S CA 0.589 58.783 58.200 -0.009 0.000 1.072 656 S CB 0.016 63.205 63.200 -0.018 0.000 0.867 656 S HN 1.083 nan 8.310 nan 0.000 0.492 657 G N 2.851 111.649 108.800 -0.002 0.000 2.157 657 G HA2 -0.187 3.758 3.960 -0.026 0.000 0.239 657 G HA3 -0.187 3.758 3.960 -0.026 0.000 0.239 657 G C -0.156 174.747 174.900 0.005 0.000 0.982 657 G CA -0.003 45.097 45.100 0.001 0.000 0.650 657 G HN 1.003 nan 8.290 nan 0.000 0.527 658 V N 0.922 120.839 119.914 0.005 0.000 2.349 658 V HA 0.768 4.873 4.120 -0.026 0.000 0.284 658 V C 0.890 176.986 176.094 0.003 0.000 1.014 658 V CA 0.092 62.395 62.300 0.005 0.000 0.826 658 V CB 1.100 32.926 31.823 0.005 0.000 1.009 658 V HN 0.716 nan 8.190 nan 0.000 0.431 659 G N 3.904 112.705 108.800 0.002 0.000 2.795 659 G HA2 0.433 4.377 3.960 -0.026 0.000 0.267 659 G HA3 0.433 4.377 3.960 -0.026 0.000 0.267 659 G C 0.816 175.691 174.900 -0.041 0.000 1.362 659 G CA -0.481 44.615 45.100 -0.006 0.000 1.048 659 G HN 0.694 nan 8.290 nan 0.000 0.547 660 R N -0.175 120.273 120.500 -0.087 0.000 2.133 660 R HA -0.119 4.205 4.340 -0.026 0.000 0.247 660 R C 2.034 178.281 176.300 -0.088 0.000 1.151 660 R CA 1.661 57.675 56.100 -0.143 0.000 0.971 660 R CB -0.301 29.838 30.300 -0.269 0.000 0.866 660 R HN 0.383 nan 8.270 nan 0.000 0.447 661 K N 0.586 120.957 120.400 -0.048 0.000 2.044 661 K HA 0.004 4.308 4.320 -0.026 0.000 0.204 661 K C 2.324 178.918 176.600 -0.011 0.000 1.049 661 K CA 1.183 57.455 56.287 -0.024 0.000 0.945 661 K CB -0.056 32.442 32.500 -0.004 0.000 0.724 661 K HN 0.118 nan 8.250 nan 0.000 0.440 662 R N 0.578 121.075 120.500 -0.005 0.000 2.115 662 R HA -0.011 4.313 4.340 -0.026 0.000 0.226 662 R C 2.300 178.607 176.300 0.011 0.000 1.100 662 R CA 1.077 57.180 56.100 0.005 0.000 0.980 662 R CB -0.219 30.085 30.300 0.006 0.000 0.875 662 R HN 0.181 nan 8.270 nan 0.000 0.445 663 A N 0.990 123.811 122.820 0.002 0.000 1.898 663 A HA -0.167 4.137 4.320 -0.026 0.000 0.216 663 A C 2.089 179.700 177.584 0.044 0.000 1.181 663 A CA 1.343 53.390 52.037 0.017 0.000 0.620 663 A CB -0.305 18.685 19.000 -0.017 0.000 0.819 663 A HN 0.080 nan 8.150 nan 0.000 0.442 664 R N -0.248 120.256 120.500 0.007 0.000 2.075 664 R HA -0.072 4.252 4.340 -0.026 0.000 0.232 664 R C 1.878 178.217 176.300 0.066 0.000 1.126 664 R CA 1.697 57.810 56.100 0.022 0.000 0.963 664 R CB -1.037 29.248 30.300 -0.025 0.000 0.858 664 R HN 0.435 nan 8.270 nan 0.000 0.435 665 L N 0.055 121.302 121.223 0.040 0.000 2.046 665 L HA -0.058 4.266 4.340 -0.026 0.000 0.208 665 L C 1.965 178.862 176.870 0.045 0.000 1.077 665 L CA 1.731 56.593 54.840 0.036 0.000 0.747 665 L CB -0.447 41.624 42.059 0.020 0.000 0.896 665 L HN 0.281 nan 8.230 nan 0.000 0.432 666 L N -2.006 119.248 121.223 0.052 0.000 2.027 666 L HA -0.239 4.085 4.340 -0.026 0.000 0.206 666 L C 2.507 179.411 176.870 0.057 0.000 1.074 666 L CA 1.621 56.486 54.840 0.043 0.000 0.745 666 L CB -0.836 41.248 42.059 0.042 0.000 0.898 666 L HN 0.299 nan 8.230 nan 0.000 0.433 667 Y N 1.285 121.574 120.300 -0.017 0.000 2.128 667 Y HA -0.306 4.229 4.550 -0.026 0.000 0.284 667 Y C 2.518 178.409 175.900 -0.015 0.000 1.154 667 Y CA 1.865 59.955 58.100 -0.017 0.000 1.149 667 Y CB -0.165 38.282 38.460 -0.022 0.000 0.976 667 Y HN 0.232 nan 8.280 nan 0.000 0.505 668 N N 0.206 119.009 118.700 0.172 0.000 2.289 668 N HA -0.152 4.573 4.740 -0.026 0.000 0.184 668 N C 0.368 175.883 175.510 0.008 0.000 1.016 668 N CA 1.145 54.252 53.050 0.094 0.000 0.872 668 N CB -0.384 38.154 38.487 0.086 0.000 0.973 668 N HN 0.417 nan 8.380 nan 0.000 0.433 669 N N 0.097 118.792 118.700 -0.009 0.000 2.378 669 N HA 0.136 4.860 4.740 -0.026 0.000 0.243 669 N C 0.637 176.110 175.510 -0.062 0.000 1.137 669 N CA 0.292 53.325 53.050 -0.028 0.000 0.862 669 N CB 0.625 39.105 38.487 -0.012 0.000 1.116 669 N HN 0.245 nan 8.380 nan 0.000 0.499 670 G N 0.801 109.530 108.800 -0.118 0.000 2.179 670 G HA2 -0.273 3.671 3.960 -0.026 0.000 0.260 670 G HA3 -0.273 3.671 3.960 -0.026 0.000 0.260 670 G C 0.142 174.945 174.900 -0.162 0.000 0.977 670 G CA -0.229 44.777 45.100 -0.156 0.000 0.641 670 G HN 0.396 nan 8.290 nan 0.000 0.533 671 I N 0.851 121.340 120.570 -0.136 0.000 2.310 671 I HA 0.312 4.467 4.170 -0.026 0.000 0.287 671 I C 1.205 177.257 176.117 -0.108 0.000 1.073 671 I CA -0.413 60.830 61.300 -0.095 0.000 1.216 671 I CB 1.048 39.025 38.000 -0.039 0.000 1.415 671 I HN 0.056 nan 8.210 nan 0.000 0.480 672 K N 3.396 123.702 120.400 -0.157 0.000 2.262 672 K HA 0.230 4.535 4.320 -0.026 0.000 0.200 672 K C 0.385 177.015 176.600 0.049 0.000 1.058 672 K CA 0.346 56.555 56.287 -0.129 0.000 0.974 672 K CB 0.522 32.812 32.500 -0.350 0.000 0.910 672 K HN 0.492 nan 8.250 nan 0.000 0.484 673 E N 0.559 120.762 120.200 0.006 0.000 2.259 673 E HA 0.224 4.558 4.350 -0.026 0.000 0.257 673 E C 0.776 177.385 176.600 0.015 0.000 0.998 673 E CA -0.385 56.029 56.400 0.023 0.000 0.866 673 E CB 1.398 31.104 29.700 0.010 0.000 1.220 673 E HN -0.064 nan 8.360 nan 0.000 0.415 674 L N 0.661 121.894 121.223 0.016 0.000 2.131 674 L HA -0.101 4.224 4.340 -0.026 0.000 0.210 674 L C 2.201 179.073 176.870 0.003 0.000 1.092 674 L CA 1.296 56.142 54.840 0.010 0.000 0.759 674 L CB -0.550 41.516 42.059 0.011 0.000 0.903 674 L HN 0.765 nan 8.230 nan 0.000 0.435 675 G N -0.154 108.647 108.800 0.001 0.000 2.440 675 G HA2 -0.257 3.688 3.960 -0.026 0.000 0.218 675 G HA3 -0.257 3.688 3.960 -0.026 0.000 0.218 675 G C 1.170 176.065 174.900 -0.008 0.000 1.154 675 G CA 0.912 46.011 45.100 -0.003 0.000 0.767 675 G HN 0.321 nan 8.290 nan 0.000 0.552 676 D N 0.290 120.682 120.400 -0.013 0.000 2.144 676 D HA -0.081 4.544 4.640 -0.026 0.000 0.200 676 D C 2.775 179.066 176.300 -0.015 0.000 0.978 676 D CA 0.718 54.706 54.000 -0.021 0.000 0.833 676 D CB -0.341 40.438 40.800 -0.036 0.000 0.961 676 D HN 0.229 nan 8.370 nan 0.000 0.470 677 V N 1.163 121.072 119.914 -0.008 0.000 2.261 677 V HA -0.216 3.889 4.120 -0.026 0.000 0.246 677 V C 2.709 178.799 176.094 -0.005 0.000 1.047 677 V CA 1.239 63.536 62.300 -0.005 0.000 1.015 677 V CB -0.586 31.237 31.823 0.001 0.000 0.642 677 V HN 0.056 nan 8.190 nan 0.000 0.446 678 V N -0.473 119.439 119.914 -0.004 0.000 2.759 678 V HA -0.214 3.890 4.120 -0.026 0.000 0.256 678 V C 2.151 178.241 176.094 -0.006 0.000 1.080 678 V CA 1.874 64.172 62.300 -0.004 0.000 1.101 678 V CB -0.616 31.205 31.823 -0.003 0.000 0.698 678 V HN 0.545 nan 8.190 nan 0.000 0.477 679 M N 0.154 119.750 119.600 -0.008 0.000 2.541 679 M HA 0.106 4.570 4.480 -0.026 0.000 0.252 679 M C 0.372 176.665 176.300 -0.011 0.000 1.125 679 M CA 1.116 56.410 55.300 -0.010 0.000 1.091 679 M CB 0.002 32.594 32.600 -0.012 0.000 1.420 679 M HN 0.365 nan 8.290 nan 0.000 0.486 680 N N 0.717 119.410 118.700 -0.012 0.000 2.642 680 N HA 0.196 4.920 4.740 -0.026 0.000 0.308 680 N C -2.376 173.128 175.510 -0.009 0.000 1.914 680 N CA -0.850 52.193 53.050 -0.012 0.000 0.893 680 N CB 0.969 39.447 38.487 -0.016 0.000 1.322 680 N HN 0.110 nan 8.380 nan 0.000 0.490 681 P HA -0.176 nan 4.420 nan 0.000 0.214 681 P C 1.088 178.384 177.300 -0.006 0.000 1.163 681 P CA 1.612 64.709 63.100 -0.006 0.000 0.889 681 P CB 0.183 31.880 31.700 -0.005 0.000 0.790 682 D N -0.278 120.118 120.400 -0.006 0.000 2.178 682 D HA -0.167 4.458 4.640 -0.026 0.000 0.202 682 D C 1.806 178.103 176.300 -0.006 0.000 0.974 682 D CA 1.197 55.194 54.000 -0.005 0.000 0.841 682 D CB -0.990 39.807 40.800 -0.005 0.000 0.953 682 D HN 0.210 nan 8.370 nan 0.000 0.478 683 K N 0.827 121.223 120.400 -0.007 0.000 2.097 683 K HA -0.075 4.229 4.320 -0.026 0.000 0.205 683 K C 1.982 178.578 176.600 -0.006 0.000 1.050 683 K CA 0.780 57.062 56.287 -0.008 0.000 0.938 683 K CB 0.078 32.571 32.500 -0.011 0.000 0.718 683 K HN 0.002 nan 8.250 nan 0.000 0.442 684 V N 1.808 121.718 119.914 -0.006 0.000 2.358 684 V HA -0.224 3.881 4.120 -0.026 0.000 0.246 684 V C 2.014 178.107 176.094 -0.002 0.000 1.047 684 V CA 1.821 64.119 62.300 -0.003 0.000 1.035 684 V CB -0.367 31.454 31.823 -0.003 0.000 0.658 684 V HN 0.343 nan 8.190 nan 0.000 0.452 685 K N 0.353 120.751 120.400 -0.003 0.000 2.209 685 K HA -0.204 4.101 4.320 -0.026 0.000 0.204 685 K C 1.994 178.593 176.600 -0.002 0.000 1.048 685 K CA 1.690 57.976 56.287 -0.002 0.000 0.940 685 K CB -0.295 32.203 32.500 -0.003 0.000 0.729 685 K HN 0.521 nan 8.250 nan 0.000 0.451 686 N N 1.018 119.716 118.700 -0.003 0.000 2.106 686 N HA -0.106 4.618 4.740 -0.026 0.000 0.188 686 N C 1.573 177.083 175.510 -0.001 0.000 1.029 686 N CA 0.991 54.040 53.050 -0.002 0.000 0.848 686 N CB 0.016 38.501 38.487 -0.003 0.000 1.007 686 N HN 0.042 nan 8.380 nan 0.000 0.423 687 L N -0.290 120.932 121.223 -0.000 0.000 2.131 687 L HA 0.037 4.361 4.340 -0.026 0.000 0.206 687 L C 1.760 178.631 176.870 0.003 0.000 1.087 687 L CA 0.668 55.509 54.840 0.002 0.000 0.767 687 L CB -0.143 41.917 42.059 0.002 0.000 0.917 687 L HN 0.256 nan 8.230 nan 0.000 0.441 688 L N -1.239 119.986 121.223 0.002 0.000 2.556 688 L HA 0.358 4.683 4.340 -0.026 0.000 0.226 688 L C 0.788 177.659 176.870 0.002 0.000 1.089 688 L CA 0.237 55.079 54.840 0.003 0.000 0.864 688 L CB 0.024 42.085 42.059 0.003 0.000 1.067 688 L HN 0.351 nan 8.230 nan 0.000 0.477 689 G N 0.356 109.156 108.800 0.001 0.000 2.570 689 G HA2 -0.164 3.781 3.960 -0.026 0.000 0.686 689 G HA3 -0.164 3.781 3.960 -0.026 0.000 0.686 689 G C 0.340 175.239 174.900 -0.001 0.000 1.257 689 G CA -0.064 45.036 45.100 0.000 0.000 0.846 689 G HN 0.033 nan 8.290 nan 0.000 0.627 690 Q N 0.888 120.687 119.800 -0.001 0.000 1.948 690 Q HA -0.111 4.214 4.340 -0.026 0.000 0.205 690 Q C 2.213 178.212 176.000 -0.002 0.000 0.992 690 Q CA 2.172 57.974 55.803 -0.002 0.000 0.849 690 Q CB -0.625 28.112 28.738 -0.002 0.000 0.918 690 Q HN 0.760 nan 8.270 nan 0.000 0.421 691 K N 0.138 120.537 120.400 -0.002 0.000 2.025 691 K HA -0.068 4.236 4.320 -0.026 0.000 0.207 691 K C 2.314 178.912 176.600 -0.003 0.000 1.049 691 K CA 1.113 57.398 56.287 -0.003 0.000 0.933 691 K CB -0.224 32.274 32.500 -0.003 0.000 0.714 691 K HN 0.108 nan 8.250 nan 0.000 0.438 692 L N 0.715 121.937 121.223 -0.002 0.000 2.027 692 L HA -0.033 4.291 4.340 -0.026 0.000 0.206 692 L C 2.145 179.014 176.870 -0.002 0.000 1.074 692 L CA 1.956 56.795 54.840 -0.002 0.000 0.745 692 L CB -0.998 41.060 42.059 -0.000 0.000 0.898 692 L HN 0.206 nan 8.230 nan 0.000 0.433 693 G N -1.229 107.570 108.800 -0.001 0.000 2.475 693 G HA2 -0.302 3.642 3.960 -0.026 0.000 0.220 693 G HA3 -0.302 3.642 3.960 -0.026 0.000 0.220 693 G C 1.563 176.462 174.900 -0.002 0.000 1.125 693 G CA 0.828 45.927 45.100 -0.001 0.000 0.755 693 G HN 0.475 nan 8.290 nan 0.000 0.565 694 E N 0.365 120.563 120.200 -0.003 0.000 2.170 694 E HA -0.013 4.321 4.350 -0.026 0.000 0.191 694 E C 2.388 178.985 176.600 -0.004 0.000 0.981 694 E CA 0.476 56.874 56.400 -0.004 0.000 0.830 694 E CB -0.066 29.632 29.700 -0.004 0.000 0.775 694 E HN 0.373 nan 8.360 nan 0.000 0.470 695 K N 0.177 120.574 120.400 -0.005 0.000 2.057 695 K HA -0.093 4.211 4.320 -0.026 0.000 0.207 695 K C 2.188 178.785 176.600 -0.005 0.000 1.049 695 K CA 1.104 57.387 56.287 -0.006 0.000 0.931 695 K CB 0.054 32.550 32.500 -0.006 0.000 0.714 695 K HN -0.007 nan 8.250 nan 0.000 0.440 696 V N 0.810 120.722 119.914 -0.003 0.000 2.270 696 V HA -0.215 3.889 4.120 -0.026 0.000 0.245 696 V C 2.249 178.342 176.094 -0.002 0.000 1.043 696 V CA 1.408 63.707 62.300 -0.002 0.000 1.014 696 V CB -0.241 31.582 31.823 0.000 0.000 0.645 696 V HN 0.082 nan 8.190 nan 0.000 0.447 697 V N -0.453 119.460 119.914 -0.002 0.000 2.324 697 V HA -0.371 3.733 4.120 -0.026 0.000 0.250 697 V C 2.469 178.561 176.094 -0.003 0.000 1.060 697 V CA 2.489 64.787 62.300 -0.002 0.000 1.042 697 V CB -0.577 31.244 31.823 -0.003 0.000 0.650 697 V HN 0.572 nan 8.190 nan 0.000 0.450 698 Q N -0.465 119.332 119.800 -0.004 0.000 2.020 698 Q HA -0.204 4.121 4.340 -0.026 0.000 0.202 698 Q C 2.384 178.381 176.000 -0.005 0.000 0.982 698 Q CA 1.863 57.663 55.803 -0.005 0.000 0.838 698 Q CB -0.271 28.463 28.738 -0.006 0.000 0.899 698 Q HN 0.513 nan 8.270 nan 0.000 0.423 699 E N -0.303 119.893 120.200 -0.006 0.000 2.058 699 E HA -0.202 4.132 4.350 -0.026 0.000 0.194 699 E C 1.850 178.449 176.600 -0.003 0.000 0.997 699 E CA 1.207 57.604 56.400 -0.006 0.000 0.801 699 E CB -0.343 29.352 29.700 -0.007 0.000 0.746 699 E HN 0.443 nan 8.360 nan 0.000 0.450 700 A N 1.256 124.075 122.820 -0.001 0.000 1.917 700 A HA -0.196 4.108 4.320 -0.026 0.000 0.219 700 A C 2.420 180.005 177.584 0.002 0.000 1.182 700 A CA 2.466 54.504 52.037 0.002 0.000 0.633 700 A CB -0.666 18.336 19.000 0.002 0.000 0.819 700 A HN 0.312 nan 8.150 nan 0.000 0.448 701 A N -0.630 122.190 122.820 0.000 0.000 1.902 701 A HA -0.167 4.137 4.320 -0.026 0.000 0.217 701 A C 2.277 179.862 177.584 0.001 0.000 1.181 701 A CA 1.683 53.720 52.037 0.000 0.000 0.623 701 A CB -0.507 18.492 19.000 -0.001 0.000 0.818 701 A HN 0.536 nan 8.150 nan 0.000 0.443 702 R N -0.404 120.096 120.500 -0.001 0.000 2.120 702 R HA -0.035 4.289 4.340 -0.026 0.000 0.234 702 R C 1.843 178.145 176.300 0.002 0.000 1.123 702 R CA 1.259 57.358 56.100 -0.001 0.000 0.975 702 R CB -0.324 29.973 30.300 -0.005 0.000 0.866 702 R HN 0.557 nan 8.270 nan 0.000 0.446 703 L N 0.278 121.502 121.223 0.003 0.000 2.072 703 L HA -0.121 4.203 4.340 -0.026 0.000 0.205 703 L C 2.303 179.179 176.870 0.009 0.000 1.079 703 L CA 0.819 55.663 54.840 0.007 0.000 0.752 703 L CB -0.256 41.807 42.059 0.007 0.000 0.906 703 L HN 0.206 nan 8.230 nan 0.000 0.436 704 L N -0.582 120.646 121.223 0.008 0.000 2.275 704 L HA -0.105 4.220 4.340 -0.026 0.000 0.215 704 L C 1.034 177.909 176.870 0.009 0.000 1.119 704 L CA 0.494 55.340 54.840 0.009 0.000 0.790 704 L CB -0.346 41.717 42.059 0.007 0.000 0.919 704 L HN 0.354 nan 8.230 nan 0.000 0.443 705 N N 0.000 118.705 118.700 0.008 0.000 1.763 705 N HA 0.000 4.724 4.740 -0.026 0.000 0.220 705 N CA 0.000 53.055 53.050 0.009 0.000 0.885 705 N CB 0.000 38.491 38.487 0.007 0.000 1.341 705 N HN 0.000 nan 8.380 nan 0.000 0.667