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 1tkt_1_A DATA FIRST_RESID 4 DATA SEQUENCE PIETVPVKLK PGMDGPKVKQ WPLTEEKIKA LVEICTEMEK EGKISKIGPE DATA SEQUENCE NPYNTPVFAI XXXXXXXWRK LVDFRELNKR TQDFWEVQLG IPHPAGLKKK DATA SEQUENCE KSVTVLDVGD AYFSVPLDED FRKYTAFTIP SINNETPGIR YQYNVLPQGW DATA SEQUENCE KGSPAIFQSS MTKILEPFRK QNPDIVIYQY MDDLYVGSDL EIGQHRTKIE DATA SEQUENCE ELRQHLLRWG LTTPDKKHQK EPPFLWMGYE LHPDKWTVQP IVLPEKDSWT DATA SEQUENCE VNDIQKLVGK LNWASQIYPG IKVRQLXKLL RGTKALTEVI PLTEEAELEL DATA SEQUENCE AENREILKEP VHGVYYDPSK DLIAEIQKQG QGQWTYQIYQ EPFKNLKTGK DATA SEQUENCE YARMRGAHTN DVKQLTEAVQ KITTESIVIW GKTPKFKLPI QKETWETWWT DATA SEQUENCE EYWQATWIPE WEFVNTPPLV KLWYQLEKEP IVGAETFYVD XXXXXXXXXX DATA SEQUENCE XAGYVTNRGR QKVVTLTDTT NQKTELQAIY LALQDSGLEV NIVTDSQYAL DATA SEQUENCE GIIQAQPDQS ESELVNQIIE QLIKKEKVYL AWVP 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.551 177.300 0.419 0.000 1.155 4 P CA 0.000 63.281 63.100 0.302 0.000 0.800 4 P CB 0.000 31.807 31.700 0.179 0.000 0.726 5 I N 0.355 121.102 120.570 0.295 0.000 2.440 5 I HA 0.395 4.566 4.170 0.002 0.000 0.294 5 I C 0.844 177.033 176.117 0.121 0.000 0.995 5 I CA -0.568 60.838 61.300 0.178 0.000 1.306 5 I CB 0.572 38.611 38.000 0.065 0.000 1.407 5 I HN 0.435 nan 8.210 nan 0.000 0.501 6 E N 3.442 123.696 120.200 0.090 0.000 2.465 6 E HA 0.006 4.357 4.350 0.002 0.000 0.260 6 E C -0.442 176.187 176.600 0.047 0.000 0.980 6 E CA 0.245 56.685 56.400 0.067 0.000 0.927 6 E CB 0.378 30.106 29.700 0.047 0.000 0.934 6 E HN 0.636 nan 8.360 nan 0.000 0.459 7 T N 3.884 118.468 114.554 0.051 0.000 2.907 7 T HA 0.236 4.587 4.350 0.002 0.000 0.298 7 T C -0.689 174.033 174.700 0.036 0.000 1.017 7 T CA -0.552 61.575 62.100 0.045 0.000 1.118 7 T CB 0.638 69.538 68.868 0.052 0.000 0.948 7 T HN 0.349 nan 8.240 nan 0.000 0.531 8 V N 7.955 127.888 119.914 0.031 0.000 2.370 8 V HA 0.327 4.448 4.120 0.002 0.000 0.279 8 V C -1.812 174.312 176.094 0.049 0.000 1.029 8 V CA -1.835 60.485 62.300 0.035 0.000 0.870 8 V CB 1.341 33.180 31.823 0.025 0.000 0.984 8 V HN 0.760 nan 8.190 nan 0.000 0.451 9 P HA 0.250 nan 4.420 nan 0.000 0.276 9 P C -0.850 176.476 177.300 0.044 0.000 1.235 9 P CA 0.103 63.235 63.100 0.053 0.000 0.772 9 P CB 1.400 33.129 31.700 0.048 0.000 0.871 10 V N 4.149 124.062 119.914 -0.002 0.000 2.960 10 V HA 0.567 4.688 4.120 0.002 0.000 0.315 10 V C 0.275 176.324 176.094 -0.076 0.000 1.087 10 V CA -0.636 61.578 62.300 -0.144 0.000 0.982 10 V CB 2.251 33.744 31.823 -0.549 0.000 1.039 10 V HN 0.509 nan 8.190 nan 0.000 0.437 11 K N 1.821 122.157 120.400 -0.107 0.000 2.536 11 K HA 0.669 4.990 4.320 0.002 0.000 0.269 11 K C -1.567 175.064 176.600 0.052 0.000 0.965 11 K CA -0.862 55.461 56.287 0.059 0.000 0.860 11 K CB 2.600 35.108 32.500 0.014 0.000 1.423 11 K HN 0.418 nan 8.250 nan 0.000 0.438 12 L N 1.603 122.860 121.223 0.057 0.000 2.456 12 L HA 0.343 4.684 4.340 0.002 0.000 0.257 12 L C 0.351 177.195 176.870 -0.044 0.000 1.162 12 L CA -0.659 54.171 54.840 -0.017 0.000 0.808 12 L CB 0.290 42.238 42.059 -0.185 0.000 1.136 12 L HN 0.349 nan 8.230 nan 0.000 0.466 13 K N 2.207 122.577 120.400 -0.049 0.000 2.485 13 K HA 0.076 4.397 4.320 0.002 0.000 0.277 13 K C -2.147 174.434 176.600 -0.033 0.000 0.990 13 K CA -1.287 54.969 56.287 -0.052 0.000 0.994 13 K CB -0.097 32.377 32.500 -0.044 0.000 0.906 13 K HN 0.356 nan 8.250 nan 0.000 0.488 14 P HA -0.143 nan 4.420 nan 0.000 0.261 14 P C 0.276 177.574 177.300 -0.003 0.000 1.165 14 P CA 0.648 63.741 63.100 -0.012 0.000 0.759 14 P CB 0.273 31.965 31.700 -0.013 0.000 0.772 15 G N 2.411 111.216 108.800 0.008 0.000 2.314 15 G HA2 -0.223 3.738 3.960 0.002 0.000 0.292 15 G HA3 -0.223 3.738 3.960 0.002 0.000 0.292 15 G C -0.138 174.773 174.900 0.019 0.000 1.059 15 G CA 0.053 45.163 45.100 0.017 0.000 0.982 15 G HN 0.562 nan 8.290 nan 0.000 0.505 16 M N -0.711 118.898 119.600 0.016 0.000 2.470 16 M HA 0.413 4.894 4.480 0.002 0.000 0.285 16 M C -0.983 175.330 176.300 0.021 0.000 1.213 16 M CA -0.865 54.446 55.300 0.018 0.000 0.901 16 M CB 2.227 34.828 32.600 0.000 0.000 1.718 16 M HN 0.151 nan 8.290 nan 0.000 0.469 17 D N 0.359 120.797 120.400 0.063 0.000 2.384 17 D HA 0.630 5.271 4.640 0.002 0.000 0.250 17 D C 0.024 176.383 176.300 0.099 0.000 1.029 17 D CA 0.136 54.221 54.000 0.141 0.000 0.990 17 D CB 1.684 42.627 40.800 0.239 0.000 1.175 17 D HN 0.692 nan 8.370 nan 0.000 0.532 18 G N 0.508 109.405 108.800 0.161 0.000 2.664 18 G HA2 0.272 4.233 3.960 0.002 0.000 0.242 18 G HA3 0.272 4.233 3.960 0.002 0.000 0.242 18 G C -2.159 172.921 174.900 0.299 0.000 1.225 18 G CA -0.847 44.221 45.100 -0.053 0.000 0.849 18 G HN 0.452 nan 8.290 nan 0.000 0.581 19 P HA 0.174 nan 4.420 nan 0.000 0.267 19 P C -0.697 176.781 177.300 0.296 0.000 1.205 19 P CA -0.006 63.232 63.100 0.230 0.000 0.765 19 P CB 1.142 32.958 31.700 0.194 0.000 0.828 20 K N 2.858 123.380 120.400 0.203 0.000 2.961 20 K HA 0.327 4.648 4.320 0.002 0.000 0.187 20 K C -0.917 175.733 176.600 0.083 0.000 1.110 20 K CA -0.410 55.958 56.287 0.136 0.000 0.968 20 K CB 0.224 32.775 32.500 0.086 0.000 1.287 20 K HN 0.191 nan 8.250 nan 0.000 0.578 21 V N 2.029 121.989 119.914 0.078 0.000 2.472 21 V HA 0.279 4.400 4.120 0.002 0.000 0.290 21 V C 0.063 176.156 176.094 -0.002 0.000 1.037 21 V CA -0.955 61.374 62.300 0.047 0.000 0.908 21 V CB 1.578 33.436 31.823 0.058 0.000 0.985 21 V HN 0.356 nan 8.190 nan 0.000 0.454 22 K N 3.502 123.905 120.400 0.004 0.000 2.368 22 K HA 0.137 4.458 4.320 0.002 0.000 0.282 22 K C -0.074 176.447 176.600 -0.131 0.000 1.035 22 K CA -0.362 55.910 56.287 -0.025 0.000 0.973 22 K CB 0.756 33.272 32.500 0.027 0.000 0.957 22 K HN 0.700 nan 8.250 nan 0.000 0.474 23 Q N 5.782 125.466 119.800 -0.192 0.000 2.286 23 Q HA 0.043 4.384 4.340 0.002 0.000 0.267 23 Q C -0.767 175.101 176.000 -0.221 0.000 1.028 23 Q CA -0.155 55.420 55.803 -0.380 0.000 0.901 23 Q CB 0.365 28.961 28.738 -0.237 0.000 1.183 23 Q HN 0.345 nan 8.270 nan 0.000 0.392 24 W N 4.627 125.904 121.300 -0.039 0.000 2.123 24 W HA 0.209 4.870 4.660 0.002 0.000 0.351 24 W C -2.016 174.493 176.519 -0.017 0.000 1.292 24 W CA -2.119 55.203 57.345 -0.038 0.000 1.263 24 W CB -1.109 28.310 29.460 -0.068 0.000 1.165 24 W HN 0.549 nan 8.180 nan 0.000 0.590 25 P HA 0.164 nan 4.420 nan 0.000 0.270 25 P C -0.467 176.917 177.300 0.141 0.000 1.223 25 P CA 0.135 63.311 63.100 0.127 0.000 0.785 25 P CB 0.505 32.265 31.700 0.100 0.000 0.923 26 L N 1.286 122.559 121.223 0.083 0.000 2.439 26 L HA 0.267 4.608 4.340 0.002 0.000 0.270 26 L C 0.067 176.959 176.870 0.038 0.000 0.972 26 L CA -0.699 54.182 54.840 0.069 0.000 0.836 26 L CB 1.932 44.008 42.059 0.030 0.000 1.255 26 L HN 0.250 nan 8.230 nan 0.000 0.404 27 T N 2.035 116.616 114.554 0.045 0.000 2.849 27 T HA -0.108 4.243 4.350 0.002 0.000 0.289 27 T C 1.312 176.020 174.700 0.014 0.000 1.010 27 T CA 0.560 62.687 62.100 0.044 0.000 1.161 27 T CB 0.476 69.389 68.868 0.076 0.000 0.989 27 T HN 0.731 nan 8.240 nan 0.000 0.523 28 E N 3.035 123.249 120.200 0.023 0.000 2.147 28 E HA -0.288 4.063 4.350 0.002 0.000 0.199 28 E C 1.879 178.482 176.600 0.004 0.000 1.005 28 E CA 1.627 58.034 56.400 0.011 0.000 0.810 28 E CB -0.000 29.713 29.700 0.022 0.000 0.736 28 E HN 0.860 nan 8.360 nan 0.000 0.460 29 E N 0.558 120.780 120.200 0.036 0.000 2.153 29 E HA -0.201 4.150 4.350 0.002 0.000 0.194 29 E C 1.840 178.410 176.600 -0.051 0.000 0.988 29 E CA 0.972 57.415 56.400 0.071 0.000 0.811 29 E CB 0.076 29.884 29.700 0.179 0.000 0.746 29 E HN 0.244 nan 8.360 nan 0.000 0.466 30 K N 0.138 120.447 120.400 -0.151 0.000 2.167 30 K HA 0.010 4.331 4.320 0.002 0.000 0.203 30 K C 2.291 178.712 176.600 -0.297 0.000 1.052 30 K CA 0.611 56.639 56.287 -0.431 0.000 0.956 30 K CB 0.043 32.338 32.500 -0.342 0.000 0.735 30 K HN 0.210 nan 8.250 nan 0.000 0.451 31 I N 1.637 122.122 120.570 -0.141 0.000 2.127 31 I HA -0.340 3.831 4.170 0.002 0.000 0.241 31 I C 2.091 178.155 176.117 -0.090 0.000 1.075 31 I CA 1.524 62.771 61.300 -0.087 0.000 1.334 31 I CB -0.243 37.736 38.000 -0.035 0.000 1.040 31 I HN 0.140 nan 8.210 nan 0.000 0.405 32 K N 0.923 121.280 120.400 -0.072 0.000 2.044 32 K HA -0.221 4.100 4.320 0.002 0.000 0.210 32 K C 2.202 178.764 176.600 -0.062 0.000 1.049 32 K CA 1.834 58.097 56.287 -0.040 0.000 0.927 32 K CB -0.389 32.111 32.500 0.000 0.000 0.713 32 K HN 0.351 nan 8.250 nan 0.000 0.443 33 A N 1.197 123.926 122.820 -0.151 0.000 1.969 33 A HA -0.084 4.237 4.320 0.002 0.000 0.218 33 A C 2.118 179.614 177.584 -0.147 0.000 1.169 33 A CA 1.104 53.044 52.037 -0.161 0.000 0.635 33 A CB -0.500 18.225 19.000 -0.458 0.000 0.810 33 A HN 0.150 nan 8.150 nan 0.000 0.445 34 L N -0.693 120.420 121.223 -0.184 0.000 2.056 34 L HA -0.136 4.205 4.340 0.002 0.000 0.207 34 L C 2.533 179.356 176.870 -0.078 0.000 1.078 34 L CA 0.980 55.738 54.840 -0.136 0.000 0.749 34 L CB -0.641 41.339 42.059 -0.133 0.000 0.901 34 L HN 0.234 nan 8.230 nan 0.000 0.433 35 V N 0.073 119.961 119.914 -0.042 0.000 2.255 35 V HA -0.343 3.778 4.120 0.002 0.000 0.247 35 V C 2.492 178.589 176.094 0.006 0.000 1.051 35 V CA 2.159 64.463 62.300 0.006 0.000 1.018 35 V CB -0.536 31.301 31.823 0.023 0.000 0.641 35 V HN 0.509 nan 8.190 nan 0.000 0.445 36 E N -0.247 119.952 120.200 -0.001 0.000 2.085 36 E HA -0.231 4.120 4.350 0.002 0.000 0.194 36 E C 2.189 178.791 176.600 0.003 0.000 0.994 36 E CA 1.722 58.128 56.400 0.010 0.000 0.801 36 E CB -0.126 29.585 29.700 0.019 0.000 0.743 36 E HN 0.623 nan 8.360 nan 0.000 0.453 37 I N 0.155 120.715 120.570 -0.017 0.000 2.163 37 I HA -0.309 3.862 4.170 0.002 0.000 0.240 37 I C 2.586 178.678 176.117 -0.041 0.000 1.081 37 I CA 0.686 61.972 61.300 -0.023 0.000 1.353 37 I CB -0.256 37.722 38.000 -0.038 0.000 1.054 37 I HN 0.312 nan 8.210 nan 0.000 0.407 38 C N 0.316 119.562 119.300 -0.091 0.000 2.425 38 C HA -0.152 4.309 4.460 0.002 0.000 0.277 38 C C 3.010 177.965 174.990 -0.058 0.000 1.280 38 C CA 1.382 60.288 59.018 -0.187 0.000 1.744 38 C CB -1.120 26.346 27.740 -0.456 0.000 1.989 38 C HN 0.516 nan 8.230 nan 0.000 0.491 39 T N 0.466 115.035 114.554 0.026 0.000 2.746 39 T HA -0.188 4.163 4.350 0.002 0.000 0.267 39 T C 1.711 176.444 174.700 0.055 0.000 1.039 39 T CA 1.943 64.092 62.100 0.081 0.000 1.142 39 T CB -0.287 68.621 68.868 0.067 0.000 0.866 39 T HN 0.641 nan 8.240 nan 0.000 0.444 40 E N 1.584 121.802 120.200 0.031 0.000 2.031 40 E HA -0.100 4.251 4.350 0.002 0.000 0.193 40 E C 2.104 178.726 176.600 0.037 0.000 0.994 40 E CA 1.451 57.868 56.400 0.029 0.000 0.800 40 E CB -0.438 29.273 29.700 0.019 0.000 0.752 40 E HN 0.468 nan 8.360 nan 0.000 0.447 41 M N 0.050 119.668 119.600 0.031 0.000 2.260 41 M HA -0.171 4.310 4.480 0.002 0.000 0.261 41 M C 2.308 178.641 176.300 0.055 0.000 1.066 41 M CA 1.927 57.252 55.300 0.043 0.000 1.082 41 M CB -0.395 32.208 32.600 0.005 0.000 1.388 41 M HN 0.257 nan 8.290 nan 0.000 0.419 42 E N 1.068 121.311 120.200 0.072 0.000 2.190 42 E HA -0.143 4.207 4.350 0.002 0.000 0.191 42 E C 2.020 178.659 176.600 0.064 0.000 0.978 42 E CA 0.581 57.038 56.400 0.095 0.000 0.839 42 E CB 0.151 29.949 29.700 0.163 0.000 0.787 42 E HN 0.443 nan 8.360 nan 0.000 0.473 43 K N 0.748 121.181 120.400 0.055 0.000 2.217 43 K HA -0.122 4.199 4.320 0.002 0.000 0.202 43 K C 1.185 177.809 176.600 0.041 0.000 1.051 43 K CA 1.320 57.632 56.287 0.041 0.000 0.952 43 K CB 0.133 32.653 32.500 0.034 0.000 0.736 43 K HN 0.110 nan 8.250 nan 0.000 0.453 44 E N -0.889 119.340 120.200 0.049 0.000 2.479 44 E HA 0.078 4.429 4.350 0.002 0.000 0.193 44 E C 0.749 177.389 176.600 0.066 0.000 1.049 44 E CA 0.342 56.775 56.400 0.055 0.000 0.870 44 E CB 0.616 30.353 29.700 0.061 0.000 0.944 44 E HN 0.604 nan 8.360 nan 0.000 0.492 45 G N 1.917 110.755 108.800 0.063 0.000 2.217 45 G HA2 -0.380 3.581 3.960 0.002 0.000 0.246 45 G HA3 -0.380 3.581 3.960 0.002 0.000 0.246 45 G C 1.023 175.970 174.900 0.078 0.000 0.990 45 G CA 0.575 45.714 45.100 0.065 0.000 0.627 45 G HN 0.237 nan 8.290 nan 0.000 0.522 46 K N 0.191 120.647 120.400 0.093 0.000 2.103 46 K HA 0.089 4.410 4.320 0.002 0.000 0.207 46 K C 1.509 178.138 176.600 0.048 0.000 1.048 46 K CA 1.608 57.961 56.287 0.111 0.000 0.930 46 K CB -0.126 32.467 32.500 0.155 0.000 0.716 46 K HN 0.837 nan 8.250 nan 0.000 0.444 47 I N -4.124 116.456 120.570 0.017 0.000 3.174 47 I HA 0.416 4.587 4.170 0.002 0.000 0.313 47 I C -1.170 174.990 176.117 0.071 0.000 1.155 47 I CA -1.060 60.241 61.300 0.001 0.000 0.977 47 I CB 2.669 40.642 38.000 -0.045 0.000 1.248 47 I HN -0.347 nan 8.210 nan 0.000 0.453 48 S N 1.746 117.479 115.700 0.056 0.000 2.668 48 S HA 0.367 4.838 4.470 0.002 0.000 0.277 48 S C -0.777 173.744 174.600 -0.131 0.000 1.170 48 S CA -0.878 57.318 58.200 -0.008 0.000 0.994 48 S CB 1.659 64.846 63.200 -0.022 0.000 1.051 48 S HN 0.528 nan 8.310 nan 0.000 0.484 49 K N 2.409 122.635 120.400 -0.290 0.000 2.518 49 K HA 0.199 4.520 4.320 0.002 0.000 0.276 49 K C 0.215 176.630 176.600 -0.308 0.000 0.974 49 K CA 0.459 56.426 56.287 -0.534 0.000 0.986 49 K CB 0.120 32.306 32.500 -0.522 0.000 0.901 49 K HN 0.672 nan 8.250 nan 0.000 0.497 50 I N -2.494 117.891 120.570 -0.308 0.000 3.322 50 I HA 0.641 4.812 4.170 0.002 0.000 0.313 50 I C 0.151 176.162 176.117 -0.178 0.000 1.129 50 I CA -1.149 60.034 61.300 -0.196 0.000 0.963 50 I CB 1.936 39.841 38.000 -0.159 0.000 1.273 50 I HN 0.537 nan 8.210 nan 0.000 0.473 51 G N 0.411 109.133 108.800 -0.130 0.000 2.613 51 G HA2 0.560 4.521 3.960 0.002 0.000 0.303 51 G HA3 0.560 4.521 3.960 0.002 0.000 0.303 51 G C -2.244 172.595 174.900 -0.101 0.000 1.312 51 G CA -1.392 43.642 45.100 -0.112 0.000 1.036 51 G HN 0.529 nan 8.290 nan 0.000 0.513 52 P HA -0.027 nan 4.420 nan 0.000 0.228 52 P C 1.382 178.632 177.300 -0.083 0.000 1.151 52 P CA 0.892 63.942 63.100 -0.082 0.000 0.770 52 P CB 0.355 32.013 31.700 -0.070 0.000 0.786 53 E N 0.674 120.827 120.200 -0.079 0.000 2.049 53 E HA -0.210 4.141 4.350 0.002 0.000 0.198 53 E C 0.952 177.495 176.600 -0.094 0.000 1.007 53 E CA 1.139 57.494 56.400 -0.076 0.000 0.809 53 E CB -0.936 28.724 29.700 -0.065 0.000 0.749 53 E HN 0.038 nan 8.360 nan 0.000 0.450 54 N N 0.830 119.475 118.700 -0.092 0.000 2.399 54 N HA 0.008 4.749 4.740 0.002 0.000 0.259 54 N C -1.806 173.611 175.510 -0.154 0.000 1.160 54 N CA -0.935 52.058 53.050 -0.096 0.000 0.946 54 N CB 1.137 39.602 38.487 -0.037 0.000 1.156 54 N HN 0.194 nan 8.380 nan 0.000 0.489 55 P HA -0.020 nan 4.420 nan 0.000 0.231 55 P C -0.272 176.842 177.300 -0.310 0.000 1.168 55 P CA 0.418 63.312 63.100 -0.343 0.000 0.779 55 P CB 0.155 31.585 31.700 -0.451 0.000 0.844 56 Y N 1.305 121.594 120.300 -0.019 0.000 2.397 56 Y HA 0.346 4.897 4.550 0.002 0.000 0.335 56 Y C 1.057 176.968 175.900 0.019 0.000 1.213 56 Y CA 0.160 58.270 58.100 0.018 0.000 1.391 56 Y CB 0.016 38.495 38.460 0.031 0.000 1.293 56 Y HN -0.048 nan 8.280 nan 0.000 0.557 57 N N -0.490 118.332 118.700 0.204 0.000 2.431 57 N HA 0.425 5.166 4.740 0.002 0.000 0.275 57 N C -1.932 173.640 175.510 0.103 0.000 1.091 57 N CA -0.507 52.618 53.050 0.126 0.000 0.922 57 N CB 1.566 40.081 38.487 0.046 0.000 1.666 57 N HN 0.522 nan 8.380 nan 0.000 0.484 58 T N 3.229 117.833 114.554 0.083 0.000 2.840 58 T HA 0.491 4.842 4.350 0.002 0.000 0.287 58 T C -2.768 171.817 174.700 -0.192 0.000 0.991 58 T CA -0.974 61.105 62.100 -0.034 0.000 0.964 58 T CB 1.822 70.662 68.868 -0.045 0.000 0.954 58 T HN 0.317 nan 8.240 nan 0.000 0.438 59 P HA 0.211 nan 4.420 nan 0.000 0.264 59 P C -0.885 175.981 177.300 -0.724 0.000 1.183 59 P CA -0.143 62.498 63.100 -0.765 0.000 0.763 59 P CB 0.510 31.565 31.700 -1.075 0.000 0.807 60 V N 4.250 123.739 119.914 -0.708 0.000 3.001 60 V HA 0.748 4.869 4.120 0.002 0.000 0.314 60 V C -0.174 175.908 176.094 -0.019 0.000 1.099 60 V CA -0.557 61.573 62.300 -0.284 0.000 0.989 60 V CB 1.662 33.333 31.823 -0.254 0.000 1.040 60 V HN 0.565 nan 8.190 nan 0.000 0.434 61 F N -0.046 119.840 119.950 -0.106 0.000 2.713 61 F HA 0.923 5.451 4.527 0.001 0.000 0.311 61 F C -0.441 175.352 175.800 -0.012 0.000 1.141 61 F CA -1.297 56.742 58.000 0.065 0.000 0.939 61 F CB 1.557 40.822 39.000 0.442 0.000 1.325 61 F HN 0.653 nan 8.300 nan 0.000 0.453 62 A N 2.090 124.864 122.820 -0.077 0.000 2.312 62 A HA 0.848 5.169 4.320 0.002 0.000 0.326 62 A C -1.089 176.485 177.584 -0.017 0.000 1.172 62 A CA -0.523 51.352 52.037 -0.271 0.000 0.821 62 A CB 1.015 19.516 19.000 -0.832 0.000 1.166 62 A HN 0.608 nan 8.150 nan 0.000 0.493 72 R N 2.954 123.634 120.500 0.299 0.000 2.923 72 R HA 0.623 4.964 4.340 0.002 0.000 0.252 72 R C -0.971 175.344 176.300 0.025 0.000 1.130 72 R CA -0.859 55.307 56.100 0.109 0.000 1.043 72 R CB 2.328 32.662 30.300 0.057 0.000 1.205 72 R HN 0.407 nan 8.270 nan 0.000 0.495 73 K N 2.182 122.570 120.400 -0.021 0.000 2.207 73 K HA 0.390 4.711 4.320 0.002 0.000 0.255 73 K C -1.756 174.784 176.600 -0.100 0.000 0.941 73 K CA -0.696 55.539 56.287 -0.085 0.000 0.825 73 K CB 1.249 33.704 32.500 -0.075 0.000 1.119 73 K HN 0.304 nan 8.250 nan 0.000 0.430 74 L N 4.216 125.334 121.223 -0.175 0.000 2.476 74 L HA 0.374 4.715 4.340 0.002 0.000 0.269 74 L C -1.796 175.106 176.870 0.054 0.000 0.965 74 L CA -0.590 54.175 54.840 -0.125 0.000 0.845 74 L CB 1.905 43.731 42.059 -0.390 0.000 1.259 74 L HN 0.342 nan 8.230 nan 0.000 0.403 75 V N 3.248 123.155 119.914 -0.012 0.000 2.398 75 V HA 0.403 4.524 4.120 0.002 0.000 0.286 75 V C -0.483 175.477 176.094 -0.222 0.000 1.026 75 V CA -0.645 61.501 62.300 -0.256 0.000 0.868 75 V CB 1.562 32.982 31.823 -0.672 0.000 0.982 75 V HN 0.741 nan 8.190 nan 0.000 0.443 76 D N 3.065 123.365 120.400 -0.167 0.000 2.374 76 D HA 0.278 4.919 4.640 0.002 0.000 0.240 76 D C 0.174 176.383 176.300 -0.152 0.000 1.229 76 D CA 0.095 54.078 54.000 -0.028 0.000 0.895 76 D CB 0.283 41.137 40.800 0.090 0.000 1.046 76 D HN 0.459 nan 8.370 nan 0.000 0.498 77 F N 2.254 122.294 119.950 0.150 0.000 2.645 77 F HA 0.217 4.745 4.527 0.002 0.000 0.300 77 F C 2.008 177.905 175.800 0.162 0.000 1.115 77 F CA -0.459 57.642 58.000 0.168 0.000 1.355 77 F CB 0.294 39.428 39.000 0.224 0.000 1.026 77 F HN 0.226 nan 8.300 nan 0.000 0.536 78 R N 0.288 120.945 120.500 0.262 0.000 2.094 78 R HA -0.222 4.119 4.340 0.002 0.000 0.239 78 R C 1.916 178.325 176.300 0.180 0.000 1.137 78 R CA 1.818 58.032 56.100 0.189 0.000 0.943 78 R CB -0.393 29.987 30.300 0.133 0.000 0.850 78 R HN 0.175 nan 8.270 nan 0.000 0.433 79 E N 1.039 121.345 120.200 0.176 0.000 2.038 79 E HA -0.187 4.164 4.350 0.002 0.000 0.195 79 E C 1.822 178.535 176.600 0.189 0.000 1.000 79 E CA 0.998 57.491 56.400 0.156 0.000 0.803 79 E CB -0.309 29.475 29.700 0.140 0.000 0.750 79 E HN 0.113 nan 8.360 nan 0.000 0.448 80 L N 1.095 122.483 121.223 0.275 0.000 2.043 80 L HA -0.229 4.112 4.340 0.002 0.000 0.212 80 L C 1.594 178.658 176.870 0.322 0.000 1.075 80 L CA 1.902 56.936 54.840 0.324 0.000 0.752 80 L CB -0.770 41.594 42.059 0.509 0.000 0.891 80 L HN 0.147 nan 8.230 nan 0.000 0.432 81 N N 0.050 118.929 118.700 0.298 0.000 2.120 81 N HA -0.189 4.552 4.740 0.002 0.000 0.188 81 N C 1.735 177.299 175.510 0.090 0.000 1.024 81 N CA 1.501 54.646 53.050 0.158 0.000 0.852 81 N CB -0.250 38.303 38.487 0.110 0.000 1.003 81 N HN 0.466 nan 8.380 nan 0.000 0.424 82 K N 0.449 120.907 120.400 0.096 0.000 2.283 82 K HA 0.039 4.360 4.320 0.002 0.000 0.202 82 K C 1.473 178.101 176.600 0.046 0.000 1.048 82 K CA 0.731 57.052 56.287 0.056 0.000 0.948 82 K CB 0.104 32.640 32.500 0.060 0.000 0.742 82 K HN 0.199 nan 8.250 nan 0.000 0.458 83 R N -0.002 120.542 120.500 0.074 0.000 2.362 83 R HA 0.098 4.439 4.340 0.002 0.000 0.227 83 R C 0.123 176.453 176.300 0.051 0.000 0.905 83 R CA 0.144 56.270 56.100 0.044 0.000 1.067 83 R CB 0.630 30.949 30.300 0.032 0.000 1.078 83 R HN -0.065 nan 8.270 nan 0.000 0.516 84 T N 2.286 116.901 114.554 0.102 0.000 2.882 84 T HA 0.086 4.437 4.350 0.002 0.000 0.287 84 T C 0.042 174.679 174.700 -0.106 0.000 0.992 84 T CA -0.600 61.571 62.100 0.118 0.000 1.076 84 T CB 1.454 70.478 68.868 0.261 0.000 0.961 84 T HN 0.221 nan 8.240 nan 0.000 0.490 85 Q N 2.483 122.138 119.800 -0.243 0.000 2.479 85 Q HA 0.105 4.446 4.340 0.002 0.000 0.267 85 Q C -0.702 174.921 176.000 -0.627 0.000 1.071 85 Q CA -0.195 55.366 55.803 -0.403 0.000 0.935 85 Q CB 0.463 28.922 28.738 -0.466 0.000 1.295 85 Q HN 0.445 nan 8.270 nan 0.000 0.476 86 D N 0.912 121.041 120.400 -0.452 0.000 2.304 86 D HA 0.261 4.902 4.640 0.002 0.000 0.247 86 D C -0.811 175.178 176.300 -0.517 0.000 1.089 86 D CA 0.144 53.925 54.000 -0.366 0.000 0.910 86 D CB 0.531 41.233 40.800 -0.162 0.000 1.199 86 D HN 0.350 nan 8.370 nan 0.000 0.426 87 F N 0.194 120.081 119.950 -0.105 0.000 2.575 87 F HA 0.252 4.780 4.527 0.001 0.000 0.330 87 F C 0.454 176.269 175.800 0.025 0.000 1.056 87 F CA -1.196 56.770 58.000 -0.057 0.000 0.964 87 F CB 1.185 40.100 39.000 -0.141 0.000 1.258 87 F HN 0.285 nan 8.300 nan 0.000 0.484 88 W N 3.987 125.358 121.300 0.120 0.000 2.655 88 W HA 0.091 4.752 4.660 0.001 0.000 0.333 88 W C -0.215 176.327 176.519 0.040 0.000 1.382 88 W CA -0.200 57.170 57.345 0.042 0.000 1.398 88 W CB 0.412 29.885 29.460 0.022 0.000 1.481 88 W HN 0.487 nan 8.180 nan 0.000 0.526 89 E N 2.435 122.367 120.200 -0.446 0.000 2.342 89 E HA -0.007 4.344 4.350 0.002 0.000 0.257 89 E C 1.096 177.433 176.600 -0.439 0.000 1.150 89 E CA -0.176 56.013 56.400 -0.353 0.000 0.926 89 E CB 1.644 31.189 29.700 -0.257 0.000 1.074 89 E HN 0.408 nan 8.360 nan 0.000 0.449 90 V N 1.403 121.173 119.914 -0.240 0.000 3.061 90 V HA -0.244 3.877 4.120 0.002 0.000 0.269 90 V C 1.389 177.386 176.094 -0.162 0.000 1.154 90 V CA 1.256 63.463 62.300 -0.156 0.000 1.168 90 V CB -1.027 30.743 31.823 -0.088 0.000 0.758 90 V HN 0.741 nan 8.190 nan 0.000 0.530 91 Q N 0.026 119.661 119.800 -0.275 0.000 2.350 91 Q HA -0.244 4.097 4.340 0.002 0.000 0.368 91 Q C -0.016 175.926 176.000 -0.096 0.000 1.287 91 Q CA 0.024 55.677 55.803 -0.251 0.000 1.157 91 Q CB -0.998 27.486 28.738 -0.423 0.000 1.372 91 Q HN 0.611 nan 8.270 nan 0.000 0.362 92 L N 0.374 121.576 121.223 -0.035 0.000 2.640 92 L HA -0.067 4.274 4.340 0.002 0.000 0.280 92 L C 0.937 177.838 176.870 0.051 0.000 1.229 92 L CA 1.201 56.075 54.840 0.056 0.000 0.919 92 L CB 0.111 42.230 42.059 0.100 0.000 1.168 92 L HN 0.493 nan 8.230 nan 0.000 0.496 93 G N 5.600 114.452 108.800 0.086 0.000 2.564 93 G HA2 0.474 4.435 3.960 0.002 0.000 0.282 93 G HA3 0.474 4.435 3.960 0.002 0.000 0.282 93 G C -0.588 174.377 174.900 0.108 0.000 1.469 93 G CA -0.543 44.598 45.100 0.069 0.000 1.185 93 G HN 0.629 nan 8.290 nan 0.000 0.585 94 I N 0.457 121.091 120.570 0.106 0.000 3.021 94 I HA 0.759 4.929 4.170 0.002 0.000 0.303 94 I C -2.106 174.051 176.117 0.068 0.000 1.044 94 I CA -1.944 59.435 61.300 0.133 0.000 1.266 94 I CB 0.799 38.862 38.000 0.105 0.000 1.447 94 I HN 0.136 nan 8.210 nan 0.000 0.593 95 P HA 0.289 nan 4.420 nan 0.000 0.278 95 P C -1.327 175.939 177.300 -0.057 0.000 1.266 95 P CA -0.204 62.832 63.100 -0.107 0.000 0.807 95 P CB 0.370 31.867 31.700 -0.338 0.000 1.094 96 H N 0.678 119.587 119.070 -0.269 0.000 2.489 96 H HA 0.233 4.790 4.556 0.002 0.000 0.343 96 H C -1.990 173.019 175.328 -0.532 0.000 1.086 96 H CA -2.163 53.664 56.048 -0.369 0.000 1.198 96 H CB 1.872 31.427 29.762 -0.347 0.000 1.490 96 H HN 0.144 nan 8.280 nan 0.000 0.504 97 P HA -0.199 nan 4.420 nan 0.000 0.218 97 P C 1.094 178.075 177.300 -0.532 0.000 1.152 97 P CA 2.325 64.923 63.100 -0.837 0.000 0.857 97 P CB 0.066 30.823 31.700 -1.572 0.000 0.787 98 A N -0.770 121.796 122.820 -0.423 0.000 2.125 98 A HA -0.047 4.274 4.320 0.002 0.000 0.219 98 A C 2.316 180.095 177.584 0.325 0.000 1.156 98 A CA 1.821 53.916 52.037 0.095 0.000 0.671 98 A CB -1.558 17.642 19.000 0.334 0.000 0.794 98 A HN 0.333 nan 8.150 nan 0.000 0.459 99 G N -0.693 108.104 108.800 -0.004 0.000 2.603 99 G HA2 0.280 4.241 3.960 0.002 0.000 0.214 99 G HA3 0.280 4.241 3.960 0.002 0.000 0.214 99 G C 0.716 175.657 174.900 0.068 0.000 1.140 99 G CA -0.083 44.974 45.100 -0.072 0.000 0.800 99 G HN 0.425 nan 8.290 nan 0.000 0.533 100 L N 0.049 121.254 121.223 -0.030 0.000 2.474 100 L HA 0.344 4.685 4.340 0.002 0.000 0.259 100 L C 0.205 177.061 176.870 -0.024 0.000 1.232 100 L CA -0.071 54.682 54.840 -0.144 0.000 0.821 100 L CB 0.434 42.225 42.059 -0.446 0.000 1.108 100 L HN -0.020 nan 8.230 nan 0.000 0.495 101 K N 0.299 120.619 120.400 -0.133 0.000 2.208 101 K HA 0.367 4.688 4.320 0.002 0.000 0.247 101 K C -0.889 175.597 176.600 -0.189 0.000 0.953 101 K CA -1.065 55.196 56.287 -0.044 0.000 0.837 101 K CB 1.792 34.283 32.500 -0.016 0.000 1.131 101 K HN 0.409 nan 8.250 nan 0.000 0.431 102 K N 1.559 121.960 120.400 0.003 0.000 2.382 102 K HA 0.165 4.486 4.320 0.002 0.000 0.275 102 K C -0.390 176.194 176.600 -0.028 0.000 1.009 102 K CA -0.176 56.138 56.287 0.044 0.000 0.970 102 K CB 0.550 33.190 32.500 0.232 0.000 0.934 102 K HN 0.144 nan 8.250 nan 0.000 0.479 103 K N 2.457 122.833 120.400 -0.039 0.000 2.340 103 K HA 0.252 4.573 4.320 0.002 0.000 0.244 103 K C 0.158 176.740 176.600 -0.029 0.000 0.973 103 K CA -0.872 55.388 56.287 -0.045 0.000 0.828 103 K CB 1.672 34.130 32.500 -0.071 0.000 1.226 103 K HN 0.556 nan 8.250 nan 0.000 0.437 104 K N 0.449 120.812 120.400 -0.061 0.000 2.067 104 K HA 0.064 4.385 4.320 0.002 0.000 0.203 104 K C 0.234 176.753 176.600 -0.134 0.000 1.048 104 K CA 0.858 57.105 56.287 -0.067 0.000 0.954 104 K CB 0.281 32.747 32.500 -0.056 0.000 0.737 104 K HN 0.657 nan 8.250 nan 0.000 0.444 105 S N 0.188 115.709 115.700 -0.298 0.000 2.541 105 S HA 0.518 4.989 4.470 0.002 0.000 0.280 105 S C -0.737 173.597 174.600 -0.444 0.000 1.112 105 S CA -1.010 56.915 58.200 -0.457 0.000 0.925 105 S CB 2.599 65.355 63.200 -0.739 0.000 1.067 105 S HN -0.124 nan 8.310 nan 0.000 0.479 106 V N 2.371 122.237 119.914 -0.079 0.000 2.488 106 V HA 0.634 4.755 4.120 0.002 0.000 0.293 106 V C -0.193 176.141 176.094 0.401 0.000 1.027 106 V CA -0.439 61.983 62.300 0.203 0.000 0.862 106 V CB 1.581 33.575 31.823 0.286 0.000 1.008 106 V HN 1.139 nan 8.190 nan 0.000 0.428 107 T N 1.957 116.768 114.554 0.427 0.000 2.829 107 T HA 0.763 5.114 4.350 0.002 0.000 0.280 107 T C -0.655 174.154 174.700 0.182 0.000 0.999 107 T CA -0.744 61.570 62.100 0.356 0.000 0.983 107 T CB 1.891 70.926 68.868 0.279 0.000 0.968 107 T HN 0.555 nan 8.240 nan 0.000 0.446 108 V N 5.007 124.963 119.914 0.070 0.000 2.547 108 V HA 0.731 4.852 4.120 0.002 0.000 0.299 108 V C -1.081 174.901 176.094 -0.186 0.000 1.040 108 V CA -1.147 60.956 62.300 -0.328 0.000 0.913 108 V CB 0.974 32.291 31.823 -0.843 0.000 0.992 108 V HN 0.939 nan 8.190 nan 0.000 0.449 109 L N 4.747 125.842 121.223 -0.214 0.000 2.362 109 L HA 0.611 4.952 4.340 0.002 0.000 0.275 109 L C -1.122 175.679 176.870 -0.115 0.000 0.998 109 L CA -0.745 54.028 54.840 -0.112 0.000 0.820 109 L CB 1.820 43.835 42.059 -0.074 0.000 1.270 109 L HN 0.531 nan 8.230 nan 0.000 0.415 110 D N 2.099 122.455 120.400 -0.073 0.000 2.380 110 D HA 0.216 4.857 4.640 0.002 0.000 0.230 110 D C -0.207 176.061 176.300 -0.053 0.000 1.154 110 D CA -0.101 53.861 54.000 -0.062 0.000 0.859 110 D CB 1.639 42.410 40.800 -0.048 0.000 1.045 110 D HN 0.095 nan 8.370 nan 0.000 0.495 111 V N 3.165 123.053 119.914 -0.043 0.000 2.409 111 V HA 0.182 4.303 4.120 0.002 0.000 0.270 111 V C 1.369 177.411 176.094 -0.086 0.000 1.019 111 V CA -0.283 61.997 62.300 -0.033 0.000 1.066 111 V CB 0.370 32.212 31.823 0.032 0.000 1.021 111 V HN 0.649 nan 8.190 nan 0.000 0.476 112 G N 5.281 114.035 108.800 -0.075 0.000 2.298 112 G HA2 0.211 4.172 3.960 0.002 0.000 0.263 112 G HA3 0.211 4.172 3.960 0.002 0.000 0.263 112 G C 0.346 175.157 174.900 -0.149 0.000 1.229 112 G CA -0.156 44.874 45.100 -0.117 0.000 0.976 112 G HN 1.088 nan 8.290 nan 0.000 0.459 113 D N 0.902 121.151 120.400 -0.252 0.000 2.982 113 D HA -0.263 4.378 4.640 0.002 0.000 0.207 113 D C 1.145 177.456 176.300 0.018 0.000 1.258 113 D CA 0.681 54.485 54.000 -0.327 0.000 0.758 113 D CB -1.227 39.011 40.800 -0.938 0.000 0.886 113 D HN 0.544 nan 8.370 nan 0.000 0.389 114 A N 1.419 124.188 122.820 -0.085 0.000 1.929 114 A HA -0.132 4.189 4.320 0.002 0.000 0.216 114 A C 1.998 179.671 177.584 0.149 0.000 1.176 114 A CA 1.020 52.999 52.037 -0.096 0.000 0.628 114 A CB -0.639 17.945 19.000 -0.693 0.000 0.816 114 A HN 0.638 nan 8.150 nan 0.000 0.444 115 Y N -1.207 119.052 120.300 -0.068 0.000 2.224 115 Y HA -0.249 4.302 4.550 0.001 0.000 0.289 115 Y C 2.028 177.889 175.900 -0.065 0.000 1.146 115 Y CA 0.926 58.947 58.100 -0.133 0.000 1.182 115 Y CB -0.440 37.808 38.460 -0.353 0.000 0.983 115 Y HN 0.391 nan 8.280 nan 0.000 0.524 116 F N -0.415 119.628 119.950 0.156 0.000 2.604 116 F HA -0.111 4.417 4.527 0.001 0.000 0.298 116 F C 2.026 177.896 175.800 0.117 0.000 1.131 116 F CA 0.607 58.689 58.000 0.137 0.000 1.457 116 F CB -0.246 38.809 39.000 0.092 0.000 1.095 116 F HN -0.034 nan 8.300 nan 0.000 0.574 117 S N -1.208 114.684 115.700 0.321 0.000 2.557 117 S HA 0.284 4.755 4.470 0.002 0.000 0.223 117 S C 0.070 174.795 174.600 0.208 0.000 0.969 117 S CA -0.310 58.030 58.200 0.233 0.000 0.927 117 S CB -0.247 63.076 63.200 0.205 0.000 0.806 117 S HN -0.030 nan 8.310 nan 0.000 0.489 118 V N 4.569 124.598 119.914 0.191 0.000 2.376 118 V HA 0.428 4.549 4.120 0.002 0.000 0.287 118 V C -2.387 173.770 176.094 0.106 0.000 1.015 118 V CA -2.258 60.133 62.300 0.152 0.000 0.834 118 V CB 1.458 33.380 31.823 0.163 0.000 1.001 118 V HN 0.191 nan 8.190 nan 0.000 0.428 119 P HA -0.052 nan 4.420 nan 0.000 0.268 119 P C -0.797 176.535 177.300 0.054 0.000 1.189 119 P CA 0.003 63.154 63.100 0.084 0.000 0.771 119 P CB 1.007 32.760 31.700 0.087 0.000 0.822 120 L N 1.852 123.102 121.223 0.046 0.000 2.362 120 L HA 0.399 4.740 4.340 0.002 0.000 0.275 120 L C -0.374 176.523 176.870 0.046 0.000 0.998 120 L CA -0.959 53.890 54.840 0.015 0.000 0.820 120 L CB 1.002 43.045 42.059 -0.026 0.000 1.270 120 L HN 0.214 nan 8.230 nan 0.000 0.415 121 D N 3.432 123.864 120.400 0.052 0.000 2.819 121 D HA -0.131 4.510 4.640 0.002 0.000 0.236 121 D C 1.178 177.549 176.300 0.118 0.000 1.181 121 D CA 0.776 54.827 54.000 0.086 0.000 0.855 121 D CB 0.716 41.571 40.800 0.091 0.000 1.146 121 D HN 0.661 nan 8.370 nan 0.000 0.540 122 E N 3.322 123.574 120.200 0.086 0.000 2.072 122 E HA -0.303 4.048 4.350 0.002 0.000 0.218 122 E C 0.935 177.584 176.600 0.080 0.000 1.051 122 E CA 1.898 58.339 56.400 0.069 0.000 0.880 122 E CB -0.093 29.638 29.700 0.052 0.000 0.783 122 E HN 0.674 nan 8.360 nan 0.000 0.473 123 D N -0.827 119.635 120.400 0.102 0.000 2.322 123 D HA -0.189 4.452 4.640 0.002 0.000 0.210 123 D C 1.664 178.074 176.300 0.183 0.000 0.983 123 D CA 0.723 54.792 54.000 0.116 0.000 0.902 123 D CB -0.375 40.513 40.800 0.147 0.000 0.905 123 D HN 0.207 nan 8.370 nan 0.000 0.483 124 F N 0.984 120.962 119.950 0.046 0.000 2.383 124 F HA 0.120 4.648 4.527 0.002 0.000 0.287 124 F C 2.136 177.933 175.800 -0.005 0.000 1.069 124 F CA 0.144 58.211 58.000 0.112 0.000 1.402 124 F CB 0.073 39.103 39.000 0.050 0.000 1.116 124 F HN -0.280 nan 8.300 nan 0.000 0.549 125 R N 1.014 121.531 120.500 0.028 0.000 2.196 125 R HA -0.312 4.029 4.340 0.002 0.000 0.259 125 R C 2.183 178.394 176.300 -0.148 0.000 1.154 125 R CA 2.418 58.492 56.100 -0.044 0.000 0.976 125 R CB -0.892 29.414 30.300 0.010 0.000 0.888 125 R HN 0.411 nan 8.270 nan 0.000 0.453 126 K N -0.186 120.050 120.400 -0.273 0.000 2.152 126 K HA -0.194 4.127 4.320 0.002 0.000 0.206 126 K C 1.360 177.691 176.600 -0.449 0.000 1.048 126 K CA 1.772 57.853 56.287 -0.343 0.000 0.933 126 K CB -0.326 31.919 32.500 -0.424 0.000 0.721 126 K HN 0.237 nan 8.250 nan 0.000 0.447 127 Y N 2.432 122.435 120.300 -0.496 0.000 2.516 127 Y HA -0.053 4.498 4.550 0.002 0.000 0.291 127 Y C 2.210 177.943 175.900 -0.278 0.000 1.131 127 Y CA 1.273 58.993 58.100 -0.632 0.000 1.281 127 Y CB -0.323 37.519 38.460 -1.031 0.000 1.013 127 Y HN 0.312 nan 8.280 nan 0.000 0.554 128 T N -1.952 112.567 114.554 -0.060 0.000 3.317 128 T HA 0.439 4.790 4.350 0.002 0.000 0.250 128 T C 0.749 175.712 174.700 0.438 0.000 1.106 128 T CA -0.009 62.223 62.100 0.220 0.000 0.986 128 T CB -0.761 68.201 68.868 0.156 0.000 1.010 128 T HN 0.199 nan 8.240 nan 0.000 0.560 129 A N 1.683 124.652 122.820 0.248 0.000 2.477 129 A HA 0.594 4.915 4.320 0.002 0.000 0.246 129 A C -0.062 177.696 177.584 0.290 0.000 1.078 129 A CA -0.657 51.492 52.037 0.187 0.000 0.770 129 A CB -0.297 18.757 19.000 0.091 0.000 1.011 129 A HN 0.758 nan 8.150 nan 0.000 0.494 130 F N -0.638 119.367 119.950 0.092 0.000 2.692 130 F HA 0.874 5.402 4.527 0.002 0.000 0.320 130 F C -0.353 175.471 175.800 0.041 0.000 1.123 130 F CA -0.841 57.172 58.000 0.022 0.000 0.961 130 F CB 1.440 40.426 39.000 -0.023 0.000 1.383 130 F HN 0.380 nan 8.300 nan 0.000 0.483 131 T N 2.611 117.286 114.554 0.201 0.000 2.916 131 T HA 0.532 4.883 4.350 0.002 0.000 0.298 131 T C -1.155 173.625 174.700 0.133 0.000 1.031 131 T CA -0.434 61.721 62.100 0.090 0.000 0.993 131 T CB 1.801 70.674 68.868 0.009 0.000 1.045 131 T HN 0.510 nan 8.240 nan 0.000 0.454 132 I N 4.983 125.636 120.570 0.140 0.000 2.306 132 I HA 0.303 4.474 4.170 0.002 0.000 0.288 132 I C -1.988 174.157 176.117 0.047 0.000 1.036 132 I CA -3.273 58.087 61.300 0.099 0.000 1.221 132 I CB 0.644 38.724 38.000 0.134 0.000 1.385 132 I HN 0.345 nan 8.210 nan 0.000 0.472 133 P HA 0.035 nan 4.420 nan 0.000 0.267 133 P C -0.081 177.223 177.300 0.007 0.000 1.200 133 P CA -0.020 63.083 63.100 0.004 0.000 0.772 133 P CB 0.600 32.299 31.700 -0.002 0.000 0.855 134 S N 1.573 117.274 115.700 0.002 0.000 2.601 134 S HA 0.194 4.665 4.470 0.002 0.000 0.271 134 S C 1.487 176.089 174.600 0.003 0.000 1.305 134 S CA -0.611 57.590 58.200 0.002 0.000 1.022 134 S CB 0.095 63.293 63.200 -0.004 0.000 0.940 134 S HN 0.335 nan 8.310 nan 0.000 0.525 135 I N 0.472 121.044 120.570 0.004 0.000 2.286 135 I HA 0.019 4.190 4.170 0.002 0.000 0.245 135 I C 0.658 176.779 176.117 0.006 0.000 1.104 135 I CA 0.336 61.640 61.300 0.006 0.000 1.397 135 I CB -1.511 36.493 38.000 0.007 0.000 1.072 135 I HN 0.803 nan 8.210 nan 0.000 0.417 136 N N 0.742 119.444 118.700 0.004 0.000 2.430 136 N HA 0.243 4.984 4.740 0.002 0.000 0.292 136 N C 0.335 175.846 175.510 0.001 0.000 1.051 136 N CA -0.683 52.369 53.050 0.004 0.000 0.917 136 N CB 0.431 38.920 38.487 0.003 0.000 1.164 136 N HN -0.010 nan 8.380 nan 0.000 0.484 137 N N 2.064 120.766 118.700 0.003 0.000 2.106 137 N HA -0.331 4.410 4.740 0.002 0.000 0.200 137 N C 0.730 176.239 175.510 -0.002 0.000 1.014 137 N CA 2.380 55.431 53.050 0.002 0.000 0.891 137 N CB -0.361 38.127 38.487 0.003 0.000 1.069 137 N HN 0.815 nan 8.380 nan 0.000 0.490 138 E N 0.557 120.755 120.200 -0.003 0.000 2.347 138 E HA -0.049 4.302 4.350 0.002 0.000 0.196 138 E C 0.729 177.323 176.600 -0.009 0.000 1.008 138 E CA 0.640 57.036 56.400 -0.006 0.000 0.852 138 E CB -0.258 29.438 29.700 -0.006 0.000 0.783 138 E HN 0.441 nan 8.360 nan 0.000 0.505 139 T N -0.034 114.514 114.554 -0.009 0.000 2.875 139 T HA 0.447 4.798 4.350 0.002 0.000 0.284 139 T C -2.694 171.997 174.700 -0.015 0.000 0.995 139 T CA -2.415 59.677 62.100 -0.013 0.000 1.060 139 T CB 1.863 70.724 68.868 -0.011 0.000 0.967 139 T HN -0.253 nan 8.240 nan 0.000 0.476 140 P HA 0.492 nan 4.420 nan 0.000 0.282 140 P C 0.063 177.346 177.300 -0.027 0.000 1.259 140 P CA -0.354 62.730 63.100 -0.027 0.000 0.826 140 P CB 0.809 32.488 31.700 -0.036 0.000 1.064 141 G N 1.474 110.259 108.800 -0.025 0.000 2.425 141 G HA2 0.539 4.500 3.960 0.002 0.000 0.302 141 G HA3 0.539 4.500 3.960 0.002 0.000 0.302 141 G C -0.052 174.828 174.900 -0.034 0.000 1.159 141 G CA -0.928 44.163 45.100 -0.016 0.000 0.865 141 G HN 0.583 nan 8.290 nan 0.000 0.515 142 I N -0.152 120.406 120.570 -0.020 0.000 2.598 142 I HA 0.341 4.512 4.170 0.002 0.000 0.284 142 I C 0.060 176.115 176.117 -0.103 0.000 1.140 142 I CA -0.543 60.699 61.300 -0.097 0.000 1.420 142 I CB 0.403 38.357 38.000 -0.076 0.000 1.387 142 I HN 0.046 nan 8.210 nan 0.000 0.553 143 R N 5.219 125.555 120.500 -0.273 0.000 2.428 143 R HA 0.578 4.919 4.340 0.002 0.000 0.294 143 R C -1.265 174.726 176.300 -0.516 0.000 1.000 143 R CA -0.635 55.301 56.100 -0.274 0.000 0.960 143 R CB 1.574 31.743 30.300 -0.217 0.000 1.076 143 R HN 0.641 nan 8.270 nan 0.000 0.475 144 Y N -0.404 119.470 120.300 -0.710 0.000 2.644 144 Y HA 0.300 4.852 4.550 0.002 0.000 0.338 144 Y C 0.061 175.540 175.900 -0.701 0.000 1.119 144 Y CA -0.945 56.673 58.100 -0.804 0.000 1.060 144 Y CB 1.854 39.612 38.460 -1.169 0.000 1.294 144 Y HN 0.484 nan 8.280 nan 0.000 0.472 145 Q N -0.709 118.989 119.800 -0.169 0.000 2.511 145 Q HA 0.568 4.909 4.340 0.002 0.000 0.289 145 Q C -2.184 173.874 176.000 0.098 0.000 1.021 145 Q CA -1.120 54.709 55.803 0.043 0.000 0.785 145 Q CB 2.256 30.999 28.738 0.008 0.000 1.472 145 Q HN 0.629 nan 8.270 nan 0.000 0.411 146 Y N 0.687 121.066 120.300 0.132 0.000 2.335 146 Y HA 0.337 4.888 4.550 0.002 0.000 0.323 146 Y C 0.798 176.717 175.900 0.030 0.000 1.224 146 Y CA -0.118 58.039 58.100 0.095 0.000 1.241 146 Y CB 1.216 39.697 38.460 0.035 0.000 1.235 146 Y HN 0.719 nan 8.280 nan 0.000 0.492 147 N N 0.172 118.997 118.700 0.208 0.000 2.210 147 N HA 0.093 4.834 4.740 0.002 0.000 0.203 147 N C -0.566 175.019 175.510 0.125 0.000 1.175 147 N CA 0.433 53.559 53.050 0.126 0.000 0.894 147 N CB 1.098 39.641 38.487 0.094 0.000 1.041 147 N HN 0.375 nan 8.380 nan 0.000 0.506 148 V N -2.206 117.814 119.914 0.177 0.000 3.164 148 V HA 0.531 4.652 4.120 0.002 0.000 0.313 148 V C 0.097 176.191 176.094 0.000 0.000 1.188 148 V CA -1.120 61.248 62.300 0.114 0.000 1.058 148 V CB 1.446 33.364 31.823 0.158 0.000 1.110 148 V HN -0.146 nan 8.190 nan 0.000 0.453 149 L N 2.122 123.306 121.223 -0.065 0.000 2.615 149 L HA 0.254 4.595 4.340 0.002 0.000 0.271 149 L C -2.246 174.415 176.870 -0.349 0.000 1.183 149 L CA -0.874 53.845 54.840 -0.202 0.000 0.933 149 L CB 0.180 42.121 42.059 -0.197 0.000 1.199 149 L HN 0.497 nan 8.230 nan 0.000 0.487 150 P HA 0.073 nan 4.420 nan 0.000 0.276 150 P C -0.491 176.608 177.300 -0.335 0.000 1.253 150 P CA -0.515 62.069 63.100 -0.861 0.000 0.766 150 P CB 0.730 31.559 31.700 -1.451 0.000 0.845 151 Q N 3.167 122.846 119.800 -0.203 0.000 2.286 151 Q HA 0.261 4.602 4.340 0.002 0.000 0.290 151 Q C 1.376 177.493 176.000 0.194 0.000 1.049 151 Q CA 1.940 57.789 55.803 0.077 0.000 0.923 151 Q CB -0.703 28.048 28.738 0.023 0.000 1.183 151 Q HN 0.783 nan 8.270 nan 0.000 0.383 152 G N 2.782 111.723 108.800 0.235 0.000 2.175 152 G HA2 -0.290 3.671 3.960 0.002 0.000 0.244 152 G HA3 -0.290 3.671 3.960 0.002 0.000 0.244 152 G C -0.436 174.607 174.900 0.239 0.000 0.982 152 G CA 0.009 45.264 45.100 0.257 0.000 0.641 152 G HN 0.662 nan 8.290 nan 0.000 0.527 153 W N 1.742 122.935 121.300 -0.177 0.000 2.313 153 W HA 0.643 5.304 4.660 0.002 0.000 0.328 153 W C 1.364 177.764 176.519 -0.199 0.000 1.197 153 W CA -0.395 56.740 57.345 -0.350 0.000 1.235 153 W CB 0.832 29.872 29.460 -0.700 0.000 1.158 153 W HN 0.053 nan 8.180 nan 0.000 0.578 154 K N 2.222 122.038 120.400 -0.972 0.000 2.034 154 K HA -0.210 4.111 4.320 0.002 0.000 0.214 154 K C 1.830 177.840 176.600 -0.984 0.000 1.051 154 K CA 2.327 58.121 56.287 -0.822 0.000 0.931 154 K CB -0.724 31.395 32.500 -0.635 0.000 0.715 154 K HN 0.775 nan 8.250 nan 0.000 0.446 155 G N -0.683 106.963 108.800 -1.922 0.000 2.551 155 G HA2 -0.110 3.851 3.960 0.002 0.000 0.216 155 G HA3 -0.110 3.851 3.960 0.002 0.000 0.216 155 G C 1.330 175.595 174.900 -1.059 0.000 1.137 155 G CA 0.502 44.439 45.100 -1.937 0.000 0.798 155 G HN 0.279 nan 8.290 nan 0.000 0.536 156 S N 1.880 117.181 115.700 -0.665 0.000 2.408 156 S HA -0.179 4.292 4.470 0.002 0.000 0.241 156 S C 0.100 174.228 174.600 -0.786 0.000 1.080 156 S CA 2.063 59.847 58.200 -0.693 0.000 1.109 156 S CB -0.896 61.757 63.200 -0.911 0.000 0.966 156 S HN 0.369 nan 8.310 nan 0.000 0.449 157 P HA 0.006 nan 4.420 nan 0.000 0.212 157 P C 1.671 178.877 177.300 -0.157 0.000 1.180 157 P CA 1.514 64.526 63.100 -0.146 0.000 0.906 157 P CB -0.246 31.414 31.700 -0.066 0.000 0.782 158 A N -0.408 122.240 122.820 -0.287 0.000 1.884 158 A HA -0.242 4.079 4.320 0.002 0.000 0.219 158 A C 2.287 179.720 177.584 -0.251 0.000 1.197 158 A CA 2.087 53.970 52.037 -0.256 0.000 0.637 158 A CB -1.896 16.918 19.000 -0.310 0.000 0.827 158 A HN 0.121 nan 8.150 nan 0.000 0.450 159 I N -1.870 118.489 120.570 -0.353 0.000 2.315 159 I HA -0.194 3.977 4.170 0.002 0.000 0.248 159 I C 2.366 178.397 176.117 -0.142 0.000 1.117 159 I CA 1.527 62.681 61.300 -0.243 0.000 1.404 159 I CB -0.293 37.551 38.000 -0.259 0.000 1.071 159 I HN 0.559 nan 8.210 nan 0.000 0.419 160 F N 1.684 121.488 119.950 -0.243 0.000 2.113 160 F HA -0.280 4.248 4.527 0.001 0.000 0.297 160 F C 2.720 178.476 175.800 -0.073 0.000 1.103 160 F CA 1.848 59.776 58.000 -0.120 0.000 1.248 160 F CB -0.323 38.656 39.000 -0.034 0.000 0.999 160 F HN 0.001 nan 8.300 nan 0.000 0.475 161 Q N 0.476 119.876 119.800 -0.666 0.000 2.061 161 Q HA -0.249 4.092 4.340 0.002 0.000 0.204 161 Q C 2.399 178.130 176.000 -0.448 0.000 0.984 161 Q CA 2.428 57.816 55.803 -0.692 0.000 0.846 161 Q CB -0.599 27.946 28.738 -0.322 0.000 0.902 161 Q HN 0.507 nan 8.270 nan 0.000 0.421 162 S N -0.211 115.324 115.700 -0.275 0.000 2.368 162 S HA -0.254 4.216 4.470 0.002 0.000 0.226 162 S C 2.021 176.493 174.600 -0.213 0.000 1.044 162 S CA 2.016 60.108 58.200 -0.180 0.000 1.062 162 S CB -0.680 62.451 63.200 -0.114 0.000 0.931 162 S HN 0.606 nan 8.310 nan 0.000 0.440 163 S N 1.485 117.044 115.700 -0.234 0.000 2.365 163 S HA -0.201 4.270 4.470 0.002 0.000 0.221 163 S C 1.862 176.282 174.600 -0.300 0.000 1.037 163 S CA 1.877 59.941 58.200 -0.225 0.000 1.060 163 S CB -0.726 62.379 63.200 -0.158 0.000 0.974 163 S HN 0.576 nan 8.310 nan 0.000 0.427 164 M N 1.911 121.272 119.600 -0.398 0.000 2.147 164 M HA -0.195 4.286 4.480 0.002 0.000 0.253 164 M C 2.010 178.127 176.300 -0.305 0.000 1.075 164 M CA 1.983 57.046 55.300 -0.396 0.000 1.085 164 M CB -1.634 30.610 32.600 -0.593 0.000 1.305 164 M HN 0.326 nan 8.290 nan 0.000 0.409 165 T N 0.183 114.576 114.554 -0.269 0.000 2.720 165 T HA -0.174 4.177 4.350 0.002 0.000 0.268 165 T C 1.846 176.452 174.700 -0.156 0.000 1.037 165 T CA 1.802 63.793 62.100 -0.182 0.000 1.144 165 T CB -0.223 68.560 68.868 -0.141 0.000 0.864 165 T HN 0.462 nan 8.240 nan 0.000 0.444 166 K N 0.480 120.775 120.400 -0.175 0.000 2.097 166 K HA 0.094 4.415 4.320 0.002 0.000 0.205 166 K C 2.182 178.662 176.600 -0.201 0.000 1.050 166 K CA 0.957 57.154 56.287 -0.151 0.000 0.938 166 K CB -0.229 32.181 32.500 -0.150 0.000 0.718 166 K HN 0.351 nan 8.250 nan 0.000 0.442 167 I N 1.082 121.450 120.570 -0.336 0.000 2.614 167 I HA -0.212 3.959 4.170 0.002 0.000 0.258 167 I C 1.659 177.616 176.117 -0.267 0.000 1.189 167 I CA 0.764 61.778 61.300 -0.476 0.000 1.462 167 I CB -0.068 37.533 38.000 -0.666 0.000 1.092 167 I HN 0.150 nan 8.210 nan 0.000 0.442 168 L N -0.012 121.089 121.223 -0.204 0.000 2.477 168 L HA 0.053 4.394 4.340 0.002 0.000 0.220 168 L C 2.147 179.006 176.870 -0.020 0.000 1.106 168 L CA 0.810 55.566 54.840 -0.140 0.000 0.851 168 L CB -0.795 41.189 42.059 -0.126 0.000 0.994 168 L HN 0.279 nan 8.230 nan 0.000 0.462 169 E N 1.019 121.209 120.200 -0.016 0.000 2.035 169 E HA -0.223 4.128 4.350 0.002 0.000 0.204 169 E C -0.594 176.056 176.600 0.084 0.000 1.025 169 E CA 1.780 58.197 56.400 0.028 0.000 0.835 169 E CB -1.087 28.624 29.700 0.018 0.000 0.764 169 E HN 0.371 nan 8.360 nan 0.000 0.457 170 P HA -0.252 nan 4.420 nan 0.000 0.209 170 P C 1.498 178.934 177.300 0.226 0.000 1.167 170 P CA 1.517 64.739 63.100 0.203 0.000 0.941 170 P CB -0.445 31.450 31.700 0.325 0.000 0.787 171 F N 0.530 120.546 119.950 0.110 0.000 2.225 171 F HA -0.216 4.312 4.527 0.001 0.000 0.302 171 F C 2.638 178.444 175.800 0.009 0.000 1.068 171 F CA 1.525 59.553 58.000 0.047 0.000 1.327 171 F CB -0.361 38.533 39.000 -0.176 0.000 1.043 171 F HN -0.214 nan 8.300 nan 0.000 0.506 172 R N 0.529 121.132 120.500 0.173 0.000 2.062 172 R HA -0.116 4.225 4.340 0.002 0.000 0.226 172 R C 2.294 178.596 176.300 0.004 0.000 1.125 172 R CA 1.655 57.804 56.100 0.082 0.000 0.966 172 R CB -0.183 30.167 30.300 0.083 0.000 0.861 172 R HN 0.387 nan 8.270 nan 0.000 0.433 173 K N -0.264 120.148 120.400 0.020 0.000 2.366 173 K HA -0.050 4.271 4.320 0.002 0.000 0.198 173 K C 1.836 178.423 176.600 -0.022 0.000 1.044 173 K CA 0.680 56.970 56.287 0.005 0.000 0.973 173 K CB 0.131 32.645 32.500 0.024 0.000 0.767 173 K HN -0.005 nan 8.250 nan 0.000 0.475 174 Q N 1.437 121.212 119.800 -0.043 0.000 2.311 174 Q HA 0.036 4.377 4.340 0.002 0.000 0.203 174 Q C -0.070 175.833 176.000 -0.163 0.000 0.954 174 Q CA 0.795 56.552 55.803 -0.077 0.000 0.885 174 Q CB 0.323 29.027 28.738 -0.055 0.000 0.963 174 Q HN 0.363 nan 8.270 nan 0.000 0.471 175 N N 1.017 119.578 118.700 -0.233 0.000 2.757 175 N HA 0.150 4.891 4.740 0.002 0.000 0.296 175 N C -2.149 173.284 175.510 -0.128 0.000 1.874 175 N CA -1.062 51.838 53.050 -0.249 0.000 0.885 175 N CB 1.366 39.554 38.487 -0.499 0.000 1.242 175 N HN 0.128 nan 8.380 nan 0.000 0.488 176 P HA -0.186 nan 4.420 nan 0.000 0.216 176 P C 0.513 177.801 177.300 -0.021 0.000 1.154 176 P CA 1.457 64.537 63.100 -0.033 0.000 0.865 176 P CB 0.065 31.751 31.700 -0.024 0.000 0.789 177 D N -0.280 120.104 120.400 -0.027 0.000 2.488 177 D HA 0.002 4.643 4.640 0.002 0.000 0.260 177 D C 0.361 176.669 176.300 0.013 0.000 1.273 177 D CA 0.363 54.359 54.000 -0.006 0.000 0.912 177 D CB -0.473 40.324 40.800 -0.006 0.000 0.982 177 D HN 0.149 nan 8.370 nan 0.000 0.492 178 I N 0.469 121.047 120.570 0.013 0.000 2.752 178 I HA 0.221 4.392 4.170 0.002 0.000 0.295 178 I C -0.442 175.713 176.117 0.064 0.000 1.219 178 I CA -1.311 60.021 61.300 0.054 0.000 1.030 178 I CB 2.058 40.087 38.000 0.048 0.000 1.259 178 I HN -0.140 nan 8.210 nan 0.000 0.423 179 V N 3.238 123.205 119.914 0.088 0.000 2.656 179 V HA 0.730 4.851 4.120 0.002 0.000 0.307 179 V C -0.569 175.597 176.094 0.120 0.000 1.051 179 V CA -0.620 61.730 62.300 0.084 0.000 0.893 179 V CB 2.269 34.123 31.823 0.052 0.000 0.999 179 V HN 0.523 nan 8.190 nan 0.000 0.426 180 I N 4.614 125.257 120.570 0.122 0.000 2.465 180 I HA 0.507 4.678 4.170 0.002 0.000 0.291 180 I C -1.287 174.921 176.117 0.151 0.000 1.014 180 I CA -0.672 60.709 61.300 0.136 0.000 1.093 180 I CB 2.126 40.187 38.000 0.101 0.000 1.267 180 I HN 0.843 nan 8.210 nan 0.000 0.431 181 Y N 6.013 126.347 120.300 0.056 0.000 2.328 181 Y HA 0.413 4.964 4.550 0.002 0.000 0.336 181 Y C -0.389 175.583 175.900 0.121 0.000 0.960 181 Y CA -0.484 57.629 58.100 0.023 0.000 1.134 181 Y CB 1.301 39.693 38.460 -0.114 0.000 1.166 181 Y HN 0.559 nan 8.280 nan 0.000 0.464 182 Q N 5.610 125.073 119.800 -0.563 0.000 2.235 182 Q HA 0.280 4.621 4.340 0.002 0.000 0.250 182 Q C -2.062 173.626 176.000 -0.521 0.000 0.909 182 Q CA -0.774 54.804 55.803 -0.376 0.000 0.910 182 Q CB 1.196 29.784 28.738 -0.250 0.000 1.223 182 Q HN 0.884 nan 8.270 nan 0.000 0.432 183 Y N 6.458 126.603 120.300 -0.259 0.000 2.301 183 Y HA 0.127 4.678 4.550 0.002 0.000 0.334 183 Y C -0.150 175.820 175.900 0.117 0.000 1.158 183 Y CA -0.579 57.485 58.100 -0.060 0.000 1.266 183 Y CB 0.443 38.986 38.460 0.138 0.000 1.153 183 Y HN 0.907 nan 8.280 nan 0.000 0.453 184 M N 1.261 120.736 119.600 -0.209 0.000 7.319 184 M HA -0.414 4.067 4.480 0.002 0.000 0.293 184 M C 0.138 176.508 176.300 0.118 0.000 0.480 184 M CA 2.506 57.735 55.300 -0.117 0.000 1.311 184 M CB -1.406 30.986 32.600 -0.346 0.000 0.421 184 M HN 0.703 nan 8.290 nan 0.000 0.551 185 D N 0.443 120.854 120.400 0.017 0.000 2.327 185 D HA 0.097 4.738 4.640 0.002 0.000 0.205 185 D C -0.007 176.317 176.300 0.039 0.000 0.989 185 D CA 0.468 54.477 54.000 0.015 0.000 0.873 185 D CB 0.182 40.931 40.800 -0.085 0.000 0.955 185 D HN 0.322 nan 8.370 nan 0.000 0.515 186 D N 0.536 120.974 120.400 0.064 0.000 2.362 186 D HA 0.293 4.934 4.640 0.002 0.000 0.242 186 D C -0.502 175.792 176.300 -0.009 0.000 1.132 186 D CA -0.023 53.968 54.000 -0.016 0.000 0.907 186 D CB 1.557 42.402 40.800 0.075 0.000 1.195 186 D HN -0.078 nan 8.370 nan 0.000 0.429 187 L N 2.392 123.490 121.223 -0.208 0.000 2.476 187 L HA 0.295 4.636 4.340 0.002 0.000 0.269 187 L C -1.774 174.961 176.870 -0.225 0.000 0.965 187 L CA -0.625 54.163 54.840 -0.088 0.000 0.845 187 L CB 1.332 43.349 42.059 -0.069 0.000 1.259 187 L HN 0.216 nan 8.230 nan 0.000 0.403 188 Y N 3.916 124.203 120.300 -0.022 0.000 2.352 188 Y HA 0.707 5.258 4.550 0.002 0.000 0.339 188 Y C -0.205 175.724 175.900 0.048 0.000 0.992 188 Y CA -0.958 57.130 58.100 -0.020 0.000 1.100 188 Y CB 1.970 40.381 38.460 -0.083 0.000 1.192 188 Y HN 0.250 nan 8.280 nan 0.000 0.458 189 V N 2.549 122.591 119.914 0.213 0.000 2.448 189 V HA 0.904 5.025 4.120 0.002 0.000 0.295 189 V C 0.154 176.430 176.094 0.304 0.000 1.025 189 V CA -0.777 61.660 62.300 0.228 0.000 0.859 189 V CB 1.437 33.372 31.823 0.187 0.000 0.988 189 V HN 0.928 nan 8.190 nan 0.000 0.431 190 G N 2.395 111.334 108.800 0.233 0.000 2.563 190 G HA2 0.849 4.810 3.960 0.002 0.000 0.302 190 G HA3 0.849 4.810 3.960 0.002 0.000 0.302 190 G C -0.762 174.222 174.900 0.139 0.000 1.301 190 G CA -0.178 45.020 45.100 0.164 0.000 0.965 190 G HN 1.125 nan 8.290 nan 0.000 0.480 191 S N -0.721 115.007 115.700 0.047 0.000 2.611 191 S HA 0.515 4.986 4.470 0.002 0.000 0.268 191 S C -1.439 173.146 174.600 -0.025 0.000 1.156 191 S CA -0.819 57.418 58.200 0.061 0.000 0.817 191 S CB 2.235 65.557 63.200 0.203 0.000 1.122 191 S HN 0.329 nan 8.310 nan 0.000 0.466 192 D N 1.008 121.410 120.400 0.004 0.000 2.755 192 D HA 0.370 5.011 4.640 0.002 0.000 0.257 192 D C -0.186 176.122 176.300 0.015 0.000 1.291 192 D CA -0.007 53.989 54.000 -0.007 0.000 0.836 192 D CB 0.190 40.988 40.800 -0.002 0.000 1.059 192 D HN 0.400 nan 8.370 nan 0.000 0.486 193 L N 0.536 121.785 121.223 0.042 0.000 2.416 193 L HA 0.222 4.563 4.340 0.002 0.000 0.262 193 L C 0.969 177.884 176.870 0.075 0.000 1.093 193 L CA -0.839 54.046 54.840 0.075 0.000 0.801 193 L CB 0.937 43.078 42.059 0.137 0.000 1.191 193 L HN -0.224 nan 8.230 nan 0.000 0.459 194 E N 1.089 121.331 120.200 0.070 0.000 2.414 194 E HA -0.020 4.331 4.350 0.002 0.000 0.263 194 E C 1.003 177.661 176.600 0.097 0.000 1.000 194 E CA 0.015 56.453 56.400 0.063 0.000 0.914 194 E CB 0.589 30.317 29.700 0.047 0.000 0.948 194 E HN 0.326 nan 8.360 nan 0.000 0.444 195 I N 2.590 123.206 120.570 0.077 0.000 2.181 195 I HA -0.385 3.786 4.170 0.002 0.000 0.240 195 I C 2.135 178.327 176.117 0.125 0.000 1.006 195 I CA 2.535 63.893 61.300 0.096 0.000 1.284 195 I CB -1.179 36.855 38.000 0.057 0.000 0.990 195 I HN 0.689 nan 8.210 nan 0.000 0.408 196 G N -1.187 107.662 108.800 0.082 0.000 2.404 196 G HA2 -0.269 3.692 3.960 0.002 0.000 0.214 196 G HA3 -0.269 3.692 3.960 0.002 0.000 0.214 196 G C 1.530 176.470 174.900 0.068 0.000 1.189 196 G CA 0.833 45.972 45.100 0.065 0.000 0.789 196 G HN 0.412 nan 8.290 nan 0.000 0.533 197 Q N 0.182 120.025 119.800 0.071 0.000 2.197 197 Q HA -0.178 4.163 4.340 0.002 0.000 0.207 197 Q C 2.028 178.080 176.000 0.088 0.000 0.984 197 Q CA 2.236 58.078 55.803 0.066 0.000 0.869 197 Q CB -0.536 28.238 28.738 0.060 0.000 0.906 197 Q HN 0.756 nan 8.270 nan 0.000 0.426 198 H N -0.386 118.707 119.070 0.038 0.000 2.276 198 H HA 0.108 4.666 4.556 0.002 0.000 0.307 198 H C 1.886 177.250 175.328 0.060 0.000 1.061 198 H CA 1.836 57.913 56.048 0.049 0.000 1.336 198 H CB -0.249 29.542 29.762 0.048 0.000 1.396 198 H HN 0.164 nan 8.280 nan 0.000 0.503 199 R N 0.107 120.573 120.500 -0.056 0.000 2.276 199 R HA -0.145 4.196 4.340 0.002 0.000 0.243 199 R C 1.247 177.503 176.300 -0.073 0.000 1.161 199 R CA 1.679 57.728 56.100 -0.085 0.000 1.007 199 R CB -0.282 30.040 30.300 0.036 0.000 0.867 199 R HN 0.504 nan 8.270 nan 0.000 0.472 200 T N 0.831 115.361 114.554 -0.041 0.000 2.623 200 T HA -0.052 4.298 4.350 0.002 0.000 0.254 200 T C 1.632 176.334 174.700 0.003 0.000 1.075 200 T CA 0.745 62.843 62.100 -0.004 0.000 1.177 200 T CB -0.105 68.773 68.868 0.017 0.000 0.869 200 T HN 0.131 nan 8.240 nan 0.000 0.403 201 K N 1.222 121.623 120.400 0.001 0.000 2.107 201 K HA -0.111 4.210 4.320 0.002 0.000 0.211 201 K C 2.222 178.891 176.600 0.115 0.000 1.049 201 K CA 1.060 57.390 56.287 0.071 0.000 0.927 201 K CB -0.962 31.562 32.500 0.041 0.000 0.714 201 K HN 0.307 nan 8.250 nan 0.000 0.452 202 I N 1.811 122.354 120.570 -0.044 0.000 2.113 202 I HA -0.271 3.900 4.170 0.002 0.000 0.242 202 I C 2.027 178.148 176.117 0.007 0.000 1.064 202 I CA 1.580 62.853 61.300 -0.045 0.000 1.320 202 I CB -1.081 36.838 38.000 -0.135 0.000 1.028 202 I HN 0.257 nan 8.210 nan 0.000 0.406 203 E N 0.230 120.437 120.200 0.012 0.000 2.268 203 E HA -0.211 4.140 4.350 0.002 0.000 0.195 203 E C 1.997 178.635 176.600 0.063 0.000 0.995 203 E CA 0.557 56.973 56.400 0.028 0.000 0.836 203 E CB -0.120 29.594 29.700 0.024 0.000 0.763 203 E HN 0.595 nan 8.360 nan 0.000 0.491 204 E N 0.824 121.095 120.200 0.119 0.000 2.072 204 E HA -0.107 4.244 4.350 0.002 0.000 0.191 204 E C 2.197 178.922 176.600 0.208 0.000 0.985 204 E CA 0.329 56.857 56.400 0.213 0.000 0.801 204 E CB 0.069 29.949 29.700 0.300 0.000 0.750 204 E HN 0.152 nan 8.360 nan 0.000 0.452 205 L N 0.682 121.945 121.223 0.067 0.000 1.961 205 L HA -0.209 4.132 4.340 0.002 0.000 0.210 205 L C 2.649 179.386 176.870 -0.220 0.000 1.072 205 L CA 1.487 56.037 54.840 -0.484 0.000 0.749 205 L CB -0.306 41.473 42.059 -0.467 0.000 0.889 205 L HN 0.158 nan 8.230 nan 0.000 0.432 206 R N -0.773 119.668 120.500 -0.098 0.000 2.198 206 R HA -0.297 4.044 4.340 0.002 0.000 0.258 206 R C 2.213 178.521 176.300 0.013 0.000 1.173 206 R CA 1.925 58.004 56.100 -0.036 0.000 0.991 206 R CB -0.288 30.006 30.300 -0.010 0.000 0.879 206 R HN 0.422 nan 8.270 nan 0.000 0.460 207 Q N -0.475 119.347 119.800 0.038 0.000 2.016 207 Q HA -0.159 4.182 4.340 0.002 0.000 0.200 207 Q C 1.804 177.873 176.000 0.114 0.000 0.978 207 Q CA 1.857 57.700 55.803 0.068 0.000 0.833 207 Q CB -0.382 28.403 28.738 0.077 0.000 0.895 207 Q HN 0.551 nan 8.270 nan 0.000 0.427 208 H N -0.894 118.179 119.070 0.005 0.000 2.422 208 H HA -0.087 4.471 4.556 0.002 0.000 0.298 208 H C 1.665 177.090 175.328 0.161 0.000 1.098 208 H CA 1.245 57.331 56.048 0.062 0.000 1.315 208 H CB 0.126 29.880 29.762 -0.013 0.000 1.382 208 H HN 0.190 nan 8.280 nan 0.000 0.523 209 L N -0.165 121.196 121.223 0.230 0.000 2.044 209 L HA -0.138 4.203 4.340 0.002 0.000 0.205 209 L C 2.509 179.518 176.870 0.233 0.000 1.075 209 L CA 0.620 55.581 54.840 0.202 0.000 0.747 209 L CB -0.373 41.708 42.059 0.036 0.000 0.903 209 L HN 0.313 nan 8.230 nan 0.000 0.435 210 L N -0.280 121.027 121.223 0.139 0.000 2.081 210 L HA -0.250 4.090 4.340 0.002 0.000 0.212 210 L C 2.887 179.818 176.870 0.102 0.000 1.080 210 L CA 1.301 56.201 54.840 0.100 0.000 0.754 210 L CB -0.454 41.639 42.059 0.056 0.000 0.893 210 L HN 0.231 nan 8.230 nan 0.000 0.433 211 R N -0.943 119.610 120.500 0.089 0.000 2.133 211 R HA -0.225 4.116 4.340 0.002 0.000 0.247 211 R C 1.425 177.659 176.300 -0.110 0.000 1.151 211 R CA 2.025 58.082 56.100 -0.072 0.000 0.971 211 R CB -0.285 29.892 30.300 -0.205 0.000 0.866 211 R HN 0.422 nan 8.270 nan 0.000 0.447 212 W N -0.956 120.377 121.300 0.055 0.000 3.239 212 W HA 0.330 4.991 4.660 0.002 0.000 0.368 212 W C 0.912 177.467 176.519 0.061 0.000 1.154 212 W CA 0.362 57.743 57.345 0.061 0.000 1.860 212 W CB 0.452 29.962 29.460 0.083 0.000 1.094 212 W HN 0.205 nan 8.180 nan 0.000 0.643 213 G N 0.804 109.740 108.800 0.225 0.000 2.132 213 G HA2 -0.292 3.669 3.960 0.002 0.000 0.234 213 G HA3 -0.292 3.669 3.960 0.002 0.000 0.234 213 G C -0.224 174.760 174.900 0.139 0.000 0.989 213 G CA -0.513 44.678 45.100 0.151 0.000 0.676 213 G HN 0.184 nan 8.290 nan 0.000 0.522 214 L N 2.426 123.742 121.223 0.155 0.000 2.259 214 L HA 0.459 4.800 4.340 0.002 0.000 0.288 214 L C 1.207 178.115 176.870 0.064 0.000 1.051 214 L CA -0.114 54.792 54.840 0.111 0.000 0.824 214 L CB 1.222 43.356 42.059 0.125 0.000 1.206 214 L HN 0.366 nan 8.230 nan 0.000 0.429 215 T N -0.261 114.313 114.554 0.033 0.000 2.832 215 T HA 0.459 4.810 4.350 0.002 0.000 0.296 215 T C 0.204 174.901 174.700 -0.006 0.000 0.968 215 T CA -0.661 61.444 62.100 0.009 0.000 1.107 215 T CB 0.943 69.806 68.868 -0.009 0.000 0.916 215 T HN 0.564 nan 8.240 nan 0.000 0.517 216 T N 1.886 116.437 114.554 -0.004 0.000 2.924 216 T HA 0.682 5.033 4.350 0.002 0.000 0.291 216 T C -2.750 171.947 174.700 -0.004 0.000 1.045 216 T CA -1.914 60.178 62.100 -0.012 0.000 1.015 216 T CB 1.351 70.209 68.868 -0.016 0.000 1.103 216 T HN 0.597 nan 8.240 nan 0.000 0.496 217 P HA 0.156 nan 4.420 nan 0.000 0.270 217 P C -0.664 176.666 177.300 0.050 0.000 1.223 217 P CA -0.183 62.933 63.100 0.028 0.000 0.785 217 P CB 0.577 32.300 31.700 0.038 0.000 0.923 218 D N 0.941 121.396 120.400 0.092 0.000 2.313 218 D HA 0.016 4.657 4.640 0.002 0.000 0.247 218 D C 1.184 177.525 176.300 0.069 0.000 1.094 218 D CA -0.259 53.793 54.000 0.086 0.000 0.925 218 D CB 1.229 42.106 40.800 0.128 0.000 1.188 218 D HN 0.203 nan 8.370 nan 0.000 0.430 219 K N 2.285 122.705 120.400 0.034 0.000 2.152 219 K HA -0.187 4.134 4.320 0.002 0.000 0.206 219 K C 1.344 177.933 176.600 -0.019 0.000 1.048 219 K CA 1.596 57.893 56.287 0.018 0.000 0.933 219 K CB 0.041 32.549 32.500 0.013 0.000 0.721 219 K HN 0.113 nan 8.250 nan 0.000 0.447 220 K N -0.723 119.643 120.400 -0.057 0.000 2.209 220 K HA -0.086 4.235 4.320 0.002 0.000 0.204 220 K C 1.142 177.518 176.600 -0.373 0.000 1.048 220 K CA 1.586 57.753 56.287 -0.201 0.000 0.940 220 K CB -0.166 32.196 32.500 -0.229 0.000 0.729 220 K HN 0.459 nan 8.250 nan 0.000 0.451 221 H N -1.115 117.964 119.070 0.015 0.000 2.755 221 H HA 0.227 4.784 4.556 0.002 0.000 0.273 221 H C -0.034 175.306 175.328 0.021 0.000 1.055 221 H CA -0.392 55.665 56.048 0.015 0.000 1.191 221 H CB 0.562 30.329 29.762 0.007 0.000 1.536 221 H HN 0.101 nan 8.280 nan 0.000 0.529 222 Q N 0.868 120.726 119.800 0.096 0.000 2.697 222 Q HA 0.188 4.529 4.340 0.002 0.000 0.196 222 Q C -0.280 175.779 176.000 0.098 0.000 1.121 222 Q CA 0.213 56.065 55.803 0.082 0.000 1.151 222 Q CB 0.817 29.596 28.738 0.067 0.000 1.250 222 Q HN 0.210 nan 8.270 nan 0.000 0.658 223 K N 0.814 121.291 120.400 0.129 0.000 2.270 223 K HA 0.349 4.670 4.320 0.002 0.000 0.255 223 K C -0.894 175.865 176.600 0.265 0.000 0.936 223 K CA -0.548 55.860 56.287 0.202 0.000 0.809 223 K CB 1.520 34.183 32.500 0.270 0.000 1.131 223 K HN 0.347 nan 8.250 nan 0.000 0.427 224 E N 1.922 122.178 120.200 0.093 0.000 2.299 224 E HA 0.398 4.749 4.350 0.002 0.000 0.265 224 E C -2.492 173.763 176.600 -0.574 0.000 0.911 224 E CA -2.269 54.058 56.400 -0.122 0.000 0.789 224 E CB 1.486 31.145 29.700 -0.068 0.000 1.246 224 E HN 0.304 nan 8.360 nan 0.000 0.427 225 P HA 0.060 nan 4.420 nan 0.000 0.270 225 P C -2.346 174.635 177.300 -0.532 0.000 1.221 225 P CA -0.529 61.948 63.100 -1.038 0.000 0.788 225 P CB -0.416 30.887 31.700 -0.662 0.000 0.904 226 P HA 0.178 nan 4.420 nan 0.000 0.272 226 P C -1.005 176.112 177.300 -0.304 0.000 1.240 226 P CA 0.206 62.961 63.100 -0.574 0.000 0.791 226 P CB 0.240 31.619 31.700 -0.535 0.000 0.978 227 F N 0.775 120.743 119.950 0.030 0.000 2.325 227 F HA 0.320 4.848 4.527 0.001 0.000 0.369 227 F C 0.127 176.070 175.800 0.240 0.000 1.095 227 F CA -0.571 57.511 58.000 0.137 0.000 1.082 227 F CB 0.237 39.305 39.000 0.113 0.000 1.289 227 F HN 0.023 nan 8.300 nan 0.000 0.462 228 L N 3.937 125.427 121.223 0.445 0.000 2.401 228 L HA 0.150 4.491 4.340 0.002 0.000 0.283 228 L C -0.864 176.292 176.870 0.478 0.000 1.151 228 L CA -0.083 54.996 54.840 0.399 0.000 0.942 228 L CB -0.041 42.184 42.059 0.277 0.000 1.283 228 L HN 0.676 nan 8.230 nan 0.000 0.442 229 W N 6.320 127.771 121.300 0.252 0.000 2.957 229 W HA 0.464 5.125 4.660 0.001 0.000 0.336 229 W C -0.350 176.297 176.519 0.214 0.000 1.087 229 W CA -1.039 56.421 57.345 0.192 0.000 1.235 229 W CB 1.144 30.676 29.460 0.121 0.000 1.399 229 W HN 0.206 nan 8.180 nan 0.000 0.480 230 M N 6.004 125.391 119.600 -0.355 0.000 2.460 230 M HA -0.202 4.279 4.480 0.002 0.000 0.182 230 M C 1.099 177.209 176.300 -0.317 0.000 0.903 230 M CA 1.853 56.834 55.300 -0.533 0.000 0.555 230 M CB -2.165 29.757 32.600 -1.130 0.000 1.106 230 M HN 1.488 nan 8.290 nan 0.000 0.867 231 G N -0.289 108.369 108.800 -0.238 0.000 2.187 231 G HA2 -0.302 3.659 3.960 0.002 0.000 0.261 231 G HA3 -0.302 3.659 3.960 0.002 0.000 0.261 231 G C -0.309 174.621 174.900 0.050 0.000 1.000 231 G CA 0.944 45.891 45.100 -0.254 0.000 0.718 231 G HN 0.701 nan 8.290 nan 0.000 0.519 232 Y N -1.049 119.489 120.300 0.397 0.000 2.602 232 Y HA 0.678 5.229 4.550 0.001 0.000 0.342 232 Y C 0.357 176.517 175.900 0.433 0.000 1.029 232 Y CA -1.050 57.344 58.100 0.490 0.000 1.080 232 Y CB 1.818 40.599 38.460 0.535 0.000 1.284 232 Y HN 0.065 nan 8.280 nan 0.000 0.485 233 E N 2.269 122.852 120.200 0.640 0.000 2.279 233 E HA 0.436 4.787 4.350 0.002 0.000 0.252 233 E C -2.023 174.872 176.600 0.490 0.000 0.894 233 E CA -0.395 56.284 56.400 0.464 0.000 0.785 233 E CB 0.835 30.763 29.700 0.380 0.000 1.237 233 E HN 0.524 nan 8.360 nan 0.000 0.418 234 L N 4.291 125.757 121.223 0.405 0.000 2.287 234 L HA 0.477 4.818 4.340 0.002 0.000 0.287 234 L C -0.353 176.638 176.870 0.202 0.000 1.022 234 L CA -0.693 54.386 54.840 0.398 0.000 0.814 234 L CB 1.068 43.345 42.059 0.362 0.000 1.217 234 L HN 0.547 nan 8.230 nan 0.000 0.420 235 H N 2.621 121.861 119.070 0.284 0.000 2.615 235 H HA 0.344 4.901 4.556 0.002 0.000 0.346 235 H C -1.742 173.752 175.328 0.276 0.000 1.200 235 H CA -1.589 54.563 56.048 0.174 0.000 1.264 235 H CB 1.186 31.004 29.762 0.094 0.000 1.699 235 H HN 0.259 nan 8.280 nan 0.000 0.567 236 P HA -0.144 nan 4.420 nan 0.000 0.217 236 P C 0.511 178.016 177.300 0.342 0.000 1.150 236 P CA 1.611 64.835 63.100 0.207 0.000 0.832 236 P CB 0.368 32.123 31.700 0.092 0.000 0.787 237 D N -1.735 118.867 120.400 0.337 0.000 2.423 237 D HA 0.029 4.670 4.640 0.002 0.000 0.208 237 D C 0.584 176.982 176.300 0.163 0.000 1.068 237 D CA 0.406 54.583 54.000 0.294 0.000 0.860 237 D CB 0.101 40.968 40.800 0.111 0.000 0.992 237 D HN 0.272 nan 8.370 nan 0.000 0.504 238 K N -1.242 119.216 120.400 0.095 0.000 2.466 238 K HA 0.587 4.908 4.320 0.002 0.000 0.277 238 K C -1.066 175.532 176.600 -0.004 0.000 1.039 238 K CA -1.133 55.024 56.287 -0.217 0.000 0.904 238 K CB 1.821 34.169 32.500 -0.253 0.000 1.506 238 K HN 0.128 nan 8.250 nan 0.000 0.441 239 W N -0.451 120.711 121.300 -0.230 0.000 2.988 239 W HA 0.716 5.376 4.660 0.001 0.000 0.355 239 W C -1.497 175.064 176.519 0.070 0.000 1.233 239 W CA -0.700 56.650 57.345 0.010 0.000 1.176 239 W CB 0.938 30.388 29.460 -0.016 0.000 1.477 239 W HN 0.914 nan 8.180 nan 0.000 0.582 240 T N -0.409 114.266 114.554 0.201 0.000 2.676 240 T HA 0.438 4.789 4.350 0.002 0.000 0.299 240 T C -1.601 173.348 174.700 0.415 0.000 1.657 240 T CA 0.348 62.375 62.100 -0.121 0.000 0.985 240 T CB 0.602 69.413 68.868 -0.096 0.000 1.926 240 T HN 1.121 nan 8.240 nan 0.000 0.456 241 V N 0.937 121.015 119.914 0.273 0.000 2.581 241 V HA 0.691 4.812 4.120 0.002 0.000 0.303 241 V C 0.005 176.323 176.094 0.375 0.000 1.041 241 V CA -0.931 61.609 62.300 0.400 0.000 0.907 241 V CB 1.200 33.185 31.823 0.269 0.000 0.994 241 V HN 0.955 nan 8.190 nan 0.000 0.442 242 Q N 3.096 123.124 119.800 0.380 0.000 2.304 242 Q HA 0.122 4.463 4.340 0.002 0.000 0.315 242 Q C -2.251 173.892 176.000 0.239 0.000 1.075 242 Q CA -0.786 55.180 55.803 0.271 0.000 0.988 242 Q CB -0.197 28.659 28.738 0.197 0.000 1.146 242 Q HN 0.586 nan 8.270 nan 0.000 0.383 243 P HA -0.120 nan 4.420 nan 0.000 0.257 243 P C -0.753 176.621 177.300 0.124 0.000 1.162 243 P CA 0.709 63.905 63.100 0.160 0.000 0.762 243 P CB 0.216 31.992 31.700 0.127 0.000 0.753 244 I N 3.848 124.482 120.570 0.106 0.000 2.359 244 I HA 0.363 4.534 4.170 0.002 0.000 0.294 244 I C -1.023 175.108 176.117 0.023 0.000 0.987 244 I CA -0.876 60.465 61.300 0.068 0.000 1.225 244 I CB 1.234 39.280 38.000 0.076 0.000 1.366 244 I HN -0.078 nan 8.210 nan 0.000 0.466 245 V N 8.091 128.022 119.914 0.029 0.000 2.378 245 V HA 0.352 4.473 4.120 0.002 0.000 0.288 245 V C 0.198 176.312 176.094 0.033 0.000 1.016 245 V CA -0.684 61.630 62.300 0.023 0.000 0.840 245 V CB 1.349 33.186 31.823 0.024 0.000 0.994 245 V HN 0.612 nan 8.190 nan 0.000 0.431 246 L N 6.455 127.701 121.223 0.038 0.000 2.380 246 L HA 0.371 4.712 4.340 0.002 0.000 0.273 246 L C -1.842 175.086 176.870 0.097 0.000 1.138 246 L CA -1.320 53.570 54.840 0.084 0.000 0.832 246 L CB 0.874 42.982 42.059 0.082 0.000 1.124 246 L HN 0.425 nan 8.230 nan 0.000 0.454 247 P HA 0.096 nan 4.420 nan 0.000 0.274 247 P C -0.654 176.705 177.300 0.097 0.000 1.260 247 P CA -0.249 62.873 63.100 0.036 0.000 0.793 247 P CB 0.543 32.168 31.700 -0.124 0.000 1.048 248 E N -0.048 120.153 120.200 0.001 0.000 3.666 248 E HA 0.157 4.508 4.350 0.002 0.000 0.230 248 E C -0.869 175.709 176.600 -0.037 0.000 1.235 248 E CA -0.304 56.128 56.400 0.053 0.000 1.096 248 E CB -0.195 29.527 29.700 0.036 0.000 1.287 248 E HN 0.183 nan 8.360 nan 0.000 0.406 249 K N 0.264 120.565 120.400 -0.165 0.000 2.177 249 K HA 0.377 4.698 4.320 0.002 0.000 0.238 249 K C 0.041 176.600 176.600 -0.068 0.000 1.015 249 K CA -0.764 55.342 56.287 -0.302 0.000 0.922 249 K CB 1.096 33.114 32.500 -0.803 0.000 1.127 249 K HN 0.100 nan 8.250 nan 0.000 0.469 250 D N -0.123 120.230 120.400 -0.078 0.000 2.463 250 D HA 0.000 4.641 4.640 0.002 0.000 0.237 250 D C -0.053 176.294 176.300 0.078 0.000 1.013 250 D CA 0.713 54.742 54.000 0.049 0.000 0.910 250 D CB 0.633 41.443 40.800 0.016 0.000 1.080 250 D HN 0.202 nan 8.370 nan 0.000 0.498 251 S N 0.469 116.131 115.700 -0.063 0.000 2.448 251 S HA 0.293 4.764 4.470 0.002 0.000 0.320 251 S C -1.234 173.273 174.600 -0.156 0.000 1.071 251 S CA -0.636 57.545 58.200 -0.030 0.000 1.113 251 S CB 0.483 63.654 63.200 -0.049 0.000 0.972 251 S HN 0.047 nan 8.310 nan 0.000 0.465 252 W N 2.774 124.071 121.300 -0.005 0.000 2.429 252 W HA 0.402 5.065 4.660 0.004 0.000 0.314 252 W C 0.487 177.003 176.519 -0.005 0.000 1.062 252 W CA -0.503 56.839 57.345 -0.006 0.000 1.211 252 W CB 1.067 30.524 29.460 -0.006 0.000 1.305 252 W HN 0.360 nan 8.180 nan 0.000 0.476 253 T N 1.922 116.572 114.554 0.160 0.000 2.918 253 T HA 0.088 4.439 4.350 0.002 0.000 0.283 253 T C 1.280 176.057 174.700 0.129 0.000 1.001 253 T CA -0.720 61.441 62.100 0.102 0.000 1.041 253 T CB 1.748 70.639 68.868 0.039 0.000 1.028 253 T HN 0.242 nan 8.240 nan 0.000 0.511 254 V N 2.190 122.154 119.914 0.085 0.000 2.380 254 V HA -0.212 3.909 4.120 0.002 0.000 0.251 254 V C 2.655 178.793 176.094 0.074 0.000 1.063 254 V CA 1.860 64.204 62.300 0.072 0.000 1.055 254 V CB -0.646 31.203 31.823 0.044 0.000 0.657 254 V HN 0.854 nan 8.190 nan 0.000 0.455 255 N N 0.194 118.930 118.700 0.061 0.000 2.106 255 N HA -0.191 4.550 4.740 0.002 0.000 0.188 255 N C 1.537 177.091 175.510 0.074 0.000 1.029 255 N CA 1.881 54.962 53.050 0.050 0.000 0.848 255 N CB -0.150 38.353 38.487 0.026 0.000 1.007 255 N HN 0.512 nan 8.380 nan 0.000 0.423 256 D N 1.168 121.627 120.400 0.098 0.000 2.117 256 D HA -0.126 4.514 4.640 0.002 0.000 0.197 256 D C 2.169 178.630 176.300 0.267 0.000 0.987 256 D CA 0.726 54.810 54.000 0.141 0.000 0.829 256 D CB -0.246 40.612 40.800 0.097 0.000 0.961 256 D HN 0.411 nan 8.370 nan 0.000 0.460 257 I N 1.149 121.895 120.570 0.292 0.000 2.099 257 I HA -0.310 3.861 4.170 0.002 0.000 0.239 257 I C 2.649 178.831 176.117 0.108 0.000 1.066 257 I CA 1.265 62.685 61.300 0.199 0.000 1.324 257 I CB -0.442 37.627 38.000 0.115 0.000 1.037 257 I HN -0.022 nan 8.210 nan 0.000 0.401 258 Q N 0.638 120.488 119.800 0.082 0.000 2.197 258 Q HA -0.248 4.093 4.340 0.002 0.000 0.207 258 Q C 2.224 178.256 176.000 0.053 0.000 0.984 258 Q CA 1.562 57.397 55.803 0.052 0.000 0.869 258 Q CB -0.085 28.677 28.738 0.040 0.000 0.906 258 Q HN 0.527 nan 8.270 nan 0.000 0.426 259 K N 0.162 120.603 120.400 0.068 0.000 2.044 259 K HA -0.109 4.212 4.320 0.002 0.000 0.204 259 K C 2.135 178.777 176.600 0.071 0.000 1.049 259 K CA 0.581 56.901 56.287 0.056 0.000 0.945 259 K CB -0.255 32.273 32.500 0.048 0.000 0.724 259 K HN 0.090 nan 8.250 nan 0.000 0.440 260 L N 1.748 123.040 121.223 0.114 0.000 1.971 260 L HA -0.223 4.118 4.340 0.002 0.000 0.215 260 L C 2.184 179.094 176.870 0.066 0.000 1.072 260 L CA 1.579 56.489 54.840 0.117 0.000 0.758 260 L CB -0.560 41.602 42.059 0.172 0.000 0.889 260 L HN -0.109 nan 8.230 nan 0.000 0.433 261 V N 0.318 120.259 119.914 0.046 0.000 2.278 261 V HA -0.330 3.791 4.120 0.002 0.000 0.251 261 V C 2.613 178.739 176.094 0.052 0.000 1.062 261 V CA 2.043 64.361 62.300 0.030 0.000 1.038 261 V CB -1.823 30.011 31.823 0.019 0.000 0.646 261 V HN 0.699 nan 8.190 nan 0.000 0.447 262 G N -0.234 108.600 108.800 0.055 0.000 2.459 262 G HA2 -0.257 3.704 3.960 0.002 0.000 0.217 262 G HA3 -0.257 3.704 3.960 0.002 0.000 0.217 262 G C 1.600 176.561 174.900 0.102 0.000 1.183 262 G CA 0.787 45.927 45.100 0.066 0.000 0.776 262 G HN 0.375 nan 8.290 nan 0.000 0.552 263 K N 0.329 120.780 120.400 0.085 0.000 2.152 263 K HA 0.043 4.364 4.320 0.002 0.000 0.206 263 K C 2.507 179.199 176.600 0.154 0.000 1.048 263 K CA 0.581 56.938 56.287 0.116 0.000 0.933 263 K CB -0.544 32.002 32.500 0.076 0.000 0.721 263 K HN 0.388 nan 8.250 nan 0.000 0.447 264 L N 0.526 121.809 121.223 0.100 0.000 2.072 264 L HA -0.172 4.169 4.340 0.002 0.000 0.205 264 L C 1.808 178.739 176.870 0.101 0.000 1.079 264 L CA 1.088 55.970 54.840 0.070 0.000 0.752 264 L CB -0.537 41.539 42.059 0.028 0.000 0.906 264 L HN 0.146 nan 8.230 nan 0.000 0.436 265 N N -0.318 118.455 118.700 0.122 0.000 2.061 265 N HA -0.275 4.466 4.740 0.002 0.000 0.193 265 N C 1.515 177.137 175.510 0.186 0.000 1.030 265 N CA 1.551 54.681 53.050 0.134 0.000 0.856 265 N CB -0.374 38.196 38.487 0.137 0.000 1.023 265 N HN 0.422 nan 8.380 nan 0.000 0.424 266 W N 1.800 123.124 121.300 0.040 0.000 2.304 266 W HA -0.298 4.364 4.660 0.003 0.000 0.315 266 W C 2.015 178.592 176.519 0.095 0.000 1.233 266 W CA 1.785 59.157 57.345 0.045 0.000 1.261 266 W CB -0.332 29.129 29.460 0.002 0.000 1.150 266 W HN 0.144 nan 8.180 nan 0.000 0.494 267 A N 0.578 123.431 122.820 0.055 0.000 1.933 267 A HA -0.213 4.108 4.320 0.002 0.000 0.218 267 A C 1.985 179.592 177.584 0.040 0.000 1.175 267 A CA 2.171 54.226 52.037 0.031 0.000 0.628 267 A CB -1.249 17.787 19.000 0.060 0.000 0.814 267 A HN 0.334 nan 8.150 nan 0.000 0.444 268 S N 0.438 116.156 115.700 0.029 0.000 2.413 268 S HA -0.310 4.160 4.470 0.002 0.000 0.237 268 S C 1.989 176.573 174.600 -0.027 0.000 1.044 268 S CA 1.789 60.000 58.200 0.018 0.000 1.024 268 S CB -0.548 62.669 63.200 0.029 0.000 0.829 268 S HN 0.909 nan 8.310 nan 0.000 0.475 269 Q N -0.247 119.525 119.800 -0.047 0.000 2.500 269 Q HA 0.046 4.387 4.340 0.002 0.000 0.213 269 Q C 1.588 177.604 176.000 0.027 0.000 0.974 269 Q CA 1.046 56.853 55.803 0.006 0.000 0.918 269 Q CB -0.109 28.674 28.738 0.075 0.000 0.980 269 Q HN 0.594 nan 8.270 nan 0.000 0.505 270 I N -1.886 118.644 120.570 -0.067 0.000 5.010 270 I HA 0.186 4.357 4.170 0.002 0.000 0.329 270 I C -0.787 175.167 176.117 -0.272 0.000 1.229 270 I CA -0.460 60.709 61.300 -0.218 0.000 1.399 270 I CB 0.960 38.689 38.000 -0.451 0.000 1.459 270 I HN -0.016 nan 8.210 nan 0.000 0.500 271 Y N 4.228 124.446 120.300 -0.137 0.000 2.477 271 Y HA 0.486 5.036 4.550 0.000 0.000 0.349 271 Y C -2.173 173.675 175.900 -0.087 0.000 0.977 271 Y CA -2.535 55.500 58.100 -0.108 0.000 1.214 271 Y CB 0.049 38.461 38.460 -0.081 0.000 1.124 271 Y HN 0.074 nan 8.280 nan 0.000 0.521 272 P HA 0.228 nan 4.420 nan 0.000 0.274 272 P C 0.803 178.124 177.300 0.034 0.000 1.237 272 P CA 0.427 63.532 63.100 0.008 0.000 0.793 272 P CB 1.112 32.802 31.700 -0.017 0.000 0.977 273 G N 0.831 109.642 108.800 0.019 0.000 2.199 273 G HA2 -0.202 3.759 3.960 0.002 0.000 0.254 273 G HA3 -0.202 3.759 3.960 0.002 0.000 0.254 273 G C 0.191 175.096 174.900 0.008 0.000 0.982 273 G CA -0.468 44.640 45.100 0.013 0.000 0.632 273 G HN 0.464 nan 8.290 nan 0.000 0.529 274 I N 1.224 121.804 120.570 0.016 0.000 2.618 274 I HA 0.274 4.445 4.170 0.002 0.000 0.284 274 I C 0.655 176.771 176.117 -0.001 0.000 1.146 274 I CA 0.793 62.093 61.300 0.001 0.000 1.425 274 I CB 0.803 38.808 38.000 0.010 0.000 1.383 274 I HN 0.147 nan 8.210 nan 0.000 0.562 275 K N 4.631 125.023 120.400 -0.014 0.000 2.427 275 K HA 0.453 4.774 4.320 0.002 0.000 0.252 275 K C 0.299 176.884 176.600 -0.024 0.000 0.931 275 K CA -0.506 55.772 56.287 -0.016 0.000 0.793 275 K CB 2.693 35.178 32.500 -0.024 0.000 1.211 275 K HN 0.431 nan 8.250 nan 0.000 0.426 276 V N -0.386 119.517 119.914 -0.019 0.000 3.432 276 V HA 0.178 4.299 4.120 0.002 0.000 0.298 276 V C 1.703 177.777 176.094 -0.033 0.000 1.464 276 V CA -0.055 62.229 62.300 -0.028 0.000 1.046 276 V CB 0.169 31.985 31.823 -0.010 0.000 0.887 276 V HN 0.787 nan 8.190 nan 0.000 0.441 277 R N 0.742 121.225 120.500 -0.030 0.000 2.143 277 R HA -0.230 4.111 4.340 0.002 0.000 0.239 277 R C 2.287 178.562 176.300 -0.042 0.000 1.126 277 R CA 2.796 58.877 56.100 -0.031 0.000 0.927 277 R CB -0.255 30.027 30.300 -0.031 0.000 0.860 277 R HN 0.564 nan 8.270 nan 0.000 0.433 278 Q N 0.392 120.160 119.800 -0.052 0.000 2.170 278 Q HA -0.044 4.297 4.340 0.002 0.000 0.203 278 Q C 1.280 177.231 176.000 -0.082 0.000 0.976 278 Q CA 0.886 56.650 55.803 -0.064 0.000 0.858 278 Q CB -0.281 28.415 28.738 -0.070 0.000 0.907 278 Q HN 0.375 nan 8.270 nan 0.000 0.433 282 L N 1.891 123.090 121.223 -0.040 0.000 2.127 282 L HA -0.133 4.208 4.340 0.002 0.000 0.211 282 L C 1.930 178.792 176.870 -0.013 0.000 1.089 282 L CA 1.310 56.130 54.840 -0.034 0.000 0.757 282 L CB -0.442 41.585 42.059 -0.055 0.000 0.899 282 L HN 0.173 nan 8.230 nan 0.000 0.434 283 L N -0.610 120.607 121.223 -0.010 0.000 2.362 283 L HA -0.080 4.261 4.340 0.002 0.000 0.219 283 L C 1.091 177.962 176.870 0.001 0.000 1.134 283 L CA 0.228 55.069 54.840 0.001 0.000 0.807 283 L CB -0.624 41.436 42.059 0.002 0.000 0.927 283 L HN 0.189 nan 8.230 nan 0.000 0.447 284 R N 0.599 121.097 120.500 -0.003 0.000 2.537 284 R HA 0.105 4.446 4.340 0.002 0.000 0.281 284 R C 1.377 177.678 176.300 0.001 0.000 0.988 284 R CA 0.711 56.809 56.100 -0.002 0.000 1.077 284 R CB -0.040 30.256 30.300 -0.006 0.000 0.932 284 R HN 0.317 nan 8.270 nan 0.000 0.409 285 G N 1.656 110.457 108.800 0.002 0.000 2.328 285 G HA2 -0.395 3.565 3.960 0.002 0.000 0.256 285 G HA3 -0.395 3.565 3.960 0.002 0.000 0.256 285 G C 0.390 175.294 174.900 0.006 0.000 1.014 285 G CA 0.616 45.718 45.100 0.004 0.000 0.620 285 G HN 0.830 nan 8.290 nan 0.000 0.530 286 T N -0.311 114.248 114.554 0.008 0.000 2.830 286 T HA 0.282 4.633 4.350 0.002 0.000 0.282 286 T C 1.066 175.773 174.700 0.010 0.000 1.024 286 T CA 1.282 63.389 62.100 0.012 0.000 1.144 286 T CB 0.866 69.743 68.868 0.015 0.000 1.035 286 T HN 1.002 nan 8.240 nan 0.000 0.507 287 K N 0.759 121.166 120.400 0.011 0.000 2.358 287 K HA 0.680 5.001 4.320 0.002 0.000 0.200 287 K C 0.275 176.880 176.600 0.009 0.000 1.030 287 K CA -0.019 56.273 56.287 0.009 0.000 1.097 287 K CB 0.550 33.055 32.500 0.008 0.000 0.862 287 K HN 0.939 nan 8.250 nan 0.000 0.534 288 A N 0.183 123.010 122.820 0.012 0.000 2.590 288 A HA 0.418 4.739 4.320 0.002 0.000 0.296 288 A C -0.428 177.164 177.584 0.015 0.000 1.050 288 A CA -0.759 51.284 52.037 0.011 0.000 0.697 288 A CB 0.346 19.351 19.000 0.009 0.000 1.277 288 A HN 0.016 nan 8.150 nan 0.000 0.411 289 L N 1.250 122.481 121.223 0.013 0.000 2.349 289 L HA -0.079 4.262 4.340 0.002 0.000 0.220 289 L C 2.555 179.436 176.870 0.018 0.000 1.130 289 L CA 2.750 57.600 54.840 0.016 0.000 0.791 289 L CB -0.725 41.341 42.059 0.011 0.000 0.918 289 L HN 0.973 nan 8.230 nan 0.000 0.444 290 T N -4.647 109.916 114.554 0.014 0.000 3.086 290 T HA 0.047 4.398 4.350 0.002 0.000 0.250 290 T C 0.770 175.481 174.700 0.017 0.000 1.074 290 T CA -0.380 61.726 62.100 0.011 0.000 0.988 290 T CB -0.210 68.661 68.868 0.004 0.000 0.988 290 T HN 0.298 nan 8.240 nan 0.000 0.530 291 E N 1.603 121.816 120.200 0.023 0.000 2.376 291 E HA 0.247 4.598 4.350 0.002 0.000 0.266 291 E C -0.854 175.771 176.600 0.042 0.000 1.009 291 E CA -0.357 56.059 56.400 0.027 0.000 0.902 291 E CB 0.739 30.454 29.700 0.025 0.000 0.972 291 E HN 0.110 nan 8.360 nan 0.000 0.439 292 V N 6.293 126.232 119.914 0.042 0.000 2.461 292 V HA 0.181 4.302 4.120 0.002 0.000 0.275 292 V C -0.007 176.127 176.094 0.068 0.000 1.047 292 V CA -0.282 62.055 62.300 0.063 0.000 0.955 292 V CB 0.864 32.718 31.823 0.051 0.000 0.988 292 V HN 0.538 nan 8.190 nan 0.000 0.471 293 I N 8.416 129.043 120.570 0.094 0.000 2.378 293 I HA 0.463 4.634 4.170 0.002 0.000 0.291 293 I C -2.035 174.131 176.117 0.082 0.000 0.992 293 I CA -2.005 59.337 61.300 0.070 0.000 1.154 293 I CB 2.007 40.038 38.000 0.051 0.000 1.315 293 I HN 0.471 nan 8.210 nan 0.000 0.448 294 P HA 0.253 nan 4.420 nan 0.000 0.278 294 P C -0.688 176.617 177.300 0.007 0.000 1.238 294 P CA -0.486 62.647 63.100 0.055 0.000 0.794 294 P CB 0.992 32.716 31.700 0.040 0.000 0.955 295 L N 2.113 123.325 121.223 -0.018 0.000 2.410 295 L HA 0.133 4.474 4.340 0.002 0.000 0.273 295 L C 1.210 178.041 176.870 -0.064 0.000 1.152 295 L CA 0.097 54.878 54.840 -0.098 0.000 0.855 295 L CB 0.245 42.191 42.059 -0.187 0.000 1.129 295 L HN 0.413 nan 8.230 nan 0.000 0.463 296 T N 1.550 116.061 114.554 -0.072 0.000 2.766 296 T HA -0.048 4.303 4.350 0.002 0.000 0.295 296 T C 1.196 175.863 174.700 -0.055 0.000 1.024 296 T CA -0.374 61.695 62.100 -0.051 0.000 1.018 296 T CB 1.092 69.930 68.868 -0.050 0.000 1.002 296 T HN 0.693 nan 8.240 nan 0.000 0.532 297 E N 0.225 120.402 120.200 -0.039 0.000 2.110 297 E HA -0.179 4.172 4.350 0.002 0.000 0.193 297 E C 1.493 178.066 176.600 -0.045 0.000 0.988 297 E CA 1.278 57.656 56.400 -0.036 0.000 0.804 297 E CB 0.096 29.781 29.700 -0.025 0.000 0.745 297 E HN 0.554 nan 8.360 nan 0.000 0.458 298 E N -0.063 120.108 120.200 -0.047 0.000 2.285 298 E HA -0.028 4.323 4.350 0.002 0.000 0.194 298 E C 1.570 178.128 176.600 -0.070 0.000 0.997 298 E CA 0.853 57.223 56.400 -0.051 0.000 0.845 298 E CB -0.003 29.671 29.700 -0.044 0.000 0.782 298 E HN 0.364 nan 8.360 nan 0.000 0.491 299 A N 0.979 123.745 122.820 -0.090 0.000 1.929 299 A HA -0.135 4.186 4.320 0.002 0.000 0.216 299 A C 1.911 179.405 177.584 -0.150 0.000 1.176 299 A CA 0.943 52.900 52.037 -0.132 0.000 0.628 299 A CB -0.159 18.744 19.000 -0.163 0.000 0.816 299 A HN 0.032 nan 8.150 nan 0.000 0.444 300 E N -0.169 119.958 120.200 -0.121 0.000 2.038 300 E HA -0.188 4.163 4.350 0.002 0.000 0.195 300 E C 1.961 178.514 176.600 -0.078 0.000 1.000 300 E CA 1.050 57.390 56.400 -0.101 0.000 0.803 300 E CB -0.551 29.112 29.700 -0.061 0.000 0.750 300 E HN 0.435 nan 8.360 nan 0.000 0.448 301 L N 1.510 122.696 121.223 -0.062 0.000 2.043 301 L HA -0.212 4.129 4.340 0.002 0.000 0.212 301 L C 2.359 179.197 176.870 -0.054 0.000 1.075 301 L CA 1.767 56.578 54.840 -0.048 0.000 0.752 301 L CB -0.492 41.542 42.059 -0.041 0.000 0.891 301 L HN 0.173 nan 8.230 nan 0.000 0.432 302 E N -0.765 119.393 120.200 -0.070 0.000 2.028 302 E HA -0.232 4.119 4.350 0.002 0.000 0.191 302 E C 2.363 178.916 176.600 -0.078 0.000 0.988 302 E CA 1.095 57.452 56.400 -0.071 0.000 0.799 302 E CB -0.217 29.434 29.700 -0.082 0.000 0.755 302 E HN 0.445 nan 8.360 nan 0.000 0.447 303 L N 0.377 121.535 121.223 -0.108 0.000 1.990 303 L HA -0.254 4.087 4.340 0.002 0.000 0.213 303 L C 2.488 179.322 176.870 -0.059 0.000 1.072 303 L CA 1.627 56.401 54.840 -0.109 0.000 0.755 303 L CB -0.425 41.533 42.059 -0.167 0.000 0.889 303 L HN 0.258 nan 8.230 nan 0.000 0.432 304 A N -0.714 122.076 122.820 -0.049 0.000 1.908 304 A HA -0.309 4.012 4.320 0.002 0.000 0.218 304 A C 2.156 179.723 177.584 -0.029 0.000 1.181 304 A CA 2.071 54.091 52.037 -0.028 0.000 0.627 304 A CB -0.641 18.345 19.000 -0.023 0.000 0.818 304 A HN 0.602 nan 8.150 nan 0.000 0.445 305 E N -0.201 119.977 120.200 -0.036 0.000 2.031 305 E HA -0.206 4.145 4.350 0.002 0.000 0.193 305 E C 1.825 178.403 176.600 -0.037 0.000 0.994 305 E CA 1.268 57.649 56.400 -0.032 0.000 0.800 305 E CB -0.141 29.539 29.700 -0.033 0.000 0.752 305 E HN 0.601 nan 8.360 nan 0.000 0.447 306 N N 0.706 119.377 118.700 -0.048 0.000 2.104 306 N HA -0.201 4.540 4.740 0.002 0.000 0.190 306 N C 1.858 177.321 175.510 -0.078 0.000 1.024 306 N CA 0.886 53.898 53.050 -0.064 0.000 0.853 306 N CB -0.446 38.001 38.487 -0.067 0.000 1.008 306 N HN 0.170 nan 8.380 nan 0.000 0.424 307 R N 1.126 121.594 120.500 -0.053 0.000 2.103 307 R HA -0.134 4.207 4.340 0.002 0.000 0.242 307 R C 1.545 177.819 176.300 -0.044 0.000 1.142 307 R CA 1.317 57.392 56.100 -0.042 0.000 0.960 307 R CB 0.117 30.409 30.300 -0.014 0.000 0.858 307 R HN 0.150 nan 8.270 nan 0.000 0.439 308 E N 0.306 120.487 120.200 -0.033 0.000 2.107 308 E HA -0.126 4.225 4.350 0.002 0.000 0.191 308 E C 2.030 178.618 176.600 -0.020 0.000 0.982 308 E CA 0.909 57.297 56.400 -0.020 0.000 0.809 308 E CB -0.094 29.598 29.700 -0.013 0.000 0.756 308 E HN 0.458 nan 8.360 nan 0.000 0.459 309 I N 0.714 121.263 120.570 -0.034 0.000 2.315 309 I HA -0.247 3.924 4.170 0.002 0.000 0.248 309 I C 2.221 178.301 176.117 -0.061 0.000 1.117 309 I CA 0.831 62.124 61.300 -0.011 0.000 1.404 309 I CB -0.152 37.839 38.000 -0.016 0.000 1.071 309 I HN 0.042 nan 8.210 nan 0.000 0.419 310 L N 0.095 121.187 121.223 -0.219 0.000 2.395 310 L HA -0.096 4.245 4.340 0.002 0.000 0.218 310 L C 2.318 179.111 176.870 -0.128 0.000 1.130 310 L CA 0.576 55.172 54.840 -0.407 0.000 0.826 310 L CB -0.473 41.372 42.059 -0.357 0.000 0.941 310 L HN 0.115 nan 8.230 nan 0.000 0.451 311 K N 0.674 121.051 120.400 -0.038 0.000 2.365 311 K HA -0.020 4.301 4.320 0.002 0.000 0.199 311 K C 0.132 176.765 176.600 0.055 0.000 1.045 311 K CA 0.572 56.865 56.287 0.011 0.000 0.962 311 K CB 0.027 32.530 32.500 0.005 0.000 0.759 311 K HN 0.224 nan 8.250 nan 0.000 0.469 312 E N 1.012 121.271 120.200 0.097 0.000 2.115 312 E HA 0.151 4.502 4.350 0.002 0.000 0.282 312 E C -2.540 174.168 176.600 0.181 0.000 0.987 312 E CA -2.177 54.289 56.400 0.110 0.000 0.797 312 E CB 1.243 30.997 29.700 0.089 0.000 1.086 312 E HN -0.148 nan 8.360 nan 0.000 0.397 313 P HA -0.008 nan 4.420 nan 0.000 0.268 313 P C -0.795 176.491 177.300 -0.023 0.000 1.485 313 P CA -0.197 62.963 63.100 0.100 0.000 1.102 313 P CB 0.155 31.898 31.700 0.073 0.000 1.501 314 V N 2.165 121.949 119.914 -0.216 0.000 2.785 314 V HA 0.626 4.747 4.120 0.002 0.000 0.300 314 V C -0.118 175.688 176.094 -0.480 0.000 1.062 314 V CA -0.397 61.633 62.300 -0.450 0.000 1.029 314 V CB 0.865 32.285 31.823 -0.672 0.000 1.024 314 V HN 0.593 nan 8.190 nan 0.000 0.477 315 H N 1.489 120.290 119.070 -0.448 0.000 2.894 315 H HA 0.917 5.475 4.556 0.003 0.000 0.368 315 H C -0.023 174.895 175.328 -0.683 0.000 1.181 315 H CA -0.339 55.389 56.048 -0.534 0.000 1.146 315 H CB 1.533 31.074 29.762 -0.369 0.000 1.839 315 H HN 0.988 nan 8.280 nan 0.000 0.557 316 G N 0.129 108.329 108.800 -0.998 0.000 2.461 316 G HA2 0.504 4.465 3.960 0.002 0.000 0.329 316 G HA3 0.504 4.465 3.960 0.002 0.000 0.329 316 G C -1.108 173.608 174.900 -0.305 0.000 1.170 316 G CA -0.718 43.748 45.100 -1.056 0.000 0.935 316 G HN 0.548 nan 8.290 nan 0.000 0.492 317 V N -0.102 119.886 119.914 0.124 0.000 3.093 317 V HA 0.610 4.731 4.120 0.002 0.000 0.320 317 V C -0.857 175.364 176.094 0.211 0.000 1.093 317 V CA -0.724 61.641 62.300 0.107 0.000 1.016 317 V CB 1.736 33.621 31.823 0.104 0.000 1.096 317 V HN 0.583 nan 8.190 nan 0.000 0.452 318 Y N 0.773 121.256 120.300 0.306 0.000 2.519 318 Y HA 0.379 4.930 4.550 0.002 0.000 0.324 318 Y C -0.088 175.956 175.900 0.240 0.000 1.214 318 Y CA -1.092 57.155 58.100 0.245 0.000 1.260 318 Y CB 0.630 39.190 38.460 0.167 0.000 1.311 318 Y HN 0.587 nan 8.280 nan 0.000 0.505 319 Y N 1.419 121.902 120.300 0.305 0.000 2.442 319 Y HA 0.125 4.675 4.550 0.001 0.000 0.330 319 Y C -0.196 175.760 175.900 0.094 0.000 1.129 319 Y CA -0.198 57.995 58.100 0.156 0.000 1.365 319 Y CB 0.523 39.118 38.460 0.225 0.000 1.233 319 Y HN 0.515 nan 8.280 nan 0.000 0.529 320 D N 8.676 128.875 120.400 -0.335 0.000 2.458 320 D HA 0.265 4.906 4.640 0.002 0.000 0.258 320 D C -1.948 173.888 176.300 -0.773 0.000 1.134 320 D CA -2.469 51.291 54.000 -0.400 0.000 0.915 320 D CB 1.443 42.143 40.800 -0.166 0.000 1.028 320 D HN 0.358 nan 8.370 nan 0.000 0.508 321 P HA -0.227 nan 4.420 nan 0.000 0.218 321 P C 1.323 178.411 177.300 -0.354 0.000 1.147 321 P CA 1.205 63.802 63.100 -0.839 0.000 0.827 321 P CB 0.242 31.704 31.700 -0.395 0.000 0.778 322 S N -1.497 114.034 115.700 -0.281 0.000 2.356 322 S HA -0.095 4.376 4.470 0.002 0.000 0.223 322 S C 1.066 175.592 174.600 -0.124 0.000 1.032 322 S CA 0.901 59.009 58.200 -0.152 0.000 1.005 322 S CB -0.738 62.389 63.200 -0.121 0.000 0.867 322 S HN 0.120 nan 8.310 nan 0.000 0.449 323 K N 1.640 121.953 120.400 -0.144 0.000 2.098 323 K HA 0.349 4.670 4.320 0.002 0.000 0.244 323 K C -0.606 175.946 176.600 -0.079 0.000 1.014 323 K CA -0.618 55.612 56.287 -0.095 0.000 0.917 323 K CB 0.245 32.698 32.500 -0.078 0.000 1.072 323 K HN 0.211 nan 8.250 nan 0.000 0.477 324 D N 0.857 121.213 120.400 -0.074 0.000 2.383 324 D HA 0.246 4.887 4.640 0.002 0.000 0.248 324 D C -0.121 176.084 176.300 -0.159 0.000 1.170 324 D CA -0.162 53.782 54.000 -0.093 0.000 0.977 324 D CB 0.783 41.524 40.800 -0.099 0.000 1.120 324 D HN 0.175 nan 8.370 nan 0.000 0.481 325 L N 1.672 122.757 121.223 -0.231 0.000 2.296 325 L HA 0.381 4.722 4.340 0.002 0.000 0.286 325 L C -0.431 176.157 176.870 -0.470 0.000 1.023 325 L CA -0.696 53.903 54.840 -0.401 0.000 0.812 325 L CB 1.237 43.018 42.059 -0.462 0.000 1.223 325 L HN 0.085 nan 8.230 nan 0.000 0.421 326 I N 2.856 123.039 120.570 -0.645 0.000 2.465 326 I HA 0.582 4.753 4.170 0.002 0.000 0.291 326 I C 0.071 175.606 176.117 -0.970 0.000 1.014 326 I CA -0.588 60.219 61.300 -0.822 0.000 1.093 326 I CB 1.714 39.102 38.000 -1.020 0.000 1.267 326 I HN 0.558 nan 8.210 nan 0.000 0.431 327 A N 5.119 127.462 122.820 -0.794 0.000 2.331 327 A HA 0.709 5.030 4.320 0.002 0.000 0.320 327 A C -0.476 176.906 177.584 -0.337 0.000 1.138 327 A CA -0.515 51.153 52.037 -0.616 0.000 0.790 327 A CB 1.378 19.822 19.000 -0.928 0.000 1.206 327 A HN 0.759 nan 8.150 nan 0.000 0.470 328 E N 2.077 122.213 120.200 -0.107 0.000 2.222 328 E HA 0.705 5.056 4.350 0.002 0.000 0.267 328 E C -1.343 175.368 176.600 0.186 0.000 0.884 328 E CA -0.391 56.049 56.400 0.067 0.000 0.764 328 E CB 1.218 31.006 29.700 0.147 0.000 1.169 328 E HN 0.606 nan 8.360 nan 0.000 0.413 329 I N 3.060 123.749 120.570 0.198 0.000 2.689 329 I HA 0.402 4.573 4.170 0.002 0.000 0.299 329 I C -0.768 175.511 176.117 0.270 0.000 1.059 329 I CA -0.971 60.483 61.300 0.256 0.000 1.055 329 I CB 2.068 40.188 38.000 0.200 0.000 1.243 329 I HN 0.502 nan 8.210 nan 0.000 0.425 330 Q N 3.144 123.132 119.800 0.313 0.000 2.456 330 Q HA 0.426 4.767 4.340 0.002 0.000 0.283 330 Q C -1.033 175.076 176.000 0.182 0.000 1.084 330 Q CA -0.948 54.993 55.803 0.230 0.000 0.801 330 Q CB 2.484 31.302 28.738 0.133 0.000 1.434 330 Q HN 0.343 nan 8.270 nan 0.000 0.419 331 K N 1.409 121.746 120.400 -0.106 0.000 2.268 331 K HA 0.121 4.442 4.320 0.002 0.000 0.276 331 K C -0.092 176.313 176.600 -0.325 0.000 1.080 331 K CA 0.014 55.936 56.287 -0.609 0.000 0.910 331 K CB 0.638 32.666 32.500 -0.787 0.000 1.163 331 K HN 0.651 nan 8.250 nan 0.000 0.465 332 Q N 2.976 122.619 119.800 -0.263 0.000 2.329 332 Q HA 0.102 4.443 4.340 0.002 0.000 0.208 332 Q C -0.321 175.586 176.000 -0.156 0.000 0.934 332 Q CA 0.190 55.912 55.803 -0.136 0.000 0.951 332 Q CB 0.167 28.870 28.738 -0.058 0.000 1.017 332 Q HN 0.938 nan 8.270 nan 0.000 0.490 333 G N 0.665 109.320 108.800 -0.241 0.000 2.375 333 G HA2 -0.186 3.775 3.960 0.002 0.000 0.663 333 G HA3 -0.186 3.775 3.960 0.002 0.000 0.663 333 G C -1.335 173.426 174.900 -0.232 0.000 1.391 333 G CA -0.841 44.149 45.100 -0.184 0.000 0.949 333 G HN 0.276 nan 8.290 nan 0.000 0.646 334 Q N 0.246 119.956 119.800 -0.151 0.000 2.398 334 Q HA 0.297 4.638 4.340 0.002 0.000 0.329 334 Q C 1.692 177.634 176.000 -0.096 0.000 1.079 334 Q CA 2.427 58.159 55.803 -0.118 0.000 1.041 334 Q CB -0.155 28.543 28.738 -0.066 0.000 1.084 334 Q HN 2.568 nan 8.270 nan 0.000 0.386 335 G N 2.992 111.758 108.800 -0.057 0.000 2.363 335 G HA2 -0.301 3.660 3.960 0.002 0.000 0.238 335 G HA3 -0.301 3.660 3.960 0.002 0.000 0.238 335 G C -0.089 174.850 174.900 0.064 0.000 1.062 335 G CA 0.399 45.532 45.100 0.056 0.000 0.629 335 G HN 0.579 nan 8.290 nan 0.000 0.514 336 Q N -0.245 119.474 119.800 -0.134 0.000 2.257 336 Q HA 0.650 4.991 4.340 0.002 0.000 0.255 336 Q C -0.916 174.883 176.000 -0.334 0.000 0.920 336 Q CA -0.210 55.543 55.803 -0.083 0.000 0.927 336 Q CB 0.894 29.599 28.738 -0.055 0.000 1.229 336 Q HN 0.463 nan 8.270 nan 0.000 0.433 337 W N 0.896 122.297 121.300 0.168 0.000 2.819 337 W HA 0.587 5.252 4.660 0.008 0.000 0.337 337 W C -0.539 176.095 176.519 0.192 0.000 1.077 337 W CA -0.670 56.771 57.345 0.160 0.000 1.226 337 W CB 1.798 31.348 29.460 0.151 0.000 1.419 337 W HN 0.514 nan 8.180 nan 0.000 0.502 338 T N 0.039 114.814 114.554 0.369 0.000 2.887 338 T HA 0.812 5.163 4.350 0.002 0.000 0.288 338 T C -1.158 173.743 174.700 0.335 0.000 1.021 338 T CA -0.748 61.508 62.100 0.260 0.000 1.000 338 T CB 1.813 70.754 68.868 0.123 0.000 1.034 338 T HN 0.475 nan 8.240 nan 0.000 0.467 339 Y N -0.676 119.717 120.300 0.154 0.000 2.670 339 Y HA 0.757 5.306 4.550 -0.001 0.000 0.334 339 Y C -1.677 174.285 175.900 0.105 0.000 1.185 339 Y CA -1.349 56.827 58.100 0.127 0.000 1.053 339 Y CB 1.594 40.127 38.460 0.121 0.000 1.298 339 Y HN 0.780 nan 8.280 nan 0.000 0.459 340 Q N 2.072 122.033 119.800 0.268 0.000 2.313 340 Q HA 0.439 4.780 4.340 0.002 0.000 0.260 340 Q C -2.065 174.033 176.000 0.164 0.000 0.972 340 Q CA -0.634 55.264 55.803 0.159 0.000 0.886 340 Q CB 2.578 31.390 28.738 0.124 0.000 1.373 340 Q HN 0.806 nan 8.270 nan 0.000 0.416 341 I N 3.778 124.429 120.570 0.135 0.000 2.315 341 I HA 0.434 4.605 4.170 0.002 0.000 0.291 341 I C -0.557 175.517 176.117 -0.071 0.000 1.006 341 I CA -0.472 60.768 61.300 -0.101 0.000 1.265 341 I CB 0.463 38.402 38.000 -0.102 0.000 1.387 341 I HN 0.559 nan 8.210 nan 0.000 0.475 342 Y N 3.267 123.444 120.300 -0.205 0.000 2.605 342 Y HA 0.663 5.212 4.550 -0.001 0.000 0.343 342 Y C 0.200 175.962 175.900 -0.231 0.000 1.036 342 Y CA -0.945 57.041 58.100 -0.189 0.000 1.065 342 Y CB 1.101 39.451 38.460 -0.184 0.000 1.288 342 Y HN 0.509 nan 8.280 nan 0.000 0.481 343 Q N -0.033 119.824 119.800 0.095 0.000 2.581 343 Q HA 0.195 4.536 4.340 0.002 0.000 0.222 343 Q C -0.460 175.604 176.000 0.106 0.000 0.904 343 Q CA -0.003 55.803 55.803 0.003 0.000 0.923 343 Q CB 0.779 29.499 28.738 -0.029 0.000 1.117 343 Q HN 0.747 nan 8.270 nan 0.000 0.618 344 E N 2.253 122.506 120.200 0.088 0.000 2.259 344 E HA 0.193 4.544 4.350 0.002 0.000 0.281 344 E C -2.509 174.063 176.600 -0.047 0.000 1.027 344 E CA -2.294 54.125 56.400 0.032 0.000 0.838 344 E CB 1.100 30.805 29.700 0.008 0.000 1.066 344 E HN -0.096 nan 8.360 nan 0.000 0.401 345 P HA -0.179 nan 4.420 nan 0.000 0.252 345 P C -0.785 176.338 177.300 -0.295 0.000 1.126 345 P CA 0.905 63.863 63.100 -0.236 0.000 0.777 345 P CB -0.277 31.451 31.700 0.046 0.000 0.711 346 F N 0.642 119.984 119.950 -1.013 0.000 3.097 346 F HA -0.270 4.256 4.527 -0.001 0.000 0.278 346 F C 0.980 176.533 175.800 -0.412 0.000 0.917 346 F CA 1.136 58.677 58.000 -0.764 0.000 0.962 346 F CB -1.602 37.141 39.000 -0.428 0.000 0.964 346 F HN 0.302 nan 8.300 nan 0.000 0.668 347 K N 1.404 121.652 120.400 -0.254 0.000 2.579 347 K HA 0.285 4.606 4.320 0.002 0.000 0.225 347 K C 0.064 176.650 176.600 -0.023 0.000 0.992 347 K CA -0.619 55.607 56.287 -0.101 0.000 1.018 347 K CB 0.583 33.046 32.500 -0.062 0.000 1.249 347 K HN 0.089 nan 8.250 nan 0.000 0.489 348 N N 3.138 121.835 118.700 -0.005 0.000 2.288 348 N HA 0.039 4.780 4.740 0.002 0.000 0.237 348 N C 0.478 176.051 175.510 0.104 0.000 1.311 348 N CA -0.203 52.895 53.050 0.080 0.000 0.909 348 N CB 0.510 39.031 38.487 0.056 0.000 1.167 348 N HN 0.391 nan 8.380 nan 0.000 0.476 349 L N -1.364 119.974 121.223 0.192 0.000 2.766 349 L HA 0.339 4.679 4.340 0.002 0.000 0.241 349 L C 0.587 177.787 176.870 0.550 0.000 1.080 349 L CA 0.818 55.878 54.840 0.367 0.000 0.909 349 L CB -0.240 41.994 42.059 0.292 0.000 1.277 349 L HN 0.620 nan 8.230 nan 0.000 0.510 350 K N -0.860 119.762 120.400 0.370 0.000 2.607 350 K HA 0.574 4.895 4.320 0.002 0.000 0.287 350 K C -1.301 175.400 176.600 0.170 0.000 0.996 350 K CA -0.122 56.396 56.287 0.384 0.000 0.876 350 K CB 1.988 34.734 32.500 0.410 0.000 1.496 350 K HN -0.009 nan 8.250 nan 0.000 0.415 351 T N -1.548 113.027 114.554 0.035 0.000 2.778 351 T HA 0.916 5.267 4.350 0.002 0.000 0.293 351 T C -0.158 174.229 174.700 -0.522 0.000 1.144 351 T CA -0.370 61.592 62.100 -0.231 0.000 1.010 351 T CB 1.849 70.620 68.868 -0.163 0.000 1.325 351 T HN 0.881 nan 8.240 nan 0.000 0.515 352 G N -0.144 108.103 108.800 -0.923 0.000 2.328 352 G HA2 0.527 4.488 3.960 0.002 0.000 0.295 352 G HA3 0.527 4.488 3.960 0.002 0.000 0.295 352 G C -2.072 172.551 174.900 -0.462 0.000 1.413 352 G CA -0.992 43.663 45.100 -0.741 0.000 0.817 352 G HN 0.792 nan 8.290 nan 0.000 0.546 353 K N -1.261 119.163 120.400 0.040 0.000 2.316 353 K HA 0.734 5.055 4.320 0.002 0.000 0.234 353 K C -1.830 175.047 176.600 0.462 0.000 1.054 353 K CA -1.008 55.426 56.287 0.247 0.000 0.879 353 K CB 2.592 35.183 32.500 0.151 0.000 1.252 353 K HN 0.567 nan 8.250 nan 0.000 0.471 354 Y N -0.665 119.810 120.300 0.293 0.000 2.313 354 Y HA 0.389 4.940 4.550 0.001 0.000 0.320 354 Y C -0.988 175.076 175.900 0.272 0.000 1.171 354 Y CA -0.411 57.848 58.100 0.264 0.000 1.093 354 Y CB 1.400 40.007 38.460 0.245 0.000 1.224 354 Y HN 0.638 nan 8.280 nan 0.000 0.421 355 A N 4.628 127.415 122.820 -0.054 0.000 2.192 355 A HA 0.231 4.552 4.320 0.002 0.000 0.208 355 A C 0.873 178.358 177.584 -0.166 0.000 1.220 355 A CA -0.232 51.804 52.037 -0.001 0.000 0.900 355 A CB 0.158 19.154 19.000 -0.007 0.000 0.937 355 A HN 0.482 nan 8.150 nan 0.000 0.487 356 R N 1.466 121.609 120.500 -0.596 0.000 4.478 356 R HA -0.112 4.229 4.340 0.002 0.000 0.228 356 R C -0.229 175.964 176.300 -0.179 0.000 0.457 356 R CA 0.372 56.137 56.100 -0.559 0.000 0.951 356 R CB -1.122 28.534 30.300 -1.073 0.000 0.917 356 R HN 0.619 nan 8.270 nan 0.000 0.295 357 M N 5.721 125.295 119.600 -0.043 0.000 2.077 357 M HA 0.168 4.649 4.480 0.002 0.000 0.348 357 M C -0.332 175.983 176.300 0.025 0.000 1.252 357 M CA -0.164 55.161 55.300 0.041 0.000 1.096 357 M CB 0.421 33.043 32.600 0.036 0.000 1.568 357 M HN 0.222 nan 8.290 nan 0.000 0.456 358 R N 4.376 124.909 120.500 0.056 0.000 2.235 358 R HA 0.587 4.928 4.340 0.002 0.000 0.338 358 R C 0.090 176.421 176.300 0.052 0.000 1.087 358 R CA -0.120 56.012 56.100 0.053 0.000 0.948 358 R CB 0.512 30.858 30.300 0.077 0.000 1.099 358 R HN 1.000 nan 8.270 nan 0.000 0.483 359 G N 1.277 110.091 108.800 0.024 0.000 2.719 359 G HA2 -0.123 3.838 3.960 0.002 0.000 0.686 359 G HA3 -0.123 3.838 3.960 0.002 0.000 0.686 359 G C 0.558 175.407 174.900 -0.085 0.000 1.201 359 G CA -0.480 44.618 45.100 -0.003 0.000 0.768 359 G HN 0.560 nan 8.290 nan 0.000 0.629 360 A N 1.542 124.222 122.820 -0.235 0.000 1.948 360 A HA 0.112 4.433 4.320 0.002 0.000 0.220 360 A C 1.128 178.487 177.584 -0.375 0.000 1.177 360 A CA 2.275 54.075 52.037 -0.394 0.000 0.636 360 A CB -0.477 18.138 19.000 -0.640 0.000 0.815 360 A HN 1.218 nan 8.150 nan 0.000 0.449 361 H N -2.202 116.906 119.070 0.064 0.000 2.622 361 H HA 0.675 5.231 4.556 0.001 0.000 0.363 361 H C -0.439 174.923 175.328 0.055 0.000 1.151 361 H CA 0.213 56.290 56.048 0.049 0.000 1.184 361 H CB 1.433 31.224 29.762 0.049 0.000 1.643 361 H HN 0.192 nan 8.280 nan 0.000 0.531 362 T N 0.921 115.561 114.554 0.143 0.000 2.677 362 T HA 0.319 4.670 4.350 0.002 0.000 0.305 362 T C -1.531 173.153 174.700 -0.026 0.000 1.569 362 T CA -0.912 61.221 62.100 0.055 0.000 0.984 362 T CB 1.623 70.516 68.868 0.042 0.000 1.629 362 T HN 0.935 nan 8.240 nan 0.000 0.494 363 N N 0.077 118.686 118.700 -0.151 0.000 2.405 363 N HA 0.472 5.213 4.740 0.002 0.000 0.285 363 N C 0.065 175.468 175.510 -0.177 0.000 1.262 363 N CA -0.637 52.292 53.050 -0.203 0.000 0.773 363 N CB 0.932 39.191 38.487 -0.379 0.000 1.490 363 N HN 0.378 nan 8.380 nan 0.000 0.486 364 D N 0.014 120.388 120.400 -0.044 0.000 2.133 364 D HA -0.129 4.512 4.640 0.002 0.000 0.195 364 D C 1.661 177.903 176.300 -0.097 0.000 0.997 364 D CA 1.194 55.274 54.000 0.132 0.000 0.840 364 D CB -0.213 40.739 40.800 0.253 0.000 0.947 364 D HN 0.379 nan 8.370 nan 0.000 0.452 365 V N 0.816 120.531 119.914 -0.332 0.000 2.255 365 V HA -0.270 3.851 4.120 0.002 0.000 0.247 365 V C 2.448 178.189 176.094 -0.588 0.000 1.051 365 V CA 1.863 63.867 62.300 -0.494 0.000 1.018 365 V CB -0.485 30.861 31.823 -0.794 0.000 0.641 365 V HN 0.175 nan 8.190 nan 0.000 0.445 366 K N -0.219 119.729 120.400 -0.754 0.000 2.002 366 K HA -0.263 4.058 4.320 0.002 0.000 0.209 366 K C 2.369 178.760 176.600 -0.349 0.000 1.048 366 K CA 1.982 57.951 56.287 -0.530 0.000 0.930 366 K CB -0.233 31.973 32.500 -0.489 0.000 0.714 366 K HN 0.461 nan 8.250 nan 0.000 0.438 367 Q N 0.258 119.883 119.800 -0.291 0.000 2.135 367 Q HA -0.183 4.158 4.340 0.002 0.000 0.204 367 Q C 2.142 177.720 176.000 -0.703 0.000 0.981 367 Q CA 1.532 57.182 55.803 -0.255 0.000 0.856 367 Q CB -0.058 28.705 28.738 0.043 0.000 0.902 367 Q HN 0.355 nan 8.270 nan 0.000 0.425 368 L N -0.328 120.363 121.223 -0.887 0.000 2.109 368 L HA -0.086 4.255 4.340 0.002 0.000 0.207 368 L C 2.057 178.413 176.870 -0.856 0.000 1.086 368 L CA 1.842 55.918 54.840 -1.273 0.000 0.760 368 L CB -0.611 40.832 42.059 -1.027 0.000 0.910 368 L HN 0.050 nan 8.230 nan 0.000 0.437 369 T N -0.316 113.897 114.554 -0.569 0.000 2.833 369 T HA -0.159 4.192 4.350 0.002 0.000 0.269 369 T C 1.643 176.077 174.700 -0.444 0.000 1.054 369 T CA 1.759 63.609 62.100 -0.416 0.000 1.135 369 T CB -0.210 68.566 68.868 -0.152 0.000 0.869 369 T HN 0.496 nan 8.240 nan 0.000 0.466 370 E N 0.835 120.768 120.200 -0.444 0.000 2.208 370 E HA 0.054 4.405 4.350 0.002 0.000 0.193 370 E C 2.441 178.684 176.600 -0.595 0.000 0.988 370 E CA 0.713 56.902 56.400 -0.352 0.000 0.828 370 E CB -0.113 29.500 29.700 -0.146 0.000 0.763 370 E HN 0.459 nan 8.360 nan 0.000 0.478 371 A N 0.834 123.038 122.820 -1.028 0.000 1.968 371 A HA -0.097 4.224 4.320 0.002 0.000 0.217 371 A C 2.423 179.576 177.584 -0.719 0.000 1.169 371 A CA 0.773 52.066 52.037 -1.240 0.000 0.638 371 A CB -0.386 17.812 19.000 -1.337 0.000 0.812 371 A HN 0.102 nan 8.150 nan 0.000 0.446 372 V N -0.185 119.297 119.914 -0.719 0.000 2.343 372 V HA -0.259 3.862 4.120 0.002 0.000 0.247 372 V C 2.705 178.499 176.094 -0.499 0.000 1.051 372 V CA 2.253 64.078 62.300 -0.792 0.000 1.036 372 V CB -0.706 30.488 31.823 -1.048 0.000 0.654 372 V HN 0.641 nan 8.190 nan 0.000 0.451 373 Q N 0.684 120.256 119.800 -0.379 0.000 2.167 373 Q HA -0.182 4.159 4.340 0.002 0.000 0.202 373 Q C 2.206 178.131 176.000 -0.124 0.000 0.970 373 Q CA 1.882 57.562 55.803 -0.206 0.000 0.855 373 Q CB -0.394 28.261 28.738 -0.138 0.000 0.911 373 Q HN 0.691 nan 8.270 nan 0.000 0.438 374 K N -0.221 120.098 120.400 -0.136 0.000 2.025 374 K HA -0.115 4.206 4.320 0.002 0.000 0.207 374 K C 1.971 178.525 176.600 -0.077 0.000 1.049 374 K CA 1.420 57.682 56.287 -0.042 0.000 0.933 374 K CB -0.323 32.222 32.500 0.074 0.000 0.714 374 K HN 0.285 nan 8.250 nan 0.000 0.438 375 I N 1.531 122.006 120.570 -0.158 0.000 2.208 375 I HA -0.278 3.892 4.170 0.002 0.000 0.245 375 I C 2.256 178.386 176.117 0.023 0.000 1.097 375 I CA 1.631 62.845 61.300 -0.144 0.000 1.363 375 I CB -0.506 37.416 38.000 -0.131 0.000 1.051 375 I HN 0.319 nan 8.210 nan 0.000 0.413 376 T N -0.066 114.536 114.554 0.080 0.000 2.652 376 T HA -0.209 4.142 4.350 0.002 0.000 0.267 376 T C 1.924 176.644 174.700 0.034 0.000 1.039 376 T CA 2.224 64.385 62.100 0.102 0.000 1.153 376 T CB -0.466 68.429 68.868 0.044 0.000 0.863 376 T HN 0.355 nan 8.240 nan 0.000 0.428 377 T N 1.360 115.913 114.554 -0.001 0.000 2.684 377 T HA -0.144 4.207 4.350 0.002 0.000 0.267 377 T C 1.944 176.620 174.700 -0.039 0.000 1.036 377 T CA 1.579 63.673 62.100 -0.011 0.000 1.148 377 T CB -0.313 68.550 68.868 -0.008 0.000 0.863 377 T HN 0.528 nan 8.240 nan 0.000 0.436 378 E N 0.394 120.562 120.200 -0.052 0.000 2.110 378 E HA -0.126 4.225 4.350 0.002 0.000 0.193 378 E C 2.276 178.752 176.600 -0.207 0.000 0.988 378 E CA 1.269 57.602 56.400 -0.112 0.000 0.804 378 E CB -0.001 29.648 29.700 -0.085 0.000 0.745 378 E HN 0.403 nan 8.360 nan 0.000 0.458 379 S N 0.470 116.117 115.700 -0.089 0.000 2.387 379 S HA -0.083 4.388 4.470 0.002 0.000 0.226 379 S C 1.951 176.509 174.600 -0.071 0.000 1.026 379 S CA 0.811 58.999 58.200 -0.022 0.000 0.972 379 S CB -0.165 63.214 63.200 0.298 0.000 0.814 379 S HN 0.286 nan 8.310 nan 0.000 0.477 380 I N 1.329 121.878 120.570 -0.034 0.000 2.361 380 I HA -0.129 4.042 4.170 0.002 0.000 0.251 380 I C 2.050 178.105 176.117 -0.103 0.000 1.133 380 I CA 0.829 62.112 61.300 -0.029 0.000 1.413 380 I CB -0.366 37.633 38.000 -0.002 0.000 1.073 380 I HN 0.147 nan 8.210 nan 0.000 0.424 381 V N 0.718 120.537 119.914 -0.159 0.000 2.548 381 V HA -0.201 3.920 4.120 0.002 0.000 0.249 381 V C 2.103 178.007 176.094 -0.317 0.000 1.055 381 V CA 1.662 63.851 62.300 -0.185 0.000 1.065 381 V CB -0.142 31.587 31.823 -0.158 0.000 0.681 381 V HN 0.342 nan 8.190 nan 0.000 0.462 382 I N -1.976 118.246 120.570 -0.580 0.000 2.628 382 I HA -0.041 4.130 4.170 0.002 0.000 0.255 382 I C 1.834 177.358 176.117 -0.987 0.000 1.119 382 I CA 0.940 61.681 61.300 -0.931 0.000 1.448 382 I CB -0.013 37.022 38.000 -1.609 0.000 1.133 382 I HN 0.368 nan 8.210 nan 0.000 0.438 383 W N 0.464 121.585 121.300 -0.298 0.000 3.008 383 W HA 0.396 5.057 4.660 0.001 0.000 0.355 383 W C 1.458 177.843 176.519 -0.223 0.000 1.095 383 W CA 0.532 57.608 57.345 -0.448 0.000 1.738 383 W CB -0.294 28.770 29.460 -0.659 0.000 1.091 383 W HN 0.314 nan 8.180 nan 0.000 0.574 384 G N 2.231 111.027 108.800 -0.006 0.000 2.168 384 G HA2 -0.317 3.644 3.960 0.002 0.000 0.263 384 G HA3 -0.317 3.644 3.960 0.002 0.000 0.263 384 G C 0.268 175.211 174.900 0.072 0.000 0.977 384 G CA 1.103 46.222 45.100 0.033 0.000 0.659 384 G HN 0.368 nan 8.290 nan 0.000 0.533 385 K N -1.107 119.356 120.400 0.106 0.000 2.533 385 K HA 0.711 5.032 4.320 0.002 0.000 0.272 385 K C -0.328 176.327 176.600 0.092 0.000 0.985 385 K CA -0.356 55.986 56.287 0.091 0.000 0.876 385 K CB 1.071 33.624 32.500 0.089 0.000 1.452 385 K HN 0.461 nan 8.250 nan 0.000 0.439 386 T N -0.528 114.062 114.554 0.062 0.000 2.882 386 T HA 0.502 4.853 4.350 0.002 0.000 0.287 386 T C -2.113 172.556 174.700 -0.052 0.000 0.992 386 T CA -1.474 60.654 62.100 0.046 0.000 1.076 386 T CB 1.076 70.000 68.868 0.093 0.000 0.961 386 T HN 0.505 nan 8.240 nan 0.000 0.490 387 P HA 0.415 nan 4.420 nan 0.000 0.282 387 P C -0.966 176.073 177.300 -0.436 0.000 1.259 387 P CA -0.900 61.963 63.100 -0.395 0.000 0.826 387 P CB 1.039 32.377 31.700 -0.604 0.000 1.064 388 K N 1.100 121.289 120.400 -0.351 0.000 2.298 388 K HA 0.360 4.681 4.320 0.002 0.000 0.280 388 K C -0.292 176.102 176.600 -0.343 0.000 1.032 388 K CA -0.011 56.148 56.287 -0.214 0.000 0.958 388 K CB 0.064 32.475 32.500 -0.149 0.000 0.978 388 K HN 0.306 nan 8.250 nan 0.000 0.472 389 F N 1.873 121.759 119.950 -0.107 0.000 2.397 389 F HA 0.326 4.853 4.527 -0.001 0.000 0.331 389 F C 0.542 176.337 175.800 -0.009 0.000 1.090 389 F CA -0.499 57.440 58.000 -0.102 0.000 1.065 389 F CB 1.300 40.212 39.000 -0.146 0.000 1.184 389 F HN 0.122 nan 8.300 nan 0.000 0.499 390 K N 5.017 125.511 120.400 0.157 0.000 2.521 390 K HA 0.495 4.816 4.320 0.002 0.000 0.248 390 K C -1.349 175.360 176.600 0.181 0.000 0.978 390 K CA -0.381 55.999 56.287 0.156 0.000 0.947 390 K CB 1.539 34.072 32.500 0.056 0.000 1.165 390 K HN 0.509 nan 8.250 nan 0.000 0.445 391 L N 3.734 125.109 121.223 0.252 0.000 2.331 391 L HA 0.482 4.823 4.340 0.002 0.000 0.275 391 L C -1.916 175.147 176.870 0.322 0.000 1.022 391 L CA -2.111 52.823 54.840 0.156 0.000 0.812 391 L CB 1.628 43.566 42.059 -0.202 0.000 1.257 391 L HN 0.348 nan 8.230 nan 0.000 0.435 392 P HA 0.270 nan 4.420 nan 0.000 0.211 392 P C -0.669 176.856 177.300 0.375 0.000 1.833 392 P CA 0.248 63.581 63.100 0.390 0.000 0.938 392 P CB 0.431 32.288 31.700 0.262 0.000 1.808 393 I N 0.075 120.866 120.570 0.369 0.000 2.841 393 I HA 0.283 4.454 4.170 0.002 0.000 0.298 393 I C -1.333 174.767 176.117 -0.028 0.000 1.304 393 I CA -1.044 60.301 61.300 0.074 0.000 1.019 393 I CB 2.881 40.860 38.000 -0.035 0.000 1.282 393 I HN -0.080 nan 8.210 nan 0.000 0.432 394 Q N 6.173 125.821 119.800 -0.253 0.000 2.226 394 Q HA 0.432 4.773 4.340 0.002 0.000 0.256 394 Q C -0.013 176.121 176.000 0.223 0.000 0.962 394 Q CA -1.089 54.560 55.803 -0.257 0.000 0.887 394 Q CB 1.849 30.201 28.738 -0.644 0.000 1.282 394 Q HN 0.460 nan 8.270 nan 0.000 0.449 395 K N 2.022 122.586 120.400 0.273 0.000 2.049 395 K HA -0.334 3.987 4.320 0.002 0.000 0.219 395 K C 1.802 178.616 176.600 0.357 0.000 1.056 395 K CA 2.649 59.145 56.287 0.348 0.000 0.946 395 K CB -0.574 31.964 32.500 0.063 0.000 0.723 395 K HN 0.968 nan 8.250 nan 0.000 0.453 396 E N 0.799 121.112 120.200 0.187 0.000 2.065 396 E HA -0.210 4.141 4.350 0.002 0.000 0.201 396 E C 1.873 178.585 176.600 0.187 0.000 1.016 396 E CA 2.266 58.762 56.400 0.161 0.000 0.818 396 E CB -0.574 29.170 29.700 0.074 0.000 0.749 396 E HN 0.242 nan 8.360 nan 0.000 0.453 397 T N -0.022 114.624 114.554 0.154 0.000 2.652 397 T HA -0.225 4.126 4.350 0.002 0.000 0.267 397 T C 1.144 175.991 174.700 0.245 0.000 1.039 397 T CA 1.539 63.725 62.100 0.144 0.000 1.153 397 T CB -0.733 68.182 68.868 0.078 0.000 0.863 397 T HN 0.432 nan 8.240 nan 0.000 0.428 398 W N 1.788 123.175 121.300 0.145 0.000 2.304 398 W HA -0.181 4.477 4.660 -0.003 0.000 0.328 398 W C 2.519 179.253 176.519 0.358 0.000 1.242 398 W CA 1.730 59.185 57.345 0.184 0.000 1.243 398 W CB -0.684 28.872 29.460 0.161 0.000 1.170 398 W HN 0.347 nan 8.180 nan 0.000 0.460 399 E N -1.106 119.482 120.200 0.647 0.000 2.136 399 E HA -0.309 4.042 4.350 0.002 0.000 0.202 399 E C 2.047 178.778 176.600 0.218 0.000 1.019 399 E CA 2.641 59.427 56.400 0.644 0.000 0.819 399 E CB -0.486 29.578 29.700 0.608 0.000 0.739 399 E HN 0.194 nan 8.360 nan 0.000 0.458 400 T N 0.288 114.937 114.554 0.160 0.000 2.788 400 T HA -0.174 4.177 4.350 0.002 0.000 0.268 400 T C 1.101 175.817 174.700 0.026 0.000 1.044 400 T CA 1.249 63.381 62.100 0.053 0.000 1.139 400 T CB -0.339 68.573 68.868 0.074 0.000 0.867 400 T HN 0.453 nan 8.240 nan 0.000 0.454 401 W N 0.332 121.561 121.300 -0.119 0.000 2.408 401 W HA -0.118 4.545 4.660 0.007 0.000 0.311 401 W C 2.076 178.478 176.519 -0.195 0.000 1.190 401 W CA 0.905 58.132 57.345 -0.196 0.000 1.321 401 W CB -0.806 28.480 29.460 -0.290 0.000 1.143 401 W HN 0.365 nan 8.180 nan 0.000 0.501 402 W N 2.738 123.791 121.300 -0.412 0.000 2.278 402 W HA -0.362 4.297 4.660 -0.001 0.000 0.336 402 W C 2.422 178.717 176.519 -0.373 0.000 1.322 402 W CA 4.013 61.029 57.345 -0.548 0.000 1.217 402 W CB -1.129 27.899 29.460 -0.720 0.000 1.140 402 W HN -0.131 nan 8.180 nan 0.000 0.465 403 T N 1.431 115.650 114.554 -0.559 0.000 2.649 403 T HA -0.359 3.992 4.350 0.002 0.000 0.268 403 T C 1.427 175.901 174.700 -0.376 0.000 1.036 403 T CA 2.609 64.317 62.100 -0.653 0.000 1.157 403 T CB -0.857 67.658 68.868 -0.587 0.000 0.861 403 T HN 0.684 nan 8.240 nan 0.000 0.445 404 E N -0.036 119.960 120.200 -0.341 0.000 2.511 404 E HA -0.049 4.301 4.350 0.002 0.000 0.196 404 E C 0.211 176.629 176.600 -0.305 0.000 1.066 404 E CA -0.064 56.164 56.400 -0.287 0.000 0.871 404 E CB -0.181 29.366 29.700 -0.256 0.000 0.863 404 E HN 0.526 nan 8.360 nan 0.000 0.520 405 Y N 2.410 122.339 120.300 -0.618 0.000 2.313 405 Y HA 0.055 4.608 4.550 0.005 0.000 0.332 405 Y C 1.054 176.732 175.900 -0.372 0.000 1.071 405 Y CA -2.200 55.498 58.100 -0.669 0.000 1.169 405 Y CB 0.536 38.406 38.460 -0.984 0.000 1.192 405 Y HN 0.169 nan 8.280 nan 0.000 0.487 406 W N 3.447 124.445 121.300 -0.503 0.000 2.364 406 W HA -0.105 4.557 4.660 0.003 0.000 0.281 406 W C -0.227 176.013 176.519 -0.465 0.000 1.219 406 W CA 0.370 57.458 57.345 -0.429 0.000 1.220 406 W CB -0.433 28.809 29.460 -0.363 0.000 1.127 406 W HN 0.536 nan 8.180 nan 0.000 0.556 407 Q N 1.312 120.147 119.800 -1.608 0.000 2.259 407 Q HA 0.504 4.845 4.340 0.002 0.000 0.246 407 Q C -0.238 175.506 176.000 -0.427 0.000 0.920 407 Q CA -0.334 54.798 55.803 -1.119 0.000 0.895 407 Q CB 1.573 29.253 28.738 -1.763 0.000 1.220 407 Q HN 0.069 nan 8.270 nan 0.000 0.439 408 A N 2.285 125.010 122.820 -0.160 0.000 2.327 408 A HA 0.588 4.909 4.320 0.002 0.000 0.283 408 A C -0.360 177.249 177.584 0.042 0.000 1.127 408 A CA -0.043 51.996 52.037 0.004 0.000 0.810 408 A CB 1.375 20.402 19.000 0.046 0.000 1.066 408 A HN 0.647 nan 8.150 nan 0.000 0.492 409 T N 2.117 116.742 114.554 0.118 0.000 2.942 409 T HA 0.538 4.889 4.350 0.002 0.000 0.327 409 T C -2.132 172.712 174.700 0.240 0.000 1.360 409 T CA -0.360 61.826 62.100 0.143 0.000 1.055 409 T CB 1.002 69.938 68.868 0.113 0.000 1.261 409 T HN 1.098 nan 8.240 nan 0.000 0.485 410 W N 6.731 128.052 121.300 0.035 0.000 3.211 410 W HA 0.583 5.246 4.660 0.005 0.000 0.335 410 W C -2.442 174.048 176.519 -0.049 0.000 1.113 410 W CA -1.047 56.310 57.345 0.021 0.000 1.235 410 W CB 1.011 30.454 29.460 -0.029 0.000 1.365 410 W HN 0.642 nan 8.180 nan 0.000 0.476 411 I N 7.893 127.872 120.570 -0.985 0.000 2.359 411 I HA 0.238 4.409 4.170 0.002 0.000 0.294 411 I C -1.468 173.702 176.117 -1.577 0.000 0.987 411 I CA -1.999 58.577 61.300 -1.207 0.000 1.225 411 I CB 1.784 38.968 38.000 -1.359 0.000 1.366 411 I HN 0.149 nan 8.210 nan 0.000 0.466 412 P HA -0.125 nan 4.420 nan 0.000 0.288 412 P C -0.396 176.680 177.300 -0.373 0.000 1.320 412 P CA -0.122 62.688 63.100 -0.484 0.000 0.862 412 P CB 0.293 31.949 31.700 -0.073 0.000 1.369 413 E N 0.533 120.687 120.200 -0.077 0.000 2.324 413 E HA 0.111 4.462 4.350 0.002 0.000 0.271 413 E C -0.942 175.704 176.600 0.077 0.000 1.028 413 E CA -0.296 56.081 56.400 -0.039 0.000 0.890 413 E CB 0.155 29.858 29.700 0.004 0.000 1.004 413 E HN 0.316 nan 8.360 nan 0.000 0.431 414 W N 3.913 125.085 121.300 -0.213 0.000 3.167 414 W HA 0.470 5.128 4.660 -0.004 0.000 0.324 414 W C -1.532 174.921 176.519 -0.110 0.000 1.230 414 W CA -0.985 56.267 57.345 -0.154 0.000 1.184 414 W CB 0.377 29.680 29.460 -0.261 0.000 1.414 414 W HN 0.538 nan 8.180 nan 0.000 0.551 415 E N 2.318 122.582 120.200 0.107 0.000 2.195 415 E HA 0.429 4.780 4.350 0.002 0.000 0.271 415 E C -1.753 175.004 176.600 0.260 0.000 0.923 415 E CA -0.782 55.596 56.400 -0.037 0.000 0.790 415 E CB 2.197 31.889 29.700 -0.013 0.000 1.155 415 E HN 0.274 nan 8.360 nan 0.000 0.402 416 F N 4.788 124.741 119.950 0.004 0.000 2.427 416 F HA 0.376 4.893 4.527 -0.016 0.000 0.352 416 F C -1.156 174.729 175.800 0.142 0.000 1.100 416 F CA -0.624 57.512 58.000 0.226 0.000 1.191 416 F CB 1.258 40.351 39.000 0.155 0.000 1.128 416 F HN 0.188 nan 8.300 nan 0.000 0.533 417 V N 7.692 127.326 119.914 -0.466 0.000 2.407 417 V HA 0.294 4.415 4.120 0.002 0.000 0.291 417 V C -0.587 175.030 176.094 -0.795 0.000 1.018 417 V CA -0.803 61.189 62.300 -0.514 0.000 0.842 417 V CB 1.079 32.844 31.823 -0.097 0.000 0.996 417 V HN 0.821 nan 8.190 nan 0.000 0.426 418 N N 4.760 122.951 118.700 -0.847 0.000 2.549 418 N HA 0.168 4.909 4.740 0.002 0.000 0.267 418 N C -0.584 174.848 175.510 -0.129 0.000 1.182 418 N CA 0.246 53.028 53.050 -0.447 0.000 1.019 418 N CB 0.152 38.498 38.487 -0.235 0.000 1.380 418 N HN 0.713 nan 8.380 nan 0.000 0.505 419 T N 4.493 119.030 114.554 -0.028 0.000 3.008 419 T HA 0.329 4.680 4.350 0.002 0.000 0.328 419 T C -2.610 172.130 174.700 0.068 0.000 1.020 419 T CA -1.011 61.104 62.100 0.025 0.000 1.043 419 T CB 1.793 70.688 68.868 0.046 0.000 1.010 419 T HN 0.281 nan 8.240 nan 0.000 0.466 420 P HA 0.205 nan 4.420 nan 0.000 0.268 420 P C -2.337 174.987 177.300 0.041 0.000 1.208 420 P CA -1.037 62.096 63.100 0.055 0.000 0.777 420 P CB -0.168 31.552 31.700 0.033 0.000 0.875 421 P HA 0.195 nan 4.420 nan 0.000 0.286 421 P C -0.817 176.529 177.300 0.076 0.000 1.269 421 P CA -0.015 63.106 63.100 0.034 0.000 0.787 421 P CB 0.694 32.397 31.700 0.006 0.000 0.920 422 L N 3.192 124.470 121.223 0.090 0.000 2.350 422 L HA 0.356 4.697 4.340 0.002 0.000 0.275 422 L C 1.138 178.060 176.870 0.088 0.000 1.099 422 L CA -1.264 53.663 54.840 0.144 0.000 0.808 422 L CB 1.024 43.186 42.059 0.172 0.000 1.149 422 L HN 0.237 nan 8.230 nan 0.000 0.442 423 V N 1.303 121.291 119.914 0.123 0.000 2.775 423 V HA 0.586 4.707 4.120 0.002 0.000 0.299 423 V C -0.148 175.961 176.094 0.025 0.000 1.062 423 V CA -0.268 62.097 62.300 0.110 0.000 1.063 423 V CB 1.099 33.029 31.823 0.178 0.000 0.994 423 V HN 1.017 nan 8.190 nan 0.000 0.483 424 K N 3.979 124.381 120.400 0.004 0.000 2.499 424 K HA 0.744 5.065 4.320 0.002 0.000 0.284 424 K C -1.664 174.933 176.600 -0.004 0.000 1.039 424 K CA -1.060 55.193 56.287 -0.056 0.000 0.873 424 K CB 1.421 33.821 32.500 -0.166 0.000 1.545 424 K HN 0.565 nan 8.250 nan 0.000 0.402 425 L N 1.409 122.621 121.223 -0.019 0.000 2.305 425 L HA 0.428 4.769 4.340 0.002 0.000 0.284 425 L C -0.429 176.502 176.870 0.102 0.000 1.013 425 L CA -0.636 54.235 54.840 0.052 0.000 0.819 425 L CB 0.965 43.020 42.059 -0.007 0.000 1.227 425 L HN 0.668 nan 8.230 nan 0.000 0.417 426 W N 2.915 124.179 121.300 -0.060 0.000 2.937 426 W HA 0.083 4.756 4.660 0.020 0.000 0.245 426 W C 0.150 176.792 176.519 0.206 0.000 1.306 426 W CA -0.358 57.036 57.345 0.082 0.000 1.470 426 W CB -0.628 28.924 29.460 0.153 0.000 1.132 426 W HN 0.476 nan 8.180 nan 0.000 0.675 427 Y N -2.737 117.710 120.300 0.245 0.000 2.732 427 Y HA 0.595 5.145 4.550 -0.000 0.000 0.342 427 Y C -1.134 174.845 175.900 0.131 0.000 1.203 427 Y CA -2.140 56.052 58.100 0.154 0.000 1.092 427 Y CB 0.420 38.958 38.460 0.130 0.000 1.345 427 Y HN -0.103 nan 8.280 nan 0.000 0.458 428 Q N 1.968 121.947 119.800 0.298 0.000 2.340 428 Q HA 0.594 4.935 4.340 0.002 0.000 0.276 428 Q C -1.652 174.491 176.000 0.238 0.000 1.048 428 Q CA -1.004 54.910 55.803 0.187 0.000 0.832 428 Q CB 3.460 32.262 28.738 0.106 0.000 1.373 428 Q HN 0.708 nan 8.270 nan 0.000 0.409 429 L N 1.840 123.183 121.223 0.200 0.000 2.371 429 L HA 0.228 4.569 4.340 0.002 0.000 0.272 429 L C 0.412 177.377 176.870 0.158 0.000 1.124 429 L CA -0.614 54.326 54.840 0.167 0.000 0.816 429 L CB 0.463 42.593 42.059 0.117 0.000 1.129 429 L HN 0.433 nan 8.230 nan 0.000 0.448 430 E N 1.953 122.272 120.200 0.199 0.000 2.414 430 E HA -0.068 4.283 4.350 0.002 0.000 0.263 430 E C 0.396 177.166 176.600 0.283 0.000 1.000 430 E CA 0.077 56.607 56.400 0.217 0.000 0.914 430 E CB 0.914 30.755 29.700 0.235 0.000 0.948 430 E HN 0.274 nan 8.360 nan 0.000 0.444 431 K N 1.674 122.174 120.400 0.167 0.000 2.432 431 K HA -0.016 4.305 4.320 0.002 0.000 0.196 431 K C -0.143 176.550 176.600 0.155 0.000 1.038 431 K CA 0.799 57.179 56.287 0.155 0.000 0.986 431 K CB 0.420 32.962 32.500 0.071 0.000 0.782 431 K HN 0.306 nan 8.250 nan 0.000 0.485 432 E N 0.160 120.369 120.200 0.015 0.000 2.352 432 E HA 0.216 4.567 4.350 0.002 0.000 0.280 432 E C -2.769 173.365 176.600 -0.777 0.000 0.930 432 E CA -2.281 53.928 56.400 -0.317 0.000 0.765 432 E CB 1.735 31.334 29.700 -0.168 0.000 1.219 432 E HN -0.116 nan 8.360 nan 0.000 0.434 433 P HA 0.015 nan 4.420 nan 0.000 0.268 433 P C -0.137 176.923 177.300 -0.400 0.000 1.189 433 P CA 0.384 62.806 63.100 -1.130 0.000 0.771 433 P CB 0.620 31.925 31.700 -0.658 0.000 0.822 434 I N 1.717 122.183 120.570 -0.174 0.000 2.353 434 I HA 0.176 4.347 4.170 0.002 0.000 0.293 434 I C 0.396 176.494 176.117 -0.033 0.000 0.992 434 I CA -1.054 60.209 61.300 -0.061 0.000 1.268 434 I CB 1.410 39.418 38.000 0.013 0.000 1.387 434 I HN 0.042 nan 8.210 nan 0.000 0.478 435 V N 5.155 125.051 119.914 -0.029 0.000 2.546 435 V HA 0.538 4.659 4.120 0.002 0.000 0.284 435 V C 1.093 177.189 176.094 0.004 0.000 1.050 435 V CA 0.194 62.486 62.300 -0.013 0.000 0.981 435 V CB 0.593 32.406 31.823 -0.017 0.000 0.990 435 V HN 1.134 nan 8.190 nan 0.000 0.474 436 G N 3.163 111.970 108.800 0.012 0.000 2.195 436 G HA2 -0.080 3.881 3.960 0.002 0.000 0.246 436 G HA3 -0.080 3.881 3.960 0.002 0.000 0.246 436 G C 0.314 175.233 174.900 0.031 0.000 0.984 436 G CA 0.147 45.258 45.100 0.018 0.000 0.633 436 G HN 1.502 nan 8.290 nan 0.000 0.525 437 A N 0.108 122.952 122.820 0.040 0.000 2.306 437 A HA 0.741 5.062 4.320 0.002 0.000 0.314 437 A C 0.323 177.957 177.584 0.084 0.000 1.164 437 A CA 0.418 52.495 52.037 0.066 0.000 0.822 437 A CB 0.807 19.849 19.000 0.071 0.000 1.130 437 A HN 0.621 nan 8.150 nan 0.000 0.496 438 E N 0.683 120.951 120.200 0.114 0.000 2.408 438 E HA 0.279 4.630 4.350 0.002 0.000 0.259 438 E C -0.707 175.981 176.600 0.145 0.000 1.110 438 E CA 0.175 56.626 56.400 0.085 0.000 0.929 438 E CB 0.501 30.231 29.700 0.050 0.000 0.971 438 E HN 0.524 nan 8.360 nan 0.000 0.438 439 T N 3.763 118.343 114.554 0.044 0.000 2.791 439 T HA 0.383 4.734 4.350 0.002 0.000 0.288 439 T C -1.171 173.574 174.700 0.075 0.000 0.999 439 T CA -0.435 61.739 62.100 0.124 0.000 0.952 439 T CB 0.082 69.036 68.868 0.144 0.000 0.938 439 T HN 0.230 nan 8.240 nan 0.000 0.444 440 F N 2.345 122.293 119.950 -0.004 0.000 2.443 440 F HA 0.546 5.074 4.527 0.003 0.000 0.335 440 F C -0.391 175.380 175.800 -0.049 0.000 1.104 440 F CA -1.263 56.772 58.000 0.058 0.000 1.013 440 F CB 1.079 40.016 39.000 -0.105 0.000 1.136 440 F HN 0.465 nan 8.300 nan 0.000 0.470 441 Y N 2.433 122.881 120.300 0.247 0.000 2.388 441 Y HA 0.510 5.062 4.550 0.002 0.000 0.328 441 Y C -0.006 176.011 175.900 0.194 0.000 0.963 441 Y CA -1.349 56.845 58.100 0.158 0.000 1.240 441 Y CB 1.277 39.788 38.460 0.086 0.000 1.118 441 Y HN 0.442 nan 8.280 nan 0.000 0.484 442 V N 0.053 120.108 119.914 0.235 0.000 2.973 442 V HA 0.757 4.878 4.120 0.002 0.000 0.314 442 V C -0.448 175.738 176.094 0.153 0.000 1.066 442 V CA -0.244 62.184 62.300 0.213 0.000 1.021 442 V CB 2.168 34.079 31.823 0.148 0.000 1.076 442 V HN 0.719 nan 8.190 nan 0.000 0.462 456 G N 0.510 109.374 108.800 0.107 0.000 2.321 456 G HA2 0.766 4.727 3.960 0.002 0.000 0.296 456 G HA3 0.766 4.727 3.960 0.002 0.000 0.296 456 G C -1.387 173.640 174.900 0.212 0.000 1.287 456 G CA 0.435 45.596 45.100 0.102 0.000 0.846 456 G HN 2.182 nan 8.290 nan 0.000 0.508 457 Y N -2.291 118.073 120.300 0.106 0.000 2.624 457 Y HA 0.795 5.347 4.550 0.003 0.000 0.334 457 Y C -1.292 174.685 175.900 0.129 0.000 1.155 457 Y CA -1.531 56.664 58.100 0.159 0.000 1.046 457 Y CB 1.375 39.986 38.460 0.252 0.000 1.316 457 Y HN 0.743 nan 8.280 nan 0.000 0.457 458 V N 2.093 122.191 119.914 0.308 0.000 2.789 458 V HA 0.788 4.909 4.120 0.002 0.000 0.311 458 V C -0.348 175.879 176.094 0.222 0.000 1.073 458 V CA -0.151 62.226 62.300 0.128 0.000 0.921 458 V CB 1.913 33.748 31.823 0.020 0.000 1.009 458 V HN 1.125 nan 8.190 nan 0.000 0.426 459 T N -0.717 113.870 114.554 0.056 0.000 2.930 459 T HA 0.313 4.664 4.350 0.002 0.000 0.290 459 T C 0.963 175.630 174.700 -0.054 0.000 1.052 459 T CA -0.373 61.690 62.100 -0.062 0.000 1.017 459 T CB 1.633 70.223 68.868 -0.464 0.000 1.137 459 T HN 0.689 nan 8.240 nan 0.000 0.511 460 N N 1.408 120.098 118.700 -0.016 0.000 2.430 460 N HA -0.155 4.586 4.740 0.002 0.000 0.186 460 N C 1.120 176.602 175.510 -0.047 0.000 1.032 460 N CA 0.770 53.811 53.050 -0.015 0.000 0.893 460 N CB -0.371 38.138 38.487 0.037 0.000 0.957 460 N HN 0.683 nan 8.380 nan 0.000 0.442 461 R N -0.608 119.845 120.500 -0.079 0.000 2.356 461 R HA 0.195 4.536 4.340 0.002 0.000 0.234 461 R C 0.921 177.186 176.300 -0.058 0.000 0.929 461 R CA 0.415 56.476 56.100 -0.066 0.000 1.084 461 R CB 0.143 30.398 30.300 -0.075 0.000 1.105 461 R HN 0.424 nan 8.270 nan 0.000 0.515 462 G N 1.415 110.178 108.800 -0.062 0.000 2.268 462 G HA2 -0.322 3.639 3.960 0.002 0.000 0.240 462 G HA3 -0.322 3.639 3.960 0.002 0.000 0.240 462 G C 0.243 175.112 174.900 -0.051 0.000 1.010 462 G CA -0.255 44.813 45.100 -0.053 0.000 0.618 462 G HN 0.279 nan 8.290 nan 0.000 0.516 463 R N 1.085 121.559 120.500 -0.043 0.000 2.694 463 R HA 0.487 4.828 4.340 0.002 0.000 0.268 463 R C 0.568 176.828 176.300 -0.067 0.000 1.061 463 R CA 0.935 57.029 56.100 -0.010 0.000 1.133 463 R CB 0.256 30.604 30.300 0.080 0.000 1.020 463 R HN 0.761 nan 8.270 nan 0.000 0.475 464 Q N 0.444 120.120 119.800 -0.206 0.000 2.545 464 Q HA 0.410 4.751 4.340 0.002 0.000 0.273 464 Q C -1.764 173.913 176.000 -0.538 0.000 0.975 464 Q CA -1.148 54.333 55.803 -0.536 0.000 0.876 464 Q CB 2.188 30.751 28.738 -0.292 0.000 1.472 464 Q HN 0.532 nan 8.270 nan 0.000 0.389 465 K N 1.369 121.303 120.400 -0.776 0.000 2.513 465 K HA 0.573 4.894 4.320 0.002 0.000 0.251 465 K C -1.939 174.522 176.600 -0.231 0.000 0.939 465 K CA -0.661 55.410 56.287 -0.360 0.000 0.793 465 K CB 2.544 34.938 32.500 -0.176 0.000 1.241 465 K HN 0.509 nan 8.250 nan 0.000 0.431 466 V N 5.104 124.953 119.914 -0.109 0.000 2.350 466 V HA 0.358 4.479 4.120 0.002 0.000 0.285 466 V C -0.324 175.763 176.094 -0.012 0.000 1.014 466 V CA -0.767 61.503 62.300 -0.051 0.000 0.831 466 V CB 1.227 33.022 31.823 -0.047 0.000 1.000 466 V HN 0.591 nan 8.190 nan 0.000 0.433 467 V N 2.242 122.166 119.914 0.017 0.000 2.769 467 V HA 0.887 5.008 4.120 0.002 0.000 0.312 467 V C 0.143 176.256 176.094 0.032 0.000 1.058 467 V CA -0.474 61.844 62.300 0.030 0.000 0.952 467 V CB 2.039 33.892 31.823 0.051 0.000 1.019 467 V HN 0.869 nan 8.190 nan 0.000 0.445 468 T N 2.410 116.982 114.554 0.029 0.000 2.756 468 T HA 0.722 5.073 4.350 0.002 0.000 0.290 468 T C -0.745 173.975 174.700 0.034 0.000 0.985 468 T CA -0.490 61.627 62.100 0.028 0.000 0.955 468 T CB 0.820 69.700 68.868 0.020 0.000 0.930 468 T HN 0.562 nan 8.240 nan 0.000 0.451 469 L N 4.297 125.542 121.223 0.037 0.000 2.295 469 L HA 0.523 4.864 4.340 0.002 0.000 0.285 469 L C 0.903 177.792 176.870 0.031 0.000 1.035 469 L CA -0.235 54.628 54.840 0.039 0.000 0.806 469 L CB 1.627 43.714 42.059 0.048 0.000 1.214 469 L HN 0.932 nan 8.230 nan 0.000 0.426 470 T N -1.701 112.870 114.554 0.029 0.000 2.829 470 T HA 0.516 4.867 4.350 0.002 0.000 0.282 470 T C 0.118 174.831 174.700 0.022 0.000 0.990 470 T CA -0.483 61.631 62.100 0.023 0.000 1.028 470 T CB 1.254 70.134 68.868 0.020 0.000 0.951 470 T HN 0.662 nan 8.240 nan 0.000 0.460 471 D N -1.054 119.358 120.400 0.019 0.000 2.946 471 D HA -0.179 4.462 4.640 0.002 0.000 0.202 471 D C 0.520 176.832 176.300 0.020 0.000 1.068 471 D CA 1.936 55.947 54.000 0.018 0.000 1.011 471 D CB -1.564 39.246 40.800 0.016 0.000 1.105 471 D HN 0.803 nan 8.370 nan 0.000 0.425 472 T N -0.327 114.242 114.554 0.026 0.000 2.734 472 T HA 0.392 4.743 4.350 0.002 0.000 0.314 472 T C 0.428 175.143 174.700 0.025 0.000 1.057 472 T CA 0.799 62.917 62.100 0.030 0.000 1.047 472 T CB 0.597 69.488 68.868 0.039 0.000 0.991 472 T HN 0.275 nan 8.240 nan 0.000 0.540 473 T N 1.350 115.920 114.554 0.027 0.000 2.887 473 T HA 0.391 4.742 4.350 0.002 0.000 0.288 473 T C 1.280 175.991 174.700 0.019 0.000 1.021 473 T CA -1.100 61.008 62.100 0.015 0.000 1.000 473 T CB 1.304 70.174 68.868 0.003 0.000 1.034 473 T HN 0.586 nan 8.240 nan 0.000 0.467 474 N N 1.739 120.443 118.700 0.008 0.000 2.165 474 N HA -0.274 4.467 4.740 0.002 0.000 0.200 474 N C 1.759 177.289 175.510 0.034 0.000 0.991 474 N CA 2.201 55.260 53.050 0.016 0.000 0.904 474 N CB -0.414 38.071 38.487 -0.002 0.000 1.068 474 N HN 0.765 nan 8.380 nan 0.000 0.530 475 Q N 0.078 119.880 119.800 0.002 0.000 2.079 475 Q HA -0.024 4.317 4.340 0.002 0.000 0.200 475 Q C 1.881 177.984 176.000 0.172 0.000 0.974 475 Q CA 1.033 56.870 55.803 0.056 0.000 0.840 475 Q CB -0.072 28.531 28.738 -0.226 0.000 0.898 475 Q HN 0.206 nan 8.270 nan 0.000 0.430 476 K N -0.001 120.467 120.400 0.115 0.000 2.362 476 K HA -0.063 4.258 4.320 0.002 0.000 0.200 476 K C 1.775 178.433 176.600 0.098 0.000 1.046 476 K CA 1.132 57.488 56.287 0.115 0.000 0.952 476 K CB 0.034 32.580 32.500 0.076 0.000 0.753 476 K HN 0.098 nan 8.250 nan 0.000 0.466 477 T N 0.144 114.753 114.554 0.090 0.000 2.851 477 T HA -0.046 4.305 4.350 0.002 0.000 0.262 477 T C 1.221 175.982 174.700 0.101 0.000 1.043 477 T CA 1.033 63.184 62.100 0.085 0.000 1.140 477 T CB -0.079 68.831 68.868 0.071 0.000 0.872 477 T HN 0.322 nan 8.240 nan 0.000 0.446 478 E N 0.837 121.109 120.200 0.120 0.000 2.085 478 E HA -0.108 4.243 4.350 0.002 0.000 0.194 478 E C 2.056 178.721 176.600 0.108 0.000 0.994 478 E CA 0.991 57.469 56.400 0.130 0.000 0.801 478 E CB -0.285 29.525 29.700 0.182 0.000 0.743 478 E HN 0.387 nan 8.360 nan 0.000 0.453 479 L N 0.692 121.977 121.223 0.103 0.000 2.072 479 L HA -0.181 4.160 4.340 0.002 0.000 0.205 479 L C 2.614 179.535 176.870 0.086 0.000 1.079 479 L CA 0.888 55.761 54.840 0.057 0.000 0.752 479 L CB -0.331 41.742 42.059 0.024 0.000 0.906 479 L HN 0.058 nan 8.230 nan 0.000 0.436 480 Q N 0.020 119.882 119.800 0.104 0.000 2.096 480 Q HA -0.285 4.056 4.340 0.002 0.000 0.208 480 Q C 2.402 178.500 176.000 0.162 0.000 0.993 480 Q CA 2.064 57.958 55.803 0.152 0.000 0.862 480 Q CB -0.479 28.334 28.738 0.125 0.000 0.915 480 Q HN 0.584 nan 8.270 nan 0.000 0.416 481 A N 1.186 124.082 122.820 0.126 0.000 1.849 481 A HA -0.219 4.102 4.320 0.002 0.000 0.217 481 A C 2.154 179.786 177.584 0.081 0.000 1.202 481 A CA 1.729 53.842 52.037 0.127 0.000 0.629 481 A CB -0.972 18.103 19.000 0.125 0.000 0.834 481 A HN 0.372 nan 8.150 nan 0.000 0.447 482 I N -1.857 118.745 120.570 0.054 0.000 2.248 482 I HA -0.301 3.870 4.170 0.002 0.000 0.248 482 I C 2.523 178.634 176.117 -0.010 0.000 1.107 482 I CA 2.019 63.312 61.300 -0.011 0.000 1.373 482 I CB -0.512 37.480 38.000 -0.013 0.000 1.055 482 I HN 0.573 nan 8.210 nan 0.000 0.418 483 Y N 1.554 121.801 120.300 -0.088 0.000 2.114 483 Y HA -0.252 4.298 4.550 0.001 0.000 0.284 483 Y C 2.404 178.236 175.900 -0.113 0.000 1.143 483 Y CA 1.353 59.393 58.100 -0.100 0.000 1.135 483 Y CB -0.711 37.714 38.460 -0.058 0.000 0.980 483 Y HN 0.007 nan 8.280 nan 0.000 0.499 484 L N -0.197 120.941 121.223 -0.141 0.000 1.978 484 L HA -0.353 3.988 4.340 0.002 0.000 0.218 484 L C 2.601 179.264 176.870 -0.344 0.000 1.075 484 L CA 1.995 56.706 54.840 -0.216 0.000 0.767 484 L CB -1.024 41.071 42.059 0.059 0.000 0.890 484 L HN 0.422 nan 8.230 nan 0.000 0.434 485 A N -0.297 122.280 122.820 -0.404 0.000 1.892 485 A HA -0.270 4.051 4.320 0.002 0.000 0.218 485 A C 2.166 179.231 177.584 -0.865 0.000 1.188 485 A CA 2.001 53.522 52.037 -0.860 0.000 0.631 485 A CB -0.901 17.663 19.000 -0.727 0.000 0.822 485 A HN 0.502 nan 8.150 nan 0.000 0.447 486 L N -1.323 119.574 121.223 -0.544 0.000 2.042 486 L HA -0.294 4.047 4.340 0.002 0.000 0.210 486 L C 2.902 179.544 176.870 -0.379 0.000 1.076 486 L CA 2.021 56.611 54.840 -0.416 0.000 0.749 486 L CB -0.514 41.407 42.059 -0.229 0.000 0.893 486 L HN 0.571 nan 8.230 nan 0.000 0.432 487 Q N 0.170 119.709 119.800 -0.435 0.000 1.948 487 Q HA -0.258 4.083 4.340 0.002 0.000 0.205 487 Q C 1.779 177.634 176.000 -0.242 0.000 0.992 487 Q CA 2.371 57.955 55.803 -0.365 0.000 0.849 487 Q CB -0.012 28.437 28.738 -0.483 0.000 0.918 487 Q HN 0.375 nan 8.270 nan 0.000 0.421 488 D N 0.288 120.546 120.400 -0.236 0.000 2.221 488 D HA -0.080 4.561 4.640 0.002 0.000 0.204 488 D C 0.637 176.911 176.300 -0.043 0.000 0.982 488 D CA 0.993 54.942 54.000 -0.085 0.000 0.857 488 D CB -0.355 40.466 40.800 0.034 0.000 0.934 488 D HN 0.318 nan 8.370 nan 0.000 0.475 489 S N -0.475 115.071 115.700 -0.256 0.000 2.608 489 S HA 0.486 4.957 4.470 0.002 0.000 0.261 489 S C 0.852 175.432 174.600 -0.034 0.000 1.314 489 S CA -0.468 57.659 58.200 -0.121 0.000 0.992 489 S CB 1.412 64.282 63.200 -0.550 0.000 0.935 489 S HN 0.149 nan 8.310 nan 0.000 0.564 490 G N -0.569 108.257 108.800 0.043 0.000 2.510 490 G HA2 0.436 4.397 3.960 0.002 0.000 0.280 490 G HA3 0.436 4.397 3.960 0.002 0.000 0.280 490 G C 0.453 175.354 174.900 0.001 0.000 1.386 490 G CA -0.830 44.287 45.100 0.028 0.000 1.047 490 G HN 0.552 nan 8.290 nan 0.000 0.527 491 L N -0.534 120.696 121.223 0.011 0.000 2.261 491 L HA 0.073 4.414 4.340 0.002 0.000 0.216 491 L C 1.299 178.175 176.870 0.011 0.000 1.114 491 L CA 1.379 56.224 54.840 0.008 0.000 0.777 491 L CB -0.393 41.676 42.059 0.017 0.000 0.910 491 L HN 0.463 nan 8.230 nan 0.000 0.440 492 E N -1.330 118.885 120.200 0.024 0.000 2.210 492 E HA 0.605 4.956 4.350 0.002 0.000 0.266 492 E C -1.334 175.295 176.600 0.049 0.000 0.883 492 E CA -0.443 55.978 56.400 0.035 0.000 0.761 492 E CB 2.413 32.139 29.700 0.043 0.000 1.156 492 E HN -0.197 nan 8.360 nan 0.000 0.412 493 V N 1.673 121.611 119.914 0.040 0.000 2.932 493 V HA 0.437 4.558 4.120 0.002 0.000 0.307 493 V C -0.718 175.427 176.094 0.085 0.000 1.147 493 V CA -1.265 61.068 62.300 0.054 0.000 0.951 493 V CB 2.159 33.931 31.823 -0.085 0.000 1.031 493 V HN 0.576 nan 8.190 nan 0.000 0.426 494 N N 2.696 121.481 118.700 0.142 0.000 2.362 494 N HA 0.764 5.505 4.740 0.002 0.000 0.298 494 N C -1.146 174.418 175.510 0.089 0.000 1.048 494 N CA -0.339 52.814 53.050 0.171 0.000 0.858 494 N CB 2.564 41.171 38.487 0.201 0.000 1.218 494 N HN 0.674 nan 8.380 nan 0.000 0.488 495 I N 1.126 121.691 120.570 -0.008 0.000 2.582 495 I HA 0.368 4.539 4.170 0.002 0.000 0.292 495 I C -0.685 175.348 176.117 -0.141 0.000 1.066 495 I CA -1.018 60.236 61.300 -0.077 0.000 1.053 495 I CB 2.394 40.321 38.000 -0.122 0.000 1.241 495 I HN -0.026 nan 8.210 nan 0.000 0.421 496 V N 4.271 124.056 119.914 -0.215 0.000 2.378 496 V HA 0.496 4.617 4.120 0.002 0.000 0.288 496 V C -0.112 175.903 176.094 -0.132 0.000 1.016 496 V CA -0.337 61.809 62.300 -0.257 0.000 0.840 496 V CB 1.705 33.166 31.823 -0.604 0.000 0.994 496 V HN 0.815 nan 8.190 nan 0.000 0.431 497 T N 1.590 116.107 114.554 -0.063 0.000 2.916 497 T HA 0.408 4.759 4.350 0.002 0.000 0.292 497 T C 0.296 174.967 174.700 -0.048 0.000 1.055 497 T CA -0.305 61.795 62.100 0.000 0.000 1.009 497 T CB 1.857 70.763 68.868 0.062 0.000 1.118 497 T HN 0.828 nan 8.240 nan 0.000 0.497 498 D N 0.716 121.103 120.400 -0.022 0.000 2.392 498 D HA 0.101 4.742 4.640 0.002 0.000 0.206 498 D C 0.886 177.369 176.300 0.305 0.000 1.046 498 D CA -0.002 53.926 54.000 -0.120 0.000 0.865 498 D CB -0.235 40.517 40.800 -0.080 0.000 0.969 498 D HN 0.322 nan 8.370 nan 0.000 0.509 499 S N 0.630 116.507 115.700 0.295 0.000 2.466 499 S HA -0.026 4.445 4.470 0.002 0.000 0.286 499 S C 1.016 175.843 174.600 0.377 0.000 1.221 499 S CA -0.310 58.078 58.200 0.314 0.000 1.091 499 S CB 0.734 64.067 63.200 0.221 0.000 0.956 499 S HN 0.253 nan 8.310 nan 0.000 0.501 500 Q N 4.189 124.166 119.800 0.296 0.000 2.230 500 Q HA -0.108 4.233 4.340 0.002 0.000 0.202 500 Q C 1.342 177.344 176.000 0.003 0.000 0.963 500 Q CA 1.165 56.929 55.803 -0.064 0.000 0.866 500 Q CB -0.149 28.426 28.738 -0.272 0.000 0.931 500 Q HN 1.009 nan 8.270 nan 0.000 0.452 501 Y N 0.388 120.681 120.300 -0.012 0.000 2.070 501 Y HA -0.211 4.340 4.550 0.003 0.000 0.279 501 Y C 2.067 177.969 175.900 0.003 0.000 1.134 501 Y CA 1.889 59.986 58.100 -0.005 0.000 1.113 501 Y CB -0.838 37.635 38.460 0.022 0.000 0.981 501 Y HN 0.125 nan 8.280 nan 0.000 0.487 502 A N 0.699 123.359 122.820 -0.267 0.000 1.917 502 A HA -0.234 4.087 4.320 0.002 0.000 0.219 502 A C 2.321 179.770 177.584 -0.226 0.000 1.182 502 A CA 1.908 53.724 52.037 -0.369 0.000 0.633 502 A CB -1.460 17.472 19.000 -0.113 0.000 0.819 502 A HN 0.663 nan 8.150 nan 0.000 0.448 503 L N -0.130 121.035 121.223 -0.097 0.000 1.956 503 L HA -0.150 4.190 4.340 0.002 0.000 0.216 503 L C 2.546 179.360 176.870 -0.092 0.000 1.073 503 L CA 2.609 57.409 54.840 -0.066 0.000 0.762 503 L CB -1.007 41.029 42.059 -0.038 0.000 0.889 503 L HN 0.352 nan 8.230 nan 0.000 0.433 504 G N -0.295 108.438 108.800 -0.111 0.000 2.529 504 G HA2 -0.333 3.628 3.960 0.002 0.000 0.219 504 G HA3 -0.333 3.628 3.960 0.002 0.000 0.219 504 G C 1.610 176.487 174.900 -0.038 0.000 1.177 504 G CA 1.427 46.484 45.100 -0.071 0.000 0.773 504 G HN 0.510 nan 8.290 nan 0.000 0.573 505 I N 0.530 121.002 120.570 -0.162 0.000 2.113 505 I HA -0.251 3.920 4.170 0.002 0.000 0.242 505 I C 2.741 178.801 176.117 -0.096 0.000 1.064 505 I CA 1.394 62.569 61.300 -0.208 0.000 1.320 505 I CB -0.210 37.483 38.000 -0.512 0.000 1.028 505 I HN 0.201 nan 8.210 nan 0.000 0.406 506 I N -0.351 120.163 120.570 -0.092 0.000 2.406 506 I HA -0.244 3.927 4.170 0.002 0.000 0.249 506 I C 2.524 178.693 176.117 0.087 0.000 1.122 506 I CA 0.983 62.284 61.300 0.002 0.000 1.431 506 I CB -0.450 37.527 38.000 -0.038 0.000 1.087 506 I HN 0.289 nan 8.210 nan 0.000 0.424 507 Q N 0.864 120.695 119.800 0.052 0.000 2.181 507 Q HA -0.217 4.124 4.340 0.002 0.000 0.205 507 Q C 2.450 178.535 176.000 0.141 0.000 0.980 507 Q CA 1.698 57.547 55.803 0.077 0.000 0.862 507 Q CB -0.252 28.511 28.738 0.042 0.000 0.905 507 Q HN 0.589 nan 8.270 nan 0.000 0.429 508 A N 0.568 123.504 122.820 0.193 0.000 2.024 508 A HA -0.217 4.104 4.320 0.002 0.000 0.220 508 A C 0.673 178.463 177.584 0.343 0.000 1.164 508 A CA 1.129 53.352 52.037 0.311 0.000 0.643 508 A CB -0.172 19.028 19.000 0.333 0.000 0.806 508 A HN 0.512 nan 8.150 nan 0.000 0.451 509 Q N -1.824 118.123 119.800 0.245 0.000 2.470 509 Q HA -0.111 4.230 4.340 0.002 0.000 0.290 509 Q C -2.379 173.665 176.000 0.074 0.000 1.353 509 Q CA 0.355 56.261 55.803 0.172 0.000 0.787 509 Q CB -1.839 26.981 28.738 0.137 0.000 1.158 509 Q HN 0.644 nan 8.270 nan 0.000 0.426 510 P HA 0.024 nan 4.420 nan 0.000 0.272 510 P C -0.093 177.243 177.300 0.061 0.000 1.230 510 P CA 0.432 63.575 63.100 0.071 0.000 0.788 510 P CB 0.662 32.423 31.700 0.102 0.000 0.949 511 D N -1.246 119.141 120.400 -0.022 0.000 2.582 511 D HA 0.110 4.751 4.640 0.002 0.000 0.246 511 D C -0.094 176.127 176.300 -0.132 0.000 1.334 511 D CA -0.159 53.782 54.000 -0.099 0.000 0.805 511 D CB -0.013 40.657 40.800 -0.216 0.000 1.087 511 D HN 0.525 nan 8.370 nan 0.000 0.499 512 Q N -1.859 117.912 119.800 -0.048 0.000 2.503 512 Q HA 0.630 4.971 4.340 0.002 0.000 0.268 512 Q C -1.523 174.495 176.000 0.029 0.000 0.982 512 Q CA -0.949 54.832 55.803 -0.036 0.000 0.907 512 Q CB 1.656 30.377 28.738 -0.029 0.000 1.467 512 Q HN -0.041 nan 8.270 nan 0.000 0.394 513 S N -0.260 115.458 115.700 0.031 0.000 2.570 513 S HA 0.323 4.794 4.470 0.002 0.000 0.270 513 S C -0.566 174.064 174.600 0.050 0.000 1.149 513 S CA -0.198 58.059 58.200 0.096 0.000 0.837 513 S CB 1.588 64.883 63.200 0.157 0.000 1.124 513 S HN 0.794 nan 8.310 nan 0.000 0.465 514 E N 1.062 121.294 120.200 0.054 0.000 2.371 514 E HA 0.191 4.542 4.350 0.002 0.000 0.194 514 E C 0.533 177.152 176.600 0.031 0.000 1.012 514 E CA 0.372 56.786 56.400 0.024 0.000 0.860 514 E CB 0.012 29.716 29.700 0.006 0.000 0.811 514 E HN 0.252 nan 8.360 nan 0.000 0.502 515 S N 0.417 116.155 115.700 0.063 0.000 2.452 515 S HA 0.068 4.539 4.470 0.002 0.000 0.284 515 S C 0.856 175.454 174.600 -0.002 0.000 1.171 515 S CA -0.600 57.628 58.200 0.048 0.000 1.064 515 S CB 0.971 64.230 63.200 0.099 0.000 0.967 515 S HN 0.353 nan 8.310 nan 0.000 0.484 516 E N 4.673 124.857 120.200 -0.026 0.000 2.038 516 E HA -0.178 4.173 4.350 0.002 0.000 0.195 516 E C 1.736 178.265 176.600 -0.118 0.000 1.000 516 E CA 1.323 57.685 56.400 -0.063 0.000 0.803 516 E CB -0.184 29.483 29.700 -0.055 0.000 0.750 516 E HN 0.859 nan 8.360 nan 0.000 0.448 517 L N 0.619 121.769 121.223 -0.122 0.000 1.976 517 L HA -0.286 4.055 4.340 0.002 0.000 0.223 517 L C 2.610 179.326 176.870 -0.256 0.000 1.081 517 L CA 1.895 56.608 54.840 -0.211 0.000 0.784 517 L CB -0.495 41.491 42.059 -0.122 0.000 0.896 517 L HN 0.170 nan 8.230 nan 0.000 0.438 518 V N 0.190 120.012 119.914 -0.154 0.000 2.380 518 V HA -0.361 3.760 4.120 0.002 0.000 0.251 518 V C 2.221 178.219 176.094 -0.160 0.000 1.063 518 V CA 2.236 64.442 62.300 -0.157 0.000 1.055 518 V CB -0.852 30.902 31.823 -0.116 0.000 0.657 518 V HN 0.542 nan 8.190 nan 0.000 0.455 519 N N -0.270 118.347 118.700 -0.139 0.000 2.166 519 N HA -0.208 4.533 4.740 0.002 0.000 0.186 519 N C 1.901 177.306 175.510 -0.175 0.000 1.019 519 N CA 1.499 54.467 53.050 -0.137 0.000 0.856 519 N CB -0.123 38.298 38.487 -0.111 0.000 0.993 519 N HN 0.656 nan 8.380 nan 0.000 0.426 520 Q N 0.871 120.520 119.800 -0.252 0.000 2.020 520 Q HA -0.075 4.266 4.340 0.002 0.000 0.202 520 Q C 2.272 178.136 176.000 -0.227 0.000 0.982 520 Q CA 1.036 56.656 55.803 -0.305 0.000 0.838 520 Q CB -0.161 28.169 28.738 -0.679 0.000 0.899 520 Q HN 0.401 nan 8.270 nan 0.000 0.423 521 I N 0.908 121.297 120.570 -0.302 0.000 2.118 521 I HA -0.333 3.838 4.170 0.002 0.000 0.241 521 I C 2.358 178.381 176.117 -0.157 0.000 1.070 521 I CA 1.374 62.600 61.300 -0.124 0.000 1.327 521 I CB -0.514 37.400 38.000 -0.144 0.000 1.034 521 I HN 0.206 nan 8.210 nan 0.000 0.405 522 I N 0.478 120.939 120.570 -0.182 0.000 2.185 522 I HA -0.311 3.859 4.170 0.002 0.000 0.246 522 I C 2.636 178.632 176.117 -0.203 0.000 1.088 522 I CA 1.406 62.585 61.300 -0.201 0.000 1.347 522 I CB -0.509 37.427 38.000 -0.106 0.000 1.041 522 I HN 0.302 nan 8.210 nan 0.000 0.415 523 E N 0.414 120.529 120.200 -0.141 0.000 2.077 523 E HA -0.215 4.136 4.350 0.002 0.000 0.193 523 E C 2.221 178.779 176.600 -0.070 0.000 0.989 523 E CA 1.014 57.358 56.400 -0.094 0.000 0.800 523 E CB -0.300 29.363 29.700 -0.061 0.000 0.746 523 E HN 0.520 nan 8.360 nan 0.000 0.452 524 Q N 0.537 120.304 119.800 -0.055 0.000 2.061 524 Q HA -0.127 4.214 4.340 0.002 0.000 0.204 524 Q C 2.579 178.504 176.000 -0.124 0.000 0.984 524 Q CA 0.964 56.736 55.803 -0.052 0.000 0.846 524 Q CB -0.525 28.208 28.738 -0.009 0.000 0.902 524 Q HN 0.335 nan 8.270 nan 0.000 0.421 525 L N 0.056 121.129 121.223 -0.249 0.000 2.042 525 L HA -0.195 4.146 4.340 0.002 0.000 0.210 525 L C 2.413 179.124 176.870 -0.265 0.000 1.076 525 L CA 0.961 55.546 54.840 -0.425 0.000 0.749 525 L CB -0.476 40.986 42.059 -0.995 0.000 0.893 525 L HN 0.175 nan 8.230 nan 0.000 0.432 526 I N -0.515 119.973 120.570 -0.137 0.000 2.361 526 I HA -0.245 3.926 4.170 0.002 0.000 0.251 526 I C 2.361 178.547 176.117 0.116 0.000 1.133 526 I CA 0.940 62.324 61.300 0.140 0.000 1.413 526 I CB -0.277 37.851 38.000 0.214 0.000 1.073 526 I HN 0.233 nan 8.210 nan 0.000 0.424 527 K N 0.909 121.332 120.400 0.039 0.000 2.116 527 K HA 0.046 4.367 4.320 0.002 0.000 0.203 527 K C 0.888 177.504 176.600 0.026 0.000 1.052 527 K CA 0.617 56.928 56.287 0.039 0.000 0.952 527 K CB -0.263 32.246 32.500 0.015 0.000 0.729 527 K HN 0.194 nan 8.250 nan 0.000 0.446 528 K N 1.415 121.813 120.400 -0.003 0.000 2.285 528 K HA -0.032 4.289 4.320 0.002 0.000 0.255 528 K C 1.231 177.851 176.600 0.033 0.000 1.000 528 K CA 0.253 56.540 56.287 -0.000 0.000 0.887 528 K CB 0.440 32.922 32.500 -0.030 0.000 0.997 528 K HN -0.012 nan 8.250 nan 0.000 0.510 529 E N 0.939 121.159 120.200 0.033 0.000 2.201 529 E HA 0.059 4.409 4.350 0.002 0.000 0.193 529 E C -0.290 176.344 176.600 0.056 0.000 0.957 529 E CA 0.881 57.308 56.400 0.046 0.000 0.858 529 E CB 0.529 30.251 29.700 0.037 0.000 0.816 529 E HN 0.368 nan 8.360 nan 0.000 0.475 530 K N 0.269 120.700 120.400 0.051 0.000 2.571 530 K HA 0.434 4.755 4.320 0.002 0.000 0.252 530 K C -1.369 175.269 176.600 0.062 0.000 0.956 530 K CA -0.330 55.997 56.287 0.066 0.000 0.822 530 K CB 2.959 35.496 32.500 0.062 0.000 1.286 530 K HN -0.235 nan 8.250 nan 0.000 0.439 531 V N 2.901 122.862 119.914 0.079 0.000 2.638 531 V HA 0.384 4.505 4.120 0.002 0.000 0.306 531 V C -1.507 174.665 176.094 0.131 0.000 1.052 531 V CA -0.904 61.431 62.300 0.060 0.000 0.885 531 V CB 1.661 33.475 31.823 -0.016 0.000 0.999 531 V HN 0.708 nan 8.190 nan 0.000 0.424 532 Y N 5.353 125.652 120.300 -0.002 0.000 2.350 532 Y HA 0.781 5.332 4.550 0.001 0.000 0.338 532 Y C -1.174 174.723 175.900 -0.005 0.000 0.961 532 Y CA -1.128 56.977 58.100 0.008 0.000 1.100 532 Y CB 1.760 40.226 38.460 0.010 0.000 1.179 532 Y HN 0.591 nan 8.280 nan 0.000 0.454 533 L N 5.944 126.798 121.223 -0.616 0.000 2.333 533 L HA 0.941 5.282 4.340 0.002 0.000 0.280 533 L C -1.152 175.359 176.870 -0.598 0.000 1.004 533 L CA -0.410 54.168 54.840 -0.437 0.000 0.820 533 L CB 1.282 43.210 42.059 -0.219 0.000 1.247 533 L HN 0.762 nan 8.230 nan 0.000 0.416 534 A N 3.917 126.521 122.820 -0.360 0.000 2.469 534 A HA 0.746 5.067 4.320 0.002 0.000 0.299 534 A C -2.171 175.434 177.584 0.036 0.000 1.098 534 A CA -0.570 51.360 52.037 -0.177 0.000 0.737 534 A CB 1.029 19.976 19.000 -0.089 0.000 1.312 534 A HN 0.798 nan 8.150 nan 0.000 0.414 535 W N 1.524 122.775 121.300 -0.081 0.000 2.632 535 W HA 0.607 5.268 4.660 0.001 0.000 0.328 535 W C -1.101 175.415 176.519 -0.005 0.000 1.044 535 W CA -0.566 56.755 57.345 -0.041 0.000 1.225 535 W CB 1.873 31.312 29.460 -0.035 0.000 1.396 535 W HN 1.005 nan 8.180 nan 0.000 0.499 536 V N 4.166 123.519 119.914 -0.935 0.000 2.888 536 V HA 0.688 4.809 4.120 0.002 0.000 0.309 536 V C -2.637 172.674 176.094 -1.304 0.000 1.114 536 V CA -2.746 58.961 62.300 -0.988 0.000 0.940 536 V CB 1.455 33.057 31.823 -0.368 0.000 1.021 536 V HN 0.546 nan 8.190 nan 0.000 0.426 537 P HA 0.000 nan 4.420 nan 0.000 0.216 537 P CA 0.000 62.752 63.100 -0.579 0.000 0.800 537 P CB 0.000 31.525 31.700 -0.292 0.000 0.726